A0A077Z7H3_TRITR Loading...

tRNA N(3)-methylcytidine methyltransferase

S-adenosyl-L-methionine-dependent methyltransferase.

AlphaFold DB , UniProt , Accession A0A077Z7H3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 306 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
1M37.3Very low41.5Very low229 Ų229167.7 Ų167.7100%1.12882%0.819SS**  0115.60-66.2176.872.600106.4L3M1-L3 PolarHBondContact O-N 3.21Å
2P38Very low43.5Very low124 Ų124170.6 Ų170.681%0.80581%0.814SS**  trans-64.5133.1176.2-8.224.5000107.5E4P2-E4 PolarHBondContact O-N 2.85Å; P2-E4 VanDerWaalsContact O-N 3.12Å
3L36.6Very low46.3Very low166 Ų166162.6 Ų162.687%0.86979%0.785SS**  trans-52.6117.8175.4-66.5157.5000107.5M1 E5M1-L3 PolarHBondContact O-N 3.21Å; L3-E5 VanDerWaalsContact C-N 3.26Å; L3-E5 PolarHBondContact O-N 3.07Å
4E36.9Very low49Very low177 Ų177155.8 Ų155.883%0.82775%0.752SS**  trans-57.9100165.3-71.6175.817300105.5P2 H6P2-E4 PolarHBondContact O-N 2.85Å; P2-E4 VanDerWaalsContact O-N 3.12Å; E4-H6 VanDerWaalsContact C-N 3.28Å; E4-H6 PolarHBondContact O-N 3.37Å
5E34Very low51.3Low182 Ų182147.3 Ų147.385%0.8571%0.71SS**  trans-54.9106.3164.1-77.7-175162.200104.6L3 E7L3-E5 VanDerWaalsContact C-N 3.26Å; L3-E5 PolarHBondContact O-N 3.07Å; E5-E7 PolarHBondContact O-N 3.4Å
6H35Very low53.2Low177 Ų177139.6 Ų139.682%0.81968%0.681SS**  trans-52.995.2161.1-76.3-77.1000105.3E4 N8E4-H6 VanDerWaalsContact C-N 3.28Å; E4-H6 PolarHBondContact O-N 3.37Å; H6-N8 PolarHBondContact O-N 3.3Å
7E37.1Very low55Low185 Ų185136.7 Ų136.786%0.86468%0.678SS**  trans-5877.5151.5-80.6-166.6153.200104.8E5 S9E5-E7 PolarHBondContact O-N 3.4Å; E7-S9 PolarHBondContact O-N 2.95Å
8N42.5Very low56.8Low137 Ų137133.1 Ų133.173%0.73366%0.655SS**  trans-63.988.2164.1-160.34.8000102.1H6 R10H6-N8 PolarHBondContact O-N 3.3Å; N8-R10 WeakPolarHBondContact O-CA 3.39Å; N8-R10 PolarHBondContact O-N 3.19Å
9S45.2Very low58.5Low83 Ų83130.8 Ų130.858%0.5865%0.65SS**  trans-37.6105.2-178.255.70000106E7 K11E7-S9 PolarHBondContact O-N 2.95Å; S9-K11 PolarHBondContact O-N 3.32Å
10R52.2Low59.9Low244 Ų244126.1 Ų126.192%0.92163%0.627SS**  trans-67.485.2-170.7-80.2-178.7178173.8-0.2106.2N8 R12N8-R10 WeakPolarHBondContact O-CA 3.39Å; N8-R10 PolarHBondContact O-N 3.19Å; R10-R12 PolarHBondContact O-N 2.97Å; R10-R12 VanDerWaalsContact O-N 3.17Å
11K61.8Low61.2Low141 Ų141129.3 Ų129.361%0.61364%0.637SS**PPolyproline II helixtrans-55.4125.1175.9-72.6-174.1179.1-177.50105.4S9S9-K11 PolarHBondContact O-N 3.32Å
12R65.7Low63.4Low202 Ų202122.2 Ų122.276%0.76260%0.604SS**PPolyproline II helixtrans-56.3129.2174.9-72.8-177.6176.3171.11.4107R10 T93R10-R12 PolarHBondContact O-N 2.97Å; R10-R12 VanDerWaalsContact O-N 3.17Å; R12-T93 HydrophobicContact CB-CG2 3.93Å
13P80.2Confident65.7Low67 Ų67121.5 Ų121.544%0.43559%0.59SS.*PPolyproline II helixtrans-61.6146.9178.624.5-31.8000109.8F15 G16P13-F15 PolarHBondContact O-N 3.41Å; P13-G16 PolarHBondContact O-N 3.44Å
14Q83.7Confident68.1Low67 Ų67120.5 Ų120.531%0.31359%0.585SS.*THydrogen-bonded Turntrans-55.1134.1172-163.5-175.324.700108.5G16 E94Q14-G16 PolarHBondContact O-N 2.9Å; Q14-E94 PolarHBondContact NE2-O 3.38Å
15F82.7Confident70.6Confident29 Ų29115 Ų11513%0.12756%0.561CS.*THydrogen-bonded Turntrans6613.9-175.7-40.7-64.2000116.7P13 D33 N34 E94 F277 H279 Q300P13-F15 PolarHBondContact O-N 3.41Å; F15-D33 WeakPolarHBondContact O-CB 3.28Å; F15-N34 PolarHBondContact O-ND2 3.14Å; F15-E94 WeakPolarHBondContact CD1-OE2 3.11Å; F15-F277 HydrophobicContact CE1-CE2 4.41Å; F15-F277 HydrophobicContact CZ-CD2 4.23Å; F15-F277 AromaticContact CZ-CE2 3.72Å; F15-F277 HydrophobicContact CZ-CE2 3.72Å; F15-F277 HydrophobicContact CZ-CZ 4.33Å; F15-H279 HydrophobicContact CD1-CB 4.46Å; F15-H279 AromaticContact CD1-CD2 3.22Å; F15-H279 WeakPolarHBondContact CD1-CD2 3.49Å; F15-H279 AromaticContact CD1-CG 3.99Å; F15-H279 AromaticContact CD1-NE2 3.85Å; F15-H279 HydrophobicContact CE1-CB 3.74Å; F15-H279 AromaticContact CE1-CD2 3.38Å; F15-H279 WeakPolarHBondContact CE1-CD2 3.38Å; F15-H279 AromaticContact CE1-CG 3.76Å; F15-H279 HydrophobicContact CE2-CB 4.25Å; F15-H279 AromaticContact CG-CD2 3.6Å; F15-H279 AromaticContact CG-NE2 3.8Å; F15-H279 HydrophobicContact CZ-CB 3.63Å; F15-H279 AromaticContact CZ-CD2 3.94Å; F15-H279 AromaticContact CZ-CG 3.87Å; F15-Q300 HydrophobicContact CE1-CB 4.47Å; F15-Q300 HydrophobicContact CE1-CG 4.48Å
16G82.1Confident73.1Confident24 Ų24106.3 Ų106.325%0.24752%0.521CS..  trans79.9-179.4169.800000115P13 Q14 D33P13-G16 PolarHBondContact O-N 3.44Å; Q14-G16 PolarHBondContact O-N 2.9Å; G16-D33 WeakPolarHBondContact CA-OD2 3.41Å
17S84.1Confident75.5Confident90 Ų90100.8 Ų100.863%0.62950%0.495SS*.SBendtrans-1404.5-172.367.10000113.6T19 D33S17-T19 PolarHBondContact O-N 3.17Å; S17-D33 PolarHBondContact N-OD2 3.05Å; S17-D33 VanDerWaalsContact N-OD2 3.1Å
18R87.1Confident77.9Confident71 Ų7196.9 Ų96.927%0.26848%0.479SS..  trans-96.687.8-177.8-63166.7-64.6174.77.4109N30 A31 W32 D33R18-N30 PolarHBondContact NH1-OD1 2.62Å; R18-N30 VanDerWaalsContact NH1-OD1 3.09Å; R18-A31 VanDerWaalsContact CZ-O 3.26Å; R18-A31 PolarHBondContact NE-O 3.26Å; R18-A31 PolarHBondContact NH1-O 2.8Å; R18-W32 HydrophobicContact CB-CE3 4.08Å; R18-W32 CarbonylContact O-C 3.59Å; R18-W32 WeakPolarHBondContact O-CA 3.02Å; R18-D33 WeakPolarHBondContact CB-OD2 3.23Å; R18-D33 IonicContact CZ-OD1 3.85Å; R18-D33 IonicContact CZ-OD2 3.65Å; R18-D33 PolarHBondContact N-OD2 2.94Å; R18-D33 IonicContact NE-OD1 3.9Å; R18-D33 IonicContact NE-OD2 3.99Å; R18-D33 PolarHBondContact NE-OD2 2.94Å; R18-D33 IonicContact NH2-OD1 2.84Å; R18-D33 PolarHBondContact NH2-OD1 2.54Å; R18-D33 IonicContact NH2-OD2 3.2Å; R18-D33 PolarHBondContact O-N 3.23Å
19T88.5Confident80Confident90 Ų9094 Ų9455%0.55246%0.461SS*.  trans-87.1122.6176.6-53.80000110.2S17 K21 W32S17-T19 PolarHBondContact O-N 3.17Å; T19-K21 PolarHBondContact O-N 2.97Å; T19-W32 VanDerWaalsContact C-CE3 3.42Å; T19-W32 VanDerWaalsContact O-CZ3 3.25Å; T19-W32 WeakPolarHBondContact O-CZ3 3.32Å
20L88.2Confident82Confident37 Ų3794.9 Ų94.919%0.19446%0.459CS..  trans-74.4116.5173.8-176.871.5000108.5D22 D25 I26 W32 V35 L284L20-D22 WeakPolarHBondContact CD1-O 3.41Å; L20-D25 HydrophobicContact CD1-CB 4.25Å; L20-I26 HydrophobicContact CD1-CB 4.49Å; L20-I26 HydrophobicContact CD1-CG1 3.82Å; L20-I26 HydrophobicContact CD2-CD1 4.23Å; L20-I26 HydrophobicContact CD2-CG1 3.57Å; L20-I26 HydrophobicContact CG-CG1 4.33Å; L20-W32 VanDerWaalsContact CA-CE3 3.41Å; L20-W32 HydrophobicContact CB-CB 4.04Å; L20-W32 HydrophobicContact CB-CD2 3.75Å; L20-W32 HydrophobicContact CB-CE3 3.76Å; L20-W32 HydrophobicContact CB-CG 3.89Å; L20-W32 HydrophobicContact CB-CZ3 4.39Å; L20-W32 HydrophobicContact CD1-CD2 3.7Å; L20-W32 HydrophobicContact CD1-CE3 4.12Å; L20-W32 HydrophobicContact CD1-CG 4.13Å; L20-W32 HydrophobicContact CD1-CH2 4.12Å; L20-W32 HydrophobicContact CD1-CZ2 3.77Å; L20-W32 HydrophobicContact CD1-CZ3 4.3Å; L20-W32 HydrophobicContact CG-CD2 4.33Å; L20-W32 HydrophobicContact CG-CG 4.49Å; L20-W32 VanDerWaalsContact N-CE3 3.25Å; L20-V35 HydrophobicContact CB-CG2 4.47Å; L20-L284 HydrophobicContact CD2-CD2 4.12Å
21K85.9Confident83.8Confident193 Ų19383.6 Ų83.684%0.83942%0.419SS*.  trans-100.4-36.7179.6-65.8-176.1179.9-178.70112.7T19T19-K21 PolarHBondContact O-N 2.97Å
22D84.8Confident85.2Confident81 Ų8177.5 Ų77.543%0.43339%0.391SS..  trans-122.8140.6-179.7-160.1-41.5000109.7L20 D24 D25L20-D22 WeakPolarHBondContact CD1-O 3.41Å; D22-D24 PolarHBondContact O-N 2.96Å; D22-D24 PolarHBondContact OD1-N 3.21Å; D22-D25 HydrophobicContact CB-CB 4.45Å; D22-D25 WeakPolarHBondContact O-CB 3.45Å; D22-D25 PolarHBondContact O-N 3.33Å
23E84.5Confident86.5Confident109 Ų10968 Ų6851%0.50936%0.356SS..G310 helixtrans-67.9-25.9176-69.5-150.3160.200112.5D25 I26E23-D25 PolarHBondContact O-N 3.21Å; E23-I26 HydrophobicContact CB-CD1 4.03Å; E23-I26 HydrophobicContact CG-CD1 4.35Å; E23-I26 WeakPolarHBondContact O-CB 3.49Å; E23-I26 VanDerWaalsContact O-CD1 3.25Å; E23-I26 WeakPolarHBondContact O-CD1 3.47Å; E23-I26 WeakPolarHBondContact O-CG1 3.32Å; E23-I26 PolarHBondContact O-N 2.94Å
24D88.4Confident86.9Confident144 Ų14467.6 Ų67.677%0.7735%0.35SS*.G310 helixtrans-66.7-23.3176.2-71.9-21.6000111.7D22 I26D22-D24 PolarHBondContact O-N 2.96Å; D22-D24 PolarHBondContact OD1-N 3.21Å; D24-I26 VanDerWaalsContact C-N 3.34Å; D24-I26 PolarHBondContact O-N 2.73Å
25D88.6Confident87.2Confident61 Ų6165.1 Ų65.133%0.32634%0.34SS..G310 helixtrans-83.1-6.3179.8-72.2-23.1000113.6L20 D22 E23 F27 L28 W32L20-D25 HydrophobicContact CD1-CB 4.25Å; D22-D25 HydrophobicContact CB-CB 4.45Å; D22-D25 WeakPolarHBondContact O-CB 3.45Å; D22-D25 PolarHBondContact O-N 3.33Å; E23-D25 PolarHBondContact O-N 3.21Å; D25-F27 PolarHBondContact O-N 2.72Å; D25-L28 HydrophobicContact CB-CD1 3.76Å; D25-L28 HydrophobicContact CB-CG 4.19Å; D25-L28 WeakPolarHBondContact O-CB 3.33Å; D25-L28 WeakPolarHBondContact O-CG 3.44Å; D25-L28 PolarHBondContact O-N 3.36Å; D25-L28 VanDerWaalsContact OD1-CD1 3.26Å; D25-L28 WeakPolarHBondContact OD1-CD1 3.12Å; D25-W32 HydrophobicContact CB-CH2 4.32Å; D25-W32 HydrophobicContact CB-CZ2 4.3Å; D25-W32 WeakPolarHBondContact O-CZ2 3.48Å
26I86.3Confident87.4Confident1 Ų172 Ų721%0.00537%0.372CS..THydrogen-bonded Turntrans-48.3-34.8-170.2-78.6169.5000113.5L20 E23 D24 W32 L284 V286 R293L20-I26 HydrophobicContact CD1-CB 4.49Å; L20-I26 HydrophobicContact CD1-CG1 3.82Å; L20-I26 HydrophobicContact CD2-CD1 4.23Å; L20-I26 HydrophobicContact CD2-CG1 3.57Å; L20-I26 HydrophobicContact CG-CG1 4.33Å; E23-I26 HydrophobicContact CB-CD1 4.03Å; E23-I26 HydrophobicContact CG-CD1 4.35Å; E23-I26 WeakPolarHBondContact O-CB 3.49Å; E23-I26 VanDerWaalsContact O-CD1 3.25Å; E23-I26 WeakPolarHBondContact O-CD1 3.47Å; E23-I26 WeakPolarHBondContact O-CG1 3.32Å; E23-I26 PolarHBondContact O-N 2.94Å; D24-I26 VanDerWaalsContact C-N 3.34Å; D24-I26 PolarHBondContact O-N 2.73Å; I26-W32 PolarHBondContact O-NE1 2.7Å; I26-L284 HydrophobicContact CG1-CD2 4.28Å; I26-L284 HydrophobicContact CG2-CD2 4.14Å; I26-V286 HydrophobicContact CG2-CG1 3.69Å; I26-R293 VanDerWaalsContact CD1-CZ 3.47Å; I26-R293 HydrophobicContact CG2-CG 4.34Å
27F87Confident87.5Confident60 Ų6073.2 Ų73.226%0.26337%0.369SS..THydrogen-bonded Turntrans-94.70.9-176.6-61.2-75.6000115.2D25 V286 R288 L291D25-F27 PolarHBondContact O-N 2.72Å; F27-V286 HydrophobicContact CD1-CB 4.11Å; F27-V286 HydrophobicContact CD1-CG1 4.46Å; F27-V286 HydrophobicContact CD1-CG2 4.36Å; F27-V286 HydrophobicContact CE1-CB 4.26Å; F27-V286 HydrophobicContact CE1-CG1 4.47Å; F27-R288 HydrophobicContact CD1-CG 4.39Å; F27-R288 WeakPolarHBondContact O-CD 3.28Å; F27-R288 VanDerWaalsContact O-CZ 3.3Å; F27-R288 PolarHBondContact O-NE 2.84Å; F27-R288 PolarHBondContact O-NH1 3.48Å; F27-L291 HydrophobicContact CD1-CD2 4.22Å; F27-L291 HydrophobicContact CD2-CD2 4.46Å; F27-L291 HydrophobicContact CE1-CB 4.32Å; F27-L291 HydrophobicContact CE1-CD2 3.91Å; F27-L291 HydrophobicContact CE2-CD2 4.15Å; F27-L291 HydrophobicContact CG-CD2 4.47Å; F27-L291 HydrophobicContact CZ-CB 4.08Å; F27-L291 HydrophobicContact CZ-CD2 3.86Å
28L87.2Confident87.6Confident103 Ų10372.5 Ų72.554%0.53936%0.359SS..THydrogen-bonded Turntrans-66.9-38.2176.3-65.2-175.5000112.4D25 W32 R288D25-L28 HydrophobicContact CB-CD1 3.76Å; D25-L28 HydrophobicContact CB-CG 4.19Å; D25-L28 WeakPolarHBondContact O-CB 3.33Å; D25-L28 WeakPolarHBondContact O-CG 3.44Å; D25-L28 PolarHBondContact O-N 3.36Å; D25-L28 VanDerWaalsContact OD1-CD1 3.26Å; D25-L28 WeakPolarHBondContact OD1-CD1 3.12Å; L28-W32 HydrophobicContact CB-CZ2 4.22Å; L28-R288 VanDerWaalsContact O-CZ 3.3Å; L28-R288 PolarHBondContact O-NH1 2.88Å; L28-R288 PolarHBondContact O-NH2 3.48Å
29H85.4Confident87.7Confident78 Ų7873.3 Ų73.336%0.36138%0.38SS..SBendtrans-110.9160.7176-62.6-39.7000111.5A31 W32 V286 R288H29-A31 VanDerWaalsContact C-N 3.33Å; H29-W32 HydrophobicContact CB-CD2 4.44Å; H29-W32 HydrophobicContact CB-CZ2 3.95Å; H29-W32 AromaticContact CD2-CH2 3.25Å; H29-W32 WeakPolarHBondContact CD2-CH2 3.46Å; H29-W32 AromaticContact CD2-CZ2 3.54Å; H29-W32 AromaticContact CD2-CZ3 3.54Å; H29-W32 AromaticContact CG-CZ2 4Å; H29-W32 AromaticContact NE2-CH2 3.98Å; H29-V286 WeakPolarHBondContact O-CG2 3.48Å; H29-R288 PolarHBondContact O-NH2 2.78Å
30N87.3Confident87.8Confident100 Ų10075.2 Ų75.254%0.53538%0.383SS..SBendtrans-81.4-19.6176.563.7-30.3000112.1R18 V286 R288R18-N30 PolarHBondContact NH1-OD1 2.62Å; R18-N30 VanDerWaalsContact NH1-OD1 3.09Å; N30-V286 PolarHBondContact O-N 2.85Å; N30-R288 VanDerWaalsContact N-NH2 3.11Å
31A90.6Very high87.9Confident8 Ų875.9 Ų75.97%0.06638%0.383CS..EExtended strand (participates in β ladder)trans-153.5153.3171.300000111.2R18 H29 R283 L284 Q285R18-A31 VanDerWaalsContact CZ-O 3.26Å; R18-A31 PolarHBondContact NE-O 3.26Å; R18-A31 PolarHBondContact NH1-O 2.8Å; H29-A31 VanDerWaalsContact C-N 3.33Å; A31-R283 HydrophobicContact CB-CG 4.3Å; A31-L284 CarbonylContact C-O 3.59Å; A31-L284 WeakPolarHBondContact CA-O 3.14Å; A31-Q285 HydrophobicContact CB-CG 4.38Å
32W92Very high88.2Confident12 Ų1268.5 Ų68.55%0.04536%0.358CS..EExtended strand (participates in β ladder)trans-123139174.1-59.493.6000109.6R18 T19 L20 D25 I26 L28 H29 V35 R283 L284R18-W32 HydrophobicContact CB-CE3 4.08Å; R18-W32 CarbonylContact O-C 3.59Å; R18-W32 WeakPolarHBondContact O-CA 3.02Å; T19-W32 VanDerWaalsContact C-CE3 3.42Å; T19-W32 VanDerWaalsContact O-CZ3 3.25Å; T19-W32 WeakPolarHBondContact O-CZ3 3.32Å; L20-W32 VanDerWaalsContact CA-CE3 3.41Å; L20-W32 HydrophobicContact CB-CB 4.04Å; L20-W32 HydrophobicContact CB-CD2 3.75Å; L20-W32 HydrophobicContact CB-CE3 3.76Å; L20-W32 HydrophobicContact CB-CG 3.89Å; L20-W32 HydrophobicContact CB-CZ3 4.39Å; L20-W32 HydrophobicContact CD1-CD2 3.7Å; L20-W32 HydrophobicContact CD1-CE3 4.12Å; L20-W32 HydrophobicContact CD1-CG 4.13Å; L20-W32 HydrophobicContact CD1-CH2 4.12Å; L20-W32 HydrophobicContact CD1-CZ2 3.77Å; L20-W32 HydrophobicContact CD1-CZ3 4.3Å; L20-W32 HydrophobicContact CG-CD2 4.33Å; L20-W32 HydrophobicContact CG-CG 4.49Å; L20-W32 VanDerWaalsContact N-CE3 3.25Å; D25-W32 HydrophobicContact CB-CH2 4.32Å; D25-W32 HydrophobicContact CB-CZ2 4.3Å; D25-W32 WeakPolarHBondContact O-CZ2 3.48Å; I26-W32 PolarHBondContact O-NE1 2.7Å; L28-W32 HydrophobicContact CB-CZ2 4.22Å; H29-W32 HydrophobicContact CB-CD2 4.44Å; H29-W32 HydrophobicContact CB-CZ2 3.95Å; H29-W32 AromaticContact CD2-CH2 3.25Å; H29-W32 WeakPolarHBondContact CD2-CH2 3.46Å; H29-W32 AromaticContact CD2-CZ2 3.54Å; H29-W32 AromaticContact CD2-CZ3 3.54Å; H29-W32 AromaticContact CG-CZ2 4Å; H29-W32 AromaticContact NE2-CH2 3.98Å; W32-V35 HydrophobicContact CB-CG2 3.69Å; W32-R283 WeakPolarHBondContact O-CA 3.46Å; W32-R283 WeakPolarHBondContact O-CG 3.46Å; W32-L284 HydrophobicContact CB-CB 4.3Å; W32-L284 PolarHBondContact N-O 3.44Å; W32-L284 PolarHBondContact O-N 2.9Å
33D91.8Very high88.7Confident2 Ų268.5 Ų68.51%0.01136%0.364CS..SBendtrans-100.2142.4-171.2-47.2-52.7000110F15 G16 S17 R18 V35 R283F15-D33 WeakPolarHBondContact O-CB 3.28Å; G16-D33 WeakPolarHBondContact CA-OD2 3.41Å; S17-D33 PolarHBondContact N-OD2 3.05Å; S17-D33 VanDerWaalsContact N-OD2 3.1Å; R18-D33 WeakPolarHBondContact CB-OD2 3.23Å; R18-D33 IonicContact CZ-OD1 3.85Å; R18-D33 IonicContact CZ-OD2 3.65Å; R18-D33 PolarHBondContact N-OD2 2.94Å; R18-D33 IonicContact NE-OD1 3.9Å; R18-D33 IonicContact NE-OD2 3.99Å; R18-D33 PolarHBondContact NE-OD2 2.94Å; R18-D33 IonicContact NH2-OD1 2.84Å; R18-D33 PolarHBondContact NH2-OD1 2.54Å; R18-D33 IonicContact NH2-OD2 3.2Å; R18-D33 PolarHBondContact O-N 3.23Å; D33-V35 VanDerWaalsContact C-N 3.35Å; D33-V35 PolarHBondContact O-N 3.36Å; D33-R283 IonicContact OD1-CZ 3.99Å; D33-R283 IonicContact OD1-NE 3.4Å; D33-R283 PolarHBondContact OD1-NE 2.86Å; D33-R283 IonicContact OD1-NH1 3.66Å; D33-R283 IonicContact OD1-NH2 3.72Å
34N89.6Confident89.2Confident60 Ų6068.8 Ų68.832%0.32137%0.366SS..SBendtrans53.542.9178-49.4-60.5000114.6F15 E36 H279 R282F15-N34 PolarHBondContact O-ND2 3.14Å; N34-E36 PolarHBondContact O-N 3.17Å; N34-H279 PolarHBondContact OD1-CE1 3.07Å; N34-H279 PolarHBondContact OD1-NE2 3.4Å; N34-R282 CarbonylContact C-O 3.54Å; N34-R282 VanDerWaalsContact CA-O 3.28Å; N34-R282 WeakPolarHBondContact CA-O 3.4Å; N34-R282 PolarHBondContact N-O 3.36Å
35V90.2Very high89.5Confident15 Ų1562.1 Ų62.19%0.09133%0.331CS..PPolyproline II helixtrans-67.9120.7179.8177.50000110.4L20 W32 D33 R282 L284 Y295L20-V35 HydrophobicContact CB-CG2 4.47Å; W32-V35 HydrophobicContact CB-CG2 3.69Å; D33-V35 VanDerWaalsContact C-N 3.35Å; D33-V35 PolarHBondContact O-N 3.36Å; V35-R282 PolarHBondContact N-O 3.31Å; V35-R282 VanDerWaalsContact O-CB 3.32Å; V35-R282 WeakPolarHBondContact O-CB 3.26Å; V35-R282 WeakPolarHBondContact O-CD 3.33Å; V35-L284 HydrophobicContact CB-CB 4.37Å; V35-L284 HydrophobicContact CG2-CB 3.72Å; V35-Y295 HydrophobicContact CG1-CE1 4.32Å
36E85Confident89.9Confident173 Ų17361.1 Ų61.181%0.80833%0.331SS*.PPolyproline II helixtrans-72.3148.8175.1-64.5-169.9163.400111.5N34N34-E36 PolarHBondContact O-N 3.17Å
37W84.9Confident90.4Very high49 Ų4963.9 Ų63.919%0.18635%0.354CS..PPolyproline II helixtrans-103.4130.4177.3-72.816.4000108.8R41 A45 Y230 V297W37-R41 HydrophobicContact CD2-CG 4.23Å; W37-R41 HydrophobicContact CE3-CG 4.25Å; W37-A45 HydrophobicContact CH2-CB 4.22Å; W37-A45 HydrophobicContact CZ3-CB 3.63Å; W37-Y230 HydrophobicContact CH2-CG 4.31Å; W37-Y230 WeakPolarHBondContact CH2-O 3.41Å; W37-Y230 VanDerWaalsContact CZ3-CB 3.46Å; W37-Y230 HydrophobicContact CZ3-CD2 4.03Å; W37-Y230 AromaticContact CZ3-CG 3.98Å; W37-Y230 HydrophobicContact CZ3-CG 3.98Å; W37-V297 HydrophobicContact CH2-CG2 4.29Å; W37-V297 HydrophobicContact CZ2-CG2 3.86Å
38N86.4Confident90.8Very high76 Ų7664.4 Ų64.441%0.40636%0.356SS..PPolyproline II helixtrans-71.1164.7167.767.76.6000110.5E40 R41 A42N38-E40 VanDerWaalsContact C-N 3.26Å; N38-E40 PolarHBondContact O-N 3.01Å; N38-R41 PolarHBondContact O-N 2.8Å; N38-R41 WeakPolarHBondContact OD1-CB 3.48Å; N38-R41 PolarHBondContact OD1-N 2.94Å; N38-A42 PolarHBondContact O-N 3.29Å; N38-A42 VanDerWaalsContact O-N 3.11Å
39A89.7Confident91.3Very high88 Ų8860.3 Ų60.373%0.72734%0.335SS*.Hα-helixtrans-60.4-36-178.100000112.7A42 S43A39-A42 PolarHBondContact O-N 3.11Å; A39-S43 WeakPolarHBondContact O-CB 3.23Å; A39-S43 PolarHBondContact O-N 3.47Å
40E90.8Very high91.7Very high129 Ų12962.5 Ų62.560%0.60335%0.349SS*.Hα-helixtrans-61.2-53.5178.1-176.6177.2-160.600111.4N38 A42 S43 E44N38-E40 VanDerWaalsContact C-N 3.26Å; N38-E40 PolarHBondContact O-N 3.01Å; E40-A42 VanDerWaalsContact C-N 3.31Å; E40-A42 PolarHBondContact O-N 2.85Å; E40-S43 WeakPolarHBondContact O-CA 3.47Å; E40-S43 VanDerWaalsContact O-CB 3.32Å; E40-S43 WeakPolarHBondContact O-CB 3.47Å; E40-S43 PolarHBondContact O-N 2.88Å; E40-E44 WeakPolarHBondContact O-CG 3.38Å; E40-E44 PolarHBondContact O-N 3.28Å
41R89.1Confident92.1Very high51 Ų5161.6 Ų61.619%0.19234%0.342CS..Hα-helixtrans-62.7-38.6178.5-178.4168.7-66146.78.5112.5W37 N38 S43 E44 A45 Y295W37-R41 HydrophobicContact CD2-CG 4.23Å; W37-R41 HydrophobicContact CE3-CG 4.25Å; N38-R41 PolarHBondContact O-N 2.8Å; N38-R41 WeakPolarHBondContact OD1-CB 3.48Å; N38-R41 PolarHBondContact OD1-N 2.94Å; R41-S43 VanDerWaalsContact C-N 3.28Å; R41-S43 PolarHBondContact O-N 3.34Å; R41-E44 PolarHBondContact O-N 2.91Å; R41-A45 VanDerWaalsContact O-CB 3.28Å; R41-A45 WeakPolarHBondContact O-CB 3.32Å; R41-A45 PolarHBondContact O-N 3.16Å; R41-Y295 PolarHBondContact NH1-OH 3.03Å; R41-Y295 PolarHBondContact NH2-OH 2.61Å
42A92Very high92.3Very high39 Ų3961.3 Ų61.332%0.32234%0.339SS..Hα-helixtrans-61-41.317500000111.3N38 A39 E40 A46N38-A42 PolarHBondContact O-N 3.29Å; N38-A42 VanDerWaalsContact O-N 3.11Å; A39-A42 PolarHBondContact O-N 3.11Å; E40-A42 VanDerWaalsContact C-N 3.31Å; E40-A42 PolarHBondContact O-N 2.85Å; A42-A46 WeakPolarHBondContact O-CB 3.37Å; A42-A46 PolarHBondContact O-N 3.46Å
43S95.4Very high92.4Very high80 Ų8061.9 Ų61.956%0.55934%0.344SS*.Hα-helixtrans-65.2-46.3175.3-171.40000112.2A39 E40 R41 A45 A46 A47A39-S43 WeakPolarHBondContact O-CB 3.23Å; A39-S43 PolarHBondContact O-N 3.47Å; E40-S43 WeakPolarHBondContact O-CA 3.47Å; E40-S43 VanDerWaalsContact O-CB 3.32Å; E40-S43 WeakPolarHBondContact O-CB 3.47Å; E40-S43 PolarHBondContact O-N 2.88Å; R41-S43 VanDerWaalsContact C-N 3.28Å; R41-S43 PolarHBondContact O-N 3.34Å; S43-A45 VanDerWaalsContact C-N 3.35Å; S43-A45 PolarHBondContact O-N 3.46Å; S43-A46 PolarHBondContact O-N 2.77Å; S43-A47 WeakPolarHBondContact O-CB 3.48Å; S43-A47 PolarHBondContact O-N 2.94Å
44E95.3Very high92.3Very high116 Ų11665.3 Ų65.354%0.54237%0.369SS..Hα-helixtrans-60.2-43.8176.4-70.4-179.8157.800112.1E40 R41 A47 K48E40-E44 WeakPolarHBondContact O-CG 3.38Å; E40-E44 PolarHBondContact O-N 3.28Å; R41-E44 PolarHBondContact O-N 2.91Å; E44-A47 PolarHBondContact O-N 2.91Å; E44-K48 WeakPolarHBondContact O-CB 3.44Å; E44-K48 PolarHBondContact O-N 3.31Å
45A95.9Very high92.5Very high4 Ų466 Ų663%0.03338%0.376CS..Hα-helixtrans-63.3-43.8177.600000111.5W37 R41 S43 K48 V49 Y230 L235W37-A45 HydrophobicContact CH2-CB 4.22Å; W37-A45 HydrophobicContact CZ3-CB 3.63Å; R41-A45 VanDerWaalsContact O-CB 3.28Å; R41-A45 WeakPolarHBondContact O-CB 3.32Å; R41-A45 PolarHBondContact O-N 3.16Å; S43-A45 VanDerWaalsContact C-N 3.35Å; S43-A45 PolarHBondContact O-N 3.46Å; A45-K48 PolarHBondContact O-N 3.12Å; A45-V49 WeakPolarHBondContact O-CG2 3.37Å; A45-V49 PolarHBondContact O-N 3.31Å; A45-Y230 HydrophobicContact CB-CD1 3.88Å; A45-Y230 HydrophobicContact CB-CG 3.99Å; A45-L235 HydrophobicContact CB-CD1 4.05Å; A45-L235 HydrophobicContact CB-CD2 4.04Å
46A96.1Very high92.8Very high40 Ų4069.6 Ų69.633%0.33140%0.395SS..Hα-helixtrans-62.5-46.5175.800000111.9A42 S43 K48 V49 L50 Y230A42-A46 WeakPolarHBondContact O-CB 3.37Å; A42-A46 PolarHBondContact O-N 3.46Å; S43-A46 PolarHBondContact O-N 2.77Å; A46-K48 VanDerWaalsContact C-N 3.27Å; A46-K48 PolarHBondContact O-N 3.09Å; A46-V49 PolarHBondContact O-N 2.95Å; A46-L50 PolarHBondContact O-N 2.96Å; A46-Y230 HydrophobicContact CB-CE1 4.42Å
47A96.6Very high93.3Very high59 Ų5962.4 Ų62.449%0.48836%0.362SS..Hα-helixtrans-59.3-40.1175.900000111.5S43 E44 L50 E51S43-A47 WeakPolarHBondContact O-CB 3.48Å; S43-A47 PolarHBondContact O-N 2.94Å; E44-A47 PolarHBondContact O-N 2.91Å; A47-L50 PolarHBondContact O-N 3.1Å; A47-E51 PolarHBondContact O-N 2.93Å
48K96.4Very high93.7Very high70 Ų7062.7 Ų62.730%0.30437%0.371SS..Hα-helixtrans-70.4-37.5179.1-167.967-170.6171.40112.9E44 A45 A46 L50 E51 N52 L235E44-K48 WeakPolarHBondContact O-CB 3.44Å; E44-K48 PolarHBondContact O-N 3.31Å; A45-K48 PolarHBondContact O-N 3.12Å; A46-K48 VanDerWaalsContact C-N 3.27Å; A46-K48 PolarHBondContact O-N 3.09Å; K48-L50 VanDerWaalsContact C-N 3.34Å; K48-E51 WeakPolarHBondContact CD-OE2 3.04Å; K48-E51 VanDerWaalsContact NZ-CD 3.33Å; K48-E51 IonicContact NZ-OE1 3.43Å; K48-E51 PolarHBondContact NZ-OE1 2.84Å; K48-E51 IonicContact NZ-OE2 2.7Å; K48-E51 PolarHBondContact NZ-OE2 2.87Å; K48-E51 PolarHBondContact O-N 3.25Å; K48-N52 WeakPolarHBondContact CE-OD1 3.4Å; K48-N52 WeakPolarHBondContact O-CB 3.45Å; K48-N52 PolarHBondContact O-N 2.7Å; K48-N52 PolarHBondContact O-ND2 3.24Å; K48-N52 PolarHBondContact O-OD1 2.98Å; K48-L235 HydrophobicContact CB-CD2 4.3Å; K48-L235 WeakPolarHBondContact CE-O 3.44Å; K48-L235 HydrophobicContact CG-CB 4.26Å; K48-L235 VanDerWaalsContact CG-O 3.26Å; K48-L235 WeakPolarHBondContact CG-O 3.22Å
49V96.5Very high94.1Very high17 Ų1764 Ų6410%0.10339%0.386CS..Hα-helixtrans-62.4-43.7173169.80000110.7A45 A46 E51 N52 S53 Y230 Q234 L235A45-V49 WeakPolarHBondContact O-CG2 3.37Å; A45-V49 PolarHBondContact O-N 3.31Å; A46-V49 PolarHBondContact O-N 2.95Å; V49-E51 VanDerWaalsContact C-N 3.32Å; V49-E51 PolarHBondContact O-N 3.17Å; V49-N52 PolarHBondContact O-N 2.76Å; V49-S53 WeakPolarHBondContact O-CB 3.28Å; V49-S53 PolarHBondContact O-N 2.83Å; V49-S53 PolarHBondContact O-OG 3.38Å; V49-Y230 HydrophobicContact CB-CE1 4.35Å; V49-Y230 HydrophobicContact CG2-CD1 3.63Å; V49-Y230 HydrophobicContact CG2-CE1 3.82Å; V49-Q234 HydrophobicContact CG2-CG 4.14Å; V49-L235 HydrophobicContact CG2-CD2 3.81Å
50L95.1Very high94.4Very high124 Ų12467.6 Ų67.665%0.64939%0.388SS*.Hα-helixtrans-62.1-39.8176.4-175.665.5000112.1A46 A47 K48 S53A46-L50 PolarHBondContact O-N 2.96Å; A47-L50 PolarHBondContact O-N 3.1Å; K48-L50 VanDerWaalsContact C-N 3.34Å; L50-S53 PolarHBondContact O-OG 3.26Å
51E95.5Very high94.5Very high82 Ų8266.1 Ų66.138%0.38338%0.381SS..Hα-helixtrans-64.1-43.3174.4-169.2-161.6157.500111.7A47 K48 V49 K239A47-E51 PolarHBondContact O-N 2.93Å; K48-E51 WeakPolarHBondContact CD-OE2 3.04Å; K48-E51 VanDerWaalsContact NZ-CD 3.33Å; K48-E51 IonicContact NZ-OE1 3.43Å; K48-E51 PolarHBondContact NZ-OE1 2.84Å; K48-E51 IonicContact NZ-OE2 2.7Å; K48-E51 PolarHBondContact NZ-OE2 2.87Å; K48-E51 PolarHBondContact O-N 3.25Å; V49-E51 VanDerWaalsContact C-N 3.32Å; V49-E51 PolarHBondContact O-N 3.17Å; E51-K239 IonicContact OE1-NZ 3.5Å
52N94.4Very high94.9Very high1 Ų164.9 Ų64.91%0.00538%0.382CS..Hα-helixtrans-76.4-23.4-175.6-67.7-7.5000112.9K48 V49 S54 Q234 L235 F237 Y248K48-N52 WeakPolarHBondContact CE-OD1 3.4Å; K48-N52 WeakPolarHBondContact O-CB 3.45Å; K48-N52 PolarHBondContact O-N 2.7Å; K48-N52 PolarHBondContact O-ND2 3.24Å; K48-N52 PolarHBondContact O-OD1 2.98Å; V49-N52 PolarHBondContact O-N 2.76Å; N52-S54 VanDerWaalsContact C-N 3.31Å; N52-Q234 PolarHBondContact ND2-O 3.48Å; N52-Q234 VanDerWaalsContact ND2-O 3.07Å; N52-L235 PolarHBondContact ND2-O 2.88Å; N52-F237 HydrophobicContact CB-CB 4.46Å; N52-F237 VanDerWaalsContact CG-O 3.23Å; N52-F237 PolarHBondContact ND2-O 3.05Å; N52-F237 PolarHBondContact OD1-O 2.9Å; N52-F237 VanDerWaalsContact OD1-O 3.11Å; N52-Y248 HydrophobicContact CB-CE1 4.4Å
53S93.1Very high95.1Very high24 Ų2468.3 Ų68.317%0.16839%0.391CS..THydrogen-bonded Turntrans-81.9-7.2177.864.30000113.9V49 L50 P55 L56V49-S53 WeakPolarHBondContact O-CB 3.28Å; V49-S53 PolarHBondContact O-N 2.83Å; V49-S53 PolarHBondContact O-OG 3.38Å; L50-S53 PolarHBondContact O-OG 3.26Å; S53-P55 CarbonylContact O-C 3.58Å; S53-L56 WeakPolarHBondContact O-CD2 3.3Å; S53-L56 PolarHBondContact O-N 2.87Å
54S91.6Very high95.1Very high74 Ų7469.6 Ų69.652%0.51739%0.387SS..SBendtrans-123.3121.9-179.4-170.30000112.7N52N52-S54 VanDerWaalsContact C-N 3.31Å
55P93.3Very high95.3Very high75 Ų7565.8 Ų65.849%0.48737%0.368SS..SBendcis-80.2154.3134.4-35.4000112.2S53S53-P55 CarbonylContact O-C 3.58Å
56L95.2Very high95.3Very high90 Ų9067.3 Ų67.347%0.47137%0.374SS..BIsolated β-bridgetrans-64.1148.6157.8-63.6-179.6000109.1S53 C242S53-L56 WeakPolarHBondContact O-CD2 3.3Å; S53-L56 PolarHBondContact O-N 2.87Å; L56-C242 WeakPolarHBondContact CA-O 3.47Å; L56-C242 HydrophobicContact CD2-CB 3.88Å; L56-C242 VanDerWaalsContact CD2-SG 3.51Å
57I95.4Very high95.3Very high23 Ų2371.7 Ų71.712%0.11839%0.388CS..PPolyproline II helixtrans-69.6162.9169.873.6171000110.5E61 A62 Y65 G240 C242 L243I57-E61 HydrophobicContact CB-CB 4.47Å; I57-E61 HydrophobicContact CD1-CB 3.74Å; I57-E61 HydrophobicContact CG1-CB 4.28Å; I57-A62 HydrophobicContact CD1-CB 4.19Å; I57-A62 HydrophobicContact CG1-CB 4.12Å; I57-Y65 HydrophobicContact CD1-CD2 3.68Å; I57-Y65 HydrophobicContact CD1-CE2 3.59Å; I57-G240 VanDerWaalsContact CG2-O 3.22Å; I57-G240 WeakPolarHBondContact CG2-O 3.26Å; I57-C242 PolarHBondContact N-O 3.29Å; I57-L243 HydrophobicContact CD1-CD2 3.28Å; I57-L243 HydrophobicContact CD1-CG 4.47Å; I57-L243 HydrophobicContact CG1-CD2 4.02Å
58S95.2Very high95.3Very high54 Ų5472 Ų7238%0.37838%0.379SS..PPolyproline II helixtrans-63.8151.2179.167.40000111.7Q60 E61 A62S58-Q60 PolarHBondContact O-N 3.49Å; S58-E61 PolarHBondContact N-OE2 3.45Å; S58-E61 PolarHBondContact O-N 3.39Å; S58-E61 VanDerWaalsContact O-N 3.09Å; S58-E61 WeakPolarHBondContact OG-CB 3.35Å; S58-E61 VanDerWaalsContact OG-CG 3.25Å; S58-E61 WeakPolarHBondContact OG-CG 3.4Å; S58-E61 PolarHBondContact OG-N 3.11Å; S58-E61 PolarHBondContact OG-OE2 3.04Å; S58-A62 PolarHBondContact O-N 3.4Å
59S94.1Very high95.4Very high104 Ų10469.9 Ų69.973%0.72737%0.373SS*.Hα-helixtrans-57.6-35.5178-52.30000112.5A62 E63S59-A62 PolarHBondContact O-N 3.5Å; S59-E63 WeakPolarHBondContact O-CB 3.43Å; S59-E63 PolarHBondContact O-N 3.01Å
60Q95.4Very high95.3Very high163 Ų16371.6 Ų71.676%0.76239%0.386SS*.Hα-helixtrans-64.7-42.4176.4-67.9177.8-4.400112S58 K64S58-Q60 PolarHBondContact O-N 3.49Å; Q60-K64 PolarHBondContact O-N 3.36Å
61E94.2Very high95.4Very high98 Ų9869.8 Ų69.846%0.45838%0.376SS..Hα-helixtrans-69-40.5175.6-70.9172.6106.900111.7I57 S58 E63 K64 Y65I57-E61 HydrophobicContact CB-CB 4.47Å; I57-E61 HydrophobicContact CD1-CB 3.74Å; I57-E61 HydrophobicContact CG1-CB 4.28Å; S58-E61 PolarHBondContact N-OE2 3.45Å; S58-E61 PolarHBondContact O-N 3.39Å; S58-E61 VanDerWaalsContact O-N 3.09Å; S58-E61 WeakPolarHBondContact OG-CB 3.35Å; S58-E61 VanDerWaalsContact OG-CG 3.25Å; S58-E61 WeakPolarHBondContact OG-CG 3.4Å; S58-E61 PolarHBondContact OG-N 3.11Å; S58-E61 PolarHBondContact OG-OE2 3.04Å; E61-E63 VanDerWaalsContact C-N 3.32Å; E61-E63 PolarHBondContact O-N 3.13Å; E61-K64 WeakPolarHBondContact O-CB 3.5Å; E61-K64 PolarHBondContact O-N 3.43Å; E61-Y65 WeakPolarHBondContact O-CD2 3.27Å; E61-Y65 PolarHBondContact O-N 2.85Å; E61-Y65 VanDerWaalsContact O-N 3.08Å
62A95.9Very high95.6Very high26 Ų2667.6 Ų67.622%0.21537%0.365CS..Hα-helixtrans-61.4-42176.500000111.7I57 S58 S59 Y65 E66 L243I57-A62 HydrophobicContact CD1-CB 4.19Å; I57-A62 HydrophobicContact CG1-CB 4.12Å; S58-A62 PolarHBondContact O-N 3.4Å; S59-A62 PolarHBondContact O-N 3.5Å; A62-Y65 PolarHBondContact O-N 3.02Å; A62-E66 PolarHBondContact O-N 2.93Å; A62-L243 HydrophobicContact CB-CD2 4.19Å
63E96Very high95.7Very high111 Ų11168.6 Ų68.652%0.51937%0.369SS..Hα-helixtrans-64.2-40.1175.1-174.4174.7-167.600111.8S59 E61 Y65 E66 Q67S59-E63 WeakPolarHBondContact O-CB 3.43Å; S59-E63 PolarHBondContact O-N 3.01Å; E61-E63 VanDerWaalsContact C-N 3.32Å; E61-E63 PolarHBondContact O-N 3.13Å; E63-Y65 VanDerWaalsContact C-N 3.32Å; E63-Y65 PolarHBondContact O-N 3.45Å; E63-E66 WeakPolarHBondContact O-CB 3.45Å; E63-E66 PolarHBondContact O-N 3.5Å; E63-E66 VanDerWaalsContact O-N 3.09Å; E63-Q67 HydrophobicContact CG-CG 4.24Å; E63-Q67 WeakPolarHBondContact O-CG 3.42Å; E63-Q67 PolarHBondContact O-N 3.31Å; E63-Q67 PolarHBondContact OE1-NE2 3Å
64K97Very high96Very high107 Ų10768.4 Ų68.447%0.46537%0.366SS..Hα-helixtrans-57.6-43.9173.4-179.9-178.3175.6-178.80111.9Q60 E61 E66 Q67 Q68Q60-K64 PolarHBondContact O-N 3.36Å; E61-K64 WeakPolarHBondContact O-CB 3.5Å; E61-K64 PolarHBondContact O-N 3.43Å; K64-E66 VanDerWaalsContact C-N 3.26Å; K64-E66 PolarHBondContact O-N 3.45Å; K64-Q67 PolarHBondContact O-N 3.48Å; K64-Q68 HydrophobicContact CG-CG 4.27Å; K64-Q68 VanDerWaalsContact O-CB 3.31Å; K64-Q68 WeakPolarHBondContact O-CB 3.24Å; K64-Q68 WeakPolarHBondContact O-CG 3.28Å; K64-Q68 PolarHBondContact O-N 2.82Å
65Y97.6Very high96.3Very high36 Ų3668.9 Ų68.914%0.14136%0.36CS..Hα-helixtrans-63.2-31.7176.7-77.2-69.6000113.1I57 E61 A62 E63 S69 Y72 L243 A249I57-Y65 HydrophobicContact CD1-CD2 3.68Å; I57-Y65 HydrophobicContact CD1-CE2 3.59Å; E61-Y65 WeakPolarHBondContact O-CD2 3.27Å; E61-Y65 PolarHBondContact O-N 2.85Å; E61-Y65 VanDerWaalsContact O-N 3.08Å; A62-Y65 PolarHBondContact O-N 3.02Å; E63-Y65 VanDerWaalsContact C-N 3.32Å; E63-Y65 PolarHBondContact O-N 3.45Å; Y65-S69 PolarHBondContact O-N 3.48Å; Y65-Y72 HydrophobicContact CD1-CD2 4.33Å; Y65-Y72 AromaticContact CD1-CE2 3.66Å; Y65-Y72 HydrophobicContact CD1-CE2 3.66Å; Y65-Y72 HydrophobicContact CE1-CE2 4.2Å; Y65-L243 HydrophobicContact CD2-CD2 3.55Å; Y65-L243 HydrophobicContact CE2-CD2 4.23Å; Y65-L243 HydrophobicContact CG-CD2 4.09Å; Y65-A249 HydrophobicContact CD1-CB 3.98Å; Y65-A249 HydrophobicContact CD2-CB 4.16Å; Y65-A249 HydrophobicContact CE1-CB 3.67Å; Y65-A249 HydrophobicContact CE2-CB 3.86Å; Y65-A249 HydrophobicContact CG-CB 4.23Å
66E96.9Very high96.5Very high36 Ų3665.3 Ų65.317%0.16834%0.337CS..Hα-helixtrans-70.9-52.5173.8176.861.3-163.700111.6A62 E63 K64 Q68 S69 N201 K204 R255A62-E66 PolarHBondContact O-N 2.93Å; E63-E66 WeakPolarHBondContact O-CB 3.45Å; E63-E66 PolarHBondContact O-N 3.5Å; E63-E66 VanDerWaalsContact O-N 3.09Å; K64-E66 VanDerWaalsContact C-N 3.26Å; K64-E66 PolarHBondContact O-N 3.45Å; E66-Q68 VanDerWaalsContact C-N 3.31Å; E66-Q68 PolarHBondContact O-N 2.86Å; E66-S69 WeakPolarHBondContact O-CB 3.32Å; E66-S69 PolarHBondContact O-N 2.99Å; E66-S69 PolarHBondContact O-OG 3.18Å; E66-N201 WeakPolarHBondContact OE2-CB 3.44Å; E66-K204 WeakPolarHBondContact OE1-CE 3.4Å; E66-K204 IonicContact OE1-NZ 3.01Å; E66-K204 PolarHBondContact OE1-NZ 3.38Å; E66-R255 IonicContact OE2-CZ 3.85Å; E66-R255 VanDerWaalsContact OE2-CZ 3.23Å; E66-R255 IonicContact OE2-NH1 2.9Å; E66-R255 PolarHBondContact OE2-NH1 3.03Å; E66-R255 IonicContact OE2-NH2 3.9Å; E66-R255 PolarHBondContact OE2-NH2 3.42Å
67Q96.6Very high96.6Very high131 Ų13161.6 Ų61.661%0.61232%0.316SS*.Hα-helixtrans-64.2-34.6-176.8-68.3177.20.300112.6E63 K64E63-Q67 HydrophobicContact CG-CG 4.24Å; E63-Q67 WeakPolarHBondContact O-CG 3.42Å; E63-Q67 PolarHBondContact O-N 3.31Å; E63-Q67 PolarHBondContact OE1-NE2 3Å; K64-Q67 PolarHBondContact O-N 3.48Å
68Q97Very high96.7Very high66 Ų6666.2 Ų66.231%0.30833%0.332SS..THydrogen-bonded Turntrans-96.79.9-178.5-60.7-170-28.500113.5K64 E66 S70 L71 Y72K64-Q68 HydrophobicContact CG-CG 4.27Å; K64-Q68 VanDerWaalsContact O-CB 3.31Å; K64-Q68 WeakPolarHBondContact O-CB 3.24Å; K64-Q68 WeakPolarHBondContact O-CG 3.28Å; K64-Q68 PolarHBondContact O-N 2.82Å; E66-Q68 VanDerWaalsContact C-N 3.31Å; E66-Q68 PolarHBondContact O-N 2.86Å; Q68-S70 VanDerWaalsContact C-N 3.27Å; Q68-S70 PolarHBondContact O-N 3.46Å; Q68-L71 HydrophobicContact CB-CD1 4.35Å; Q68-L71 HydrophobicContact CG-CD1 4.32Å; Q68-L71 WeakPolarHBondContact O-CB 3.42Å; Q68-L71 PolarHBondContact O-N 3.4Å; Q68-Y72 HydrophobicContact CB-CD2 4.1Å; Q68-Y72 HydrophobicContact CB-CE2 3.68Å; Q68-Y72 VanDerWaalsContact O-CD2 3.24Å; Q68-Y72 WeakPolarHBondContact O-CD2 3.27Å; Q68-Y72 PolarHBondContact O-N 2.99Å; Q68-Y72 PolarHBondContact OE1-OH 2.79Å
69S96.6Very high96.8Very high25 Ų2570.9 Ų70.918%0.17534%0.341CS..Hα-helixtrans-53.7-41.3-176.3540000113.3Y65 E66 Y72 W73Y65-S69 PolarHBondContact O-N 3.48Å; E66-S69 WeakPolarHBondContact O-CB 3.32Å; E66-S69 PolarHBondContact O-N 2.99Å; E66-S69 PolarHBondContact O-OG 3.18Å; S69-Y72 PolarHBondContact O-N 2.78Å; S69-W73 PolarHBondContact O-N 2.92Å
70S95.4Very high96.9Very high54 Ų5468.6 Ų68.638%0.37832%0.319SS..Hα-helixtrans-61.1-46.4174.356.30000113.5Q68 Y72 W73 D74Q68-S70 VanDerWaalsContact C-N 3.27Å; Q68-S70 PolarHBondContact O-N 3.46Å; S70-Y72 VanDerWaalsContact C-N 3.33Å; S70-Y72 PolarHBondContact O-N 3.35Å; S70-W73 PolarHBondContact O-N 3.23Å; S70-D74 VanDerWaalsContact O-CB 3.31Å; S70-D74 WeakPolarHBondContact O-CB 3.48Å; S70-D74 PolarHBondContact O-N 2.81Å
71L97.4Very high96.9Very high86 Ų8667.9 Ų67.945%0.4531%0.31SS..Hα-helixtrans-59-44177.1-77.3158.1000111.6Q68 D74 E75Q68-L71 HydrophobicContact CB-CD1 4.35Å; Q68-L71 HydrophobicContact CG-CD1 4.32Å; Q68-L71 WeakPolarHBondContact O-CB 3.42Å; Q68-L71 PolarHBondContact O-N 3.4Å; L71-D74 PolarHBondContact O-N 3Å; L71-E75 WeakPolarHBondContact O-CB 3.48Å; L71-E75 WeakPolarHBondContact O-CG 3.33Å; L71-E75 PolarHBondContact O-N 2.73Å
72Y98.3Very high96.8Very high35 Ų3566.4 Ų66.414%0.13731%0.309CS..Hα-helixtrans-64.1-42.7-179-70.4-53.1000113.2Y65 Q68 S69 S70 F76 D252 G253Y65-Y72 HydrophobicContact CD1-CD2 4.33Å; Y65-Y72 AromaticContact CD1-CE2 3.66Å; Y65-Y72 HydrophobicContact CD1-CE2 3.66Å; Y65-Y72 HydrophobicContact CE1-CE2 4.2Å; Q68-Y72 HydrophobicContact CB-CD2 4.1Å; Q68-Y72 HydrophobicContact CB-CE2 3.68Å; Q68-Y72 VanDerWaalsContact O-CD2 3.24Å; Q68-Y72 WeakPolarHBondContact O-CD2 3.27Å; Q68-Y72 PolarHBondContact O-N 2.99Å; Q68-Y72 PolarHBondContact OE1-OH 2.79Å; S69-Y72 PolarHBondContact O-N 2.78Å; S70-Y72 VanDerWaalsContact C-N 3.33Å; S70-Y72 PolarHBondContact O-N 3.35Å; Y72-F76 VanDerWaalsContact O-CB 3.29Å; Y72-F76 WeakPolarHBondContact O-CB 3.4Å; Y72-F76 PolarHBondContact O-N 2.97Å; Y72-D252 WeakPolarHBondContact CD1-O 3.42Å; Y72-G253 WeakPolarHBondContact CD2-O 3.31Å
73W98.2Very high96.5Very high23 Ų2368.6 Ų68.69%0.08734%0.335CS..Hα-helixtrans-72.5-38177.8-79.8105.6000112.5S69 S70 E75 F76 Y77 F148 T254S69-W73 PolarHBondContact O-N 2.92Å; S70-W73 PolarHBondContact O-N 3.23Å; W73-E75 PolarHBondContact O-N 3.28Å; W73-F76 HydrophobicContact CE3-CB 4.43Å; W73-F76 HydrophobicContact CE3-CD1 4.01Å; W73-F76 HydrophobicContact CE3-CG 4.27Å; W73-F76 HydrophobicContact CZ3-CD1 4.03Å; W73-F76 HydrophobicContact CZ3-CE1 4.18Å; W73-F76 HydrophobicContact CZ3-CG 4.4Å; W73-F76 WeakPolarHBondContact O-CB 3.44Å; W73-F76 PolarHBondContact O-N 3Å; W73-Y77 HydrophobicContact CE3-CD2 4.46Å; W73-Y77 AromaticContact CE3-CE2 3.74Å; W73-Y77 HydrophobicContact CE3-CE2 3.74Å; W73-Y77 HydrophobicContact CZ3-CE2 4.36Å; W73-Y77 WeakPolarHBondContact O-CD2 3.39Å; W73-Y77 PolarHBondContact O-N 3.23Å; W73-F148 HydrophobicContact CB-CE1 3.31Å; W73-F148 HydrophobicContact CB-CZ 3.34Å; W73-F148 AromaticContact CD1-CE1 3.33Å; W73-F148 AromaticContact CD1-CZ 3.19Å; W73-F148 HydrophobicContact CD2-CE1 4.15Å; W73-F148 AromaticContact CG-CE1 3.29Å; W73-F148 HydrophobicContact CG-CE1 3.29Å; W73-F148 AromaticContact CG-CZ 3.44Å; W73-F148 HydrophobicContact CG-CZ 3.44Å; W73-F148 VanDerWaalsContact CG-CZ 3.44Å; W73-T254 HydrophobicContact CD2-CG2 3.74Å; W73-T254 HydrophobicContact CE3-CG2 3.89Å; W73-T254 HydrophobicContact CG-CG2 4.17Å; W73-T254 HydrophobicContact CH2-CG2 4.37Å; W73-T254 HydrophobicContact CZ2-CG2 4.23Å; W73-T254 HydrophobicContact CZ3-CG2 4.19Å
74D97.8Very high96.4Very high19 Ų1968.1 Ų68.110%0.10233%0.331CS..Hα-helixtrans-58.8-47.2171.5-94.113.1000112.1S70 L71 F76 Y77 R78 S149 P150 V151S70-D74 VanDerWaalsContact O-CB 3.31Å; S70-D74 WeakPolarHBondContact O-CB 3.48Å; S70-D74 PolarHBondContact O-N 2.81Å; L71-D74 PolarHBondContact O-N 3Å; D74-F76 VanDerWaalsContact C-N 3.31Å; D74-F76 PolarHBondContact O-N 2.76Å; D74-Y77 PolarHBondContact O-N 2.91Å; D74-R78 WeakPolarHBondContact O-CB 3.37Å; D74-R78 VanDerWaalsContact O-CG 3.29Å; D74-R78 WeakPolarHBondContact O-CG 3.48Å; D74-R78 PolarHBondContact O-N 3Å; D74-R78 IonicContact OD2-CZ 3.47Å; D74-R78 IonicContact OD2-NH2 3.05Å; D74-R78 PolarHBondContact OD2-NH2 2.98Å; D74-S149 WeakPolarHBondContact OD1-CB 3.22Å; D74-S149 PolarHBondContact OD1-OG 2.88Å; D74-P150 WeakPolarHBondContact OD1-CD 3.2Å; D74-V151 HydrophobicContact CB-CG2 4.14Å
75E98.1Very high96.3Very high84 Ų8465.2 Ų65.239%0.39332%0.319SS..Hα-helixtrans-61.6-40.7174.8-77.8-173.2-174.200112.1L71 W73 R78 R79L71-E75 WeakPolarHBondContact O-CB 3.48Å; L71-E75 WeakPolarHBondContact O-CG 3.33Å; L71-E75 PolarHBondContact O-N 2.73Å; W73-E75 PolarHBondContact O-N 3.28Å; E75-R78 PolarHBondContact O-N 3.29Å; E75-R79 VanDerWaalsContact O-CB 3.24Å; E75-R79 WeakPolarHBondContact O-CB 3.43Å; E75-R79 PolarHBondContact O-N 3.3Å
76F98Very high96.2Very high1 Ų172 Ų720%0.00435%0.349CS..Hα-helixtrans-57.5-49.5175.5175.5-84.6000111Y72 W73 D74 R79 H80 F84 F85 D252 T254Y72-F76 VanDerWaalsContact O-CB 3.29Å; Y72-F76 WeakPolarHBondContact O-CB 3.4Å; Y72-F76 PolarHBondContact O-N 2.97Å; W73-F76 HydrophobicContact CE3-CB 4.43Å; W73-F76 HydrophobicContact CE3-CD1 4.01Å; W73-F76 HydrophobicContact CE3-CG 4.27Å; W73-F76 HydrophobicContact CZ3-CD1 4.03Å; W73-F76 HydrophobicContact CZ3-CE1 4.18Å; W73-F76 HydrophobicContact CZ3-CG 4.4Å; W73-F76 WeakPolarHBondContact O-CB 3.44Å; W73-F76 PolarHBondContact O-N 3Å; D74-F76 VanDerWaalsContact C-N 3.31Å; D74-F76 PolarHBondContact O-N 2.76Å; F76-R79 PolarHBondContact O-N 2.96Å; F76-H80 AromaticContact CD2-CE1 3.48Å; F76-H80 VanDerWaalsContact CD2-CE1 3.48Å; F76-H80 WeakPolarHBondContact CD2-CE1 3.3Å; F76-H80 AromaticContact CD2-ND1 3.43Å; F76-H80 WeakPolarHBondContact CD2-ND1 3.5Å; F76-H80 AromaticContact CE2-CE1 3.56Å; F76-H80 AromaticContact CE2-ND1 3.51Å; F76-H80 AromaticContact CG-ND1 3.71Å; F76-H80 AromaticContact CZ-ND1 3.85Å; F76-H80 PolarHBondContact O-N 2.66Å; F76-H80 PolarHBondContact O-ND1 3.02Å; F76-F84 HydrophobicContact CE1-CD1 4.4Å; F76-F84 HydrophobicContact CE1-CG 4.39Å; F76-F84 HydrophobicContact CE2-CD1 4.24Å; F76-F84 HydrophobicContact CE2-CD2 4.12Å; F76-F84 HydrophobicContact CE2-CE1 4.07Å; F76-F84 AromaticContact CE2-CE2 3.96Å; F76-F84 HydrophobicContact CE2-CE2 3.96Å; F76-F84 HydrophobicContact CE2-CG 4.24Å; F76-F84 AromaticContact CE2-CZ 3.92Å; F76-F84 HydrophobicContact CE2-CZ 3.92Å; F76-F84 HydrophobicContact CZ-CB 4.14Å; F76-F84 AromaticContact CZ-CD1 3.47Å; F76-F84 HydrophobicContact CZ-CD1 3.47Å; F76-F84 VanDerWaalsContact CZ-CD1 3.47Å; F76-F84 AromaticContact CZ-CD2 3.91Å; F76-F84 HydrophobicContact CZ-CD2 3.91Å; F76-F84 AromaticContact CZ-CE1 3.68Å; F76-F84 HydrophobicContact CZ-CE1 3.68Å; F76-F84 HydrophobicContact CZ-CE2 4.11Å; F76-F84 AromaticContact CZ-CG 3.56Å; F76-F84 HydrophobicContact CZ-CG 3.56Å; F76-F84 AromaticContact CZ-CZ 3.99Å; F76-F84 HydrophobicContact CZ-CZ 3.99Å; F76-F85 HydrophobicContact CE1-CD2 4.49Å; F76-F85 AromaticContact CE1-CE2 3.65Å; F76-F85 HydrophobicContact CE1-CE2 3.65Å; F76-F85 HydrophobicContact CE1-CZ 4.17Å; F76-F85 AromaticContact CZ-CE2 3.77Å; F76-F85 HydrophobicContact CZ-CE2 3.77Å; F76-F85 AromaticContact CZ-CZ 3.86Å; F76-F85 HydrophobicContact CZ-CZ 3.86Å; F76-D252 WeakPolarHBondContact CD2-OD2 3.41Å; F76-T254 HydrophobicContact CB-CG2 4.12Å; F76-T254 HydrophobicContact CD2-CG2 4.31Å; F76-T254 HydrophobicContact CG-CG2 4.36Å
77Y98.3Very high96.2Very high12 Ų1273.7 Ų73.75%0.04736%0.359CS..Hα-helixtrans-72.8-34.1-179.9-71.7-64.7000113.1W73 D74 R79 R81 G124 V125 A152W73-Y77 HydrophobicContact CE3-CD2 4.46Å; W73-Y77 AromaticContact CE3-CE2 3.74Å; W73-Y77 HydrophobicContact CE3-CE2 3.74Å; W73-Y77 HydrophobicContact CZ3-CE2 4.36Å; W73-Y77 WeakPolarHBondContact O-CD2 3.39Å; W73-Y77 PolarHBondContact O-N 3.23Å; D74-Y77 PolarHBondContact O-N 2.91Å; Y77-R79 VanDerWaalsContact C-N 3.3Å; Y77-R79 PolarHBondContact O-N 2.81Å; Y77-R81 VanDerWaalsContact O-CA 3.28Å; Y77-R81 WeakPolarHBondContact O-CA 3.3Å; Y77-R81 PolarHBondContact O-N 3.46Å; Y77-G124 VanDerWaalsContact OH-CA 3.31Å; Y77-G124 WeakPolarHBondContact OH-CA 3.38Å; Y77-V125 HydrophobicContact CD1-CG1 3.64Å; Y77-V125 HydrophobicContact CE1-CG1 3.91Å; Y77-A152 HydrophobicContact CD1-CB 4.16Å; Y77-A152 HydrophobicContact CD2-CB 3.53Å; Y77-A152 HydrophobicContact CE1-CB 4.21Å; Y77-A152 HydrophobicContact CE2-CB 3.59Å; Y77-A152 HydrophobicContact CG-CB 3.83Å
78R97.6Very high96.1Very high120 Ų12069.2 Ų69.245%0.45334%0.336SS..Hα-helixtrans-60.5-42171.3-73.3-178.4-161.4106.912.9111.5D74 E75 R81 V151D74-R78 WeakPolarHBondContact O-CB 3.37Å; D74-R78 VanDerWaalsContact O-CG 3.29Å; D74-R78 WeakPolarHBondContact O-CG 3.48Å; D74-R78 PolarHBondContact O-N 3Å; D74-R78 IonicContact OD2-CZ 3.47Å; D74-R78 IonicContact OD2-NH2 3.05Å; D74-R78 PolarHBondContact OD2-NH2 2.98Å; E75-R78 PolarHBondContact O-N 3.29Å; R78-R81 PolarHBondContact O-NE 3.14Å; R78-V151 HydrophobicContact CG-CG1 3.83Å; R78-V151 HydrophobicContact CG-CG2 4.15Å
79R97.2Very high95.8Very high151 Ų15172 Ų7257%0.5735%0.354SS*.Hα-helixtrans-71.6-45.4-178-176.1175.5-64.4125.75.9112.3E75 F76 Y77E75-R79 VanDerWaalsContact O-CB 3.24Å; E75-R79 WeakPolarHBondContact O-CB 3.43Å; E75-R79 PolarHBondContact O-N 3.3Å; F76-R79 PolarHBondContact O-N 2.96Å; Y77-R79 VanDerWaalsContact C-N 3.3Å; Y77-R79 PolarHBondContact O-N 2.81Å
80H95.9Very high95.6Very high57 Ų5774 Ų7426%0.26436%0.357SS..Hα-helixtrans-101.6-14.8-170.6-52.4104.6000114.9F76 C82 G83 F84F76-H80 AromaticContact CD2-CE1 3.48Å; F76-H80 VanDerWaalsContact CD2-CE1 3.48Å; F76-H80 WeakPolarHBondContact CD2-CE1 3.3Å; F76-H80 AromaticContact CD2-ND1 3.43Å; F76-H80 WeakPolarHBondContact CD2-ND1 3.5Å; F76-H80 AromaticContact CE2-CE1 3.56Å; F76-H80 AromaticContact CE2-ND1 3.51Å; F76-H80 AromaticContact CG-ND1 3.71Å; F76-H80 AromaticContact CZ-ND1 3.85Å; F76-H80 PolarHBondContact O-N 2.66Å; F76-H80 PolarHBondContact O-ND1 3.02Å; H80-C82 PolarHBondContact O-N 3.44Å; H80-G83 PolarHBondContact O-N 2.89Å; H80-F84 HydrophobicContact CB-CB 3.77Å; H80-F84 HydrophobicContact CB-CD2 4.23Å; H80-F84 HydrophobicContact CB-CG 4.4Å; H80-F84 AromaticContact CD2-CD2 3.54Å; H80-F84 AromaticContact CG-CD2 3.74Å; H80-F84 AromaticContact NE2-CD2 3.84Å; H80-F84 AromaticContact NE2-CE2 3.98Å
81R95Very high95.6Very high148 Ų14871.6 Ų71.656%0.55834%0.34SS*.THydrogen-bonded Turntrans51.2-130.5-178.1-53.7-66.4-166.41507.2110.3Y77 R78Y77-R81 VanDerWaalsContact O-CA 3.28Å; Y77-R81 WeakPolarHBondContact O-CA 3.3Å; Y77-R81 PolarHBondContact O-N 3.46Å; R78-R81 PolarHBondContact O-NE 3.14Å
82C91.7Very high95.4Very high66 Ų6669 Ų6945%0.44633%0.325SS..THydrogen-bonded Turntrans-88.5-1.2178.9-500000114H80 V125H80-C82 PolarHBondContact O-N 3.44Å; C82-V125 HydrophobicContact CB-CG2 4.45Å
83G90.4Very high95.1Very high73 Ų7369.4 Ų69.475%0.75333%0.331SS*.SBendtrans-90.7-5.3-166.600000116.3H80H80-G83 PolarHBondContact O-N 2.89Å
84F94.3Very high94.8Very high100 Ų10068.5 Ų68.544%0.43933%0.328SS..SBendtrans-83.9-52.7-172.3-167.2-90.6000113.8F76 H80F76-F84 HydrophobicContact CE1-CD1 4.4Å; F76-F84 HydrophobicContact CE1-CG 4.39Å; F76-F84 HydrophobicContact CE2-CD1 4.24Å; F76-F84 HydrophobicContact CE2-CD2 4.12Å; F76-F84 HydrophobicContact CE2-CE1 4.07Å; F76-F84 AromaticContact CE2-CE2 3.96Å; F76-F84 HydrophobicContact CE2-CE2 3.96Å; F76-F84 HydrophobicContact CE2-CG 4.24Å; F76-F84 AromaticContact CE2-CZ 3.92Å; F76-F84 HydrophobicContact CE2-CZ 3.92Å; F76-F84 HydrophobicContact CZ-CB 4.14Å; F76-F84 AromaticContact CZ-CD1 3.47Å; F76-F84 HydrophobicContact CZ-CD1 3.47Å; F76-F84 VanDerWaalsContact CZ-CD1 3.47Å; F76-F84 AromaticContact CZ-CD2 3.91Å; F76-F84 HydrophobicContact CZ-CD2 3.91Å; F76-F84 AromaticContact CZ-CE1 3.68Å; F76-F84 HydrophobicContact CZ-CE1 3.68Å; F76-F84 HydrophobicContact CZ-CE2 4.11Å; F76-F84 AromaticContact CZ-CG 3.56Å; F76-F84 HydrophobicContact CZ-CG 3.56Å; F76-F84 AromaticContact CZ-CZ 3.99Å; F76-F84 HydrophobicContact CZ-CZ 3.99Å; H80-F84 HydrophobicContact CB-CB 3.77Å; H80-F84 HydrophobicContact CB-CD2 4.23Å; H80-F84 HydrophobicContact CB-CG 4.4Å; H80-F84 AromaticContact CD2-CD2 3.54Å; H80-F84 AromaticContact CG-CD2 3.74Å; H80-F84 AromaticContact NE2-CD2 3.84Å; H80-F84 AromaticContact NE2-CE2 3.98Å
85F94.4Very high94.6Very high47 Ų4767.6 Ų67.621%0.20632%0.323CS..SBendtrans-94.7144.7-174.9-67.3-62.5000110.1F76 N127F76-F85 HydrophobicContact CE1-CD2 4.49Å; F76-F85 AromaticContact CE1-CE2 3.65Å; F76-F85 HydrophobicContact CE1-CE2 3.65Å; F76-F85 HydrophobicContact CE1-CZ 4.17Å; F76-F85 AromaticContact CZ-CE2 3.77Å; F76-F85 HydrophobicContact CZ-CE2 3.77Å; F76-F85 AromaticContact CZ-CZ 3.86Å; F76-F85 HydrophobicContact CZ-CZ 3.86Å; F85-N127 HydrophobicContact CB-CB 4.4Å; F85-N127 WeakPolarHBondContact CB-OD1 3.45Å; F85-N127 PolarHBondContact O-ND2 3.03Å
86K94.5Very high94.4Very high178 Ų17866 Ų6677%0.77432%0.321SS*.PPolyproline II helixtrans-87150.5173.9-63.4-173.4178-172.90111.1R88K86-R88 PolarHBondContact O-NH1 3.49Å
87D96.9Very high94.1Very high72 Ų7268 Ų6839%0.38533%0.33SS..PPolyproline II helixtrans-59.3139.6174-66.2-18.6000113.1N89 N127 P131D87-N89 PolarHBondContact O-N 2.97Å; D87-N127 CarbonylContact C-O 3.47Å; D87-N127 VanDerWaalsContact CA-O 3.3Å; D87-N127 WeakPolarHBondContact CA-O 3.39Å; D87-N127 PolarHBondContact OD1-ND2 2.95Å; D87-P131 HydrophobicContact CB-CG 3.65Å
88R95.4Very high93.8Very high36 Ų3667.4 Ų67.414%0.13633%0.327CS..  trans-83.155.9-176.4-52.6-45.5-166.6-126.8-7.6111.2K86 W90 L91 N127 T128K86-R88 PolarHBondContact O-NH1 3.49Å; R88-W90 HydrophobicContact CB-CD2 4.43Å; R88-W90 HydrophobicContact CB-CH2 4.43Å; R88-W90 HydrophobicContact CB-CZ2 3.95Å; R88-W90 HydrophobicContact CG-CH2 4.48Å; R88-W90 HydrophobicContact CG-CZ2 3.91Å; R88-W90 PolarHBondContact O-N 2.98Å; R88-L91 WeakPolarHBondContact O-CB 3.26Å; R88-L91 PolarHBondContact O-N 3.39Å; R88-N127 PolarHBondContact N-O 3.25Å; R88-T128 HydrophobicContact CB-CG2 4.26Å; R88-T128 HydrophobicContact CG-CG2 4.36Å; R88-T128 WeakPolarHBondContact CG-OG1 3.5Å
89N90.9Very high93.4Very high126 Ų12663.1 Ų63.167%0.67431%0.314SS*.THydrogen-bonded Turntrans-60.4-11.6178.7-67.7-41.8000114.2D87 L91D87-N89 PolarHBondContact O-N 2.97Å; N89-L91 VanDerWaalsContact C-N 3.34Å
90W92.5Very high92.8Very high66 Ų6657.9 Ų57.925%0.2530%0.299CS..THydrogen-bonded Turntrans-81.2-9.7172.850.6-101.9000113.6R88 F92 T93 E94 F95 I194 F195 R225R88-W90 HydrophobicContact CB-CD2 4.43Å; R88-W90 HydrophobicContact CB-CH2 4.43Å; R88-W90 HydrophobicContact CB-CZ2 3.95Å; R88-W90 HydrophobicContact CG-CH2 4.48Å; R88-W90 HydrophobicContact CG-CZ2 3.91Å; R88-W90 PolarHBondContact O-N 2.98Å; W90-F92 PolarHBondContact O-N 3.33Å; W90-T93 WeakPolarHBondContact O-CB 3.38Å; W90-T93 PolarHBondContact O-N 3.15Å; W90-E94 HydrophobicContact CB-CG 4.24Å; W90-E94 HydrophobicContact CD2-CG 4.42Å; W90-E94 HydrophobicContact CE3-CB 3.87Å; W90-E94 HydrophobicContact CE3-CG 3.71Å; W90-E94 HydrophobicContact CZ3-CB 4.3Å; W90-E94 HydrophobicContact CZ3-CG 4.49Å; W90-E94 WeakPolarHBondContact O-CG 3.38Å; W90-E94 PolarHBondContact O-N 3.33Å; W90-F95 HydrophobicContact CZ3-CE2 4.11Å; W90-I194 HydrophobicContact CH2-CD1 4.09Å; W90-I194 HydrophobicContact CH2-CG2 3.84Å; W90-I194 HydrophobicContact CZ2-CG2 4.31Å; W90-I194 HydrophobicContact CZ3-CD1 4.46Å; W90-F195 HydrophobicContact CZ2-CE2 4.39Å; W90-R225 VanDerWaalsContact CH2-CD 3.48Å
91L95.2Very high92.2Very high3 Ų355.4 Ų55.42%0.01629%0.288CS..Hα-helixtrans-48.1-54.4-170.2-17773.6000112.9R88 N89 T93 E94 F95 L98 T128 L132 L192 I194R88-L91 WeakPolarHBondContact O-CB 3.26Å; R88-L91 PolarHBondContact O-N 3.39Å; N89-L91 VanDerWaalsContact C-N 3.34Å; L91-T93 VanDerWaalsContact C-N 3.32Å; L91-T93 PolarHBondContact O-N 3.25Å; L91-E94 PolarHBondContact O-N 3.22Å; L91-F95 HydrophobicContact CD1-CD2 3.75Å; L91-F95 HydrophobicContact CD1-CE2 4.24Å; L91-F95 PolarHBondContact O-N 2.79Å; L91-L98 HydrophobicContact CD1-CD1 4.09Å; L91-L98 HydrophobicContact CD2-CD1 3.84Å; L91-L98 HydrophobicContact CG-CD1 3.75Å; L91-T128 HydrophobicContact CD1-CG2 3.75Å; L91-T128 HydrophobicContact CD2-CG2 3.73Å; L91-T128 HydrophobicContact CG-CG2 4.27Å; L91-L132 HydrophobicContact CD2-CB 4.18Å; L91-L132 HydrophobicContact CD2-CD1 4.19Å; L91-L192 HydrophobicContact CD1-CD1 4.33Å; L91-I194 HydrophobicContact CD1-CD1 3.55Å
92F93.2Very high91.5Very high32 Ų3250.8 Ų50.814%0.1427%0.274CS..Hα-helixtrans-72.9-20.1-177.7-66.1-81.1000114.8W90 L98 I102 L132 A135 T136W90-F92 PolarHBondContact O-N 3.33Å; F92-L98 HydrophobicContact CD1-CB 3.84Å; F92-L98 HydrophobicContact CE1-CB 3.8Å; F92-I102 HydrophobicContact CB-CD1 4.5Å; F92-I102 HydrophobicContact CD1-CD1 3.44Å; F92-I102 VanDerWaalsContact CD1-CD1 3.44Å; F92-I102 HydrophobicContact CD1-CG1 4.21Å; F92-I102 HydrophobicContact CD2-CD1 4.14Å; F92-I102 HydrophobicContact CE1-CD1 3.49Å; F92-I102 VanDerWaalsContact CE1-CD1 3.49Å; F92-I102 HydrophobicContact CE1-CG1 3.83Å; F92-I102 HydrophobicContact CE2-CD1 4.2Å; F92-I102 HydrophobicContact CG-CD1 3.77Å; F92-I102 HydrophobicContact CZ-CD1 3.87Å; F92-I102 HydrophobicContact CZ-CG1 4.24Å; F92-L132 HydrophobicContact CE1-CD1 4.27Å; F92-L132 HydrophobicContact CE2-CD1 4.46Å; F92-L132 HydrophobicContact CZ-CD1 3.65Å; F92-A135 HydrophobicContact CD2-CB 4.22Å; F92-A135 HydrophobicContact CE2-CB 3.33Å; F92-A135 HydrophobicContact CZ-CB 3.63Å; F92-T136 HydrophobicContact CE1-CG2 4.38Å; F92-T136 HydrophobicContact CZ-CG2 3.99Å
93T91.4Very high90.3Very high43 Ų4351.8 Ų51.826%0.26428%0.275SS..Hα-helixtrans-74.2-37.9172.2-57.80000110.3R12 W90 L91R12-T93 HydrophobicContact CB-CG2 3.93Å; W90-T93 WeakPolarHBondContact O-CB 3.38Å; W90-T93 PolarHBondContact O-N 3.15Å; L91-T93 VanDerWaalsContact C-N 3.32Å; L91-T93 PolarHBondContact O-N 3.25Å
94E92Very high88.9Confident4 Ų450.3 Ų50.32%0.01926%0.255CS..Hα-helixtrans-89.7-32.4-172.3-66.2-64.9177.700112.5Q14 F15 W90 L91 P96 R225 R283 Q300Q14-E94 PolarHBondContact NE2-O 3.38Å; F15-E94 WeakPolarHBondContact CD1-OE2 3.11Å; W90-E94 HydrophobicContact CB-CG 4.24Å; W90-E94 HydrophobicContact CD2-CG 4.42Å; W90-E94 HydrophobicContact CE3-CB 3.87Å; W90-E94 HydrophobicContact CE3-CG 3.71Å; W90-E94 HydrophobicContact CZ3-CB 4.3Å; W90-E94 HydrophobicContact CZ3-CG 4.49Å; W90-E94 WeakPolarHBondContact O-CG 3.38Å; W90-E94 PolarHBondContact O-N 3.33Å; L91-E94 PolarHBondContact O-N 3.22Å; E94-P96 VanDerWaalsContact C-CD 3.47Å; E94-P96 VanDerWaalsContact O-CD 3.29Å; E94-P96 WeakPolarHBondContact O-CD 3.24Å; E94-R225 IonicContact OE1-NH1 2.93Å; E94-R225 IonicContact OE2-NH1 2.64Å; E94-R283 IonicContact OE1-NH2 3.43Å; E94-Q300 PolarHBondContact O-NE2 3.27Å; E94-Q300 PolarHBondContact OE2-NE2 3.17Å; E94-Q300 PolarHBondContact OE2-OE1 2.87Å
95F94.4Very high87.2Confident0 Ų050.5 Ų50.50%026%0.256CS..  trans-118.375.8174.4-59.8-66.4000110.7W90 L91 E97 L98 I194 L223 R225 Q300W90-F95 HydrophobicContact CZ3-CE2 4.11Å; L91-F95 HydrophobicContact CD1-CD2 3.75Å; L91-F95 HydrophobicContact CD1-CE2 4.24Å; L91-F95 PolarHBondContact O-N 2.79Å; F95-E97 WeakPolarHBondContact CA-OE2 3.3Å; F95-E97 PolarHBondContact O-N 3.12Å; F95-E97 VanDerWaalsContact O-N 3.11Å; F95-L98 HydrophobicContact CB-CD1 3.97Å; F95-L98 HydrophobicContact CB-CG 4.16Å; F95-L98 WeakPolarHBondContact O-CB 3.22Å; F95-L98 PolarHBondContact O-N 3.37Å; F95-L98 VanDerWaalsContact O-N 3.13Å; F95-I194 HydrophobicContact CE2-CD1 4.2Å; F95-L223 HydrophobicContact CB-CD1 3.97Å; F95-L223 HydrophobicContact CD1-CB 3.81Å; F95-L223 HydrophobicContact CD1-CD1 4.24Å; F95-L223 HydrophobicContact CD1-CD2 4.1Å; F95-L223 HydrophobicContact CD1-CG 4.26Å; F95-L223 HydrophobicContact CE1-CB 3.78Å; F95-L223 HydrophobicContact CG-CB 4.24Å; F95-L223 HydrophobicContact CG-CD1 4.12Å; F95-L223 HydrophobicContact CZ-CB 4.18Å; F95-R225 HydrophobicContact CE2-CB 4.45Å; F95-R225 HydrophobicContact CZ-CB 4.02Å; F95-Q300 HydrophobicContact CE1-CG 3.71Å; F95-Q300 HydrophobicContact CZ-CG 3.85Å
96P92.7Very high85.2Confident52 Ų5253.8 Ų53.834%0.33828%0.28SS..G310 helixtrans-62.4-16.3-178.526.4-35.5000113.9E94 L98 N99E94-P96 VanDerWaalsContact C-CD 3.47Å; E94-P96 VanDerWaalsContact O-CD 3.29Å; E94-P96 WeakPolarHBondContact O-CD 3.24Å; P96-L98 PolarHBondContact O-N 3.09Å; P96-N99 VanDerWaalsContact CA-ND2 3.33Å; P96-N99 WeakPolarHBondContact CA-ND2 3.45Å; P96-N99 WeakPolarHBondContact O-CB 3.4Å; P96-N99 PolarHBondContact O-N 3.48Å; P96-N99 PolarHBondContact O-ND2 3.2Å
97E91.9Very high83.3Confident41 Ų4149.7 Ų49.719%0.19227%0.27CS..G310 helixtrans-58.2-30.4173.6-57.891.8151.300112F95 N99 C100 F190 M221 F277 T302F95-E97 WeakPolarHBondContact CA-OE2 3.3Å; F95-E97 PolarHBondContact O-N 3.12Å; F95-E97 VanDerWaalsContact O-N 3.11Å; E97-N99 VanDerWaalsContact C-N 3.26Å; E97-N99 PolarHBondContact O-N 3.07Å; E97-C100 PolarHBondContact O-SG 3.33Å; E97-C100 VanDerWaalsContact O-SG 3.33Å; E97-F190 HydrophobicContact CB-CE1 3.92Å; E97-F190 HydrophobicContact CB-CZ 4.44Å; E97-M221 HydrophobicContact CB-SD 4.29Å; E97-M221 HydrophobicContact CG-SD 3.96Å; E97-F277 WeakPolarHBondContact OE1-CE1 2.99Å; E97-T302 WeakPolarHBondContact OE1-CB 3.4Å; E97-T302 WeakPolarHBondContact OE1-CG2 3.25Å; E97-T302 PolarHBondContact OE1-OG1 2.87Å
98L92.8Very high81.2Confident0 Ų055.4 Ų55.40%029%0.294CS..G310 helixtrans-73.8-13.9176.1-59.2177.7000113.1L91 F92 F95 P96 C100 F101 L118 F190 L192 L223L91-L98 HydrophobicContact CD1-CD1 4.09Å; L91-L98 HydrophobicContact CD2-CD1 3.84Å; L91-L98 HydrophobicContact CG-CD1 3.75Å; F92-L98 HydrophobicContact CD1-CB 3.84Å; F92-L98 HydrophobicContact CE1-CB 3.8Å; F95-L98 HydrophobicContact CB-CD1 3.97Å; F95-L98 HydrophobicContact CB-CG 4.16Å; F95-L98 WeakPolarHBondContact O-CB 3.22Å; F95-L98 PolarHBondContact O-N 3.37Å; F95-L98 VanDerWaalsContact O-N 3.13Å; P96-L98 PolarHBondContact O-N 3.09Å; L98-C100 PolarHBondContact O-N 2.94Å; L98-C100 VanDerWaalsContact O-N 3.09Å; L98-F101 HydrophobicContact CB-CD2 4.18Å; L98-F101 HydrophobicContact CB-CE2 4.44Å; L98-F101 HydrophobicContact CD2-CD2 4.18Å; L98-F101 HydrophobicContact CD2-CE2 3.66Å; L98-F101 WeakPolarHBondContact O-CB 3.25Å; L98-F101 WeakPolarHBondContact O-CD2 3.5Å; L98-F101 PolarHBondContact O-N 2.81Å; L98-F101 VanDerWaalsContact O-N 3.07Å; L98-L118 HydrophobicContact CD2-CD1 3.66Å; L98-F190 HydrophobicContact CD2-CD1 4.14Å; L98-F190 HydrophobicContact CD2-CE1 4.5Å; L98-F190 HydrophobicContact CD2-CG 4.15Å; L98-L192 HydrophobicContact CD1-CD2 4.2Å; L98-L192 HydrophobicContact CD2-CD2 4.48Å; L98-L223 HydrophobicContact CD1-CD1 4.05Å; L98-L223 HydrophobicContact CD2-CD1 3.64Å; L98-L223 HydrophobicContact CG-CD1 3.73Å
99N89.1Confident79.3Confident31 Ų3156.5 Ų56.517%0.16631%0.307CS..Hα-helixtrans-64.6-17.5-179-69.5-36.5000113P96 E97 F101 I102 N103P96-N99 VanDerWaalsContact CA-ND2 3.33Å; P96-N99 WeakPolarHBondContact CA-ND2 3.45Å; P96-N99 WeakPolarHBondContact O-CB 3.4Å; P96-N99 PolarHBondContact O-N 3.48Å; P96-N99 PolarHBondContact O-ND2 3.2Å; E97-N99 VanDerWaalsContact C-N 3.26Å; E97-N99 PolarHBondContact O-N 3.07Å; N99-F101 PolarHBondContact O-N 2.9Å; N99-I102 PolarHBondContact O-N 3.02Å; N99-I102 VanDerWaalsContact O-N 3.12Å; N99-N103 PolarHBondContact O-N 3.04Å; N99-N103 PolarHBondContact O-ND2 3.46Å
100C84.6Confident77.5Confident40 Ų4056.6 Ų56.627%0.2732%0.318SS..Hα-helixtrans-60.4-23.8173.870.40000112.9E97 L98 A104 K116E97-C100 PolarHBondContact O-SG 3.33Å; E97-C100 VanDerWaalsContact O-SG 3.33Å; L98-C100 PolarHBondContact O-N 2.94Å; L98-C100 VanDerWaalsContact O-N 3.09Å; C100-A104 PolarHBondContact O-N 2.84Å; C100-K116 PolarHBondContact SG-NZ 2.88Å
101F83Confident75.7Confident5 Ų557.1 Ų57.12%0.02233%0.332CS..Hα-helixtrans-77.9-29.7175.5-57.4-55.7000113.8L98 N99 K116 L118 T136 S139 L141 F190L98-F101 HydrophobicContact CB-CD2 4.18Å; L98-F101 HydrophobicContact CB-CE2 4.44Å; L98-F101 HydrophobicContact CD2-CD2 4.18Å; L98-F101 HydrophobicContact CD2-CE2 3.66Å; L98-F101 WeakPolarHBondContact O-CB 3.25Å; L98-F101 WeakPolarHBondContact O-CD2 3.5Å; L98-F101 PolarHBondContact O-N 2.81Å; L98-F101 VanDerWaalsContact O-N 3.07Å; N99-F101 PolarHBondContact O-N 2.9Å; F101-K116 HydrophobicContact CD1-CB 4.34Å; F101-K116 HydrophobicContact CD1-CD 3.88Å; F101-K116 HydrophobicContact CE1-CB 3.44Å; F101-K116 VanDerWaalsContact CE1-CB 3.44Å; F101-K116 HydrophobicContact CE1-CD 3.29Å; F101-K116 HydrophobicContact CE1-CG 4Å; F101-K116 HydrophobicContact CZ-CB 4.23Å; F101-K116 HydrophobicContact CZ-CD 4.2Å; F101-L118 HydrophobicContact CE2-CD1 4.18Å; F101-T136 HydrophobicContact CB-CG2 3.5Å; F101-T136 HydrophobicContact CG-CG2 4.39Å; F101-S139 WeakPolarHBondContact O-CB 3.36Å; F101-L141 HydrophobicContact CB-CD2 4.3Å; F101-L141 HydrophobicContact CD1-CB 4.02Å; F101-L141 HydrophobicContact CD1-CD1 3.92Å; F101-L141 HydrophobicContact CD1-CD2 4.1Å; F101-L141 HydrophobicContact CD1-CG 4.21Å; F101-L141 HydrophobicContact CD2-CD2 3.97Å; F101-L141 HydrophobicContact CE1-CB 4.4Å; F101-L141 HydrophobicContact CE1-CD1 3.5Å; F101-L141 HydrophobicContact CE1-CD2 4.4Å; F101-L141 HydrophobicContact CE1-CG 4.29Å; F101-L141 HydrophobicContact CE2-CD1 4.22Å; F101-L141 HydrophobicContact CE2-CD2 4.31Å; F101-L141 HydrophobicContact CG-CB 4.49Å; F101-L141 HydrophobicContact CG-CD1 4.44Å; F101-L141 HydrophobicContact CG-CD2 3.87Å; F101-L141 HydrophobicContact CG-CG 4.48Å; F101-L141 HydrophobicContact CZ-CD1 3.67Å; F101-F190 HydrophobicContact CE1-CE2 4.46Å; F101-F190 AromaticContact CE2-CD2 3.82Å; F101-F190 HydrophobicContact CE2-CD2 3.82Å; F101-F190 AromaticContact CE2-CE2 3.82Å; F101-F190 HydrophobicContact CE2-CE2 3.82Å; F101-F190 AromaticContact CZ-CD2 3.46Å; F101-F190 HydrophobicContact CZ-CD2 3.46Å; F101-F190 VanDerWaalsContact CZ-CD2 3.46Å; F101-F190 AromaticContact CZ-CE2 3.45Å; F101-F190 HydrophobicContact CZ-CE2 3.45Å; F101-F190 VanDerWaalsContact CZ-CE2 3.45Å
102I79.9Confident73.5Confident52 Ų5263.1 Ų63.127%0.26737%0.371SS..Hα-helixtrans-81.2-40.9178.4-57.5176.8000109.7F92 N99 A104 K105 A135 T136F92-I102 HydrophobicContact CB-CD1 4.5Å; F92-I102 HydrophobicContact CD1-CD1 3.44Å; F92-I102 VanDerWaalsContact CD1-CD1 3.44Å; F92-I102 HydrophobicContact CD1-CG1 4.21Å; F92-I102 HydrophobicContact CD2-CD1 4.14Å; F92-I102 HydrophobicContact CE1-CD1 3.49Å; F92-I102 VanDerWaalsContact CE1-CD1 3.49Å; F92-I102 HydrophobicContact CE1-CG1 3.83Å; F92-I102 HydrophobicContact CE2-CD1 4.2Å; F92-I102 HydrophobicContact CG-CD1 3.77Å; F92-I102 HydrophobicContact CZ-CD1 3.87Å; F92-I102 HydrophobicContact CZ-CG1 4.24Å; N99-I102 PolarHBondContact O-N 3.02Å; N99-I102 VanDerWaalsContact O-N 3.12Å; I102-A104 VanDerWaalsContact C-N 3.33Å; I102-A104 PolarHBondContact O-N 2.58Å; I102-K105 WeakPolarHBondContact O-CB 3.31Å; I102-K105 VanDerWaalsContact O-CG 3.3Å; I102-K105 WeakPolarHBondContact O-CG 3.21Å; I102-K105 PolarHBondContact O-N 3.27Å; I102-A135 HydrophobicContact CD1-CB 4.35Å; I102-T136 HydrophobicContact CG1-CG2 4.49Å
103N67.5Low71.6Confident86 Ų8665.4 Ų65.446%0.4639%0.387SS..Hα-helixtrans-72.5-23.7-177.6-64.4-19.1000113.2N99 K105 T106N99-N103 PolarHBondContact O-N 3.04Å; N99-N103 PolarHBondContact O-ND2 3.46Å; N103-K105 PolarHBondContact O-N 3.24Å; N103-T106 PolarHBondContact O-N 3.03Å; N103-T106 VanDerWaalsContact O-N 3.13Å; N103-T106 PolarHBondContact O-OG1 3.21Å
104A60.9Low70.2Confident42 Ų4269.8 Ų69.835%0.34741%0.405SS..G310 helixtrans-58.8-19.6177.800000113.3C100 I102 T106 T107C100-A104 PolarHBondContact O-N 2.84Å; I102-A104 VanDerWaalsContact C-N 3.33Å; I102-A104 PolarHBondContact O-N 2.58Å; A104-T106 PolarHBondContact O-N 3.29Å; A104-T106 VanDerWaalsContact O-N 3.11Å; A104-T107 PolarHBondContact O-N 3.13Å; A104-T107 PolarHBondContact O-OG1 3.44Å
105K58.9Low68.7Low104 Ų10472.4 Ų72.445%0.45242%0.423SS..G310 helixtrans-56.8-23.1174.3-65.1-177.7-173.5-164.70113.9I102 N103 A135 A137I102-K105 WeakPolarHBondContact O-CB 3.31Å; I102-K105 VanDerWaalsContact O-CG 3.3Å; I102-K105 WeakPolarHBondContact O-CG 3.21Å; I102-K105 PolarHBondContact O-N 3.27Å; N103-K105 PolarHBondContact O-N 3.24Å; K105-A135 PolarHBondContact NZ-O 3.26Å; K105-A135 VanDerWaalsContact NZ-O 3.14Å; K105-A137 WeakPolarHBondContact CE-O 3.29Å; K105-A137 PolarHBondContact NZ-O 3.46Å
106T52.1Low68.3Low117 Ų11775.5 Ų75.572%0.71844%0.436SS*.G310 helixtrans-99.2-8.6-172.360.20000114.4N103 A104N103-T106 PolarHBondContact O-N 3.03Å; N103-T106 VanDerWaalsContact O-N 3.13Å; N103-T106 PolarHBondContact O-OG1 3.21Å; A104-T106 PolarHBondContact O-N 3.29Å; A104-T106 VanDerWaalsContact O-N 3.11Å
107T53Low68.5Low92 Ų9274 Ų7456%0.56443%0.426SS*.  trans-106.499.7-177.1570000110.6A104 S109A104-T107 PolarHBondContact O-N 3.13Å; A104-T107 PolarHBondContact O-OG1 3.44Å; T107-S109 PolarHBondContact O-N 2.95Å
108H54.7Low68.8Low192 Ų19272 Ų7289%0.88942%0.417SS*.  trans-68.648.2161.7-66.3-66.4000111.2S110H108-S110 PolarHBondContact O-N 3.12Å
109S54.3Low69.1Low58 Ų5872 Ų7241%0.40642%0.417SS..  trans-73.2116.3177.1146.70000108T107 S111T107-S109 PolarHBondContact O-N 2.95Å; S109-S111 PolarHBondContact O-N 3.31Å; S109-S111 WeakPolarHBondContact OG-CB 3.39Å; S109-S111 PolarHBondContact OG-N 3.19Å; S109-S111 PolarHBondContact OG-OG 3.32Å
110S54.2Low69.5Low128 Ų12870.7 Ų70.790%0.89541%0.41SS*.  trans-732.717439.50000114.2H108H108-S110 PolarHBondContact O-N 3.12Å
111S53.9Low70.2Confident77 Ų7769 Ų6954%0.53840%0.398SS..SBendtrans-66.8144.2167-48.70000109.6S109 V113S109-S111 PolarHBondContact O-N 3.31Å; S109-S111 WeakPolarHBondContact OG-CB 3.39Å; S109-S111 PolarHBondContact OG-N 3.19Å; S109-S111 PolarHBondContact OG-OG 3.32Å; S111-V113 PolarHBondContact O-N 3.28Å
112P48.4Very low71Confident130 Ų13069.9 Ų69.984%0.84441%0.409SS*.  trans-56.3107.7171.623.1-30.5000107.9E114P112-E114 PolarHBondContact O-N 3.11Å
113V53.9Low71.9Confident79 Ų7967.6 Ų67.648%0.47940%0.398SS..  trans-65.8112.4177.6-178.30000105.3S111 C115 D140S111-V113 PolarHBondContact O-N 3.28Å; V113-C115 PolarHBondContact O-N 3.14Å; V113-D140 WeakPolarHBondContact CB-OD2 3.2Å; V113-D140 HydrophobicContact CG1-CB 4.44Å; V113-D140 VanDerWaalsContact CG1-OD2 3.32Å; V113-D140 WeakPolarHBondContact CG1-OD2 3.01Å
114E62.4Low73.3Confident135 Ų13563.7 Ų63.763%0.63138%0.378SS*.  trans-57.4110.2171.9-170.5-176.7164.400106.5P112 K116 K217P112-E114 PolarHBondContact O-N 3.11Å; E114-K116 WeakPolarHBondContact O-CG 3.41Å; E114-K116 PolarHBondContact O-N 2.81Å; E114-K217 IonicContact OE1-NZ 2.78Å; E114-K217 PolarHBondContact OE1-NZ 2.87Å
115C59.4Low75.1Confident59 Ų5962 Ų6240%0.39936%0.363SS..  trans-58.2124.4179.1177.70000107.9V113 D140 Q142V113-C115 PolarHBondContact O-N 3.14Å; C115-D140 PolarHBondContact SG-O 2.65Å; C115-Q142 WeakPolarHBondContact SG-CG 3.47Å
116K86.9Confident77Confident66 Ų6657.1 Ų57.129%0.28734%0.342SS..EExtended strand (participates in β ladder)trans-95.8130.6-175-64.9-175.9176.8178.60109.8C100 F101 E114 L141 Q142 D189C100-K116 PolarHBondContact SG-NZ 2.88Å; F101-K116 HydrophobicContact CD1-CB 4.34Å; F101-K116 HydrophobicContact CD1-CD 3.88Å; F101-K116 HydrophobicContact CE1-CB 3.44Å; F101-K116 VanDerWaalsContact CE1-CB 3.44Å; F101-K116 HydrophobicContact CE1-CD 3.29Å; F101-K116 HydrophobicContact CE1-CG 4Å; F101-K116 HydrophobicContact CZ-CB 4.23Å; F101-K116 HydrophobicContact CZ-CD 4.2Å; E114-K116 WeakPolarHBondContact O-CG 3.41Å; E114-K116 PolarHBondContact O-N 2.81Å; K116-L141 HydrophobicContact CB-CD1 4.47Å; K116-L141 WeakPolarHBondContact O-CA 3.43Å; K116-L141 VanDerWaalsContact O-CD1 3.27Å; K116-L141 WeakPolarHBondContact O-CD1 3.48Å; K116-Q142 PolarHBondContact O-N 2.98Å; K116-D189 VanDerWaalsContact CA-OD2 3.26Å; K116-D189 WeakPolarHBondContact CA-OD2 3.26Å
117C96.4Very high79.1Confident19 Ų1952.4 Ų52.413%0.12831%0.312CS..EExtended strand (participates in β ladder)trans-109.7130.2-176.1-67.70000111Q142 Y144 S187 L188 D189 F190C117-Q142 WeakPolarHBondContact CA-O 3.33Å; C117-Y144 HydrophobicContact CB-CE2 4.41Å; C117-S187 WeakPolarHBondContact CB-O 3.22Å; C117-L188 HydrophobicContact CB-CD2 4.07Å; C117-D189 PolarHBondContact N-OD2 3.04Å; C117-D189 WeakPolarHBondContact O-CB 3.38Å; C117-D189 PolarHBondContact O-N 2.94Å; C117-F190 PolarHBondContact O-N 3.45Å
118L98.2Very high81.3Confident0 Ų048.2 Ų48.20%029%0.287CS..EExtended strand (participates in β ladder)trans-125.7134.5176.7179.2153.3000110.5L98 F101 L132 L141 Q142 I143 Y144 F190 L192L98-L118 HydrophobicContact CD2-CD1 3.66Å; F101-L118 HydrophobicContact CE2-CD1 4.18Å; L118-L132 HydrophobicContact CD1-CD2 3.97Å; L118-L132 HydrophobicContact CD2-CD2 3.64Å; L118-L132 HydrophobicContact CG-CD2 4.46Å; L118-L141 HydrophobicContact CB-CD1 3.79Å; L118-Q142 PolarHBondContact N-O 3.27Å; L118-I143 HydrophobicContact CD2-CG2 4.25Å; L118-I143 CarbonylContact O-C 3.52Å; L118-I143 WeakPolarHBondContact O-CA 3.4Å; L118-Y144 PolarHBondContact O-N 3.11Å; L118-F190 CarbonylContact C-O 3.58Å; L118-F190 WeakPolarHBondContact CA-O 3.48Å; L118-F190 HydrophobicContact CB-CB 4.31Å; L118-F190 HydrophobicContact CD1-CB 3.93Å; L118-F190 HydrophobicContact CG-CB 3.98Å; L118-L192 HydrophobicContact CD1-CD1 4.28Å; L118-L192 HydrophobicContact CD1-CG 4.27Å; L118-L192 HydrophobicContact CD2-CD1 4.04Å; L118-L192 HydrophobicContact CD2-CG 4.12Å; L118-L192 HydrophobicContact CG-CG 4.39Å
119L98.8Very high83.4Confident0 Ų039.1 Ų39.10%025%0.245CC..EExtended strand (participates in β ladder)trans-105.9125169.3175.365.4000110.5V121 Y144 F170 W172 F183 L188 F190 A191 L192L119-V121 HydrophobicContact CD2-CG2 3.76Å; L119-V121 HydrophobicContact CG-CG2 3.9Å; L119-Y144 CarbonylContact C-O 3.6Å; L119-Y144 VanDerWaalsContact CA-O 3.3Å; L119-Y144 WeakPolarHBondContact CA-O 3.18Å; L119-F170 HydrophobicContact CD1-CE1 4.29Å; L119-F170 HydrophobicContact CD1-CZ 4.08Å; L119-W172 HydrophobicContact CD2-CZ3 4.18Å; L119-F183 HydrophobicContact CD1-CE1 4.01Å; L119-F183 HydrophobicContact CD1-CZ 4.11Å; L119-F183 HydrophobicContact CD2-CE1 4.5Å; L119-F183 HydrophobicContact CD2-CE2 4.5Å; L119-F183 HydrophobicContact CD2-CZ 3.81Å; L119-F183 HydrophobicContact CG-CZ 4.49Å; L119-L188 HydrophobicContact CB-CD1 3.65Å; L119-L188 HydrophobicContact CB-CD2 4.21Å; L119-L188 HydrophobicContact CD2-CD1 3.82Å; L119-L188 HydrophobicContact CG-CD1 4.39Å; L119-F190 PolarHBondContact N-O 2.87Å; L119-A191 CarbonylContact O-C 3.53Å; L119-A191 VanDerWaalsContact O-CA 3.26Å; L119-A191 WeakPolarHBondContact O-CA 3.27Å; L119-L192 PolarHBondContact O-N 2.87Å
120E98.8Very high85.4Confident3 Ų337.1 Ų37.11%0.01423%0.229CC..EExtended strand (participates in β ladder)trans-96.1118.5159.3-177.6-179.8-16600109.6C123 T128 V129 Y144 C146 L192E120-C123 HydrophobicContact CB-CB 4.49Å; E120-C123 HydrophobicContact CG-CB 4.08Å; E120-T128 VanDerWaalsContact CD-CB 3.47Å; E120-T128 WeakPolarHBondContact OE1-CB 3.43Å; E120-T128 PolarHBondContact OE1-OG1 3.22Å; E120-T128 WeakPolarHBondContact OE2-CB 3.48Å; E120-V129 WeakPolarHBondContact OE2-CA 3.5Å; E120-V129 VanDerWaalsContact OE2-CB 3.27Å; E120-V129 WeakPolarHBondContact OE2-CB 3.34Å; E120-V129 PolarHBondContact OE2-N 3.13Å; E120-Y144 PolarHBondContact N-O 2.87Å; E120-C146 PolarHBondContact O-N 2.62Å; E120-L192 HydrophobicContact CB-CB 4.39Å; E120-L192 HydrophobicContact CG-CB 4.31Å
121V98.9Very high87.4Confident4 Ų431.5 Ų31.52%0.02419%0.19CC..EExtended strand (participates in β ladder)trans-91.1141.8170.2-173.20000109.6L119 C146 W172 I174 L192 V196 I212L119-V121 HydrophobicContact CD2-CG2 3.76Å; L119-V121 HydrophobicContact CG-CG2 3.9Å; V121-C146 CarbonylContact C-O 3.58Å; V121-W172 HydrophobicContact CG2-CZ3 4.45Å; V121-I174 HydrophobicContact CB-CD1 4.37Å; V121-I174 HydrophobicContact CG1-CB 3.98Å; V121-I174 HydrophobicContact CG1-CD1 3.64Å; V121-I174 HydrophobicContact CG1-CG1 4.22Å; V121-I174 HydrophobicContact CG2-CD1 4.25Å; V121-L192 PolarHBondContact N-O 3Å; V121-V196 HydrophobicContact CG1-CG1 3.97Å; V121-V196 WeakPolarHBondContact O-CG2 3.32Å; V121-I212 HydrophobicContact CG2-CG1 4.41Å
122G98.7Very high89.4Confident24 Ų2427.8 Ų27.825%0.24716%0.164CC..SBendtrans6444.7-177.200000111.3G124 C146 D147G122-G124 PolarHBondContact O-N 2.87Å; G122-G124 VanDerWaalsContact O-N 3.13Å; G122-C146 WeakPolarHBondContact CA-O 3.15Å; G122-C146 PolarHBondContact N-O 3.3Å; G122-D147 VanDerWaalsContact C-OD2 3.31Å; G122-D147 WeakPolarHBondContact CA-OD2 3.25Å
123C98.6Very high91.6Very high5 Ų521.9 Ų21.93%0.03413%0.125CC..  trans-64.1-17.6-175.767.30000112.9E120 V125 G126 A145 C146E120-C123 HydrophobicContact CB-CB 4.49Å; E120-C123 HydrophobicContact CG-CB 4.08Å; C123-V125 PolarHBondContact O-N 3.33Å; C123-G126 WeakPolarHBondContact O-CA 3.2Å; C123-G126 PolarHBondContact O-N 2.8Å; C123-A145 HydrophobicContact CB-CB 3.9Å; C123-C146 PolarHBondContact N-O 2.86Å
124G98.1Very high93.5Very high4 Ų423.3 Ų23.34%0.04113%0.127CC..THydrogen-bonded Turntrans51.7-125.1-171.600000110.5Y77 G122 G126 D147 A152Y77-G124 VanDerWaalsContact OH-CA 3.31Å; Y77-G124 WeakPolarHBondContact OH-CA 3.38Å; G122-G124 PolarHBondContact O-N 2.87Å; G122-G124 VanDerWaalsContact O-N 3.13Å; G124-G126 VanDerWaalsContact C-N 3.34Å; G124-D147 VanDerWaalsContact CA-OD2 3.31Å; G124-D147 WeakPolarHBondContact CA-OD2 3.35Å; G124-D147 PolarHBondContact N-OD2 3.18Å; G124-A152 CarbonylContact O-C 3.54Å
125V98.1Very high94.9Very high7 Ų718.4 Ų18.44%0.04211%0.109CC..THydrogen-bonded Turntrans-94.814.9177.7-59.10000113Y77 C82 C123 N127 L155Y77-V125 HydrophobicContact CD1-CG1 3.64Å; Y77-V125 HydrophobicContact CE1-CG1 3.91Å; C82-V125 HydrophobicContact CB-CG2 4.45Å; C123-V125 PolarHBondContact O-N 3.33Å; V125-N127 WeakPolarHBondContact CG2-OD1 3.31Å; V125-L155 HydrophobicContact CB-CB 4.46Å; V125-L155 HydrophobicContact CG1-CB 3.79Å; V125-L155 HydrophobicContact CG1-CD1 3.84Å; V125-L155 HydrophobicContact CG1-CG 4.5Å
126G98.3Very high96.4Very high0 Ų015.6 Ų15.60%09%0.09CC..SBendtrans93.718.7169.600000117.2C123 G124 T128 V129 I130C123-G126 WeakPolarHBondContact O-CA 3.2Å; C123-G126 PolarHBondContact O-N 2.8Å; G124-G126 VanDerWaalsContact C-N 3.34Å; G126-T128 PolarHBondContact O-N 3.35Å; G126-V129 PolarHBondContact O-N 3.3Å; G126-I130 WeakPolarHBondContact O-CB 3.31Å; G126-I130 PolarHBondContact O-N 3.18Å
127N98.2Very high96.5Very high18 Ų1814.9 Ų14.910%0.09610%0.096CC..THydrogen-bonded Turntrans-63.9-11.9-178.5-65.6109.9000114.6F85 D87 R88 V125F85-N127 HydrophobicContact CB-CB 4.4Å; F85-N127 WeakPolarHBondContact CB-OD1 3.45Å; F85-N127 PolarHBondContact O-ND2 3.03Å; D87-N127 CarbonylContact C-O 3.47Å; D87-N127 VanDerWaalsContact CA-O 3.3Å; D87-N127 WeakPolarHBondContact CA-O 3.39Å; D87-N127 PolarHBondContact OD1-ND2 2.95Å; R88-N127 PolarHBondContact N-O 3.25Å; V125-N127 WeakPolarHBondContact CG2-OD1 3.31Å
128T98.4Very high96Very high5 Ų517.6 Ų17.63%0.03113%0.127CC..THydrogen-bonded Turntrans-103-49.4165-37.90000111R88 L91 E120 G126 I130 P131 L132 L192 I194R88-T128 HydrophobicContact CB-CG2 4.26Å; R88-T128 HydrophobicContact CG-CG2 4.36Å; R88-T128 WeakPolarHBondContact CG-OG1 3.5Å; L91-T128 HydrophobicContact CD1-CG2 3.75Å; L91-T128 HydrophobicContact CD2-CG2 3.73Å; L91-T128 HydrophobicContact CG-CG2 4.27Å; E120-T128 VanDerWaalsContact CD-CB 3.47Å; E120-T128 WeakPolarHBondContact OE1-CB 3.43Å; E120-T128 PolarHBondContact OE1-OG1 3.22Å; E120-T128 WeakPolarHBondContact OE2-CB 3.48Å; G126-T128 PolarHBondContact O-N 3.35Å; T128-I130 VanDerWaalsContact C-N 3.33Å; T128-I130 PolarHBondContact O-N 2.85Å; T128-P131 WeakPolarHBondContact O-CD 3.47Å; T128-L132 VanDerWaalsContact O-CB 3.29Å; T128-L132 WeakPolarHBondContact O-CB 3.34Å; T128-L132 PolarHBondContact O-N 3.21Å; T128-L192 HydrophobicContact CG2-CD1 4.19Å; T128-I194 HydrophobicContact CG2-CD1 3.86Å
129V97.9Very high95.5Very high0 Ų018.3 Ų18.30%013%0.132CC..Hα-helixtrans-59.2-38.7-175.186.40000113.7E120 G126 L132 M133 I143 A145 L156E120-V129 WeakPolarHBondContact OE2-CA 3.5Å; E120-V129 VanDerWaalsContact OE2-CB 3.27Å; E120-V129 WeakPolarHBondContact OE2-CB 3.34Å; E120-V129 PolarHBondContact OE2-N 3.13Å; G126-V129 PolarHBondContact O-N 3.3Å; V129-L132 WeakPolarHBondContact O-CB 3.46Å; V129-L132 PolarHBondContact O-N 3.25Å; V129-M133 HydrophobicContact CG1-CE 4.27Å; V129-M133 WeakPolarHBondContact O-CB 3.4Å; V129-M133 WeakPolarHBondContact O-CG 2.94Å; V129-M133 PolarHBondContact O-N 3.29Å; V129-I143 HydrophobicContact CG2-CG2 3.47Å; V129-I143 VanDerWaalsContact CG2-CG2 3.47Å; V129-A145 HydrophobicContact CB-CB 4.5Å; V129-A145 HydrophobicContact CG2-CB 4.03Å; V129-L156 HydrophobicContact CG1-CD1 3.73Å; V129-L156 HydrophobicContact CG1-CD2 3.91Å; V129-L156 HydrophobicContact CG1-CG 4.47Å
130I97.1Very high94.9Very high16 Ų1622.8 Ų22.88%0.08216%0.156CC..Hα-helixtrans-66.8-53.8-178.6-69.7166.9000110.3G126 T128 L132 M133 Q134 L156 S159 E161G126-I130 WeakPolarHBondContact O-CB 3.31Å; G126-I130 PolarHBondContact O-N 3.18Å; T128-I130 VanDerWaalsContact C-N 3.33Å; T128-I130 PolarHBondContact O-N 2.85Å; I130-L132 VanDerWaalsContact C-N 3.26Å; I130-L132 PolarHBondContact O-N 2.72Å; I130-M133 HydrophobicContact CB-CE 4.4Å; I130-M133 HydrophobicContact CG1-CE 3.93Å; I130-M133 WeakPolarHBondContact O-CB 3.05Å; I130-M133 PolarHBondContact O-N 2.96Å; I130-Q134 WeakPolarHBondContact O-CG 3.44Å; I130-Q134 PolarHBondContact O-N 3.5Å; I130-L156 HydrophobicContact CD1-CD1 3.98Å; I130-L156 HydrophobicContact CG1-CD1 4.04Å; I130-S159 WeakPolarHBondContact CD1-OG 3.27Å; I130-E161 HydrophobicContact CG2-CB 3.68Å; I130-E161 HydrophobicContact CG2-CG 4.37Å
131P96.1Very high94.6Very high10 Ų1022.8 Ų22.87%0.06516%0.156CC..Hα-helixtrans-57.5-37.1172-26.933.2000113.9D87 T128 Q134 A135D87-P131 HydrophobicContact CB-CG 3.65Å; T128-P131 WeakPolarHBondContact O-CD 3.47Å; P131-Q134 PolarHBondContact O-N 2.86Å; P131-A135 VanDerWaalsContact O-CB 3.3Å; P131-A135 WeakPolarHBondContact O-CB 3.5Å; P131-A135 PolarHBondContact O-N 3.44Å
132L96Very high94.4Very high0 Ų026.2 Ų26.20%017%0.172CC..Hα-helixtrans-62.1-48.7175.817362.6000111L91 F92 L118 T128 V129 I130 Q134 A135 T136 L141 I143 L192L91-L132 HydrophobicContact CD2-CB 4.18Å; L91-L132 HydrophobicContact CD2-CD1 4.19Å; F92-L132 HydrophobicContact CE1-CD1 4.27Å; F92-L132 HydrophobicContact CE2-CD1 4.46Å; F92-L132 HydrophobicContact CZ-CD1 3.65Å; L118-L132 HydrophobicContact CD1-CD2 3.97Å; L118-L132 HydrophobicContact CD2-CD2 3.64Å; L118-L132 HydrophobicContact CG-CD2 4.46Å; T128-L132 VanDerWaalsContact O-CB 3.29Å; T128-L132 WeakPolarHBondContact O-CB 3.34Å; T128-L132 PolarHBondContact O-N 3.21Å; V129-L132 WeakPolarHBondContact O-CB 3.46Å; V129-L132 PolarHBondContact O-N 3.25Å; I130-L132 VanDerWaalsContact C-N 3.26Å; I130-L132 PolarHBondContact O-N 2.72Å; L132-Q134 PolarHBondContact O-N 2.96Å; L132-A135 PolarHBondContact O-N 3.06Å; L132-T136 HydrophobicContact CD1-CG2 3.95Å; L132-T136 WeakPolarHBondContact O-CB 3.36Å; L132-T136 VanDerWaalsContact O-CG2 3.29Å; L132-T136 WeakPolarHBondContact O-CG2 3.42Å; L132-T136 PolarHBondContact O-N 3.47Å; L132-T136 PolarHBondContact O-OG1 3.31Å; L132-L141 HydrophobicContact CD1-CD2 4.17Å; L132-L141 HydrophobicContact CG-CD2 4.44Å; L132-I143 HydrophobicContact CD2-CD1 4.13Å; L132-I143 HydrophobicContact CG-CD1 4.05Å; L132-L192 HydrophobicContact CD2-CD1 4.34Å
133M94Very high94.4Very high5 Ų525.1 Ų25.13%0.02516%0.161CC..Hα-helixtrans-56.4-50.9174.5-79.8-172.8-60.900110.7V129 I130 A135 T136 A137 I143 F162 D163 R166 C167V129-M133 HydrophobicContact CG1-CE 4.27Å; V129-M133 WeakPolarHBondContact O-CB 3.4Å; V129-M133 WeakPolarHBondContact O-CG 2.94Å; V129-M133 PolarHBondContact O-N 3.29Å; I130-M133 HydrophobicContact CB-CE 4.4Å; I130-M133 HydrophobicContact CG1-CE 3.93Å; I130-M133 WeakPolarHBondContact O-CB 3.05Å; I130-M133 PolarHBondContact O-N 2.96Å; M133-A135 PolarHBondContact O-N 2.92Å; M133-T136 CarbonylContact O-C 3.56Å; M133-T136 PolarHBondContact O-N 3.31Å; M133-T136 PolarHBondContact O-OG1 2.92Å; M133-A137 PolarHBondContact O-N 2.83Å; M133-I143 HydrophobicContact CB-CD1 4.48Å; M133-I143 HydrophobicContact CG-CD1 3.54Å; M133-F162 HydrophobicContact CE-CD2 4.15Å; M133-D163 HydrophobicContact SD-CB 4.47Å; M133-R166 PolarHBondContact O-NH1 3.48Å; M133-C167 HydrophobicContact CE-CB 4.48Å; M133-C167 HydrophobicContact CG-CB 4.38Å; M133-C167 HydrophobicContact SD-CB 3.39Å; M133-C167 WeakPolarHBondContact SD-CB 3.36Å
134Q93.5Very high94.4Very high110 Ų11027 Ų2751%0.51417%0.167SC..Hα-helixtrans-60.2-47.6-178.6-70171.3-10.200112.2I130 P131 L132 T136 A137I130-Q134 WeakPolarHBondContact O-CG 3.44Å; I130-Q134 PolarHBondContact O-N 3.5Å; P131-Q134 PolarHBondContact O-N 2.86Å; L132-Q134 PolarHBondContact O-N 2.96Å; Q134-T136 VanDerWaalsContact C-N 3.25Å; Q134-T136 PolarHBondContact O-N 3.41Å; Q134-A137 WeakPolarHBondContact O-CB 3.29Å; Q134-A137 PolarHBondContact O-N 3.09Å
135A92.1Very high94.4Very high32 Ų3226.8 Ų26.826%0.26417%0.165SC..Hα-helixtrans-63.8-32.8179.700000112.6F92 I102 K105 P131 L132 M133F92-A135 HydrophobicContact CD2-CB 4.22Å; F92-A135 HydrophobicContact CE2-CB 3.33Å; F92-A135 HydrophobicContact CZ-CB 3.63Å; I102-A135 HydrophobicContact CD1-CB 4.35Å; K105-A135 PolarHBondContact NZ-O 3.26Å; K105-A135 VanDerWaalsContact NZ-O 3.14Å; P131-A135 VanDerWaalsContact O-CB 3.3Å; P131-A135 WeakPolarHBondContact O-CB 3.5Å; P131-A135 PolarHBondContact O-N 3.44Å; L132-A135 PolarHBondContact O-N 3.06Å; M133-A135 PolarHBondContact O-N 2.92Å
136T92Very high94.4Very high0 Ų026.4 Ų26.40%016%0.163CC..THydrogen-bonded Turntrans-97.910.5-177.263.30000113.5F92 F101 I102 L132 M133 Q134 G138 S139 L141 R166F92-T136 HydrophobicContact CE1-CG2 4.38Å; F92-T136 HydrophobicContact CZ-CG2 3.99Å; F101-T136 HydrophobicContact CB-CG2 3.5Å; F101-T136 HydrophobicContact CG-CG2 4.39Å; I102-T136 HydrophobicContact CG1-CG2 4.49Å; L132-T136 HydrophobicContact CD1-CG2 3.95Å; L132-T136 WeakPolarHBondContact O-CB 3.36Å; L132-T136 VanDerWaalsContact O-CG2 3.29Å; L132-T136 WeakPolarHBondContact O-CG2 3.42Å; L132-T136 PolarHBondContact O-N 3.47Å; L132-T136 PolarHBondContact O-OG1 3.31Å; M133-T136 CarbonylContact O-C 3.56Å; M133-T136 PolarHBondContact O-N 3.31Å; M133-T136 PolarHBondContact O-OG1 2.92Å; Q134-T136 VanDerWaalsContact C-N 3.25Å; Q134-T136 PolarHBondContact O-N 3.41Å; T136-G138 PolarHBondContact O-N 3.46Å; T136-S139 WeakPolarHBondContact CB-OG 3.26Å; T136-S139 WeakPolarHBondContact O-CB 3.3Å; T136-S139 PolarHBondContact O-N 2.93Å; T136-S139 PolarHBondContact O-OG 3.02Å; T136-L141 HydrophobicContact CG2-CD2 3.9Å; T136-R166 PolarHBondContact O-NH2 3.46Å; T136-R166 PolarHBondContact OG1-NH2 3.23Å
137A88.9Confident94.5Very high50 Ų5026.8 Ų26.841%0.41317%0.165SC..THydrogen-bonded Turntrans-52.412717700000112K105 M133 Q134 R166K105-A137 WeakPolarHBondContact CE-O 3.29Å; K105-A137 PolarHBondContact NZ-O 3.46Å; M133-A137 PolarHBondContact O-N 2.83Å; Q134-A137 WeakPolarHBondContact O-CB 3.29Å; Q134-A137 PolarHBondContact O-N 3.09Å; A137-R166 VanDerWaalsContact CA-NH1 3.31Å
138G84.8Confident94.4Very high76 Ų7628.3 Ų28.378%0.78417%0.171SC*.THydrogen-bonded Turntrans85.94.7-175.500000115.5T136T136-G138 PolarHBondContact O-N 3.46Å
139S88.4Confident94.4Very high15 Ų1528.1 Ų28.111%0.10517%0.17CC..SBendtrans-95.3160.3168.771.60000111.7F101 T136 L141F101-S139 WeakPolarHBondContact O-CB 3.36Å; T136-S139 WeakPolarHBondContact CB-OG 3.26Å; T136-S139 WeakPolarHBondContact O-CB 3.3Å; T136-S139 PolarHBondContact O-N 2.93Å; T136-S139 PolarHBondContact O-OG 3.02Å; S139-L141 PolarHBondContact O-N 2.87Å; S139-L141 VanDerWaalsContact O-N 3.12Å; S139-L141 WeakPolarHBondContact OG-CB 3.21Å
140D85.7Confident94.4Very high94 Ų9430.7 Ų30.750%0.50319%0.187SC..  trans-79.620.2175.6-56.5-36.5000113.3V113 C115 Q142V113-D140 WeakPolarHBondContact CB-OD2 3.2Å; V113-D140 HydrophobicContact CG1-CB 4.44Å; V113-D140 VanDerWaalsContact CG1-OD2 3.32Å; V113-D140 WeakPolarHBondContact CG1-OD2 3.01Å; C115-D140 PolarHBondContact SG-O 2.65Å; D140-Q142 PolarHBondContact O-N 3.13Å
141L93.2Very high94.5Very high3 Ų331 Ų312%0.01619%0.189CC..EExtended strand (participates in β ladder)trans-70.5117.217717759000110F101 K116 L118 L132 T136 S139 I143F101-L141 HydrophobicContact CB-CD2 4.3Å; F101-L141 HydrophobicContact CD1-CB 4.02Å; F101-L141 HydrophobicContact CD1-CD1 3.92Å; F101-L141 HydrophobicContact CD1-CD2 4.1Å; F101-L141 HydrophobicContact CD1-CG 4.21Å; F101-L141 HydrophobicContact CD2-CD2 3.97Å; F101-L141 HydrophobicContact CE1-CB 4.4Å; F101-L141 HydrophobicContact CE1-CD1 3.5Å; F101-L141 HydrophobicContact CE1-CD2 4.4Å; F101-L141 HydrophobicContact CE1-CG 4.29Å; F101-L141 HydrophobicContact CE2-CD1 4.22Å; F101-L141 HydrophobicContact CE2-CD2 4.31Å; F101-L141 HydrophobicContact CG-CB 4.49Å; F101-L141 HydrophobicContact CG-CD1 4.44Å; F101-L141 HydrophobicContact CG-CD2 3.87Å; F101-L141 HydrophobicContact CG-CG 4.48Å; F101-L141 HydrophobicContact CZ-CD1 3.67Å; K116-L141 HydrophobicContact CB-CD1 4.47Å; K116-L141 WeakPolarHBondContact O-CA 3.43Å; K116-L141 VanDerWaalsContact O-CD1 3.27Å; K116-L141 WeakPolarHBondContact O-CD1 3.48Å; L118-L141 HydrophobicContact CB-CD1 3.79Å; L132-L141 HydrophobicContact CD1-CD2 4.17Å; L132-L141 HydrophobicContact CG-CD2 4.44Å; T136-L141 HydrophobicContact CG2-CD2 3.9Å; S139-L141 PolarHBondContact O-N 2.87Å; S139-L141 VanDerWaalsContact O-N 3.12Å; S139-L141 WeakPolarHBondContact OG-CB 3.21Å; L141-I143 HydrophobicContact CD1-CG1 4.43Å; L141-I143 HydrophobicContact CD2-CD1 3.99Å; L141-I143 HydrophobicContact CD2-CG1 3.93Å; L141-I143 HydrophobicContact CG-CD1 4.24Å; L141-I143 HydrophobicContact CG-CG1 3.73Å
142Q94.4Very high94.6Very high77 Ų7730.5 Ų30.536%0.3619%0.186SC..EExtended strand (participates in β ladder)trans-93.8125.7168.9-68.8-65.9-16.400109.7C115 K116 C117 L118 D140C115-Q142 WeakPolarHBondContact SG-CG 3.47Å; K116-Q142 PolarHBondContact O-N 2.98Å; C117-Q142 WeakPolarHBondContact CA-O 3.33Å; L118-Q142 PolarHBondContact N-O 3.27Å; D140-Q142 PolarHBondContact O-N 3.13Å
143I98.1Very high94.8Very high1 Ų130.5 Ų30.51%0.00519%0.186CC..EExtended strand (participates in β ladder)trans-111.8132.1-174-55.9169.4000109.5L118 V129 L132 M133 L141 R166 C167 H168L118-I143 HydrophobicContact CD2-CG2 4.25Å; L118-I143 CarbonylContact O-C 3.52Å; L118-I143 WeakPolarHBondContact O-CA 3.4Å; V129-I143 HydrophobicContact CG2-CG2 3.47Å; V129-I143 VanDerWaalsContact CG2-CG2 3.47Å; L132-I143 HydrophobicContact CD2-CD1 4.13Å; L132-I143 HydrophobicContact CG-CD1 4.05Å; M133-I143 HydrophobicContact CB-CD1 4.48Å; M133-I143 HydrophobicContact CG-CD1 3.54Å; L141-I143 HydrophobicContact CD1-CG1 4.43Å; L141-I143 HydrophobicContact CD2-CD1 3.99Å; L141-I143 HydrophobicContact CD2-CG1 3.93Å; L141-I143 HydrophobicContact CG-CD1 4.24Å; L141-I143 HydrophobicContact CG-CG1 3.73Å; I143-R166 WeakPolarHBondContact CB-O 3.24Å; I143-R166 PolarHBondContact N-O 2.93Å; I143-C167 HydrophobicContact CB-CB 4.19Å; I143-C167 CarbonylContact O-C 3.32Å; I143-C167 VanDerWaalsContact O-CA 3.23Å; I143-C167 WeakPolarHBondContact O-CA 3.1Å; I143-H168 PolarHBondContact O-N 3Å
144Y98.7Very high95Very high43 Ų4333.7 Ų33.717%0.16920%0.203CC..EExtended strand (participates in β ladder)trans-108.9132.2167.1-66.3-76.4000107.1C117 L118 L119 E120 H168 F170 P182 F183 L188C117-Y144 HydrophobicContact CB-CE2 4.41Å; L118-Y144 PolarHBondContact O-N 3.11Å; L119-Y144 CarbonylContact C-O 3.6Å; L119-Y144 VanDerWaalsContact CA-O 3.3Å; L119-Y144 WeakPolarHBondContact CA-O 3.18Å; E120-Y144 PolarHBondContact N-O 2.87Å; Y144-H168 WeakPolarHBondContact CA-O 3.39Å; Y144-H168 HydrophobicContact CD1-CB 3.86Å; Y144-H168 HydrophobicContact CE1-CB 4.06Å; Y144-F170 HydrophobicContact CD1-CE1 4.37Å; Y144-P182 HydrophobicContact CD1-CB 4.42Å; Y144-P182 HydrophobicContact CD1-CG 3.83Å; Y144-P182 HydrophobicContact CE1-CB 4.06Å; Y144-P182 HydrophobicContact CE1-CG 3.97Å; Y144-P182 PolarHBondContact OH-O 3.23Å; Y144-F183 AromaticContact CD1-CD1 3.56Å; Y144-F183 HydrophobicContact CD1-CD1 3.56Å; Y144-F183 HydrophobicContact CD1-CE1 4.08Å; Y144-F183 AromaticContact CD2-CD1 3.76Å; Y144-F183 HydrophobicContact CD2-CD1 3.76Å; Y144-F183 HydrophobicContact CD2-CE1 4.39Å; Y144-F183 HydrophobicContact CD2-CG 4.43Å; Y144-F183 HydrophobicContact CE1-CB 4.38Å; Y144-F183 AromaticContact CE1-CD1 3.84Å; Y144-F183 HydrophobicContact CE1-CD1 3.84Å; Y144-F183 HydrophobicContact CE2-CB 4.01Å; Y144-F183 HydrophobicContact CE2-CD1 4.03Å; Y144-F183 HydrophobicContact CE2-CG 4.4Å; Y144-F183 AromaticContact CG-CD1 3.51Å; Y144-F183 HydrophobicContact CG-CD1 3.51Å; Y144-F183 AromaticContact CG-CE1 3.87Å; Y144-F183 HydrophobicContact CG-CE1 3.87Å; Y144-L188 HydrophobicContact CD2-CD2 3.95Å; Y144-L188 HydrophobicContact CE2-CD2 4.36Å
145A98.9Very high95.2Very high0 Ų029.1 Ų29.10%018%0.182CC..EExtended strand (participates in β ladder)trans-129.5123.3177.800000108.6C123 V129 L156 H168 A169 F170C123-A145 HydrophobicContact CB-CB 3.9Å; V129-A145 HydrophobicContact CB-CB 4.5Å; V129-A145 HydrophobicContact CG2-CB 4.03Å; A145-L156 HydrophobicContact CB-CD2 4.13Å; A145-H168 PolarHBondContact N-O 2.66Å; A145-A169 CarbonylContact O-C 3.59Å; A145-A169 WeakPolarHBondContact O-CA 3.33Å; A145-F170 PolarHBondContact O-N 2.94Å
146C98.8Very high95.5Very high0 Ų027.6 Ų27.60%017%0.17CC..EExtended strand (participates in β ladder)trans-127143.8177.269.30000112.5E120 V121 G122 C123 F170 W172E120-C146 PolarHBondContact O-N 2.62Å; V121-C146 CarbonylContact C-O 3.58Å; G122-C146 WeakPolarHBondContact CA-O 3.15Å; G122-C146 PolarHBondContact N-O 3.3Å; C123-C146 PolarHBondContact N-O 2.86Å; C146-F170 VanDerWaalsContact CA-O 3.22Å; C146-F170 WeakPolarHBondContact CA-O 3.33Å; C146-F170 HydrophobicContact CB-CD1 4.31Å; C146-F170 HydrophobicContact CB-CD2 4.03Å; C146-F170 HydrophobicContact CB-CE1 3.91Å; C146-F170 HydrophobicContact CB-CE2 3.59Å; C146-F170 HydrophobicContact CB-CG 4.37Å; C146-F170 HydrophobicContact CB-CZ 3.54Å; C146-F170 WeakPolarHBondContact CB-O 3.43Å; C146-W172 HydrophobicContact CB-CB 4.07Å
147D98.7Very high95.8Very high8 Ų832.7 Ų32.74%0.04319%0.189CC..EExtended strand (participates in β ladder)trans-132.9154.6164.9-157-79.9000108.8G122 G124 S149 A152 V153 F170 V171 W172G122-D147 VanDerWaalsContact C-OD2 3.31Å; G122-D147 WeakPolarHBondContact CA-OD2 3.25Å; G124-D147 VanDerWaalsContact CA-OD2 3.31Å; G124-D147 WeakPolarHBondContact CA-OD2 3.35Å; G124-D147 PolarHBondContact N-OD2 3.18Å; D147-S149 VanDerWaalsContact C-N 3.27Å; D147-S149 WeakPolarHBondContact OD1-CB 3.37Å; D147-S149 PolarHBondContact OD1-N 3.29Å; D147-A152 HydrophobicContact CB-CB 4.17Å; D147-V153 HydrophobicContact CB-CG2 3.8Å; D147-F170 PolarHBondContact N-O 3.09Å; D147-V171 VanDerWaalsContact O-CA 3.31Å; D147-V171 WeakPolarHBondContact O-CA 3.47Å; D147-W172 CarbonylContact C-O 3.49Å; D147-W172 PolarHBondContact O-N 3.22Å
148F97.3Very high96.2Very high50 Ų5037 Ų3722%0.21920%0.2CC..SBendtrans-79.9-17.8177.595.4-66.7000111.4W73 P150 W172 D173W73-F148 HydrophobicContact CB-CE1 3.31Å; W73-F148 HydrophobicContact CB-CZ 3.34Å; W73-F148 AromaticContact CD1-CE1 3.33Å; W73-F148 AromaticContact CD1-CZ 3.19Å; W73-F148 HydrophobicContact CD2-CE1 4.15Å; W73-F148 AromaticContact CG-CE1 3.29Å; W73-F148 HydrophobicContact CG-CE1 3.29Å; W73-F148 AromaticContact CG-CZ 3.44Å; W73-F148 HydrophobicContact CG-CZ 3.44Å; W73-F148 VanDerWaalsContact CG-CZ 3.44Å; F148-P150 WeakPolarHBondContact O-CD 3.49Å; F148-W172 WeakPolarHBondContact CA-O 3.28Å; F148-W172 PolarHBondContact N-O 2.85Å; F148-D173 HydrophobicContact CB-CB 4.38Å
149S98.2Very high96.7Very high0 Ų034.4 Ų34.40%017%0.17CC..  trans-86.8114.2173.9174.70000111D74 D147 V151 A152 V153D74-S149 WeakPolarHBondContact OD1-CB 3.22Å; D74-S149 PolarHBondContact OD1-OG 2.88Å; D147-S149 VanDerWaalsContact C-N 3.27Å; D147-S149 WeakPolarHBondContact OD1-CB 3.37Å; D147-S149 PolarHBondContact OD1-N 3.29Å; S149-V151 PolarHBondContact O-N 3.43Å; S149-V151 PolarHBondContact OG-N 3.47Å; S149-A152 WeakPolarHBondContact O-CB 3.48Å; S149-A152 PolarHBondContact O-N 3.34Å; S149-A152 VanDerWaalsContact O-N 3.13Å; S149-A152 PolarHBondContact OG-N 3.38Å; S149-V153 PolarHBondContact O-N 2.88Å
150P98.2Very high97Very high55 Ų5543 Ų4336%0.35721%0.209SC..Hα-helixtrans-59-33.5172.823.3-33.6000112.4D74 F148 A152 V153 D154 V171D74-P150 WeakPolarHBondContact OD1-CD 3.2Å; F148-P150 WeakPolarHBondContact O-CD 3.49Å; P150-A152 VanDerWaalsContact C-N 3.33Å; P150-A152 PolarHBondContact O-N 3.49Å; P150-V153 PolarHBondContact O-N 3.44Å; P150-D154 WeakPolarHBondContact O-CB 3.46Å; P150-D154 VanDerWaalsContact O-CG 3.3Å; P150-D154 PolarHBondContact O-N 2.87Å; P150-V171 HydrophobicContact CB-CG2 3.97Å
151V98.6Very high97.4Very high22 Ų2243.5 Ų43.513%0.13321%0.208CC..Hα-helixtrans-61.8-42.6176.6179.60000111.2D74 R78 S149 D154 L155D74-V151 HydrophobicContact CB-CG2 4.14Å; R78-V151 HydrophobicContact CG-CG1 3.83Å; R78-V151 HydrophobicContact CG-CG2 4.15Å; S149-V151 PolarHBondContact O-N 3.43Å; S149-V151 PolarHBondContact OG-N 3.47Å; V151-D154 PolarHBondContact O-N 3.09Å; V151-L155 HydrophobicContact CG1-CD1 4.06Å; V151-L155 WeakPolarHBondContact O-CB 3.42Å; V151-L155 VanDerWaalsContact O-CG 3.27Å; V151-L155 WeakPolarHBondContact O-CG 3.38Å; V151-L155 PolarHBondContact O-N 2.93Å
152A98.6Very high97.6Very high0 Ų045 Ų450%022%0.215CC..Hα-helixtrans-64.1-47.1179.500000111.6Y77 G124 D147 S149 P150 D154 L155 L156Y77-A152 HydrophobicContact CD1-CB 4.16Å; Y77-A152 HydrophobicContact CD2-CB 3.53Å; Y77-A152 HydrophobicContact CE1-CB 4.21Å; Y77-A152 HydrophobicContact CE2-CB 3.59Å; Y77-A152 HydrophobicContact CG-CB 3.83Å; G124-A152 CarbonylContact O-C 3.54Å; D147-A152 HydrophobicContact CB-CB 4.17Å; S149-A152 WeakPolarHBondContact O-CB 3.48Å; S149-A152 PolarHBondContact O-N 3.34Å; S149-A152 VanDerWaalsContact O-N 3.13Å; S149-A152 PolarHBondContact OG-N 3.38Å; P150-A152 VanDerWaalsContact C-N 3.33Å; P150-A152 PolarHBondContact O-N 3.49Å; A152-D154 VanDerWaalsContact C-N 3.34Å; A152-D154 PolarHBondContact O-N 2.9Å; A152-L155 PolarHBondContact O-N 3.37Å; A152-L156 PolarHBondContact O-N 3.23Å
153V98.7Very high97.7Very high0 Ų044.4 Ų44.40%021%0.214CC..Hα-helixtrans-62-41.9178.5179.90000111.2D147 S149 P150 L156 R157 A169 F170 V171D147-V153 HydrophobicContact CB-CG2 3.8Å; S149-V153 PolarHBondContact O-N 2.88Å; P150-V153 PolarHBondContact O-N 3.44Å; V153-L156 WeakPolarHBondContact O-CB 3.33Å; V153-L156 PolarHBondContact O-N 3.03Å; V153-R157 WeakPolarHBondContact O-CG 3.44Å; V153-R157 PolarHBondContact O-N 3.39Å; V153-A169 HydrophobicContact CG1-CB 4.1Å; V153-F170 WeakPolarHBondContact CG2-O 3.28Å; V153-V171 HydrophobicContact CB-CG2 4.13Å; V153-V171 HydrophobicContact CG1-CG2 4.38Å; V153-V171 HydrophobicContact CG2-CG2 3.97Å
154D98.6Very high97.6Very high72 Ų7248.1 Ų48.139%0.38525%0.245SC..Hα-helixtrans-66.3-38.9177.7-74-16.2000112.2P150 V151 A152 R157 Q158P150-D154 WeakPolarHBondContact O-CB 3.46Å; P150-D154 VanDerWaalsContact O-CG 3.3Å; P150-D154 PolarHBondContact O-N 2.87Å; V151-D154 PolarHBondContact O-N 3.09Å; A152-D154 VanDerWaalsContact C-N 3.34Å; A152-D154 PolarHBondContact O-N 2.9Å; D154-R157 PolarHBondContact O-N 3.38Å; D154-R157 IonicContact OD1-NH1 3.71Å; D154-R157 PolarHBondContact OD1-NH1 3.24Å; D154-Q158 WeakPolarHBondContact O-CB 3.42Å; D154-Q158 WeakPolarHBondContact O-CG 3.29Å; D154-Q158 PolarHBondContact O-N 3.27Å; D154-Q158 VanDerWaalsContact O-N 3.12Å
155L98.5Very high97.4Very high14 Ų1450.1 Ų50.17%0.07327%0.265CS..Hα-helixtrans-64.1-39.7173.8-74.5169.1000112.2V125 V151 A152 Q158 S159V125-L155 HydrophobicContact CB-CB 4.46Å; V125-L155 HydrophobicContact CG1-CB 3.79Å; V125-L155 HydrophobicContact CG1-CD1 3.84Å; V125-L155 HydrophobicContact CG1-CG 4.5Å; V151-L155 HydrophobicContact CG1-CD1 4.06Å; V151-L155 WeakPolarHBondContact O-CB 3.42Å; V151-L155 VanDerWaalsContact O-CG 3.27Å; V151-L155 WeakPolarHBondContact O-CG 3.38Å; V151-L155 PolarHBondContact O-N 2.93Å; A152-L155 PolarHBondContact O-N 3.37Å; L155-Q158 PolarHBondContact O-N 3.36Å; L155-S159 PolarHBondContact O-N 3.4Å
156L98.6Very high97.1Very high0 Ų051.6 Ų51.60%027%0.271CS..Hα-helixtrans-59.9-49173.3170.654.3000111V129 I130 A145 A152 V153 Q158 S159 F162 A169V129-L156 HydrophobicContact CG1-CD1 3.73Å; V129-L156 HydrophobicContact CG1-CD2 3.91Å; V129-L156 HydrophobicContact CG1-CG 4.47Å; I130-L156 HydrophobicContact CD1-CD1 3.98Å; I130-L156 HydrophobicContact CG1-CD1 4.04Å; A145-L156 HydrophobicContact CB-CD2 4.13Å; A152-L156 PolarHBondContact O-N 3.23Å; V153-L156 WeakPolarHBondContact O-CB 3.33Å; V153-L156 PolarHBondContact O-N 3.03Å; L156-Q158 PolarHBondContact O-N 3.06Å; L156-S159 WeakPolarHBondContact O-CB 3.31Å; L156-S159 PolarHBondContact O-N 2.95Å; L156-S159 VanDerWaalsContact O-N 3.14Å; L156-F162 HydrophobicContact CD1-CD2 3.62Å; L156-F162 HydrophobicContact CD1-CE2 4.18Å; L156-F162 HydrophobicContact CD2-CE2 4.29Å; L156-F162 HydrophobicContact CG-CD2 3.79Å; L156-F162 HydrophobicContact CG-CE2 3.92Å; L156-F162 WeakPolarHBondContact O-CB 3.43Å; L156-A169 HydrophobicContact CD2-CB 3.97Å; L156-A169 HydrophobicContact CG-CB 4.44Å
157R98.5Very high97Very high107 Ų10751.7 Ų51.740%0.40427%0.271SS..Hα-helixtrans-63.6-23.3179.8-68.9175.7-172.1141.3-10.1113.8V153 D154 F162 A169V153-R157 WeakPolarHBondContact O-CG 3.44Å; V153-R157 PolarHBondContact O-N 3.39Å; D154-R157 PolarHBondContact O-N 3.38Å; D154-R157 IonicContact OD1-NH1 3.71Å; D154-R157 PolarHBondContact OD1-NH1 3.24Å; R157-F162 HydrophobicContact CG-CE1 4.16Å; R157-F162 HydrophobicContact CG-CZ 4.32Å; R157-A169 HydrophobicContact CG-CB 4.09Å; R157-A169 PolarHBondContact NE-O 3.05Å; R157-A169 PolarHBondContact NH2-O 3.4Å
158Q97.3Very high97Very high140 Ų14056 Ų5665%0.65429%0.291SS*.THydrogen-bonded Turntrans-88.2-8.7179-71.716924.400113.6D154 L155 L156D154-Q158 WeakPolarHBondContact O-CB 3.42Å; D154-Q158 WeakPolarHBondContact O-CG 3.29Å; D154-Q158 PolarHBondContact O-N 3.27Å; D154-Q158 VanDerWaalsContact O-N 3.12Å; L155-Q158 PolarHBondContact O-N 3.36Å; L156-Q158 PolarHBondContact O-N 3.06Å
159S95.6Very high97.1Very high22 Ų2253.9 Ų53.915%0.15428%0.283CS..SBendtrans-64.9137.7174.6155.60000110.3I130 L155 L156 E161 F162I130-S159 WeakPolarHBondContact CD1-OG 3.27Å; L155-S159 PolarHBondContact O-N 3.4Å; L156-S159 WeakPolarHBondContact O-CB 3.31Å; L156-S159 PolarHBondContact O-N 2.95Å; L156-S159 VanDerWaalsContact O-N 3.14Å; S159-E161 PolarHBondContact O-N 3.4Å; S159-E161 PolarHBondContact OG-N 3.41Å; S159-E161 PolarHBondContact OG-OE2 2.92Å; S159-F162 WeakPolarHBondContact O-CB 3.46Å; S159-F162 PolarHBondContact O-N 2.92Å; S159-F162 VanDerWaalsContact O-N 3.11Å
160E94.7Very high97.1Very high194 Ų19454.7 Ų54.791%0.90729%0.286SS*.THydrogen-bonded Turntrans-64.6-24.9177.2-64-176173.800111.9F162E160-F162 VanDerWaalsContact C-N 3.32Å
161E94Very high97.1Very high106 Ų10655 Ų5550%0.49529%0.287SS..THydrogen-bonded Turntrans-84.1-4.3177.7-53.591.5153.600113.5I130 S159 D163I130-E161 HydrophobicContact CG2-CB 3.68Å; I130-E161 HydrophobicContact CG2-CG 4.37Å; S159-E161 PolarHBondContact O-N 3.4Å; S159-E161 PolarHBondContact OG-N 3.41Å; S159-E161 PolarHBondContact OG-OE2 2.92Å; E161-D163 PolarHBondContact O-N 3.22Å
162F97Very high97.1Very high34 Ų3454.2 Ų54.215%0.14928%0.282CS..  trans-79.1118.3178.3-174.9-100.2000111.5M133 L156 R157 S159 E160 A164 C167 A169M133-F162 HydrophobicContact CE-CD2 4.15Å; L156-F162 HydrophobicContact CD1-CD2 3.62Å; L156-F162 HydrophobicContact CD1-CE2 4.18Å; L156-F162 HydrophobicContact CD2-CE2 4.29Å; L156-F162 HydrophobicContact CG-CD2 3.79Å; L156-F162 HydrophobicContact CG-CE2 3.92Å; L156-F162 WeakPolarHBondContact O-CB 3.43Å; R157-F162 HydrophobicContact CG-CE1 4.16Å; R157-F162 HydrophobicContact CG-CZ 4.32Å; S159-F162 WeakPolarHBondContact O-CB 3.46Å; S159-F162 PolarHBondContact O-N 2.92Å; S159-F162 VanDerWaalsContact O-N 3.11Å; E160-F162 VanDerWaalsContact C-N 3.32Å; F162-A164 HydrophobicContact CD1-CB 4.48Å; F162-A164 HydrophobicContact CE1-CB 3.93Å; F162-C167 HydrophobicContact CE2-CB 3.83Å; F162-C167 HydrophobicContact CZ-CB 4.2Å; F162-C167 VanDerWaalsContact CZ-O 3.23Å; F162-C167 WeakPolarHBondContact CZ-O 3.28Å; F162-A169 HydrophobicContact CE2-CB 3.89Å; F162-A169 HydrophobicContact CZ-CB 3.75Å
163D95.8Very high97.1Very high65 Ų6557.1 Ų57.135%0.34830%0.297SS..  trans-106.6100.4176.4-177.9-2.9000110.6M133 E161 S165 R166 C167M133-D163 HydrophobicContact SD-CB 4.47Å; E161-D163 PolarHBondContact O-N 3.22Å; D163-S165 VanDerWaalsContact CG-OG 3.28Å; D163-S165 PolarHBondContact O-N 3.35Å; D163-S165 VanDerWaalsContact O-N 3.14Å; D163-S165 VanDerWaalsContact OD1-CB 3.32Å; D163-S165 WeakPolarHBondContact OD1-CB 3.31Å; D163-S165 PolarHBondContact OD1-N 2.9Å; D163-S165 PolarHBondContact OD1-OG 2.83Å; D163-S165 PolarHBondContact OD2-OG 3.21Å; D163-R166 HydrophobicContact CB-CB 4.5Å; D163-R166 PolarHBondContact O-N 2.64Å; D163-R166 WeakPolarHBondContact OD2-CD 3.33Å; D163-R166 WeakPolarHBondContact OD2-CG 3.29Å; D163-C167 PolarHBondContact O-N 2.99Å
164A96.2Very high97.1Very high78 Ų7857.4 Ų57.465%0.64530%0.299SS*.THydrogen-bonded Turntrans-63.5-1618000000114F162 R166F162-A164 HydrophobicContact CD1-CB 4.48Å; F162-A164 HydrophobicContact CE1-CB 3.93Å; A164-R166 VanDerWaalsContact C-N 3.28Å
165S93.6Very high97Very high86 Ų8654.9 Ų54.960%0.60129%0.286SS*.THydrogen-bonded Turntrans-77.6-16.3174.8760000113D163D163-S165 VanDerWaalsContact CG-OG 3.28Å; D163-S165 PolarHBondContact O-N 3.35Å; D163-S165 VanDerWaalsContact O-N 3.14Å; D163-S165 VanDerWaalsContact OD1-CB 3.32Å; D163-S165 WeakPolarHBondContact OD1-CB 3.31Å; D163-S165 PolarHBondContact OD1-N 2.9Å; D163-S165 PolarHBondContact OD1-OG 2.83Å; D163-S165 PolarHBondContact OD2-OG 3.21Å
166R93.2Very high96.9Very high30 Ų3056.5 Ų56.511%0.11330%0.295CS..THydrogen-bonded Turntrans-118-23.8-177-62.5-169.564.7-137.8-11.1113.6M133 T136 A137 I143 D163 A164M133-R166 PolarHBondContact O-NH1 3.48Å; T136-R166 PolarHBondContact O-NH2 3.46Å; T136-R166 PolarHBondContact OG1-NH2 3.23Å; A137-R166 VanDerWaalsContact CA-NH1 3.31Å; I143-R166 WeakPolarHBondContact CB-O 3.24Å; I143-R166 PolarHBondContact N-O 2.93Å; D163-R166 HydrophobicContact CB-CB 4.5Å; D163-R166 PolarHBondContact O-N 2.64Å; D163-R166 WeakPolarHBondContact OD2-CD 3.33Å; D163-R166 WeakPolarHBondContact OD2-CG 3.29Å; A164-R166 VanDerWaalsContact C-N 3.28Å
167C97.7Very high96.7Very high3 Ų361.4 Ų61.42%0.0232%0.318CS..EExtended strand (participates in β ladder)trans-128.9122.4-179.5-175.90000111.8M133 I143 F162 D163M133-C167 HydrophobicContact CE-CB 4.48Å; M133-C167 HydrophobicContact CG-CB 4.38Å; M133-C167 HydrophobicContact SD-CB 3.39Å; M133-C167 WeakPolarHBondContact SD-CB 3.36Å; I143-C167 HydrophobicContact CB-CB 4.19Å; I143-C167 CarbonylContact O-C 3.32Å; I143-C167 VanDerWaalsContact O-CA 3.23Å; I143-C167 WeakPolarHBondContact O-CA 3.1Å; F162-C167 HydrophobicContact CE2-CB 3.83Å; F162-C167 HydrophobicContact CZ-CB 4.2Å; F162-C167 VanDerWaalsContact CZ-O 3.23Å; F162-C167 WeakPolarHBondContact CZ-O 3.28Å; D163-C167 PolarHBondContact O-N 2.99Å
168H98.3Very high96.5Very high99 Ų9965.3 Ų65.346%0.45834%0.338SS..EExtended strand (participates in β ladder)trans-96.8102.9168.8-170.390.4000109.8I143 Y144 A145 F170I143-H168 PolarHBondContact O-N 3Å; Y144-H168 WeakPolarHBondContact CA-O 3.39Å; Y144-H168 HydrophobicContact CD1-CB 3.86Å; Y144-H168 HydrophobicContact CE1-CB 4.06Å; A145-H168 PolarHBondContact N-O 2.66Å; H168-F170 AromaticContact CD2-CD1 3.76Å
169A98.8Very high96.4Very high5 Ų561.2 Ų61.24%0.04132%0.323CS..EExtended strand (participates in β ladder)trans-90.4132.1176.700000111.1A145 V153 L156 R157 F162A145-A169 CarbonylContact O-C 3.59Å; A145-A169 WeakPolarHBondContact O-CA 3.33Å; V153-A169 HydrophobicContact CG1-CB 4.1Å; L156-A169 HydrophobicContact CD2-CB 3.97Å; L156-A169 HydrophobicContact CG-CB 4.44Å; R157-A169 HydrophobicContact CG-CB 4.09Å; R157-A169 PolarHBondContact NE-O 3.05Å; R157-A169 PolarHBondContact NH2-O 3.4Å; F162-A169 HydrophobicContact CE2-CB 3.89Å; F162-A169 HydrophobicContact CZ-CB 3.75Å
170F98.7Very high96.3Very high16 Ų1669.3 Ų69.37%0.0736%0.358CS..EExtended strand (participates in β ladder)trans-149.3162.8-177.564.2-78.2000112.8L119 Y144 A145 C146 D147 V153 H168 W172 L181 P182 F183L119-F170 HydrophobicContact CD1-CE1 4.29Å; L119-F170 HydrophobicContact CD1-CZ 4.08Å; Y144-F170 HydrophobicContact CD1-CE1 4.37Å; A145-F170 PolarHBondContact O-N 2.94Å; C146-F170 VanDerWaalsContact CA-O 3.22Å; C146-F170 WeakPolarHBondContact CA-O 3.33Å; C146-F170 HydrophobicContact CB-CD1 4.31Å; C146-F170 HydrophobicContact CB-CD2 4.03Å; C146-F170 HydrophobicContact CB-CE1 3.91Å; C146-F170 HydrophobicContact CB-CE2 3.59Å; C146-F170 HydrophobicContact CB-CG 4.37Å; C146-F170 HydrophobicContact CB-CZ 3.54Å; C146-F170 WeakPolarHBondContact CB-O 3.43Å; D147-F170 PolarHBondContact N-O 3.09Å; V153-F170 WeakPolarHBondContact CG2-O 3.28Å; H168-F170 AromaticContact CD2-CD1 3.76Å; F170-W172 HydrophobicContact CD2-CB 3.97Å; F170-W172 HydrophobicContact CE2-CB 3.65Å; F170-W172 HydrophobicContact CE2-CE3 4.47Å; F170-W172 HydrophobicContact CE2-CG 4.29Å; F170-L181 HydrophobicContact CE2-CD2 3.83Å; F170-P182 HydrophobicContact CD1-CG 3.79Å; F170-P182 HydrophobicContact CD2-CG 4.49Å; F170-P182 HydrophobicContact CE1-CG 3.75Å; F170-P182 HydrophobicContact CE2-CG 4.46Å; F170-P182 HydrophobicContact CG-CG 4.17Å; F170-P182 HydrophobicContact CZ-CG 4.1Å; F170-F183 AromaticContact CE1-CE1 3.99Å; F170-F183 HydrophobicContact CE1-CE1 3.99Å; F170-F183 AromaticContact CZ-CE1 3.61Å; F170-F183 HydrophobicContact CZ-CE1 3.61Å; F170-F183 HydrophobicContact CZ-CZ 4.11Å
171V98.5Very high96.5Very high62 Ų6261.2 Ų61.238%0.37632%0.321SS..EExtended strand (participates in β ladder)trans-90.9126.1179.1-177.30000109.3D147 P150 V153D147-V171 VanDerWaalsContact O-CA 3.31Å; D147-V171 WeakPolarHBondContact O-CA 3.47Å; P150-V171 HydrophobicContact CB-CG2 3.97Å; V153-V171 HydrophobicContact CB-CG2 4.13Å; V153-V171 HydrophobicContact CG1-CG2 4.38Å; V153-V171 HydrophobicContact CG2-CG2 3.97Å
172W98.6Very high96.6Very high5 Ų558.6 Ų58.62%0.01931%0.313CS..  trans-152.8125.8174.3-179.244000110.6L119 V121 C146 D147 F148 F170 I174 D176 L181 N211L119-W172 HydrophobicContact CD2-CZ3 4.18Å; V121-W172 HydrophobicContact CG2-CZ3 4.45Å; C146-W172 HydrophobicContact CB-CB 4.07Å; D147-W172 CarbonylContact C-O 3.49Å; D147-W172 PolarHBondContact O-N 3.22Å; F148-W172 WeakPolarHBondContact CA-O 3.28Å; F148-W172 PolarHBondContact N-O 2.85Å; F170-W172 HydrophobicContact CD2-CB 3.97Å; F170-W172 HydrophobicContact CE2-CB 3.65Å; F170-W172 HydrophobicContact CE2-CE3 4.47Å; F170-W172 HydrophobicContact CE2-CG 4.29Å; W172-I174 HydrophobicContact CH2-CG1 4.09Å; W172-I174 HydrophobicContact CZ3-CG1 4.3Å; W172-I174 PolarHBondContact O-N 3.04Å; W172-D176 PolarHBondContact NE1-O 3.24Å; W172-D176 VanDerWaalsContact NE1-O 3.17Å; W172-L181 HydrophobicContact CB-CD2 4.4Å; W172-L181 HydrophobicContact CD2-CD1 4.11Å; W172-L181 HydrophobicContact CD2-CD2 3.87Å; W172-L181 HydrophobicContact CE3-CD1 4.18Å; W172-L181 HydrophobicContact CE3-CD2 4.48Å; W172-L181 HydrophobicContact CG-CD2 3.79Å; W172-L181 HydrophobicContact CH2-CD1 4Å; W172-L181 HydrophobicContact CZ2-CD1 3.89Å; W172-L181 HydrophobicContact CZ3-CD1 4.15Å; W172-N211 HydrophobicContact CH2-CB 4.22Å; W172-N211 HydrophobicContact CZ2-CB 4.08Å
173D98.1Very high96.6Very high61 Ų6157.7 Ų57.733%0.32631%0.309SS..  trans-76.5113.4160.4-179.2-5.7000107.5F148 C175 D176F148-D173 HydrophobicContact CB-CB 4.38Å; D173-C175 PolarHBondContact O-N 2.85Å; D173-C175 VanDerWaalsContact OD1-CB 3.3Å; D173-C175 WeakPolarHBondContact OD1-CB 3.37Å; D173-C175 PolarHBondContact OD1-N 3.21Å; D173-C175 PolarHBondContact OD1-SG 2.82Å; D173-D176 HydrophobicContact CB-CB 4.31Å; D173-D176 WeakPolarHBondContact O-CB 3.35Å; D173-D176 PolarHBondContact O-N 3.34Å
174I98.2Very high96.7Very high6 Ų662.2 Ų62.23%0.03133%0.328CS..THydrogen-bonded Turntrans-54.2-22.8177.2-174.3171.2000113.2V121 W172 D176 L200 A208 N211 I212V121-I174 HydrophobicContact CB-CD1 4.37Å; V121-I174 HydrophobicContact CG1-CB 3.98Å; V121-I174 HydrophobicContact CG1-CD1 3.64Å; V121-I174 HydrophobicContact CG1-CG1 4.22Å; V121-I174 HydrophobicContact CG2-CD1 4.25Å; W172-I174 HydrophobicContact CH2-CG1 4.09Å; W172-I174 HydrophobicContact CZ3-CG1 4.3Å; W172-I174 PolarHBondContact O-N 3.04Å; I174-D176 VanDerWaalsContact C-N 3.34Å; I174-L200 HydrophobicContact CG2-CD1 3.85Å; I174-L200 HydrophobicContact CG2-CD2 4.37Å; I174-A208 HydrophobicContact CD1-CB 3.99Å; I174-A208 HydrophobicContact CG1-CB 3.91Å; I174-A208 HydrophobicContact CG2-CB 4.08Å; I174-N211 PolarHBondContact O-ND2 3.06Å; I174-I212 HydrophobicContact CD1-CD1 3.25Å; I174-I212 HydrophobicContact CD1-CG1 3.58Å; I174-I212 HydrophobicContact CG1-CD1 4.36Å; I174-I212 HydrophobicContact CG1-CG1 4.24Å
175C97.7Very high96.7Very high19 Ų1964 Ų6413%0.12832%0.323CS..THydrogen-bonded Turntrans-80-14.5176.1-53.40000113.3D173 K204D173-C175 PolarHBondContact O-N 2.85Å; D173-C175 VanDerWaalsContact OD1-CB 3.3Å; D173-C175 WeakPolarHBondContact OD1-CB 3.37Å; D173-C175 PolarHBondContact OD1-N 3.21Å; D173-C175 PolarHBondContact OD1-SG 2.82Å; C175-K204 HydrophobicContact CB-CD 4.29Å
176D96.7Very high96.9Very high48 Ų4863.3 Ų63.326%0.25731%0.313SS..  trans-83.5127.9178.8-178.936.3000111.8W172 D173 I174 K178 T179 N211W172-D176 PolarHBondContact NE1-O 3.24Å; W172-D176 VanDerWaalsContact NE1-O 3.17Å; D173-D176 HydrophobicContact CB-CB 4.31Å; D173-D176 WeakPolarHBondContact O-CB 3.35Å; D173-D176 PolarHBondContact O-N 3.34Å; I174-D176 VanDerWaalsContact C-N 3.34Å; D176-K178 PolarHBondContact OD1-N 2.93Å; D176-T179 WeakPolarHBondContact OD2-CB 3.3Å; D176-T179 PolarHBondContact OD2-N 2.82Å; D176-T179 PolarHBondContact OD2-OG1 2.87Å; D176-N211 PolarHBondContact O-ND2 2.79Å
177E94Very high97.1Very high104 Ų10463.6 Ų63.649%0.48632%0.319SS..SBendtrans-91.8-17.8-179.6-65.1179.8-96.200113Q207 N211 R214E177-Q207 HydrophobicContact CG-CG 4.44Å; E177-Q207 VanDerWaalsContact CG-NE2 3.25Å; E177-Q207 PolarHBondContact OE2-NE2 3.31Å; E177-Q207 VanDerWaalsContact OE2-NE2 3.11Å; E177-N211 WeakPolarHBondContact CG-OD1 3.33Å; E177-R214 PolarHBondContact O-NH2 2.89Å
178K93.9Very high97.1Very high189 Ų18963.4 Ų63.482%0.82232%0.318SS*.SBendtrans-93.1-27.4-167-61.4178.8-178176.30113.8D176 E180D176-K178 PolarHBondContact OD1-N 2.93Å; K178-E180 PolarHBondContact O-N 3.24Å
179T94.4Very high97Very high54 Ų5459.6 Ų59.633%0.33130%0.301SS..SBendtrans-59.9126.1179.2-64.50000110.6D176 L181D176-T179 WeakPolarHBondContact OD2-CB 3.3Å; D176-T179 PolarHBondContact OD2-N 2.82Å; D176-T179 PolarHBondContact OD2-OG1 2.87Å; T179-L181 HydrophobicContact CG2-CD2 3.94Å
180E95.2Very high97Very high191 Ų19160.2 Ų60.289%0.89330%0.303SS*.PPolyproline II helixtrans-71.2126.7169.3-68.9-178.6-178.900109.6K178K178-E180 PolarHBondContact O-N 3.24Å
181L98Very high97Very high25 Ų2559.5 Ų59.513%0.13130%0.3CS..PPolyproline II helixtrans-100.4153.4-175.3-60.7-168.7000111.4F170 W172 T179 F183 Y215F170-L181 HydrophobicContact CE2-CD2 3.83Å; W172-L181 HydrophobicContact CB-CD2 4.4Å; W172-L181 HydrophobicContact CD2-CD1 4.11Å; W172-L181 HydrophobicContact CD2-CD2 3.87Å; W172-L181 HydrophobicContact CE3-CD1 4.18Å; W172-L181 HydrophobicContact CE3-CD2 4.48Å; W172-L181 HydrophobicContact CG-CD2 3.79Å; W172-L181 HydrophobicContact CH2-CD1 4Å; W172-L181 HydrophobicContact CZ2-CD1 3.89Å; W172-L181 HydrophobicContact CZ3-CD1 4.15Å; T179-L181 HydrophobicContact CG2-CD2 3.94Å; L181-F183 HydrophobicContact CB-CD2 4.31Å; L181-F183 HydrophobicContact CB-CE1 4.34Å; L181-F183 HydrophobicContact CB-CE2 3.98Å; L181-F183 HydrophobicContact CB-CZ 3.99Å; L181-F183 HydrophobicContact CD1-CE2 3.6Å; L181-F183 HydrophobicContact CD1-CZ 3.56Å; L181-F183 HydrophobicContact CG-CE2 4.45Å; L181-F183 HydrophobicContact CG-CZ 4.36Å; L181-F183 PolarHBondContact O-N 3.4Å; L181-Y215 HydrophobicContact CB-CE1 4.41Å; L181-Y215 HydrophobicContact CD1-CD2 3.87Å; L181-Y215 HydrophobicContact CD1-CE1 4.05Å; L181-Y215 HydrophobicContact CD1-CE2 3.31Å; L181-Y215 HydrophobicContact CD1-CG 4.46Å; L181-Y215 HydrophobicContact CG-CE1 4.48Å; L181-Y215 HydrophobicContact CG-CE2 4.32Å
182P97.1Very high97Very high51 Ų5156.5 Ų56.533%0.33128%0.282SS..SBendtrans-74.813.9-177.231.9-36.4000113.8Y144 F170Y144-P182 HydrophobicContact CD1-CB 4.42Å; Y144-P182 HydrophobicContact CD1-CG 3.83Å; Y144-P182 HydrophobicContact CE1-CB 4.06Å; Y144-P182 HydrophobicContact CE1-CG 3.97Å; Y144-P182 PolarHBondContact OH-O 3.23Å; F170-P182 HydrophobicContact CD1-CG 3.79Å; F170-P182 HydrophobicContact CD2-CG 4.49Å; F170-P182 HydrophobicContact CE1-CG 3.75Å; F170-P182 HydrophobicContact CE2-CG 4.46Å; F170-P182 HydrophobicContact CG-CG 4.17Å; F170-P182 HydrophobicContact CZ-CG 4.1Å
183F96.5Very high97Very high15 Ų1556.3 Ų56.37%0.06628%0.281CS..SBendtrans-143.2157.4178.546.4-98.5000110.3L119 Y144 F170 L181 L188 Y215L119-F183 HydrophobicContact CD1-CE1 4.01Å; L119-F183 HydrophobicContact CD1-CZ 4.11Å; L119-F183 HydrophobicContact CD2-CE1 4.5Å; L119-F183 HydrophobicContact CD2-CE2 4.5Å; L119-F183 HydrophobicContact CD2-CZ 3.81Å; L119-F183 HydrophobicContact CG-CZ 4.49Å; Y144-F183 AromaticContact CD1-CD1 3.56Å; Y144-F183 HydrophobicContact CD1-CD1 3.56Å; Y144-F183 HydrophobicContact CD1-CE1 4.08Å; Y144-F183 AromaticContact CD2-CD1 3.76Å; Y144-F183 HydrophobicContact CD2-CD1 3.76Å; Y144-F183 HydrophobicContact CD2-CE1 4.39Å; Y144-F183 HydrophobicContact CD2-CG 4.43Å; Y144-F183 HydrophobicContact CE1-CB 4.38Å; Y144-F183 AromaticContact CE1-CD1 3.84Å; Y144-F183 HydrophobicContact CE1-CD1 3.84Å; Y144-F183 HydrophobicContact CE2-CB 4.01Å; Y144-F183 HydrophobicContact CE2-CD1 4.03Å; Y144-F183 HydrophobicContact CE2-CG 4.4Å; Y144-F183 AromaticContact CG-CD1 3.51Å; Y144-F183 HydrophobicContact CG-CD1 3.51Å; Y144-F183 AromaticContact CG-CE1 3.87Å; Y144-F183 HydrophobicContact CG-CE1 3.87Å; F170-F183 AromaticContact CE1-CE1 3.99Å; F170-F183 HydrophobicContact CE1-CE1 3.99Å; F170-F183 AromaticContact CZ-CE1 3.61Å; F170-F183 HydrophobicContact CZ-CE1 3.61Å; F170-F183 HydrophobicContact CZ-CZ 4.11Å; L181-F183 HydrophobicContact CB-CD2 4.31Å; L181-F183 HydrophobicContact CB-CE1 4.34Å; L181-F183 HydrophobicContact CB-CE2 3.98Å; L181-F183 HydrophobicContact CB-CZ 3.99Å; L181-F183 HydrophobicContact CD1-CE2 3.6Å; L181-F183 HydrophobicContact CD1-CZ 3.56Å; L181-F183 HydrophobicContact CG-CE2 4.45Å; L181-F183 HydrophobicContact CG-CZ 4.36Å; L181-F183 PolarHBondContact O-N 3.4Å; F183-L188 HydrophobicContact CD1-CD2 4.42Å; F183-L188 HydrophobicContact CD2-CD1 4.12Å; F183-L188 HydrophobicContact CD2-CD2 4.23Å; F183-L188 HydrophobicContact CD2-CG 4.2Å; F183-L188 HydrophobicContact CE2-CD1 3.83Å; F183-L188 HydrophobicContact CE2-CG 4.42Å; F183-L188 HydrophobicContact CG-CD2 4.14Å; F183-L188 HydrophobicContact CZ-CD1 4.23Å; F183-Y215 AromaticContact CD2-CD1 3.74Å; F183-Y215 HydrophobicContact CD2-CD1 3.74Å; F183-Y215 HydrophobicContact CD2-CE1 4.42Å; F183-Y215 AromaticContact CD2-CG 3.96Å; F183-Y215 HydrophobicContact CD2-CG 3.96Å; F183-Y215 AromaticContact CE2-CD1 3.68Å; F183-Y215 HydrophobicContact CE2-CD1 3.68Å; F183-Y215 AromaticContact CE2-CD2 3.99Å; F183-Y215 HydrophobicContact CE2-CD2 3.99Å; F183-Y215 HydrophobicContact CE2-CE1 4.28Å; F183-Y215 AromaticContact CE2-CG 3.52Å; F183-Y215 HydrophobicContact CE2-CG 3.52Å
184Q96.6Very high97Very high159 Ų15953.8 Ų53.874%0.74327%0.267SS*.  trans-84.4163.4-175.6-65.7-179.8-18.100111.6S187Q184-S187 PolarHBondContact N-OG 2.98Å; Q184-S187 WeakPolarHBondContact O-CB 2.99Å; Q184-S187 PolarHBondContact O-OG 3.45Å
185E97.2Very high97Very high115 Ų11555.4 Ų55.454%0.53727%0.274SS..THydrogen-bonded Turntrans-59.2146.8167.2-61.9-166.6170.800110.6S187 R214 Y215E185-S187 PolarHBondContact O-N 3.07Å; E185-R214 HydrophobicContact CG-CG 3.9Å; E185-R214 VanDerWaalsContact OE1-CD 3.28Å; E185-R214 WeakPolarHBondContact OE1-CD 3.38Å; E185-R214 WeakPolarHBondContact OE1-CG 3.47Å; E185-Y215 HydrophobicContact CG-CD1 4.32Å; E185-Y215 HydrophobicContact CG-CE1 4.22Å
186N97.1Very high97.1Very high73 Ų7354.9 Ų54.939%0.3927%0.27SS..THydrogen-bonded Turntrans53.832.5-179.2-53.1-69.5000115.1R214 Y215 V216 K217 K305N186-R214 PolarHBondContact N-O 2.62Å; N186-R214 VanDerWaalsContact N-O 3.17Å; N186-Y215 CarbonylContact C-O 3.51Å; N186-Y215 WeakPolarHBondContact CA-O 3.32Å; N186-Y215 PolarHBondContact N-O 3.44Å; N186-V216 PolarHBondContact OD1-O 3.14Å; N186-K217 WeakPolarHBondContact O-CB 3.41Å; N186-K305 PolarHBondContact OD1-NZ 3.29Å
187S97Very high97.2Very high35 Ų3552.6 Ų52.625%0.24526%0.258CS..  trans-109.6-11.2-17978.50000114.6C117 Q184 E185 Y215C117-S187 WeakPolarHBondContact CB-O 3.22Å; Q184-S187 PolarHBondContact N-OG 2.98Å; Q184-S187 WeakPolarHBondContact O-CB 2.99Å; Q184-S187 PolarHBondContact O-OG 3.45Å; E185-S187 PolarHBondContact O-N 3.07Å; S187-Y215 PolarHBondContact N-O 3.25Å
188L98.1Very high97.4Very high0 Ų047.7 Ų47.70%024%0.236CC..EExtended strand (participates in β ladder)trans-91.7128.7-177.6-56.9172.7000111.4C117 L119 Y144 F183 Y215 V216 K217C117-L188 HydrophobicContact CB-CD2 4.07Å; L119-L188 HydrophobicContact CB-CD1 3.65Å; L119-L188 HydrophobicContact CB-CD2 4.21Å; L119-L188 HydrophobicContact CD2-CD1 3.82Å; L119-L188 HydrophobicContact CG-CD1 4.39Å; Y144-L188 HydrophobicContact CD2-CD2 3.95Å; Y144-L188 HydrophobicContact CE2-CD2 4.36Å; F183-L188 HydrophobicContact CD1-CD2 4.42Å; F183-L188 HydrophobicContact CD2-CD1 4.12Å; F183-L188 HydrophobicContact CD2-CD2 4.23Å; F183-L188 HydrophobicContact CD2-CG 4.2Å; F183-L188 HydrophobicContact CE2-CD1 3.83Å; F183-L188 HydrophobicContact CE2-CG 4.42Å; F183-L188 HydrophobicContact CG-CD2 4.14Å; F183-L188 HydrophobicContact CZ-CD1 4.23Å; L188-Y215 PolarHBondContact N-O 2.68Å; L188-V216 HydrophobicContact CB-CG2 4.47Å; L188-K217 PolarHBondContact O-N 3.47Å
189D97Very high97.6Very high18 Ų1839.5 Ų39.510%0.09620%0.202CC..EExtended strand (participates in β ladder)trans-73.4-41.1169.9-67-95.9000111.4K116 C117 K217 G220 M221K116-D189 VanDerWaalsContact CA-OD2 3.26Å; K116-D189 WeakPolarHBondContact CA-OD2 3.26Å; C117-D189 PolarHBondContact N-OD2 3.04Å; C117-D189 WeakPolarHBondContact O-CB 3.38Å; C117-D189 PolarHBondContact O-N 2.94Å; D189-K217 WeakPolarHBondContact OD1-CE 3.49Å; D189-K217 IonicContact OD1-NZ 2.62Å; D189-K217 PolarHBondContact OD1-NZ 2.91Å; D189-K217 IonicContact OD2-NZ 3.52Å; D189-G220 CarbonylContact O-C 3.44Å; D189-G220 VanDerWaalsContact O-CA 3.24Å; D189-G220 WeakPolarHBondContact O-CA 3.29Å; D189-M221 PolarHBondContact O-N 3.48Å
190F98.2Very high97.8Very high19 Ų1937.8 Ų37.88%0.08319%0.191CC..EExtended strand (participates in β ladder)trans-135.3143.9-177.5-63.6-87000112E97 L98 F101 C117 L118 L119 M221 L223E97-F190 HydrophobicContact CB-CE1 3.92Å; E97-F190 HydrophobicContact CB-CZ 4.44Å; L98-F190 HydrophobicContact CD2-CD1 4.14Å; L98-F190 HydrophobicContact CD2-CE1 4.5Å; L98-F190 HydrophobicContact CD2-CG 4.15Å; F101-F190 HydrophobicContact CE1-CE2 4.46Å; F101-F190 AromaticContact CE2-CD2 3.82Å; F101-F190 HydrophobicContact CE2-CD2 3.82Å; F101-F190 AromaticContact CE2-CE2 3.82Å; F101-F190 HydrophobicContact CE2-CE2 3.82Å; F101-F190 AromaticContact CZ-CD2 3.46Å; F101-F190 HydrophobicContact CZ-CD2 3.46Å; F101-F190 VanDerWaalsContact CZ-CD2 3.46Å; F101-F190 AromaticContact CZ-CE2 3.45Å; F101-F190 HydrophobicContact CZ-CE2 3.45Å; F101-F190 VanDerWaalsContact CZ-CE2 3.45Å; C117-F190 PolarHBondContact O-N 3.45Å; L118-F190 CarbonylContact C-O 3.58Å; L118-F190 WeakPolarHBondContact CA-O 3.48Å; L118-F190 HydrophobicContact CB-CB 4.31Å; L118-F190 HydrophobicContact CD1-CB 3.93Å; L118-F190 HydrophobicContact CG-CB 3.98Å; L119-F190 PolarHBondContact N-O 2.87Å; F190-M221 CarbonylContact C-O 3.56Å; F190-M221 VanDerWaalsContact CA-O 3.24Å; F190-M221 WeakPolarHBondContact CA-O 3.44Å; F190-M221 HydrophobicContact CD1-CB 3.86Å; F190-M221 HydrophobicContact CE1-CB 3.99Å; F190-M221 HydrophobicContact CE1-CG 4.39Å; F190-M221 HydrophobicContact CE1-SD 4.02Å; F190-L223 HydrophobicContact CD1-CD1 3.96Å; F190-L223 HydrophobicContact CD1-CG 4.3Å
191A98.7Very high97.9Very high0 Ų031.1 Ų31.10%016%0.161CC..EExtended strand (participates in β ladder)trans-123.7130.816200000110.3L119 L193 I212 V216 M221 I222 L223L119-A191 CarbonylContact O-C 3.53Å; L119-A191 VanDerWaalsContact O-CA 3.26Å; L119-A191 WeakPolarHBondContact O-CA 3.27Å; A191-L193 HydrophobicContact CB-CD1 4.43Å; A191-I212 HydrophobicContact CB-CG2 3.47Å; A191-I212 VanDerWaalsContact CB-CG2 3.47Å; A191-V216 HydrophobicContact CB-CG2 4.08Å; A191-M221 PolarHBondContact N-O 3.36Å; A191-I222 HydrophobicContact CB-CG1 4.32Å; A191-I222 HydrophobicContact CB-CG2 4.47Å; A191-I222 CarbonylContact O-C 3.57Å; A191-I222 WeakPolarHBondContact O-CA 3.4Å; A191-L223 PolarHBondContact O-N 3.42Å
192L98.8Very high97.9Very high0 Ų031.6 Ų31.60%017%0.166CC..EExtended strand (participates in β ladder)trans-100.7129.1175.3-55.3-175.5000110L91 L98 L118 L119 E120 V121 T128 L132 L223L91-L192 HydrophobicContact CD1-CD1 4.33Å; L98-L192 HydrophobicContact CD1-CD2 4.2Å; L98-L192 HydrophobicContact CD2-CD2 4.48Å; L118-L192 HydrophobicContact CD1-CD1 4.28Å; L118-L192 HydrophobicContact CD1-CG 4.27Å; L118-L192 HydrophobicContact CD2-CD1 4.04Å; L118-L192 HydrophobicContact CD2-CG 4.12Å; L118-L192 HydrophobicContact CG-CG 4.39Å; L119-L192 PolarHBondContact O-N 2.87Å; E120-L192 HydrophobicContact CB-CB 4.39Å; E120-L192 HydrophobicContact CG-CB 4.31Å; V121-L192 PolarHBondContact N-O 3Å; T128-L192 HydrophobicContact CG2-CD1 4.19Å; L132-L192 HydrophobicContact CD2-CD1 4.34Å; L192-L223 HydrophobicContact CD2-CB 3.63Å; L192-L223 HydrophobicContact CD2-CD1 3.43Å; L192-L223 VanDerWaalsContact CD2-CD1 3.43Å; L192-L223 HydrophobicContact CD2-CG 3.93Å
193L98.8Very high98Very high1 Ų133.4 Ų33.41%0.00519%0.185CC..EExtended strand (participates in β ladder)trans-124.292.5169.3-66.174.1000108.3A191 V196 L197 I212 I222 L223 F224 R225A191-L193 HydrophobicContact CB-CD1 4.43Å; L193-V196 HydrophobicContact CB-CG2 4.41Å; L193-L197 HydrophobicContact CD2-CD1 4.11Å; L193-L197 HydrophobicContact CD2-CD2 3.86Å; L193-L197 HydrophobicContact CD2-CG 3.84Å; L193-I212 HydrophobicContact CD1-CD1 3.68Å; L193-I212 HydrophobicContact CD2-CD1 3.55Å; L193-I212 HydrophobicContact CG-CD1 3.86Å; L193-I222 HydrophobicContact CD1-CG2 3.29Å; L193-L223 PolarHBondContact N-O 2.9Å; L193-F224 HydrophobicContact CB-CD2 4.2Å; L193-F224 WeakPolarHBondContact O-CA 3.3Å; L193-R225 PolarHBondContact O-N 3.43Å
194I98.6Very high98Very high8 Ų836.2 Ų36.24%0.04120%0.197CC..EExtended strand (participates in β ladder)trans-112.3105.7-178.3-59.6-179.4000109W90 L91 F95 T128 V196 R225W90-I194 HydrophobicContact CH2-CD1 4.09Å; W90-I194 HydrophobicContact CH2-CG2 3.84Å; W90-I194 HydrophobicContact CZ2-CG2 4.31Å; W90-I194 HydrophobicContact CZ3-CD1 4.46Å; L91-I194 HydrophobicContact CD1-CD1 3.55Å; F95-I194 HydrophobicContact CE2-CD1 4.2Å; T128-I194 HydrophobicContact CG2-CD1 3.86Å; I194-V196 VanDerWaalsContact C-N 3.35Å; I194-R225 CarbonylContact C-O 3.58Å; I194-R225 WeakPolarHBondContact CA-O 3.44Å
195F98.2Very high98.2Very high39 Ų3929.3 Ų29.317%0.17117%0.165CC..SBendtrans60.537.5-176.9-52.9-64.5000114.5W90 R225 Y227 W298W90-F195 HydrophobicContact CZ2-CE2 4.39Å; F195-R225 HydrophobicContact CZ-CG 4.47Å; F195-R225 PolarHBondContact N-O 2.9Å; F195-Y227 HydrophobicContact CB-CE2 4.36Å; F195-Y227 HydrophobicContact CD1-CD1 4.33Å; F195-Y227 HydrophobicContact CD1-CD2 4.01Å; F195-Y227 HydrophobicContact CD1-CE1 4.01Å; F195-Y227 AromaticContact CD1-CE2 3.68Å; F195-Y227 HydrophobicContact CD1-CE2 3.68Å; F195-Y227 HydrophobicContact CD1-CG 4.33Å; F195-Y227 AromaticContact CD1-CZ 3.67Å; F195-Y227 HydrophobicContact CE1-CD1 4.17Å; F195-Y227 AromaticContact CE1-CE1 3.97Å; F195-Y227 HydrophobicContact CE1-CE1 3.97Å; F195-Y227 HydrophobicContact CE1-CE2 4.43Å; F195-Y227 HydrophobicContact CE1-CG 4.48Å; F195-Y227 HydrophobicContact CG-CE2 4.34Å; F195-W298 AromaticContact CE1-CD1 3.52Å; F195-W298 AromaticContact CE1-NE1 3.66Å; F195-W298 AromaticContact CZ-CD1 3.85Å; F195-W298 AromaticContact CZ-NE1 3.73Å
196V98.7Very high98.2Very high8 Ų825 Ų255%0.04815%0.152CC..  trans-101.4-57.2-176-175.20000111.4V121 L193 I194 S198 S199 D226V121-V196 HydrophobicContact CG1-CG1 3.97Å; V121-V196 WeakPolarHBondContact O-CG2 3.32Å; L193-V196 HydrophobicContact CB-CG2 4.41Å; I194-V196 VanDerWaalsContact C-N 3.35Å; V196-S198 PolarHBondContact O-N 2.78Å; V196-S199 WeakPolarHBondContact O-CB 3.32Å; V196-S199 PolarHBondContact O-N 2.99Å; V196-S199 PolarHBondContact O-OG 2.72Å; V196-D226 PolarHBondContact N-OD2 3.04Å
197L98.9Very high98.3Very high0 Ų024.7 Ų24.70%015%0.148CC..G310 helixtrans-62.3-34-172.5-64.2-170.8000110.6L193 S199 L200 F205 A208 V209 F224 D226 F259 L267 F268L193-L197 HydrophobicContact CD2-CD1 4.11Å; L193-L197 HydrophobicContact CD2-CD2 3.86Å; L193-L197 HydrophobicContact CD2-CG 3.84Å; L197-S199 PolarHBondContact O-N 2.88Å; L197-S199 VanDerWaalsContact O-N 3.09Å; L197-L200 HydrophobicContact CD2-CD1 3.9Å; L197-L200 WeakPolarHBondContact O-CB 3.49Å; L197-L200 PolarHBondContact O-N 2.64Å; L197-F205 HydrophobicContact CB-CE1 4.48Å; L197-F205 WeakPolarHBondContact O-CE1 3.12Å; L197-A208 HydrophobicContact CD2-CB 4.18Å; L197-V209 HydrophobicContact CD1-CG2 4.09Å; L197-F224 HydrophobicContact CB-CE2 4.23Å; L197-F224 HydrophobicContact CD1-CD2 4.18Å; L197-F224 HydrophobicContact CD1-CE2 3.73Å; L197-F224 HydrophobicContact CG-CE2 4.07Å; L197-D226 PolarHBondContact N-OD2 3.17Å; L197-F259 HydrophobicContact CB-CE2 4.34Å; L197-F259 HydrophobicContact CB-CZ 3.73Å; L197-L267 HydrophobicContact CD1-CD2 3.98Å; L197-F268 HydrophobicContact CD1-CE2 4.19Å; L197-F268 HydrophobicContact CD1-CZ 4.3Å
198S98.7Very high98.4Very high2 Ų223 Ų231%0.01414%0.136CC..G310 helixtrans-59.4-22.8175.759.10000114.4V196 L200 D226 Y227 V256 Y257V196-S198 PolarHBondContact O-N 2.78Å; S198-L200 VanDerWaalsContact C-N 3.34Å; S198-D226 WeakPolarHBondContact CB-OD1 3.04Å; S198-D226 WeakPolarHBondContact CB-OD2 3.24Å; S198-D226 PolarHBondContact N-OD2 2.77Å; S198-D226 VanDerWaalsContact OG-CG 3.29Å; S198-D226 PolarHBondContact OG-OD1 3.3Å; S198-D226 PolarHBondContact OG-OD2 2.7Å; S198-Y227 WeakPolarHBondContact OG-CD2 3.25Å; S198-V256 CarbonylContact O-C 3.58Å; S198-V256 VanDerWaalsContact O-C 3.32Å; S198-V256 WeakPolarHBondContact O-CA 3.43Å; S198-Y257 VanDerWaalsContact CB-O 3.25Å; S198-Y257 WeakPolarHBondContact CB-O 3.43Å; S198-Y257 PolarHBondContact O-N 2.88Å
199S98.2Very high98.4Very high16 Ų1623 Ų2311%0.11214%0.136CC..G310 helixtrans-80.2-16.9177.675.90000113.8V196 L197 R255V196-S199 WeakPolarHBondContact O-CB 3.32Å; V196-S199 PolarHBondContact O-N 2.99Å; V196-S199 PolarHBondContact O-OG 2.72Å; L197-S199 PolarHBondContact O-N 2.88Å; L197-S199 VanDerWaalsContact O-N 3.09Å; S199-R255 PolarHBondContact O-NE 3.38Å; S199-R255 PolarHBondContact O-NH2 3.2Å
200L98.4Very high98.5Very high19 Ų1924.2 Ų24.210%0.09915%0.148CC..SBendtrans-88.5159.1-175.6-52.8179.6000111.2I174 L197 S198 F205 A208 F247I174-L200 HydrophobicContact CG2-CD1 3.85Å; I174-L200 HydrophobicContact CG2-CD2 4.37Å; L197-L200 HydrophobicContact CD2-CD1 3.9Å; L197-L200 WeakPolarHBondContact O-CB 3.49Å; L197-L200 PolarHBondContact O-N 2.64Å; S198-L200 VanDerWaalsContact C-N 3.34Å; L200-F205 HydrophobicContact CB-CD1 4.08Å; L200-F205 HydrophobicContact CB-CE1 3.88Å; L200-F205 WeakPolarHBondContact O-CE1 3.24Å; L200-A208 HydrophobicContact CD1-CB 3.8Å; L200-F247 VanDerWaalsContact O-CE2 3.28Å; L200-F247 WeakPolarHBondContact O-CE2 3.45Å; L200-F247 VanDerWaalsContact O-CZ 3.28Å; L200-F247 WeakPolarHBondContact O-CZ 3.29Å
201N97.8Very high98.5Very high50 Ų5023.5 Ų23.527%0.26715%0.145SC..  trans-65131.3165.4-174.7-39.8000109.3E66 A203 K204E66-N201 WeakPolarHBondContact OE2-CB 3.44Å; N201-A203 PolarHBondContact O-N 2.66Å; N201-A203 WeakPolarHBondContact OD1-CB 3.34Å; N201-A203 PolarHBondContact OD1-N 2.7Å; N201-K204 HydrophobicContact CB-CD 4.46Å; N201-K204 HydrophobicContact CB-CG 4.49Å; N201-K204 WeakPolarHBondContact O-CB 3.24Å; N201-K204 PolarHBondContact O-N 2.85Å
202P98.3Very high98.5Very high36 Ų3623.5 Ų23.523%0.23415%0.145CC..G310 helixtrans-51.9-31.7178.8-29.937000115.1K204 F205 F247 Y257P202-K204 PolarHBondContact O-N 3.12Å; P202-F205 HydrophobicContact CB-CD2 4.3Å; P202-F205 HydrophobicContact CB-CE1 4.5Å; P202-F205 HydrophobicContact CB-CE2 3.87Å; P202-F205 HydrophobicContact CB-CZ 3.99Å; P202-F205 HydrophobicContact CG-CE2 4.2Å; P202-F205 HydrophobicContact CG-CZ 3.93Å; P202-F205 WeakPolarHBondContact O-CG 3.29Å; P202-F205 PolarHBondContact O-N 3.43Å; P202-F247 HydrophobicContact CG-CB 4.47Å; P202-F247 HydrophobicContact CG-CD1 4.46Å; P202-F247 HydrophobicContact CG-CG 4.31Å; P202-Y257 HydrophobicContact CB-CE2 4.33Å; P202-Y257 HydrophobicContact CG-CD2 3.49Å; P202-Y257 VanDerWaalsContact CG-CD2 3.49Å; P202-Y257 HydrophobicContact CG-CE2 3.64Å; P202-Y257 HydrophobicContact CG-CG 4.31Å
203A97.5Very high98.5Very high89 Ų8924.5 Ų24.574%0.73615%0.151SC*.G310 helixtrans-62.3-22.717600000113.5N201N201-A203 PolarHBondContact O-N 2.66Å; N201-A203 WeakPolarHBondContact OD1-CB 3.34Å; N201-A203 PolarHBondContact OD1-N 2.7Å
204K98.3Very high98.4Very high74 Ų7427.6 Ų27.632%0.32216%0.163SC..G310 helixtrans-94.4-7.7-178.4-67.4-179.4164.8-178.50113.9E66 C175 N201 P202 G206 Q207 A208E66-K204 WeakPolarHBondContact OE1-CE 3.4Å; E66-K204 IonicContact OE1-NZ 3.01Å; E66-K204 PolarHBondContact OE1-NZ 3.38Å; C175-K204 HydrophobicContact CB-CD 4.29Å; N201-K204 HydrophobicContact CB-CD 4.46Å; N201-K204 HydrophobicContact CB-CG 4.49Å; N201-K204 WeakPolarHBondContact O-CB 3.24Å; N201-K204 PolarHBondContact O-N 2.85Å; P202-K204 PolarHBondContact O-N 3.12Å; K204-G206 VanDerWaalsContact C-N 3.31Å; K204-G206 PolarHBondContact O-N 2.93Å; K204-Q207 PolarHBondContact O-N 3.46Å; K204-A208 PolarHBondContact O-N 3.38Å
205F98.8Very high98.4Very high13 Ų1328 Ų286%0.05716%0.164CC..Hα-helixtrans-57.4-43.6-176.4-67-7.5000112.5L197 L200 P202 Q207 A208 V209 Y257 F259 L267L197-F205 HydrophobicContact CB-CE1 4.48Å; L197-F205 WeakPolarHBondContact O-CE1 3.12Å; L200-F205 HydrophobicContact CB-CD1 4.08Å; L200-F205 HydrophobicContact CB-CE1 3.88Å; L200-F205 WeakPolarHBondContact O-CE1 3.24Å; P202-F205 HydrophobicContact CB-CD2 4.3Å; P202-F205 HydrophobicContact CB-CE1 4.5Å; P202-F205 HydrophobicContact CB-CE2 3.87Å; P202-F205 HydrophobicContact CB-CZ 3.99Å; P202-F205 HydrophobicContact CG-CE2 4.2Å; P202-F205 HydrophobicContact CG-CZ 3.93Å; P202-F205 WeakPolarHBondContact O-CG 3.29Å; P202-F205 PolarHBondContact O-N 3.43Å; F205-Q207 PolarHBondContact O-N 3.08Å; F205-A208 PolarHBondContact O-N 2.82Å; F205-V209 WeakPolarHBondContact O-CG2 3.4Å; F205-V209 PolarHBondContact O-N 2.97Å; F205-Y257 AromaticContact CE2-CD1 3.96Å; F205-Y257 HydrophobicContact CE2-CD1 3.96Å; F205-Y257 HydrophobicContact CE2-CE1 4.15Å; F205-Y257 HydrophobicContact CE2-CG 4.22Å; F205-Y257 HydrophobicContact CZ-CD1 4.06Å; F205-Y257 HydrophobicContact CZ-CD2 4.44Å; F205-Y257 AromaticContact CZ-CG 3.94Å; F205-Y257 HydrophobicContact CZ-CG 3.94Å; F205-F259 AromaticContact CD2-CE1 3.96Å; F205-F259 HydrophobicContact CD2-CE1 3.96Å; F205-F259 HydrophobicContact CD2-CZ 4.39Å; F205-F259 HydrophobicContact CE1-CZ 4.5Å; F205-F259 HydrophobicContact CE2-CD1 4.5Å; F205-F259 AromaticContact CE2-CE1 3.4Å; F205-F259 HydrophobicContact CE2-CE1 3.4Å; F205-F259 AromaticContact CE2-CZ 3.66Å; F205-F259 HydrophobicContact CE2-CZ 3.66Å; F205-F259 AromaticContact CZ-CE1 3.97Å; F205-F259 HydrophobicContact CZ-CE1 3.97Å; F205-F259 AromaticContact CZ-CZ 3.71Å; F205-F259 HydrophobicContact CZ-CZ 3.71Å; F205-L267 HydrophobicContact CB-CD1 3.92Å; F205-L267 HydrophobicContact CB-CD2 3.82Å; F205-L267 HydrophobicContact CD2-CD2 4.39Å; F205-L267 HydrophobicContact CG-CD2 4.43Å
206G98.6Very high98.5Very high26 Ų2626.1 Ų26.127%0.26816%0.156SC..Hα-helixtrans-60.3-44.2178.900000112.7K204 A210K204-G206 VanDerWaalsContact C-N 3.31Å; K204-G206 PolarHBondContact O-N 2.93Å; G206-A210 VanDerWaalsContact O-CB 3.28Å; G206-A210 WeakPolarHBondContact O-CB 3.47Å; G206-A210 PolarHBondContact O-N 3.22Å
207Q98.5Very high98.4Very high66 Ų6627.7 Ų27.731%0.30816%0.162SC..Hα-helixtrans-65.6-46177.5-17363.25200111.3E177 K204 F205 V209 A210 N211E177-Q207 HydrophobicContact CG-CG 4.44Å; E177-Q207 VanDerWaalsContact CG-NE2 3.25Å; E177-Q207 PolarHBondContact OE2-NE2 3.31Å; E177-Q207 VanDerWaalsContact OE2-NE2 3.11Å; K204-Q207 PolarHBondContact O-N 3.46Å; F205-Q207 PolarHBondContact O-N 3.08Å; Q207-V209 VanDerWaalsContact C-N 3.34Å; Q207-V209 PolarHBondContact O-N 3.04Å; Q207-A210 PolarHBondContact O-N 3.09Å; Q207-N211 PolarHBondContact NE2-OD1 3.28Å; Q207-N211 WeakPolarHBondContact O-CB 3.43Å; Q207-N211 VanDerWaalsContact O-CG 3.32Å; Q207-N211 PolarHBondContact O-N 2.78Å
208A98.8Very high98.3Very high0 Ų031.5 Ų31.50%019%0.187CC..Hα-helixtrans-58.6-45.6-179.900000111.7I174 L197 L200 K204 F205 N211 I212I174-A208 HydrophobicContact CD1-CB 3.99Å; I174-A208 HydrophobicContact CG1-CB 3.91Å; I174-A208 HydrophobicContact CG2-CB 4.08Å; L197-A208 HydrophobicContact CD2-CB 4.18Å; L200-A208 HydrophobicContact CD1-CB 3.8Å; K204-A208 PolarHBondContact O-N 3.38Å; F205-A208 PolarHBondContact O-N 2.82Å; A208-N211 PolarHBondContact O-N 3Å; A208-I212 WeakPolarHBondContact O-CG1 3.38Å; A208-I212 PolarHBondContact O-N 2.87Å
209V98.8Very high98.2Very high0 Ų032.8 Ų32.80%020%0.2CC..Hα-helixtrans-67.4-43.6176.6178.10000111.1L197 F205 Q207 N211 I212 V213 L267 F268 C271 L273L197-V209 HydrophobicContact CD1-CG2 4.09Å; F205-V209 WeakPolarHBondContact O-CG2 3.4Å; F205-V209 PolarHBondContact O-N 2.97Å; Q207-V209 VanDerWaalsContact C-N 3.34Å; Q207-V209 PolarHBondContact O-N 3.04Å; V209-N211 VanDerWaalsContact C-N 3.28Å; V209-N211 PolarHBondContact O-N 2.63Å; V209-I212 PolarHBondContact O-N 2.92Å; V209-I212 VanDerWaalsContact O-N 3.16Å; V209-V213 HydrophobicContact CG1-CG2 4.23Å; V209-V213 VanDerWaalsContact O-CG2 3.3Å; V209-V213 WeakPolarHBondContact O-CG2 3.42Å; V209-V213 PolarHBondContact O-N 2.65Å; V209-L267 HydrophobicContact CG2-CD1 4.39Å; V209-L267 HydrophobicContact CG2-CD2 4.01Å; V209-L267 HydrophobicContact CG2-CG 4.14Å; V209-F268 HydrophobicContact CG1-CD1 4.22Å; V209-F268 HydrophobicContact CG1-CE1 4.32Å; V209-F268 HydrophobicContact CG2-CE2 4.4Å; V209-F268 HydrophobicContact CG2-CZ 4.25Å; V209-C271 HydrophobicContact CG1-CB 3.69Å; V209-L273 HydrophobicContact CG1-CD1 4.2Å
210A98.6Very high98.2Very high42 Ų4232.1 Ų32.135%0.34720%0.196SC..Hα-helixtrans-58.1-40.817700000112.3G206 Q207 I212 V213 R214G206-A210 VanDerWaalsContact O-CB 3.28Å; G206-A210 WeakPolarHBondContact O-CB 3.47Å; G206-A210 PolarHBondContact O-N 3.22Å; Q207-A210 PolarHBondContact O-N 3.09Å; A210-I212 PolarHBondContact O-N 2.79Å; A210-V213 PolarHBondContact O-N 3.4Å; A210-R214 PolarHBondContact O-N 2.93Å; A210-R214 VanDerWaalsContact O-N 3.09Å
211N98.6Very high98.2Very high4 Ų433.2 Ų33.22%0.02120%0.201CC..Hα-helixtrans-60.9-43176.4-75.5-5.1000111.9W172 I174 D176 E177 Q207 A208 V209 R214 Y215W172-N211 HydrophobicContact CH2-CB 4.22Å; W172-N211 HydrophobicContact CZ2-CB 4.08Å; I174-N211 PolarHBondContact O-ND2 3.06Å; D176-N211 PolarHBondContact O-ND2 2.79Å; E177-N211 WeakPolarHBondContact CG-OD1 3.33Å; Q207-N211 PolarHBondContact NE2-OD1 3.28Å; Q207-N211 WeakPolarHBondContact O-CB 3.43Å; Q207-N211 VanDerWaalsContact O-CG 3.32Å; Q207-N211 PolarHBondContact O-N 2.78Å; A208-N211 PolarHBondContact O-N 3Å; V209-N211 VanDerWaalsContact C-N 3.28Å; V209-N211 PolarHBondContact O-N 2.63Å; N211-R214 WeakPolarHBondContact O-CB 3.48Å; N211-R214 PolarHBondContact O-N 3.41Å; N211-Y215 WeakPolarHBondContact O-CD2 3.35Å; N211-Y215 WeakPolarHBondContact O-CE2 3.4Å
212I98.6Very high98.3Very high0 Ų030.8 Ų30.80%019%0.188CC..Hα-helixtrans-65.5-44.9175.3-62.4156.6000111V121 I174 A191 L193 A208 V209 A210 R214 Y215 V216 I222V121-I212 HydrophobicContact CG2-CG1 4.41Å; I174-I212 HydrophobicContact CD1-CD1 3.25Å; I174-I212 HydrophobicContact CD1-CG1 3.58Å; I174-I212 HydrophobicContact CG1-CD1 4.36Å; I174-I212 HydrophobicContact CG1-CG1 4.24Å; A191-I212 HydrophobicContact CB-CG2 3.47Å; A191-I212 VanDerWaalsContact CB-CG2 3.47Å; L193-I212 HydrophobicContact CD1-CD1 3.68Å; L193-I212 HydrophobicContact CD2-CD1 3.55Å; L193-I212 HydrophobicContact CG-CD1 3.86Å; A208-I212 WeakPolarHBondContact O-CG1 3.38Å; A208-I212 PolarHBondContact O-N 2.87Å; V209-I212 PolarHBondContact O-N 2.92Å; V209-I212 VanDerWaalsContact O-N 3.16Å; A210-I212 PolarHBondContact O-N 2.79Å; I212-R214 PolarHBondContact O-N 3.05Å; I212-Y215 PolarHBondContact O-N 2.97Å; I212-V216 HydrophobicContact CG2-CG2 3.85Å; I212-V216 PolarHBondContact O-N 3.48Å; I212-V216 VanDerWaalsContact O-N 3.1Å; I212-I222 HydrophobicContact CB-CD1 4.29Å; I212-I222 HydrophobicContact CG2-CD1 3.62Å; I212-I222 HydrophobicContact CG2-CG1 4.13Å
213V98.7Very high98.3Very high21 Ų2129.1 Ų29.113%0.12718%0.177CC..Hα-helixtrans-57.2-33.4-178.6172.40000111.6V209 A210 Y215 I222 C271 L273 K305V209-V213 HydrophobicContact CG1-CG2 4.23Å; V209-V213 VanDerWaalsContact O-CG2 3.3Å; V209-V213 WeakPolarHBondContact O-CG2 3.42Å; V209-V213 PolarHBondContact O-N 2.65Å; A210-V213 PolarHBondContact O-N 3.4Å; V213-Y215 VanDerWaalsContact C-N 3.25Å; V213-Y215 PolarHBondContact O-N 2.6Å; V213-I222 HydrophobicContact CG2-CD1 3.98Å; V213-C271 HydrophobicContact CG2-CB 4.32Å; V213-L273 HydrophobicContact CG2-CD1 3.71Å; V213-L273 HydrophobicContact CG2-CD2 3.94Å; V213-L273 HydrophobicContact CG2-CG 3.91Å; V213-K305 HydrophobicContact CG1-CD 4.23Å; V213-K305 PolarHBondContact O-NZ 3.1Å
214R97.9Very high98.3Very high67 Ų6724.9 Ų24.925%0.25314%0.142SC..Hα-helixtrans-55.9-37.5174.2-175168.967.9-1783.6112.9E177 E185 N186 A210 N211 I212E177-R214 PolarHBondContact O-NH2 2.89Å; E185-R214 HydrophobicContact CG-CG 3.9Å; E185-R214 VanDerWaalsContact OE1-CD 3.28Å; E185-R214 WeakPolarHBondContact OE1-CD 3.38Å; E185-R214 WeakPolarHBondContact OE1-CG 3.47Å; N186-R214 PolarHBondContact N-O 2.62Å; N186-R214 VanDerWaalsContact N-O 3.17Å; A210-R214 PolarHBondContact O-N 2.93Å; A210-R214 VanDerWaalsContact O-N 3.09Å; N211-R214 WeakPolarHBondContact O-CB 3.48Å; N211-R214 PolarHBondContact O-N 3.41Å; I212-R214 PolarHBondContact O-N 3.05Å
215Y98.4Very high98.4Very high16 Ų1621.7 Ų21.76%0.06313%0.128CC..Hα-helixtrans-97.7-20-174.4-59.2-73.8000114.4L181 F183 E185 N186 S187 L188 N211 I212 V213L181-Y215 HydrophobicContact CB-CE1 4.41Å; L181-Y215 HydrophobicContact CD1-CD2 3.87Å; L181-Y215 HydrophobicContact CD1-CE1 4.05Å; L181-Y215 HydrophobicContact CD1-CE2 3.31Å; L181-Y215 HydrophobicContact CD1-CG 4.46Å; L181-Y215 HydrophobicContact CG-CE1 4.48Å; L181-Y215 HydrophobicContact CG-CE2 4.32Å; F183-Y215 AromaticContact CD2-CD1 3.74Å; F183-Y215 HydrophobicContact CD2-CD1 3.74Å; F183-Y215 HydrophobicContact CD2-CE1 4.42Å; F183-Y215 AromaticContact CD2-CG 3.96Å; F183-Y215 HydrophobicContact CD2-CG 3.96Å; F183-Y215 AromaticContact CE2-CD1 3.68Å; F183-Y215 HydrophobicContact CE2-CD1 3.68Å; F183-Y215 AromaticContact CE2-CD2 3.99Å; F183-Y215 HydrophobicContact CE2-CD2 3.99Å; F183-Y215 HydrophobicContact CE2-CE1 4.28Å; F183-Y215 AromaticContact CE2-CG 3.52Å; F183-Y215 HydrophobicContact CE2-CG 3.52Å; E185-Y215 HydrophobicContact CG-CD1 4.32Å; E185-Y215 HydrophobicContact CG-CE1 4.22Å; N186-Y215 CarbonylContact C-O 3.51Å; N186-Y215 WeakPolarHBondContact CA-O 3.32Å; N186-Y215 PolarHBondContact N-O 3.44Å; S187-Y215 PolarHBondContact N-O 3.25Å; L188-Y215 PolarHBondContact N-O 2.68Å; N211-Y215 WeakPolarHBondContact O-CD2 3.35Å; N211-Y215 WeakPolarHBondContact O-CE2 3.4Å; I212-Y215 PolarHBondContact O-N 2.97Å; V213-Y215 VanDerWaalsContact C-N 3.25Å; V213-Y215 PolarHBondContact O-N 2.6Å
216V98.5Very high98.4Very high0 Ų021.1 Ų21.10%013%0.126CC..EExtended strand (participates in β ladder)trans-71.3133.8173.6176.10000110.2N186 L188 A191 I212 I222 K305N186-V216 PolarHBondContact OD1-O 3.14Å; L188-V216 HydrophobicContact CB-CG2 4.47Å; A191-V216 HydrophobicContact CB-CG2 4.08Å; I212-V216 HydrophobicContact CG2-CG2 3.85Å; I212-V216 PolarHBondContact O-N 3.48Å; I212-V216 VanDerWaalsContact O-N 3.1Å; V216-I222 HydrophobicContact CG2-CD1 4.39Å; V216-I222 HydrophobicContact CG2-CG1 4.07Å; V216-K305 HydrophobicContact CB-CD 4.36Å; V216-K305 HydrophobicContact CG1-CB 4.15Å; V216-K305 HydrophobicContact CG1-CD 4.35Å; V216-K305 WeakPolarHBondContact O-CD 3.4Å; V216-K305 WeakPolarHBondContact O-CE 3.45Å; V216-K305 PolarHBondContact O-NZ 2.98Å
217K97.5Very high98.4Very high40 Ų4021.3 Ų21.317%0.17412%0.119CC..EExtended strand (participates in β ladder)trans-71.3156178.376-175.9-175.3-172.70112.1E114 N186 L188 D189 G219 G220E114-K217 IonicContact OE1-NZ 2.78Å; E114-K217 PolarHBondContact OE1-NZ 2.87Å; N186-K217 WeakPolarHBondContact O-CB 3.41Å; L188-K217 PolarHBondContact O-N 3.47Å; D189-K217 WeakPolarHBondContact OD1-CE 3.49Å; D189-K217 IonicContact OD1-NZ 2.62Å; D189-K217 PolarHBondContact OD1-NZ 2.91Å; D189-K217 IonicContact OD2-NZ 3.52Å; K217-G219 PolarHBondContact O-N 2.76Å; K217-G220 WeakPolarHBondContact O-CA 3.47Å; K217-G220 PolarHBondContact O-N 3.01Å
218P97.6Very high98.4Very high81 Ų8118.1 Ų18.153%0.52610%0.104SC..EExtended strand (participates in β ladder)trans-51128.8166.4-26.835.7000110.7G220P218-G220 VanDerWaalsContact C-N 3.26Å; P218-G220 PolarHBondContact O-N 2.8Å
219G96.8Very high98.3Very high28 Ų2820.9 Ų20.929%0.28911%0.114SC..EExtended strand (participates in β ladder)trans80.1-8.1-172.700000116.5K217 K304 K305K217-G219 PolarHBondContact O-N 2.76Å; G219-K304 VanDerWaalsContact CA-CE 3.4Å; G219-K304 VanDerWaalsContact O-CE 3.28Å; G219-K304 WeakPolarHBondContact O-CE 3.49Å; G219-K305 VanDerWaalsContact CA-O 3.27Å; G219-K305 WeakPolarHBondContact CA-O 3.26Å; G219-K305 PolarHBondContact N-O 3.24Å
220G97.5Very high98.2Very high3 Ų324 Ų243%0.03113%0.127CC..EExtended strand (participates in β ladder)trans-69.3163.417200000112.5D189 K217 P218 K304 K305D189-G220 CarbonylContact O-C 3.44Å; D189-G220 VanDerWaalsContact O-CA 3.24Å; D189-G220 WeakPolarHBondContact O-CA 3.29Å; K217-G220 WeakPolarHBondContact O-CA 3.47Å; K217-G220 PolarHBondContact O-N 3.01Å; P218-G220 VanDerWaalsContact C-N 3.26Å; P218-G220 PolarHBondContact O-N 2.8Å; G220-K304 WeakPolarHBondContact O-CA 3.15Å; G220-K305 PolarHBondContact O-N 3.38Å
221M98.5Very high98.2Very high41 Ų4122 Ų2220%0.20211%0.11CC..EExtended strand (participates in β ladder)trans-123.5144.3-170-65.7-179.2-177.500113.4E97 D189 F190 A191 L223 T302 Y303 K304E97-M221 HydrophobicContact CB-SD 4.29Å; E97-M221 HydrophobicContact CG-SD 3.96Å; D189-M221 PolarHBondContact O-N 3.48Å; F190-M221 CarbonylContact C-O 3.56Å; F190-M221 VanDerWaalsContact CA-O 3.24Å; F190-M221 WeakPolarHBondContact CA-O 3.44Å; F190-M221 HydrophobicContact CD1-CB 3.86Å; F190-M221 HydrophobicContact CE1-CB 3.99Å; F190-M221 HydrophobicContact CE1-CG 4.39Å; F190-M221 HydrophobicContact CE1-SD 4.02Å; A191-M221 PolarHBondContact N-O 3.36Å; M221-L223 HydrophobicContact CB-CD2 4.34Å; M221-T302 HydrophobicContact CB-CG2 4.31Å; M221-T302 HydrophobicContact CG-CG2 4.35Å; M221-T302 HydrophobicContact SD-CG2 3.98Å; M221-Y303 CarbonylContact C-O 3.49Å; M221-Y303 VanDerWaalsContact CA-O 3.25Å; M221-Y303 WeakPolarHBondContact CA-O 3.4Å; M221-K304 HydrophobicContact CE-CD 4.33Å; M221-K304 HydrophobicContact CG-CB 4.41Å; M221-K304 HydrophobicContact CG-CG 4.39Å
222I98.8Very high98.1Very high0 Ų023.2 Ų23.20%012%0.116CC..EExtended strand (participates in β ladder)trans-110121.6169.4-54.5-176.6000108.2A191 L193 I212 V213 V216 F268 L273 T302 Y303A191-I222 HydrophobicContact CB-CG1 4.32Å; A191-I222 HydrophobicContact CB-CG2 4.47Å; A191-I222 CarbonylContact O-C 3.57Å; A191-I222 WeakPolarHBondContact O-CA 3.4Å; L193-I222 HydrophobicContact CD1-CG2 3.29Å; I212-I222 HydrophobicContact CB-CD1 4.29Å; I212-I222 HydrophobicContact CG2-CD1 3.62Å; I212-I222 HydrophobicContact CG2-CG1 4.13Å; V213-I222 HydrophobicContact CG2-CD1 3.98Å; V216-I222 HydrophobicContact CG2-CD1 4.39Å; V216-I222 HydrophobicContact CG2-CG1 4.07Å; I222-F268 HydrophobicContact CB-CE1 4.34Å; I222-F268 HydrophobicContact CG2-CE1 3.81Å; I222-L273 HydrophobicContact CD1-CD1 3.68Å; I222-L273 HydrophobicContact CD1-CD2 4.41Å; I222-T302 WeakPolarHBondContact O-CA 3.32Å; I222-Y303 PolarHBondContact N-O 3.24Å; I222-Y303 PolarHBondContact O-N 3.47Å
223L98.7Very high98Very high0 Ų025 Ų250%013%0.13CC..EExtended strand (participates in β ladder)trans-106.3113.1-177.5-51.3-179.5000108.6F95 L98 F190 A191 L192 L193 M221 T302F95-L223 HydrophobicContact CB-CD1 3.97Å; F95-L223 HydrophobicContact CD1-CB 3.81Å; F95-L223 HydrophobicContact CD1-CD1 4.24Å; F95-L223 HydrophobicContact CD1-CD2 4.1Å; F95-L223 HydrophobicContact CD1-CG 4.26Å; F95-L223 HydrophobicContact CE1-CB 3.78Å; F95-L223 HydrophobicContact CG-CB 4.24Å; F95-L223 HydrophobicContact CG-CD1 4.12Å; F95-L223 HydrophobicContact CZ-CB 4.18Å; L98-L223 HydrophobicContact CD1-CD1 4.05Å; L98-L223 HydrophobicContact CD2-CD1 3.64Å; L98-L223 HydrophobicContact CG-CD1 3.73Å; F190-L223 HydrophobicContact CD1-CD1 3.96Å; F190-L223 HydrophobicContact CD1-CG 4.3Å; A191-L223 PolarHBondContact O-N 3.42Å; L192-L223 HydrophobicContact CD2-CB 3.63Å; L192-L223 HydrophobicContact CD2-CD1 3.43Å; L192-L223 VanDerWaalsContact CD2-CD1 3.43Å; L192-L223 HydrophobicContact CD2-CG 3.93Å; L193-L223 PolarHBondContact N-O 2.9Å; M221-L223 HydrophobicContact CB-CD2 4.34Å; L223-T302 HydrophobicContact CD2-CG2 3.59Å; L223-T302 WeakPolarHBondContact CD2-OG1 3.12Å
224F98.8Very high97.9Very high0 Ų024 Ų240%012%0.124CC..EExtended strand (participates in β ladder)trans-113.6133.1-171.2171.8-95.1000110.7L193 L197 D226 F259 V264 F268 I299 Q300 A301L193-F224 HydrophobicContact CB-CD2 4.2Å; L193-F224 WeakPolarHBondContact O-CA 3.3Å; L197-F224 HydrophobicContact CB-CE2 4.23Å; L197-F224 HydrophobicContact CD1-CD2 4.18Å; L197-F224 HydrophobicContact CD1-CE2 3.73Å; L197-F224 HydrophobicContact CG-CE2 4.07Å; F224-D226 HydrophobicContact CE1-CB 4.04Å; F224-D226 HydrophobicContact CE2-CB 3.76Å; F224-D226 HydrophobicContact CZ-CB 3.36Å; F224-F259 HydrophobicContact CZ-CD2 4.33Å; F224-F259 HydrophobicContact CZ-CE2 4.33Å; F224-V264 HydrophobicContact CD1-CG1 3.88Å; F224-V264 HydrophobicContact CE1-CB 4.46Å; F224-V264 HydrophobicContact CE1-CG1 3.71Å; F224-V264 HydrophobicContact CE1-CG2 3.84Å; F224-V264 HydrophobicContact CZ-CG1 4.32Å; F224-V264 HydrophobicContact CZ-CG2 4.07Å; F224-F268 HydrophobicContact CB-CZ 4.05Å; F224-F268 HydrophobicContact CD2-CE2 4.16Å; F224-F268 AromaticContact CD2-CZ 3.88Å; F224-F268 HydrophobicContact CD2-CZ 3.88Å; F224-F268 HydrophobicContact CG-CE2 4.31Å; F224-F268 HydrophobicContact CG-CZ 4.07Å; F224-I299 HydrophobicContact CE1-CB 4.15Å; F224-I299 HydrophobicContact CE1-CG2 4.18Å; F224-Q300 CarbonylContact O-C 3.51Å; F224-Q300 WeakPolarHBondContact O-CA 3.32Å; F224-A301 HydrophobicContact CD1-CB 4.34Å; F224-A301 PolarHBondContact N-O 2.83Å; F224-A301 PolarHBondContact O-N 3.38Å
225R98.7Very high97.9Very high8 Ų822.7 Ų22.73%0.0312%0.122CC..EExtended strand (participates in β ladder)trans-142.2125164.3-173.5173.9-178.51411110.9W90 E94 F95 L193 I194 F195 D281 I299W90-R225 VanDerWaalsContact CH2-CD 3.48Å; E94-R225 IonicContact OE1-NH1 2.93Å; E94-R225 IonicContact OE2-NH1 2.64Å; F95-R225 HydrophobicContact CE2-CB 4.45Å; F95-R225 HydrophobicContact CZ-CB 4.02Å; L193-R225 PolarHBondContact O-N 3.43Å; I194-R225 CarbonylContact C-O 3.58Å; I194-R225 WeakPolarHBondContact CA-O 3.44Å; F195-R225 HydrophobicContact CZ-CG 4.47Å; F195-R225 PolarHBondContact N-O 2.9Å; R225-D281 IonicContact CZ-OD2 2.65Å; R225-D281 IonicContact NH1-OD2 3.23Å; R225-D281 IonicContact NH2-OD2 2.87Å; R225-D281 PolarHBondContact NH2-OD2 3.4Å; R225-I299 VanDerWaalsContact CA-O 3.26Å; R225-I299 WeakPolarHBondContact CA-O 3.25Å
226D98.8Very high97.7Very high0 Ų029 Ų290%015%0.146CC..EExtended strand (participates in β ladder)trans-149.3178.2177.6-140.2-37.4000112.6V196 L197 S198 F224 F259 W298 I299V196-D226 PolarHBondContact N-OD2 3.04Å; L197-D226 PolarHBondContact N-OD2 3.17Å; S198-D226 WeakPolarHBondContact CB-OD1 3.04Å; S198-D226 WeakPolarHBondContact CB-OD2 3.24Å; S198-D226 PolarHBondContact N-OD2 2.77Å; S198-D226 VanDerWaalsContact OG-CG 3.29Å; S198-D226 PolarHBondContact OG-OD1 3.3Å; S198-D226 PolarHBondContact OG-OD2 2.7Å; F224-D226 HydrophobicContact CE1-CB 4.04Å; F224-D226 HydrophobicContact CE2-CB 3.76Å; F224-D226 HydrophobicContact CZ-CB 3.36Å; D226-F259 HydrophobicContact CB-CD2 3.95Å; D226-F259 HydrophobicContact CB-CE2 3.91Å; D226-W298 CarbonylContact O-C 3.5Å; D226-W298 VanDerWaalsContact O-CA 3.25Å; D226-W298 WeakPolarHBondContact O-CA 3.35Å; D226-W298 WeakPolarHBondContact O-CB 3.41Å; D226-I299 PolarHBondContact N-O 3.43Å; D226-I299 PolarHBondContact O-N 3.14Å
227Y98.7Very high97.6Very high30 Ų3030.4 Ų30.412%0.11815%0.152CC..EExtended strand (participates in β ladder)trans-67.7130.5-178.4-56.2-76.9000111.9F195 S198 R250 V256 F258 F259F195-Y227 HydrophobicContact CB-CE2 4.36Å; F195-Y227 HydrophobicContact CD1-CD1 4.33Å; F195-Y227 HydrophobicContact CD1-CD2 4.01Å; F195-Y227 HydrophobicContact CD1-CE1 4.01Å; F195-Y227 AromaticContact CD1-CE2 3.68Å; F195-Y227 HydrophobicContact CD1-CE2 3.68Å; F195-Y227 HydrophobicContact CD1-CG 4.33Å; F195-Y227 AromaticContact CD1-CZ 3.67Å; F195-Y227 HydrophobicContact CE1-CD1 4.17Å; F195-Y227 AromaticContact CE1-CE1 3.97Å; F195-Y227 HydrophobicContact CE1-CE1 3.97Å; F195-Y227 HydrophobicContact CE1-CE2 4.43Å; F195-Y227 HydrophobicContact CE1-CG 4.48Å; F195-Y227 HydrophobicContact CG-CE2 4.34Å; S198-Y227 WeakPolarHBondContact OG-CD2 3.25Å; Y227-R250 PolarHBondContact OH-NH2 3.32Å; Y227-V256 HydrophobicContact CD2-CG2 3.49Å; Y227-V256 VanDerWaalsContact CD2-CG2 3.49Å; Y227-V256 HydrophobicContact CE2-CG2 3.8Å; Y227-V256 HydrophobicContact CG-CG2 4.17Å; Y227-F258 HydrophobicContact CG-CE1 4.28Å; Y227-F259 WeakPolarHBondContact O-CD2 3.16Å; Y227-F259 PolarHBondContact O-N 3.25Å
228G98.5Very high97.4Very high0 Ų036.4 Ų36.40%018%0.178CC..BIsolated β-bridgetrans-90155.2173.800000112.6D231 F258 F259 V297G228-D231 WeakPolarHBondContact O-CB 3.25Å; G228-D231 PolarHBondContact O-N 2.84Å; G228-D231 VanDerWaalsContact O-N 3.11Å; G228-F258 WeakPolarHBondContact O-CD1 3.3Å; G228-F259 CarbonylContact C-O 3.5Å; G228-F259 VanDerWaalsContact CA-O 3.25Å; G228-F259 WeakPolarHBondContact CA-O 3.45Å; G228-V297 PolarHBondContact N-O 3.01Å
229R97.3Very high97.1Very high58 Ų5838.4 Ų38.422%0.21918%0.178CC..THydrogen-bonded Turntrans-55.4141.2173.7-165.5167.7-64.21777.2110.4D231 N246 F259 M260 E263R229-D231 PolarHBondContact O-N 3.42Å; R229-N246 VanDerWaalsContact CZ-ND2 3.26Å; R229-N246 PolarHBondContact NE-OD1 3.48Å; R229-N246 PolarHBondContact NH2-ND2 2.77Å; R229-N246 VanDerWaalsContact NH2-ND2 3.14Å; R229-F259 PolarHBondContact N-O 3.07Å; R229-M260 HydrophobicContact CB-CG 4.17Å; R229-M260 HydrophobicContact CB-SD 3.85Å; R229-M260 HydrophobicContact CG-SD 4.33Å; R229-E263 IonicContact NH2-OE1 3.32Å; R229-E263 PolarHBondContact NH2-OE1 2.84Å
230Y97Very high96.9Very high66 Ų6638.7 Ų38.726%0.25918%0.181SC..THydrogen-bonded Turntrans67.411.5-174.2-43.1-56.1000115.7W37 A45 A46 V49 M232 L235W37-Y230 HydrophobicContact CH2-CG 4.31Å; W37-Y230 WeakPolarHBondContact CH2-O 3.41Å; W37-Y230 VanDerWaalsContact CZ3-CB 3.46Å; W37-Y230 HydrophobicContact CZ3-CD2 4.03Å; W37-Y230 AromaticContact CZ3-CG 3.98Å; W37-Y230 HydrophobicContact CZ3-CG 3.98Å; A45-Y230 HydrophobicContact CB-CD1 3.88Å; A45-Y230 HydrophobicContact CB-CG 3.99Å; A46-Y230 HydrophobicContact CB-CE1 4.42Å; V49-Y230 HydrophobicContact CB-CE1 4.35Å; V49-Y230 HydrophobicContact CG2-CD1 3.63Å; V49-Y230 HydrophobicContact CG2-CE1 3.82Å; Y230-M232 PolarHBondContact O-N 3.28Å; Y230-L235 HydrophobicContact CD1-CD2 4.35Å
231D97.9Very high96.8Very high0 Ų043 Ų430%020%0.196CC..  trans-50.9143.2166.318074.4000110G228 R229 A233 Q234 L235 F258 R296 V297G228-D231 WeakPolarHBondContact O-CB 3.25Å; G228-D231 PolarHBondContact O-N 2.84Å; G228-D231 VanDerWaalsContact O-N 3.11Å; R229-D231 PolarHBondContact O-N 3.42Å; D231-A233 PolarHBondContact O-N 2.78Å; D231-A233 WeakPolarHBondContact OD2-CB 3.49Å; D231-A233 PolarHBondContact OD2-N 3.39Å; D231-Q234 WeakPolarHBondContact O-CA 3.38Å; D231-Q234 VanDerWaalsContact O-CB 3.3Å; D231-Q234 WeakPolarHBondContact O-CB 3.38Å; D231-Q234 PolarHBondContact O-N 3.07Å; D231-L235 PolarHBondContact O-N 3.31Å; D231-F258 HydrophobicContact CB-CD1 4.04Å; D231-F258 HydrophobicContact CB-CE1 3.93Å; D231-R296 WeakPolarHBondContact OD1-CA 3.25Å; D231-R296 IonicContact OD1-CZ 2.72Å; D231-R296 IonicContact OD1-NE 3.56Å; D231-R296 PolarHBondContact OD1-NE 2.7Å; D231-R296 IonicContact OD1-NH2 3.25Å; D231-R296 IonicContact OD2-CZ 3.83Å; D231-R296 IonicContact OD2-NE 3.86Å; D231-R296 IonicContact OD2-NH2 2.95Å; D231-R296 PolarHBondContact OD2-NH2 3.07Å; D231-V297 HydrophobicContact CB-CB 4.14Å; D231-V297 PolarHBondContact OD1-N 3.13Å
232M96.3Very high96.8Very high29 Ų2941 Ų4114%0.14319%0.187CC..Hα-helixtrans-45.9-36.3178.4176.1-171.375.400113.3Y230 L235 R236 M294 Y295Y230-M232 PolarHBondContact O-N 3.28Å; M232-L235 PolarHBondContact O-N 3.37Å; M232-R236 HydrophobicContact CG-CG 4.48Å; M232-R236 WeakPolarHBondContact O-CB 3.25Å; M232-R236 WeakPolarHBondContact O-CG 3.48Å; M232-R236 PolarHBondContact O-N 2.91Å; M232-R236 PolarHBondContact SD-NH1 3.11Å; M232-R236 VanDerWaalsContact SD-NH1 3.39Å; M232-R236 PolarHBondContact SD-NH2 2.97Å; M232-R236 VanDerWaalsContact SD-NH2 3.4Å; M232-M294 HydrophobicContact CE-CB 4.28Å; M232-M294 HydrophobicContact CE-CG 4.29Å; M232-M294 HydrophobicContact CE-SD 4.34Å; M232-M294 HydrophobicContact SD-CB 3.46Å; M232-M294 WeakPolarHBondContact SD-CB 3.48Å; M232-M294 HydrophobicContact SD-CG 3.48Å; M232-M294 WeakPolarHBondContact SD-CG 3.48Å; M232-M294 HydrophobicContact SD-SD 4.25Å; M232-Y295 WeakPolarHBondContact CB-O 3.1Å; M232-Y295 PolarHBondContact N-O 2.94Å
233A96.2Very high96.8Very high36 Ų3641.9 Ų41.930%0.29819%0.191SC..Hα-helixtrans-63.5-41.3177.600000112.1D231 L235 R236 F237 F258D231-A233 PolarHBondContact O-N 2.78Å; D231-A233 WeakPolarHBondContact OD2-CB 3.49Å; D231-A233 PolarHBondContact OD2-N 3.39Å; A233-L235 PolarHBondContact O-N 3.16Å; A233-R236 PolarHBondContact O-N 2.89Å; A233-F237 WeakPolarHBondContact O-CD2 3.22Å; A233-F237 PolarHBondContact O-N 2.91Å; A233-F258 HydrophobicContact CB-CE1 4.18Å; A233-F258 HydrophobicContact CB-CZ 4.02Å
234Q97.9Very high96.7Very high0 Ų044 Ų440%021%0.206CC..Hα-helixtrans-60.6-46.2176.5-165.217811.200111.3V49 N52 D231 R236 F237 N246 Y248 F258V49-Q234 HydrophobicContact CG2-CG 4.14Å; N52-Q234 PolarHBondContact ND2-O 3.48Å; N52-Q234 VanDerWaalsContact ND2-O 3.07Å; D231-Q234 WeakPolarHBondContact O-CA 3.38Å; D231-Q234 VanDerWaalsContact O-CB 3.3Å; D231-Q234 WeakPolarHBondContact O-CB 3.38Å; D231-Q234 PolarHBondContact O-N 3.07Å; Q234-R236 PolarHBondContact O-N 2.93Å; Q234-F237 PolarHBondContact O-N 3.19Å; Q234-N246 PolarHBondContact NE2-OD1 2.95Å; Q234-Y248 HydrophobicContact CG-CE2 3.77Å; Q234-Y248 PolarHBondContact NE2-OH 3.4Å; Q234-F258 HydrophobicContact CB-CD1 3.77Å; Q234-F258 HydrophobicContact CB-CD2 3.75Å; Q234-F258 HydrophobicContact CB-CE1 3.71Å; Q234-F258 HydrophobicContact CB-CE2 3.67Å; Q234-F258 HydrophobicContact CB-CG 3.8Å; Q234-F258 HydrophobicContact CB-CZ 3.66Å; Q234-F258 HydrophobicContact CG-CB 4.41Å; Q234-F258 HydrophobicContact CG-CD1 4.36Å; Q234-F258 HydrophobicContact CG-CD2 3.56Å; Q234-F258 HydrophobicContact CG-CE2 3.8Å; Q234-F258 HydrophobicContact CG-CG 3.86Å; Q234-F258 HydrophobicContact CG-CZ 4.32Å
235L96.9Very high96.5Very high41 Ų4149.6 Ų49.622%0.21524%0.236CC..Hα-helixtrans-68.1-22-176.2-54.8-174.4000112.8A45 K48 V49 N52 Y230 D231 M232 A233A45-L235 HydrophobicContact CB-CD1 4.05Å; A45-L235 HydrophobicContact CB-CD2 4.04Å; K48-L235 HydrophobicContact CB-CD2 4.3Å; K48-L235 WeakPolarHBondContact CE-O 3.44Å; K48-L235 HydrophobicContact CG-CB 4.26Å; K48-L235 VanDerWaalsContact CG-O 3.26Å; K48-L235 WeakPolarHBondContact CG-O 3.22Å; V49-L235 HydrophobicContact CG2-CD2 3.81Å; N52-L235 PolarHBondContact ND2-O 2.88Å; Y230-L235 HydrophobicContact CD1-CD2 4.35Å; D231-L235 PolarHBondContact O-N 3.31Å; M232-L235 PolarHBondContact O-N 3.37Å; A233-L235 PolarHBondContact O-N 3.16Å
236R95.8Very high96.4Very high149 Ų14950 Ų5056%0.56224%0.239SC*.THydrogen-bonded Turntrans-95.2-0.2-178.6-72.4-179.9178.7179.52.4114.5M232 A233 Q234M232-R236 HydrophobicContact CG-CG 4.48Å; M232-R236 WeakPolarHBondContact O-CB 3.25Å; M232-R236 WeakPolarHBondContact O-CG 3.48Å; M232-R236 PolarHBondContact O-N 2.91Å; M232-R236 PolarHBondContact SD-NH1 3.11Å; M232-R236 VanDerWaalsContact SD-NH1 3.39Å; M232-R236 PolarHBondContact SD-NH2 2.97Å; M232-R236 VanDerWaalsContact SD-NH2 3.4Å; A233-R236 PolarHBondContact O-N 2.89Å; Q234-R236 PolarHBondContact O-N 2.93Å
237F96Very high96.4Very high28 Ų2850.2 Ų50.212%0.12324%0.24CC..PPolyproline II helixtrans-60.1147.8172.5-88.6-82.1000111.1N52 A233 Q234 R241 Y248 A249 R250 V256 F258N52-F237 HydrophobicContact CB-CB 4.46Å; N52-F237 VanDerWaalsContact CG-O 3.23Å; N52-F237 PolarHBondContact ND2-O 3.05Å; N52-F237 PolarHBondContact OD1-O 2.9Å; N52-F237 VanDerWaalsContact OD1-O 3.11Å; A233-F237 WeakPolarHBondContact O-CD2 3.22Å; A233-F237 PolarHBondContact O-N 2.91Å; Q234-F237 PolarHBondContact O-N 3.19Å; F237-R241 HydrophobicContact CD1-CB 3.79Å; F237-R241 HydrophobicContact CD1-CG 4.32Å; F237-R241 HydrophobicContact CE1-CB 4.38Å; F237-Y248 HydrophobicContact CB-CD1 4.17Å; F237-Y248 HydrophobicContact CB-CE1 4.42Å; F237-Y248 HydrophobicContact CD1-CD1 4.19Å; F237-Y248 HydrophobicContact CD1-CG 4.27Å; F237-Y248 HydrophobicContact CD2-CD1 4.21Å; F237-Y248 HydrophobicContact CD2-CD2 4.35Å; F237-Y248 AromaticContact CD2-CG 3.99Å; F237-Y248 HydrophobicContact CD2-CG 3.99Å; F237-Y248 HydrophobicContact CE1-CG 4.37Å; F237-Y248 HydrophobicContact CE2-CD2 4.38Å; F237-Y248 HydrophobicContact CE2-CG 4.09Å; F237-Y248 AromaticContact CG-CD1 3.92Å; F237-Y248 HydrophobicContact CG-CD1 3.92Å; F237-Y248 HydrophobicContact CG-CG 4.08Å; F237-Y248 HydrophobicContact CZ-CG 4.28Å; F237-A249 WeakPolarHBondContact CE1-O 3.32Å; F237-R250 HydrophobicContact CE1-CG 4.44Å; F237-R250 HydrophobicContact CZ-CG 4.05Å; F237-V256 HydrophobicContact CE2-CG1 3.88Å; F237-V256 HydrophobicContact CZ-CG1 3.64Å; F237-F258 HydrophobicContact CD2-CE2 4.41Å; F237-F258 AromaticContact CE2-CE2 3.86Å; F237-F258 HydrophobicContact CE2-CE2 3.86Å; F237-F258 HydrophobicContact CE2-CZ 4.03Å
238K92Very high96.4Very high167 Ų16748.8 Ų48.873%0.72623%0.234SC*.PPolyproline II helixtrans-92155.4171-62.6-177.5179.8-179.20108.9R241K238-R241 WeakPolarHBondContact O-CB 3.26Å; K238-R241 WeakPolarHBondContact O-CG 3.36Å
239K91.8Very high96.4Very high123 Ų12348.8 Ų48.854%0.53523%0.234SC..SBendtrans-52.7149.4171.3-64.2-174.6178.3-178.50111.6E51E51-K239 IonicContact OE1-NZ 3.5Å
240G93.3Very high96.3Very high33 Ų3348.4 Ų48.434%0.3423%0.233SC..SBendtrans75.324.2-178.500000114.1I57I57-G240 VanDerWaalsContact CG2-O 3.22Å; I57-G240 WeakPolarHBondContact CG2-O 3.26Å
241R96Very high96.2Very high93 Ų9348.9 Ų48.935%0.35126%0.258SS..  trans-120-4.7174.4-62.7-63.8178.3171.7-3.4113.6F237 K238 Y248 A249F237-R241 HydrophobicContact CD1-CB 3.79Å; F237-R241 HydrophobicContact CD1-CG 4.32Å; F237-R241 HydrophobicContact CE1-CB 4.38Å; K238-R241 WeakPolarHBondContact O-CB 3.26Å; K238-R241 WeakPolarHBondContact O-CG 3.36Å; R241-Y248 CarbonylContact O-C 3.49Å; R241-Y248 VanDerWaalsContact O-CA 3.26Å; R241-Y248 WeakPolarHBondContact O-CA 3.41Å; R241-A249 PolarHBondContact O-N 2.95Å
242C97.9Very high96Very high0 Ų050.8 Ų50.80%027%0.268CS..EExtended strand (participates in β ladder)trans-82.8117.9-178.1-162.80000109.9L56 I57 S244 Y248L56-C242 WeakPolarHBondContact CA-O 3.47Å; L56-C242 HydrophobicContact CD2-CB 3.88Å; L56-C242 VanDerWaalsContact CD2-SG 3.51Å; I57-C242 PolarHBondContact N-O 3.29Å; C242-S244 PolarHBondContact SG-O 3.32Å; C242-Y248 HydrophobicContact CB-CD1 3.93Å; C242-Y248 HydrophobicContact CB-CE1 3.79Å
243L97.4Very high96Very high18 Ų1849.7 Ų49.79%0.09426%0.264CS..EExtended strand (participates in β ladder)trans-81.7-44.4177.9-63168.3000110.8I57 A62 Y65 F247 A249 R255I57-L243 HydrophobicContact CD1-CD2 3.28Å; I57-L243 HydrophobicContact CD1-CG 4.47Å; I57-L243 HydrophobicContact CG1-CD2 4.02Å; A62-L243 HydrophobicContact CB-CD2 4.19Å; Y65-L243 HydrophobicContact CD2-CD2 3.55Å; Y65-L243 HydrophobicContact CE2-CD2 4.23Å; Y65-L243 HydrophobicContact CG-CD2 4.09Å; L243-F247 HydrophobicContact CB-CB 4.34Å; L243-F247 HydrophobicContact CB-CD1 3.61Å; L243-F247 HydrophobicContact CB-CE1 4.27Å; L243-F247 HydrophobicContact CB-CG 4.21Å; L243-F247 WeakPolarHBondContact CB-O 3.49Å; L243-F247 HydrophobicContact CD1-CD1 3.54Å; L243-F247 HydrophobicContact CD1-CD2 4.5Å; L243-F247 HydrophobicContact CD1-CE1 3.47Å; L243-F247 VanDerWaalsContact CD1-CE1 3.47Å; L243-F247 HydrophobicContact CD1-CE2 4.45Å; L243-F247 HydrophobicContact CD1-CG 4.07Å; L243-F247 HydrophobicContact CD1-CZ 3.96Å; L243-F247 HydrophobicContact CG-CD1 4.2Å; L243-F247 HydrophobicContact CG-CE1 4.5Å; L243-F247 PolarHBondContact N-O 3.45Å; L243-A249 HydrophobicContact CD1-CB 4.15Å; L243-A249 HydrophobicContact CD2-CB 4.17Å; L243-A249 HydrophobicContact CG-CB 4.2Å; L243-R255 HydrophobicContact CD1-CB 4.35Å; L243-R255 HydrophobicContact CD1-CG 3.96Å
244S96.7Very high96.1Very high46 Ų4648 Ų4832%0.32225%0.25SC..EExtended strand (participates in β ladder)trans-160.1178.6175.363.90000108C242 N246 F247C242-S244 PolarHBondContact SG-O 3.32Å; S244-N246 PolarHBondContact O-N 2.92Å; S244-F247 PolarHBondContact N-O 3.43Å; S244-F247 PolarHBondContact O-N 3.05Å; S244-F247 VanDerWaalsContact O-O 3.13Å; S244-F247 VanDerWaalsContact OG-CB 3.29Å; S244-F247 WeakPolarHBondContact OG-CB 3.49Å
245D95.2Very high96.1Very high116 Ų11648.6 Ų48.662%0.6225%0.252SS*.THydrogen-bonded Turntrans-49119.6180-68.7-12.8000112.1F247 Y257D245-F247 PolarHBondContact O-N 2.95Å; D245-F247 VanDerWaalsContact O-N 3.1Å; D245-Y257 VanDerWaalsContact O-CE2 3.3Å; D245-Y257 WeakPolarHBondContact O-CE2 3.34Å
246N97.5Very high96.2Very high16 Ų1646.7 Ų46.79%0.08624%0.242CC..THydrogen-bonded Turntrans60.510.8-178.6-50.5-76.3000116.1R229 Q234 S244 Y248 Y257 F258R229-N246 VanDerWaalsContact CZ-ND2 3.26Å; R229-N246 PolarHBondContact NE-OD1 3.48Å; R229-N246 PolarHBondContact NH2-ND2 2.77Å; R229-N246 VanDerWaalsContact NH2-ND2 3.14Å; Q234-N246 PolarHBondContact NE2-OD1 2.95Å; S244-N246 PolarHBondContact O-N 2.92Å; N246-Y248 VanDerWaalsContact C-CE2 3.45Å; N246-Y257 HydrophobicContact CB-CE2 4.09Å; N246-Y257 WeakPolarHBondContact O-CA 3.16Å; N246-F258 PolarHBondContact O-N 3.27Å
247F98.4Very high96.3Very high5 Ų540.5 Ų40.52%0.02222%0.219CC..EExtended strand (participates in β ladder)trans-112.8124.3177.4-165.9-142.3000110.9L200 P202 L243 S244 D245 R255 V256 Y257L200-F247 VanDerWaalsContact O-CE2 3.28Å; L200-F247 WeakPolarHBondContact O-CE2 3.45Å; L200-F247 VanDerWaalsContact O-CZ 3.28Å; L200-F247 WeakPolarHBondContact O-CZ 3.29Å; P202-F247 HydrophobicContact CG-CB 4.47Å; P202-F247 HydrophobicContact CG-CD1 4.46Å; P202-F247 HydrophobicContact CG-CG 4.31Å; L243-F247 HydrophobicContact CB-CB 4.34Å; L243-F247 HydrophobicContact CB-CD1 3.61Å; L243-F247 HydrophobicContact CB-CE1 4.27Å; L243-F247 HydrophobicContact CB-CG 4.21Å; L243-F247 WeakPolarHBondContact CB-O 3.49Å; L243-F247 HydrophobicContact CD1-CD1 3.54Å; L243-F247 HydrophobicContact CD1-CD2 4.5Å; L243-F247 HydrophobicContact CD1-CE1 3.47Å; L243-F247 VanDerWaalsContact CD1-CE1 3.47Å; L243-F247 HydrophobicContact CD1-CE2 4.45Å; L243-F247 HydrophobicContact CD1-CG 4.07Å; L243-F247 HydrophobicContact CD1-CZ 3.96Å; L243-F247 HydrophobicContact CG-CD1 4.2Å; L243-F247 HydrophobicContact CG-CE1 4.5Å; L243-F247 PolarHBondContact N-O 3.45Å; S244-F247 PolarHBondContact N-O 3.43Å; S244-F247 PolarHBondContact O-N 3.05Å; S244-F247 VanDerWaalsContact O-O 3.13Å; S244-F247 VanDerWaalsContact OG-CB 3.29Å; S244-F247 WeakPolarHBondContact OG-CB 3.49Å; D245-F247 PolarHBondContact O-N 2.95Å; D245-F247 VanDerWaalsContact O-N 3.1Å; F247-R255 HydrophobicContact CE2-CB 3.65Å; F247-R255 HydrophobicContact CZ-CB 3.67Å; F247-R255 HydrophobicContact CZ-CG 4.22Å; F247-V256 WeakPolarHBondContact CD2-O 3.2Å; F247-Y257 HydrophobicContact CB-CD2 3.82Å; F247-Y257 HydrophobicContact CB-CE2 4.48Å; F247-Y257 HydrophobicContact CD2-CD2 4.15Å; F247-Y257 HydrophobicContact CG-CD2 4.28Å
248Y98.5Very high96.5Very high0 Ų039.2 Ų39.20%021%0.214CC..EExtended strand (participates in β ladder)trans-131.8146.3-172.2-56.1-95.8000112.4N52 Q234 F237 R241 C242 N246 R255 V256 F258N52-Y248 HydrophobicContact CB-CE1 4.4Å; Q234-Y248 HydrophobicContact CG-CE2 3.77Å; Q234-Y248 PolarHBondContact NE2-OH 3.4Å; F237-Y248 HydrophobicContact CB-CD1 4.17Å; F237-Y248 HydrophobicContact CB-CE1 4.42Å; F237-Y248 HydrophobicContact CD1-CD1 4.19Å; F237-Y248 HydrophobicContact CD1-CG 4.27Å; F237-Y248 HydrophobicContact CD2-CD1 4.21Å; F237-Y248 HydrophobicContact CD2-CD2 4.35Å; F237-Y248 AromaticContact CD2-CG 3.99Å; F237-Y248 HydrophobicContact CD2-CG 3.99Å; F237-Y248 HydrophobicContact CE1-CG 4.37Å; F237-Y248 HydrophobicContact CE2-CD2 4.38Å; F237-Y248 HydrophobicContact CE2-CG 4.09Å; F237-Y248 AromaticContact CG-CD1 3.92Å; F237-Y248 HydrophobicContact CG-CD1 3.92Å; F237-Y248 HydrophobicContact CG-CG 4.08Å; F237-Y248 HydrophobicContact CZ-CG 4.28Å; R241-Y248 CarbonylContact O-C 3.49Å; R241-Y248 VanDerWaalsContact O-CA 3.26Å; R241-Y248 WeakPolarHBondContact O-CA 3.41Å; C242-Y248 HydrophobicContact CB-CD1 3.93Å; C242-Y248 HydrophobicContact CB-CE1 3.79Å; N246-Y248 VanDerWaalsContact C-CE2 3.45Å; Y248-R255 CarbonylContact O-C 3.54Å; Y248-R255 WeakPolarHBondContact O-CA 3.4Å; Y248-V256 PolarHBondContact N-O 3.44Å; Y248-V256 PolarHBondContact O-N 3.46Å; Y248-F258 AromaticContact CD2-CD2 3.8Å; Y248-F258 HydrophobicContact CD2-CD2 3.8Å; Y248-F258 AromaticContact CD2-CE2 3.73Å; Y248-F258 HydrophobicContact CD2-CE2 3.73Å; Y248-F258 AromaticContact CE2-CD2 3.88Å; Y248-F258 HydrophobicContact CE2-CD2 3.88Å; Y248-F258 HydrophobicContact CE2-CE2 4.12Å
249A97.8Very high96.8Very high0 Ų031.4 Ų31.40%018%0.179CC..EExtended strand (participates in β ladder)trans-90.7129.4167.400000110.6Y65 F237 R241 L243Y65-A249 HydrophobicContact CD1-CB 3.98Å; Y65-A249 HydrophobicContact CD2-CB 4.16Å; Y65-A249 HydrophobicContact CE1-CB 3.67Å; Y65-A249 HydrophobicContact CE2-CB 3.86Å; Y65-A249 HydrophobicContact CG-CB 4.23Å; F237-A249 WeakPolarHBondContact CE1-O 3.32Å; R241-A249 PolarHBondContact O-N 2.95Å; L243-A249 HydrophobicContact CD1-CB 4.15Å; L243-A249 HydrophobicContact CD2-CB 4.17Å; L243-A249 HydrophobicContact CG-CB 4.2Å
250R96.2Very high97.1Very high50 Ų5028.3 Ų28.319%0.18917%0.168CC..  trans-79.5170.4175-63.3179-177.3164.2-0.4110.8Y227 F237 D252 G253 T254 V256Y227-R250 PolarHBondContact OH-NH2 3.32Å; F237-R250 HydrophobicContact CE1-CG 4.44Å; F237-R250 HydrophobicContact CZ-CG 4.05Å; R250-D252 WeakPolarHBondContact CB-OD1 3.4Å; R250-D252 PolarHBondContact O-N 3.5Å; R250-G253 PolarHBondContact O-N 3.5Å; R250-T254 WeakPolarHBondContact CB-O 3.33Å; R250-T254 WeakPolarHBondContact CD-OG1 3.37Å; R250-T254 PolarHBondContact N-O 3.2Å; R250-V256 HydrophobicContact CG-CG1 4.18Å
251G93.9Very high97.3Very high77 Ų7727.9 Ų27.979%0.79416%0.159SC*.THydrogen-bonded Turntrans-65.1-22.1-179.200000114.5
252D95.2Very high97.5Very high40 Ų4029.1 Ų29.121%0.21417%0.168CC..THydrogen-bonded Turntrans-91.33.217556.619.7000113.3Y72 F76 R250 T254Y72-D252 WeakPolarHBondContact CD1-O 3.42Å; F76-D252 WeakPolarHBondContact CD2-OD2 3.41Å; R250-D252 WeakPolarHBondContact CB-OD1 3.4Å; R250-D252 PolarHBondContact O-N 3.5Å; D252-T254 VanDerWaalsContact C-N 3.26Å; D252-T254 PolarHBondContact O-N 3.34Å; D252-T254 WeakPolarHBondContact OD1-CB 3.19Å; D252-T254 PolarHBondContact OD1-N 3.16Å; D252-T254 PolarHBondContact OD1-OG1 2.9Å
253G96.5Very high97.5Very high5 Ų531.6 Ų31.65%0.05218%0.18CC..SBendtrans82.2-10.1-179.300000115.4Y72 R250Y72-G253 WeakPolarHBondContact CD2-O 3.31Å; R250-G253 PolarHBondContact O-N 3.5Å
254T97.3Very high97.5Very high1 Ų130.7 Ų30.71%0.00618%0.176CC..  trans-66.2161.6168.968.40000110.3W73 F76 R250 D252W73-T254 HydrophobicContact CD2-CG2 3.74Å; W73-T254 HydrophobicContact CE3-CG2 3.89Å; W73-T254 HydrophobicContact CG-CG2 4.17Å; W73-T254 HydrophobicContact CH2-CG2 4.37Å; W73-T254 HydrophobicContact CZ2-CG2 4.23Å; W73-T254 HydrophobicContact CZ3-CG2 4.19Å; F76-T254 HydrophobicContact CB-CG2 4.12Å; F76-T254 HydrophobicContact CD2-CG2 4.31Å; F76-T254 HydrophobicContact CG-CG2 4.36Å; R250-T254 WeakPolarHBondContact CB-O 3.33Å; R250-T254 WeakPolarHBondContact CD-OG1 3.37Å; R250-T254 PolarHBondContact N-O 3.2Å; D252-T254 VanDerWaalsContact C-N 3.26Å; D252-T254 PolarHBondContact O-N 3.34Å; D252-T254 WeakPolarHBondContact OD1-CB 3.19Å; D252-T254 PolarHBondContact OD1-N 3.16Å; D252-T254 PolarHBondContact OD1-OG1 2.9Å
255R98Very high97.6Very high12 Ų1230.8 Ų30.85%0.04517%0.172CC..EExtended strand (participates in β ladder)trans-122.2158.2-169.8-53.8178.4-61.5177.9-4.1111.8E66 S199 L243 F247 Y248E66-R255 IonicContact OE2-CZ 3.85Å; E66-R255 VanDerWaalsContact OE2-CZ 3.23Å; E66-R255 IonicContact OE2-NH1 2.9Å; E66-R255 PolarHBondContact OE2-NH1 3.03Å; E66-R255 IonicContact OE2-NH2 3.9Å; E66-R255 PolarHBondContact OE2-NH2 3.42Å; S199-R255 PolarHBondContact O-NE 3.38Å; S199-R255 PolarHBondContact O-NH2 3.2Å; L243-R255 HydrophobicContact CD1-CB 4.35Å; L243-R255 HydrophobicContact CD1-CG 3.96Å; F247-R255 HydrophobicContact CE2-CB 3.65Å; F247-R255 HydrophobicContact CZ-CB 3.67Å; F247-R255 HydrophobicContact CZ-CG 4.22Å; Y248-R255 CarbonylContact O-C 3.54Å; Y248-R255 WeakPolarHBondContact O-CA 3.4Å
256V98.5Very high97.8Very high1 Ų128.3 Ų28.31%0.00617%0.168CC..EExtended strand (participates in β ladder)trans-149.9127.5178.960.20000111.3S198 Y227 F237 F247 Y248 R250 F258S198-V256 CarbonylContact O-C 3.58Å; S198-V256 VanDerWaalsContact O-C 3.32Å; S198-V256 WeakPolarHBondContact O-CA 3.43Å; Y227-V256 HydrophobicContact CD2-CG2 3.49Å; Y227-V256 VanDerWaalsContact CD2-CG2 3.49Å; Y227-V256 HydrophobicContact CE2-CG2 3.8Å; Y227-V256 HydrophobicContact CG-CG2 4.17Å; F237-V256 HydrophobicContact CE2-CG1 3.88Å; F237-V256 HydrophobicContact CZ-CG1 3.64Å; F247-V256 WeakPolarHBondContact CD2-O 3.2Å; Y248-V256 PolarHBondContact N-O 3.44Å; Y248-V256 PolarHBondContact O-N 3.46Å; R250-V256 HydrophobicContact CG-CG1 4.18Å; V256-F258 HydrophobicContact CB-CE2 4.47Å; V256-F258 HydrophobicContact CG1-CE2 3.78Å; V256-F258 HydrophobicContact CG1-CZ 4Å; V256-F258 HydrophobicContact CG2-CE1 4.29Å; V256-F258 HydrophobicContact CG2-CE2 4.01Å; V256-F258 HydrophobicContact CG2-CZ 3.86Å
257Y98.8Very high97.9Very high20 Ų2028.7 Ų28.78%0.07817%0.17CC..EExtended strand (participates in β ladder)trans-99.6148.8168.1-169.2-96.4000110.9S198 P202 F205 D245 N246 F247 F259 E263S198-Y257 VanDerWaalsContact CB-O 3.25Å; S198-Y257 WeakPolarHBondContact CB-O 3.43Å; S198-Y257 PolarHBondContact O-N 2.88Å; P202-Y257 HydrophobicContact CB-CE2 4.33Å; P202-Y257 HydrophobicContact CG-CD2 3.49Å; P202-Y257 VanDerWaalsContact CG-CD2 3.49Å; P202-Y257 HydrophobicContact CG-CE2 3.64Å; P202-Y257 HydrophobicContact CG-CG 4.31Å; F205-Y257 AromaticContact CE2-CD1 3.96Å; F205-Y257 HydrophobicContact CE2-CD1 3.96Å; F205-Y257 HydrophobicContact CE2-CE1 4.15Å; F205-Y257 HydrophobicContact CE2-CG 4.22Å; F205-Y257 HydrophobicContact CZ-CD1 4.06Å; F205-Y257 HydrophobicContact CZ-CD2 4.44Å; F205-Y257 AromaticContact CZ-CG 3.94Å; F205-Y257 HydrophobicContact CZ-CG 3.94Å; D245-Y257 VanDerWaalsContact O-CE2 3.3Å; D245-Y257 WeakPolarHBondContact O-CE2 3.34Å; N246-Y257 HydrophobicContact CB-CE2 4.09Å; N246-Y257 WeakPolarHBondContact O-CA 3.16Å; F247-Y257 HydrophobicContact CB-CD2 3.82Å; F247-Y257 HydrophobicContact CB-CE2 4.48Å; F247-Y257 HydrophobicContact CD2-CD2 4.15Å; F247-Y257 HydrophobicContact CG-CD2 4.28Å; Y257-F259 AromaticContact CD1-CD1 3.7Å; Y257-F259 HydrophobicContact CD1-CD1 3.7Å; Y257-F259 AromaticContact CD1-CD2 3.94Å; Y257-F259 HydrophobicContact CD1-CD2 3.94Å; Y257-F259 AromaticContact CD1-CE1 3.64Å; Y257-F259 HydrophobicContact CD1-CE1 3.64Å; Y257-F259 AromaticContact CD1-CE2 3.88Å; Y257-F259 HydrophobicContact CD1-CE2 3.88Å; Y257-F259 AromaticContact CD1-CG 3.85Å; Y257-F259 HydrophobicContact CD1-CG 3.85Å; Y257-F259 AromaticContact CD1-CZ 3.72Å; Y257-F259 HydrophobicContact CD1-CZ 3.72Å; Y257-F259 AromaticContact CE1-CD1 3.71Å; Y257-F259 HydrophobicContact CE1-CD1 3.71Å; Y257-F259 AromaticContact CE1-CE1 3.92Å; Y257-F259 HydrophobicContact CE1-CE1 3.92Å; Y257-F259 HydrophobicContact CE1-CG 4.1Å; Y257-F259 HydrophobicContact CE1-CZ 4.45Å; Y257-E263 VanDerWaalsContact CE1-OE2 3.24Å; Y257-E263 WeakPolarHBondContact CE1-OE2 3.1Å; Y257-E263 VanDerWaalsContact CZ-OE2 3.32Å; Y257-E263 PolarHBondContact OH-OE1 2.86Å; Y257-E263 PolarHBondContact OH-OE2 3.38Å
258F98.8Very high97.9Very high1 Ų128.5 Ų28.50%0.00417%0.169CC..  trans-119.6112.5178.3-64.9-87.6000111.7Y227 G228 D231 A233 Q234 F237 N246 Y248 V256Y227-F258 HydrophobicContact CG-CE1 4.28Å; G228-F258 WeakPolarHBondContact O-CD1 3.3Å; D231-F258 HydrophobicContact CB-CD1 4.04Å; D231-F258 HydrophobicContact CB-CE1 3.93Å; A233-F258 HydrophobicContact CB-CE1 4.18Å; A233-F258 HydrophobicContact CB-CZ 4.02Å; Q234-F258 HydrophobicContact CB-CD1 3.77Å; Q234-F258 HydrophobicContact CB-CD2 3.75Å; Q234-F258 HydrophobicContact CB-CE1 3.71Å; Q234-F258 HydrophobicContact CB-CE2 3.67Å; Q234-F258 HydrophobicContact CB-CG 3.8Å; Q234-F258 HydrophobicContact CB-CZ 3.66Å; Q234-F258 HydrophobicContact CG-CB 4.41Å; Q234-F258 HydrophobicContact CG-CD1 4.36Å; Q234-F258 HydrophobicContact CG-CD2 3.56Å; Q234-F258 HydrophobicContact CG-CE2 3.8Å; Q234-F258 HydrophobicContact CG-CG 3.86Å; Q234-F258 HydrophobicContact CG-CZ 4.32Å; F237-F258 HydrophobicContact CD2-CE2 4.41Å; F237-F258 AromaticContact CE2-CE2 3.86Å; F237-F258 HydrophobicContact CE2-CE2 3.86Å; F237-F258 HydrophobicContact CE2-CZ 4.03Å; N246-F258 PolarHBondContact O-N 3.27Å; Y248-F258 AromaticContact CD2-CD2 3.8Å; Y248-F258 HydrophobicContact CD2-CD2 3.8Å; Y248-F258 AromaticContact CD2-CE2 3.73Å; Y248-F258 HydrophobicContact CD2-CE2 3.73Å; Y248-F258 AromaticContact CE2-CD2 3.88Å; Y248-F258 HydrophobicContact CE2-CD2 3.88Å; Y248-F258 HydrophobicContact CE2-CE2 4.12Å; V256-F258 HydrophobicContact CB-CE2 4.47Å; V256-F258 HydrophobicContact CG1-CE2 3.78Å; V256-F258 HydrophobicContact CG1-CZ 4Å; V256-F258 HydrophobicContact CG2-CE1 4.29Å; V256-F258 HydrophobicContact CG2-CE2 4.01Å; V256-F258 HydrophobicContact CG2-CZ 3.86Å
259F98.8Very high97.9Very high2 Ų231 Ų311%0.00919%0.19CC..BIsolated β-bridgetrans-85.2139.8-168.6-66.3-87.8000113.7L197 F205 F224 D226 Y227 G228 R229 Y257 E263 V264 I299L197-F259 HydrophobicContact CB-CE2 4.34Å; L197-F259 HydrophobicContact CB-CZ 3.73Å; F205-F259 AromaticContact CD2-CE1 3.96Å; F205-F259 HydrophobicContact CD2-CE1 3.96Å; F205-F259 HydrophobicContact CD2-CZ 4.39Å; F205-F259 HydrophobicContact CE1-CZ 4.5Å; F205-F259 HydrophobicContact CE2-CD1 4.5Å; F205-F259 AromaticContact CE2-CE1 3.4Å; F205-F259 HydrophobicContact CE2-CE1 3.4Å; F205-F259 AromaticContact CE2-CZ 3.66Å; F205-F259 HydrophobicContact CE2-CZ 3.66Å; F205-F259 AromaticContact CZ-CE1 3.97Å; F205-F259 HydrophobicContact CZ-CE1 3.97Å; F205-F259 AromaticContact CZ-CZ 3.71Å; F205-F259 HydrophobicContact CZ-CZ 3.71Å; F224-F259 HydrophobicContact CZ-CD2 4.33Å; F224-F259 HydrophobicContact CZ-CE2 4.33Å; D226-F259 HydrophobicContact CB-CD2 3.95Å; D226-F259 HydrophobicContact CB-CE2 3.91Å; Y227-F259 WeakPolarHBondContact O-CD2 3.16Å; Y227-F259 PolarHBondContact O-N 3.25Å; G228-F259 CarbonylContact C-O 3.5Å; G228-F259 VanDerWaalsContact CA-O 3.25Å; G228-F259 WeakPolarHBondContact CA-O 3.45Å; R229-F259 PolarHBondContact N-O 3.07Å; Y257-F259 AromaticContact CD1-CD1 3.7Å; Y257-F259 HydrophobicContact CD1-CD1 3.7Å; Y257-F259 AromaticContact CD1-CD2 3.94Å; Y257-F259 HydrophobicContact CD1-CD2 3.94Å; Y257-F259 AromaticContact CD1-CE1 3.64Å; Y257-F259 HydrophobicContact CD1-CE1 3.64Å; Y257-F259 AromaticContact CD1-CE2 3.88Å; Y257-F259 HydrophobicContact CD1-CE2 3.88Å; Y257-F259 AromaticContact CD1-CG 3.85Å; Y257-F259 HydrophobicContact CD1-CG 3.85Å; Y257-F259 AromaticContact CD1-CZ 3.72Å; Y257-F259 HydrophobicContact CD1-CZ 3.72Å; Y257-F259 AromaticContact CE1-CD1 3.71Å; Y257-F259 HydrophobicContact CE1-CD1 3.71Å; Y257-F259 AromaticContact CE1-CE1 3.92Å; Y257-F259 HydrophobicContact CE1-CE1 3.92Å; Y257-F259 HydrophobicContact CE1-CG 4.1Å; Y257-F259 HydrophobicContact CE1-CZ 4.45Å; F259-E263 VanDerWaalsContact CA-OE1 3.25Å; F259-E263 WeakPolarHBondContact CA-OE1 3.48Å; F259-E263 HydrophobicContact CD1-CG 4.23Å; F259-V264 HydrophobicContact CB-CG2 3.8Å; F259-V264 HydrophobicContact CD1-CG2 3.74Å; F259-V264 HydrophobicContact CG-CG2 3.95Å; F259-I299 HydrophobicContact CB-CG1 4.03Å
260M98.3Very high97.9Very high59 Ų5939.6 Ų39.629%0.29123%0.227SC..  trans-82.3150.7154.8-74-71.1-72.900110.1R229 E262 E263 V264R229-M260 HydrophobicContact CB-CG 4.17Å; R229-M260 HydrophobicContact CB-SD 3.85Å; R229-M260 HydrophobicContact CG-SD 4.33Å; M260-E262 VanDerWaalsContact C-N 3.27Å; M260-E262 WeakPolarHBondContact CE-OE2 3.43Å; M260-E262 PolarHBondContact O-N 2.81Å; M260-E263 HydrophobicContact CB-CG 4Å; M260-E263 PolarHBondContact N-OE1 2.77Å; M260-E263 WeakPolarHBondContact O-CG 3.43Å; M260-E263 PolarHBondContact O-N 3.43Å; M260-V264 PolarHBondContact O-N 3.5Å
261P98.4Very high98Very high23 Ų2338.4 Ų38.415%0.14923%0.226CC..Hα-helixtrans-62.5-34.9176.924.5-32000112.5E263 V264 D265 L278 V280 I299P261-E263 PolarHBondContact O-N 2.99Å; P261-V264 PolarHBondContact O-N 3.09Å; P261-D265 PolarHBondContact O-N 2.97Å; P261-L278 HydrophobicContact CB-CD1 4.29Å; P261-L278 HydrophobicContact CB-CD2 3.35Å; P261-L278 HydrophobicContact CB-CG 4.47Å; P261-L278 VanDerWaalsContact O-CD1 3.32Å; P261-L278 WeakPolarHBondContact O-CD1 3.4Å; P261-V280 HydrophobicContact CB-CG2 3.86Å; P261-V280 HydrophobicContact CG-CG2 3.83Å; P261-I299 HydrophobicContact CB-CD1 4.31Å
262E98.6Very high98.2Very high119 Ų11937.3 Ų37.356%0.55622%0.215SC*.Hα-helixtrans-67.1-36.4-178.4-60.973.3-157.300112.6M260 D265 A266M260-E262 VanDerWaalsContact C-N 3.27Å; M260-E262 WeakPolarHBondContact CE-OE2 3.43Å; M260-E262 PolarHBondContact O-N 2.81Å; E262-D265 PolarHBondContact O-N 2.96Å; E262-A266 VanDerWaalsContact O-CB 3.32Å; E262-A266 WeakPolarHBondContact O-CB 3.32Å; E262-A266 PolarHBondContact O-N 3.23Å
263E98.2Very high98.4Very high52 Ų5236 Ų3624%0.24321%0.208CC..Hα-helixtrans-73.6-32178.261.3-179.9139.800112.3R229 Y257 F259 M260 P261 L267R229-E263 IonicContact NH2-OE1 3.32Å; R229-E263 PolarHBondContact NH2-OE1 2.84Å; Y257-E263 VanDerWaalsContact CE1-OE2 3.24Å; Y257-E263 WeakPolarHBondContact CE1-OE2 3.1Å; Y257-E263 VanDerWaalsContact CZ-OE2 3.32Å; Y257-E263 PolarHBondContact OH-OE1 2.86Å; Y257-E263 PolarHBondContact OH-OE2 3.38Å; F259-E263 VanDerWaalsContact CA-OE1 3.25Å; F259-E263 WeakPolarHBondContact CA-OE1 3.48Å; F259-E263 HydrophobicContact CD1-CG 4.23Å; M260-E263 HydrophobicContact CB-CG 4Å; M260-E263 PolarHBondContact N-OE1 2.77Å; M260-E263 WeakPolarHBondContact O-CG 3.43Å; M260-E263 PolarHBondContact O-N 3.43Å; P261-E263 PolarHBondContact O-N 2.99Å; E263-L267 WeakPolarHBondContact O-CB 3.45Å; E263-L267 PolarHBondContact O-N 2.95Å
264V98.8Very high98.5Very high0 Ų041.9 Ų41.90%023%0.234CC..Hα-helixtrans-65.5-47.9171.9178.40000109.5F224 F259 M260 P261 A266 L267 F268 L278 I299 Y303F224-V264 HydrophobicContact CD1-CG1 3.88Å; F224-V264 HydrophobicContact CE1-CB 4.46Å; F224-V264 HydrophobicContact CE1-CG1 3.71Å; F224-V264 HydrophobicContact CE1-CG2 3.84Å; F224-V264 HydrophobicContact CZ-CG1 4.32Å; F224-V264 HydrophobicContact CZ-CG2 4.07Å; F259-V264 HydrophobicContact CB-CG2 3.8Å; F259-V264 HydrophobicContact CD1-CG2 3.74Å; F259-V264 HydrophobicContact CG-CG2 3.95Å; M260-V264 PolarHBondContact O-N 3.5Å; P261-V264 PolarHBondContact O-N 3.09Å; V264-A266 PolarHBondContact O-N 2.93Å; V264-L267 PolarHBondContact O-N 3.1Å; V264-F268 HydrophobicContact CG1-CD2 3.93Å; V264-F268 HydrophobicContact CG1-CE2 3.94Å; V264-F268 VanDerWaalsContact O-CD2 3.26Å; V264-F268 WeakPolarHBondContact O-CD2 3.4Å; V264-F268 PolarHBondContact O-N 3.34Å; V264-F268 VanDerWaalsContact O-N 3.09Å; V264-L278 HydrophobicContact CB-CD1 4.36Å; V264-L278 HydrophobicContact CG1-CD1 4.41Å; V264-I299 HydrophobicContact CB-CG2 4.43Å; V264-I299 HydrophobicContact CG2-CG2 4.1Å; V264-Y303 HydrophobicContact CG1-CE2 4.17Å
265D98.8Very high98.6Very high48 Ų4846.2 Ų46.226%0.25725%0.253SS..Hα-helixtrans-59.2-47.9177.6-165.948.4000112.2P261 E262 L267 F268 A269 K275 L278 Y303P261-D265 PolarHBondContact O-N 2.97Å; E262-D265 PolarHBondContact O-N 2.96Å; D265-L267 VanDerWaalsContact C-N 3.34Å; D265-L267 PolarHBondContact O-N 3.36Å; D265-F268 PolarHBondContact O-N 3.26Å; D265-A269 WeakPolarHBondContact O-CB 3.44Å; D265-A269 PolarHBondContact O-N 3.42Å; D265-K275 VanDerWaalsContact OD1-CD 3.25Å; D265-K275 WeakPolarHBondContact OD1-CD 3.38Å; D265-K275 WeakPolarHBondContact OD1-CE 3.28Å; D265-K275 IonicContact OD1-NZ 2.95Å; D265-K275 PolarHBondContact OD1-NZ 2.8Å; D265-K275 IonicContact OD2-NZ 3.74Å; D265-K275 PolarHBondContact OD2-NZ 3.2Å; D265-L278 HydrophobicContact CB-CD1 4.15Å; D265-Y303 VanDerWaalsContact CA-OH 3.24Å; D265-Y303 WeakPolarHBondContact CA-OH 3.36Å; D265-Y303 PolarHBondContact N-OH 3Å
266A98.8Very high98.6Very high63 Ų6349.2 Ų49.252%0.52127%0.272SS..Hα-helixtrans-61.4-41.1178.300000112.6E262 V264 K270E262-A266 VanDerWaalsContact O-CB 3.32Å; E262-A266 WeakPolarHBondContact O-CB 3.32Å; E262-A266 PolarHBondContact O-N 3.23Å; V264-A266 PolarHBondContact O-N 2.93Å; A266-K270 VanDerWaalsContact O-CB 3.22Å; A266-K270 WeakPolarHBondContact O-CB 3.39Å; A266-K270 PolarHBondContact O-N 3.38Å
267L98.8Very high98.5Very high24 Ų2451 Ų5113%0.12628%0.28CS..Hα-helixtrans-61.4-53.1178.4171.663.8000111.7L197 F205 V209 E263 V264 D265 K270 C271L197-L267 HydrophobicContact CD1-CD2 3.98Å; F205-L267 HydrophobicContact CB-CD1 3.92Å; F205-L267 HydrophobicContact CB-CD2 3.82Å; F205-L267 HydrophobicContact CD2-CD2 4.39Å; F205-L267 HydrophobicContact CG-CD2 4.43Å; V209-L267 HydrophobicContact CG2-CD1 4.39Å; V209-L267 HydrophobicContact CG2-CD2 4.01Å; V209-L267 HydrophobicContact CG2-CG 4.14Å; E263-L267 WeakPolarHBondContact O-CB 3.45Å; E263-L267 PolarHBondContact O-N 2.95Å; V264-L267 PolarHBondContact O-N 3.1Å; D265-L267 VanDerWaalsContact C-N 3.34Å; D265-L267 PolarHBondContact O-N 3.36Å; L267-K270 PolarHBondContact O-N 3.11Å; L267-C271 PolarHBondContact O-N 2.94Å
268F98.8Very high98.5Very high1 Ų152.3 Ų52.30%0.00429%0.288CS..Hα-helixtrans-71.4-37.1-176-78.5-105000111.5L197 V209 I222 F224 V264 D265 K270 C271 L273 Y303L197-F268 HydrophobicContact CD1-CE2 4.19Å; L197-F268 HydrophobicContact CD1-CZ 4.3Å; V209-F268 HydrophobicContact CG1-CD1 4.22Å; V209-F268 HydrophobicContact CG1-CE1 4.32Å; V209-F268 HydrophobicContact CG2-CE2 4.4Å; V209-F268 HydrophobicContact CG2-CZ 4.25Å; I222-F268 HydrophobicContact CB-CE1 4.34Å; I222-F268 HydrophobicContact CG2-CE1 3.81Å; F224-F268 HydrophobicContact CB-CZ 4.05Å; F224-F268 HydrophobicContact CD2-CE2 4.16Å; F224-F268 AromaticContact CD2-CZ 3.88Å; F224-F268 HydrophobicContact CD2-CZ 3.88Å; F224-F268 HydrophobicContact CG-CE2 4.31Å; F224-F268 HydrophobicContact CG-CZ 4.07Å; V264-F268 HydrophobicContact CG1-CD2 3.93Å; V264-F268 HydrophobicContact CG1-CE2 3.94Å; V264-F268 VanDerWaalsContact O-CD2 3.26Å; V264-F268 WeakPolarHBondContact O-CD2 3.4Å; V264-F268 PolarHBondContact O-N 3.34Å; V264-F268 VanDerWaalsContact O-N 3.09Å; D265-F268 PolarHBondContact O-N 3.26Å; F268-K270 PolarHBondContact O-N 3.22Å; F268-C271 PolarHBondContact O-N 3.35Å; F268-C271 VanDerWaalsContact O-N 3.15Å; F268-L273 HydrophobicContact CB-CD1 4.27Å; F268-L273 HydrophobicContact CD1-CD1 3.56Å; F268-L273 HydrophobicContact CE1-CD1 4.39Å; F268-L273 HydrophobicContact CG-CD1 4.35Å; F268-L273 WeakPolarHBondContact O-CB 3.45Å; F268-L273 PolarHBondContact O-N 3.34Å; F268-Y303 HydrophobicContact CB-CD1 3.54Å; F268-Y303 HydrophobicContact CB-CD2 3.86Å; F268-Y303 HydrophobicContact CB-CE1 3.5Å; F268-Y303 HydrophobicContact CB-CE2 3.79Å; F268-Y303 HydrophobicContact CB-CG 3.74Å; F268-Y303 HydrophobicContact CD1-CD1 4.34Å; F268-Y303 AromaticContact CD1-CD2 3.32Å; F268-Y303 HydrophobicContact CD1-CD2 3.32Å; F268-Y303 AromaticContact CD1-CE2 3.81Å; F268-Y303 HydrophobicContact CD1-CE2 3.81Å; F268-Y303 AromaticContact CD1-CG 3.63Å; F268-Y303 HydrophobicContact CD1-CG 3.63Å; F268-Y303 HydrophobicContact CD2-CD2 4.23Å; F268-Y303 AromaticContact CD2-CE2 3.85Å; F268-Y303 HydrophobicContact CD2-CE2 3.85Å; F268-Y303 AromaticContact CE1-CD2 3.86Å; F268-Y303 HydrophobicContact CE1-CD2 3.86Å; F268-Y303 HydrophobicContact CE1-CE2 4.35Å; F268-Y303 HydrophobicContact CE1-CG 4.5Å; F268-Y303 HydrophobicContact CE2-CE2 4.36Å; F268-Y303 HydrophobicContact CG-CD1 4.19Å; F268-Y303 AromaticContact CG-CD2 3.54Å; F268-Y303 HydrophobicContact CG-CD2 3.54Å; F268-Y303 HydrophobicContact CG-CE1 4.22Å; F268-Y303 AromaticContact CG-CE2 3.54Å; F268-Y303 HydrophobicContact CG-CE2 3.54Å; F268-Y303 AromaticContact CG-CG 3.88Å; F268-Y303 HydrophobicContact CG-CG 3.88Å; F268-Y303 AromaticContact CG-CZ 3.92Å; F268-Y303 HydrophobicContact CZ-CD2 4.49Å
269A98.6Very high98.4Very high54 Ų5454.7 Ų54.745%0.44630%0.299SS..Hα-helixtrans-62.6-40.4173.600000112.2D265 C271 G272D265-A269 WeakPolarHBondContact O-CB 3.44Å; D265-A269 PolarHBondContact O-N 3.42Å; A269-C271 PolarHBondContact O-N 2.91Å; A269-G272 PolarHBondContact O-N 3.27Å
270K98.4Very high98.2Very high179 Ų17955.9 Ų55.978%0.77831%0.306SS*.Hα-helixtrans-60.3-29.5174.9-179.2-178.5176.1-175.40112.5A266 L267 F268 G272A266-K270 VanDerWaalsContact O-CB 3.22Å; A266-K270 WeakPolarHBondContact O-CB 3.39Å; A266-K270 PolarHBondContact O-N 3.38Å; L267-K270 PolarHBondContact O-N 3.11Å; F268-K270 PolarHBondContact O-N 3.22Å; K270-G272 PolarHBondContact O-N 3.39Å
271C98.3Very high98.1Very high26 Ų2653 Ų5318%0.17629%0.292CS..THydrogen-bonded Turntrans-85.513.3175.1-65.80000113.6V209 V213 L267 F268 A269V209-C271 HydrophobicContact CG1-CB 3.69Å; V213-C271 HydrophobicContact CG2-CB 4.32Å; L267-C271 PolarHBondContact O-N 2.94Å; F268-C271 PolarHBondContact O-N 3.35Å; F268-C271 VanDerWaalsContact O-N 3.15Å; A269-C271 PolarHBondContact O-N 2.91Å
272G98Very high97.9Very high54 Ų5456.9 Ų56.956%0.55730%0.304SS*.THydrogen-bonded Turntrans78.917.3174.600000114.6A269 K270A269-G272 PolarHBondContact O-N 3.27Å; K270-G272 PolarHBondContact O-N 3.39Å
273L98.7Very high97.7Very high11 Ų1152.8 Ų52.86%0.05828%0.283CS..EExtended strand (participates in β ladder)trans-96.1144-179.2-61.7166.7000112.1V209 V213 I222 F268 Y303 K305V209-L273 HydrophobicContact CG1-CD1 4.2Å; V213-L273 HydrophobicContact CG2-CD1 3.71Å; V213-L273 HydrophobicContact CG2-CD2 3.94Å; V213-L273 HydrophobicContact CG2-CG 3.91Å; I222-L273 HydrophobicContact CD1-CD1 3.68Å; I222-L273 HydrophobicContact CD1-CD2 4.41Å; F268-L273 HydrophobicContact CB-CD1 4.27Å; F268-L273 HydrophobicContact CD1-CD1 3.56Å; F268-L273 HydrophobicContact CE1-CD1 4.39Å; F268-L273 HydrophobicContact CG-CD1 4.35Å; F268-L273 WeakPolarHBondContact O-CB 3.45Å; F268-L273 PolarHBondContact O-N 3.34Å; L273-Y303 HydrophobicContact CB-CD1 4.38Å; L273-K305 HydrophobicContact CD2-CB 3.86Å; L273-K305 HydrophobicContact CD2-CG 4.4Å
274Q98.6Very high97.5Very high129 Ų12950.3 Ų50.360%0.60327%0.272SS*.EExtended strand (participates in β ladder)trans-89.8126.8173.8-177.2-178.2-7.200110.4V276 Y303 K304Q274-V276 PolarHBondContact O-N 2.95Å; Q274-Y303 CarbonylContact O-C 3.46Å; Q274-Y303 VanDerWaalsContact O-CA 3.31Å; Q274-Y303 WeakPolarHBondContact O-CA 3.33Å; Q274-K304 PolarHBondContact N-O 3.43Å; Q274-K304 PolarHBondContact O-N 3.47Å
275K98.7Very high97.3Very high93 Ų9353.2 Ų53.240%0.40429%0.285SS..EExtended strand (participates in β ladder)trans-64.8123.1170.7-179.9169.155.8-153.10110.6D265 L278 Y303D265-K275 VanDerWaalsContact OD1-CD 3.25Å; D265-K275 WeakPolarHBondContact OD1-CD 3.38Å; D265-K275 WeakPolarHBondContact OD1-CE 3.28Å; D265-K275 IonicContact OD1-NZ 2.95Å; D265-K275 PolarHBondContact OD1-NZ 2.8Å; D265-K275 IonicContact OD2-NZ 3.74Å; D265-K275 PolarHBondContact OD2-NZ 3.2Å; K275-L278 HydrophobicContact CD-CB 3.73Å; K275-L278 HydrophobicContact CG-CB 4.49Å; K275-Y303 HydrophobicContact CB-CD1 4.02Å; K275-Y303 HydrophobicContact CB-CE1 3.7Å; K275-Y303 HydrophobicContact CG-CE1 4.1Å
276V98Very high97Very high74 Ų7451.5 Ų51.545%0.44828%0.277SS..EExtended strand (participates in β ladder)trans-87.9-51.9168.4-179.60000109Q274 T302 K304Q274-V276 PolarHBondContact O-N 2.95Å; V276-T302 HydrophobicContact CB-CG2 3.88Å; V276-T302 WeakPolarHBondContact CB-O 3.32Å; V276-T302 HydrophobicContact CG1-CG2 4.37Å; V276-T302 HydrophobicContact CG2-CG2 3.95Å; V276-T302 PolarHBondContact N-O 3.36Å; V276-K304 HydrophobicContact CG2-CB 3.77Å
277F97.2Very high96.6Very high40 Ų4051.2 Ų51.218%0.17527%0.266CS..EExtended strand (participates in β ladder)trans-151.8159.9168.479.8-95.4000111F15 E97 H279 Q300 A301 T302F15-F277 HydrophobicContact CE1-CE2 4.41Å; F15-F277 HydrophobicContact CZ-CD2 4.23Å; F15-F277 AromaticContact CZ-CE2 3.72Å; F15-F277 HydrophobicContact CZ-CE2 3.72Å; F15-F277 HydrophobicContact CZ-CZ 4.33Å; E97-F277 WeakPolarHBondContact OE1-CE1 2.99Å; F277-H279 HydrophobicContact CD2-CB 4.42Å; F277-H279 HydrophobicContact CE2-CB 4.48Å; F277-Q300 HydrophobicContact CE2-CG 4.1Å; F277-Q300 HydrophobicContact CZ-CG 4.16Å; F277-A301 VanDerWaalsContact O-CA 3.29Å; F277-A301 WeakPolarHBondContact O-CA 3.29Å; F277-A301 WeakPolarHBondContact O-CB 3.45Å; F277-T302 WeakPolarHBondContact CE1-OG1 3.38Å; F277-T302 PolarHBondContact N-O 2.86Å; F277-T302 PolarHBondContact O-N 2.89Å
278L98Very high96Very high47 Ų4755.9 Ų55.925%0.24628%0.282CS..EExtended strand (participates in β ladder)trans-141.4130.8167.5-175.3156.3000108.3P261 V264 D265 K275 I299 Q300 A301 Y303P261-L278 HydrophobicContact CB-CD1 4.29Å; P261-L278 HydrophobicContact CB-CD2 3.35Å; P261-L278 HydrophobicContact CB-CG 4.47Å; P261-L278 VanDerWaalsContact O-CD1 3.32Å; P261-L278 WeakPolarHBondContact O-CD1 3.4Å; V264-L278 HydrophobicContact CB-CD1 4.36Å; V264-L278 HydrophobicContact CG1-CD1 4.41Å; D265-L278 HydrophobicContact CB-CD1 4.15Å; K275-L278 HydrophobicContact CD-CB 3.73Å; K275-L278 HydrophobicContact CG-CB 4.49Å; L278-I299 HydrophobicContact CD2-CG2 4.35Å; L278-I299 HydrophobicContact CG-CG2 4.31Å; L278-Q300 CarbonylContact C-O 3.57Å; L278-A301 HydrophobicContact CB-CB 4.23Å; L278-A301 HydrophobicContact CD1-CB 4.5Å; L278-A301 HydrophobicContact CG-CB 4.17Å; L278-Y303 WeakPolarHBondContact CD1-OH 3.13Å
279H96.5Very high95.5Very high51 Ų5163.7 Ų63.724%0.23632%0.322CS..EExtended strand (participates in β ladder)trans-133.4143.2179.2-173.961.6000111.9F15 N34 F277 Q300F15-H279 HydrophobicContact CD1-CB 4.46Å; F15-H279 AromaticContact CD1-CD2 3.22Å; F15-H279 WeakPolarHBondContact CD1-CD2 3.49Å; F15-H279 AromaticContact CD1-CG 3.99Å; F15-H279 AromaticContact CD1-NE2 3.85Å; F15-H279 HydrophobicContact CE1-CB 3.74Å; F15-H279 AromaticContact CE1-CD2 3.38Å; F15-H279 WeakPolarHBondContact CE1-CD2 3.38Å; F15-H279 AromaticContact CE1-CG 3.76Å; F15-H279 HydrophobicContact CE2-CB 4.25Å; F15-H279 AromaticContact CG-CD2 3.6Å; F15-H279 AromaticContact CG-NE2 3.8Å; F15-H279 HydrophobicContact CZ-CB 3.63Å; F15-H279 AromaticContact CZ-CD2 3.94Å; F15-H279 AromaticContact CZ-CG 3.87Å; N34-H279 PolarHBondContact OD1-CE1 3.07Å; N34-H279 PolarHBondContact OD1-NE2 3.4Å; F277-H279 HydrophobicContact CD2-CB 4.42Å; F277-H279 HydrophobicContact CE2-CB 4.48Å; H279-Q300 PolarHBondContact N-O 3.43Å; H279-Q300 PolarHBondContact O-N 2.92Å
280V96.3Very high95Very high26 Ų2668.1 Ų68.116%0.15833%0.332CS..EExtended strand (participates in β ladder)trans-101.2100.6171.3-174.80000108.6P261 R282 V297 W298 I299P261-V280 HydrophobicContact CB-CG2 3.86Å; P261-V280 HydrophobicContact CG-CG2 3.83Å; V280-R282 HydrophobicContact CG1-CG 4.16Å; V280-R282 PolarHBondContact O-N 2.88Å; V280-V297 HydrophobicContact CG1-CG1 3.78Å; V280-W298 CarbonylContact C-O 3.52Å; V280-W298 WeakPolarHBondContact CA-O 3.25Å; V280-I299 HydrophobicContact CB-CD1 4.31Å; V280-I299 HydrophobicContact CG1-CD1 4.04Å; V280-I299 HydrophobicContact CG2-CD1 3.76Å
281D94.5Very high94.5Very high0 Ų065.1 Ų65.10%032%0.323CS..EExtended strand (participates in β ladder)trans-77.5101.7177.4179.913.4000109.7R225 R283 V297 W298R225-D281 IonicContact CZ-OD2 2.65Å; R225-D281 IonicContact NH1-OD2 3.23Å; R225-D281 IonicContact NH2-OD2 2.87Å; R225-D281 PolarHBondContact NH2-OD2 3.4Å; D281-R283 VanDerWaalsContact CG-NH2 3.32Å; D281-R283 IonicContact OD1-CZ 2.8Å; D281-R283 IonicContact OD1-NE 3.91Å; D281-R283 PolarHBondContact OD1-NE 3.42Å; D281-R283 IonicContact OD1-NH2 3.79Å; D281-R283 PolarHBondContact OD1-NH2 3.27Å; D281-R283 IonicContact OD2-CZ 3.72Å; D281-R283 IonicContact OD2-NE 3.57Å; D281-R283 IonicContact OD2-NH2 3.95Å; D281-R283 PolarHBondContact OD2-NH2 3.01Å; D281-V297 WeakPolarHBondContact O-CA 3.25Å; D281-W298 HydrophobicContact CB-CB 4.35Å; D281-W298 HydrophobicContact CB-CE3 4.37Å; D281-W298 PolarHBondContact N-O 3.48Å; D281-W298 PolarHBondContact O-N 2.95Å
282R94.6Very high94.1Very high103 Ų10367.6 Ų67.639%0.38933%0.334SS..EExtended strand (participates in β ladder)trans-96104172.7-64.4-174179.993.6-0.1109.6N34 V35 V280 R296N34-R282 CarbonylContact C-O 3.54Å; N34-R282 VanDerWaalsContact CA-O 3.28Å; N34-R282 WeakPolarHBondContact CA-O 3.4Å; N34-R282 PolarHBondContact N-O 3.36Å; V35-R282 PolarHBondContact N-O 3.31Å; V35-R282 VanDerWaalsContact O-CB 3.32Å; V35-R282 WeakPolarHBondContact O-CB 3.26Å; V35-R282 WeakPolarHBondContact O-CD 3.33Å; V280-R282 HydrophobicContact CG1-CG 4.16Å; V280-R282 PolarHBondContact O-N 2.88Å; R282-R296 CarbonylContact C-O 3.54Å; R282-R296 WeakPolarHBondContact CA-O 3.18Å
283R94.4Very high93.8Very high34 Ų3469.6 Ų69.613%0.12833%0.325CS..EExtended strand (participates in β ladder)trans-112.2120.6-176.6-162.7149.3-58.9-174.64.2111.5A31 W32 D33 E94 D281 Q285 R296 W298A31-R283 HydrophobicContact CB-CG 4.3Å; W32-R283 WeakPolarHBondContact O-CA 3.46Å; W32-R283 WeakPolarHBondContact O-CG 3.46Å; D33-R283 IonicContact OD1-CZ 3.99Å; D33-R283 IonicContact OD1-NE 3.4Å; D33-R283 PolarHBondContact OD1-NE 2.86Å; D33-R283 IonicContact OD1-NH1 3.66Å; D33-R283 IonicContact OD1-NH2 3.72Å; E94-R283 IonicContact OE1-NH2 3.43Å; D281-R283 VanDerWaalsContact CG-NH2 3.32Å; D281-R283 IonicContact OD1-CZ 2.8Å; D281-R283 IonicContact OD1-NE 3.91Å; D281-R283 PolarHBondContact OD1-NE 3.42Å; D281-R283 IonicContact OD1-NH2 3.79Å; D281-R283 PolarHBondContact OD1-NH2 3.27Å; D281-R283 IonicContact OD2-CZ 3.72Å; D281-R283 IonicContact OD2-NE 3.57Å; D281-R283 IonicContact OD2-NH2 3.95Å; D281-R283 PolarHBondContact OD2-NH2 3.01Å; R283-Q285 HydrophobicContact CG-CG 4.32Å; R283-Q285 PolarHBondContact O-N 2.89Å; R283-R296 HydrophobicContact CB-CB 4.33Å; R283-R296 PolarHBondContact N-O 3.43Å; R283-R296 PolarHBondContact O-N 3.32Å; R283-W298 HydrophobicContact CB-CE3 4.45Å; R283-W298 HydrophobicContact CB-CH2 4.46Å; R283-W298 HydrophobicContact CB-CZ3 3.66Å; R283-W298 HydrophobicContact CG-CZ3 4.39Å
284L94.4Very high93.6Very high0 Ų071.1 Ų71.10%033%0.333CS..EExtended strand (participates in β ladder)trans-86.6111.4167.517155.3000108.5L20 I26 A31 W32 V35 V286 R293 Y295L20-L284 HydrophobicContact CD2-CD2 4.12Å; I26-L284 HydrophobicContact CG1-CD2 4.28Å; I26-L284 HydrophobicContact CG2-CD2 4.14Å; A31-L284 CarbonylContact C-O 3.59Å; A31-L284 WeakPolarHBondContact CA-O 3.14Å; W32-L284 HydrophobicContact CB-CB 4.3Å; W32-L284 PolarHBondContact N-O 3.44Å; W32-L284 PolarHBondContact O-N 2.9Å; V35-L284 HydrophobicContact CB-CB 4.37Å; V35-L284 HydrophobicContact CG2-CB 3.72Å; L284-V286 HydrophobicContact CD1-CG1 4.15Å; L284-V286 HydrophobicContact CD2-CG1 4.48Å; L284-V286 HydrophobicContact CG-CG1 4.07Å; L284-R293 HydrophobicContact CD1-CB 3.85Å; L284-R293 HydrophobicContact CD1-CG 4.41Å; L284-Y295 HydrophobicContact CB-CD1 4.22Å; L284-Y295 HydrophobicContact CB-CE1 4.09Å; L284-Y295 HydrophobicContact CD1-CD1 3.99Å; L284-Y295 HydrophobicContact CD1-CD2 4.36Å; L284-Y295 HydrophobicContact CD1-CE1 3.64Å; L284-Y295 HydrophobicContact CD1-CE2 4.04Å; L284-Y295 HydrophobicContact CD1-CG 4.32Å; L284-Y295 HydrophobicContact CD2-CE1 3.99Å; L284-Y295 HydrophobicContact CG-CE1 4.1Å
285Q94.1Very high93.4Very high60 Ų6066.6 Ų66.628%0.2831%0.31SS..EExtended strand (participates in β ladder)trans-95.9141.1169.1-60.1178.6-39.600109.4A31 R283 M294 R296A31-Q285 HydrophobicContact CB-CG 4.38Å; R283-Q285 HydrophobicContact CG-CG 4.32Å; R283-Q285 PolarHBondContact O-N 2.89Å; Q285-M294 HydrophobicContact CB-CB 4.1Å; Q285-M294 HydrophobicContact CB-CE 4.01Å; Q285-M294 PolarHBondContact N-O 2.84Å; Q285-M294 WeakPolarHBondContact O-CB 3.17Å; Q285-M294 PolarHBondContact O-N 3.04Å; Q285-R296 HydrophobicContact CG-CG 4.15Å
286V92.5Very high93.3Very high13 Ų1364.3 Ų64.38%0.07930%0.299CS..EExtended strand (participates in β ladder)trans-122.7134.8178.8-59.30000112I26 F27 H29 N30 L284 R288 L292I26-V286 HydrophobicContact CG2-CG1 3.69Å; F27-V286 HydrophobicContact CD1-CB 4.11Å; F27-V286 HydrophobicContact CD1-CG1 4.46Å; F27-V286 HydrophobicContact CD1-CG2 4.36Å; F27-V286 HydrophobicContact CE1-CB 4.26Å; F27-V286 HydrophobicContact CE1-CG1 4.47Å; H29-V286 WeakPolarHBondContact O-CG2 3.48Å; N30-V286 PolarHBondContact O-N 2.85Å; L284-V286 HydrophobicContact CD1-CG1 4.15Å; L284-V286 HydrophobicContact CD2-CG1 4.48Å; L284-V286 HydrophobicContact CG-CG1 4.07Å; V286-R288 HydrophobicContact CG2-CG 4.2Å; V286-L292 CarbonylContact C-O 3.46Å; V286-L292 WeakPolarHBondContact CA-O 3.4Å
287N90.7Very high93.3Very high56 Ų5661 Ų6130%0.29928%0.279SS..EExtended strand (participates in β ladder)trans-97.1104.2162.7-174.6-48.1000107.7I289 K290 L291 L292N287-I289 VanDerWaalsContact C-N 3.32Å; N287-I289 PolarHBondContact O-N 3.07Å; N287-I289 PolarHBondContact OD1-N 2.95Å; N287-I289 VanDerWaalsContact OD1-N 3.14Å; N287-K290 PolarHBondContact O-N 3.36Å; N287-K290 PolarHBondContact OD1-N 3.45Å; N287-L291 CarbonylContact O-C 3.57Å; N287-L291 VanDerWaalsContact O-CA 3.29Å; N287-L291 WeakPolarHBondContact O-CA 3.4Å; N287-L291 PolarHBondContact O-N 2.98Å; N287-L292 HydrophobicContact CB-CB 4.12Å; N287-L292 PolarHBondContact N-O 2.79Å; N287-L292 PolarHBondContact O-N 3.11Å
288R86.4Confident93.4Very high123 Ų12360.1 Ų60.146%0.46428%0.275SS..THydrogen-bonded Turntrans-67.4-31.3-175.3-55.9-176.9-163.9-170.94.7113.1F27 L28 H29 N30 V286 L291F27-R288 HydrophobicContact CD1-CG 4.39Å; F27-R288 WeakPolarHBondContact O-CD 3.28Å; F27-R288 VanDerWaalsContact O-CZ 3.3Å; F27-R288 PolarHBondContact O-NE 2.84Å; F27-R288 PolarHBondContact O-NH1 3.48Å; L28-R288 VanDerWaalsContact O-CZ 3.3Å; L28-R288 PolarHBondContact O-NH1 2.88Å; L28-R288 PolarHBondContact O-NH2 3.48Å; H29-R288 PolarHBondContact O-NH2 2.78Å; N30-R288 VanDerWaalsContact N-NH2 3.11Å; V286-R288 HydrophobicContact CG2-CG 4.2Å; R288-L291 WeakPolarHBondContact O-CD2 2.94Å
289I87.8Confident93.4Very high164 Ų16458 Ų5884%0.84126%0.263SS*.THydrogen-bonded Turntrans-70.2-44.8-179.5-59.6174.9000110.3N287N287-I289 VanDerWaalsContact C-N 3.32Å; N287-I289 PolarHBondContact O-N 3.07Å; N287-I289 PolarHBondContact OD1-N 2.95Å; N287-I289 VanDerWaalsContact OD1-N 3.14Å
290K89.7Confident93.5Very high148 Ų14855.5 Ų55.564%0.64325%0.252SS*.THydrogen-bonded Turntrans-92.31.7-178.6-61.5-172.6176.3-174.60113.4N287 L292N287-K290 PolarHBondContact O-N 3.36Å; N287-K290 PolarHBondContact OD1-N 3.45Å; K290-L292 HydrophobicContact CB-CD1 3.76Å; K290-L292 HydrophobicContact CB-CG 3.65Å; K290-L292 HydrophobicContact CD-CD1 3.97Å; K290-L292 PolarHBondContact O-N 3.41Å; K290-L292 VanDerWaalsContact O-N 3.13Å
291L87.5Confident93.6Very high115 Ų11554.3 Ų54.360%0.60224%0.244SC*.THydrogen-bonded Turntrans48.635-171.4-59.6175000113.4F27 N287 R288F27-L291 HydrophobicContact CD1-CD2 4.22Å; F27-L291 HydrophobicContact CD2-CD2 4.46Å; F27-L291 HydrophobicContact CE1-CB 4.32Å; F27-L291 HydrophobicContact CE1-CD2 3.91Å; F27-L291 HydrophobicContact CE2-CD2 4.15Å; F27-L291 HydrophobicContact CG-CD2 4.47Å; F27-L291 HydrophobicContact CZ-CB 4.08Å; F27-L291 HydrophobicContact CZ-CD2 3.86Å; N287-L291 CarbonylContact O-C 3.57Å; N287-L291 VanDerWaalsContact O-CA 3.29Å; N287-L291 WeakPolarHBondContact O-CA 3.4Å; N287-L291 PolarHBondContact O-N 2.98Å; R288-L291 WeakPolarHBondContact O-CD2 2.94Å
292L90.3Very high93.8Very high78 Ų7854.3 Ų54.341%0.40824%0.244SC..EExtended strand (participates in β ladder)trans-90.9132.9-178-61.4173.7000110.9V286 N287 K290V286-L292 CarbonylContact C-O 3.46Å; V286-L292 WeakPolarHBondContact CA-O 3.4Å; N287-L292 HydrophobicContact CB-CB 4.12Å; N287-L292 PolarHBondContact N-O 2.79Å; N287-L292 PolarHBondContact O-N 3.11Å; K290-L292 HydrophobicContact CB-CD1 3.76Å; K290-L292 HydrophobicContact CB-CG 3.65Å; K290-L292 HydrophobicContact CD-CD1 3.97Å; K290-L292 PolarHBondContact O-N 3.41Å; K290-L292 VanDerWaalsContact O-N 3.13Å
293R91.3Very high94Very high96 Ų9649.4 Ų49.436%0.36223%0.226SC..EExtended strand (participates in β ladder)trans-99.1131.2170.3-60.6176-173.9-178.8-2.1109I26 L284 Y295I26-R293 VanDerWaalsContact CD1-CZ 3.47Å; I26-R293 HydrophobicContact CG2-CG 4.34Å; L284-R293 HydrophobicContact CD1-CB 3.85Å; L284-R293 HydrophobicContact CD1-CG 4.41Å; R293-Y295 HydrophobicContact CB-CE2 3.82Å
294M94.4Very high94.2Very high44 Ų4451.6 Ų51.622%0.21724%0.237CC..EExtended strand (participates in β ladder)trans-129.698.1-176.8-64.9-179.1-70.200109.1M232 Q285 R296M232-M294 HydrophobicContact CE-CB 4.28Å; M232-M294 HydrophobicContact CE-CG 4.29Å; M232-M294 HydrophobicContact CE-SD 4.34Å; M232-M294 HydrophobicContact SD-CB 3.46Å; M232-M294 WeakPolarHBondContact SD-CB 3.48Å; M232-M294 HydrophobicContact SD-CG 3.48Å; M232-M294 WeakPolarHBondContact SD-CG 3.48Å; M232-M294 HydrophobicContact SD-SD 4.25Å; Q285-M294 HydrophobicContact CB-CB 4.1Å; Q285-M294 HydrophobicContact CB-CE 4.01Å; Q285-M294 PolarHBondContact N-O 2.84Å; Q285-M294 WeakPolarHBondContact O-CB 3.17Å; Q285-M294 PolarHBondContact O-N 3.04Å; M294-R296 PolarHBondContact O-N 3.38Å
295Y94.8Very high94.4Very high33 Ų3353.1 Ų53.113%0.12924%0.243CC..EExtended strand (participates in β ladder)trans-83.6107.4-179.7-63.8-86000110.1V35 R41 M232 L284 R293V35-Y295 HydrophobicContact CG1-CE1 4.32Å; R41-Y295 PolarHBondContact NH1-OH 3.03Å; R41-Y295 PolarHBondContact NH2-OH 2.61Å; M232-Y295 WeakPolarHBondContact CB-O 3.1Å; M232-Y295 PolarHBondContact N-O 2.94Å; L284-Y295 HydrophobicContact CB-CD1 4.22Å; L284-Y295 HydrophobicContact CB-CE1 4.09Å; L284-Y295 HydrophobicContact CD1-CD1 3.99Å; L284-Y295 HydrophobicContact CD1-CD2 4.36Å; L284-Y295 HydrophobicContact CD1-CE1 3.64Å; L284-Y295 HydrophobicContact CD1-CE2 4.04Å; L284-Y295 HydrophobicContact CD1-CG 4.32Å; L284-Y295 HydrophobicContact CD2-CE1 3.99Å; L284-Y295 HydrophobicContact CG-CE1 4.1Å; R293-Y295 HydrophobicContact CB-CE2 3.82Å
296R96.8Very high94.3Very high45 Ų4555.8 Ų55.817%0.1728%0.275CS..EExtended strand (participates in β ladder)trans-97142.5178.3-52.3-52.7-56.4-931.9110.2D231 R282 R283 Q285 M294 W298D231-R296 WeakPolarHBondContact OD1-CA 3.25Å; D231-R296 IonicContact OD1-CZ 2.72Å; D231-R296 IonicContact OD1-NE 3.56Å; D231-R296 PolarHBondContact OD1-NE 2.7Å; D231-R296 IonicContact OD1-NH2 3.25Å; D231-R296 IonicContact OD2-CZ 3.83Å; D231-R296 IonicContact OD2-NE 3.86Å; D231-R296 IonicContact OD2-NH2 2.95Å; D231-R296 PolarHBondContact OD2-NH2 3.07Å; R282-R296 CarbonylContact C-O 3.54Å; R282-R296 WeakPolarHBondContact CA-O 3.18Å; R283-R296 HydrophobicContact CB-CB 4.33Å; R283-R296 PolarHBondContact N-O 3.43Å; R283-R296 PolarHBondContact O-N 3.32Å; Q285-R296 HydrophobicContact CG-CG 4.15Å; M294-R296 PolarHBondContact O-N 3.38Å; R296-W298 HydrophobicContact CB-CD2 4.45Å; R296-W298 HydrophobicContact CB-CE3 4.15Å; R296-W298 HydrophobicContact CB-CH2 3.35Å; R296-W298 HydrophobicContact CB-CZ2 3.65Å; R296-W298 HydrophobicContact CB-CZ3 3.62Å; R296-W298 HydrophobicContact CG-CH2 3.7Å; R296-W298 HydrophobicContact CG-CZ2 3.99Å; R296-W298 HydrophobicContact CG-CZ3 4.39Å
297V97.9Very high94.4Very high5 Ų557.9 Ų57.93%0.0329%0.285CS..EExtended strand (participates in β ladder)trans-130.7124.3175.9-169.50000108.3W37 G228 D231 V280 D281W37-V297 HydrophobicContact CH2-CG2 4.29Å; W37-V297 HydrophobicContact CZ2-CG2 3.86Å; G228-V297 PolarHBondContact N-O 3.01Å; D231-V297 HydrophobicContact CB-CB 4.14Å; D231-V297 PolarHBondContact OD1-N 3.13Å; V280-V297 HydrophobicContact CG1-CG1 3.78Å; D281-V297 WeakPolarHBondContact O-CA 3.25Å
298W97.9Very high94.6Very high22 Ų2258 Ų588%0.08328%0.284CS..EExtended strand (participates in β ladder)trans-128148.7172.3-59.6-68.3000110.2F195 D226 V280 D281 R283 R296F195-W298 AromaticContact CE1-CD1 3.52Å; F195-W298 AromaticContact CE1-NE1 3.66Å; F195-W298 AromaticContact CZ-CD1 3.85Å; F195-W298 AromaticContact CZ-NE1 3.73Å; D226-W298 CarbonylContact O-C 3.5Å; D226-W298 VanDerWaalsContact O-CA 3.25Å; D226-W298 WeakPolarHBondContact O-CA 3.35Å; D226-W298 WeakPolarHBondContact O-CB 3.41Å; V280-W298 CarbonylContact C-O 3.52Å; V280-W298 WeakPolarHBondContact CA-O 3.25Å; D281-W298 HydrophobicContact CB-CB 4.35Å; D281-W298 HydrophobicContact CB-CE3 4.37Å; D281-W298 PolarHBondContact N-O 3.48Å; D281-W298 PolarHBondContact O-N 2.95Å; R283-W298 HydrophobicContact CB-CE3 4.45Å; R283-W298 HydrophobicContact CB-CH2 4.46Å; R283-W298 HydrophobicContact CB-CZ3 3.66Å; R283-W298 HydrophobicContact CG-CZ3 4.39Å; R296-W298 HydrophobicContact CB-CD2 4.45Å; R296-W298 HydrophobicContact CB-CE3 4.15Å; R296-W298 HydrophobicContact CB-CH2 3.35Å; R296-W298 HydrophobicContact CB-CZ2 3.65Å; R296-W298 HydrophobicContact CB-CZ3 3.62Å; R296-W298 HydrophobicContact CG-CH2 3.7Å; R296-W298 HydrophobicContact CG-CZ2 3.99Å; R296-W298 HydrophobicContact CG-CZ3 4.39Å
299I98.5Very high95Very high1 Ų154.4 Ų54.41%0.00527%0.274CS..EExtended strand (participates in β ladder)trans-100.7128.1166.8-49-59.7000106.8F224 R225 D226 F259 P261 V264 L278 V280F224-I299 HydrophobicContact CE1-CB 4.15Å; F224-I299 HydrophobicContact CE1-CG2 4.18Å; R225-I299 VanDerWaalsContact CA-O 3.26Å; R225-I299 WeakPolarHBondContact CA-O 3.25Å; D226-I299 PolarHBondContact N-O 3.43Å; D226-I299 PolarHBondContact O-N 3.14Å; F259-I299 HydrophobicContact CB-CG1 4.03Å; P261-I299 HydrophobicContact CB-CD1 4.31Å; V264-I299 HydrophobicContact CB-CG2 4.43Å; V264-I299 HydrophobicContact CG2-CG2 4.1Å; L278-I299 HydrophobicContact CD2-CG2 4.35Å; L278-I299 HydrophobicContact CG-CG2 4.31Å; V280-I299 HydrophobicContact CB-CD1 4.31Å; V280-I299 HydrophobicContact CG1-CD1 4.04Å; V280-I299 HydrophobicContact CG2-CD1 3.76Å
300Q98.1Very high95.4Very high0 Ų047.9 Ų47.90%024%0.241CC..EExtended strand (participates in β ladder)trans-123.9130.9175-173.7167.9-62.600109F15 E94 F95 F224 F277 L278 H279F15-Q300 HydrophobicContact CE1-CB 4.47Å; F15-Q300 HydrophobicContact CE1-CG 4.48Å; E94-Q300 PolarHBondContact O-NE2 3.27Å; E94-Q300 PolarHBondContact OE2-NE2 3.17Å; E94-Q300 PolarHBondContact OE2-OE1 2.87Å; F95-Q300 HydrophobicContact CE1-CG 3.71Å; F95-Q300 HydrophobicContact CZ-CG 3.85Å; F224-Q300 CarbonylContact O-C 3.51Å; F224-Q300 WeakPolarHBondContact O-CA 3.32Å; F277-Q300 HydrophobicContact CE2-CG 4.1Å; F277-Q300 HydrophobicContact CZ-CG 4.16Å; L278-Q300 CarbonylContact C-O 3.57Å; H279-Q300 PolarHBondContact N-O 3.43Å; H279-Q300 PolarHBondContact O-N 2.92Å
301A98.7Very high95.8Very high0 Ų041.7 Ų41.70%022%0.216CC..EExtended strand (participates in β ladder)trans-149.3151.2-177.400000111.6F224 F277 L278 Y303F224-A301 HydrophobicContact CD1-CB 4.34Å; F224-A301 PolarHBondContact N-O 2.83Å; F224-A301 PolarHBondContact O-N 3.38Å; F277-A301 VanDerWaalsContact O-CA 3.29Å; F277-A301 WeakPolarHBondContact O-CA 3.29Å; F277-A301 WeakPolarHBondContact O-CB 3.45Å; L278-A301 HydrophobicContact CB-CB 4.23Å; L278-A301 HydrophobicContact CD1-CB 4.5Å; L278-A301 HydrophobicContact CG-CB 4.17Å; A301-Y303 HydrophobicContact CB-CD2 4.12Å; A301-Y303 HydrophobicContact CB-CE2 3.42Å; A301-Y303 VanDerWaalsContact CB-CE2 3.42Å
302T98.7Very high96.3Very high0 Ų036.8 Ų36.80%019%0.19CC..EExtended strand (participates in β ladder)trans-119.6130.2167.7-66.80000108.3E97 M221 I222 L223 V276 F277E97-T302 WeakPolarHBondContact OE1-CB 3.4Å; E97-T302 WeakPolarHBondContact OE1-CG2 3.25Å; E97-T302 PolarHBondContact OE1-OG1 2.87Å; M221-T302 HydrophobicContact CB-CG2 4.31Å; M221-T302 HydrophobicContact CG-CG2 4.35Å; M221-T302 HydrophobicContact SD-CG2 3.98Å; I222-T302 WeakPolarHBondContact O-CA 3.32Å; L223-T302 HydrophobicContact CD2-CG2 3.59Å; L223-T302 WeakPolarHBondContact CD2-OG1 3.12Å; V276-T302 HydrophobicContact CB-CG2 3.88Å; V276-T302 WeakPolarHBondContact CB-O 3.32Å; V276-T302 HydrophobicContact CG1-CG2 4.37Å; V276-T302 HydrophobicContact CG2-CG2 3.95Å; V276-T302 PolarHBondContact N-O 3.36Å; F277-T302 WeakPolarHBondContact CE1-OG1 3.38Å; F277-T302 PolarHBondContact N-O 2.86Å; F277-T302 PolarHBondContact O-N 2.89Å
303Y98.8Very high96.8Very high0 Ų033.9 Ų33.90%017%0.174CC..EExtended strand (participates in β ladder)trans-121.4145.6174-67.1-88.6000110.1M221 I222 V264 D265 F268 L273 Q274 K275 L278 A301M221-Y303 CarbonylContact C-O 3.49Å; M221-Y303 VanDerWaalsContact CA-O 3.25Å; M221-Y303 WeakPolarHBondContact CA-O 3.4Å; I222-Y303 PolarHBondContact N-O 3.24Å; I222-Y303 PolarHBondContact O-N 3.47Å; V264-Y303 HydrophobicContact CG1-CE2 4.17Å; D265-Y303 VanDerWaalsContact CA-OH 3.24Å; D265-Y303 WeakPolarHBondContact CA-OH 3.36Å; D265-Y303 PolarHBondContact N-OH 3Å; F268-Y303 HydrophobicContact CB-CD1 3.54Å; F268-Y303 HydrophobicContact CB-CD2 3.86Å; F268-Y303 HydrophobicContact CB-CE1 3.5Å; F268-Y303 HydrophobicContact CB-CE2 3.79Å; F268-Y303 HydrophobicContact CB-CG 3.74Å; F268-Y303 HydrophobicContact CD1-CD1 4.34Å; F268-Y303 AromaticContact CD1-CD2 3.32Å; F268-Y303 HydrophobicContact CD1-CD2 3.32Å; F268-Y303 AromaticContact CD1-CE2 3.81Å; F268-Y303 HydrophobicContact CD1-CE2 3.81Å; F268-Y303 AromaticContact CD1-CG 3.63Å; F268-Y303 HydrophobicContact CD1-CG 3.63Å; F268-Y303 HydrophobicContact CD2-CD2 4.23Å; F268-Y303 AromaticContact CD2-CE2 3.85Å; F268-Y303 HydrophobicContact CD2-CE2 3.85Å; F268-Y303 AromaticContact CE1-CD2 3.86Å; F268-Y303 HydrophobicContact CE1-CD2 3.86Å; F268-Y303 HydrophobicContact CE1-CE2 4.35Å; F268-Y303 HydrophobicContact CE1-CG 4.5Å; F268-Y303 HydrophobicContact CE2-CE2 4.36Å; F268-Y303 HydrophobicContact CG-CD1 4.19Å; F268-Y303 AromaticContact CG-CD2 3.54Å; F268-Y303 HydrophobicContact CG-CD2 3.54Å; F268-Y303 HydrophobicContact CG-CE1 4.22Å; F268-Y303 AromaticContact CG-CE2 3.54Å; F268-Y303 HydrophobicContact CG-CE2 3.54Å; F268-Y303 AromaticContact CG-CG 3.88Å; F268-Y303 HydrophobicContact CG-CG 3.88Å; F268-Y303 AromaticContact CG-CZ 3.92Å; F268-Y303 HydrophobicContact CZ-CD2 4.49Å; L273-Y303 HydrophobicContact CB-CD1 4.38Å; Q274-Y303 CarbonylContact O-C 3.46Å; Q274-Y303 VanDerWaalsContact O-CA 3.31Å; Q274-Y303 WeakPolarHBondContact O-CA 3.33Å; K275-Y303 HydrophobicContact CB-CD1 4.02Å; K275-Y303 HydrophobicContact CB-CE1 3.7Å; K275-Y303 HydrophobicContact CG-CE1 4.1Å; L278-Y303 WeakPolarHBondContact CD1-OH 3.13Å; A301-Y303 HydrophobicContact CB-CD2 4.12Å; A301-Y303 HydrophobicContact CB-CE2 3.42Å; A301-Y303 VanDerWaalsContact CB-CE2 3.42Å
304K98.7Very high97.2Very high81 Ų8129.1 Ų29.135%0.35216%0.16SC..EExtended strand (participates in β ladder)trans-117135.9-179.1-174.6177.9176.9-178.70109.9G219 G220 M221 Q274 V276G219-K304 VanDerWaalsContact CA-CE 3.4Å; G219-K304 VanDerWaalsContact O-CE 3.28Å; G219-K304 WeakPolarHBondContact O-CE 3.49Å; G220-K304 WeakPolarHBondContact O-CA 3.15Å; M221-K304 HydrophobicContact CE-CD 4.33Å; M221-K304 HydrophobicContact CG-CB 4.41Å; M221-K304 HydrophobicContact CG-CG 4.39Å; Q274-K304 PolarHBondContact N-O 3.43Å; Q274-K304 PolarHBondContact O-N 3.47Å; V276-K304 HydrophobicContact CG2-CB 3.77Å
305K98.5Very high97.4Very high32 Ų3227.8 Ų27.814%0.13916%0.155CC..EExtended strand (participates in β ladder)trans-75.2131170.1-171.9175.2175.1177.60109.3N186 V213 V216 G219 G220 L273N186-K305 PolarHBondContact OD1-NZ 3.29Å; V213-K305 HydrophobicContact CG1-CD 4.23Å; V213-K305 PolarHBondContact O-NZ 3.1Å; V216-K305 HydrophobicContact CB-CD 4.36Å; V216-K305 HydrophobicContact CG1-CB 4.15Å; V216-K305 HydrophobicContact CG1-CD 4.35Å; V216-K305 WeakPolarHBondContact O-CD 3.4Å; V216-K305 WeakPolarHBondContact O-CE 3.45Å; V216-K305 PolarHBondContact O-NZ 2.98Å; G219-K305 VanDerWaalsContact CA-O 3.27Å; G219-K305 WeakPolarHBondContact CA-O 3.26Å; G219-K305 PolarHBondContact N-O 3.24Å; G220-K305 PolarHBondContact O-N 3.38Å; L273-K305 HydrophobicContact CD2-CB 3.86Å; L273-K305 HydrophobicContact CD2-CG 4.4Å
306A91.7Very high97.7Very high115 Ų11527.4 Ų27.495%0.9516%0.157SC*.  trans-58.70176.500000111.8

Retrieved 306 of 306 residues in 95 ms (Link to these results)

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