A0A068J625_ARATH Loading...

ceramide glucosyltransferase

AlphaFold DB (F4ITI0), UniProt , Accession A0A068J625, Species ARATH (Arabidopsis thaliana, Mouse-ear cress), Gene GCS, Length 520 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
1M52.2Low79.9Confident196 Ų19674.3 Ų74.397%0.96642%0.421SS*.  0128.10-81.3171.1112.300107.7D5M1-D5 HydrophobicContact CB-CB 4.3Å; M1-D5 HydrophobicContact CE-CB 4.44Å; M1-D5 HydrophobicContact CG-CB 4.42Å
2S71.3Confident80.7Confident57 Ų5769.1 Ų69.140%0.39939%0.39SS..  trans-66.6156.5169.2710000109.2L4 D5 S6S2-L4 PolarHBondContact O-N 3.15Å; S2-L4 VanDerWaalsContact O-N 3.15Å; S2-D5 WeakPolarHBondContact CB-OD2 3.38Å; S2-D5 PolarHBondContact N-OD2 3.04Å; S2-D5 PolarHBondContact O-N 2.89Å; S2-D5 PolarHBondContact OG-N 3.1Å; S2-D5 PolarHBondContact OG-OD1 3Å; S2-D5 PolarHBondContact OG-OD2 2.91Å; S2-S6 PolarHBondContact O-N 2.94Å
3T76Confident81.5Confident113 Ų11368.4 Ų68.469%0.69339%0.393SS*.Hα-helixtrans-55.1-30174.244.30000112.4S6 I7T3-S6 PolarHBondContact O-OG 3.03Å; T3-I7 WeakPolarHBondContact O-CG1 3.37Å; T3-I7 PolarHBondContact O-N 3.04Å
4L75.4Confident82.3Confident79 Ų7968.6 Ų68.641%0.41439%0.392SS..Hα-helixtrans-68.1-40.3175-70170.3000112.3S2 S6 I7 D8S2-L4 PolarHBondContact O-N 3.15Å; S2-L4 VanDerWaalsContact O-N 3.15Å; L4-S6 VanDerWaalsContact C-N 3.28Å; L4-S6 PolarHBondContact O-N 3.37Å; L4-I7 PolarHBondContact O-N 3.02Å; L4-I7 VanDerWaalsContact O-N 3.15Å; L4-D8 PolarHBondContact O-N 3.05Å
5D78Confident83Confident55 Ų5564.3 Ų64.329%0.29437%0.367SS..Hα-helixtrans-63.8-35.7178.1-55.7-43.4000111.5M1 S2 A9M1-D5 HydrophobicContact CB-CB 4.3Å; M1-D5 HydrophobicContact CE-CB 4.44Å; M1-D5 HydrophobicContact CG-CB 4.42Å; S2-D5 WeakPolarHBondContact CB-OD2 3.38Å; S2-D5 PolarHBondContact N-OD2 3.04Å; S2-D5 PolarHBondContact O-N 2.89Å; S2-D5 PolarHBondContact OG-N 3.1Å; S2-D5 PolarHBondContact OG-OD1 3Å; S2-D5 PolarHBondContact OG-OD2 2.91Å; D5-A9 WeakPolarHBondContact O-CB 3.5Å; D5-A9 PolarHBondContact O-N 3.42Å
6S83.5Confident83.5Confident53 Ų5365.6 Ų65.637%0.37136%0.364SS..Hα-helixtrans-67.6-36.3174.850.60000113.1S2 T3 L4 I10S2-S6 PolarHBondContact O-N 2.94Å; T3-S6 PolarHBondContact O-OG 3.03Å; L4-S6 VanDerWaalsContact C-N 3.28Å; L4-S6 PolarHBondContact O-N 3.37Å; S6-I10 WeakPolarHBondContact O-CG1 3.37Å; S6-I10 PolarHBondContact O-N 3.19Å
7I87Confident84.1Confident91 Ų9164.6 Ų64.647%0.46737%0.367SS..Hα-helixtrans-69.1-43.9177.2-68.9167000110T3 L4 A9 I10 L11T3-I7 WeakPolarHBondContact O-CG1 3.37Å; T3-I7 PolarHBondContact O-N 3.04Å; L4-I7 PolarHBondContact O-N 3.02Å; L4-I7 VanDerWaalsContact O-N 3.15Å; I7-A9 VanDerWaalsContact C-N 3.33Å; I7-A9 PolarHBondContact O-N 2.87Å; I7-I10 PolarHBondContact O-N 3.3Å; I7-L11 VanDerWaalsContact O-CB 3.32Å; I7-L11 WeakPolarHBondContact O-CB 3.32Å; I7-L11 PolarHBondContact O-N 2.68Å
8D87.1Confident84.7Confident2 Ų263.5 Ų63.51%0.01136%0.357CS..Hα-helixtrans-64.8-38.5179.1-70.6-11.9000110.9L4 I10 L11 F12 R363L4-D8 PolarHBondContact O-N 3.05Å; D8-I10 PolarHBondContact O-N 3.23Å; D8-L11 PolarHBondContact O-N 3.1Å; D8-F12 HydrophobicContact CB-CE2 4.02Å; D8-F12 HydrophobicContact CB-CZ 4.16Å; D8-F12 WeakPolarHBondContact O-CB 3.4Å; D8-F12 VanDerWaalsContact O-CD2 3.24Å; D8-F12 WeakPolarHBondContact O-CD2 3.37Å; D8-F12 WeakPolarHBondContact O-CG 3.43Å; D8-F12 PolarHBondContact O-N 3.23Å; D8-R363 WeakPolarHBondContact OD1-CD 3.39Å; D8-R363 IonicContact OD1-CZ 3.62Å; D8-R363 IonicContact OD1-NE 2.99Å; D8-R363 PolarHBondContact OD1-NE 2.94Å; D8-R363 IonicContact OD1-NH2 2.71Å; D8-R363 IonicContact OD2-NE 3.49Å
9A86.9Confident85.2Confident45 Ų4562.3 Ų62.337%0.37235%0.352SS..Hα-helixtrans-61-43173.500000113.2D5 I7 S13D5-A9 WeakPolarHBondContact O-CB 3.5Å; D5-A9 PolarHBondContact O-N 3.42Å; I7-A9 VanDerWaalsContact C-N 3.33Å; I7-A9 PolarHBondContact O-N 2.87Å; A9-S13 VanDerWaalsContact O-CB 3.26Å; A9-S13 WeakPolarHBondContact O-CB 3.38Å; A9-S13 PolarHBondContact O-N 3.03Å
10I90.5Very high85.6Confident109 Ų10961.5 Ų61.556%0.55935%0.35SS*.Hα-helixtrans-64.9-45.6175-67.8167.1000110.2S6 I7 D8 S13 L14S6-I10 WeakPolarHBondContact O-CG1 3.37Å; S6-I10 PolarHBondContact O-N 3.19Å; I7-I10 PolarHBondContact O-N 3.3Å; D8-I10 PolarHBondContact O-N 3.23Å; I10-S13 WeakPolarHBondContact O-CB 3.24Å; I10-S13 PolarHBondContact O-N 3Å; I10-L14 HydrophobicContact CG2-CD1 3.98Å; I10-L14 HydrophobicContact CG2-CG 4.36Å; I10-L14 WeakPolarHBondContact O-CG 3.47Å; I10-L14 PolarHBondContact O-N 2.96Å
11L90.7Very high86Confident17 Ų1764.1 Ų64.19%0.08937%0.37CS..Hα-helixtrans-59.4-48.1-180176.167.4000111.7I7 D8 L14 S15 I356 T359 S360 R363I7-L11 VanDerWaalsContact O-CB 3.32Å; I7-L11 WeakPolarHBondContact O-CB 3.32Å; I7-L11 PolarHBondContact O-N 2.68Å; D8-L11 PolarHBondContact O-N 3.1Å; L11-L14 PolarHBondContact O-N 3.32Å; L11-S15 PolarHBondContact O-N 2.94Å; L11-I356 HydrophobicContact CD1-CD1 4.03Å; L11-I356 HydrophobicContact CD1-CG2 4.07Å; L11-T359 HydrophobicContact CD1-CG2 4.22Å; L11-T359 HydrophobicContact CD2-CG2 3.77Å; L11-S360 WeakPolarHBondContact CG-OG 3.48Å; L11-R363 HydrophobicContact CD2-CB 4.35Å; L11-R363 HydrophobicContact CD2-CG 3.79Å
12F90.3Very high88.1Confident12 Ų1262.2 Ų62.25%0.05336%0.356CS..Hα-helixtrans-66.1-40.1177.4-58.6-27000111.5D8 L14 S15 R16 R363 I364 Y369D8-F12 HydrophobicContact CB-CE2 4.02Å; D8-F12 HydrophobicContact CB-CZ 4.16Å; D8-F12 WeakPolarHBondContact O-CB 3.4Å; D8-F12 VanDerWaalsContact O-CD2 3.24Å; D8-F12 WeakPolarHBondContact O-CD2 3.37Å; D8-F12 WeakPolarHBondContact O-CG 3.43Å; D8-F12 PolarHBondContact O-N 3.23Å; F12-L14 VanDerWaalsContact C-N 3.35Å; F12-L14 PolarHBondContact O-N 2.92Å; F12-S15 PolarHBondContact O-N 3.09Å; F12-R16 WeakPolarHBondContact O-CG 3.43Å; F12-R16 PolarHBondContact O-N 3.35Å; F12-R363 HydrophobicContact CE1-CB 3.91Å; F12-R363 HydrophobicContact CZ-CB 4Å; F12-I364 HydrophobicContact CD1-CD1 4.4Å; F12-I364 HydrophobicContact CD1-CG1 4.4Å; F12-I364 HydrophobicContact CE1-CD1 4.11Å; F12-I364 HydrophobicContact CE1-CG1 3.67Å; F12-I364 HydrophobicContact CZ-CG1 3.77Å; F12-Y369 AromaticContact CE2-CD2 3.81Å; F12-Y369 HydrophobicContact CE2-CD2 3.81Å; F12-Y369 AromaticContact CE2-CE2 3.96Å; F12-Y369 HydrophobicContact CE2-CE2 3.96Å; F12-Y369 HydrophobicContact CE2-CG 4.21Å; F12-Y369 AromaticContact CZ-CD2 3.69Å; F12-Y369 HydrophobicContact CZ-CD2 3.69Å; F12-Y369 AromaticContact CZ-CE2 3.94Å; F12-Y369 HydrophobicContact CZ-CE2 3.94Å; F12-Y369 HydrophobicContact CZ-CG 4.44Å
13S91.1Very high89.3Confident60 Ų6059.8 Ų59.842%0.4234%0.34SS..Hα-helixtrans-58.2-45.5173.2-171.40000112.3A9 I10 R16 A17A9-S13 VanDerWaalsContact O-CB 3.26Å; A9-S13 WeakPolarHBondContact O-CB 3.38Å; A9-S13 PolarHBondContact O-N 3.03Å; I10-S13 WeakPolarHBondContact O-CB 3.24Å; I10-S13 PolarHBondContact O-N 3Å; S13-R16 PolarHBondContact O-N 3.29Å; S13-A17 WeakPolarHBondContact O-CB 3.36Å; S13-A17 PolarHBondContact O-N 3.09Å
14L92.5Very high90.2Very high72 Ų7256.3 Ų56.338%0.37732%0.318SS..Hα-helixtrans-64.1-44.3175.7-73172.9000112.1I10 L11 F12 R16 A17 F18 I356I10-L14 HydrophobicContact CG2-CD1 3.98Å; I10-L14 HydrophobicContact CG2-CG 4.36Å; I10-L14 WeakPolarHBondContact O-CG 3.47Å; I10-L14 PolarHBondContact O-N 2.96Å; L11-L14 PolarHBondContact O-N 3.32Å; F12-L14 VanDerWaalsContact C-N 3.35Å; F12-L14 PolarHBondContact O-N 2.92Å; L14-R16 VanDerWaalsContact C-N 3.31Å; L14-R16 PolarHBondContact O-N 2.92Å; L14-A17 WeakPolarHBondContact O-CB 3.42Å; L14-A17 PolarHBondContact O-N 3.38Å; L14-A17 VanDerWaalsContact O-N 3.17Å; L14-F18 WeakPolarHBondContact O-CG 3.25Å; L14-F18 PolarHBondContact O-N 3.23Å; L14-I356 HydrophobicContact CB-CG2 4.02Å
15S92.3Very high91.3Very high4 Ų457.6 Ų57.63%0.02832%0.321CS..Hα-helixtrans-60.6-41.5176.5-175.20000111.6L11 F12 F18 T19 H357 S360L11-S15 PolarHBondContact O-N 2.94Å; F12-S15 PolarHBondContact O-N 3.09Å; S15-F18 PolarHBondContact O-N 3.1Å; S15-T19 PolarHBondContact O-N 2.85Å; S15-T19 VanDerWaalsContact O-N 3.16Å; S15-H357 PolarHBondContact O-CE1 2.86Å; S15-H357 PolarHBondContact OG-ND1 3.47Å; S15-S360 VanDerWaalsContact CB-OG 3.25Å; S15-S360 WeakPolarHBondContact CB-OG 3.44Å
16R91.7Very high92.1Very high84 Ų8456 Ų5632%0.31731%0.313SS..Hα-helixtrans-61.9-45.5172.9-69.3-168.7-59.5-95.4-0111.5F12 S13 L14 F18 T19 S20 D374F12-R16 WeakPolarHBondContact O-CG 3.43Å; F12-R16 PolarHBondContact O-N 3.35Å; S13-R16 PolarHBondContact O-N 3.29Å; L14-R16 VanDerWaalsContact C-N 3.31Å; L14-R16 PolarHBondContact O-N 2.92Å; R16-F18 VanDerWaalsContact C-N 3.25Å; R16-F18 PolarHBondContact O-N 3.29Å; R16-T19 PolarHBondContact O-N 2.88Å; R16-T19 PolarHBondContact O-OG1 2.98Å; R16-S20 PolarHBondContact O-N 2.9Å; R16-D374 IonicContact CZ-OD1 3.88Å; R16-D374 IonicContact NH1-OD1 2.67Å; R16-D374 PolarHBondContact NH1-OD1 3.34Å
17A93.4Very high92.8Very high50 Ų5053.8 Ų53.841%0.41330%0.296SS..Hα-helixtrans-59.8-36.1175.800000112.4S13 L14 T19 S20S13-A17 WeakPolarHBondContact O-CB 3.36Å; S13-A17 PolarHBondContact O-N 3.09Å; L14-A17 WeakPolarHBondContact O-CB 3.42Å; L14-A17 PolarHBondContact O-N 3.38Å; L14-A17 VanDerWaalsContact O-N 3.17Å; A17-T19 PolarHBondContact O-N 3.17Å; A17-S20 WeakPolarHBondContact O-CB 3.39Å; A17-S20 PolarHBondContact O-N 3.11Å; A17-S20 VanDerWaalsContact O-N 3.07Å; A17-S20 PolarHBondContact O-OG 3.49Å
18F94.9Very high93.3Very high44 Ų4453.9 Ų53.919%0.19330%0.297CS..Hα-helixtrans-75-10.6175.9-66.3-16.4000114.5L14 S15 R16 A23 Q27 M353 I356L14-F18 WeakPolarHBondContact O-CG 3.25Å; L14-F18 PolarHBondContact O-N 3.23Å; S15-F18 PolarHBondContact O-N 3.1Å; R16-F18 VanDerWaalsContact C-N 3.25Å; R16-F18 PolarHBondContact O-N 3.29Å; F18-A23 HydrophobicContact CB-CB 4.47Å; F18-A23 HydrophobicContact CD1-CB 4.46Å; F18-A23 VanDerWaalsContact O-CB 3.27Å; F18-A23 WeakPolarHBondContact O-CB 3.32Å; F18-Q27 PolarHBondContact O-NE2 3.44Å; F18-M353 HydrophobicContact CB-CG 4.46Å; F18-M353 HydrophobicContact CD1-CE 4.35Å; F18-M353 HydrophobicContact CD1-CG 4.11Å; F18-M353 HydrophobicContact CD1-SD 4.34Å; F18-M353 HydrophobicContact CD2-CB 3.82Å; F18-M353 HydrophobicContact CD2-CG 3.74Å; F18-M353 HydrophobicContact CE1-CE 4.4Å; F18-M353 HydrophobicContact CE1-CG 4.25Å; F18-M353 HydrophobicContact CE2-CB 4.2Å; F18-M353 HydrophobicContact CE2-CG 3.86Å; F18-M353 HydrophobicContact CG-CB 4.22Å; F18-M353 HydrophobicContact CG-CG 3.87Å; F18-M353 HydrophobicContact CG-SD 4.35Å; F18-M353 HydrophobicContact CZ-CG 4.13Å; F18-I356 HydrophobicContact CD2-CB 3.99Å; F18-I356 HydrophobicContact CD2-CG1 4.43Å; F18-I356 HydrophobicContact CD2-CG2 3.88Å; F18-I356 HydrophobicContact CE2-CB 3.89Å; F18-I356 HydrophobicContact CE2-CG1 3.82Å; F18-I356 HydrophobicContact CE2-CG2 4Å
19T93.2Very high93.8Very high41 Ų4156.1 Ų56.125%0.25231%0.307SS..THydrogen-bonded Turntrans-91.32.6165.859.70000113.8S15 R16 A17S15-T19 PolarHBondContact O-N 2.85Å; S15-T19 VanDerWaalsContact O-N 3.16Å; R16-T19 PolarHBondContact O-N 2.88Å; R16-T19 PolarHBondContact O-OG1 2.98Å; A17-T19 PolarHBondContact O-N 3.17Å
20S93.8Very high94.3Very high45 Ų4554 Ų5432%0.31529%0.29SS..SBendtrans-65.2155173.768.60000111.8R16 A17 F22 A23 V24R16-S20 PolarHBondContact O-N 2.9Å; A17-S20 WeakPolarHBondContact O-CB 3.39Å; A17-S20 PolarHBondContact O-N 3.11Å; A17-S20 VanDerWaalsContact O-N 3.07Å; A17-S20 PolarHBondContact O-OG 3.49Å; S20-F22 VanDerWaalsContact C-N 3.25Å; S20-F22 PolarHBondContact O-N 3.24Å; S20-F22 VanDerWaalsContact O-N 3.16Å; S20-A23 PolarHBondContact O-N 3.28Å; S20-A23 PolarHBondContact OG-N 3.19Å; S20-V24 WeakPolarHBondContact O-CG2 3.4Å; S20-V24 PolarHBondContact O-N 2.84Å
21P95Very high94.7Very high118 Ų11849.4 Ų49.477%0.76627%0.267SS*.Hα-helixtrans-53.3-39.5-179.3-28.935.6000114.1F25P21-F25 WeakPolarHBondContact O-CB 3.38Å; P21-F25 PolarHBondContact O-N 2.79Å
22F95.3Very high95Very high156 Ų15651.7 Ų51.768%0.68428%0.282SS*.Hα-helixtrans-68.5-43.2178179-104.7000112.4S20 F25 V26S20-F22 VanDerWaalsContact C-N 3.25Å; S20-F22 PolarHBondContact O-N 3.24Å; S20-F22 VanDerWaalsContact O-N 3.16Å; F22-F25 WeakPolarHBondContact O-CB 3.48Å; F22-F25 PolarHBondContact O-N 3.04Å; F22-V26 HydrophobicContact CE1-CG2 4.22Å; F22-V26 HydrophobicContact CZ-CG2 4.22Å; F22-V26 WeakPolarHBondContact O-CG2 3.3Å; F22-V26 PolarHBondContact O-N 3.34Å
23A95.7Very high95.4Very high6 Ų652.3 Ų52.35%0.0529%0.286CS..Hα-helixtrans-68.9-38178.100000112.2F18 S20 F25 V26 Q27 M353F18-A23 HydrophobicContact CB-CB 4.47Å; F18-A23 HydrophobicContact CD1-CB 4.46Å; F18-A23 VanDerWaalsContact O-CB 3.27Å; F18-A23 WeakPolarHBondContact O-CB 3.32Å; S20-A23 PolarHBondContact O-N 3.28Å; S20-A23 PolarHBondContact OG-N 3.19Å; A23-F25 VanDerWaalsContact C-N 3.3Å; A23-F25 PolarHBondContact O-N 3.12Å; A23-V26 PolarHBondContact O-N 3.19Å; A23-Q27 WeakPolarHBondContact O-CG 3.34Å; A23-Q27 PolarHBondContact O-N 3.46Å; A23-M353 HydrophobicContact CB-CE 4.44Å; A23-M353 HydrophobicContact CB-SD 4.37Å
24V96.4Very high95.7Very high39 Ų3949.4 Ų49.424%0.23627%0.266CS..Hα-helixtrans-60.5-42.2172.1172.10000110.6S20 V26 Q27 I28 L384S20-V24 WeakPolarHBondContact O-CG2 3.4Å; S20-V24 PolarHBondContact O-N 2.84Å; V24-V26 PolarHBondContact O-N 3.38Å; V24-Q27 PolarHBondContact O-N 2.9Å; V24-I28 HydrophobicContact CG1-CD1 3.79Å; V24-I28 HydrophobicContact CG1-CG1 4.36Å; V24-I28 VanDerWaalsContact O-CG1 3.31Å; V24-I28 WeakPolarHBondContact O-CG1 3.46Å; V24-I28 PolarHBondContact O-N 2.59Å; V24-L384 HydrophobicContact CG1-CD2 4.34Å; V24-L384 HydrophobicContact CG2-CD1 4.03Å
25F97Very high96Very high107 Ų10749.6 Ų49.647%0.46927%0.267SS..Hα-helixtrans-57.7-47.4173.7171.2-99.8000112P21 F22 A23 Q27 I28 Q29P21-F25 WeakPolarHBondContact O-CB 3.38Å; P21-F25 PolarHBondContact O-N 2.79Å; F22-F25 WeakPolarHBondContact O-CB 3.48Å; F22-F25 PolarHBondContact O-N 3.04Å; A23-F25 VanDerWaalsContact C-N 3.3Å; A23-F25 PolarHBondContact O-N 3.12Å; F25-Q27 VanDerWaalsContact C-N 3.3Å; F25-Q27 PolarHBondContact O-N 3.4Å; F25-I28 PolarHBondContact O-N 2.97Å; F25-Q29 HydrophobicContact CD1-CG 4.39Å; F25-Q29 HydrophobicContact CE1-CG 4.06Å; F25-Q29 VanDerWaalsContact CE1-NE2 3.32Å; F25-Q29 HydrophobicContact CE2-CG 4.2Å; F25-Q29 VanDerWaalsContact CZ-CD 3.43Å; F25-Q29 HydrophobicContact CZ-CG 3.97Å; F25-Q29 WeakPolarHBondContact O-CG 3.29Å; F25-Q29 PolarHBondContact O-N 3Å
26V96.7Very high96.3Very high22 Ų2254.6 Ų54.613%0.13329%0.293CS..Hα-helixtrans-59-40.8176173.70000111.6F22 A23 V24 Q29 G30 A349 M353F22-V26 HydrophobicContact CE1-CG2 4.22Å; F22-V26 HydrophobicContact CZ-CG2 4.22Å; F22-V26 WeakPolarHBondContact O-CG2 3.3Å; F22-V26 PolarHBondContact O-N 3.34Å; A23-V26 PolarHBondContact O-N 3.19Å; V24-V26 PolarHBondContact O-N 3.38Å; V26-Q29 WeakPolarHBondContact O-CB 3.45Å; V26-Q29 PolarHBondContact O-N 3.31Å; V26-G30 PolarHBondContact O-N 3.08Å; V26-G30 VanDerWaalsContact O-N 3.14Å; V26-A349 HydrophobicContact CG1-CB 3.86Å; V26-M353 HydrophobicContact CB-CE 4.29Å; V26-M353 HydrophobicContact CG1-CE 3.97Å
27Q98Very high96.6Very high5 Ų552 Ų522%0.02328%0.284CS..Hα-helixtrans-65.2-42.8176.6-69-177.278.200112.9F18 A23 V24 F25 Q29 G30 C31 P350 M353 H357F18-Q27 PolarHBondContact O-NE2 3.44Å; A23-Q27 WeakPolarHBondContact O-CG 3.34Å; A23-Q27 PolarHBondContact O-N 3.46Å; V24-Q27 PolarHBondContact O-N 2.9Å; F25-Q27 VanDerWaalsContact C-N 3.3Å; F25-Q27 PolarHBondContact O-N 3.4Å; Q27-Q29 VanDerWaalsContact C-N 3.29Å; Q27-Q29 PolarHBondContact O-N 3.18Å; Q27-G30 PolarHBondContact O-N 3.25Å; Q27-C31 PolarHBondContact O-N 3.22Å; Q27-C31 VanDerWaalsContact O-N 3.11Å; Q27-C31 PolarHBondContact O-SG 3.04Å; Q27-P350 HydrophobicContact CB-CB 4.39Å; Q27-P350 HydrophobicContact CG-CB 4.12Å; Q27-P350 HydrophobicContact CG-CG 4.5Å; Q27-M353 HydrophobicContact CG-CB 4.37Å; Q27-M353 HydrophobicContact CG-SD 3.54Å; Q27-M353 VanDerWaalsContact CG-SD 3.54Å; Q27-H357 PolarHBondContact NE2-NE2 3.43Å
28I97.3Very high96.8Very high94 Ų9449.7 Ų49.748%0.48227%0.266SS..Hα-helixtrans-62-39173.9-68.3167.5000110.9V24 F25 C31 T32V24-I28 HydrophobicContact CG1-CD1 3.79Å; V24-I28 HydrophobicContact CG1-CG1 4.36Å; V24-I28 VanDerWaalsContact O-CG1 3.31Å; V24-I28 WeakPolarHBondContact O-CG1 3.46Å; V24-I28 PolarHBondContact O-N 2.59Å; F25-I28 PolarHBondContact O-N 2.97Å; I28-C31 PolarHBondContact O-N 3.26Å; I28-T32 WeakPolarHBondContact O-CB 3.29Å; I28-T32 PolarHBondContact O-N 3.31Å; I28-T32 PolarHBondContact O-OG1 3.26Å
29Q97.2Very high97Very high48 Ų4852 Ų5222%0.22428%0.279CS..Hα-helixtrans-61.9-47.7177.5-74.3-168.2-41.600112F25 V26 Q27 C31 T32 I33 Y342F25-Q29 HydrophobicContact CD1-CG 4.39Å; F25-Q29 HydrophobicContact CE1-CG 4.06Å; F25-Q29 VanDerWaalsContact CE1-NE2 3.32Å; F25-Q29 HydrophobicContact CE2-CG 4.2Å; F25-Q29 VanDerWaalsContact CZ-CD 3.43Å; F25-Q29 HydrophobicContact CZ-CG 3.97Å; F25-Q29 WeakPolarHBondContact O-CG 3.29Å; F25-Q29 PolarHBondContact O-N 3Å; V26-Q29 WeakPolarHBondContact O-CB 3.45Å; V26-Q29 PolarHBondContact O-N 3.31Å; Q27-Q29 VanDerWaalsContact C-N 3.29Å; Q27-Q29 PolarHBondContact O-N 3.18Å; Q29-C31 VanDerWaalsContact C-N 3.34Å; Q29-C31 PolarHBondContact O-N 2.97Å; Q29-T32 CarbonylContact O-C 3.6Å; Q29-T32 WeakPolarHBondContact O-CA 3.06Å; Q29-T32 WeakPolarHBondContact O-CB 3.42Å; Q29-T32 PolarHBondContact O-N 2.69Å; Q29-T32 VanDerWaalsContact O-N 3.11Å; Q29-I33 WeakPolarHBondContact O-CG1 3.28Å; Q29-I33 PolarHBondContact O-N 3.34Å; Q29-Y342 PolarHBondContact NE2-OH 3.05Å; Q29-Y342 PolarHBondContact OE1-OH 2.79Å
30G97.8Very high97.2Very high0 Ų050.7 Ų50.70%028%0.275CS..Hα-helixtrans-66.2-35177.600000113.2V26 Q27 T32 I33 C34 G346V26-G30 PolarHBondContact O-N 3.08Å; V26-G30 VanDerWaalsContact O-N 3.14Å; Q27-G30 PolarHBondContact O-N 3.25Å; G30-T32 VanDerWaalsContact C-N 3.31Å; G30-T32 PolarHBondContact O-N 3.37Å; G30-I33 PolarHBondContact O-N 3.22Å; G30-C34 PolarHBondContact O-N 3.07Å; G30-C34 PolarHBondContact O-SG 3.16Å; G30-G346 WeakPolarHBondContact CA-O 3.48Å
31C98.2Very high97.4Very high13 Ų1348.6 Ų48.69%0.08826%0.26CS..Hα-helixtrans-59.9-42.9170.1-65.30000111.5Q27 I28 Q29 I33 C34 L35 C391Q27-C31 PolarHBondContact O-N 3.22Å; Q27-C31 VanDerWaalsContact O-N 3.11Å; Q27-C31 PolarHBondContact O-SG 3.04Å; I28-C31 PolarHBondContact O-N 3.26Å; Q29-C31 VanDerWaalsContact C-N 3.34Å; Q29-C31 PolarHBondContact O-N 2.97Å; C31-I33 PolarHBondContact O-N 3.31Å; C31-C34 WeakPolarHBondContact O-CB 3.41Å; C31-C34 PolarHBondContact O-N 3.2Å; C31-L35 WeakPolarHBondContact O-CG 3.38Å; C31-L35 PolarHBondContact O-N 3.24Å; C31-C391 HydrophobicContact CB-CB 4.35Å
32T98.3Very high97.5Very high66 Ų6647 Ų4741%0.40525%0.245SC..Hα-helixtrans-61.6-42.4175.5-55.40000111.4I28 Q29 G30 L35 L36I28-T32 WeakPolarHBondContact O-CB 3.29Å; I28-T32 PolarHBondContact O-N 3.31Å; I28-T32 PolarHBondContact O-OG1 3.26Å; Q29-T32 CarbonylContact O-C 3.6Å; Q29-T32 WeakPolarHBondContact O-CA 3.06Å; Q29-T32 WeakPolarHBondContact O-CB 3.42Å; Q29-T32 PolarHBondContact O-N 2.69Å; Q29-T32 VanDerWaalsContact O-N 3.11Å; G30-T32 VanDerWaalsContact C-N 3.31Å; G30-T32 PolarHBondContact O-N 3.37Å; T32-L35 PolarHBondContact O-N 2.87Å; T32-L36 HydrophobicContact CG2-CD1 4.06Å; T32-L36 HydrophobicContact CG2-CG 4.34Å; T32-L36 WeakPolarHBondContact O-CB 3.48Å; T32-L36 VanDerWaalsContact O-CG 3.31Å; T32-L36 WeakPolarHBondContact O-CG 3.35Å; T32-L36 PolarHBondContact O-N 3.41Å
33I98Very high97.6Very high24 Ų2444.5 Ų44.512%0.12324%0.238CC..Hα-helixtrans-59-48.8175.3-66.1167.5000110.4Q29 G30 C31 L35 L36 L37 L343 F347Q29-I33 WeakPolarHBondContact O-CG1 3.28Å; Q29-I33 PolarHBondContact O-N 3.34Å; G30-I33 PolarHBondContact O-N 3.22Å; C31-I33 PolarHBondContact O-N 3.31Å; I33-L35 VanDerWaalsContact C-N 3.31Å; I33-L35 PolarHBondContact O-N 3.09Å; I33-L36 PolarHBondContact O-N 3.15Å; I33-L37 HydrophobicContact CG2-CD1 4.07Å; I33-L37 HydrophobicContact CG2-CG 4.49Å; I33-L37 WeakPolarHBondContact O-CG 3.48Å; I33-L37 PolarHBondContact O-N 2.59Å; I33-L343 HydrophobicContact CD1-CD2 3.93Å; I33-L343 HydrophobicContact CG1-CD2 4.07Å; I33-F347 HydrophobicContact CG2-CB 4.32Å; I33-F347 HydrophobicContact CG2-CD2 3.97Å
34C98.2Very high97.7Very high0 Ų044.3 Ų44.30%024%0.236CC..Hα-helixtrans-55.7-46.3177.3-60.40000111.5G30 C31 L37 A38 F347 C391 E395G30-C34 PolarHBondContact O-N 3.07Å; G30-C34 PolarHBondContact O-SG 3.16Å; C31-C34 WeakPolarHBondContact O-CB 3.41Å; C31-C34 PolarHBondContact O-N 3.2Å; C34-L37 PolarHBondContact O-N 3.06Å; C34-A38 WeakPolarHBondContact O-CB 3.27Å; C34-A38 PolarHBondContact O-N 3.09Å; C34-F347 VanDerWaalsContact SG-CE2 3.59Å; C34-C391 HydrophobicContact CB-CB 3.96Å; C34-E395 HydrophobicContact CB-CB 4.27Å; C34-E395 PolarHBondContact SG-OE2 2.92Å; C34-E395 VanDerWaalsContact SG-OE2 3.36Å
35L98.5Very high97.7Very high76 Ų7643.3 Ų43.340%0.39823%0.229SC..Hα-helixtrans-68.6-35.9-179.3-67.7176.2000112.9C31 T32 I33 A38 L39 I394C31-L35 WeakPolarHBondContact O-CG 3.38Å; C31-L35 PolarHBondContact O-N 3.24Å; T32-L35 PolarHBondContact O-N 2.87Å; I33-L35 VanDerWaalsContact C-N 3.31Å; I33-L35 PolarHBondContact O-N 3.09Å; L35-A38 PolarHBondContact O-N 3.11Å; L35-L39 WeakPolarHBondContact O-CB 3.41Å; L35-L39 PolarHBondContact O-N 2.65Å; L35-I394 HydrophobicContact CD2-CD1 4.16Å; L35-I394 HydrophobicContact CD2-CG2 4.29Å
36L98Very high97.7Very high109 Ų10945.4 Ų45.457%0.57124%0.235SC*.Hα-helixtrans-67-42.7175.3-73.3173.7000111.7T32 I33 L39 G40T32-L36 HydrophobicContact CG2-CD1 4.06Å; T32-L36 HydrophobicContact CG2-CG 4.34Å; T32-L36 WeakPolarHBondContact O-CB 3.48Å; T32-L36 VanDerWaalsContact O-CG 3.31Å; T32-L36 WeakPolarHBondContact O-CG 3.35Å; T32-L36 PolarHBondContact O-N 3.41Å; I33-L36 PolarHBondContact O-N 3.15Å; L36-L39 PolarHBondContact O-N 2.98Å; L36-G40 PolarHBondContact O-N 3.07Å
37L98Very high97.7Very high28 Ų2845.8 Ų45.815%0.14724%0.237CC..Hα-helixtrans-60.6-46.6172.5-70.7172.1000110.8I33 C34 L39 G40 W41 P230 M233 E395I33-L37 HydrophobicContact CG2-CD1 4.07Å; I33-L37 HydrophobicContact CG2-CG 4.49Å; I33-L37 WeakPolarHBondContact O-CG 3.48Å; I33-L37 PolarHBondContact O-N 2.59Å; C34-L37 PolarHBondContact O-N 3.06Å; L37-L39 VanDerWaalsContact C-N 3.33Å; L37-L39 PolarHBondContact O-N 3.07Å; L37-G40 PolarHBondContact O-N 3.19Å; L37-W41 HydrophobicContact CB-CE3 4.4Å; L37-W41 HydrophobicContact CB-CH2 4.1Å; L37-W41 HydrophobicContact CB-CZ2 4.41Å; L37-W41 HydrophobicContact CB-CZ3 4.11Å; L37-W41 HydrophobicContact CD1-CH2 4.48Å; L37-W41 HydrophobicContact CD2-CZ2 4.41Å; L37-W41 PolarHBondContact O-N 2.96Å; L37-P230 HydrophobicContact CD2-CB 4.24Å; L37-P230 HydrophobicContact CD2-CG 4.21Å; L37-M233 HydrophobicContact CD2-CE 3.78Å; L37-E395 WeakPolarHBondContact CD1-OE1 3.45Å
38A98.3Very high97.6Very high3 Ų345.5 Ų45.53%0.02524%0.236CC..Hα-helixtrans-59.1-42.3178.200000112.8C34 L35 L42 I394 E395 S398C34-A38 WeakPolarHBondContact O-CB 3.27Å; C34-A38 PolarHBondContact O-N 3.09Å; L35-A38 PolarHBondContact O-N 3.11Å; A38-L42 WeakPolarHBondContact O-CB 3.37Å; A38-L42 PolarHBondContact O-N 3.01Å; A38-I394 HydrophobicContact CB-CG2 3.82Å; A38-E395 HydrophobicContact CB-CB 4.46Å; A38-S398 WeakPolarHBondContact O-CB 3.2Å; A38-S398 PolarHBondContact O-OG 3.23Å
39L98.1Very high97.6Very high91 Ų9141.9 Ų41.948%0.47622%0.217SC..Hα-helixtrans-65.9-45.9176.2176.661000111.2L35 L36 L37 W41 L42 L43L35-L39 WeakPolarHBondContact O-CB 3.41Å; L35-L39 PolarHBondContact O-N 2.65Å; L36-L39 PolarHBondContact O-N 2.98Å; L37-L39 VanDerWaalsContact C-N 3.33Å; L37-L39 PolarHBondContact O-N 3.07Å; L39-W41 PolarHBondContact O-N 3.49Å; L39-L42 WeakPolarHBondContact O-CB 3.46Å; L39-L42 PolarHBondContact O-N 3.07Å; L39-L43 HydrophobicContact CD1-CD1 4.43Å; L39-L43 HydrophobicContact CD1-CG 4.35Å; L39-L43 HydrophobicContact CG-CD1 4.33Å; L39-L43 WeakPolarHBondContact O-CG 3.45Å; L39-L43 PolarHBondContact O-N 3.08Å
40G97.3Very high97.5Very high15 Ų1547.9 Ų47.916%0.15524%0.238CC..Hα-helixtrans-63.2-41.4-179.900000112.7L36 L37 L43 A44 M233L36-G40 PolarHBondContact O-N 3.07Å; L37-G40 PolarHBondContact O-N 3.19Å; G40-L43 PolarHBondContact O-N 3.31Å; G40-A44 WeakPolarHBondContact O-CB 3.28Å; G40-A44 PolarHBondContact O-N 3.44Å; G40-M233 WeakPolarHBondContact CA-SD 3.49Å
41W98Very high97.4Very high1 Ų148.6 Ų48.60%0.00424%0.241CC..Hα-helixtrans-67.5-33.2173.2-66.2-36000113.3L37 L39 A44 E45 M229 P230 E395 M399 L402L37-W41 HydrophobicContact CB-CE3 4.4Å; L37-W41 HydrophobicContact CB-CH2 4.1Å; L37-W41 HydrophobicContact CB-CZ2 4.41Å; L37-W41 HydrophobicContact CB-CZ3 4.11Å; L37-W41 HydrophobicContact CD1-CH2 4.48Å; L37-W41 HydrophobicContact CD2-CZ2 4.41Å; L37-W41 PolarHBondContact O-N 2.96Å; L39-W41 PolarHBondContact O-N 3.49Å; W41-A44 PolarHBondContact O-N 3.21Å; W41-E45 VanDerWaalsContact O-CB 3.3Å; W41-E45 WeakPolarHBondContact O-CB 3.39Å; W41-E45 PolarHBondContact O-N 3.49Å; W41-M229 HydrophobicContact CZ2-CB 4.04Å; W41-M229 PolarHBondContact NE1-O 3.21Å; W41-P230 HydrophobicContact CZ2-CG 4.4Å; W41-E395 HydrophobicContact CE3-CG 4.45Å; W41-E395 HydrophobicContact CH2-CG 4.12Å; W41-E395 HydrophobicContact CZ3-CG 3.48Å; W41-E395 VanDerWaalsContact CZ3-CG 3.48Å; W41-M399 HydrophobicContact CD2-CB 4.32Å; W41-M399 HydrophobicContact CE3-CB 3.67Å; W41-M399 HydrophobicContact CE3-CG 4.24Å; W41-M399 HydrophobicContact CH2-CB 4.2Å; W41-M399 HydrophobicContact CH2-CG 4.08Å; W41-M399 HydrophobicContact CH2-SD 4.24Å; W41-M399 HydrophobicContact CZ2-CG 4.38Å; W41-M399 HydrophobicContact CZ3-CB 3.58Å; W41-M399 HydrophobicContact CZ3-CG 3.98Å; W41-M399 HydrophobicContact CZ3-SD 4.46Å; W41-L402 HydrophobicContact CB-CB 4.31Å; W41-L402 HydrophobicContact CB-CD2 3.95Å; W41-L402 VanDerWaalsContact CD1-CD2 3.49Å; W41-L402 HydrophobicContact CG-CD2 3.95Å
42L97.9Very high97.4Very high85 Ų8548 Ų4845%0.44524%0.237SC..Hα-helixtrans-63.3-42.4172.5-177.870.5000111.5A38 L39 E45 Y46A38-L42 WeakPolarHBondContact O-CB 3.37Å; A38-L42 PolarHBondContact O-N 3.01Å; L39-L42 WeakPolarHBondContact O-CB 3.46Å; L39-L42 PolarHBondContact O-N 3.07Å; L42-E45 WeakPolarHBondContact O-CB 3.41Å; L42-E45 PolarHBondContact O-N 3.27Å; L42-Y46 PolarHBondContact O-N 3.11Å
43L96.9Very high97.4Very high103 Ų10350.3 Ų50.354%0.53924%0.241SC..Hα-helixtrans-68.1-41.8176.9-66.4175.3000111.9L39 G40 E45 Y46 V47L39-L43 HydrophobicContact CD1-CD1 4.43Å; L39-L43 HydrophobicContact CD1-CG 4.35Å; L39-L43 HydrophobicContact CG-CD1 4.33Å; L39-L43 WeakPolarHBondContact O-CG 3.45Å; L39-L43 PolarHBondContact O-N 3.08Å; G40-L43 PolarHBondContact O-N 3.31Å; L43-E45 VanDerWaalsContact C-N 3.31Å; L43-E45 PolarHBondContact O-N 3.04Å; L43-Y46 WeakPolarHBondContact O-CB 3.46Å; L43-Y46 PolarHBondContact O-N 2.81Å; L43-V47 PolarHBondContact O-N 3.29Å
44A96.8Very high97.3Very high2 Ų252.9 Ų52.92%0.01725%0.25CC..Hα-helixtrans-59.7-42.7172.700000111.5G40 W41 Y46 V47 R48 A236 L402G40-A44 WeakPolarHBondContact O-CB 3.28Å; G40-A44 PolarHBondContact O-N 3.44Å; W41-A44 PolarHBondContact O-N 3.21Å; A44-Y46 VanDerWaalsContact C-N 3.31Å; A44-Y46 PolarHBondContact O-N 3.19Å; A44-V47 PolarHBondContact O-N 3.32Å; A44-R48 WeakPolarHBondContact O-CG 3.46Å; A44-R48 PolarHBondContact O-N 2.79Å; A44-A236 HydrophobicContact CB-CB 3.58Å; A44-L402 HydrophobicContact CB-CD1 3.95Å; A44-L402 HydrophobicContact CB-CD2 3.87Å
45E97.1Very high97.2Very high17 Ų1753 Ų538%0.07925%0.25CS..Hα-helixtrans-60.1-43.5176.8-173-86.3168.800111.1W41 L42 L43 V47 R48 N49 N401 L402 R405W41-E45 VanDerWaalsContact O-CB 3.3Å; W41-E45 WeakPolarHBondContact O-CB 3.39Å; W41-E45 PolarHBondContact O-N 3.49Å; L42-E45 WeakPolarHBondContact O-CB 3.41Å; L42-E45 PolarHBondContact O-N 3.27Å; L43-E45 VanDerWaalsContact C-N 3.31Å; L43-E45 PolarHBondContact O-N 3.04Å; E45-V47 VanDerWaalsContact C-N 3.32Å; E45-V47 PolarHBondContact O-N 2.84Å; E45-R48 PolarHBondContact O-N 2.6Å; E45-N49 WeakPolarHBondContact O-CB 3.32Å; E45-N49 PolarHBondContact O-N 2.66Å; E45-N401 WeakPolarHBondContact CG-ND2 3.41Å; E45-L402 HydrophobicContact CB-CB 4.42Å; E45-L402 HydrophobicContact CB-CD1 4.26Å; E45-R405 HydrophobicContact CG-CB 4.17Å; E45-R405 HydrophobicContact CG-CG 3.44Å; E45-R405 VanDerWaalsContact CG-CG 3.44Å; E45-R405 WeakPolarHBondContact OE1-CG 3.46Å; E45-R405 IonicContact OE1-CZ 3.86Å; E45-R405 IonicContact OE1-NE 2.94Å; E45-R405 PolarHBondContact OE1-NE 3.18Å; E45-R405 IonicContact OE1-NH2 2.75Å
46Y96.7Very high97.1Very high152 Ų15253.1 Ų53.160%0.59625%0.247SC*.Hα-helixtrans-57.7-44.6177.9174.4-98000111.9L42 L43 A44 N49 R50L42-Y46 PolarHBondContact O-N 3.11Å; L43-Y46 WeakPolarHBondContact O-CB 3.46Å; L43-Y46 PolarHBondContact O-N 2.81Å; A44-Y46 VanDerWaalsContact C-N 3.31Å; A44-Y46 PolarHBondContact O-N 3.19Å; Y46-N49 PolarHBondContact O-N 3.19Å; Y46-R50 PolarHBondContact O-N 3.38Å
47V96.4Very high97.1Very high29 Ų2952.7 Ų52.718%0.17625%0.246CC..Hα-helixtrans-63.8-48.6177.7174.60000111.2L43 A44 E45 N49 R50 A236 P293L43-V47 PolarHBondContact O-N 3.29Å; A44-V47 PolarHBondContact O-N 3.32Å; E45-V47 VanDerWaalsContact C-N 3.32Å; E45-V47 PolarHBondContact O-N 2.84Å; V47-N49 VanDerWaalsContact C-N 3.33Å; V47-N49 PolarHBondContact O-N 3.04Å; V47-R50 WeakPolarHBondContact O-CB 3.34Å; V47-R50 PolarHBondContact O-N 3.17Å; V47-A236 WeakPolarHBondContact CB-O 3.49Å; V47-A236 WeakPolarHBondContact CG1-O 3.35Å; V47-A236 VanDerWaalsContact CG2-O 3.31Å; V47-A236 WeakPolarHBondContact CG2-O 3.45Å; V47-P293 HydrophobicContact CG1-CB 4.31Å; V47-P293 HydrophobicContact CG1-CG 4.17Å
48R96.5Very high97Very high0 Ų052.1 Ų52.10%024%0.244CC..Hα-helixtrans-64.9-37.8178.3-61.5-64.6-165.2-164.6-5.3111.9A44 E45 R50 E51 V52 A236 P293 L402 E406 L409A44-R48 WeakPolarHBondContact O-CG 3.46Å; A44-R48 PolarHBondContact O-N 2.79Å; E45-R48 PolarHBondContact O-N 2.6Å; R48-R50 VanDerWaalsContact C-N 3.32Å; R48-R50 PolarHBondContact O-N 3.1Å; R48-E51 WeakPolarHBondContact O-CB 3.16Å; R48-E51 PolarHBondContact O-N 2.52Å; R48-V52 WeakPolarHBondContact O-CG2 3.35Å; R48-V52 PolarHBondContact O-N 3.03Å; R48-A236 HydrophobicContact CG-CB 4.4Å; R48-P293 PolarHBondContact NH1-O 3.11Å; R48-L402 HydrophobicContact CG-CD1 4.41Å; R48-E406 HydrophobicContact CG-CG 4.12Å; R48-E406 IonicContact CZ-OE1 3.72Å; R48-E406 IonicContact NE-OE1 3.62Å; R48-E406 PolarHBondContact NE-OE1 3.49Å; R48-E406 IonicContact NH2-OE1 2.67Å; R48-L409 HydrophobicContact CB-CD2 4.43Å
49N97.1Very high96.9Very high18 Ų1855.9 Ų55.910%0.09626%0.263CS..Hα-helixtrans-68-31.5178.8-174.439000112.3E45 Y46 V47 E51 V52 K53E45-N49 WeakPolarHBondContact O-CB 3.32Å; E45-N49 PolarHBondContact O-N 2.66Å; Y46-N49 PolarHBondContact O-N 3.19Å; V47-N49 VanDerWaalsContact C-N 3.33Å; V47-N49 PolarHBondContact O-N 3.04Å; N49-E51 VanDerWaalsContact C-N 3.3Å; N49-E51 PolarHBondContact O-N 2.98Å; N49-V52 PolarHBondContact O-N 3.22Å; N49-K53 WeakPolarHBondContact O-CB 3.44Å; N49-K53 WeakPolarHBondContact O-CG 3.45Å; N49-K53 PolarHBondContact O-N 3.19Å
50R96.7Very high96.8Very high174 Ų17459.9 Ų59.966%0.65728%0.277SS*.Hα-helixtrans-58.2-44171.1-176.5-178.7175.5-178-2111.1Y46 V47 R48 K53 R54Y46-R50 PolarHBondContact O-N 3.38Å; V47-R50 WeakPolarHBondContact O-CB 3.34Å; V47-R50 PolarHBondContact O-N 3.17Å; R48-R50 VanDerWaalsContact C-N 3.32Å; R48-R50 PolarHBondContact O-N 3.1Å; R50-K53 PolarHBondContact O-N 3.21Å; R50-R54 WeakPolarHBondContact O-CB 3.41Å; R50-R54 PolarHBondContact O-N 3.01Å
51E95.5Very high96.7Very high15 Ų1563.5 Ų63.57%0.0731%0.305CS..Hα-helixtrans-68.2-43177.8-59.2-62.59600112.3R48 N49 K53 R54 I55 P293 L409R48-E51 WeakPolarHBondContact O-CB 3.16Å; R48-E51 PolarHBondContact O-N 2.52Å; N49-E51 VanDerWaalsContact C-N 3.3Å; N49-E51 PolarHBondContact O-N 2.98Å; E51-K53 VanDerWaalsContact C-N 3.29Å; E51-K53 PolarHBondContact O-N 3.06Å; E51-R54 VanDerWaalsContact CD-NH1 3.28Å; E51-R54 WeakPolarHBondContact O-CB 3.46Å; E51-R54 PolarHBondContact O-N 3.37Å; E51-R54 VanDerWaalsContact O-N 3.13Å; E51-R54 IonicContact OE1-CZ 2.74Å; E51-R54 IonicContact OE1-NH1 3.62Å; E51-R54 PolarHBondContact OE1-NH1 2.68Å; E51-R54 VanDerWaalsContact OE1-NH1 3.16Å; E51-R54 IonicContact OE2-CZ 2.88Å; E51-R54 IonicContact OE2-NH1 2.93Å; E51-R54 PolarHBondContact OE2-NH1 2.87Å; E51-R54 IonicContact OE2-NH2 2.65Å; E51-R54 PolarHBondContact OE2-NH2 3.47Å; E51-I55 WeakPolarHBondContact O-CG1 3.45Å; E51-I55 PolarHBondContact O-N 3.4Å; E51-P293 HydrophobicContact CG-CB 3.3Å; E51-P293 HydrophobicContact CG-CG 4.33Å; E51-L409 HydrophobicContact CB-CD1 4.27Å
52V97.3Very high96.6Very high0 Ų066.2 Ų66.20%033%0.334CS..Hα-helixtrans-56.6-45.4174.1168.50000110.8R48 N49 K56 Q408 L409 M412R48-V52 WeakPolarHBondContact O-CG2 3.35Å; R48-V52 PolarHBondContact O-N 3.03Å; N49-V52 PolarHBondContact O-N 3.22Å; V52-K56 HydrophobicContact CG1-CD 4.2Å; V52-K56 WeakPolarHBondContact O-CB 3.35Å; V52-K56 WeakPolarHBondContact O-CG 3.3Å; V52-K56 PolarHBondContact O-N 3.04Å; V52-Q408 HydrophobicContact CG1-CG 4.15Å; V52-Q408 HydrophobicContact CG2-CG 4.34Å; V52-L409 HydrophobicContact CG2-CB 3.92Å; V52-L409 HydrophobicContact CG2-CD1 4.03Å; V52-L409 HydrophobicContact CG2-CG 4.49Å; V52-M412 HydrophobicContact CG1-SD 3.88Å
53K97.6Very high96.5Very high114 Ų11462.9 Ų62.950%0.49632%0.316SS..Hα-helixtrans-64-42.8176.1-74.1175.4-178.61760111.5N49 R50 E51 K56 N57N49-K53 WeakPolarHBondContact O-CB 3.44Å; N49-K53 WeakPolarHBondContact O-CG 3.45Å; N49-K53 PolarHBondContact O-N 3.19Å; R50-K53 PolarHBondContact O-N 3.21Å; E51-K53 VanDerWaalsContact C-N 3.29Å; E51-K53 PolarHBondContact O-N 3.06Å; K53-K56 PolarHBondContact O-N 2.81Å; K53-N57 WeakPolarHBondContact O-CB 3.33Å; K53-N57 PolarHBondContact O-N 2.87Å; K53-N57 PolarHBondContact O-ND2 2.8Å
54R95.8Very high96.4Very high78 Ų7862 Ų6229%0.29432%0.319SS..Hα-helixtrans-56.3-53.8177.1-171.7-173.776.8-154-10.3111.1R50 E51 K56 N57 S58 Q70R50-R54 WeakPolarHBondContact O-CB 3.41Å; R50-R54 PolarHBondContact O-N 3.01Å; E51-R54 VanDerWaalsContact CD-NH1 3.28Å; E51-R54 WeakPolarHBondContact O-CB 3.46Å; E51-R54 PolarHBondContact O-N 3.37Å; E51-R54 VanDerWaalsContact O-N 3.13Å; E51-R54 IonicContact OE1-CZ 2.74Å; E51-R54 IonicContact OE1-NH1 3.62Å; E51-R54 PolarHBondContact OE1-NH1 2.68Å; E51-R54 VanDerWaalsContact OE1-NH1 3.16Å; E51-R54 IonicContact OE2-CZ 2.88Å; E51-R54 IonicContact OE2-NH1 2.93Å; E51-R54 PolarHBondContact OE2-NH1 2.87Å; E51-R54 IonicContact OE2-NH2 2.65Å; E51-R54 PolarHBondContact OE2-NH2 3.47Å; R54-K56 PolarHBondContact O-N 2.74Å; R54-N57 PolarHBondContact O-N 3.21Å; R54-S58 PolarHBondContact O-N 3.14Å; R54-S58 PolarHBondContact O-OG 2.86Å; R54-Q70 HydrophobicContact CG-CG 4.45Å
55I96.8Very high96.3Very high3 Ų364.9 Ų64.92%0.01533%0.333CS..Hα-helixtrans-61.8-44.7-179.4-61.8165.8000110.5E51 N57 S58 I59 A66 L409 M412 L413E51-I55 WeakPolarHBondContact O-CG1 3.45Å; E51-I55 PolarHBondContact O-N 3.4Å; I55-N57 VanDerWaalsContact C-N 3.34Å; I55-N57 PolarHBondContact O-N 2.74Å; I55-S58 PolarHBondContact O-N 2.92Å; I55-I59 HydrophobicContact CG2-CD1 3.86Å; I55-I59 HydrophobicContact CG2-CG1 4.45Å; I55-I59 WeakPolarHBondContact O-CG1 3.19Å; I55-I59 PolarHBondContact O-N 3.33Å; I55-A66 HydrophobicContact CG2-CB 4.08Å; I55-L409 HydrophobicContact CD1-CD1 3.89Å; I55-M412 HydrophobicContact CB-CE 3.48Å; I55-M412 VanDerWaalsContact CB-CE 3.48Å; I55-M412 HydrophobicContact CD1-CE 4.42Å; I55-M412 HydrophobicContact CG2-CE 3.33Å; I55-L413 HydrophobicContact CD1-CD2 4Å
56K97Very high96.3Very high78 Ų7864.3 Ų64.334%0.33933%0.332SS..Hα-helixtrans-59.8-42.2177.1-77.4179.2-174175.40112.9V52 K53 R54 I59 K60 M412V52-K56 HydrophobicContact CG1-CD 4.2Å; V52-K56 WeakPolarHBondContact O-CB 3.35Å; V52-K56 WeakPolarHBondContact O-CG 3.3Å; V52-K56 PolarHBondContact O-N 3.04Å; K53-K56 PolarHBondContact O-N 2.81Å; R54-K56 PolarHBondContact O-N 2.74Å; K56-I59 PolarHBondContact O-N 2.95Å; K56-K60 WeakPolarHBondContact O-CG 3.27Å; K56-K60 PolarHBondContact O-N 3.42Å; K56-M412 HydrophobicContact CG-CE 3.73Å; K56-M412 HydrophobicContact CG-SD 4.34Å
57N97.4Very high96.1Very high100 Ų10058.4 Ų58.454%0.53531%0.309SS..Hα-helixtrans-67.8-41.3-180-70.4-10.7000111K53 R54 I55 I59 K60 A61K53-N57 WeakPolarHBondContact O-CB 3.33Å; K53-N57 PolarHBondContact O-N 2.87Å; K53-N57 PolarHBondContact O-ND2 2.8Å; R54-N57 PolarHBondContact O-N 3.21Å; I55-N57 VanDerWaalsContact C-N 3.34Å; I55-N57 PolarHBondContact O-N 2.74Å; N57-I59 PolarHBondContact O-N 2.8Å; N57-K60 PolarHBondContact O-N 3.29Å; N57-A61 WeakPolarHBondContact O-CB 3.32Å; N57-A61 PolarHBondContact O-N 2.99Å
58S96.6Very high96.1Very high17 Ų1758.1 Ų58.112%0.11931%0.306CS..Hα-helixtrans-61.3-42173.7-68.40000112.4R54 I55 A61 G62 N63R54-S58 PolarHBondContact O-N 3.14Å; R54-S58 PolarHBondContact O-OG 2.86Å; I55-S58 PolarHBondContact O-N 2.92Å; S58-A61 CarbonylContact O-C 3.56Å; S58-A61 PolarHBondContact O-N 3.3Å; S58-G62 PolarHBondContact O-N 3.44Å; S58-N63 PolarHBondContact O-N 3.32Å
59I96.1Very high96Very high81 Ų8159.2 Ų59.242%0.41531%0.311SS..Hα-helixtrans-62.4-45175.1-67.3168.3000111I55 K56 N57 A61 G62 N63 A66I55-I59 HydrophobicContact CG2-CD1 3.86Å; I55-I59 HydrophobicContact CG2-CG1 4.45Å; I55-I59 WeakPolarHBondContact O-CG1 3.19Å; I55-I59 PolarHBondContact O-N 3.33Å; K56-I59 PolarHBondContact O-N 2.95Å; N57-I59 PolarHBondContact O-N 2.8Å; I59-A61 PolarHBondContact O-N 2.89Å; I59-G62 PolarHBondContact O-N 3.2Å; I59-N63 WeakPolarHBondContact CA-O 3.4Å; I59-N63 WeakPolarHBondContact CG1-O 3.4Å; I59-A66 HydrophobicContact CG1-CB 3.96Å
60K95.9Very high95.7Very high175 Ų17563.9 Ų63.976%0.76133%0.332SS*.Hα-helixtrans-62.3-30.9176.1-74.1177.4179.1-174.30112.9K56 N57 G62K56-K60 WeakPolarHBondContact O-CG 3.27Å; K56-K60 PolarHBondContact O-N 3.42Å; N57-K60 PolarHBondContact O-N 3.29Å; K60-G62 PolarHBondContact O-N 3Å
61A95.8Very high95.5Very high91 Ų9159.2 Ų59.275%0.75232%0.32SS*.THydrogen-bonded Turntrans-791.9174.700000113.5N57 S58 I59N57-A61 WeakPolarHBondContact O-CB 3.32Å; N57-A61 PolarHBondContact O-N 2.99Å; S58-A61 CarbonylContact O-C 3.56Å; S58-A61 PolarHBondContact O-N 3.3Å; I59-A61 PolarHBondContact O-N 2.89Å
62G95.3Very high95.3Very high59 Ų5962.3 Ų62.361%0.60834%0.336SS*.THydrogen-bonded Turntrans103.2-4.3175.300000115.5S58 I59 K60 S64S58-G62 PolarHBondContact O-N 3.44Å; I59-G62 PolarHBondContact O-N 3.2Å; K60-G62 PolarHBondContact O-N 3Å; G62-S64 PolarHBondContact O-N 2.96Å
63N96.2Very high95.2Very high14 Ų1466.2 Ų66.28%0.07536%0.357CS..  trans-86.690.9175.8-178.95.7000110.9S58 I59 L65 A66 Y69 Q70S58-N63 PolarHBondContact O-N 3.32Å; I59-N63 WeakPolarHBondContact CA-O 3.4Å; I59-N63 WeakPolarHBondContact CG1-O 3.4Å; N63-L65 PolarHBondContact O-N 2.98Å; N63-L65 VanDerWaalsContact OD1-C 3.3Å; N63-L65 WeakPolarHBondContact OD1-CA 3.12Å; N63-L65 PolarHBondContact OD1-N 3.28Å; N63-A66 HydrophobicContact CB-CB 4.5Å; N63-A66 WeakPolarHBondContact O-CB 3.34Å; N63-A66 PolarHBondContact O-N 3.23Å; N63-A66 PolarHBondContact OD1-N 2.88Å; N63-Y69 PolarHBondContact ND2-O 2.96Å; N63-Q70 PolarHBondContact ND2-O 2.96Å
64S94.6Very high95Very high85 Ų8563.9 Ų63.959%0.59435%0.348SS*.THydrogen-bonded Turntrans-66.5-18.8175.558.20000113.8G62G62-S64 PolarHBondContact O-N 2.96Å
65L95.2Very high94.9Very high62 Ų6262.7 Ų62.733%0.32535%0.347SS..THydrogen-bonded Turntrans-97.218.2179.1-59.9179000112.7N63 F67 L68 Y69 L75N63-L65 PolarHBondContact O-N 2.98Å; N63-L65 VanDerWaalsContact OD1-C 3.3Å; N63-L65 WeakPolarHBondContact OD1-CA 3.12Å; N63-L65 PolarHBondContact OD1-N 3.28Å; L65-F67 HydrophobicContact CD2-CE1 3.87Å; L65-F67 HydrophobicContact CD2-CZ 4.14Å; L65-F67 PolarHBondContact O-N 3.1Å; L65-L68 WeakPolarHBondContact O-CB 3.41Å; L65-L68 PolarHBondContact O-N 3.02Å; L65-Y69 PolarHBondContact O-N 2.93Å; L65-L75 HydrophobicContact CB-CD1 4.05Å; L65-L75 HydrophobicContact CD1-CD1 3.5Å; L65-L75 HydrophobicContact CG-CD1 4.43Å
66A95.5Very high94.8Very high5 Ų567.2 Ų67.24%0.04137%0.368CS..THydrogen-bonded Turntrans-58.7-16.5-18000000114.9I55 I59 N63 L68 Y69I55-A66 HydrophobicContact CG2-CB 4.08Å; I59-A66 HydrophobicContact CG1-CB 3.96Å; N63-A66 HydrophobicContact CB-CB 4.5Å; N63-A66 WeakPolarHBondContact O-CB 3.34Å; N63-A66 PolarHBondContact O-N 3.23Å; N63-A66 PolarHBondContact OD1-N 2.88Å; A66-L68 VanDerWaalsContact C-N 3.29Å; A66-Y69 WeakPolarHBondContact CA-O 3.39Å
67F94Very high94.7Very high28 Ų2870.5 Ų70.512%0.12339%0.385CS..THydrogen-bonded Turntrans-75.8-17174.169.9-89.6000113.4L65 M412 L413 P415L65-F67 HydrophobicContact CD2-CE1 3.87Å; L65-F67 HydrophobicContact CD2-CZ 4.14Å; L65-F67 PolarHBondContact O-N 3.1Å; F67-M412 VanDerWaalsContact CB-O 3.26Å; F67-M412 WeakPolarHBondContact CB-O 3.35Å; F67-L413 WeakPolarHBondContact CD2-O 3.35Å; F67-P415 HydrophobicContact CD1-CG 4.33Å; F67-P415 HydrophobicContact CD2-CG 4.49Å; F67-P415 HydrophobicContact CE1-CG 4.02Å; F67-P415 HydrophobicContact CE2-CG 4.19Å; F67-P415 HydrophobicContact CZ-CG 3.95Å
68L95.3Very high94.6Very high23 Ų2368.4 Ų68.412%0.1238%0.378CS..THydrogen-bonded Turntrans-94.6-60.6171.8-60.5177.6000110.4L65 A66 L110 P188L65-L68 WeakPolarHBondContact O-CB 3.41Å; L65-L68 PolarHBondContact O-N 3.02Å; A66-L68 VanDerWaalsContact C-N 3.29Å; L68-L110 HydrophobicContact CD1-CB 4.14Å; L68-L110 HydrophobicContact CD1-CD1 3.78Å; L68-L110 HydrophobicContact CD2-CB 4.03Å; L68-L110 HydrophobicContact CD2-CD1 4.09Å; L68-P188 HydrophobicContact CD2-CB 4.16Å
69Y93.5Very high94.5Very high23 Ų2373.8 Ų73.89%0.0940%0.395CS..  trans-135.6135-177.6-69.6-84.4000110.6N63 L65 A66 D71 E74 L75N63-Y69 PolarHBondContact ND2-O 2.96Å; L65-Y69 PolarHBondContact O-N 2.93Å; A66-Y69 WeakPolarHBondContact CA-O 3.39Å; Y69-D71 WeakPolarHBondContact CB-O 3.33Å; Y69-E74 HydrophobicContact CD1-CB 3.54Å; Y69-E74 HydrophobicContact CD1-CG 4.05Å; Y69-E74 HydrophobicContact CD2-CB 4.44Å; Y69-E74 HydrophobicContact CE1-CB 4.08Å; Y69-E74 HydrophobicContact CG-CB 3.75Å; Y69-L75 HydrophobicContact CD2-CD2 3.5Å; Y69-L75 VanDerWaalsContact CD2-CD2 3.5Å; Y69-L75 HydrophobicContact CD2-CG 3.85Å; Y69-L75 HydrophobicContact CE2-CD2 3.69Å; Y69-L75 HydrophobicContact CE2-CG 4.46Å
70Q91Very high94.5Very high117 Ų11770.8 Ų70.855%0.54738%0.38SS..SBendtrans-63.4-45.4176.7-179.2-177.3-10.200111.4R54 N63R54-Q70 HydrophobicContact CG-CG 4.45Å; N63-Q70 PolarHBondContact ND2-O 2.96Å
71D92.3Very high94.4Very high75 Ų7567.1 Ų67.140%0.40137%0.371SS..SBendtrans-92.3119.9170.8-175.5-2.2000108.8Y69 N73 E74Y69-D71 WeakPolarHBondContact CB-O 3.33Å; D71-N73 PolarHBondContact O-N 2.79Å; D71-N73 WeakPolarHBondContact OD1-CB 3.35Å; D71-N73 PolarHBondContact OD1-N 3.47Å; D71-N73 PolarHBondContact OD1-ND2 3.35Å; D71-E74 HydrophobicContact CB-CG 4.21Å; D71-E74 WeakPolarHBondContact O-CB 3.48Å; D71-E74 PolarHBondContact O-N 3Å
72I92.7Very high94.4Very high80 Ų8070.7 Ų70.741%0.4137%0.37SS..G310 helixtrans-65.5-25.1-179.7-164.4167.9000111.9E74 L75I72-E74 PolarHBondContact O-N 3.27Å; I72-L75 HydrophobicContact CG1-CD1 4.46Å; I72-L75 WeakPolarHBondContact O-CB 3.12Å; I72-L75 PolarHBondContact O-N 3.37Å
73N93.9Very high94.6Very high82 Ų8269.4 Ų69.444%0.43935%0.349SS..G310 helixtrans-67.8-17.3179-56.1-48.9000112.3D71 L75 E76D71-N73 PolarHBondContact O-N 2.79Å; D71-N73 WeakPolarHBondContact OD1-CB 3.35Å; D71-N73 PolarHBondContact OD1-N 3.47Å; D71-N73 PolarHBondContact OD1-ND2 3.35Å; N73-L75 PolarHBondContact O-N 3Å; N73-E76 VanDerWaalsContact O-CB 3.29Å; N73-E76 WeakPolarHBondContact O-CB 3.44Å; N73-E76 VanDerWaalsContact O-CG 3.28Å; N73-E76 WeakPolarHBondContact O-CG 3.34Å; N73-E76 PolarHBondContact O-N 2.87Å; N73-E76 VanDerWaalsContact O-N 3.08Å
74E93.5Very high94.6Very high66 Ų6669.5 Ų69.531%0.30835%0.351SS..G310 helixtrans-62.7-25.3171.7-68.4-62155.600111.6Y69 D71 I72 E76 R79 Q80Y69-E74 HydrophobicContact CD1-CB 3.54Å; Y69-E74 HydrophobicContact CD1-CG 4.05Å; Y69-E74 HydrophobicContact CD2-CB 4.44Å; Y69-E74 HydrophobicContact CE1-CB 4.08Å; Y69-E74 HydrophobicContact CG-CB 3.75Å; D71-E74 HydrophobicContact CB-CG 4.21Å; D71-E74 WeakPolarHBondContact O-CB 3.48Å; D71-E74 PolarHBondContact O-N 3Å; I72-E74 PolarHBondContact O-N 3.27Å; E74-E76 PolarHBondContact O-N 3.39Å; E74-R79 WeakPolarHBondContact O-CB 3.33Å; E74-Q80 PolarHBondContact O-NE2 2.91Å
75L94.2Very high94.8Very high52 Ų5267.8 Ų67.827%0.27233%0.331SS..G310 helixtrans-77.7-3.9176.1-67170.9000113.8L65 Y69 I72 N73L65-L75 HydrophobicContact CB-CD1 4.05Å; L65-L75 HydrophobicContact CD1-CD1 3.5Å; L65-L75 HydrophobicContact CG-CD1 4.43Å; Y69-L75 HydrophobicContact CD2-CD2 3.5Å; Y69-L75 VanDerWaalsContact CD2-CD2 3.5Å; Y69-L75 HydrophobicContact CD2-CG 3.85Å; Y69-L75 HydrophobicContact CE2-CD2 3.69Å; Y69-L75 HydrophobicContact CE2-CG 4.46Å; I72-L75 HydrophobicContact CG1-CD1 4.46Å; I72-L75 WeakPolarHBondContact O-CB 3.12Å; I72-L75 PolarHBondContact O-N 3.37Å; N73-L75 PolarHBondContact O-N 3Å
76E95.1Very high95Very high98 Ų9864.8 Ų64.846%0.45832%0.316SS..SBendtrans-59.9140.9174.9-73.2-177.9-179.800111.4N73 E74 S78 R79 Q80N73-E76 VanDerWaalsContact O-CB 3.29Å; N73-E76 WeakPolarHBondContact O-CB 3.44Å; N73-E76 VanDerWaalsContact O-CG 3.28Å; N73-E76 WeakPolarHBondContact O-CG 3.34Å; N73-E76 PolarHBondContact O-N 2.87Å; N73-E76 VanDerWaalsContact O-N 3.08Å; E74-E76 PolarHBondContact O-N 3.39Å; E76-S78 PolarHBondContact O-N 3.36Å; E76-S78 VanDerWaalsContact O-N 3.1Å; E76-S78 PolarHBondContact OE2-OG 2.67Å; E76-R79 HydrophobicContact CB-CG 4.39Å; E76-R79 WeakPolarHBondContact O-CB 3.46Å; E76-R79 PolarHBondContact O-N 3.06Å; E76-Q80 WeakPolarHBondContact O-CG 3.33Å; E76-Q80 PolarHBondContact O-N 2.91Å
77H94.3Very high95.2Very high148 Ų14864.6 Ų64.669%0.68531%0.314SS*.Hα-helixtrans-53.7-36.4178.4-177.872.5000112.8R79 Q80 V81H77-R79 PolarHBondContact O-N 3.29Å; H77-Q80 PolarHBondContact O-N 3.4Å; H77-V81 WeakPolarHBondContact O-CB 3.33Å; H77-V81 VanDerWaalsContact O-CG1 3.32Å; H77-V81 WeakPolarHBondContact O-CG1 3.42Å; H77-V81 PolarHBondContact O-N 3.31Å
78S96Very high95.4Very high55 Ų5563.2 Ų63.239%0.38531%0.308SS..Hα-helixtrans-60.4-26.9178.272.10000113.7E76 K82E76-S78 PolarHBondContact O-N 3.36Å; E76-S78 VanDerWaalsContact O-N 3.1Å; E76-S78 PolarHBondContact OE2-OG 2.67Å; S78-K82 WeakPolarHBondContact O-CD 3.26Å; S78-K82 VanDerWaalsContact O-CE 3.27Å; S78-K82 WeakPolarHBondContact O-CE 3.36Å
79R94.7Very high95.6Very high130 Ų13062.1 Ų62.149%0.49130%0.302SS..Hα-helixtrans-90.1-49.2175.5-63.4-73.1-178167.83.6110.3E74 E76 H77 V81 K82E74-R79 WeakPolarHBondContact O-CB 3.33Å; E76-R79 HydrophobicContact CB-CG 4.39Å; E76-R79 WeakPolarHBondContact O-CB 3.46Å; E76-R79 PolarHBondContact O-N 3.06Å; H77-R79 PolarHBondContact O-N 3.29Å; R79-V81 VanDerWaalsContact C-N 3.33Å; R79-V81 PolarHBondContact O-N 2.91Å; R79-K82 WeakPolarHBondContact O-CB 3.49Å; R79-K82 PolarHBondContact O-N 3.3Å
80Q95.2Very high95.8Very high19 Ų1961 Ų619%0.08930%0.298CS..Hα-helixtrans-61.2-38.7-176.1-64-62.7-6300112.5E74 E76 H77 K82 L83 G112E74-Q80 PolarHBondContact O-NE2 2.91Å; E76-Q80 WeakPolarHBondContact O-CG 3.33Å; E76-Q80 PolarHBondContact O-N 2.91Å; H77-Q80 PolarHBondContact O-N 3.4Å; Q80-K82 PolarHBondContact O-N 3.07Å; Q80-K82 VanDerWaalsContact O-N 3.16Å; Q80-L83 HydrophobicContact CB-CD1 4.49Å; Q80-L83 VanDerWaalsContact O-CB 3.28Å; Q80-L83 WeakPolarHBondContact O-CB 3.44Å; Q80-L83 WeakPolarHBondContact O-CG 3.41Å; Q80-L83 PolarHBondContact O-N 3.16Å; Q80-L83 VanDerWaalsContact O-N 3.09Å; Q80-L83 VanDerWaalsContact OE1-CD1 3.3Å; Q80-G112 VanDerWaalsContact OE1-N 3.09Å
81V94.7Very high96.1Very high97 Ų9756 Ų5659%0.58828%0.275SS*.THydrogen-bonded Turntrans-65.1-19178.375.80000113.7H77 R79H77-V81 WeakPolarHBondContact O-CB 3.33Å; H77-V81 VanDerWaalsContact O-CG1 3.32Å; H77-V81 WeakPolarHBondContact O-CG1 3.42Å; H77-V81 PolarHBondContact O-N 3.31Å; R79-V81 VanDerWaalsContact C-N 3.33Å; R79-V81 PolarHBondContact O-N 2.91Å
82K96.3Very high96.2Very high166 Ų16652.5 Ų52.572%0.72226%0.257SS*.THydrogen-bonded Turntrans-91.2-6.8178.5-62176.3-176.7171.10112.8S78 R79 Q80S78-K82 WeakPolarHBondContact O-CD 3.26Å; S78-K82 VanDerWaalsContact O-CE 3.27Å; S78-K82 WeakPolarHBondContact O-CE 3.36Å; R79-K82 WeakPolarHBondContact O-CB 3.49Å; R79-K82 PolarHBondContact O-N 3.3Å; Q80-K82 PolarHBondContact O-N 3.07Å; Q80-K82 VanDerWaalsContact O-N 3.16Å
83L97.7Very high96.1Very high32 Ų3251 Ų5117%0.16825%0.247CC..PPolyproline II helixtrans-66.4138.4-179.3-70.4176.4000110.5Q80 Y111Q80-L83 HydrophobicContact CB-CD1 4.49Å; Q80-L83 VanDerWaalsContact O-CB 3.28Å; Q80-L83 WeakPolarHBondContact O-CB 3.44Å; Q80-L83 WeakPolarHBondContact O-CG 3.41Å; Q80-L83 PolarHBondContact O-N 3.16Å; Q80-L83 VanDerWaalsContact O-N 3.09Å; Q80-L83 VanDerWaalsContact OE1-CD1 3.3Å; L83-Y111 HydrophobicContact CB-CE2 4.17Å; L83-Y111 HydrophobicContact CD1-CD2 4.11Å; L83-Y111 HydrophobicContact CD1-CE2 3.77Å; L83-Y111 HydrophobicContact CD2-CE2 4.29Å; L83-Y111 HydrophobicContact CG-CE2 4.31Å
84P98.2Very high95.9Very high17 Ų1747.4 Ų47.411%0.1123%0.229CC..PPolyproline II helixtrans-70.1159-17632-39.5000112.2Y111 K175 Y176 T195 E199P84-Y111 VanDerWaalsContact CD-OH 3.28Å; P84-Y111 WeakPolarHBondContact CD-OH 3.37Å; P84-Y111 PolarHBondContact O-OH 3.36Å; P84-K175 HydrophobicContact CB-CB 3.85Å; P84-K175 HydrophobicContact CB-CD 3.52Å; P84-K175 HydrophobicContact CB-CG 4.28Å; P84-K175 HydrophobicContact CG-CD 4.27Å; P84-Y176 HydrophobicContact CB-CD2 4.42Å; P84-Y176 HydrophobicContact CB-CE2 4.37Å; P84-Y176 HydrophobicContact CG-CD2 3.94Å; P84-Y176 HydrophobicContact CG-CE2 3.81Å; P84-T195 HydrophobicContact CG-CG2 3.38Å; P84-E199 WeakPolarHBondContact CG-OE1 3.45Å
85R98.5Very high95.6Very high48 Ų4846 Ų4618%0.18122%0.222CC..PPolyproline II helixtrans-70.8134.4170178.3174.6-70.9-89.75.7110.9P114 E144 H171 K175 Y176R85-P114 VanDerWaalsContact CA-O 3.32Å; R85-P114 WeakPolarHBondContact CA-O 3.47Å; R85-P114 HydrophobicContact CB-CB 4.06Å; R85-P114 HydrophobicContact CB-CG 4.4Å; R85-P114 HydrophobicContact CG-CB 4.09Å; R85-E144 IonicContact NH1-OE2 3.62Å; R85-E144 PolarHBondContact NH1-OE2 2.98Å; R85-E144 VanDerWaalsContact NH1-OE2 3.09Å; R85-H171 WeakPolarHBondContact CD-ND1 3.43Å; R85-H171 PolarHBondContact NE-ND1 3.33Å; R85-K175 PolarHBondContact O-N 3.2Å; R85-Y176 PolarHBondContact O-N 2.82Å
86V98.8Very high95.1Very high0 Ų043.5 Ų43.50%021%0.21CC..EExtended strand (participates in β ladder)trans-119.4131.3173.3-176.90000110V88 Y111 P114 L115 E116 Y176 L178 I191 M250V86-V88 HydrophobicContact CG1-CG2 4.44Å; V86-Y111 HydrophobicContact CG2-CE1 4.12Å; V86-P114 PolarHBondContact N-O 2.95Å; V86-L115 HydrophobicContact CB-CD2 3.82Å; V86-L115 WeakPolarHBondContact O-CA 3.03Å; V86-E116 PolarHBondContact O-N 2.71Å; V86-Y176 WeakPolarHBondContact CA-O 3.24Å; V86-L178 HydrophobicContact CG1-CB 4.15Å; V86-I191 HydrophobicContact CB-CG2 4.28Å; V86-I191 HydrophobicContact CG1-CG2 4.16Å; V86-I191 HydrophobicContact CG2-CG2 4.14Å; V86-M250 HydrophobicContact CG1-CE 4.13Å
87S98.8Very high94.7Very high0 Ų042.2 Ų42.20%020%0.203CC..EExtended strand (participates in β ladder)trans-102.7125.6169.2-600000109.6E116 T174 Y176 V177 L178S87-E116 WeakPolarHBondContact CB-OE1 3.02Å; S87-E116 WeakPolarHBondContact OG-CG 2.84Å; S87-E116 PolarHBondContact OG-OE1 3.09Å; S87-T174 WeakPolarHBondContact OG-CB 3.31Å; S87-T174 WeakPolarHBondContact OG-CG2 3.49Å; S87-T174 PolarHBondContact OG-OG1 3.01Å; S87-Y176 PolarHBondContact N-O 2.99Å; S87-V177 CarbonylContact O-C 3.41Å; S87-V177 WeakPolarHBondContact O-CA 3.17Å; S87-L178 PolarHBondContact O-N 2.97Å
88V98.7Very high94.5Very high0 Ų037.5 Ų37.50%018%0.182CC..EExtended strand (participates in β ladder)trans-99.6116178.4-173.10000108.9V86 M90 E116 F117 L118 L178 L180 I191V86-V88 HydrophobicContact CG1-CG2 4.44Å; V88-M90 HydrophobicContact CG1-CE 4.09Å; V88-M90 HydrophobicContact CG1-CG 4.32Å; V88-M90 HydrophobicContact CG1-SD 4.41Å; V88-E116 PolarHBondContact N-O 3.39Å; V88-F117 HydrophobicContact CB-CD1 3.62Å; V88-F117 HydrophobicContact CB-CE1 4Å; V88-F117 HydrophobicContact CB-CG 4.43Å; V88-F117 HydrophobicContact CG1-CD1 3.99Å; V88-F117 HydrophobicContact CG1-CE1 4.3Å; V88-F117 HydrophobicContact CG2-CD1 3.87Å; V88-F117 HydrophobicContact CG2-CE1 3.73Å; V88-L118 PolarHBondContact O-N 3.49Å; V88-L178 CarbonylContact C-O 3.57Å; V88-L178 VanDerWaalsContact CA-O 3.31Å; V88-L178 WeakPolarHBondContact CA-O 3.36Å; V88-L178 HydrophobicContact CG1-CD2 4.42Å; V88-L178 HydrophobicContact CG1-CG 4.44Å; V88-L178 HydrophobicContact CG2-CB 4.39Å; V88-L178 HydrophobicContact CG2-CD2 4.26Å; V88-L180 HydrophobicContact CG1-CD1 3.53Å; V88-L180 HydrophobicContact CG1-CG 4.09Å; V88-I191 HydrophobicContact CG2-CD1 3.89Å
89V98.7Very high94.3Very high0 Ų035.2 Ų35.20%017%0.165CC..EExtended strand (participates in β ladder)trans-105.6118-179.4176.70000109.5P91 L118 V120 V177 L178 F179 L180V89-P91 WeakPolarHBondContact O-CD 3.47Å; V89-L118 HydrophobicContact CG2-CD1 4.14Å; V89-V120 HydrophobicContact CG1-CG2 4.12Å; V89-V177 HydrophobicContact CB-CG2 4.49Å; V89-V177 HydrophobicContact CG2-CG2 3.86Å; V89-L178 PolarHBondContact N-O 2.96Å; V89-F179 HydrophobicContact CB-CD1 3.77Å; V89-F179 HydrophobicContact CB-CE1 3.96Å; V89-F179 HydrophobicContact CG1-CD1 3.94Å; V89-F179 HydrophobicContact CG1-CE1 4.03Å; V89-F179 HydrophobicContact CG2-CE1 4.38Å; V89-F179 WeakPolarHBondContact O-CA 3.27Å; V89-L180 PolarHBondContact O-N 2.66Å; V89-L180 VanDerWaalsContact O-N 3.16Å
90M98.1Very high94.1Very high0 Ų032.8 Ų32.80%016%0.162CC..EExtended strand (participates in β ladder)trans-116.897-178.5-75.6168.3-72.200110V88 L92 Q106 F117 L118 F119 V120 L180V88-M90 HydrophobicContact CG1-CE 4.09Å; V88-M90 HydrophobicContact CG1-CG 4.32Å; V88-M90 HydrophobicContact CG1-SD 4.41Å; M90-L92 HydrophobicContact CB-CD2 4.25Å; M90-L92 PolarHBondContact O-N 3.04Å; M90-Q106 HydrophobicContact SD-CB 4.07Å; M90-Q106 PolarHBondContact SD-OE1 3.17Å; M90-F117 HydrophobicContact CE-CB 3.93Å; M90-F117 HydrophobicContact CE-CD1 3.83Å; M90-F117 HydrophobicContact CE-CG 4.37Å; M90-L118 PolarHBondContact N-O 3.44Å; M90-F119 HydrophobicContact CB-CD1 3.98Å; M90-F119 HydrophobicContact CB-CE1 4.38Å; M90-F119 HydrophobicContact CE-CD1 3.72Å; M90-F119 HydrophobicContact CE-CD2 4Å; M90-F119 HydrophobicContact CE-CE1 3.33Å; M90-F119 HydrophobicContact CE-CE2 3.56Å; M90-F119 HydrophobicContact CE-CG 4.1Å; M90-F119 HydrophobicContact CE-CZ 3.25Å; M90-F119 HydrophobicContact SD-CD1 4.01Å; M90-F119 HydrophobicContact SD-CE1 3.46Å; M90-F119 WeakPolarHBondContact SD-CE1 3.48Å; M90-F119 HydrophobicContact SD-CZ 3.87Å; M90-V120 PolarHBondContact O-N 3.04Å; M90-L180 HydrophobicContact CG-CB 3.94Å
91P97.3Very high93.9Very high11 Ų1135.7 Ų35.77%0.07118%0.175CC..EExtended strand (participates in β ladder)trans-69.9117.2173.230.7-35.8000110V89 K159 N162 Q163V89-P91 WeakPolarHBondContact O-CD 3.47Å; P91-K159 HydrophobicContact CB-CG 4.07Å; P91-K159 HydrophobicContact CG-CG 3.81Å; P91-N162 HydrophobicContact CB-CB 3.7Å; P91-Q163 HydrophobicContact CB-CG 4.13Å; P91-Q163 HydrophobicContact CG-CG 3.76Å
92L95Very high93.9Very high2 Ų231.1 Ų31.11%0.0115%0.147CC..  trans-107.9149-177.8-56.3-170.5000112.1M90 W103 F119 V120 V121 A128 V132 N162 D182M90-L92 HydrophobicContact CB-CD2 4.25Å; M90-L92 PolarHBondContact O-N 3.04Å; L92-W103 HydrophobicContact CD1-CH2 4.38Å; L92-W103 HydrophobicContact CD1-CZ2 3.85Å; L92-W103 HydrophobicContact CD2-CZ2 4.08Å; L92-F119 HydrophobicContact CD1-CB 4.08Å; L92-F119 HydrophobicContact CD1-CD1 3.83Å; L92-F119 HydrophobicContact CD1-CG 4.42Å; L92-F119 HydrophobicContact CD2-CD1 4.36Å; L92-F119 HydrophobicContact CG-CD1 4.31Å; L92-V120 PolarHBondContact N-O 3.15Å; L92-V121 HydrophobicContact CB-CG1 3.92Å; L92-V121 HydrophobicContact CD1-CG1 4.36Å; L92-A128 HydrophobicContact CB-CB 3.88Å; L92-A128 HydrophobicContact CD1-CB 3.9Å; L92-V132 HydrophobicContact CD1-CB 4.28Å; L92-V132 HydrophobicContact CD1-CG1 4.27Å; L92-V132 HydrophobicContact CD1-CG2 4.45Å; L92-N162 PolarHBondContact O-ND2 2.84Å; L92-D182 HydrophobicContact CD2-CB 3.61Å
93K91.3Very high93.8Very high48 Ų4823.2 Ų23.221%0.20911%0.113CC..  trans-153.5122.6167.8-175.184.1-168.91040110.8E122 D126 I459 T482K93-E122 HydrophobicContact CD-CG 4.48Å; K93-E122 VanDerWaalsContact CE-CD 3.48Å; K93-E122 WeakPolarHBondContact CE-OE1 3.37Å; K93-E122 WeakPolarHBondContact CE-OE2 3.41Å; K93-E122 IonicContact NZ-OE1 3.23Å; K93-E122 PolarHBondContact NZ-OE1 3.28Å; K93-E122 IonicContact NZ-OE2 3.81Å; K93-D126 WeakPolarHBondContact CD-OD2 3.43Å; K93-D126 IonicContact NZ-OD2 3.63Å; K93-D126 PolarHBondContact NZ-OD2 2.9Å; K93-I459 HydrophobicContact CD-CD1 4.42Å; K93-T482 WeakPolarHBondContact O-CG2 3.33Å
94G88.9Confident93.7Very high7 Ų728.1 Ų28.17%0.07213%0.129CC..SBendtrans71.6-165.5178.100000113.2D126 A128G94-D126 WeakPolarHBondContact CA-OD1 3.28Å; G94-D126 PolarHBondContact N-OD1 2.94Å; G94-D126 PolarHBondContact N-OD2 2.9Å; G94-A128 WeakPolarHBondContact O-CB 3.41Å; G94-A128 PolarHBondContact O-N 3.05Å
95F87.3Confident93.5Very high35 Ų3528.2 Ų28.215%0.15413%0.13CC..  trans-148.3132.6-179-174.9-109.3000110.8N99 L100 W103 P127 A131 L489F95-N99 HydrophobicContact CD2-CB 4.14Å; F95-N99 HydrophobicContact CE2-CB 4.04Å; F95-L100 HydrophobicContact CE2-CD1 4.41Å; F95-L100 HydrophobicContact CE2-CD2 4.29Å; F95-L100 HydrophobicContact CE2-CG 3.8Å; F95-L100 HydrophobicContact CZ-CD1 3.85Å; F95-L100 HydrophobicContact CZ-CG 3.73Å; F95-W103 AromaticContact CD2-CH2 3.74Å; F95-W103 HydrophobicContact CD2-CH2 3.74Å; F95-W103 HydrophobicContact CD2-CZ3 4.04Å; F95-W103 HydrophobicContact CE2-CH2 4.06Å; F95-W103 AromaticContact CE2-CZ3 3.89Å; F95-W103 HydrophobicContact CE2-CZ3 3.89Å; F95-P127 HydrophobicContact CB-CB 3.92Å; F95-A131 HydrophobicContact CD2-CB 3.68Å; F95-A131 HydrophobicContact CE2-CB 3.65Å; F95-A131 HydrophobicContact CG-CB 4.38Å; F95-A131 HydrophobicContact CZ-CB 4.33Å; F95-L489 HydrophobicContact CD1-CD1 3.45Å; F95-L489 VanDerWaalsContact CD1-CD1 3.45Å; F95-L489 HydrophobicContact CD1-CD2 4.28Å; F95-L489 HydrophobicContact CE1-CD1 3.65Å; F95-L489 HydrophobicContact CE1-CD2 3.71Å; F95-L489 HydrophobicContact CE1-CG 4.31Å
96G84.5Confident93.4Very high1 Ų126 Ų261%0.0112%0.122CC..  trans-129170.4-174.100000113.2H98 N99G96-H98 VanDerWaalsContact C-N 3.28Å; G96-H98 PolarHBondContact O-N 2.65Å; G96-N99 VanDerWaalsContact CA-OD1 3.32Å; G96-N99 WeakPolarHBondContact CA-OD1 3.29Å; G96-N99 PolarHBondContact N-OD1 3.5Å; G96-N99 PolarHBondContact O-N 2.87Å
97E86Confident93.2Very high70 Ų7026.2 Ų26.233%0.32712%0.123SC..THydrogen-bonded Turntrans-53.2-37.5-171.5-173.5177.3169.400114.5S303 G486E97-S303 PolarHBondContact OE2-N 3.25Å; E97-S303 PolarHBondContact OE2-OG 2.89Å; E97-G486 WeakPolarHBondContact OE2-CA 3.48Å
98H89.6Confident92.9Very high50 Ų5028.9 Ų28.923%0.23114%0.14CC..THydrogen-bonded Turntrans-106.7-5.6-172.2-55.6-54.2000114.6G96 L100 H101 N102 P300G96-H98 VanDerWaalsContact C-N 3.28Å; G96-H98 PolarHBondContact O-N 2.65Å; H98-L100 PolarHBondContact O-N 3.01Å; H98-H101 PolarHBondContact O-N 3.44Å; H98-H101 VanDerWaalsContact O-N 3.11Å; H98-N102 VanDerWaalsContact O-CG 3.26Å; H98-N102 PolarHBondContact O-N 3.01Å; H98-N102 PolarHBondContact O-ND2 2.92Å; H98-N102 PolarHBondContact O-OD1 2.93Å; H98-P300 HydrophobicContact CB-CG 3.77Å; H98-P300 PolarHBondContact CD2-O 3.39Å; H98-P300 VanDerWaalsContact CD2-O 3.25Å
99N91.5Very high92.6Very high7 Ų730.1 Ų30.14%0.03715%0.148CC..Hα-helixtrans-58.1-43.9-169.9-75.3130.8000113.6F95 G96 H101 N102 W103 D182F95-N99 HydrophobicContact CD2-CB 4.14Å; F95-N99 HydrophobicContact CE2-CB 4.04Å; G96-N99 VanDerWaalsContact CA-OD1 3.32Å; G96-N99 WeakPolarHBondContact CA-OD1 3.29Å; G96-N99 PolarHBondContact N-OD1 3.5Å; G96-N99 PolarHBondContact O-N 2.87Å; N99-H101 VanDerWaalsContact C-N 3.27Å; N99-H101 PolarHBondContact O-N 2.9Å; N99-N102 PolarHBondContact O-N 3.3Å; N99-W103 HydrophobicContact CB-CD2 4.17Å; N99-W103 HydrophobicContact CB-CE3 4.4Å; N99-W103 HydrophobicContact CB-CH2 3.97Å; N99-W103 HydrophobicContact CB-CZ2 3.69Å; N99-W103 HydrophobicContact CB-CZ3 4.3Å; N99-W103 WeakPolarHBondContact O-CB 3.31Å; N99-W103 PolarHBondContact O-N 2.75Å; N99-D182 VanDerWaalsContact ND2-CG 3.33Å; N99-D182 PolarHBondContact ND2-O 2.71Å; N99-D182 PolarHBondContact ND2-OD2 3.09Å
100L91.6Very high92.4Very high79 Ų7934.5 Ų34.541%0.41417%0.171SC..Hα-helixtrans-59.3-39.6179.8-76.3173.3000112.7F95 H98 W103 R104F95-L100 HydrophobicContact CE2-CD1 4.41Å; F95-L100 HydrophobicContact CE2-CD2 4.29Å; F95-L100 HydrophobicContact CE2-CG 3.8Å; F95-L100 HydrophobicContact CZ-CD1 3.85Å; F95-L100 HydrophobicContact CZ-CG 3.73Å; H98-L100 PolarHBondContact O-N 3.01Å; L100-W103 HydrophobicContact CD2-CE3 4.1Å; L100-W103 HydrophobicContact CD2-CZ3 4.22Å; L100-R104 WeakPolarHBondContact O-CB 3.26Å; L100-R104 PolarHBondContact O-N 3.16Å; L100-R104 VanDerWaalsContact O-N 3.1Å
101H91.3Very high92.4Very high79 Ų7935.2 Ų35.237%0.36617%0.174SC..Hα-helixtrans-72.4-39.6179.1-178.355.1000111.2H98 N99 R104 S105 R185H98-H101 PolarHBondContact O-N 3.44Å; H98-H101 VanDerWaalsContact O-N 3.11Å; N99-H101 VanDerWaalsContact C-N 3.27Å; N99-H101 PolarHBondContact O-N 2.9Å; H101-R104 PolarHBondContact O-N 2.8Å; H101-S105 PolarHBondContact O-N 2.94Å; H101-S105 VanDerWaalsContact O-N 3.07Å; H101-R185 VanDerWaalsContact CD2-CD 3.41Å; H101-R185 WeakPolarHBondContact CD2-CD 3.13Å; H101-R185 WeakPolarHBondContact NE2-CD 3.11Å
102N93.9Very high92.3Very high1 Ų136.8 Ų36.81%0.00519%0.191CC..Hα-helixtrans-62.5-52.4175.5-63.6-12000111.3H98 N99 R104 S105 Q106 D182 D183 V184 R185H98-N102 VanDerWaalsContact O-CG 3.26Å; H98-N102 PolarHBondContact O-N 3.01Å; H98-N102 PolarHBondContact O-ND2 2.92Å; H98-N102 PolarHBondContact O-OD1 2.93Å; N99-N102 PolarHBondContact O-N 3.3Å; N102-R104 VanDerWaalsContact C-N 3.27Å; N102-R104 PolarHBondContact O-N 2.87Å; N102-S105 WeakPolarHBondContact O-CA 3.38Å; N102-S105 WeakPolarHBondContact O-CB 3.31Å; N102-S105 PolarHBondContact O-N 3.45Å; N102-S105 PolarHBondContact O-OG 2.86Å; N102-Q106 WeakPolarHBondContact O-CG 3.28Å; N102-Q106 PolarHBondContact O-N 3.32Å; N102-D182 WeakPolarHBondContact CB-O 3.38Å; N102-D182 PolarHBondContact ND2-O 3.21Å; N102-D183 VanDerWaalsContact ND2-CA 3.26Å; N102-D183 WeakPolarHBondContact ND2-CA 3.39Å; N102-D183 PolarHBondContact ND2-O 2.77Å; N102-V184 WeakPolarHBondContact CB-O 3.02Å; N102-R185 WeakPolarHBondContact OD1-CG 3.36Å
103W94.8Very high92.3Very high0 Ų037.1 Ų37.10%020%0.195CC..Hα-helixtrans-58-39.9177.4-62.8-23.6000112.2L92 F95 N99 L100 S105 Q106 I107 F119 A128 A131 V132 L135L92-W103 HydrophobicContact CD1-CH2 4.38Å; L92-W103 HydrophobicContact CD1-CZ2 3.85Å; L92-W103 HydrophobicContact CD2-CZ2 4.08Å; F95-W103 AromaticContact CD2-CH2 3.74Å; F95-W103 HydrophobicContact CD2-CH2 3.74Å; F95-W103 HydrophobicContact CD2-CZ3 4.04Å; F95-W103 HydrophobicContact CE2-CH2 4.06Å; F95-W103 AromaticContact CE2-CZ3 3.89Å; F95-W103 HydrophobicContact CE2-CZ3 3.89Å; N99-W103 HydrophobicContact CB-CD2 4.17Å; N99-W103 HydrophobicContact CB-CE3 4.4Å; N99-W103 HydrophobicContact CB-CH2 3.97Å; N99-W103 HydrophobicContact CB-CZ2 3.69Å; N99-W103 HydrophobicContact CB-CZ3 4.3Å; N99-W103 WeakPolarHBondContact O-CB 3.31Å; N99-W103 PolarHBondContact O-N 2.75Å; L100-W103 HydrophobicContact CD2-CE3 4.1Å; L100-W103 HydrophobicContact CD2-CZ3 4.22Å; W103-S105 PolarHBondContact O-N 3.48Å; W103-Q106 PolarHBondContact O-N 2.86Å; W103-I107 WeakPolarHBondContact O-CG1 3.37Å; W103-I107 PolarHBondContact O-N 3.5Å; W103-F119 HydrophobicContact CB-CE1 4.39Å; W103-F119 HydrophobicContact CG-CE1 4.2Å; W103-A128 HydrophobicContact CH2-CB 4.07Å; W103-A128 HydrophobicContact CZ2-CB 4.35Å; W103-A131 HydrophobicContact CH2-CB 4.22Å; W103-A131 HydrophobicContact CZ3-CB 3.79Å; W103-V132 HydrophobicContact CE3-CB 4.29Å; W103-V132 HydrophobicContact CE3-CG2 4.43Å; W103-V132 HydrophobicContact CZ3-CB 4.1Å; W103-L135 HydrophobicContact CB-CD2 3.51Å; W103-L135 HydrophobicContact CE3-CD2 4.38Å
104R94.3Very high92.6Very high135 Ų13537.5 Ų37.551%0.50920%0.203SC..Hα-helixtrans-58.1-48.8172.8-174.6178.4179.9175-0111L100 H101 N102 Q106 I107 T108 Y139L100-R104 WeakPolarHBondContact O-CB 3.26Å; L100-R104 PolarHBondContact O-N 3.16Å; L100-R104 VanDerWaalsContact O-N 3.1Å; H101-R104 PolarHBondContact O-N 2.8Å; N102-R104 VanDerWaalsContact C-N 3.27Å; N102-R104 PolarHBondContact O-N 2.87Å; R104-Q106 PolarHBondContact O-N 3.12Å; R104-I107 WeakPolarHBondContact O-CG1 3.41Å; R104-I107 PolarHBondContact O-N 2.87Å; R104-T108 HydrophobicContact CG-CG2 4.29Å; R104-T108 WeakPolarHBondContact O-CG2 3.49Å; R104-T108 PolarHBondContact O-N 2.93Å; R104-T108 VanDerWaalsContact O-N 3.09Å; R104-T108 PolarHBondContact O-OG1 3.43Å; R104-Y139 PolarHBondContact NE-OH 2.75Å
105S94.8Very high93Very high19 Ų1938.5 Ų38.513%0.13321%0.207CC..Hα-helixtrans-63.1-27.8178.175.80000113.7H101 N102 W103 R185 L186H101-S105 PolarHBondContact O-N 2.94Å; H101-S105 VanDerWaalsContact O-N 3.07Å; N102-S105 WeakPolarHBondContact O-CA 3.38Å; N102-S105 WeakPolarHBondContact O-CB 3.31Å; N102-S105 PolarHBondContact O-N 3.45Å; N102-S105 PolarHBondContact O-OG 2.86Å; W103-S105 PolarHBondContact O-N 3.48Å; S105-R185 WeakPolarHBondContact OG-CA 3.4Å; S105-L186 PolarHBondContact OG-N 2.9Å; S105-L186 VanDerWaalsContact OG-N 3.11Å
106Q95.2Very high93.5Very high1 Ų137 Ų371%0.00520%0.2CC..Hα-helixtrans-76.1-38.1179.5-71.3168.3-21.900112.2M90 N102 W103 R104 F117 L180 D181 V184 L186M90-Q106 HydrophobicContact SD-CB 4.07Å; M90-Q106 PolarHBondContact SD-OE1 3.17Å; N102-Q106 WeakPolarHBondContact O-CG 3.28Å; N102-Q106 PolarHBondContact O-N 3.32Å; W103-Q106 PolarHBondContact O-N 2.86Å; R104-Q106 PolarHBondContact O-N 3.12Å; Q106-F117 WeakPolarHBondContact O-CE1 3.2Å; Q106-L180 HydrophobicContact CB-CD1 4.44Å; Q106-L180 HydrophobicContact CG-CD1 4.13Å; Q106-D181 PolarHBondContact NE2-O 3.27Å; Q106-V184 PolarHBondContact NE2-O 3.49Å; Q106-L186 HydrophobicContact CG-CD1 3.87Å; Q106-L186 HydrophobicContact CG-CD2 4.29Å; Q106-L186 HydrophobicContact CG-CG 4.44Å
107I95Very high94.2Very high5 Ų537.1 Ų37.13%0.02620%0.2CC..Hα-helixtrans-84.7-23.218067.2178.8000113.6W103 R104 S109 F117 F119 L135 L136 Y139 V143W103-I107 WeakPolarHBondContact O-CG1 3.37Å; W103-I107 PolarHBondContact O-N 3.5Å; R104-I107 WeakPolarHBondContact O-CG1 3.41Å; R104-I107 PolarHBondContact O-N 2.87Å; I107-S109 VanDerWaalsContact C-N 3.28Å; I107-S109 PolarHBondContact O-N 3.29Å; I107-S109 VanDerWaalsContact O-N 3.15Å; I107-F117 HydrophobicContact CG2-CD1 4.11Å; I107-F117 HydrophobicContact CG2-CE1 4.46Å; I107-F117 HydrophobicContact CG2-CG 4.16Å; I107-F119 HydrophobicContact CG2-CE2 3.92Å; I107-F119 HydrophobicContact CG2-CZ 3.57Å; I107-L135 HydrophobicContact CD1-CD2 4.26Å; I107-L135 HydrophobicContact CD1-CG 4.27Å; I107-L136 HydrophobicContact CD1-CD2 4.38Å; I107-Y139 HydrophobicContact CD1-CD1 4.46Å; I107-Y139 HydrophobicContact CD1-CD2 3.79Å; I107-Y139 HydrophobicContact CD1-CE2 4.17Å; I107-Y139 HydrophobicContact CD1-CG 3.97Å; I107-V143 HydrophobicContact CB-CG1 4.32Å
108T92.1Very high94.8Very high57 Ų5733.8 Ų33.835%0.3519%0.185SC..  trans-88.957.6178.561.30000111.8R104 Y139R104-T108 HydrophobicContact CG-CG2 4.29Å; R104-T108 WeakPolarHBondContact O-CG2 3.49Å; R104-T108 PolarHBondContact O-N 2.93Å; R104-T108 VanDerWaalsContact O-N 3.09Å; R104-T108 PolarHBondContact O-OG1 3.43Å; T108-Y139 HydrophobicContact CG2-CE1 4.11Å
109S93.7Very high95.2Very high25 Ų2531.4 Ų31.418%0.17517%0.174CC..  trans-82.7147174.1-174.20000111.4I107 Y111 P188I107-S109 VanDerWaalsContact C-N 3.28Å; I107-S109 PolarHBondContact O-N 3.29Å; I107-S109 VanDerWaalsContact O-N 3.15Å; S109-Y111 PolarHBondContact OG-N 3.42Å; S109-P188 PolarHBondContact OG-O 2.74Å; S109-P188 VanDerWaalsContact OG-O 3.09Å
110L95Very high95.5Very high92 Ų9231.1 Ų31.148%0.48217%0.172SC..  trans-100.531.7173.2-65.9178.8000112.2L68 P188L68-L110 HydrophobicContact CD1-CB 4.14Å; L68-L110 HydrophobicContact CD1-CD1 3.78Å; L68-L110 HydrophobicContact CD2-CB 4.03Å; L68-L110 HydrophobicContact CD2-CD1 4.09Å; L110-P188 HydrophobicContact CB-CB 4.17Å; L110-P188 HydrophobicContact CD1-CB 3.75Å; L110-P188 HydrophobicContact CG-CB 3.77Å; L110-P188 PolarHBondContact N-O 3.36Å
111Y96.4Very high95.8Very high16 Ų1627.3 Ų27.36%0.06315%0.152CC..  trans-81128172176.9-106000110.2L83 P84 V86 S109 G113 L115 I191 T195L83-Y111 HydrophobicContact CB-CE2 4.17Å; L83-Y111 HydrophobicContact CD1-CD2 4.11Å; L83-Y111 HydrophobicContact CD1-CE2 3.77Å; L83-Y111 HydrophobicContact CD2-CE2 4.29Å; L83-Y111 HydrophobicContact CG-CE2 4.31Å; P84-Y111 VanDerWaalsContact CD-OH 3.28Å; P84-Y111 WeakPolarHBondContact CD-OH 3.37Å; P84-Y111 PolarHBondContact O-OH 3.36Å; V86-Y111 HydrophobicContact CG2-CE1 4.12Å; S109-Y111 PolarHBondContact OG-N 3.42Å; Y111-G113 WeakPolarHBondContact CD1-O 3.15Å; Y111-L115 HydrophobicContact CD1-CD1 4.1Å; Y111-L115 HydrophobicContact CD1-CD2 3.43Å; Y111-L115 VanDerWaalsContact CD1-CD2 3.43Å; Y111-L115 HydrophobicContact CD1-CG 3.68Å; Y111-L115 HydrophobicContact CE1-CD2 3.81Å; Y111-L115 HydrophobicContact CE1-CG 4.36Å; Y111-L115 HydrophobicContact CG-CD2 4.37Å; Y111-I191 HydrophobicContact CD1-CG2 4.21Å; Y111-I191 HydrophobicContact CD2-CG2 4.19Å; Y111-I191 HydrophobicContact CE2-CG2 4.5Å; Y111-I191 HydrophobicContact CG-CB 4.37Å; Y111-I191 HydrophobicContact CG-CG2 4Å; Y111-T195 HydrophobicContact CE2-CG2 4.12Å
112G95.1Very high96Very high43 Ų4324.8 Ų24.844%0.44314%0.14SC..  trans-88.7-1.5-175.900000115.9Q80Q80-G112 VanDerWaalsContact OE1-N 3.09Å
113G96.6Very high96.1Very high9 Ų926 Ų269%0.09315%0.149CC..SBendtrans-83.5170170.700000112.4Y111 L115Y111-G113 WeakPolarHBondContact CD1-O 3.15Å; G113-L115 PolarHBondContact O-N 2.94Å
114P97.3Very high96.1Very high57 Ų5728.7 Ų28.737%0.3717%0.165SC..  trans-64.2130.5179.2-18.731.2000111.9R85 V86R85-P114 VanDerWaalsContact CA-O 3.32Å; R85-P114 WeakPolarHBondContact CA-O 3.47Å; R85-P114 HydrophobicContact CB-CB 4.06Å; R85-P114 HydrophobicContact CB-CG 4.4Å; R85-P114 HydrophobicContact CG-CB 4.09Å; V86-P114 PolarHBondContact N-O 2.95Å
115L97.8Very high96Very high28 Ų2828.9 Ų28.915%0.14717%0.172CC..EExtended strand (participates in β ladder)trans-121.9141.5176.9-67.3-178.6000110.7V86 Y111 G113 F117 E144 I191V86-L115 HydrophobicContact CB-CD2 3.82Å; V86-L115 WeakPolarHBondContact O-CA 3.03Å; Y111-L115 HydrophobicContact CD1-CD1 4.1Å; Y111-L115 HydrophobicContact CD1-CD2 3.43Å; Y111-L115 VanDerWaalsContact CD1-CD2 3.43Å; Y111-L115 HydrophobicContact CD1-CG 3.68Å; Y111-L115 HydrophobicContact CE1-CD2 3.81Å; Y111-L115 HydrophobicContact CE1-CG 4.36Å; Y111-L115 HydrophobicContact CG-CD2 4.37Å; G113-L115 PolarHBondContact O-N 2.94Å; L115-F117 HydrophobicContact CB-CE2 3.94Å; L115-F117 HydrophobicContact CB-CZ 4.34Å; L115-F117 HydrophobicContact CD1-CE2 4.12Å; L115-F117 HydrophobicContact CD1-CZ 3.84Å; L115-E144 WeakPolarHBondContact O-CB 2.88Å; L115-I191 HydrophobicContact CD1-CD1 4.02Å; L115-I191 HydrophobicContact CD2-CD1 4.01Å; L115-I191 HydrophobicContact CD2-CG2 4.09Å
116E97.7Very high95.9Very high3 Ų328.1 Ų28.11%0.01417%0.167CC..EExtended strand (participates in β ladder)trans-128.8149.5157.563.6163.9172.400110.8V86 S87 V88 L118 E144 K146 M170 H171V86-E116 PolarHBondContact O-N 2.71Å; S87-E116 WeakPolarHBondContact CB-OE1 3.02Å; S87-E116 WeakPolarHBondContact OG-CG 2.84Å; S87-E116 PolarHBondContact OG-OE1 3.09Å; V88-E116 PolarHBondContact N-O 3.39Å; E116-L118 HydrophobicContact CG-CD1 3.99Å; E116-E144 CarbonylContact C-O 3.47Å; E116-E144 VanDerWaalsContact CA-O 3.25Å; E116-E144 WeakPolarHBondContact CA-O 3.38Å; E116-E144 HydrophobicContact CB-CB 4.42Å; E116-E144 HydrophobicContact CB-CG 3.92Å; E116-K146 IonicContact OE2-NZ 3.88Å; E116-K146 PolarHBondContact OE2-NZ 3.49Å; E116-M170 VanDerWaalsContact OE1-CA 3.3Å; E116-M170 WeakPolarHBondContact OE1-CA 3.17Å; E116-H171 WeakPolarHBondContact OE1-CB 3.24Å; E116-H171 PolarHBondContact OE1-N 3.15Å
117F98.2Very high95.7Very high4 Ų430.7 Ų30.72%0.01818%0.183CC..EExtended strand (participates in β ladder)trans-118.6120179.4-60.7-91.3000110.4V88 M90 Q106 I107 L115 F119 V143 E144 A145 K146 I191V88-F117 HydrophobicContact CB-CD1 3.62Å; V88-F117 HydrophobicContact CB-CE1 4Å; V88-F117 HydrophobicContact CB-CG 4.43Å; V88-F117 HydrophobicContact CG1-CD1 3.99Å; V88-F117 HydrophobicContact CG1-CE1 4.3Å; V88-F117 HydrophobicContact CG2-CD1 3.87Å; V88-F117 HydrophobicContact CG2-CE1 3.73Å; M90-F117 HydrophobicContact CE-CB 3.93Å; M90-F117 HydrophobicContact CE-CD1 3.83Å; M90-F117 HydrophobicContact CE-CG 4.37Å; Q106-F117 WeakPolarHBondContact O-CE1 3.2Å; I107-F117 HydrophobicContact CG2-CD1 4.11Å; I107-F117 HydrophobicContact CG2-CE1 4.46Å; I107-F117 HydrophobicContact CG2-CG 4.16Å; L115-F117 HydrophobicContact CB-CE2 3.94Å; L115-F117 HydrophobicContact CB-CZ 4.34Å; L115-F117 HydrophobicContact CD1-CE2 4.12Å; L115-F117 HydrophobicContact CD1-CZ 3.84Å; F117-F119 HydrophobicContact CB-CE2 4Å; F117-V143 HydrophobicContact CD2-CG1 3.31Å; F117-V143 HydrophobicContact CE2-CG1 3.5Å; F117-V143 VanDerWaalsContact CE2-CG1 3.5Å; F117-V143 HydrophobicContact CG-CG1 4.34Å; F117-E144 PolarHBondContact N-O 3.4Å; F117-A145 HydrophobicContact CB-CB 3.96Å; F117-A145 CarbonylContact O-C 3.5Å; F117-A145 VanDerWaalsContact O-CA 3.32Å; F117-A145 WeakPolarHBondContact O-CA 3.49Å; F117-K146 PolarHBondContact O-N 2.83Å; F117-I191 HydrophobicContact CE1-CD1 4.45Å
118L98.4Very high95.6Very high0 Ų030.4 Ų30.40%018%0.182CC..EExtended strand (participates in β ladder)trans-110104.4178.7-56.399.9000109.4V88 V89 M90 E116 V120 V148 K169V88-L118 PolarHBondContact O-N 3.49Å; V89-L118 HydrophobicContact CG2-CD1 4.14Å; M90-L118 PolarHBondContact N-O 3.44Å; E116-L118 HydrophobicContact CG-CD1 3.99Å; L118-V120 HydrophobicContact CB-CG2 4.34Å; L118-V148 HydrophobicContact CD2-CG2 4.27Å; L118-K169 HydrophobicContact CD2-CB 3.87Å
119F98.2Very high95.8Very high0 Ų030.7 Ų30.70%018%0.177CC..EExtended strand (participates in β ladder)trans-88.6113.3172.7-67.3-88.1000109M90 L92 W103 I107 F117 V132 L136 A145 K146 V147 V148M90-F119 HydrophobicContact CB-CD1 3.98Å; M90-F119 HydrophobicContact CB-CE1 4.38Å; M90-F119 HydrophobicContact CE-CD1 3.72Å; M90-F119 HydrophobicContact CE-CD2 4Å; M90-F119 HydrophobicContact CE-CE1 3.33Å; M90-F119 HydrophobicContact CE-CE2 3.56Å; M90-F119 HydrophobicContact CE-CG 4.1Å; M90-F119 HydrophobicContact CE-CZ 3.25Å; M90-F119 HydrophobicContact SD-CD1 4.01Å; M90-F119 HydrophobicContact SD-CE1 3.46Å; M90-F119 WeakPolarHBondContact SD-CE1 3.48Å; M90-F119 HydrophobicContact SD-CZ 3.87Å; L92-F119 HydrophobicContact CD1-CB 4.08Å; L92-F119 HydrophobicContact CD1-CD1 3.83Å; L92-F119 HydrophobicContact CD1-CG 4.42Å; L92-F119 HydrophobicContact CD2-CD1 4.36Å; L92-F119 HydrophobicContact CG-CD1 4.31Å; W103-F119 HydrophobicContact CB-CE1 4.39Å; W103-F119 HydrophobicContact CG-CE1 4.2Å; I107-F119 HydrophobicContact CG2-CE2 3.92Å; I107-F119 HydrophobicContact CG2-CZ 3.57Å; F117-F119 HydrophobicContact CB-CE2 4Å; F119-V132 HydrophobicContact CB-CG1 4.41Å; F119-V132 HydrophobicContact CB-CG2 4.07Å; F119-V132 HydrophobicContact CD1-CG2 3.56Å; F119-V132 HydrophobicContact CD2-CG2 3.91Å; F119-V132 HydrophobicContact CE1-CG2 3.77Å; F119-V132 HydrophobicContact CE2-CG2 4.16Å; F119-V132 HydrophobicContact CG-CG2 3.57Å; F119-V132 HydrophobicContact CZ-CG2 4.05Å; F119-L136 HydrophobicContact CD2-CD1 3.94Å; F119-L136 HydrophobicContact CD2-CD2 4.39Å; F119-L136 HydrophobicContact CE2-CD1 4.19Å; F119-L136 HydrophobicContact CE2-CD2 3.79Å; F119-L136 HydrophobicContact CE2-CG 4.42Å; F119-L136 HydrophobicContact CZ-CD2 4.44Å; F119-A145 HydrophobicContact CE2-CB 4.44Å; F119-K146 PolarHBondContact N-O 3.4Å; F119-V147 CarbonylContact O-C 3.51Å; F119-V147 WeakPolarHBondContact O-CA 3.32Å; F119-V148 PolarHBondContact O-N 3.33Å
120V98.5Very high95.8Very high0 Ų035 Ų350%019%0.194CC..EExtended strand (participates in β ladder)trans-110.5116.2-169-165.90000111V89 M90 L92 L118 V148 A150 N162V89-V120 HydrophobicContact CG1-CG2 4.12Å; M90-V120 PolarHBondContact O-N 3.04Å; L92-V120 PolarHBondContact N-O 3.15Å; L118-V120 HydrophobicContact CB-CG2 4.34Å; V120-V148 WeakPolarHBondContact CA-O 3.35Å; V120-V148 HydrophobicContact CG1-CB 4.33Å; V120-V148 HydrophobicContact CG1-CG1 4.38Å; V120-V148 HydrophobicContact CG2-CB 4.29Å; V120-A150 HydrophobicContact CG1-CB 3.57Å; V120-N162 HydrophobicContact CB-CB 4.01Å; V120-N162 HydrophobicContact CG1-CB 3.73Å; V120-N162 WeakPolarHBondContact CG1-O 3.38Å; V120-N162 PolarHBondContact O-ND2 2.92Å
121V97.3Very high95.7Very high0 Ų030.9 Ų30.90%017%0.173CC..EExtended strand (participates in β ladder)trans-113.8158.8179.1-66.60000111.2L92 S123 D126 A128 Y129 V147 V148 V149 A150L92-V121 HydrophobicContact CB-CG1 3.92Å; L92-V121 HydrophobicContact CD1-CG1 4.36Å; V121-S123 WeakPolarHBondContact CG2-O 3.18Å; V121-D126 HydrophobicContact CB-CB 4.44Å; V121-A128 HydrophobicContact CG1-CB 4.18Å; V121-Y129 HydrophobicContact CG2-CD2 3.85Å; V121-V147 HydrophobicContact CG2-CG1 4.23Å; V121-V148 PolarHBondContact N-O 2.91Å; V121-V149 HydrophobicContact CG2-CG2 4.1Å; V121-V149 WeakPolarHBondContact O-CA 3.4Å; V121-A150 PolarHBondContact O-N 3.4Å
122E95.4Very high95.6Very high25 Ų2530.1 Ų30.112%0.11717%0.17CC..SBendtrans-73.5-32.5176.572.4-179.2-17000113K93 G151 L152 Q158K93-E122 HydrophobicContact CD-CG 4.48Å; K93-E122 VanDerWaalsContact CE-CD 3.48Å; K93-E122 WeakPolarHBondContact CE-OE1 3.37Å; K93-E122 WeakPolarHBondContact CE-OE2 3.41Å; K93-E122 IonicContact NZ-OE1 3.23Å; K93-E122 PolarHBondContact NZ-OE1 3.28Å; K93-E122 IonicContact NZ-OE2 3.81Å; E122-G151 CarbonylContact O-C 3.5Å; E122-G151 WeakPolarHBondContact O-CA 3.45Å; E122-G151 PolarHBondContact O-N 3.08Å; E122-G151 VanDerWaalsContact O-N 3.14Å; E122-L152 HydrophobicContact CB-CD2 4.19Å; E122-L152 HydrophobicContact CG-CD2 4.31Å; E122-Q158 HydrophobicContact CB-CG 4.1Å
123S95.7Very high95.6Very high26 Ų2630 Ų3018%0.18216%0.162CC..  trans-160169.3-179.585.70000112.1V121 E125 D126V121-S123 WeakPolarHBondContact CG2-O 3.18Å; S123-E125 WeakPolarHBondContact CB-OE2 3.48Å; S123-E125 PolarHBondContact O-N 3.27Å; S123-E125 PolarHBondContact OG-N 3.29Å; S123-E125 PolarHBondContact OG-OE2 2.95Å; S123-D126 PolarHBondContact O-N 2.93Å
124T96.3Very high95.5Very high57 Ų5737 Ų3735%0.3519%0.186SC..THydrogen-bonded Turntrans-69.5-19175.3400000113.5D126 Y129 V149T124-D126 VanDerWaalsContact C-N 3.31Å; T124-Y129 HydrophobicContact CG2-CD1 4.4Å; T124-Y129 HydrophobicContact CG2-CD2 4.39Å; T124-Y129 HydrophobicContact CG2-CE1 4.03Å; T124-Y129 HydrophobicContact CG2-CE2 4.02Å; T124-V149 HydrophobicContact CG2-CG2 4.14Å
125E92.4Very high95.3Very high140 Ų14035.1 Ų35.165%0.65417%0.173SC*.THydrogen-bonded Turntrans-82.2-9.7177.9-57.768.4-141.700112.5S123S123-E125 WeakPolarHBondContact CB-OE2 3.48Å; S123-E125 PolarHBondContact O-N 3.27Å; S123-E125 PolarHBondContact OG-N 3.29Å; S123-E125 PolarHBondContact OG-OE2 2.95Å
126D91.7Very high95.1Very high2 Ų234.7 Ų34.71%0.01117%0.171CC..SBendtrans-65.2128.8175.1-166.5-63.8000110.1K93 G94 V121 S123 T124 A128 Y129K93-D126 WeakPolarHBondContact CD-OD2 3.43Å; K93-D126 IonicContact NZ-OD2 3.63Å; K93-D126 PolarHBondContact NZ-OD2 2.9Å; G94-D126 WeakPolarHBondContact CA-OD1 3.28Å; G94-D126 PolarHBondContact N-OD1 2.94Å; G94-D126 PolarHBondContact N-OD2 2.9Å; V121-D126 HydrophobicContact CB-CB 4.44Å; S123-D126 PolarHBondContact O-N 2.93Å; T124-D126 VanDerWaalsContact C-N 3.31Å; D126-A128 PolarHBondContact O-N 3.23Å; D126-A128 WeakPolarHBondContact OD1-CB 3.37Å; D126-A128 PolarHBondContact OD1-N 2.82Å; D126-Y129 VanDerWaalsContact O-CB 3.29Å; D126-Y129 WeakPolarHBondContact O-CB 3.34Å; D126-Y129 PolarHBondContact O-N 3.15Å
127P91.4Very high95Very high55 Ų5538.1 Ų38.136%0.35720%0.195SC..Hα-helixtrans-52.2-29.5177.9-28.835.4000115.1F95 Y129F95-P127 HydrophobicContact CB-CB 3.92Å; P127-Y129 VanDerWaalsContact C-N 3.3Å; P127-Y129 PolarHBondContact O-N 2.7Å
128A93.2Very high94.7Very high0 Ų044.8 Ų44.80%023%0.228CC..Hα-helixtrans-62.6-36.2175.200000112.3L92 G94 W103 V121 D126 H130 A131 V132L92-A128 HydrophobicContact CB-CB 3.88Å; L92-A128 HydrophobicContact CD1-CB 3.9Å; G94-A128 WeakPolarHBondContact O-CB 3.41Å; G94-A128 PolarHBondContact O-N 3.05Å; W103-A128 HydrophobicContact CH2-CB 4.07Å; W103-A128 HydrophobicContact CZ2-CB 4.35Å; V121-A128 HydrophobicContact CG1-CB 4.18Å; D126-A128 PolarHBondContact O-N 3.23Å; D126-A128 WeakPolarHBondContact OD1-CB 3.37Å; D126-A128 PolarHBondContact OD1-N 2.82Å; A128-H130 PolarHBondContact O-N 2.86Å; A128-A131 PolarHBondContact O-N 3.45Å; A128-V132 WeakPolarHBondContact O-CB 3.45Å; A128-V132 VanDerWaalsContact O-CG1 3.3Å; A128-V132 WeakPolarHBondContact O-CG1 3.39Å; A128-V132 PolarHBondContact O-N 3.19Å
129Y95.1Very high94.4Very high63 Ų6346.8 Ų46.825%0.24724%0.236CC..Hα-helixtrans-56.4-51-173.6179.5-95.5000112V121 T124 D126 P127 V132 S133 V147 V149V121-Y129 HydrophobicContact CG2-CD2 3.85Å; T124-Y129 HydrophobicContact CG2-CD1 4.4Å; T124-Y129 HydrophobicContact CG2-CD2 4.39Å; T124-Y129 HydrophobicContact CG2-CE1 4.03Å; T124-Y129 HydrophobicContact CG2-CE2 4.02Å; D126-Y129 VanDerWaalsContact O-CB 3.29Å; D126-Y129 WeakPolarHBondContact O-CB 3.34Å; D126-Y129 PolarHBondContact O-N 3.15Å; P127-Y129 VanDerWaalsContact C-N 3.3Å; P127-Y129 PolarHBondContact O-N 2.7Å; Y129-V132 WeakPolarHBondContact O-CG1 3.45Å; Y129-S133 VanDerWaalsContact O-CB 3.24Å; Y129-S133 WeakPolarHBondContact O-CB 3.46Å; Y129-S133 PolarHBondContact O-N 3.05Å; Y129-S133 PolarHBondContact O-OG 3.49Å; Y129-V147 HydrophobicContact CD2-CB 4.48Å; Y129-V147 HydrophobicContact CD2-CG1 3.52Å; Y129-V147 HydrophobicContact CE2-CB 4.23Å; Y129-V147 HydrophobicContact CE2-CG1 3.69Å; Y129-V149 HydrophobicContact CE2-CG2 4.24Å
130H93.5Very high93.8Very high115 Ų11553.8 Ų53.853%0.53227%0.268SS..Hα-helixtrans-71.6-35179.5-66-59.6000112.7A128 R134A128-H130 PolarHBondContact O-N 2.86Å; H130-R134 WeakPolarHBondContact O-CG 3.4Å; H130-R134 PolarHBondContact O-N 3.39Å
131A92.7Very high93.3Very high5 Ų560.9 Ų60.94%0.04131%0.307CS..Hα-helixtrans-66.7-47.1179.200000111.3F95 W103 A128 L135F95-A131 HydrophobicContact CD2-CB 3.68Å; F95-A131 HydrophobicContact CE2-CB 3.65Å; F95-A131 HydrophobicContact CG-CB 4.38Å; F95-A131 HydrophobicContact CZ-CB 4.33Å; W103-A131 HydrophobicContact CH2-CB 4.22Å; W103-A131 HydrophobicContact CZ3-CB 3.79Å; A128-A131 PolarHBondContact O-N 3.45Å; A131-L135 PolarHBondContact O-N 3.25Å
132V95Very high92.9Very high0 Ų068.3 Ų68.30%034%0.341CS..Hα-helixtrans-70.4-39.717976.10000111.7L92 W103 F119 A128 Y129 R134 L135 L136 V147L92-V132 HydrophobicContact CD1-CB 4.28Å; L92-V132 HydrophobicContact CD1-CG1 4.27Å; L92-V132 HydrophobicContact CD1-CG2 4.45Å; W103-V132 HydrophobicContact CE3-CB 4.29Å; W103-V132 HydrophobicContact CE3-CG2 4.43Å; W103-V132 HydrophobicContact CZ3-CB 4.1Å; F119-V132 HydrophobicContact CB-CG1 4.41Å; F119-V132 HydrophobicContact CB-CG2 4.07Å; F119-V132 HydrophobicContact CD1-CG2 3.56Å; F119-V132 HydrophobicContact CD2-CG2 3.91Å; F119-V132 HydrophobicContact CE1-CG2 3.77Å; F119-V132 HydrophobicContact CE2-CG2 4.16Å; F119-V132 HydrophobicContact CG-CG2 3.57Å; F119-V132 HydrophobicContact CZ-CG2 4.05Å; A128-V132 WeakPolarHBondContact O-CB 3.45Å; A128-V132 VanDerWaalsContact O-CG1 3.3Å; A128-V132 WeakPolarHBondContact O-CG1 3.39Å; A128-V132 PolarHBondContact O-N 3.19Å; Y129-V132 WeakPolarHBondContact O-CG1 3.45Å; V132-R134 VanDerWaalsContact C-N 3.29Å; V132-R134 PolarHBondContact O-N 2.91Å; V132-L135 WeakPolarHBondContact O-CA 3.48Å; V132-L135 WeakPolarHBondContact O-CB 3.32Å; V132-L135 PolarHBondContact O-N 3.37Å; V132-L136 HydrophobicContact CG2-CD1 4.41Å; V132-L136 HydrophobicContact CG2-CG 4.26Å; V132-L136 WeakPolarHBondContact O-CG 3.33Å; V132-L136 PolarHBondContact O-N 3.44Å; V132-V147 HydrophobicContact CG1-CG1 4.12Å; V132-V147 HydrophobicContact CG1-CG2 3.7Å
133S95.4Very high92.8Very high40 Ų4068.4 Ų68.428%0.2834%0.343SS..Hα-helixtrans-59-40.6177.5-61.50000112.1Y129 L136 S137Y129-S133 VanDerWaalsContact O-CB 3.24Å; Y129-S133 WeakPolarHBondContact O-CB 3.46Å; Y129-S133 PolarHBondContact O-N 3.05Å; Y129-S133 PolarHBondContact O-OG 3.49Å; S133-L136 PolarHBondContact O-N 3.31Å; S133-S137 PolarHBondContact O-N 3.35Å
134R93.8Very high92.8Very high158 Ų15871.7 Ų71.760%0.59636%0.356SS*.Hα-helixtrans-68.3-34.1174.5-72.8-171.5-59-160.82.3113.4H130 V132 S137H130-R134 WeakPolarHBondContact O-CG 3.4Å; H130-R134 PolarHBondContact O-N 3.39Å; V132-R134 VanDerWaalsContact C-N 3.29Å; V132-R134 PolarHBondContact O-N 2.91Å; R134-S137 PolarHBondContact O-OG 3Å
135L93.9Very high92.8Very high16 Ų1670.6 Ų70.68%0.08435%0.352CS..Hα-helixtrans-64.8-49.2173.5178.366.2000109.6W103 I107 A131 V132 S137 M138 Y139W103-L135 HydrophobicContact CB-CD2 3.51Å; W103-L135 HydrophobicContact CE3-CD2 4.38Å; I107-L135 HydrophobicContact CD1-CD2 4.26Å; I107-L135 HydrophobicContact CD1-CG 4.27Å; A131-L135 PolarHBondContact O-N 3.25Å; V132-L135 WeakPolarHBondContact O-CA 3.48Å; V132-L135 WeakPolarHBondContact O-CB 3.32Å; V132-L135 PolarHBondContact O-N 3.37Å; L135-S137 VanDerWaalsContact C-N 3.33Å; L135-S137 PolarHBondContact O-N 3.03Å; L135-M138 WeakPolarHBondContact O-CB 3.42Å; L135-M138 PolarHBondContact O-N 2.91Å; L135-Y139 HydrophobicContact CD1-CD2 4.29Å; L135-Y139 HydrophobicContact CD1-CE2 3.86Å; L135-Y139 WeakPolarHBondContact O-CD2 3.49Å
136L94.2Very high92.9Very high19 Ų1967.9 Ų67.910%0.09934%0.338CS..Hα-helixtrans-65-33.3-177.1-64-173.3000113.3I107 F119 V132 S133 M138 Y139 Q140 A145 V147I107-L136 HydrophobicContact CD1-CD2 4.38Å; F119-L136 HydrophobicContact CD2-CD1 3.94Å; F119-L136 HydrophobicContact CD2-CD2 4.39Å; F119-L136 HydrophobicContact CE2-CD1 4.19Å; F119-L136 HydrophobicContact CE2-CD2 3.79Å; F119-L136 HydrophobicContact CE2-CG 4.42Å; F119-L136 HydrophobicContact CZ-CD2 4.44Å; V132-L136 HydrophobicContact CG2-CD1 4.41Å; V132-L136 HydrophobicContact CG2-CG 4.26Å; V132-L136 WeakPolarHBondContact O-CG 3.33Å; V132-L136 PolarHBondContact O-N 3.44Å; S133-L136 PolarHBondContact O-N 3.31Å; L136-M138 PolarHBondContact O-N 3.05Å; L136-M138 VanDerWaalsContact O-N 3.15Å; L136-Y139 CarbonylContact O-C 3.57Å; L136-Y139 PolarHBondContact O-N 2.71Å; L136-Q140 PolarHBondContact O-N 3.35Å; L136-A145 HydrophobicContact CD1-CB 3.83Å; L136-A145 HydrophobicContact CD2-CB 3.54Å; L136-A145 HydrophobicContact CG-CB 4.25Å; L136-V147 HydrophobicContact CD1-CG2 3.86Å
137S93.7Very high93.2Very high76 Ų7669.6 Ų69.653%0.53135%0.349SS..THydrogen-bonded Turntrans-61.5-22.2173.863.40000113.3S133 R134 L135 Y139S133-S137 PolarHBondContact O-N 3.35Å; R134-S137 PolarHBondContact O-OG 3Å; L135-S137 VanDerWaalsContact C-N 3.33Å; L135-S137 PolarHBondContact O-N 3.03Å; S137-Y139 VanDerWaalsContact C-N 3.34Å
138M92.6Very high93.5Very high143 Ų14367.8 Ų67.870%0.70434%0.336SS*.THydrogen-bonded Turntrans-81.3-13.7174.7-59.3178.1-177.400113.2L135 L136L135-M138 WeakPolarHBondContact O-CB 3.42Å; L135-M138 PolarHBondContact O-N 2.91Å; L136-M138 PolarHBondContact O-N 3.05Å; L136-M138 VanDerWaalsContact O-N 3.15Å
139Y92.6Very high93.8Very high42 Ų4271.2 Ų71.217%0.16536%0.357CS..THydrogen-bonded Turntrans-12411.3-175.7-68.5-90000113.3R104 I107 T108 L135 L136 S137 D141 H142 V143R104-Y139 PolarHBondContact NE-OH 2.75Å; I107-Y139 HydrophobicContact CD1-CD1 4.46Å; I107-Y139 HydrophobicContact CD1-CD2 3.79Å; I107-Y139 HydrophobicContact CD1-CE2 4.17Å; I107-Y139 HydrophobicContact CD1-CG 3.97Å; T108-Y139 HydrophobicContact CG2-CE1 4.11Å; L135-Y139 HydrophobicContact CD1-CD2 4.29Å; L135-Y139 HydrophobicContact CD1-CE2 3.86Å; L135-Y139 WeakPolarHBondContact O-CD2 3.49Å; L136-Y139 CarbonylContact O-C 3.57Å; L136-Y139 PolarHBondContact O-N 2.71Å; S137-Y139 VanDerWaalsContact C-N 3.34Å; Y139-D141 PolarHBondContact O-N 3.5Å; Y139-D141 VanDerWaalsContact O-N 3.1Å; Y139-H142 PolarHBondContact O-N 2.84Å; Y139-V143 HydrophobicContact CD1-CG2 4.46Å; Y139-V143 PolarHBondContact O-N 3.15Å
140Q85.6Confident93.9Very high147 Ų14769 Ų6969%0.68735%0.352SS*.THydrogen-bonded Turntrans-54-36-171-176.4174.6-18.800113.7L136L136-Q140 PolarHBondContact O-N 3.35Å
141D88.2Confident94.1Very high150 Ų15064.8 Ų64.880%0.80234%0.339SS*.THydrogen-bonded Turntrans-88.9-4.3-179.1-56.3-44000114Y139Y139-D141 PolarHBondContact O-N 3.5Å; Y139-D141 VanDerWaalsContact O-N 3.1Å
142H88.4Confident94.3Very high156 Ų15669 Ų6972%0.72236%0.361SS*.THydrogen-bonded Turntrans-116.4-22.6-172.1-60.281.3000113Y139Y139-H142 PolarHBondContact O-N 2.84Å
143V93Very high94.4Very high26 Ų2669 Ų6916%0.15836%0.361CS..  trans-137.4128.2-172.4-176.40000110.2I107 F117 Y139 A145I107-V143 HydrophobicContact CB-CG1 4.32Å; F117-V143 HydrophobicContact CD2-CG1 3.31Å; F117-V143 HydrophobicContact CE2-CG1 3.5Å; F117-V143 VanDerWaalsContact CE2-CG1 3.5Å; F117-V143 HydrophobicContact CG-CG1 4.34Å; Y139-V143 HydrophobicContact CD1-CG2 4.46Å; Y139-V143 PolarHBondContact O-N 3.15Å; V143-A145 HydrophobicContact CG1-CB 4.01Å; V143-A145 PolarHBondContact O-N 3.25Å
144E95.8Very high94.5Very high96 Ų9672.6 Ų72.645%0.44938%0.382SS..  trans-73.792168.6-174.2-177.1171.400108.8R85 L115 E116 F117R85-E144 IonicContact NH1-OE2 3.62Å; R85-E144 PolarHBondContact NH1-OE2 2.98Å; R85-E144 VanDerWaalsContact NH1-OE2 3.09Å; L115-E144 WeakPolarHBondContact O-CB 2.88Å; E116-E144 CarbonylContact C-O 3.47Å; E116-E144 VanDerWaalsContact CA-O 3.25Å; E116-E144 WeakPolarHBondContact CA-O 3.38Å; E116-E144 HydrophobicContact CB-CB 4.42Å; E116-E144 HydrophobicContact CB-CG 3.92Å; F117-E144 PolarHBondContact N-O 3.4Å
145A96.2Very high94.6Very high33 Ų3368 Ų6827%0.27337%0.371SS..EExtended strand (participates in β ladder)trans-133.9141.4-178.100000112F117 F119 L136 V143F117-A145 HydrophobicContact CB-CB 3.96Å; F117-A145 CarbonylContact O-C 3.5Å; F117-A145 VanDerWaalsContact O-CA 3.32Å; F117-A145 WeakPolarHBondContact O-CA 3.49Å; F119-A145 HydrophobicContact CE2-CB 4.44Å; L136-A145 HydrophobicContact CD1-CB 3.83Å; L136-A145 HydrophobicContact CD2-CB 3.54Å; L136-A145 HydrophobicContact CG-CB 4.25Å; V143-A145 HydrophobicContact CG1-CB 4.01Å; V143-A145 PolarHBondContact O-N 3.25Å
146K95.5Very high94.8Very high83 Ų8367.3 Ų67.336%0.36137%0.367SS..EExtended strand (participates in β ladder)trans-141.9148.8177.667.9-160.3-175.2-146.80111.8E116 F117 F119 V148 K169E116-K146 IonicContact OE2-NZ 3.88Å; E116-K146 PolarHBondContact OE2-NZ 3.49Å; F117-K146 PolarHBondContact O-N 2.83Å; F119-K146 PolarHBondContact N-O 3.4Å; K146-V148 HydrophobicContact CG-CG2 4.18Å; K146-K169 PolarHBondContact NZ-O 3Å; K146-K169 VanDerWaalsContact NZ-O 3.11Å
147V97.7Very high94.9Very high38 Ų3866.4 Ų66.423%0.2336%0.363CS..EExtended strand (participates in β ladder)trans-95.6124.8172.5-167.80000108.4F119 V121 Y129 V132 L136F119-V147 CarbonylContact O-C 3.51Å; F119-V147 WeakPolarHBondContact O-CA 3.32Å; V121-V147 HydrophobicContact CG2-CG1 4.23Å; Y129-V147 HydrophobicContact CD2-CB 4.48Å; Y129-V147 HydrophobicContact CD2-CG1 3.52Å; Y129-V147 HydrophobicContact CE2-CB 4.23Å; Y129-V147 HydrophobicContact CE2-CG1 3.69Å; V132-V147 HydrophobicContact CG1-CG1 4.12Å; V132-V147 HydrophobicContact CG1-CG2 3.7Å; L136-V147 HydrophobicContact CD1-CG2 3.86Å
148V98.3Very high95.1Very high17 Ų1763 Ų6310%0.10334%0.339CS..EExtended strand (participates in β ladder)trans-111128.5-179.4-179.90000108.9L118 F119 V120 V121 K146 I165 K169L118-V148 HydrophobicContact CD2-CG2 4.27Å; F119-V148 PolarHBondContact O-N 3.33Å; V120-V148 WeakPolarHBondContact CA-O 3.35Å; V120-V148 HydrophobicContact CG1-CB 4.33Å; V120-V148 HydrophobicContact CG1-CG1 4.38Å; V120-V148 HydrophobicContact CG2-CB 4.29Å; V121-V148 PolarHBondContact N-O 2.91Å; K146-V148 HydrophobicContact CG-CG2 4.18Å; V148-I165 HydrophobicContact CG1-CG2 3.91Å; V148-K169 HydrophobicContact CG1-CG 4.05Å; V148-K169 HydrophobicContact CG2-CB 4.49Å
149V98.4Very high95.3Very high73 Ų7357.4 Ų57.444%0.44231%0.31SS..EExtended strand (participates in β ladder)trans-92.8111.9172.1-179.20000108.4V121 T124 Y129V121-V149 HydrophobicContact CG2-CG2 4.1Å; V121-V149 WeakPolarHBondContact O-CA 3.4Å; T124-V149 HydrophobicContact CG2-CG2 4.14Å; Y129-V149 HydrophobicContact CE2-CG2 4.24Å
150A98.2Very high95.6Very high16 Ų1655.4 Ų55.413%0.13230%0.302CS..  trans-83.7-18.8-177.500000114.1V120 V121 H161 N162 I165V120-A150 HydrophobicContact CG1-CB 3.57Å; V121-A150 PolarHBondContact O-N 3.4Å; A150-H161 PolarHBondContact O-NE2 3.2Å; A150-N162 WeakPolarHBondContact CB-OD1 3.48Å; A150-I165 HydrophobicContact CB-CB 3.8Å; A150-I165 HydrophobicContact CB-CG1 3.75Å; A150-I165 HydrophobicContact CB-CG2 3.97Å
151G97.3Very high96.2Very high26 Ų2650.1 Ų50.127%0.26828%0.277SS..  trans73.1-173.5-167.700000112.2E122 Q158 H161E122-G151 CarbonylContact O-C 3.5Å; E122-G151 WeakPolarHBondContact O-CA 3.45Å; E122-G151 PolarHBondContact O-N 3.08Å; E122-G151 VanDerWaalsContact O-N 3.14Å; G151-Q158 PolarHBondContact O-NE2 2.94Å; G151-H161 PolarHBondContact O-CD2 3Å
152L96.8Very high96.7Very high93 Ų9343 Ų4349%0.48724%0.24SC..  trans-86.1134.9-174.8-58.5-177.8000111.6E122E122-L152 HydrophobicContact CB-CD2 4.19Å; E122-L152 HydrophobicContact CG-CD2 4.31Å
153S97.3Very high97.2Very high0 Ų035.9 Ų35.90%021%0.206CC..  trans-67.6145.1171.178.80000112.1C156 I471 R473S153-C156 VanDerWaalsContact CB-O 3.28Å; S153-C156 WeakPolarHBondContact CB-O 3.44Å; S153-C156 PolarHBondContact OG-O 2.9Å; S153-I471 WeakPolarHBondContact OG-CD1 3.4Å; S153-R473 VanDerWaalsContact N-NH2 3.11Å; S153-R473 PolarHBondContact O-NH1 3.35Å; S153-R473 VanDerWaalsContact O-NH1 3.11Å; S153-R473 PolarHBondContact O-NH2 3.3Å; S153-R473 PolarHBondContact OG-NH2 2.7Å; S153-R473 VanDerWaalsContact OG-NH2 3.08Å
154T96.2Very high97.4Very high117 Ų11735 Ų3572%0.71820%0.201SC*.SBendtrans-122.5-28.5178.253.50000113.4
155T96.2Very high97.6Very high61 Ų6131.6 Ų31.637%0.37419%0.185SC..SBendtrans-114.7-18.7-174.665.60000114.4R268 G270T155-R268 WeakPolarHBondContact CB-O 3.46Å; T155-R268 PolarHBondContact OG1-O 2.96Å; T155-G270 WeakPolarHBondContact O-CA 3.49Å; T155-G270 PolarHBondContact O-N 3.34Å
156C98Very high97.7Very high1 Ų130 Ų301%0.00717%0.172CC..SBendtrans-141.2179.9-175.4580000110.9S153 I160 L267 G271 I471S153-C156 VanDerWaalsContact CB-O 3.28Å; S153-C156 WeakPolarHBondContact CB-O 3.44Å; S153-C156 PolarHBondContact OG-O 2.9Å; C156-I160 HydrophobicContact CB-CB 4.29Å; C156-I160 HydrophobicContact CB-CG2 4.02Å; C156-L267 WeakPolarHBondContact CB-O 3.36Å; C156-G271 CarbonylContact C-O 3.58Å; C156-G271 WeakPolarHBondContact CA-O 3.34Å; C156-G271 WeakPolarHBondContact CB-O 3.31Å; C156-I471 VanDerWaalsContact O-CD1 3.29Å; C156-I471 WeakPolarHBondContact O-CD1 3.49Å
157S97.6Very high97.8Very high0 Ų026.7 Ų26.70%016%0.159CC..  trans-61.2154.817573.40000110.9K159 I160 H161 G271 Y272 I468S157-K159 PolarHBondContact O-N 3.49Å; S157-I160 PolarHBondContact O-N 3.25Å; S157-I160 WeakPolarHBondContact OG-CG1 3.45Å; S157-I160 PolarHBondContact OG-N 2.86Å; S157-H161 PolarHBondContact O-N 2.9Å; S157-G271 PolarHBondContact N-O 3.46Å; S157-Y272 WeakPolarHBondContact CB-O 3.24Å; S157-Y272 PolarHBondContact OG-O 3.25Å; S157-I468 VanDerWaalsContact N-CD1 3.33Å
158Q97.1Very high97.8Very high6 Ų630.2 Ų30.23%0.02817%0.173CC..Hα-helixtrans-65.9-32.2-179.4-170.566.953.500110.8E122 G151 H161 N162 I459 Y461E122-Q158 HydrophobicContact CB-CG 4.1Å; G151-Q158 PolarHBondContact O-NE2 2.94Å; Q158-H161 PolarHBondContact O-N 3.23Å; Q158-N162 PolarHBondContact NE2-OD1 3.42Å; Q158-N162 WeakPolarHBondContact O-CB 3.43Å; Q158-N162 PolarHBondContact O-N 3.4Å; Q158-N162 PolarHBondContact O-OD1 3.42Å; Q158-I459 HydrophobicContact CB-CD1 3.59Å; Q158-I459 HydrophobicContact CG-CD1 3.93Å; Q158-Y461 VanDerWaalsContact CB-OH 3.28Å; Q158-Y461 WeakPolarHBondContact CB-OH 3.34Å; Q158-Y461 PolarHBondContact N-OH 3.49Å
159K97.1Very high97.8Very high25 Ų2535.2 Ų35.211%0.10919%0.193CC..Hα-helixtrans-59.2-53.2173.6-172.5-174.8-178.1-166.10111P91 S157 H161 N162 Q163 D181 G246 D274 W456P91-K159 HydrophobicContact CB-CG 4.07Å; P91-K159 HydrophobicContact CG-CG 3.81Å; S157-K159 PolarHBondContact O-N 3.49Å; K159-H161 PolarHBondContact O-N 3.25Å; K159-N162 PolarHBondContact O-N 3.27Å; K159-Q163 WeakPolarHBondContact O-CG 3.15Å; K159-Q163 PolarHBondContact O-N 2.82Å; K159-D181 WeakPolarHBondContact CE-OD1 3.37Å; K159-D181 IonicContact NZ-OD1 2.72Å; K159-D181 PolarHBondContact NZ-OD1 3.24Å; K159-D181 IonicContact NZ-OD2 3.47Å; K159-G246 PolarHBondContact NZ-O 3.32Å; K159-G246 VanDerWaalsContact NZ-O 3.09Å; K159-D274 VanDerWaalsContact CE-OD2 3.25Å; K159-D274 WeakPolarHBondContact CE-OD2 3.42Å; K159-D274 IonicContact NZ-OD1 2.7Å; K159-D274 PolarHBondContact NZ-OD1 3.33Å; K159-D274 IonicContact NZ-OD2 2.9Å; K159-D274 PolarHBondContact NZ-OD2 3.1Å; K159-W456 HydrophobicContact CB-CH2 3.53Å; K159-W456 HydrophobicContact CB-CZ2 4.28Å; K159-W456 HydrophobicContact CB-CZ3 4.13Å; K159-W456 HydrophobicContact CD-CH2 3.66Å; K159-W456 HydrophobicContact CD-CZ2 4.12Å; K159-W456 HydrophobicContact CG-CH2 4.17Å
160I98.3Very high97.8Very high0 Ų032.7 Ų32.70%018%0.177CC..Hα-helixtrans-61.4-45.1179-72.1170.1000110.9C156 S157 N162 Q163 L164 L267 G271 D274C156-I160 HydrophobicContact CB-CB 4.29Å; C156-I160 HydrophobicContact CB-CG2 4.02Å; S157-I160 PolarHBondContact O-N 3.25Å; S157-I160 WeakPolarHBondContact OG-CG1 3.45Å; S157-I160 PolarHBondContact OG-N 2.86Å; I160-N162 VanDerWaalsContact C-N 3.33Å; I160-N162 PolarHBondContact O-N 3.08Å; I160-Q163 WeakPolarHBondContact O-CB 3.34Å; I160-Q163 PolarHBondContact O-N 3.23Å; I160-Q163 VanDerWaalsContact O-N 3.15Å; I160-L164 HydrophobicContact CG2-CD1 4.01Å; I160-L164 HydrophobicContact CG2-CG 4.22Å; I160-L164 WeakPolarHBondContact O-CG 3.37Å; I160-L164 PolarHBondContact O-N 2.88Å; I160-L267 HydrophobicContact CD1-CD2 3.93Å; I160-L267 HydrophobicContact CG1-CD2 4.18Å; I160-L267 HydrophobicContact CG2-CB 3.78Å; I160-L267 HydrophobicContact CG2-CD2 4.31Å; I160-G271 WeakPolarHBondContact CD1-O 3.43Å; I160-D274 HydrophobicContact CD1-CB 4.43Å; I160-D274 HydrophobicContact CG1-CB 3.98Å
161H98.5Very high97.8Very high35 Ų3534.4 Ų34.416%0.16218%0.182CC..Hα-helixtrans-56.8-47.4176.8-178.778000111.8A150 G151 S157 Q158 K159 Q163 L164 I165A150-H161 PolarHBondContact O-NE2 3.2Å; G151-H161 PolarHBondContact O-CD2 3Å; S157-H161 PolarHBondContact O-N 2.9Å; Q158-H161 PolarHBondContact O-N 3.23Å; K159-H161 PolarHBondContact O-N 3.25Å; H161-Q163 VanDerWaalsContact C-N 3.34Å; H161-Q163 PolarHBondContact O-N 3.47Å; H161-L164 PolarHBondContact O-N 3.42Å; H161-I165 WeakPolarHBondContact O-CG1 3.45Å; H161-I165 PolarHBondContact O-N 2.7Å
162N98.4Very high97.8Very high2 Ų241 Ų411%0.01120%0.204CC..Hα-helixtrans-62.2-40.5176.8-71.612.2000111.7P91 L92 V120 A150 Q158 K159 I160 G166P91-N162 HydrophobicContact CB-CB 3.7Å; L92-N162 PolarHBondContact O-ND2 2.84Å; V120-N162 HydrophobicContact CB-CB 4.01Å; V120-N162 HydrophobicContact CG1-CB 3.73Å; V120-N162 WeakPolarHBondContact CG1-O 3.38Å; V120-N162 PolarHBondContact O-ND2 2.92Å; A150-N162 WeakPolarHBondContact CB-OD1 3.48Å; Q158-N162 PolarHBondContact NE2-OD1 3.42Å; Q158-N162 WeakPolarHBondContact O-CB 3.43Å; Q158-N162 PolarHBondContact O-N 3.4Å; Q158-N162 PolarHBondContact O-OD1 3.42Å; K159-N162 PolarHBondContact O-N 3.27Å; I160-N162 VanDerWaalsContact C-N 3.33Å; I160-N162 PolarHBondContact O-N 3.08Å; N162-G166 PolarHBondContact O-N 3.26Å
163Q98.6Very high97.9Very high5 Ų541.4 Ų41.42%0.02321%0.206CC..Hα-helixtrans-61.1-47.8174.9-72.5171.7-25.700111.7P91 K159 I160 H161 I165 G166 V167 F179 D274P91-Q163 HydrophobicContact CB-CG 4.13Å; P91-Q163 HydrophobicContact CG-CG 3.76Å; K159-Q163 WeakPolarHBondContact O-CG 3.15Å; K159-Q163 PolarHBondContact O-N 2.82Å; I160-Q163 WeakPolarHBondContact O-CB 3.34Å; I160-Q163 PolarHBondContact O-N 3.23Å; I160-Q163 VanDerWaalsContact O-N 3.15Å; H161-Q163 VanDerWaalsContact C-N 3.34Å; H161-Q163 PolarHBondContact O-N 3.47Å; Q163-I165 PolarHBondContact O-N 2.79Å; Q163-G166 PolarHBondContact O-N 2.86Å; Q163-G166 VanDerWaalsContact O-N 3.17Å; Q163-V167 WeakPolarHBondContact O-CG2 3.45Å; Q163-V167 PolarHBondContact O-N 2.87Å; Q163-F179 HydrophobicContact CB-CD1 3.95Å; Q163-F179 HydrophobicContact CB-CE1 3.75Å; Q163-F179 HydrophobicContact CG-CD1 3.7Å; Q163-F179 HydrophobicContact CG-CE1 4.06Å; Q163-D274 PolarHBondContact NE2-OD2 2.91Å; Q163-D274 PolarHBondContact OE1-OD2 3.49Å
164L98.6Very high98Very high7 Ų741.5 Ų41.54%0.03721%0.207CC..Hα-helixtrans-63.6-42179.9-67-179.9000111.9I160 H161 G166 V167 E168 F256 V264 L267 R268I160-L164 HydrophobicContact CG2-CD1 4.01Å; I160-L164 HydrophobicContact CG2-CG 4.22Å; I160-L164 WeakPolarHBondContact O-CG 3.37Å; I160-L164 PolarHBondContact O-N 2.88Å; H161-L164 PolarHBondContact O-N 3.42Å; L164-G166 VanDerWaalsContact C-N 3.33Å; L164-V167 WeakPolarHBondContact O-CB 3.36Å; L164-V167 PolarHBondContact O-N 3.35Å; L164-E168 WeakPolarHBondContact O-CG 3.31Å; L164-E168 PolarHBondContact O-N 3.33Å; L164-F256 HydrophobicContact CD2-CD1 4.4Å; L164-V264 HydrophobicContact CD2-CG1 4.25Å; L164-V264 HydrophobicContact CD2-CG2 4.4Å; L164-L267 HydrophobicContact CD1-CB 4.47Å; L164-L267 HydrophobicContact CD2-CD1 4.27Å; L164-R268 HydrophobicContact CD1-CB 4.08Å
165I98.6Very high98.1Very high25 Ų2540.1 Ų40.113%0.12819%0.191CC..Hα-helixtrans-65.4-38.6173.9-62.5-56.8000111.3V148 A150 H161 Q163 V167 E168 K169V148-I165 HydrophobicContact CG1-CG2 3.91Å; A150-I165 HydrophobicContact CB-CB 3.8Å; A150-I165 HydrophobicContact CB-CG1 3.75Å; A150-I165 HydrophobicContact CB-CG2 3.97Å; H161-I165 WeakPolarHBondContact O-CG1 3.45Å; H161-I165 PolarHBondContact O-N 2.7Å; Q163-I165 PolarHBondContact O-N 2.79Å; I165-V167 VanDerWaalsContact C-N 3.3Å; I165-V167 PolarHBondContact O-N 3.45Å; I165-E168 WeakPolarHBondContact CD1-OE2 3.39Å; I165-E168 PolarHBondContact O-N 3.43Å; I165-K169 HydrophobicContact CG2-CG 4.37Å; I165-K169 WeakPolarHBondContact O-CG 3.5Å; I165-K169 PolarHBondContact O-N 3.17Å
166G98.6Very high98.2Very high0 Ų037.3 Ų37.30%017%0.174CC..Hα-helixtrans-58-4417400000112N162 Q163 L164 K169 M170N162-G166 PolarHBondContact O-N 3.26Å; Q163-G166 PolarHBondContact O-N 2.86Å; Q163-G166 VanDerWaalsContact O-N 3.17Å; L164-G166 VanDerWaalsContact C-N 3.33Å; G166-K169 CarbonylContact O-C 3.49Å; G166-K169 PolarHBondContact O-N 3.41Å; G166-M170 PolarHBondContact O-N 2.66Å
167V98.4Very high98.3Very high14 Ų1437.3 Ų37.39%0.08517%0.173CC..Hα-helixtrans-63.2-43.2174.5170.30000111.9Q163 L164 I165 K169 M170 V177 F179 F256Q163-V167 WeakPolarHBondContact O-CG2 3.45Å; Q163-V167 PolarHBondContact O-N 2.87Å; L164-V167 WeakPolarHBondContact O-CB 3.36Å; L164-V167 PolarHBondContact O-N 3.35Å; I165-V167 VanDerWaalsContact C-N 3.3Å; I165-V167 PolarHBondContact O-N 3.45Å; V167-K169 PolarHBondContact O-N 3.25Å; V167-M170 HydrophobicContact CG1-CE 3.76Å; V167-M170 HydrophobicContact CG1-SD 4.2Å; V167-M170 WeakPolarHBondContact O-CG 3.46Å; V167-M170 PolarHBondContact O-N 2.85Å; V167-V177 HydrophobicContact CG2-CG2 4.25Å; V167-F179 HydrophobicContact CG2-CE1 3.74Å; V167-F179 HydrophobicContact CG2-CZ 3.54Å; V167-F256 HydrophobicContact CG1-CB 3.49Å; V167-F256 VanDerWaalsContact CG1-CB 3.49Å; V167-F256 HydrophobicContact CG1-CD1 4.12Å; V167-F256 HydrophobicContact CG1-CG 3.91Å; V167-F256 HydrophobicContact CG2-CD1 4.01Å; V167-F256 HydrophobicContact CG2-CE1 4.35Å; V167-F256 HydrophobicContact CG2-CG 4.21Å
168E98.1Very high98.3Very high112 Ų11237.3 Ų37.352%0.52317%0.173SC..Hα-helixtrans-61.8-25.7176-72.2175.1-169.200112.7L164 I165 R268L164-E168 WeakPolarHBondContact O-CG 3.31Å; L164-E168 PolarHBondContact O-N 3.33Å; I165-E168 WeakPolarHBondContact CD1-OE2 3.39Å; I165-E168 PolarHBondContact O-N 3.43Å; E168-R268 IonicContact OE1-NH2 2.7Å; E168-R268 PolarHBondContact OE1-NH2 3.2Å
169K98.4Very high98.4Very high121 Ų12137.1 Ų37.153%0.52617%0.172SC..THydrogen-bonded Turntrans-100.31-179.9-62.7-58.8-177.4-173.50114.4L118 K146 V148 I165 G166 V167L118-K169 HydrophobicContact CD2-CB 3.87Å; K146-K169 PolarHBondContact NZ-O 3Å; K146-K169 VanDerWaalsContact NZ-O 3.11Å; V148-K169 HydrophobicContact CG1-CG 4.05Å; V148-K169 HydrophobicContact CG2-CB 4.49Å; I165-K169 HydrophobicContact CG2-CG 4.37Å; I165-K169 WeakPolarHBondContact O-CG 3.5Å; I165-K169 PolarHBondContact O-N 3.17Å; G166-K169 CarbonylContact O-C 3.49Å; G166-K169 PolarHBondContact O-N 3.41Å; V167-K169 PolarHBondContact O-N 3.25Å
170M98.1Very high98.4Very high20 Ų2036 Ų3610%0.09917%0.168CC..SBendtrans-67.6154.1177.384.3-172.5156.800110.7E116 G166 V167 T174 V177 A253 R257E116-M170 VanDerWaalsContact OE1-CA 3.3Å; E116-M170 WeakPolarHBondContact OE1-CA 3.17Å; G166-M170 PolarHBondContact O-N 2.66Å; V167-M170 HydrophobicContact CG1-CE 3.76Å; V167-M170 HydrophobicContact CG1-SD 4.2Å; V167-M170 WeakPolarHBondContact O-CG 3.46Å; V167-M170 PolarHBondContact O-N 2.85Å; M170-T174 HydrophobicContact SD-CG2 4.19Å; M170-V177 HydrophobicContact SD-CB 4.48Å; M170-A253 HydrophobicContact CE-CB 3.85Å; M170-A253 HydrophobicContact SD-CB 4.04Å; M170-R257 HydrophobicContact CE-CG 3.68Å
171H98.3Very high98.2Very high53 Ų5337.3 Ų37.325%0.24518%0.175CC..  trans-59.8140.8179.7-168.1-83.8000110.2R85 E116 D173 T174 R257R85-H171 WeakPolarHBondContact CD-ND1 3.43Å; R85-H171 PolarHBondContact NE-ND1 3.33Å; E116-H171 WeakPolarHBondContact OE1-CB 3.24Å; E116-H171 PolarHBondContact OE1-N 3.15Å; H171-D173 IonicContact CE1-OD2 2.69Å; H171-D173 PolarHBondContact CE1-OD2 3.4Å; H171-D173 VanDerWaalsContact CE1-OD2 3.23Å; H171-D173 PolarHBondContact ND1-N 2.91Å; H171-D173 VanDerWaalsContact ND1-N 3.17Å; H171-D173 IonicContact ND1-OD2 3.16Å; H171-D173 PolarHBondContact O-N 3.38Å; H171-T174 VanDerWaalsContact O-CB 3.27Å; H171-T174 WeakPolarHBondContact O-CB 3.33Å; H171-T174 PolarHBondContact O-N 3.31Å; H171-T174 VanDerWaalsContact O-N 3.08Å; H171-T174 PolarHBondContact O-OG1 3.16Å; H171-T174 VanDerWaalsContact O-OG1 3.1Å; H171-R257 PolarHBondContact O-NH2 2.95Å
172K97.8Very high97.9Very high164 Ų16436.8 Ų36.871%0.71317%0.173SC*.THydrogen-bonded Turntrans-58.9-32.3-176.858.4170-170.6175.70113.3T174 R257K172-T174 VanDerWaalsContact C-N 3.34Å; K172-R257 PolarHBondContact O-NH2 2.82Å
173D98Very high97.5Very high102 Ų10238.6 Ų38.655%0.54518%0.183SC..THydrogen-bonded Turntrans-91.45.2-177.8-54.4-33.2000113.2H171 K175H171-D173 IonicContact CE1-OD2 2.69Å; H171-D173 PolarHBondContact CE1-OD2 3.4Å; H171-D173 VanDerWaalsContact CE1-OD2 3.23Å; H171-D173 PolarHBondContact ND1-N 2.91Å; H171-D173 VanDerWaalsContact ND1-N 3.17Å; H171-D173 IonicContact ND1-OD2 3.16Å; H171-D173 PolarHBondContact O-N 3.38Å; D173-K175 PolarHBondContact O-N 3.16Å
174T98.7Very high97.3Very high2 Ų238.3 Ų38.31%0.01218%0.181CC..  trans-62.1126.3176.3-65.50000110.4S87 M170 H171 K172 Y176 A253 R257S87-T174 WeakPolarHBondContact OG-CB 3.31Å; S87-T174 WeakPolarHBondContact OG-CG2 3.49Å; S87-T174 PolarHBondContact OG-OG1 3.01Å; M170-T174 HydrophobicContact SD-CG2 4.19Å; H171-T174 VanDerWaalsContact O-CB 3.27Å; H171-T174 WeakPolarHBondContact O-CB 3.33Å; H171-T174 PolarHBondContact O-N 3.31Å; H171-T174 VanDerWaalsContact O-N 3.08Å; H171-T174 PolarHBondContact O-OG1 3.16Å; H171-T174 VanDerWaalsContact O-OG1 3.1Å; K172-T174 VanDerWaalsContact C-N 3.34Å; T174-Y176 WeakPolarHBondContact CG2-O 2.99Å; T174-A253 HydrophobicContact CG2-CB 4.11Å; T174-A253 VanDerWaalsContact O-CB 3.31Å; T174-A253 WeakPolarHBondContact O-CB 3.47Å; T174-R257 PolarHBondContact O-NH1 3Å; T174-R257 PolarHBondContact O-NH2 3.27Å
175K98.7Very high97.1Very high88 Ų8839.3 Ų39.338%0.38319%0.185SC..  trans-90.4-43.1175.7-170.5179.8-177.2179.80111.2P84 R85 D173 E199 A253P84-K175 HydrophobicContact CB-CB 3.85Å; P84-K175 HydrophobicContact CB-CD 3.52Å; P84-K175 HydrophobicContact CB-CG 4.28Å; P84-K175 HydrophobicContact CG-CD 4.27Å; R85-K175 PolarHBondContact O-N 3.2Å; D173-K175 PolarHBondContact O-N 3.16Å; K175-E199 WeakPolarHBondContact CD-OE1 3.24Å; K175-E199 VanDerWaalsContact CE-OE1 3.29Å; K175-E199 WeakPolarHBondContact CE-OE1 3.18Å; K175-E199 IonicContact NZ-OE1 3.3Å; K175-E199 PolarHBondContact NZ-OE1 3.39Å; K175-E199 IonicContact NZ-OE2 3.55Å; K175-E199 PolarHBondContact NZ-OE2 3.07Å; K175-A253 WeakPolarHBondContact O-CB 3.06Å; K175-A253 PolarHBondContact O-N 2.7Å
176Y98.8Very high97Very high2 Ų238.7 Ų38.71%0.00818%0.181CC..EExtended strand (participates in β ladder)trans-123.3140.8179.4-56.8-62.8000111.5P84 R85 V86 S87 T174 T195 M198 E199 M250 M251 H252P84-Y176 HydrophobicContact CB-CD2 4.42Å; P84-Y176 HydrophobicContact CB-CE2 4.37Å; P84-Y176 HydrophobicContact CG-CD2 3.94Å; P84-Y176 HydrophobicContact CG-CE2 3.81Å; R85-Y176 PolarHBondContact O-N 2.82Å; V86-Y176 WeakPolarHBondContact CA-O 3.24Å; S87-Y176 PolarHBondContact N-O 2.99Å; T174-Y176 WeakPolarHBondContact CG2-O 2.99Å; Y176-T195 HydrophobicContact CD2-CG2 4.21Å; Y176-T195 HydrophobicContact CE2-CG2 4.17Å; Y176-M198 HydrophobicContact CD1-CB 4.32Å; Y176-M198 HydrophobicContact CD1-CE 3.73Å; Y176-M198 HydrophobicContact CD1-CG 4.35Å; Y176-M198 HydrophobicContact CD2-CB 4.47Å; Y176-M198 HydrophobicContact CE1-CB 3.74Å; Y176-M198 HydrophobicContact CE1-CE 3.56Å; Y176-M198 HydrophobicContact CE1-CG 4.18Å; Y176-M198 HydrophobicContact CE2-CB 3.89Å; Y176-M198 PolarHBondContact OH-O 3.13Å; Y176-E199 HydrophobicContact CE2-CG 4.45Å; Y176-E199 WeakPolarHBondContact CE2-OE1 3.45Å; Y176-E199 PolarHBondContact OH-OE1 3.39Å; Y176-E199 VanDerWaalsContact OH-OE1 3.05Å; Y176-M250 HydrophobicContact CG-SD 4.47Å; Y176-M251 CarbonylContact C-O 3.54Å; Y176-M251 VanDerWaalsContact CA-O 3.28Å; Y176-M251 WeakPolarHBondContact CA-O 3.4Å; Y176-H252 AromaticContact CE1-CE1 3.62Å; Y176-H252 AromaticContact CE1-ND1 3.58Å
177V98.8Very high96.8Very high0 Ų039.1 Ų39.10%018%0.183CC..EExtended strand (participates in β ladder)trans-106.8134.6170.459.30000108.9S87 V89 V167 M170 F179 M250 M251 F256S87-V177 CarbonylContact O-C 3.41Å; S87-V177 WeakPolarHBondContact O-CA 3.17Å; V89-V177 HydrophobicContact CB-CG2 4.49Å; V89-V177 HydrophobicContact CG2-CG2 3.86Å; V167-V177 HydrophobicContact CG2-CG2 4.25Å; M170-V177 HydrophobicContact SD-CB 4.48Å; V177-F179 HydrophobicContact CG1-CE2 3.83Å; V177-F179 HydrophobicContact CG1-CZ 4.04Å; V177-F179 HydrophobicContact CG2-CE1 4.03Å; V177-F179 HydrophobicContact CG2-CE2 4.03Å; V177-F179 HydrophobicContact CG2-CZ 3.74Å; V177-M250 CarbonylContact O-C 3.6Å; V177-M250 WeakPolarHBondContact O-CA 3.37Å; V177-M251 HydrophobicContact CG1-CB 4.21Å; V177-M251 PolarHBondContact N-O 2.95Å; V177-M251 PolarHBondContact O-N 2.72Å; V177-F256 HydrophobicContact CG1-CD2 3.83Å; V177-F256 HydrophobicContact CG1-CE2 3.71Å
178L98.8Very high96.7Very high0 Ų039.4 Ų39.40%019%0.186CC..EExtended strand (participates in β ladder)trans-115.7115.4175.9173.160.7000109.3V86 S87 V88 V89 L180 I191 L194 M249 M250V86-L178 HydrophobicContact CG1-CB 4.15Å; S87-L178 PolarHBondContact O-N 2.97Å; V88-L178 CarbonylContact C-O 3.57Å; V88-L178 VanDerWaalsContact CA-O 3.31Å; V88-L178 WeakPolarHBondContact CA-O 3.36Å; V88-L178 HydrophobicContact CG1-CD2 4.42Å; V88-L178 HydrophobicContact CG1-CG 4.44Å; V88-L178 HydrophobicContact CG2-CB 4.39Å; V88-L178 HydrophobicContact CG2-CD2 4.26Å; V89-L178 PolarHBondContact N-O 2.96Å; L178-L180 HydrophobicContact CD1-CD2 3.96Å; L178-L180 HydrophobicContact CD1-CG 4.4Å; L178-L180 HydrophobicContact CD2-CD1 4.17Å; L178-L180 HydrophobicContact CD2-CD2 4.17Å; L178-L180 HydrophobicContact CD2-CG 4.2Å; L178-L180 HydrophobicContact CG-CD1 4.42Å; L178-L180 HydrophobicContact CG-CD2 4.03Å; L178-L180 HydrophobicContact CG-CG 3.96Å; L178-I191 HydrophobicContact CD2-CD1 4.37Å; L178-I191 HydrophobicContact CD2-CG1 3.86Å; L178-L194 HydrophobicContact CD1-CD1 3.94Å; L178-L194 HydrophobicContact CD2-CD1 4.4Å; L178-M249 CarbonylContact C-O 3.58Å; L178-M249 WeakPolarHBondContact CA-O 3.25Å; L178-M250 HydrophobicContact CB-CE 4.15Å; L178-M250 HydrophobicContact CD1-CB 4.1Å; L178-M250 HydrophobicContact CD1-CE 4.49Å; L178-M250 HydrophobicContact CD2-CE 4.29Å
179F98.6Very high96.6Very high3 Ų334.4 Ų34.41%0.01316%0.164CC..EExtended strand (participates in β ladder)trans-89.6133.9170.4-55.2-79.1000110.2V89 Q163 V167 V177 C248 M249 M251 F256V89-F179 HydrophobicContact CB-CD1 3.77Å; V89-F179 HydrophobicContact CB-CE1 3.96Å; V89-F179 HydrophobicContact CG1-CD1 3.94Å; V89-F179 HydrophobicContact CG1-CE1 4.03Å; V89-F179 HydrophobicContact CG2-CE1 4.38Å; V89-F179 WeakPolarHBondContact O-CA 3.27Å; Q163-F179 HydrophobicContact CB-CD1 3.95Å; Q163-F179 HydrophobicContact CB-CE1 3.75Å; Q163-F179 HydrophobicContact CG-CD1 3.7Å; Q163-F179 HydrophobicContact CG-CE1 4.06Å; V167-F179 HydrophobicContact CG2-CE1 3.74Å; V167-F179 HydrophobicContact CG2-CZ 3.54Å; V177-F179 HydrophobicContact CG1-CE2 3.83Å; V177-F179 HydrophobicContact CG1-CZ 4.04Å; V177-F179 HydrophobicContact CG2-CE1 4.03Å; V177-F179 HydrophobicContact CG2-CE2 4.03Å; V177-F179 HydrophobicContact CG2-CZ 3.74Å; F179-C248 CarbonylContact O-C 3.59Å; F179-C248 VanDerWaalsContact O-CA 3.31Å; F179-C248 WeakPolarHBondContact O-CA 3.18Å; F179-M249 HydrophobicContact CB-CB 4.27Å; F179-M249 HydrophobicContact CB-CE 4.18Å; F179-M249 HydrophobicContact CD2-CB 4.21Å; F179-M249 HydrophobicContact CD2-CE 4.42Å; F179-M249 PolarHBondContact N-O 3.08Å; F179-M249 PolarHBondContact O-N 2.88Å; F179-M251 HydrophobicContact CE2-SD 4.44Å; F179-F256 HydrophobicContact CE2-CE1 4.17Å; F179-F256 AromaticContact CE2-CE2 3.7Å; F179-F256 HydrophobicContact CE2-CE2 3.7Å; F179-F256 AromaticContact CE2-CZ 3.35Å; F179-F256 HydrophobicContact CE2-CZ 3.35Å; F179-F256 AromaticContact CZ-CE1 3.8Å; F179-F256 HydrophobicContact CZ-CE1 3.8Å; F179-F256 AromaticContact CZ-CE2 3.93Å; F179-F256 HydrophobicContact CZ-CE2 3.93Å; F179-F256 AromaticContact CZ-CZ 3.44Å; F179-F256 HydrophobicContact CZ-CZ 3.44Å; F179-F256 VanDerWaalsContact CZ-CZ 3.44Å
180L98Very high96.6Very high1 Ų128.7 Ų28.71%0.00514%0.139CC..EExtended strand (participates in β ladder)trans-131.2136.9177.4-64.1175.2000111V88 V89 M90 Q106 L178 L186 G247 C248V88-L180 HydrophobicContact CG1-CD1 3.53Å; V88-L180 HydrophobicContact CG1-CG 4.09Å; V89-L180 PolarHBondContact O-N 2.66Å; V89-L180 VanDerWaalsContact O-N 3.16Å; M90-L180 HydrophobicContact CG-CB 3.94Å; Q106-L180 HydrophobicContact CB-CD1 4.44Å; Q106-L180 HydrophobicContact CG-CD1 4.13Å; L178-L180 HydrophobicContact CD1-CD2 3.96Å; L178-L180 HydrophobicContact CD1-CG 4.4Å; L178-L180 HydrophobicContact CD2-CD1 4.17Å; L178-L180 HydrophobicContact CD2-CD2 4.17Å; L178-L180 HydrophobicContact CD2-CG 4.2Å; L178-L180 HydrophobicContact CG-CD1 4.42Å; L178-L180 HydrophobicContact CG-CD2 4.03Å; L178-L180 HydrophobicContact CG-CG 3.96Å; L180-L186 HydrophobicContact CD1-CD1 4.32Å; L180-L186 HydrophobicContact CD1-CD2 3.51Å; L180-L186 HydrophobicContact CD2-CD1 4.21Å; L180-L186 HydrophobicContact CD2-CD2 4.09Å; L180-L186 HydrophobicContact CG-CD2 4.47Å; L180-G247 WeakPolarHBondContact CA-O 3.45Å; L180-C248 HydrophobicContact CD2-CB 4.06Å
181D94.5Very high96.6Very high28 Ų2827.8 Ų27.815%0.1514%0.135CC..  trans-71.4157.1163.8-78.1-6.5000110.1Q106 K159 D183 G247Q106-D181 PolarHBondContact NE2-O 3.27Å; K159-D181 WeakPolarHBondContact CE-OD1 3.37Å; K159-D181 IonicContact NZ-OD1 2.72Å; K159-D181 PolarHBondContact NZ-OD1 3.24Å; K159-D181 IonicContact NZ-OD2 3.47Å; D181-D183 VanDerWaalsContact C-N 3.32Å; D181-D183 WeakPolarHBondContact CB-OD1 3.28Å; D181-G247 PolarHBondContact N-O 3.24Å; D181-G247 WeakPolarHBondContact OD2-CA 3.3Å
182D91Very high96.5Very high24 Ų2425.4 Ų25.413%0.12813%0.125CC..SBendtrans-87-1.4-174.671.2-34.1000114.1L92 N99 N102L92-D182 HydrophobicContact CD2-CB 3.61Å; N99-D182 VanDerWaalsContact ND2-CG 3.33Å; N99-D182 PolarHBondContact ND2-O 2.71Å; N99-D182 PolarHBondContact ND2-OD2 3.09Å; N102-D182 WeakPolarHBondContact CB-O 3.38Å; N102-D182 PolarHBondContact ND2-O 3.21Å
183D90.2Very high96.4Very high39 Ų3918.7 Ų18.721%0.20910%0.099CC..SBendtrans-104.3-5.5-170.459.29.8000114.2N102 D181 H299N102-D183 VanDerWaalsContact ND2-CA 3.26Å; N102-D183 WeakPolarHBondContact ND2-CA 3.39Å; N102-D183 PolarHBondContact ND2-O 2.77Å; D181-D183 VanDerWaalsContact C-N 3.32Å; D181-D183 WeakPolarHBondContact CB-OD1 3.28Å; D183-H299 PolarHBondContact O-CD2 2.99Å; D183-H299 VanDerWaalsContact O-CD2 3.3Å; D183-H299 IonicContact OD2-NE2 2.95Å
184V93.9Very high96.4Very high0 Ų013.9 Ų13.90%07%0.074CC..  trans-106.9152-179.2-63.80000114.9N102 Q106 L186 P211 W245 F297 H299N102-V184 WeakPolarHBondContact CB-O 3.02Å; Q106-V184 PolarHBondContact NE2-O 3.49Å; V184-L186 HydrophobicContact CG2-CD1 3.87Å; V184-P211 HydrophobicContact CG1-CB 4.3Å; V184-W245 HydrophobicContact CB-CH2 4.28Å; V184-W245 HydrophobicContact CG1-CH2 3.51Å; V184-W245 HydrophobicContact CG1-CZ2 3.73Å; V184-W245 HydrophobicContact CG2-CH2 4.05Å; V184-F297 HydrophobicContact CB-CB 3.91Å; V184-F297 HydrophobicContact CG1-CB 4.34Å; V184-F297 HydrophobicContact CG2-CB 4.41Å; V184-H299 HydrophobicContact CG1-CB 4.12Å
185R94.9Very high96.4Very high28 Ų2813.8 Ų13.811%0.1067%0.073CC..PPolyproline II helixtrans-96.3121.3172.9-66-175.4-72.5173.8-6.4111.3H101 N102 S105 P298H101-R185 VanDerWaalsContact CD2-CD 3.41Å; H101-R185 WeakPolarHBondContact CD2-CD 3.13Å; H101-R185 WeakPolarHBondContact NE2-CD 3.11Å; N102-R185 WeakPolarHBondContact OD1-CG 3.36Å; S105-R185 WeakPolarHBondContact OG-CA 3.4Å; R185-P298 HydrophobicContact CB-CB 4.39Å; R185-P298 PolarHBondContact N-O 3.43Å; R185-P298 WeakPolarHBondContact O-CD 3.47Å
186L95.9Very high96.2Very high11 Ų1111.5 Ų11.56%0.0587%0.067CC..PPolyproline II helixtrans-84.1153.2174.8-89.261.7000110.7S105 Q106 L180 V184 T190 F297S105-L186 PolarHBondContact OG-N 2.9Å; S105-L186 VanDerWaalsContact OG-N 3.11Å; Q106-L186 HydrophobicContact CG-CD1 3.87Å; Q106-L186 HydrophobicContact CG-CD2 4.29Å; Q106-L186 HydrophobicContact CG-CG 4.44Å; L180-L186 HydrophobicContact CD1-CD1 4.32Å; L180-L186 HydrophobicContact CD1-CD2 3.51Å; L180-L186 HydrophobicContact CD2-CD1 4.21Å; L180-L186 HydrophobicContact CD2-CD2 4.09Å; L180-L186 HydrophobicContact CG-CD2 4.47Å; V184-L186 HydrophobicContact CG2-CD1 3.87Å; L186-T190 HydrophobicContact CD2-CG2 4Å; L186-T190 HydrophobicContact CG-CG2 4.08Å; L186-F297 HydrophobicContact CD1-CD1 4.36Å; L186-F297 HydrophobicContact CG-CD1 4.34Å; L186-F297 HydrophobicContact CG-CE1 4.28Å
187H95.9Very high96.1Very high9 Ų914.7 Ų14.74%0.0428%0.082CC..PPolyproline II helixtrans-90.6154.2165.569.993.1000109.7G189 T190 V294 L413 S414H187-G189 PolarHBondContact ND1-N 3.08Å; H187-G189 PolarHBondContact O-N 2.83Å; H187-T190 PolarHBondContact CD2-OG1 3.49Å; H187-T190 VanDerWaalsContact CE1-CA 3.48Å; H187-T190 WeakPolarHBondContact CE1-CA 3.38Å; H187-T190 PolarHBondContact CE1-N 3.08Å; H187-T190 PolarHBondContact N-OG1 2.88Å; H187-T190 VanDerWaalsContact N-OG1 3.16Å; H187-T190 PolarHBondContact ND1-N 3.17Å; H187-T190 PolarHBondContact NE2-OG1 3.02Å; H187-T190 WeakPolarHBondContact O-CB 3.47Å; H187-T190 PolarHBondContact O-N 3.15Å; H187-T190 PolarHBondContact O-OG1 2.97Å; H187-V294 PolarHBondContact NE2-O 3.31Å; H187-L413 HydrophobicContact CB-CB 3.73Å; H187-S414 VanDerWaalsContact CA-OG 3.31Å; H187-S414 WeakPolarHBondContact CA-OG 3.28Å; H187-S414 WeakPolarHBondContact CB-OG 3.4Å
188P96.1Very high96Very high21 Ų2114.7 Ų14.714%0.1368%0.082CC..THydrogen-bonded Turntrans-59.1-29.9-171.9-25.534.5000114L68 S109 L110 L413L68-P188 HydrophobicContact CD2-CB 4.16Å; S109-P188 PolarHBondContact OG-O 2.74Å; S109-P188 VanDerWaalsContact OG-O 3.09Å; L110-P188 HydrophobicContact CB-CB 4.17Å; L110-P188 HydrophobicContact CD1-CB 3.75Å; L110-P188 HydrophobicContact CG-CB 3.77Å; L110-P188 PolarHBondContact N-O 3.36Å; P188-L413 WeakPolarHBondContact CD-O 3.21Å
189G96.3Very high95.9Very high6 Ų618.2 Ų18.26%0.06210%0.098CC..THydrogen-bonded Turntrans-87.63.517800000116.2H187 I191 G192 A193H187-G189 PolarHBondContact ND1-N 3.08Å; H187-G189 PolarHBondContact O-N 2.83Å; G189-I191 PolarHBondContact O-N 3.33Å; G189-G192 PolarHBondContact O-N 3.3Å; G189-A193 WeakPolarHBondContact O-CB 3.29Å; G189-A193 PolarHBondContact O-N 2.97Å
190T97.4Very high95.8Very high2 Ų224.8 Ų24.81%0.01213%0.127CC..Hα-helixtrans-54.8-51.8-173.2-62.30000112L186 H187 G192 A193 L194 F297L186-T190 HydrophobicContact CD2-CG2 4Å; L186-T190 HydrophobicContact CG-CG2 4.08Å; H187-T190 PolarHBondContact CD2-OG1 3.49Å; H187-T190 VanDerWaalsContact CE1-CA 3.48Å; H187-T190 WeakPolarHBondContact CE1-CA 3.38Å; H187-T190 PolarHBondContact CE1-N 3.08Å; H187-T190 PolarHBondContact N-OG1 2.88Å; H187-T190 VanDerWaalsContact N-OG1 3.16Å; H187-T190 PolarHBondContact ND1-N 3.17Å; H187-T190 PolarHBondContact NE2-OG1 3.02Å; H187-T190 WeakPolarHBondContact O-CB 3.47Å; H187-T190 PolarHBondContact O-N 3.15Å; H187-T190 PolarHBondContact O-OG1 2.97Å; T190-G192 PolarHBondContact O-N 3.36Å; T190-A193 PolarHBondContact O-N 2.76Å; T190-L194 HydrophobicContact CG2-CD1 3.88Å; T190-L194 HydrophobicContact CG2-CG 4.49Å; T190-L194 WeakPolarHBondContact O-CG 3.28Å; T190-L194 PolarHBondContact O-N 3.47Å; T190-F297 HydrophobicContact CG2-CE1 3.55Å; T190-F297 HydrophobicContact CG2-CZ 3.61Å; T190-F297 WeakPolarHBondContact OG1-CE1 3.17Å
191I97.9Very high95.7Very high1 Ų127.3 Ų27.31%0.00514%0.14CC..Hα-helixtrans-64.2-45.3-175.8-57.7179.4000110.1V86 V88 Y111 L115 F117 L178 G189 A193 L194 T195 M250V86-I191 HydrophobicContact CB-CG2 4.28Å; V86-I191 HydrophobicContact CG1-CG2 4.16Å; V86-I191 HydrophobicContact CG2-CG2 4.14Å; V88-I191 HydrophobicContact CG2-CD1 3.89Å; Y111-I191 HydrophobicContact CD1-CG2 4.21Å; Y111-I191 HydrophobicContact CD2-CG2 4.19Å; Y111-I191 HydrophobicContact CE2-CG2 4.5Å; Y111-I191 HydrophobicContact CG-CB 4.37Å; Y111-I191 HydrophobicContact CG-CG2 4Å; L115-I191 HydrophobicContact CD1-CD1 4.02Å; L115-I191 HydrophobicContact CD2-CD1 4.01Å; L115-I191 HydrophobicContact CD2-CG2 4.09Å; F117-I191 HydrophobicContact CE1-CD1 4.45Å; L178-I191 HydrophobicContact CD2-CD1 4.37Å; L178-I191 HydrophobicContact CD2-CG1 3.86Å; G189-I191 PolarHBondContact O-N 3.33Å; I191-A193 VanDerWaalsContact C-N 3.34Å; I191-A193 PolarHBondContact O-N 3.07Å; I191-L194 PolarHBondContact O-N 3.18Å; I191-T195 WeakPolarHBondContact O-CB 3.48Å; I191-T195 PolarHBondContact O-N 2.93Å; I191-T195 PolarHBondContact O-OG1 3.08Å; I191-T195 VanDerWaalsContact O-OG1 3.04Å; I191-M250 HydrophobicContact CG2-CE 4.21Å
192G96.7Very high95.8Very high3 Ų330 Ų303%0.03116%0.159CC..Hα-helixtrans-60.6-40.5176.800000113.2G189 T190 T196G189-G192 PolarHBondContact O-N 3.3Å; T190-G192 PolarHBondContact O-N 3.36Å; G192-T196 VanDerWaalsContact O-CB 3.24Å; G192-T196 WeakPolarHBondContact O-CB 2.89Å; G192-T196 PolarHBondContact O-N 3.47Å; G192-T196 PolarHBondContact O-OG1 2.77Å
193A95.9Very high96.1Very high22 Ų2235 Ų3518%0.18218%0.182CC..Hα-helixtrans-64.3-43.9176.800000112.2G189 T190 I191 E197 V294G189-A193 WeakPolarHBondContact O-CB 3.29Å; G189-A193 PolarHBondContact O-N 2.97Å; T190-A193 PolarHBondContact O-N 2.76Å; I191-A193 VanDerWaalsContact C-N 3.34Å; I191-A193 PolarHBondContact O-N 3.07Å; A193-E197 WeakPolarHBondContact O-CG 3.35Å; A193-E197 PolarHBondContact O-N 3.11Å; A193-V294 HydrophobicContact CB-CG2 3.72Å
194L97.5Very high96.5Very high2 Ų233.3 Ų33.31%0.0117%0.173CC..Hα-helixtrans-65.3-52.9176-64.9167.9000110.5L178 T190 I191 T196 E197 M198 Q207 M250 P292L178-L194 HydrophobicContact CD1-CD1 3.94Å; L178-L194 HydrophobicContact CD2-CD1 4.4Å; T190-L194 HydrophobicContact CG2-CD1 3.88Å; T190-L194 HydrophobicContact CG2-CG 4.49Å; T190-L194 WeakPolarHBondContact O-CG 3.28Å; T190-L194 PolarHBondContact O-N 3.47Å; I191-L194 PolarHBondContact O-N 3.18Å; L194-T196 VanDerWaalsContact C-N 3.27Å; L194-T196 PolarHBondContact O-N 2.85Å; L194-E197 PolarHBondContact O-N 2.86Å; L194-M198 PolarHBondContact O-N 2.92Å; L194-Q207 VanDerWaalsContact C-OE1 3.3Å; L194-Q207 HydrophobicContact CD2-CB 3.87Å; L194-Q207 PolarHBondContact O-OE1 2.97Å; L194-M250 HydrophobicContact CB-CB 4.42Å; L194-M250 HydrophobicContact CB-CE 3.52Å; L194-M250 HydrophobicContact CB-SD 3.57Å; L194-M250 VanDerWaalsContact CB-SD 3.57Å; L194-M250 HydrophobicContact CD1-CB 4.42Å; L194-M250 HydrophobicContact CD1-CE 4.05Å; L194-M250 HydrophobicContact CG-CE 4.44Å; L194-P292 HydrophobicContact CD2-CG 4.01Å
195T97.7Very high96.7Very high0 Ų033.3 Ų33.30%017%0.173CC..Hα-helixtrans-57.6-40-179.7-59.50000112.6P84 Y111 Y176 I191 E197 M198 E199P84-T195 HydrophobicContact CG-CG2 3.38Å; Y111-T195 HydrophobicContact CE2-CG2 4.12Å; Y176-T195 HydrophobicContact CD2-CG2 4.21Å; Y176-T195 HydrophobicContact CE2-CG2 4.17Å; I191-T195 WeakPolarHBondContact O-CB 3.48Å; I191-T195 PolarHBondContact O-N 2.93Å; I191-T195 PolarHBondContact O-OG1 3.08Å; I191-T195 VanDerWaalsContact O-OG1 3.04Å; T195-E197 VanDerWaalsContact C-N 3.27Å; T195-E197 PolarHBondContact O-N 3.46Å; T195-M198 PolarHBondContact O-N 2.88Å; T195-E199 HydrophobicContact CG2-CG 4.2Å; T195-E199 WeakPolarHBondContact O-CG 3.48Å; T195-E199 PolarHBondContact O-N 2.92Å
196T95.6Very high96.9Very high40 Ų4032 Ų3225%0.24517%0.168CC..Hα-helixtrans-58-41.1177-63.60000111.7G192 L194 K200G192-T196 VanDerWaalsContact O-CB 3.24Å; G192-T196 WeakPolarHBondContact O-CB 2.89Å; G192-T196 PolarHBondContact O-N 3.47Å; G192-T196 PolarHBondContact O-OG1 2.77Å; L194-T196 VanDerWaalsContact C-N 3.27Å; L194-T196 PolarHBondContact O-N 2.85Å; T196-K200 HydrophobicContact CG2-CD 4.27Å; T196-K200 VanDerWaalsContact CG2-CE 3.49Å; T196-K200 WeakPolarHBondContact O-CB 3.49Å; T196-K200 VanDerWaalsContact O-CG 3.24Å; T196-K200 WeakPolarHBondContact O-CG 3.45Å; T196-K200 PolarHBondContact O-N 3.47Å; T196-K200 VanDerWaalsContact O-N 3.08Å
197E95.8Very high96.9Very high68 Ų6831.5 Ų31.532%0.31817%0.165SC..Hα-helixtrans-73.6-38.3178.4-65.6-56.4121.100112.1A193 L194 T195 E199 K200 N201 I204 P292A193-E197 WeakPolarHBondContact O-CG 3.35Å; A193-E197 PolarHBondContact O-N 3.11Å; L194-E197 PolarHBondContact O-N 2.86Å; T195-E197 VanDerWaalsContact C-N 3.27Å; T195-E197 PolarHBondContact O-N 3.46Å; E197-E199 VanDerWaalsContact C-N 3.34Å; E197-E199 PolarHBondContact O-N 2.92Å; E197-K200 PolarHBondContact O-N 3.46Å; E197-K200 IonicContact OE1-NZ 3.12Å; E197-K200 PolarHBondContact OE1-NZ 3.21Å; E197-N201 PolarHBondContact O-N 2.69Å; E197-I204 HydrophobicContact CB-CD1 4.49Å; E197-I204 WeakPolarHBondContact O-CD1 3.39Å; E197-P292 HydrophobicContact CG-CG 4.25Å
198M97.6Very high97Very high0 Ų031 Ų310%016%0.163CC..Hα-helixtrans-60.9-38.9172.6-66.6-61.5-74.500113.1Y176 L194 T195 N201 I204 Q207 M250 H252Y176-M198 HydrophobicContact CD1-CB 4.32Å; Y176-M198 HydrophobicContact CD1-CE 3.73Å; Y176-M198 HydrophobicContact CD1-CG 4.35Å; Y176-M198 HydrophobicContact CD2-CB 4.47Å; Y176-M198 HydrophobicContact CE1-CB 3.74Å; Y176-M198 HydrophobicContact CE1-CE 3.56Å; Y176-M198 HydrophobicContact CE1-CG 4.18Å; Y176-M198 HydrophobicContact CE2-CB 3.89Å; Y176-M198 PolarHBondContact OH-O 3.13Å; L194-M198 PolarHBondContact O-N 2.92Å; T195-M198 PolarHBondContact O-N 2.88Å; M198-N201 CarbonylContact O-C 3.59Å; M198-N201 VanDerWaalsContact O-C 3.31Å; M198-I204 HydrophobicContact CE-CG2 4.41Å; M198-I204 HydrophobicContact SD-CB 3.88Å; M198-I204 HydrophobicContact SD-CG2 3.48Å; M198-I204 WeakPolarHBondContact SD-CG2 3.18Å; M198-Q207 HydrophobicContact CG-CG 4.3Å; M198-Q207 VanDerWaalsContact CG-OE1 3.31Å; M198-Q207 HydrophobicContact SD-CG 3.56Å; M198-Q207 VanDerWaalsContact SD-CG 3.56Å; M198-M250 HydrophobicContact CG-CG 4.14Å; M198-M250 HydrophobicContact CG-SD 3.74Å; M198-H252 WeakPolarHBondContact CE-NE2 3.49Å
199E96.8Very high97Very high75 Ų7530 Ų3035%0.3516%0.156SC..Hα-helixtrans-72.2-38.5177.4-70.4-63.3140.200111.8P84 K175 Y176 T195 E197 N201P84-E199 WeakPolarHBondContact CG-OE1 3.45Å; K175-E199 WeakPolarHBondContact CD-OE1 3.24Å; K175-E199 VanDerWaalsContact CE-OE1 3.29Å; K175-E199 WeakPolarHBondContact CE-OE1 3.18Å; K175-E199 IonicContact NZ-OE1 3.3Å; K175-E199 PolarHBondContact NZ-OE1 3.39Å; K175-E199 IonicContact NZ-OE2 3.55Å; K175-E199 PolarHBondContact NZ-OE2 3.07Å; Y176-E199 HydrophobicContact CE2-CG 4.45Å; Y176-E199 WeakPolarHBondContact CE2-OE1 3.45Å; Y176-E199 PolarHBondContact OH-OE1 3.39Å; Y176-E199 VanDerWaalsContact OH-OE1 3.05Å; T195-E199 HydrophobicContact CG2-CG 4.2Å; T195-E199 WeakPolarHBondContact O-CG 3.48Å; T195-E199 PolarHBondContact O-N 2.92Å; E197-E199 VanDerWaalsContact C-N 3.34Å; E197-E199 PolarHBondContact O-N 2.92Å; E199-N201 VanDerWaalsContact C-N 3.32Å; E199-N201 PolarHBondContact O-N 3.37Å
200K95.8Very high96.9Very high141 Ų14129.9 Ų29.961%0.61315%0.154SC*.Hα-helixtrans-64.4-36.9176.1-77.2171.8-172.2167.80112.3T196 E197T196-K200 HydrophobicContact CG2-CD 4.27Å; T196-K200 VanDerWaalsContact CG2-CE 3.49Å; T196-K200 WeakPolarHBondContact O-CB 3.49Å; T196-K200 VanDerWaalsContact O-CG 3.24Å; T196-K200 WeakPolarHBondContact O-CG 3.45Å; T196-K200 PolarHBondContact O-N 3.47Å; T196-K200 VanDerWaalsContact O-N 3.08Å; E197-K200 PolarHBondContact O-N 3.46Å; E197-K200 IonicContact OE1-NZ 3.12Å; E197-K200 PolarHBondContact OE1-NZ 3.21Å
201N97.3Very high96.9Very high53 Ų5329.9 Ų29.928%0.28315%0.154SC..  trans-13692.2-179.3-174.32000112E197 M198 E199 E203 I204 L288E197-N201 PolarHBondContact O-N 2.69Å; M198-N201 CarbonylContact O-C 3.59Å; M198-N201 VanDerWaalsContact O-C 3.31Å; E199-N201 VanDerWaalsContact C-N 3.32Å; E199-N201 PolarHBondContact O-N 3.37Å; N201-E203 PolarHBondContact O-N 3.16Å; N201-E203 VanDerWaalsContact OD1-CB 3.24Å; N201-E203 WeakPolarHBondContact OD1-CB 3.45Å; N201-E203 PolarHBondContact OD1-N 3.38Å; N201-I204 HydrophobicContact CB-CD1 3.9Å; N201-I204 HydrophobicContact CB-CG1 3.99Å; N201-I204 WeakPolarHBondContact O-CB 3.37Å; N201-I204 VanDerWaalsContact O-CG1 3.27Å; N201-I204 WeakPolarHBondContact O-CG1 3.5Å; N201-I204 PolarHBondContact O-N 2.89Å; N201-I204 VanDerWaalsContact O-N 3.11Å; N201-L288 WeakPolarHBondContact ND2-CD2 3.42Å
202P96Very high96.8Very high84 Ų8429.9 Ų29.955%0.54515%0.154SC..THydrogen-bonded Turntrans-64.8-6.4175.7-22.334.3000115.1I204 H252P202-I204 VanDerWaalsContact C-N 3.28Å; P202-H252 PolarHBondContact O-NE2 2.93Å
203E96.9Very high96.8Very high130 Ų13029.8 Ų29.861%0.60715%0.153SC*.THydrogen-bonded Turntrans-78.6-14.4173.4-56.5-171.2150.500112.9N201 F205 R287N201-E203 PolarHBondContact O-N 3.16Å; N201-E203 VanDerWaalsContact OD1-CB 3.24Å; N201-E203 WeakPolarHBondContact OD1-CB 3.45Å; N201-E203 PolarHBondContact OD1-N 3.38Å; E203-F205 PolarHBondContact O-N 3.45Å; E203-F205 VanDerWaalsContact O-N 3.13Å; E203-R287 PolarHBondContact O-NH2 3.04Å
204I98.2Very high96.7Very high4 Ų430 Ų302%0.02115%0.151CC..EExtended strand (participates in β ladder)trans-61.4117174.6-63.7172.6000108.4E197 M198 N201 P202 Q207 H252 L288 T290E197-I204 HydrophobicContact CB-CD1 4.49Å; E197-I204 WeakPolarHBondContact O-CD1 3.39Å; M198-I204 HydrophobicContact CE-CG2 4.41Å; M198-I204 HydrophobicContact SD-CB 3.88Å; M198-I204 HydrophobicContact SD-CG2 3.48Å; M198-I204 WeakPolarHBondContact SD-CG2 3.18Å; N201-I204 HydrophobicContact CB-CD1 3.9Å; N201-I204 HydrophobicContact CB-CG1 3.99Å; N201-I204 WeakPolarHBondContact O-CB 3.37Å; N201-I204 VanDerWaalsContact O-CG1 3.27Å; N201-I204 WeakPolarHBondContact O-CG1 3.5Å; N201-I204 PolarHBondContact O-N 2.89Å; N201-I204 VanDerWaalsContact O-N 3.11Å; P202-I204 VanDerWaalsContact C-N 3.28Å; I204-Q207 HydrophobicContact CG2-CG 3.49Å; I204-Q207 VanDerWaalsContact CG2-CG 3.49Å; I204-H252 PolarHBondContact O-CD2 2.98Å; I204-H252 PolarHBondContact O-NE2 2.67Å; I204-L288 HydrophobicContact CG1-CD2 3.78Å; I204-L288 HydrophobicContact CG1-CG 4.36Å; I204-T290 HydrophobicContact CD1-CG2 4.07Å; I204-T290 HydrophobicContact CG1-CG2 3.93Å; I204-T290 HydrophobicContact CG2-CG2 4.42Å
205F98.3Very high96.5Very high0 Ų030.5 Ų30.50%015%0.154CC..EExtended strand (participates in β ladder)trans-82.9-39.1176.9169.4-113.4000111.7E203 M251 D255 Y261 V263 A282 R287 L288E203-F205 PolarHBondContact O-N 3.45Å; E203-F205 VanDerWaalsContact O-N 3.13Å; F205-M251 HydrophobicContact CD2-CE 4.22Å; F205-M251 HydrophobicContact CE1-CE 3.98Å; F205-M251 HydrophobicContact CE2-CE 3.65Å; F205-M251 HydrophobicContact CZ-CE 3.52Å; F205-D255 WeakPolarHBondContact CD2-OD2 3.41Å; F205-Y261 HydrophobicContact CD2-CD2 4.1Å; F205-Y261 HydrophobicContact CD2-CE2 4.11Å; F205-Y261 AromaticContact CE2-CD2 3.63Å; F205-Y261 HydrophobicContact CE2-CD2 3.63Å; F205-Y261 HydrophobicContact CE2-CE2 4.1Å; F205-V263 HydrophobicContact CE2-CG2 3.98Å; F205-V263 HydrophobicContact CZ-CG2 3.75Å; F205-A282 HydrophobicContact CD1-CB 3.74Å; F205-A282 HydrophobicContact CE1-CB 3.86Å; F205-R287 HydrophobicContact CB-CB 3.49Å; F205-R287 VanDerWaalsContact CB-CB 3.49Å; F205-R287 HydrophobicContact CB-CG 4.18Å; F205-R287 HydrophobicContact CD1-CB 3.87Å; F205-R287 HydrophobicContact CD1-CG 4.49Å; F205-R287 HydrophobicContact CD2-CB 4.37Å; F205-R287 HydrophobicContact CD2-CG 4.3Å; F205-R287 HydrophobicContact CG-CB 3.66Å; F205-R287 HydrophobicContact CG-CG 4.08Å; F205-L288 PolarHBondContact N-O 2.99Å
206I98.5Very high96.2Very high0 Ų032.8 Ų32.80%017%0.17CC..EExtended strand (participates in β ladder)trans-149136.5177.6-175.9160.8000110.6L244 M249 M250 M251 L278 L288 I289 T290I206-L244 HydrophobicContact CD1-CD1 3.71Å; I206-L244 HydrophobicContact CD1-CD2 3.74Å; I206-L244 HydrophobicContact CD1-CG 4.34Å; I206-L244 HydrophobicContact CG1-CD1 3.98Å; I206-L244 HydrophobicContact CG2-CD1 4.32Å; I206-L244 HydrophobicContact CG2-CD2 4.38Å; I206-M249 HydrophobicContact CD1-CB 3.71Å; I206-M249 HydrophobicContact CD1-CG 3.82Å; I206-M249 HydrophobicContact CD1-SD 3.74Å; I206-M249 HydrophobicContact CG1-CB 4.19Å; I206-M250 CarbonylContact C-O 3.45Å; I206-M250 VanDerWaalsContact CA-O 3.32Å; I206-M250 WeakPolarHBondContact CA-O 3.36Å; I206-M251 HydrophobicContact CB-CG 3.88Å; I206-M251 HydrophobicContact CB-SD 4.5Å; I206-M251 HydrophobicContact CD1-CG 3.75Å; I206-M251 HydrophobicContact CD1-SD 3.71Å; I206-M251 HydrophobicContact CG1-CG 3.7Å; I206-M251 HydrophobicContact CG1-SD 4.31Å; I206-L278 HydrophobicContact CD1-CD1 4.03Å; I206-L288 PolarHBondContact N-O 3.03Å; I206-I289 HydrophobicContact CG2-CB 4.15Å; I206-I289 HydrophobicContact CG2-CD1 4.4Å; I206-I289 HydrophobicContact CG2-CG1 3.69Å; I206-I289 HydrophobicContact CG2-CG2 4.04Å; I206-I289 WeakPolarHBondContact O-CA 3.34Å; I206-T290 PolarHBondContact O-N 3.26Å
207Q97.7Very high96Very high0 Ų032.7 Ų32.70%018%0.177CC..EExtended strand (participates in β ladder)trans-105.5144.6165.5-57.4-160-80.200110.9L194 M198 I204 M249 M250 T290 P292L194-Q207 VanDerWaalsContact C-OE1 3.3Å; L194-Q207 HydrophobicContact CD2-CB 3.87Å; L194-Q207 PolarHBondContact O-OE1 2.97Å; M198-Q207 HydrophobicContact CG-CG 4.3Å; M198-Q207 VanDerWaalsContact CG-OE1 3.31Å; M198-Q207 HydrophobicContact SD-CG 3.56Å; M198-Q207 VanDerWaalsContact SD-CG 3.56Å; I204-Q207 HydrophobicContact CG2-CG 3.49Å; I204-Q207 VanDerWaalsContact CG2-CG 3.49Å; Q207-M249 CarbonylContact O-C 3.57Å; Q207-M249 WeakPolarHBondContact O-CA 3.47Å; Q207-M250 HydrophobicContact CB-CB 4.28Å; Q207-M250 PolarHBondContact N-O 3.29Å; Q207-M250 PolarHBondContact O-N 3.4Å; Q207-T290 CarbonylContact C-O 3.51Å; Q207-T290 VanDerWaalsContact CA-O 3.24Å; Q207-T290 WeakPolarHBondContact CA-O 3.5Å; Q207-T290 WeakPolarHBondContact CG-OG1 3.39Å; Q207-T290 PolarHBondContact NE2-OG1 3.31Å; Q207-P292 VanDerWaalsContact NE2-CG 3.35Å
208T97.5Very high95.8Very high0 Ų031.3 Ų31.30%017%0.173CC..EExtended strand (participates in β ladder)trans-134.4178.3179.2-166.70000111.9F235 T241 L244 W245 C248 I289 T290 S291 P292T208-F235 HydrophobicContact CG2-CD1 3.87Å; T208-F235 HydrophobicContact CG2-CE1 3.62Å; T208-T241 HydrophobicContact CG2-CG2 4.48Å; T208-L244 HydrophobicContact CG2-CD1 3.97Å; T208-W245 PolarHBondContact OG1-N 3.1Å; T208-W245 PolarHBondContact OG1-O 2.93Å; T208-W245 VanDerWaalsContact OG1-O 3.05Å; T208-C248 WeakPolarHBondContact CA-O 3.46Å; T208-C248 WeakPolarHBondContact CB-O 3.34Å; T208-C248 PolarHBondContact OG1-O 3.24Å; T208-I289 HydrophobicContact CG2-CG2 4.4Å; T208-T290 PolarHBondContact N-O 2.58Å; T208-S291 WeakPolarHBondContact O-CA 3.2Å; T208-P292 WeakPolarHBondContact O-CD 3.39Å
209G95.4Very high95.7Very high0 Ų034.6 Ų34.60%019%0.191CC..  trans-138.7-159.8173.200000111.2F235 A295G209-F235 VanDerWaalsContact O-CD1 3.31Å; G209-F235 WeakPolarHBondContact O-CD1 3.48Å; G209-F235 WeakPolarHBondContact O-CE1 3.27Å; G209-A295 CarbonylContact C-O 3.5Å; G209-A295 WeakPolarHBondContact CA-O 3.46Å
210Y95.6Very high95.6Very high2 Ų231.5 Ų31.51%0.00818%0.179CC..EExtended strand (participates in β ladder)trans-138132-176.4176.7-114.7000111.4L212 H228 C231 F235 A295 V296 F297Y210-L212 PolarHBondContact O-N 3.3Å; Y210-H228 HydrophobicContact CE2-CB 4.43Å; Y210-H228 WeakPolarHBondContact CE2-O 3.41Å; Y210-H228 PolarHBondContact OH-O 2.9Å; Y210-C231 HydrophobicContact CE2-CB 4.31Å; Y210-F235 HydrophobicContact CD2-CB 4.38Å; Y210-F235 AromaticContact CD2-CD2 3.41Å; Y210-F235 HydrophobicContact CD2-CD2 3.41Å; Y210-F235 VanDerWaalsContact CD2-CD2 3.41Å; Y210-F235 AromaticContact CD2-CE2 3.99Å; Y210-F235 HydrophobicContact CD2-CE2 3.99Å; Y210-F235 HydrophobicContact CD2-CG 4.16Å; Y210-F235 HydrophobicContact CE2-CD2 4.25Å; Y210-F235 HydrophobicContact CG-CB 4.24Å; Y210-F235 HydrophobicContact CG-CD2 4.09Å; Y210-F235 HydrophobicContact CG-CG 4.41Å; Y210-A295 PolarHBondContact N-O 2.89Å; Y210-V296 HydrophobicContact CD1-CG2 4.15Å; Y210-V296 WeakPolarHBondContact O-CA 3.29Å; Y210-F297 PolarHBondContact O-N 3.49Å
211P96.1Very high95.5Very high3 Ų324.8 Ų24.82%0.01915%0.15CC..EExtended strand (participates in β ladder)trans-78.6117.7170.831.5-30.1000109.7V184 D213 W245 F297 H299V184-P211 HydrophobicContact CG1-CB 4.3Å; P211-D213 PolarHBondContact O-N 2.8Å; P211-W245 HydrophobicContact CB-CH2 4.11Å; P211-W245 HydrophobicContact CB-CZ2 3.68Å; P211-W245 HydrophobicContact CG-CD2 4.08Å; P211-W245 HydrophobicContact CG-CG 4.46Å; P211-W245 HydrophobicContact CG-CH2 4.46Å; P211-W245 HydrophobicContact CG-CZ2 3.8Å; P211-F297 CarbonylContact C-O 3.53Å; P211-F297 WeakPolarHBondContact CA-O 3.22Å; P211-H299 HydrophobicContact CB-CB 4.01Å
212L96.2Very high95.5Very high0 Ų022.4 Ų22.40%014%0.137CC..EExtended strand (participates in β ladder)trans-84.397.6168174.563.9000108.7Y210 L214 V296 F297 H299 T403 E406 V407Y210-L212 PolarHBondContact O-N 3.3Å; L212-L214 HydrophobicContact CD2-CD2 4.44Å; L212-L214 HydrophobicContact CG-CD2 4.28Å; L212-L214 PolarHBondContact O-N 2.95Å; L212-V296 HydrophobicContact CB-CG2 3.92Å; L212-F297 PolarHBondContact N-O 2.8Å; L212-H299 PolarHBondContact O-N 3.38Å; L212-T403 HydrophobicContact CD1-CG2 4.4Å; L212-E406 HydrophobicContact CD1-CB 4.25Å; L212-E406 HydrophobicContact CD2-CB 3.96Å; L212-V407 HydrophobicContact CD2-CG2 3.93Å
213D95.5Very high95.5Very high1 Ų118.4 Ų18.41%0.00511%0.111CC..EExtended strand (participates in β ladder)trans-62.2134.4178-64-40.1000111.7P211 P215 Y225 H228 H299 L301 Y425P211-D213 PolarHBondContact O-N 2.8Å; D213-P215 WeakPolarHBondContact O-CD 3.44Å; D213-Y225 HydrophobicContact CB-CD2 4.16Å; D213-H228 IonicContact OD1-ND1 2.7Å; D213-H228 PolarHBondContact OD1-ND1 3.04Å; D213-H228 WeakPolarHBondContact OD2-CB 3.24Å; D213-H228 IonicContact OD2-CE1 2.6Å; D213-H228 IonicContact OD2-CG 2.79Å; D213-H228 IonicContact OD2-ND1 3.4Å; D213-H228 PolarHBondContact OD2-ND1 3.11Å; D213-H299 WeakPolarHBondContact CA-O 3.42Å; D213-H299 IonicContact OD1-CE1 2.8Å; D213-H299 IonicContact OD1-CG 3.52Å; D213-H299 IonicContact OD1-ND1 3.56Å; D213-H299 PolarHBondContact OD1-ND1 3.37Å; D213-L301 HydrophobicContact CB-CD1 4.14Å; D213-L301 HydrophobicContact CB-CG 4.47Å; D213-Y425 PolarHBondContact O-OH 3.41Å
214L94.6Very high95.5Very high27 Ų2712.2 Ų12.214%0.1418%0.082CC..EExtended strand (participates in β ladder)trans-112.998.6173.9-50.9175.9000108.8L212 P298 H299 L301 L420L212-L214 HydrophobicContact CD2-CD2 4.44Å; L212-L214 HydrophobicContact CG-CD2 4.28Å; L212-L214 PolarHBondContact O-N 2.95Å; L214-P298 HydrophobicContact CD1-CB 4.07Å; L214-H299 PolarHBondContact N-O 3.44Å; L214-L301 PolarHBondContact O-N 3.15Å; L214-L301 VanDerWaalsContact O-N 3.17Å; L214-L420 HydrophobicContact CD1-CD1 4.48Å; L214-L420 HydrophobicContact CD1-CD2 3.89Å
215P94.5Very high95.4Very high12 Ų1212.1 Ų12.18%0.0788%0.082CC..  trans-57.6139.4178.4-26.536000112.6D213 G217 Y222 Y225 Y425D213-P215 WeakPolarHBondContact O-CD 3.44Å; P215-G217 VanDerWaalsContact C-N 3.33Å; P215-Y222 HydrophobicContact CB-CD1 3.6Å; P215-Y222 HydrophobicContact CB-CD2 4.48Å; P215-Y222 HydrophobicContact CB-CE1 3.47Å; P215-Y222 VanDerWaalsContact CB-CE1 3.47Å; P215-Y222 HydrophobicContact CB-CE2 4.36Å; P215-Y222 HydrophobicContact CB-CG 4.12Å; P215-Y222 HydrophobicContact CG-CD1 3.6Å; P215-Y222 HydrophobicContact CG-CE1 3.68Å; P215-Y222 HydrophobicContact CG-CG 4.42Å; P215-Y225 HydrophobicContact CG-CD1 4.19Å; P215-Y225 HydrophobicContact CG-CD2 4.28Å; P215-Y225 HydrophobicContact CG-CG 3.77Å; P215-Y425 VanDerWaalsContact CD-CZ 3.45Å; P215-Y425 VanDerWaalsContact CD-OH 3.24Å; P215-Y425 WeakPolarHBondContact CD-OH 3.39Å; P215-Y425 HydrophobicContact CG-CE1 4.08Å
216S90.7Very high95.3Very high49 Ų4912.5 Ų12.534%0.3438%0.083SC..  trans-88.7-0.3178.2600000113.9S221 L301 A302S216-S221 PolarHBondContact N-OG 3.07Å; S216-L301 WeakPolarHBondContact CB-O 3.43Å; S216-A302 WeakPolarHBondContact CB-O 3.42Å; S216-A302 PolarHBondContact OG-O 3.45Å
217G91.2Very high95.1Very high38 Ų3814.1 Ų14.139%0.3929%0.09SC..SBendtrans102.8-4.7179.500000114.7P215 S221P215-G217 VanDerWaalsContact C-N 3.33Å; G217-S221 PolarHBondContact N-OG 3.05Å
218T92.6Very high95Very high38 Ų3815.1 Ų15.123%0.2339%0.094CC..SBendtrans-84.6150.4173.766.30000111.1G220 S221 Y222T218-G220 VanDerWaalsContact C-N 3.29Å; T218-G220 PolarHBondContact O-N 2.85Å; T218-S221 PolarHBondContact N-OG 3.03Å; T218-S221 PolarHBondContact O-N 3.14Å; T218-S221 PolarHBondContact O-OG 3.4Å; T218-S221 WeakPolarHBondContact OG1-CB 3.31Å; T218-S221 PolarHBondContact OG1-N 3.17Å; T218-S221 PolarHBondContact OG1-OG 3.18Å; T218-Y222 VanDerWaalsContact O-CD2 3.24Å; T218-Y222 WeakPolarHBondContact O-CD2 3.47Å; T218-Y222 PolarHBondContact O-N 2.88Å; T218-Y222 VanDerWaalsContact O-N 3.16Å
219L94Very high94.9Very high69 Ų6915.1 Ų15.136%0.3619%0.094SC..Hα-helixtrans-55.1-45.2175.717962.8000111.6S221 Y222 C223 V432 A433L219-S221 VanDerWaalsContact C-N 3.27Å; L219-S221 PolarHBondContact O-N 3.05Å; L219-Y222 PolarHBondContact O-N 3.36Å; L219-C223 PolarHBondContact O-N 3.34Å; L219-C223 PolarHBondContact O-SG 3.47Å; L219-C223 VanDerWaalsContact O-SG 3.37Å; L219-V432 HydrophobicContact CD1-CB 4.47Å; L219-V432 HydrophobicContact CD1-CG1 3.99Å; L219-A433 HydrophobicContact CD1-CB 3.95Å
220G94.3Very high94.9Very high11 Ų1117 Ų1711%0.11311%0.107CC..Hα-helixtrans-59.6-36.4177.700000113T218 Y222 C223 I224 L305T218-G220 VanDerWaalsContact C-N 3.29Å; T218-G220 PolarHBondContact O-N 2.85Å; G220-Y222 VanDerWaalsContact C-N 3.33Å; G220-C223 PolarHBondContact O-N 3.23Å; G220-I224 WeakPolarHBondContact O-CG1 3.24Å; G220-I224 PolarHBondContact O-N 2.99Å; G220-I224 VanDerWaalsContact O-N 3.08Å; G220-L305 VanDerWaalsContact C-CD2 3.46Å
221S95.1Very high94.8Very high0 Ų018.4 Ų18.40%012%0.116CC..Hα-helixtrans-69-32.9176.969.70000112.3S216 G217 T218 L219 Y225 L301S216-S221 PolarHBondContact N-OG 3.07Å; G217-S221 PolarHBondContact N-OG 3.05Å; T218-S221 PolarHBondContact N-OG 3.03Å; T218-S221 PolarHBondContact O-N 3.14Å; T218-S221 PolarHBondContact O-OG 3.4Å; T218-S221 WeakPolarHBondContact OG1-CB 3.31Å; T218-S221 PolarHBondContact OG1-N 3.17Å; T218-S221 PolarHBondContact OG1-OG 3.18Å; L219-S221 VanDerWaalsContact C-N 3.27Å; L219-S221 PolarHBondContact O-N 3.05Å; S221-Y225 PolarHBondContact O-N 2.86Å; S221-Y225 VanDerWaalsContact O-N 3.15Å; S221-L301 VanDerWaalsContact O-CD1 3.25Å; S221-L301 WeakPolarHBondContact O-CD1 3.27Å
222Y96.5Very high94.6Very high2 Ų218.3 Ų18.31%0.00812%0.116CC..Hα-helixtrans-72.9-34.1172.3-73.2-67.5000112.3P215 T218 L219 G220 Y225 E226 T424 Y425 N426 L429 V430P215-Y222 HydrophobicContact CB-CD1 3.6Å; P215-Y222 HydrophobicContact CB-CD2 4.48Å; P215-Y222 HydrophobicContact CB-CE1 3.47Å; P215-Y222 VanDerWaalsContact CB-CE1 3.47Å; P215-Y222 HydrophobicContact CB-CE2 4.36Å; P215-Y222 HydrophobicContact CB-CG 4.12Å; P215-Y222 HydrophobicContact CG-CD1 3.6Å; P215-Y222 HydrophobicContact CG-CE1 3.68Å; P215-Y222 HydrophobicContact CG-CG 4.42Å; T218-Y222 VanDerWaalsContact O-CD2 3.24Å; T218-Y222 WeakPolarHBondContact O-CD2 3.47Å; T218-Y222 PolarHBondContact O-N 2.88Å; T218-Y222 VanDerWaalsContact O-N 3.16Å; L219-Y222 PolarHBondContact O-N 3.36Å; G220-Y222 VanDerWaalsContact C-N 3.33Å; Y222-Y225 HydrophobicContact CD1-CD1 4.45Å; Y222-Y225 PolarHBondContact O-N 3.33Å; Y222-E226 VanDerWaalsContact O-CB 3.29Å; Y222-E226 WeakPolarHBondContact O-CB 3.22Å; Y222-E226 PolarHBondContact O-N 3.18Å; Y222-T424 PolarHBondContact OH-O 3.4Å; Y222-Y425 HydrophobicContact CE1-CD1 4.33Å; Y222-Y425 WeakPolarHBondContact OH-CA 3.29Å; Y222-N426 HydrophobicContact CE2-CB 4.43Å; Y222-N426 PolarHBondContact OH-N 2.91Å; Y222-L429 HydrophobicContact CD2-CB 3.79Å; Y222-L429 HydrophobicContact CD2-CD1 4.27Å; Y222-L429 HydrophobicContact CE2-CB 3.93Å; Y222-L429 HydrophobicContact CE2-CD1 3.96Å; Y222-L429 HydrophobicContact CG-CB 4.44Å; Y222-V430 HydrophobicContact CD1-CG2 3.52Å; Y222-V430 HydrophobicContact CE1-CG2 3.72Å; Y222-V430 HydrophobicContact CG-CG2 4.41Å
223C97Very high94.5Very high1 Ų121 Ų211%0.00713%0.129CC..Hα-helixtrans-64.1-40.2174.1-66.20000111.4L219 G220 E226 Y227 Y310 D437L219-C223 PolarHBondContact O-N 3.34Å; L219-C223 PolarHBondContact O-SG 3.47Å; L219-C223 VanDerWaalsContact O-SG 3.37Å; G220-C223 PolarHBondContact O-N 3.23Å; C223-E226 PolarHBondContact O-N 3.47Å; C223-Y227 VanDerWaalsContact O-CB 3.27Å; C223-Y227 WeakPolarHBondContact O-CB 3.19Å; C223-Y227 PolarHBondContact O-N 2.7Å; C223-Y310 HydrophobicContact CB-CD2 3.92Å; C223-Y310 HydrophobicContact CB-CE1 4.49Å; C223-Y310 HydrophobicContact CB-CE2 3.27Å; C223-D437 HydrophobicContact CB-CB 4.01Å
224I95.9Very high94.4Very high0 Ų021.2 Ų21.20%013%0.132CC..Hα-helixtrans-62.6-49.4173.8-65.3177000111.1G220 E226 Y227 H228 L301 L305 Y310 Y313 L484G220-I224 WeakPolarHBondContact O-CG1 3.24Å; G220-I224 PolarHBondContact O-N 2.99Å; G220-I224 VanDerWaalsContact O-N 3.08Å; I224-E226 VanDerWaalsContact C-N 3.29Å; I224-E226 PolarHBondContact O-N 3.29Å; I224-Y227 WeakPolarHBondContact O-CB 3.32Å; I224-Y227 PolarHBondContact O-N 3.47Å; I224-H228 PolarHBondContact O-N 3.08Å; I224-H228 VanDerWaalsContact O-N 3.13Å; I224-L301 HydrophobicContact CB-CD1 3.94Å; I224-L301 HydrophobicContact CD1-CD2 4.47Å; I224-L301 HydrophobicContact CG2-CD1 3.93Å; I224-L301 HydrophobicContact CG2-CD2 4.02Å; I224-L305 HydrophobicContact CD1-CD2 3.61Å; I224-L305 HydrophobicContact CG1-CD2 4.49Å; I224-Y310 HydrophobicContact CG1-CD2 4.14Å; I224-Y313 HydrophobicContact CB-CE1 4.25Å; I224-Y313 HydrophobicContact CD1-CD1 4.02Å; I224-Y313 HydrophobicContact CD1-CD2 4.41Å; I224-Y313 HydrophobicContact CD1-CE1 4.31Å; I224-Y313 HydrophobicContact CD1-CG 4.08Å; I224-Y313 HydrophobicContact CG1-CD1 3.68Å; I224-Y313 HydrophobicContact CG1-CE1 3.68Å; I224-Y313 HydrophobicContact CG1-CG 4.26Å; I224-Y313 HydrophobicContact CG2-CE1 4.04Å; I224-Y313 HydrophobicContact CG2-CE2 4.36Å; I224-L484 HydrophobicContact CD1-CD2 3.48Å; I224-L484 VanDerWaalsContact CD1-CD2 3.48Å
225Y96.3Very high94.3Very high2 Ų220.3 Ų20.31%0.00813%0.127CC..Hα-helixtrans-56.6-44.8177.5161-102.4000111.7D213 P215 S221 Y222 H228 M229 M399 T403 Y425 V430D213-Y225 HydrophobicContact CB-CD2 4.16Å; P215-Y225 HydrophobicContact CG-CD1 4.19Å; P215-Y225 HydrophobicContact CG-CD2 4.28Å; P215-Y225 HydrophobicContact CG-CG 3.77Å; S221-Y225 PolarHBondContact O-N 2.86Å; S221-Y225 VanDerWaalsContact O-N 3.15Å; Y222-Y225 HydrophobicContact CD1-CD1 4.45Å; Y222-Y225 PolarHBondContact O-N 3.33Å; Y225-H228 PolarHBondContact O-N 3.11Å; Y225-M229 HydrophobicContact CD2-CG 4.15Å; Y225-M229 HydrophobicContact CE1-CG 4.38Å; Y225-M229 HydrophobicContact CE2-CG 3.78Å; Y225-M229 HydrophobicContact CE2-SD 3.82Å; Y225-M229 WeakPolarHBondContact O-CG 3.25Å; Y225-M229 PolarHBondContact O-N 3.19Å; Y225-M229 VanDerWaalsContact O-N 3.15Å; Y225-M399 HydrophobicContact CD1-CE 4.01Å; Y225-M399 HydrophobicContact CE1-CE 3.37Å; Y225-M399 HydrophobicContact CE1-SD 4.42Å; Y225-T403 HydrophobicContact CE2-CG2 4.06Å; Y225-T403 WeakPolarHBondContact OH-CB 3.47Å; Y225-T403 PolarHBondContact OH-OG1 3.41Å; Y225-Y425 HydrophobicContact CD2-CE1 4.4Å; Y225-Y425 HydrophobicContact CE1-CE1 4.21Å; Y225-Y425 AromaticContact CE2-CE1 3.96Å; Y225-Y425 HydrophobicContact CE2-CE1 3.96Å; Y225-Y425 AromaticContact CZ-CE1 3.85Å; Y225-V430 HydrophobicContact CE1-CG1 4.2Å; Y225-V430 HydrophobicContact CE1-CG2 4.23Å
226E95.6Very high94.2Very high7 Ų719.9 Ų19.93%0.03312%0.124CC..Hα-helixtrans-65.9-44.2177.9-171.8-85.816200112.5Y222 C223 I224 H228 M229 P230 M399 M434 D437 N438Y222-E226 VanDerWaalsContact O-CB 3.29Å; Y222-E226 WeakPolarHBondContact O-CB 3.22Å; Y222-E226 PolarHBondContact O-N 3.18Å; C223-E226 PolarHBondContact O-N 3.47Å; I224-E226 VanDerWaalsContact C-N 3.29Å; I224-E226 PolarHBondContact O-N 3.29Å; E226-H228 VanDerWaalsContact C-N 3.26Å; E226-H228 PolarHBondContact O-N 3.13Å; E226-M229 PolarHBondContact O-N 2.69Å; E226-P230 WeakPolarHBondContact O-CD 3.44Å; E226-M399 HydrophobicContact CB-CE 4.43Å; E226-M399 HydrophobicContact CG-CE 4.34Å; E226-M434 HydrophobicContact CB-CG 4.44Å; E226-M434 HydrophobicContact CG-CB 3.93Å; E226-M434 HydrophobicContact CG-CG 3.29Å; E226-D437 WeakPolarHBondContact OE2-CB 3.38Å; E226-N438 PolarHBondContact OE1-ND2 3.15Å
227Y95.7Very high94Very high34 Ų3420.8 Ų20.813%0.13313%0.127CC..Hα-helixtrans-53.9-41.9176.6174.4-97.1000112.6C223 I224 Y313 L314 Q317 Y441C223-Y227 VanDerWaalsContact O-CB 3.27Å; C223-Y227 WeakPolarHBondContact O-CB 3.19Å; C223-Y227 PolarHBondContact O-N 2.7Å; I224-Y227 WeakPolarHBondContact O-CB 3.32Å; I224-Y227 PolarHBondContact O-N 3.47Å; Y227-Y313 HydrophobicContact CD1-CE1 4.21Å; Y227-Y313 WeakPolarHBondContact CD1-OH 3.44Å; Y227-L314 HydrophobicContact CD2-CD1 4.31Å; Y227-L314 HydrophobicContact CE2-CD1 4.46Å; Y227-Q317 HydrophobicContact CD1-CG 4.29Å; Y227-Q317 HydrophobicContact CE1-CB 3.99Å; Y227-Q317 HydrophobicContact CE1-CG 3.58Å; Y227-Q317 HydrophobicContact CE2-CB 4.4Å; Y227-Q317 WeakPolarHBondContact OH-CB 3.24Å; Y227-Y441 HydrophobicContact CE2-CD2 4.03Å; Y227-Y441 HydrophobicContact CE2-CE2 4.01Å
228H95.2Very high93.5Very high22 Ų2221.1 Ų21.110%0.10213%0.131CC..Hα-helixtrans-82.3-18.1179.3-77.1164.5000114.3Y210 D213 I224 Y225 E226 C231 S232 Y313Y210-H228 HydrophobicContact CE2-CB 4.43Å; Y210-H228 WeakPolarHBondContact CE2-O 3.41Å; Y210-H228 PolarHBondContact OH-O 2.9Å; D213-H228 IonicContact OD1-ND1 2.7Å; D213-H228 PolarHBondContact OD1-ND1 3.04Å; D213-H228 WeakPolarHBondContact OD2-CB 3.24Å; D213-H228 IonicContact OD2-CE1 2.6Å; D213-H228 IonicContact OD2-CG 2.79Å; D213-H228 IonicContact OD2-ND1 3.4Å; D213-H228 PolarHBondContact OD2-ND1 3.11Å; I224-H228 PolarHBondContact O-N 3.08Å; I224-H228 VanDerWaalsContact O-N 3.13Å; Y225-H228 PolarHBondContact O-N 3.11Å; E226-H228 VanDerWaalsContact C-N 3.26Å; E226-H228 PolarHBondContact O-N 3.13Å; H228-C231 VanDerWaalsContact O-CB 3.29Å; H228-C231 WeakPolarHBondContact O-CB 3.37Å; H228-C231 PolarHBondContact O-N 3.19Å; H228-S232 PolarHBondContact O-N 3.29Å; H228-Y313 PolarHBondContact CE1-OH 2.88Å; H228-Y313 PolarHBondContact NE2-OH 2.97Å
229M95.6Very high93.4Very high0 Ų020.2 Ų20.20%013%0.129CC..Hα-helixtrans-64.4-38.2-175-85.3-66.8-60.800113.3W41 Y225 E226 C231 S232 M399 L402 T403W41-M229 HydrophobicContact CZ2-CB 4.04Å; W41-M229 PolarHBondContact NE1-O 3.21Å; Y225-M229 HydrophobicContact CD2-CG 4.15Å; Y225-M229 HydrophobicContact CE1-CG 4.38Å; Y225-M229 HydrophobicContact CE2-CG 3.78Å; Y225-M229 HydrophobicContact CE2-SD 3.82Å; Y225-M229 WeakPolarHBondContact O-CG 3.25Å; Y225-M229 PolarHBondContact O-N 3.19Å; Y225-M229 VanDerWaalsContact O-N 3.15Å; E226-M229 PolarHBondContact O-N 2.69Å; M229-C231 PolarHBondContact O-N 3.33Å; M229-S232 VanDerWaalsContact O-CB 3.3Å; M229-S232 WeakPolarHBondContact O-CB 3.33Å; M229-S232 PolarHBondContact O-N 3.08Å; M229-S232 VanDerWaalsContact O-N 3.16Å; M229-S232 PolarHBondContact O-OG 3.13Å; M229-M399 HydrophobicContact CB-CE 3.77Å; M229-M399 HydrophobicContact CE-CG 3.71Å; M229-M399 HydrophobicContact CG-CE 3.55Å; M229-L402 HydrophobicContact CE-CB 4.45Å; M229-L402 HydrophobicContact CE-CD2 3.86Å; M229-L402 HydrophobicContact CE-CG 4.24Å; M229-T403 WeakPolarHBondContact CE-OG1 3.36Å
230P94.9Very high93.4Very high39 Ų3925 Ų2525%0.25314%0.142SC..Hα-helixtrans-59.7-33.8170.7-28.335.8000113.5L37 W41 E226 S232 M233L37-P230 HydrophobicContact CD2-CB 4.24Å; L37-P230 HydrophobicContact CD2-CG 4.21Å; W41-P230 HydrophobicContact CZ2-CG 4.4Å; E226-P230 WeakPolarHBondContact O-CD 3.44Å; P230-S232 PolarHBondContact O-N 3.3Å; P230-M233 HydrophobicContact CB-CE 3.9Å; P230-M233 WeakPolarHBondContact O-CB 3.41Å; P230-M233 WeakPolarHBondContact O-CE 3.36Å; P230-M233 WeakPolarHBondContact O-CG 3.28Å; P230-M233 PolarHBondContact O-N 3.02Å
231C93.2Very high93.4Very high32 Ų3224.8 Ų24.822%0.21614%0.139CC..Hα-helixtrans-64.7-28.2177.3-57.40000112.6Y210 H228 M229 M233 G234 F235Y210-C231 HydrophobicContact CE2-CB 4.31Å; H228-C231 VanDerWaalsContact O-CB 3.29Å; H228-C231 WeakPolarHBondContact O-CB 3.37Å; H228-C231 PolarHBondContact O-N 3.19Å; M229-C231 PolarHBondContact O-N 3.33Å; C231-M233 PolarHBondContact O-N 3.16Å; C231-M233 VanDerWaalsContact O-N 3.11Å; C231-G234 PolarHBondContact O-N 3.07Å; C231-F235 HydrophobicContact CB-CD2 4.3Å; C231-F235 HydrophobicContact CB-CE2 4Å; C231-F235 WeakPolarHBondContact O-CD2 3.27Å; C231-F235 PolarHBondContact O-N 3.07Å
232S92.9Very high93.3Very high0 Ų032.6 Ų32.60%017%0.173CC..Hα-helixtrans-54.3-32.4177.571.40000112.8H228 M229 P230 G234 F235 A236 L402H228-S232 PolarHBondContact O-N 3.29Å; M229-S232 VanDerWaalsContact O-CB 3.3Å; M229-S232 WeakPolarHBondContact O-CB 3.33Å; M229-S232 PolarHBondContact O-N 3.08Å; M229-S232 VanDerWaalsContact O-N 3.16Å; M229-S232 PolarHBondContact O-OG 3.13Å; P230-S232 PolarHBondContact O-N 3.3Å; S232-G234 VanDerWaalsContact C-N 3.27Å; S232-G234 PolarHBondContact O-N 2.91Å; S232-F235 PolarHBondContact O-N 3.41Å; S232-A236 VanDerWaalsContact O-CB 3.24Å; S232-A236 WeakPolarHBondContact O-CB 3.28Å; S232-A236 PolarHBondContact O-N 3.17Å; S232-L402 VanDerWaalsContact OG-CD2 3.25Å; S232-L402 WeakPolarHBondContact OG-CD2 3.33Å
233M93.7Very high93Very high57 Ų5737 Ų3728%0.28119%0.193SC..Hα-helixtrans-61.3-37.7177.2-56.6-176-75.900111.7L37 G40 P230 C231L37-M233 HydrophobicContact CD2-CE 3.78Å; G40-M233 WeakPolarHBondContact CA-SD 3.49Å; P230-M233 HydrophobicContact CB-CE 3.9Å; P230-M233 WeakPolarHBondContact O-CB 3.41Å; P230-M233 WeakPolarHBondContact O-CE 3.36Å; P230-M233 WeakPolarHBondContact O-CG 3.28Å; P230-M233 PolarHBondContact O-N 3.02Å; C231-M233 PolarHBondContact O-N 3.16Å; C231-M233 VanDerWaalsContact O-N 3.11Å
234G92.4Very high93Very high6 Ų637.5 Ų37.56%0.06220%0.195CC..Hα-helixtrans-75.4-27.6177.500000113.3C231 S232 T237 T241C231-G234 PolarHBondContact O-N 3.07Å; S232-G234 VanDerWaalsContact C-N 3.27Å; S232-G234 PolarHBondContact O-N 2.91Å; G234-T237 VanDerWaalsContact O-CG2 3.28Å; G234-T237 WeakPolarHBondContact O-CG2 3.33Å; G234-T241 WeakPolarHBondContact O-CB 3.24Å; G234-T241 PolarHBondContact O-OG1 2.9Å
235F93.8Very high92.9Very high8 Ų839 Ų394%0.03520%0.201CC..Hα-helixtrans-94-19.2-179.5-65-69.3000114T208 G209 Y210 C231 S232 T237 F243 W245 S291T208-F235 HydrophobicContact CG2-CD1 3.87Å; T208-F235 HydrophobicContact CG2-CE1 3.62Å; G209-F235 VanDerWaalsContact O-CD1 3.31Å; G209-F235 WeakPolarHBondContact O-CD1 3.48Å; G209-F235 WeakPolarHBondContact O-CE1 3.27Å; Y210-F235 HydrophobicContact CD2-CB 4.38Å; Y210-F235 AromaticContact CD2-CD2 3.41Å; Y210-F235 HydrophobicContact CD2-CD2 3.41Å; Y210-F235 VanDerWaalsContact CD2-CD2 3.41Å; Y210-F235 AromaticContact CD2-CE2 3.99Å; Y210-F235 HydrophobicContact CD2-CE2 3.99Å; Y210-F235 HydrophobicContact CD2-CG 4.16Å; Y210-F235 HydrophobicContact CE2-CD2 4.25Å; Y210-F235 HydrophobicContact CG-CB 4.24Å; Y210-F235 HydrophobicContact CG-CD2 4.09Å; Y210-F235 HydrophobicContact CG-CG 4.41Å; C231-F235 HydrophobicContact CB-CD2 4.3Å; C231-F235 HydrophobicContact CB-CE2 4Å; C231-F235 WeakPolarHBondContact O-CD2 3.27Å; C231-F235 PolarHBondContact O-N 3.07Å; S232-F235 PolarHBondContact O-N 3.41Å; F235-T237 VanDerWaalsContact C-N 3.34Å; F235-T237 PolarHBondContact O-N 3.15Å; F235-F243 HydrophobicContact CD1-CB 4.23Å; F235-F243 HydrophobicContact CE1-CB 3.7Å; F235-F243 HydrophobicContact CE2-CB 4.06Å; F235-F243 HydrophobicContact CZ-CB 3.61Å; F235-W245 HydrophobicContact CE1-CB 4.01Å; F235-W245 HydrophobicContact CE2-CB 4.32Å; F235-W245 HydrophobicContact CZ-CB 3.56Å; F235-S291 WeakPolarHBondContact O-CB 3.36Å; F235-S291 PolarHBondContact O-OG 3.16Å
236A91.5Very high92.8Very high3 Ų339 Ų393%0.02520%0.201CC..  trans-95.540.2177.500000112.6A44 V47 R48 S232A44-A236 HydrophobicContact CB-CB 3.58Å; V47-A236 WeakPolarHBondContact CB-O 3.49Å; V47-A236 WeakPolarHBondContact CG1-O 3.35Å; V47-A236 VanDerWaalsContact CG2-O 3.31Å; V47-A236 WeakPolarHBondContact CG2-O 3.45Å; R48-A236 HydrophobicContact CG-CB 4.4Å; S232-A236 VanDerWaalsContact O-CB 3.24Å; S232-A236 WeakPolarHBondContact O-CB 3.28Å; S232-A236 PolarHBondContact O-N 3.17Å
237T86.7Confident92.7Very high67 Ų6738.7 Ų38.741%0.41120%0.199SC..SBendtrans-88.9-9.1-177.257.60000114.5G234 F235 R240G234-T237 VanDerWaalsContact O-CG2 3.28Å; G234-T237 WeakPolarHBondContact O-CG2 3.33Å; F235-T237 VanDerWaalsContact C-N 3.34Å; F235-T237 PolarHBondContact O-N 3.15Å; T237-R240 WeakPolarHBondContact CB-O 3.44Å; T237-R240 PolarHBondContact OG1-O 3.12Å
238G81.4Confident92.8Very high46 Ų4637 Ų3747%0.47419%0.193SC..SBendtrans90.92.3-176.100000114.8
239G89.5Confident93Very high18 Ų1836 Ų3619%0.18619%0.188CC..SBendtrans155.2-102.2-174.800000110.8T241 T290 S291G239-T241 PolarHBondContact O-N 3.46Å; G239-T290 CarbonylContact O-C 3.53Å; G239-T290 WeakPolarHBondContact O-CA 3.37Å; G239-T290 WeakPolarHBondContact O-CB 3.47Å; G239-S291 PolarHBondContact O-N 3.39Å
240R94.6Very high93.1Very high170 Ų17036 Ų3664%0.64219%0.188SC*.EExtended strand (participates in β ladder)trans-57.2134.9-175.7-177.7173.7-178.7-177.32.4112.4T237 L288 I289T237-R240 WeakPolarHBondContact CB-O 3.44Å; T237-R240 PolarHBondContact OG1-O 3.12Å; R240-L288 HydrophobicContact CB-CD1 4.14Å; R240-L288 HydrophobicContact CG-CD1 3.75Å; R240-I289 WeakPolarHBondContact CA-O 3.25Å
241T94.7Very high93.3Very high7 Ų734.1 Ų34.14%0.04318%0.176CC..EExtended strand (participates in β ladder)trans-144.3168.6173.4-174.70000111.2T208 G234 G239 F243 I289T208-T241 HydrophobicContact CG2-CG2 4.48Å; G234-T241 WeakPolarHBondContact O-CB 3.24Å; G234-T241 PolarHBondContact O-OG1 2.9Å; G239-T241 PolarHBondContact O-N 3.46Å; T241-F243 VanDerWaalsContact CG2-O 3.25Å; T241-F243 WeakPolarHBondContact CG2-O 3.38Å; T241-F243 PolarHBondContact OG1-N 3.42Å; T241-I289 HydrophobicContact CG2-CB 4.43Å; T241-I289 HydrophobicContact CG2-CG2 3.71Å; T241-I289 PolarHBondContact N-O 2.93Å; T241-I289 WeakPolarHBondContact O-CB 3.44Å
242F91.4Very high93.6Very high163 Ų16334 Ų3472%0.71517%0.172SC*.SBendtrans-108.2-6.9166.9-59.8-78.4000111.9
243F91.7Very high93.9Very high96 Ų9634 Ų3442%0.42117%0.172SC..  trans-87137.7178.8-71.6-107.8000109.1F235 T241F235-F243 HydrophobicContact CD1-CB 4.23Å; F235-F243 HydrophobicContact CE1-CB 3.7Å; F235-F243 HydrophobicContact CE2-CB 4.06Å; F235-F243 HydrophobicContact CZ-CB 3.61Å; T241-F243 VanDerWaalsContact CG2-O 3.25Å; T241-F243 WeakPolarHBondContact CG2-O 3.38Å; T241-F243 PolarHBondContact OG1-N 3.42Å
244L95.5Very high94.1Very high11 Ų1134.1 Ų34.16%0.05817%0.174CC..  trans-130.2128.6174.4-173.454.2000108.3I206 T208 M249 D275 L278 A279 I289I206-L244 HydrophobicContact CD1-CD1 3.71Å; I206-L244 HydrophobicContact CD1-CD2 3.74Å; I206-L244 HydrophobicContact CD1-CG 4.34Å; I206-L244 HydrophobicContact CG1-CD1 3.98Å; I206-L244 HydrophobicContact CG2-CD1 4.32Å; I206-L244 HydrophobicContact CG2-CD2 4.38Å; T208-L244 HydrophobicContact CG2-CD1 3.97Å; L244-M249 HydrophobicContact CD1-CG 4.18Å; L244-M249 HydrophobicContact CD1-SD 4.27Å; L244-M249 HydrophobicContact CD2-SD 4.3Å; L244-M249 HydrophobicContact CG-SD 4.27Å; L244-D275 HydrophobicContact CB-CB 4.39Å; L244-D275 HydrophobicContact CD2-CB 4.41Å; L244-D275 WeakPolarHBondContact CD2-O 3.17Å; L244-D275 HydrophobicContact CG-CB 4Å; L244-L278 HydrophobicContact CD2-CB 3.66Å; L244-A279 HydrophobicContact CB-CB 4.04Å; L244-A279 HydrophobicContact CD2-CB 4.16Å; L244-I289 HydrophobicContact CD1-CG2 4.37Å
245W95.4Very high94.4Very high32 Ų3234 Ų3412%0.12117%0.172CC..  trans-112.9126.1174167.860.2000109.7V184 T208 P211 F235 G247 C248 M249 F297V184-W245 HydrophobicContact CB-CH2 4.28Å; V184-W245 HydrophobicContact CG1-CH2 3.51Å; V184-W245 HydrophobicContact CG1-CZ2 3.73Å; V184-W245 HydrophobicContact CG2-CH2 4.05Å; T208-W245 PolarHBondContact OG1-N 3.1Å; T208-W245 PolarHBondContact OG1-O 2.93Å; T208-W245 VanDerWaalsContact OG1-O 3.05Å; P211-W245 HydrophobicContact CB-CH2 4.11Å; P211-W245 HydrophobicContact CB-CZ2 3.68Å; P211-W245 HydrophobicContact CG-CD2 4.08Å; P211-W245 HydrophobicContact CG-CG 4.46Å; P211-W245 HydrophobicContact CG-CH2 4.46Å; P211-W245 HydrophobicContact CG-CZ2 3.8Å; F235-W245 HydrophobicContact CE1-CB 4.01Å; F235-W245 HydrophobicContact CE2-CB 4.32Å; F235-W245 HydrophobicContact CZ-CB 3.56Å; W245-G247 VanDerWaalsContact CE2-CA 3.48Å; W245-G247 VanDerWaalsContact CH2-C 3.45Å; W245-G247 VanDerWaalsContact CZ2-CA 3.43Å; W245-G247 VanDerWaalsContact CZ3-C 3.46Å; W245-G247 PolarHBondContact O-N 3.04Å; W245-G247 VanDerWaalsContact O-N 3.11Å; W245-C248 HydrophobicContact CE3-CB 3.95Å; W245-C248 HydrophobicContact CH2-CB 4.36Å; W245-C248 HydrophobicContact CZ3-CB 3.47Å; W245-C248 VanDerWaalsContact CZ3-CB 3.47Å; W245-M249 WeakPolarHBondContact O-CG 3.16Å; W245-F297 HydrophobicContact CH2-CD2 4.2Å; W245-F297 AromaticContact CZ3-CD2 3.7Å; W245-F297 HydrophobicContact CZ3-CD2 3.7Å; W245-F297 HydrophobicContact CZ3-CE2 4.15Å
246G93.6Very high94.6Very high1 Ų134 Ų341%0.0117%0.172CC..THydrogen-bonded Turntrans-68.2-5.6-174.200000116.1K159 D275K159-G246 PolarHBondContact NZ-O 3.32Å; K159-G246 VanDerWaalsContact NZ-O 3.09Å; G246-D275 PolarHBondContact N-OD2 3.03Å; G246-D275 VanDerWaalsContact N-OD2 3.13Å
247G94.3Very high94.9Very high0 Ų038.7 Ų38.70%019%0.189CC..THydrogen-bonded Turntrans-94.1-5.1-176.600000116.2L180 D181 W245L180-G247 WeakPolarHBondContact CA-O 3.45Å; D181-G247 PolarHBondContact N-O 3.24Å; D181-G247 WeakPolarHBondContact OD2-CA 3.3Å; W245-G247 VanDerWaalsContact CE2-CA 3.48Å; W245-G247 VanDerWaalsContact CH2-C 3.45Å; W245-G247 VanDerWaalsContact CZ2-CA 3.43Å; W245-G247 VanDerWaalsContact CZ3-C 3.46Å; W245-G247 PolarHBondContact O-N 3.04Å; W245-G247 VanDerWaalsContact O-N 3.11Å
248C97.7Very high95.5Very high0 Ų040.8 Ų40.80%019%0.194CC..EExtended strand (participates in β ladder)trans-150.8113.4164.5178.50000108.4F179 L180 T208 W245 F297F179-C248 CarbonylContact O-C 3.59Å; F179-C248 VanDerWaalsContact O-CA 3.31Å; F179-C248 WeakPolarHBondContact O-CA 3.18Å; L180-C248 HydrophobicContact CD2-CB 4.06Å; T208-C248 WeakPolarHBondContact CA-O 3.46Å; T208-C248 WeakPolarHBondContact CB-O 3.34Å; T208-C248 PolarHBondContact OG1-O 3.24Å; W245-C248 HydrophobicContact CE3-CB 3.95Å; W245-C248 HydrophobicContact CH2-CB 4.36Å; W245-C248 HydrophobicContact CZ3-CB 3.47Å; W245-C248 VanDerWaalsContact CZ3-CB 3.47Å; C248-F297 HydrophobicContact CB-CD2 4.3Å; C248-F297 HydrophobicContact CB-CE2 3.65Å; C248-F297 HydrophobicContact CB-CZ 4.44Å
249M98.3Very high96.3Very high0 Ų041.3 Ų41.30%019%0.186CC..EExtended strand (participates in β ladder)trans-140.5108.4-178.1-63.8-173.5-63.800111.1L178 F179 I206 Q207 L244 W245 D274 L278L178-M249 CarbonylContact C-O 3.58Å; L178-M249 WeakPolarHBondContact CA-O 3.25Å; F179-M249 HydrophobicContact CB-CB 4.27Å; F179-M249 HydrophobicContact CB-CE 4.18Å; F179-M249 HydrophobicContact CD2-CB 4.21Å; F179-M249 HydrophobicContact CD2-CE 4.42Å; F179-M249 PolarHBondContact N-O 3.08Å; F179-M249 PolarHBondContact O-N 2.88Å; I206-M249 HydrophobicContact CD1-CB 3.71Å; I206-M249 HydrophobicContact CD1-CG 3.82Å; I206-M249 HydrophobicContact CD1-SD 3.74Å; I206-M249 HydrophobicContact CG1-CB 4.19Å; Q207-M249 CarbonylContact O-C 3.57Å; Q207-M249 WeakPolarHBondContact O-CA 3.47Å; L244-M249 HydrophobicContact CD1-CG 4.18Å; L244-M249 HydrophobicContact CD1-SD 4.27Å; L244-M249 HydrophobicContact CD2-SD 4.3Å; L244-M249 HydrophobicContact CG-SD 4.27Å; W245-M249 WeakPolarHBondContact O-CG 3.16Å; M249-D274 HydrophobicContact CE-CB 4.13Å; M249-D274 VanDerWaalsContact CE-OD2 3.28Å; M249-D274 WeakPolarHBondContact CE-OD2 3.45Å; M249-L278 HydrophobicContact CE-CD1 4.06Å; M249-L278 HydrophobicContact SD-CD1 3.78Å
250M98.7Very high96.7Very high0 Ų044.6 Ų44.60%019%0.193CC..EExtended strand (participates in β ladder)trans-97.1129171.3-172.6171.7-75.700110.4V86 Y176 V177 L178 I191 L194 M198 I206 Q207V86-M250 HydrophobicContact CG1-CE 4.13Å; Y176-M250 HydrophobicContact CG-SD 4.47Å; V177-M250 CarbonylContact O-C 3.6Å; V177-M250 WeakPolarHBondContact O-CA 3.37Å; L178-M250 HydrophobicContact CB-CE 4.15Å; L178-M250 HydrophobicContact CD1-CB 4.1Å; L178-M250 HydrophobicContact CD1-CE 4.49Å; L178-M250 HydrophobicContact CD2-CE 4.29Å; I191-M250 HydrophobicContact CG2-CE 4.21Å; L194-M250 HydrophobicContact CB-CB 4.42Å; L194-M250 HydrophobicContact CB-CE 3.52Å; L194-M250 HydrophobicContact CB-SD 3.57Å; L194-M250 VanDerWaalsContact CB-SD 3.57Å; L194-M250 HydrophobicContact CD1-CB 4.42Å; L194-M250 HydrophobicContact CD1-CE 4.05Å; L194-M250 HydrophobicContact CG-CE 4.44Å; M198-M250 HydrophobicContact CG-CG 4.14Å; M198-M250 HydrophobicContact CG-SD 3.74Å; I206-M250 CarbonylContact C-O 3.45Å; I206-M250 VanDerWaalsContact CA-O 3.32Å; I206-M250 WeakPolarHBondContact CA-O 3.36Å; Q207-M250 HydrophobicContact CB-CB 4.28Å; Q207-M250 PolarHBondContact N-O 3.29Å; Q207-M250 PolarHBondContact O-N 3.4Å
251M98.7Very high96.8Very high0 Ų040 Ų400%018%0.176CC..EExtended strand (participates in β ladder)trans-138.7164.9-178.1-63.7-175.876.200111.3Y176 V177 F179 F205 I206 A253 F256 V263 L278Y176-M251 CarbonylContact C-O 3.54Å; Y176-M251 VanDerWaalsContact CA-O 3.28Å; Y176-M251 WeakPolarHBondContact CA-O 3.4Å; V177-M251 HydrophobicContact CG1-CB 4.21Å; V177-M251 PolarHBondContact N-O 2.95Å; V177-M251 PolarHBondContact O-N 2.72Å; F179-M251 HydrophobicContact CE2-SD 4.44Å; F205-M251 HydrophobicContact CD2-CE 4.22Å; F205-M251 HydrophobicContact CE1-CE 3.98Å; F205-M251 HydrophobicContact CE2-CE 3.65Å; F205-M251 HydrophobicContact CZ-CE 3.52Å; I206-M251 HydrophobicContact CB-CG 3.88Å; I206-M251 HydrophobicContact CB-SD 4.5Å; I206-M251 HydrophobicContact CD1-CG 3.75Å; I206-M251 HydrophobicContact CD1-SD 3.71Å; I206-M251 HydrophobicContact CG1-CG 3.7Å; I206-M251 HydrophobicContact CG1-SD 4.31Å; M251-A253 PolarHBondContact O-N 3.45Å; M251-F256 HydrophobicContact CB-CE2 3.94Å; M251-F256 HydrophobicContact CE-CE2 4.11Å; M251-F256 HydrophobicContact CE-CZ 4.36Å; M251-F256 HydrophobicContact CG-CE2 4.37Å; M251-F256 HydrophobicContact SD-CE2 3.57Å; M251-F256 VanDerWaalsContact SD-CE2 3.57Å; M251-F256 HydrophobicContact SD-CZ 3.63Å; M251-V263 HydrophobicContact CE-CG2 4.38Å; M251-L278 HydrophobicContact CE-CD2 4.02Å; M251-L278 HydrophobicContact SD-CD1 3.99Å; M251-L278 HydrophobicContact SD-CD2 4.21Å
252H98.7Very high97Very high30 Ų3040.7 Ų40.714%0.13918%0.184CC..EExtended strand (participates in β ladder)trans-66.8130.5168.9-68.2-95.4000110.6Y176 M198 P202 I204 D254 D255Y176-H252 AromaticContact CE1-CE1 3.62Å; Y176-H252 AromaticContact CE1-ND1 3.58Å; M198-H252 WeakPolarHBondContact CE-NE2 3.49Å; P202-H252 PolarHBondContact O-NE2 2.93Å; I204-H252 PolarHBondContact O-CD2 2.98Å; I204-H252 PolarHBondContact O-NE2 2.67Å; H252-D254 PolarHBondContact O-N 2.94Å; H252-D255 HydrophobicContact CB-CB 4.46Å; H252-D255 WeakPolarHBondContact O-CB 3.48Å; H252-D255 PolarHBondContact O-N 2.66Å; H252-D255 VanDerWaalsContact O-N 3.16Å
253A98.7Very high97.3Very high0 Ų032.9 Ų32.90%015%0.15CC..Hα-helixtrans-60.3-33.617600000111.8M170 T174 K175 M251 D255 F256 R257M170-A253 HydrophobicContact CE-CB 3.85Å; M170-A253 HydrophobicContact SD-CB 4.04Å; T174-A253 HydrophobicContact CG2-CB 4.11Å; T174-A253 VanDerWaalsContact O-CB 3.31Å; T174-A253 WeakPolarHBondContact O-CB 3.47Å; K175-A253 WeakPolarHBondContact O-CB 3.06Å; K175-A253 PolarHBondContact O-N 2.7Å; M251-A253 PolarHBondContact O-N 3.45Å; A253-D255 VanDerWaalsContact C-N 3.29Å; A253-D255 PolarHBondContact O-N 3.3Å; A253-F256 PolarHBondContact O-N 3.1Å; A253-F256 VanDerWaalsContact O-N 3.16Å; A253-R257 PolarHBondContact O-N 3.47Å
254D98.4Very high97.6Very high59 Ų5929.7 Ų29.732%0.31614%0.139SC..Hα-helixtrans-67.4-25.9179.1-75.3-4.5000113.8H252 F256 R257 Q258H252-D254 PolarHBondContact O-N 2.94Å; D254-F256 PolarHBondContact O-N 3.49Å; D254-R257 PolarHBondContact O-N 2.99Å; D254-R257 IonicContact OD1-NH1 3.09Å; D254-R257 PolarHBondContact OD1-NH1 3.46Å; D254-R257 VanDerWaalsContact OD1-NH1 3.12Å; D254-Q258 WeakPolarHBondContact O-CB 3.32Å; D254-Q258 PolarHBondContact O-N 2.71Å
255D98.4Very high97.8Very high3 Ų331.9 Ų31.92%0.01616%0.155CC..Hα-helixtrans-63.5-30.8175.1-69.3-13.4000110.7F205 H252 A253 D259 R260F205-D255 WeakPolarHBondContact CD2-OD2 3.41Å; H252-D255 HydrophobicContact CB-CB 4.46Å; H252-D255 WeakPolarHBondContact O-CB 3.48Å; H252-D255 PolarHBondContact O-N 2.66Å; H252-D255 VanDerWaalsContact O-N 3.16Å; A253-D255 VanDerWaalsContact C-N 3.29Å; A253-D255 PolarHBondContact O-N 3.3Å; D255-D259 CarbonylContact O-C 3.56Å; D255-D259 WeakPolarHBondContact O-CA 3.33Å; D255-D259 PolarHBondContact O-N 3.36Å; D255-R260 HydrophobicContact CB-CB 4.42Å; D255-R260 PolarHBondContact O-N 3.34Å; D255-R260 VanDerWaalsContact OD1-CD 3.27Å; D255-R260 WeakPolarHBondContact OD1-CD 3.39Å; D255-R260 IonicContact OD1-NH1 2.95Å
256F98.6Very high97.9Very high9 Ų930.7 Ų30.74%0.03915%0.153CC..Hα-helixtrans-84.3-47.3172-66.8-95.5000113L164 V167 V177 F179 M251 A253 D254 Q258 D259 V263 V264 L267L164-F256 HydrophobicContact CD2-CD1 4.4Å; V167-F256 HydrophobicContact CG1-CB 3.49Å; V167-F256 VanDerWaalsContact CG1-CB 3.49Å; V167-F256 HydrophobicContact CG1-CD1 4.12Å; V167-F256 HydrophobicContact CG1-CG 3.91Å; V167-F256 HydrophobicContact CG2-CD1 4.01Å; V167-F256 HydrophobicContact CG2-CE1 4.35Å; V167-F256 HydrophobicContact CG2-CG 4.21Å; V177-F256 HydrophobicContact CG1-CD2 3.83Å; V177-F256 HydrophobicContact CG1-CE2 3.71Å; F179-F256 HydrophobicContact CE2-CE1 4.17Å; F179-F256 AromaticContact CE2-CE2 3.7Å; F179-F256 HydrophobicContact CE2-CE2 3.7Å; F179-F256 AromaticContact CE2-CZ 3.35Å; F179-F256 HydrophobicContact CE2-CZ 3.35Å; F179-F256 AromaticContact CZ-CE1 3.8Å; F179-F256 HydrophobicContact CZ-CE1 3.8Å; F179-F256 AromaticContact CZ-CE2 3.93Å; F179-F256 HydrophobicContact CZ-CE2 3.93Å; F179-F256 AromaticContact CZ-CZ 3.44Å; F179-F256 HydrophobicContact CZ-CZ 3.44Å; F179-F256 VanDerWaalsContact CZ-CZ 3.44Å; M251-F256 HydrophobicContact CB-CE2 3.94Å; M251-F256 HydrophobicContact CE-CE2 4.11Å; M251-F256 HydrophobicContact CE-CZ 4.36Å; M251-F256 HydrophobicContact CG-CE2 4.37Å; M251-F256 HydrophobicContact SD-CE2 3.57Å; M251-F256 VanDerWaalsContact SD-CE2 3.57Å; M251-F256 HydrophobicContact SD-CZ 3.63Å; A253-F256 PolarHBondContact O-N 3.1Å; A253-F256 VanDerWaalsContact O-N 3.16Å; D254-F256 PolarHBondContact O-N 3.49Å; F256-Q258 PolarHBondContact O-N 2.99Å; F256-D259 PolarHBondContact O-N 2.76Å; F256-D259 VanDerWaalsContact O-N 3.15Å; F256-V263 HydrophobicContact CD1-CG1 3.71Å; F256-V263 HydrophobicContact CD2-CG1 4.48Å; F256-V263 HydrophobicContact CE1-CG1 3.45Å; F256-V263 VanDerWaalsContact CE1-CG1 3.45Å; F256-V263 HydrophobicContact CE2-CG1 4.25Å; F256-V263 HydrophobicContact CG-CG1 4.22Å; F256-V263 HydrophobicContact CZ-CG1 3.73Å; F256-V264 HydrophobicContact CB-CG2 4.15Å; F256-V264 HydrophobicContact CD1-CG2 4.01Å; F256-V264 VanDerWaalsContact O-CG2 3.27Å; F256-V264 WeakPolarHBondContact O-CG2 3.33Å; F256-L267 HydrophobicContact CE1-CD1 4.19Å
257R98.2Very high98.1Very high100 Ų10030.8 Ų30.838%0.37715%0.153SC..Hα-helixtrans-57.3-35.4-177.1-69.5-177.4-178.5119.43.6112.6M170 H171 K172 T174 A253 D254M170-R257 HydrophobicContact CE-CG 3.68Å; H171-R257 PolarHBondContact O-NH2 2.95Å; K172-R257 PolarHBondContact O-NH2 2.82Å; T174-R257 PolarHBondContact O-NH1 3Å; T174-R257 PolarHBondContact O-NH2 3.27Å; A253-R257 PolarHBondContact O-N 3.47Å; D254-R257 PolarHBondContact O-N 2.99Å; D254-R257 IonicContact OD1-NH1 3.09Å; D254-R257 PolarHBondContact OD1-NH1 3.46Å; D254-R257 VanDerWaalsContact OD1-NH1 3.12Å
258Q98.3Very high98.3Very high112 Ų11236.1 Ų36.152%0.52317%0.173SC..THydrogen-bonded Turntrans-105.67.7-175.6-58.8169.722.100112.4D254 F256 R260D254-Q258 WeakPolarHBondContact O-CB 3.32Å; D254-Q258 PolarHBondContact O-N 2.71Å; F256-Q258 PolarHBondContact O-N 2.99Å; Q258-R260 HydrophobicContact CB-CG 3.92Å; Q258-R260 PolarHBondContact O-N 3Å; Q258-R260 VanDerWaalsContact O-N 3.15Å; Q258-R260 VanDerWaalsContact OE1-CZ 3.26Å
259D98.4Very high98.2Very high57 Ų5740.2 Ų40.231%0.30520%0.195SC..THydrogen-bonded Turntrans45.842.1-173.3-168.628.9000112.7D255 F256 Y261 G262 V263 V264 S265D255-D259 CarbonylContact O-C 3.56Å; D255-D259 WeakPolarHBondContact O-CA 3.33Å; D255-D259 PolarHBondContact O-N 3.36Å; F256-D259 PolarHBondContact O-N 2.76Å; F256-D259 VanDerWaalsContact O-N 3.15Å; D259-Y261 PolarHBondContact O-N 3Å; D259-G262 PolarHBondContact O-N 3.5Å; D259-G262 VanDerWaalsContact O-N 3.12Å; D259-G262 VanDerWaalsContact OD1-C 3.23Å; D259-G262 WeakPolarHBondContact OD1-CA 3.34Å; D259-V263 PolarHBondContact OD1-N 3.42Å; D259-V263 VanDerWaalsContact OD1-N 3.13Å; D259-V264 HydrophobicContact CB-CB 4.3Å; D259-V264 WeakPolarHBondContact OD1-CA 3.18Å; D259-V264 WeakPolarHBondContact OD1-CB 3.24Å; D259-V264 PolarHBondContact OD1-N 2.93Å; D259-S265 PolarHBondContact OD1-N 2.79Å; D259-S265 PolarHBondContact OD1-OG 2.97Å; D259-S265 WeakPolarHBondContact OD2-CB 3.22Å; D259-S265 PolarHBondContact OD2-N 3Å; D259-S265 PolarHBondContact OD2-OG 2.86Å
260R98.2Very high98.2Very high86 Ų8640.4 Ų40.433%0.32520%0.197SC..G310 helixtrans-63.1140.3-178-62.9-177.4177.2167.11.9108.5D255 Q258 G262 V263D255-R260 HydrophobicContact CB-CB 4.42Å; D255-R260 PolarHBondContact O-N 3.34Å; D255-R260 VanDerWaalsContact OD1-CD 3.27Å; D255-R260 WeakPolarHBondContact OD1-CD 3.39Å; D255-R260 IonicContact OD1-NH1 2.95Å; Q258-R260 HydrophobicContact CB-CG 3.92Å; Q258-R260 PolarHBondContact O-N 3Å; Q258-R260 VanDerWaalsContact O-N 3.15Å; Q258-R260 VanDerWaalsContact OE1-CZ 3.26Å; R260-G262 PolarHBondContact O-N 3.14Å; R260-V263 VanDerWaalsContact O-CG2 3.28Å; R260-V263 WeakPolarHBondContact O-CG2 3.42Å; R260-V263 PolarHBondContact O-N 2.92Å
261Y97.6Very high98.1Very high74 Ų7440.7 Ų40.729%0.2920%0.2SC..G310 helixtrans6013.5-179.9-39.6-68.8000113.7F205 D259 L281 H285F205-Y261 HydrophobicContact CD2-CD2 4.1Å; F205-Y261 HydrophobicContact CD2-CE2 4.11Å; F205-Y261 AromaticContact CE2-CD2 3.63Å; F205-Y261 HydrophobicContact CE2-CD2 3.63Å; F205-Y261 HydrophobicContact CE2-CE2 4.1Å; D259-Y261 PolarHBondContact O-N 3Å; Y261-L281 WeakPolarHBondContact O-CD2 3.18Å; Y261-H285 HydrophobicContact CD1-CB 3.9Å; Y261-H285 AromaticContact CD1-CG 3.79Å; Y261-H285 AromaticContact CD1-ND1 3.9Å; Y261-H285 HydrophobicContact CG-CB 4.42Å; Y261-H285 PolarHBondContact O-NE2 2.72Å
262G97.8Very high98.1Very high21 Ų2141 Ų4122%0.21620%0.201CC..G310 helixtrans68.531.9-175.700000113.8D259 R260 S265 G266D259-G262 PolarHBondContact O-N 3.5Å; D259-G262 VanDerWaalsContact O-N 3.12Å; D259-G262 VanDerWaalsContact OD1-C 3.23Å; D259-G262 WeakPolarHBondContact OD1-CA 3.34Å; R260-G262 PolarHBondContact O-N 3.14Å; G262-S265 VanDerWaalsContact CA-OG 3.27Å; G262-S265 WeakPolarHBondContact CA-OG 3.37Å; G262-G266 VanDerWaalsContact O-CA 3.29Å; G262-G266 WeakPolarHBondContact O-CA 3.11Å; G262-G266 PolarHBondContact O-N 3.29Å
263V98.5Very high97.9Very high0 Ų040.1 Ų40.10%020%0.198CC..Hα-helixtrans-59.4-53.6178.8165.20000111.8F205 M251 F256 D259 R260 L267 L278 L281F205-V263 HydrophobicContact CE2-CG2 3.98Å; F205-V263 HydrophobicContact CZ-CG2 3.75Å; M251-V263 HydrophobicContact CE-CG2 4.38Å; F256-V263 HydrophobicContact CD1-CG1 3.71Å; F256-V263 HydrophobicContact CD2-CG1 4.48Å; F256-V263 HydrophobicContact CE1-CG1 3.45Å; F256-V263 VanDerWaalsContact CE1-CG1 3.45Å; F256-V263 HydrophobicContact CE2-CG1 4.25Å; F256-V263 HydrophobicContact CG-CG1 4.22Å; F256-V263 HydrophobicContact CZ-CG1 3.73Å; D259-V263 PolarHBondContact OD1-N 3.42Å; D259-V263 VanDerWaalsContact OD1-N 3.13Å; R260-V263 VanDerWaalsContact O-CG2 3.28Å; R260-V263 WeakPolarHBondContact O-CG2 3.42Å; R260-V263 PolarHBondContact O-N 2.92Å; V263-L267 HydrophobicContact CG1-CD1 4.15Å; V263-L267 VanDerWaalsContact O-CB 3.3Å; V263-L267 WeakPolarHBondContact O-CB 3.38Å; V263-L267 WeakPolarHBondContact O-CD1 3.3Å; V263-L267 WeakPolarHBondContact O-CG 3.48Å; V263-L267 PolarHBondContact O-N 3.44Å; V263-L267 VanDerWaalsContact O-N 3.1Å; V263-L278 HydrophobicContact CG1-CD2 4.03Å; V263-L278 HydrophobicContact CG2-CD2 4.27Å; V263-L281 HydrophobicContact CG2-CD1 4.22Å
264V98.5Very high97.9Very high29 Ų2940.5 Ų40.518%0.17620%0.2CC..Hα-helixtrans-72.7-48.1-177.9177.70000110.3L164 F256 D259 G266 L267 R268L164-V264 HydrophobicContact CD2-CG1 4.25Å; L164-V264 HydrophobicContact CD2-CG2 4.4Å; F256-V264 HydrophobicContact CB-CG2 4.15Å; F256-V264 HydrophobicContact CD1-CG2 4.01Å; F256-V264 VanDerWaalsContact O-CG2 3.27Å; F256-V264 WeakPolarHBondContact O-CG2 3.33Å; D259-V264 HydrophobicContact CB-CB 4.3Å; D259-V264 WeakPolarHBondContact OD1-CA 3.18Å; D259-V264 WeakPolarHBondContact OD1-CB 3.24Å; D259-V264 PolarHBondContact OD1-N 2.93Å; V264-G266 VanDerWaalsContact C-N 3.34Å; V264-G266 PolarHBondContact O-N 2.67Å; V264-L267 PolarHBondContact O-N 2.78Å; V264-R268 WeakPolarHBondContact O-CB 3.29Å; V264-R268 PolarHBondContact O-N 2.61Å
265S98Very high97.8Very high57 Ų5738.9 Ų38.940%0.39919%0.192SC..Hα-helixtrans-61.8-43.1179.7450000111.6D259 G262 R268 D269D259-S265 PolarHBondContact OD1-N 2.79Å; D259-S265 PolarHBondContact OD1-OG 2.97Å; D259-S265 WeakPolarHBondContact OD2-CB 3.22Å; D259-S265 PolarHBondContact OD2-N 3Å; D259-S265 PolarHBondContact OD2-OG 2.86Å; G262-S265 VanDerWaalsContact CA-OG 3.27Å; G262-S265 WeakPolarHBondContact CA-OG 3.37Å; S265-R268 PolarHBondContact O-N 3.43Å; S265-D269 VanDerWaalsContact O-CB 3.24Å; S265-D269 WeakPolarHBondContact O-CB 3.16Å; S265-D269 PolarHBondContact O-N 3.39Å
266G97.4Very high97.6Very high7 Ų740.7 Ų40.77%0.07220%0.2CC..Hα-helixtrans-66-41.9178.300000114.2G262 V264G262-G266 VanDerWaalsContact O-CA 3.29Å; G262-G266 WeakPolarHBondContact O-CA 3.11Å; G262-G266 PolarHBondContact O-N 3.29Å; V264-G266 VanDerWaalsContact C-N 3.34Å; V264-G266 PolarHBondContact O-N 2.67Å
267L98.3Very high97.5Very high3 Ų340.6 Ų40.62%0.01620%0.201CC..Hα-helixtrans-67.3-40.9175-75.9170.9000111.9C156 I160 L164 F256 V263 V264 G271 D274 T277 L278C156-L267 WeakPolarHBondContact CB-O 3.36Å; I160-L267 HydrophobicContact CD1-CD2 3.93Å; I160-L267 HydrophobicContact CG1-CD2 4.18Å; I160-L267 HydrophobicContact CG2-CB 3.78Å; I160-L267 HydrophobicContact CG2-CD2 4.31Å; L164-L267 HydrophobicContact CD1-CB 4.47Å; L164-L267 HydrophobicContact CD2-CD1 4.27Å; F256-L267 HydrophobicContact CE1-CD1 4.19Å; V263-L267 HydrophobicContact CG1-CD1 4.15Å; V263-L267 VanDerWaalsContact O-CB 3.3Å; V263-L267 WeakPolarHBondContact O-CB 3.38Å; V263-L267 WeakPolarHBondContact O-CD1 3.3Å; V263-L267 WeakPolarHBondContact O-CG 3.48Å; V263-L267 PolarHBondContact O-N 3.44Å; V263-L267 VanDerWaalsContact O-N 3.1Å; V264-L267 PolarHBondContact O-N 2.78Å; L267-G271 WeakPolarHBondContact O-CA 3.49Å; L267-G271 PolarHBondContact O-N 3.44Å; L267-D274 HydrophobicContact CD2-CB 4.37Å; L267-T277 HydrophobicContact CD2-CG2 3.81Å; L267-T277 HydrophobicContact CG-CG2 4.2Å; L267-L278 HydrophobicContact CD1-CD2 4.3Å
268R98Very high97.5Very high111 Ų11135.9 Ų35.942%0.41918%0.183SC..Hα-helixtrans-72.3-29.6-177-169.6175.7-75.1-152.2-1.9112.5T155 L164 E168 V264 S265 G270T155-R268 WeakPolarHBondContact CB-O 3.46Å; T155-R268 PolarHBondContact OG1-O 2.96Å; L164-R268 HydrophobicContact CD1-CB 4.08Å; E168-R268 IonicContact OE1-NH2 2.7Å; E168-R268 PolarHBondContact OE1-NH2 3.2Å; V264-R268 WeakPolarHBondContact O-CB 3.29Å; V264-R268 PolarHBondContact O-N 2.61Å; S265-R268 PolarHBondContact O-N 3.43Å; R268-G270 PolarHBondContact O-N 3.25Å; R268-G270 VanDerWaalsContact O-N 3.14Å
269D97.3Very high97.4Very high86 Ų8631.6 Ų31.646%0.4617%0.167SC..THydrogen-bonded Turntrans-83.277.1-179.2-178.719.3000112.5S265 G271 K467S265-D269 VanDerWaalsContact O-CB 3.24Å; S265-D269 WeakPolarHBondContact O-CB 3.16Å; S265-D269 PolarHBondContact O-N 3.39Å; D269-G271 VanDerWaalsContact C-N 3.25Å; D269-G271 PolarHBondContact O-N 3.06Å; D269-K467 VanDerWaalsContact CG-NZ 3.26Å; D269-K467 IonicContact OD1-NZ 2.66Å; D269-K467 PolarHBondContact OD1-NZ 2.95Å; D269-K467 IonicContact OD2-NZ 3.66Å; D269-K467 PolarHBondContact OD2-NZ 3Å
270G97.6Very high97.3Very high5 Ų529.6 Ų29.65%0.05216%0.157CC..THydrogen-bonded Turntrans777.2173.700000115T155 R268 Y272 I468T155-G270 WeakPolarHBondContact O-CA 3.49Å; T155-G270 PolarHBondContact O-N 3.34Å; R268-G270 PolarHBondContact O-N 3.25Å; R268-G270 VanDerWaalsContact O-N 3.14Å; G270-Y272 PolarHBondContact O-N 3.39Å; G270-I468 PolarHBondContact O-N 3.3Å
271G97.4Very high97.3Very high6 Ų626.1 Ų26.16%0.06215%0.145CC..  trans-59.6129.9-175.300000112.9C156 S157 I160 L267 D269 I468C156-G271 CarbonylContact C-O 3.58Å; C156-G271 WeakPolarHBondContact CA-O 3.34Å; C156-G271 WeakPolarHBondContact CB-O 3.31Å; S157-G271 PolarHBondContact N-O 3.46Å; I160-G271 WeakPolarHBondContact CD1-O 3.43Å; L267-G271 WeakPolarHBondContact O-CA 3.49Å; L267-G271 PolarHBondContact O-N 3.44Å; D269-G271 VanDerWaalsContact C-N 3.25Å; D269-G271 PolarHBondContact O-N 3.06Å; G271-I468 WeakPolarHBondContact O-CD1 3.42Å
272Y97.1Very high97.3Very high7 Ų722.7 Ų22.73%0.02713%0.132CC..  trans-103.8-58.1174.6171.5-104.8000111.8S157 G270 F319 V320 I454 W456 Y461 I468S157-Y272 WeakPolarHBondContact CB-O 3.24Å; S157-Y272 PolarHBondContact OG-O 3.25Å; G270-Y272 PolarHBondContact O-N 3.39Å; Y272-F319 HydrophobicContact CD1-CD1 4.26Å; Y272-F319 HydrophobicContact CD2-CE1 4.48Å; Y272-F319 AromaticContact CE1-CD1 3.76Å; Y272-F319 HydrophobicContact CE1-CD1 3.76Å; Y272-F319 HydrophobicContact CE1-CE1 4.47Å; Y272-F319 HydrophobicContact CE2-CD1 4.18Å; Y272-F319 HydrophobicContact CE2-CE1 4.29Å; Y272-F319 AromaticContact CZ-CD1 3.73Å; Y272-V320 HydrophobicContact CD1-CG2 4.17Å; Y272-V320 HydrophobicContact CE1-CB 4.39Å; Y272-V320 HydrophobicContact CE1-CG2 3.58Å; Y272-I454 HydrophobicContact CE2-CG2 3.82Å; Y272-W456 HydrophobicContact CE2-CE3 4.08Å; Y272-W456 HydrophobicContact CE2-CZ3 4.48Å; Y272-Y461 HydrophobicContact CD2-CD2 4.33Å; Y272-Y461 HydrophobicContact CD2-CG 4.41Å; Y272-Y461 AromaticContact CE2-CD2 4Å; Y272-Y461 HydrophobicContact CE2-CD2 4Å; Y272-Y461 HydrophobicContact CE2-CG 4.46Å; Y272-I468 HydrophobicContact CD2-CD1 4.14Å
273S96Very high97.2Very high11 Ų1124.2 Ų24.28%0.07715%0.148CC..  trans-97.5123.5176.5-139.10000109.7D275 T277 V320S273-D275 WeakPolarHBondContact CB-OD1 3.25Å; S273-D275 PolarHBondContact OG-OD1 2.86Å; S273-T277 VanDerWaalsContact O-CB 3.32Å; S273-T277 WeakPolarHBondContact O-CB 3.43Å; S273-T277 PolarHBondContact O-N 3.2Å; S273-T277 PolarHBondContact O-OG1 3.21Å; S273-V320 WeakPolarHBondContact OG-CG2 3.09Å
274D97.2Very high97.1Very high7 Ų727.5 Ų27.54%0.03718%0.175CC..Hα-helixtrans-65.6-49.717549-16.6000110.6K159 I160 Q163 M249 L267 T277 L278K159-D274 VanDerWaalsContact CE-OD2 3.25Å; K159-D274 WeakPolarHBondContact CE-OD2 3.42Å; K159-D274 IonicContact NZ-OD1 2.7Å; K159-D274 PolarHBondContact NZ-OD1 3.33Å; K159-D274 IonicContact NZ-OD2 2.9Å; K159-D274 PolarHBondContact NZ-OD2 3.1Å; I160-D274 HydrophobicContact CD1-CB 4.43Å; I160-D274 HydrophobicContact CG1-CB 3.98Å; Q163-D274 PolarHBondContact NE2-OD2 2.91Å; Q163-D274 PolarHBondContact OE1-OD2 3.49Å; M249-D274 HydrophobicContact CE-CB 4.13Å; M249-D274 VanDerWaalsContact CE-OD2 3.28Å; M249-D274 WeakPolarHBondContact CE-OD2 3.45Å; L267-D274 HydrophobicContact CD2-CB 4.37Å; D274-T277 PolarHBondContact O-N 3.42Å; D274-L278 WeakPolarHBondContact O-CB 3.36Å; D274-L278 VanDerWaalsContact O-CG 3.24Å; D274-L278 WeakPolarHBondContact O-CG 3.46Å; D274-L278 PolarHBondContact O-N 3.26Å
275D96Very high97Very high25 Ų2530.4 Ų30.413%0.13419%0.187CC..Hα-helixtrans-61.4-49.2179.652.511.7000114.2L244 G246 S273 T277 L278 A279L244-D275 HydrophobicContact CB-CB 4.39Å; L244-D275 HydrophobicContact CD2-CB 4.41Å; L244-D275 WeakPolarHBondContact CD2-O 3.17Å; L244-D275 HydrophobicContact CG-CB 4Å; G246-D275 PolarHBondContact N-OD2 3.03Å; G246-D275 VanDerWaalsContact N-OD2 3.13Å; S273-D275 WeakPolarHBondContact CB-OD1 3.25Å; S273-D275 PolarHBondContact OG-OD1 2.86Å; D275-T277 VanDerWaalsContact C-N 3.31Å; D275-T277 PolarHBondContact O-N 3.03Å; D275-L278 PolarHBondContact O-N 3.47Å; D275-A279 WeakPolarHBondContact O-CB 3.48Å; D275-A279 PolarHBondContact O-N 3.38Å
276M95Very high97Very high41 Ų4137 Ų3720%0.20221%0.208CC..Hα-helixtrans-66.3-36179.7-67.3-54.398.800112.2S280 V320M276-S280 VanDerWaalsContact O-CB 3.23Å; M276-S280 WeakPolarHBondContact O-CB 3.24Å; M276-S280 PolarHBondContact O-N 2.99Å; M276-V320 HydrophobicContact CB-CG1 4.17Å; M276-V320 HydrophobicContact CG-CG1 3.15Å; M276-V320 HydrophobicContact SD-CG1 4.32Å
277T96.8Very high97Very high7 Ų739.9 Ų39.94%0.04322%0.217CC..Hα-helixtrans-62.3-50.7174.1-58.10000110.2L267 S273 D274 D275 S280 L281 I325L267-T277 HydrophobicContact CD2-CG2 3.81Å; L267-T277 HydrophobicContact CG-CG2 4.2Å; S273-T277 VanDerWaalsContact O-CB 3.32Å; S273-T277 WeakPolarHBondContact O-CB 3.43Å; S273-T277 PolarHBondContact O-N 3.2Å; S273-T277 PolarHBondContact O-OG1 3.21Å; D274-T277 PolarHBondContact O-N 3.42Å; D275-T277 VanDerWaalsContact C-N 3.31Å; D275-T277 PolarHBondContact O-N 3.03Å; T277-S280 WeakPolarHBondContact O-CB 3.45Å; T277-S280 PolarHBondContact O-N 2.65Å; T277-L281 HydrophobicContact CG2-CD1 4.41Å; T277-L281 WeakPolarHBondContact O-CG 3.47Å; T277-L281 PolarHBondContact O-N 2.92Å; T277-I325 HydrophobicContact CG2-CD1 4.09Å
278L97.9Very high97Very high2 Ų241.5 Ų41.51%0.0123%0.225CC..Hα-helixtrans-67.6-37-178.9-70.6172.6000112.8I206 L244 M249 M251 V263 L267 D274 D275 S280 L281 A282I206-L278 HydrophobicContact CD1-CD1 4.03Å; L244-L278 HydrophobicContact CD2-CB 3.66Å; M249-L278 HydrophobicContact CE-CD1 4.06Å; M249-L278 HydrophobicContact SD-CD1 3.78Å; M251-L278 HydrophobicContact CE-CD2 4.02Å; M251-L278 HydrophobicContact SD-CD1 3.99Å; M251-L278 HydrophobicContact SD-CD2 4.21Å; V263-L278 HydrophobicContact CG1-CD2 4.03Å; V263-L278 HydrophobicContact CG2-CD2 4.27Å; L267-L278 HydrophobicContact CD1-CD2 4.3Å; D274-L278 WeakPolarHBondContact O-CB 3.36Å; D274-L278 VanDerWaalsContact O-CG 3.24Å; D274-L278 WeakPolarHBondContact O-CG 3.46Å; D274-L278 PolarHBondContact O-N 3.26Å; D275-L278 PolarHBondContact O-N 3.47Å; L278-S280 VanDerWaalsContact C-N 3.35Å; L278-L281 PolarHBondContact O-N 3Å; L278-A282 WeakPolarHBondContact O-CB 3.16Å; L278-A282 PolarHBondContact O-N 3.37Å
279A96.6Very high97Very high22 Ų2236.7 Ų36.718%0.18221%0.207CC..Hα-helixtrans-64.9-40.3174.200000111.4L244 D275 A282 G283 I289L244-A279 HydrophobicContact CB-CB 4.04Å; L244-A279 HydrophobicContact CD2-CB 4.16Å; D275-A279 WeakPolarHBondContact O-CB 3.48Å; D275-A279 PolarHBondContact O-N 3.38Å; A279-A282 PolarHBondContact O-N 3.17Å; A279-G283 PolarHBondContact O-N 2.88Å; A279-I289 HydrophobicContact CB-CD1 4.44Å
280S96.7Very high97Very high14 Ų1433.1 Ų33.110%0.09819%0.189CC..Hα-helixtrans-62.4-46.2173.9168.90000111.8M276 T277 L278 G283 A284 I325 N329M276-S280 VanDerWaalsContact O-CB 3.23Å; M276-S280 WeakPolarHBondContact O-CB 3.24Å; M276-S280 PolarHBondContact O-N 2.99Å; T277-S280 WeakPolarHBondContact O-CB 3.45Å; T277-S280 PolarHBondContact O-N 2.65Å; L278-S280 VanDerWaalsContact C-N 3.35Å; S280-G283 PolarHBondContact O-N 3.44Å; S280-A284 WeakPolarHBondContact O-CB 3.3Å; S280-A284 PolarHBondContact O-N 3.13Å; S280-I325 WeakPolarHBondContact OG-CG2 3.47Å; S280-N329 VanDerWaalsContact OG-CB 3.31Å; S280-N329 WeakPolarHBondContact OG-CB 3.47Å
281L97.4Very high96.9Very high13 Ų1332.9 Ų32.97%0.06819%0.186CC..Hα-helixtrans-62.6-42.6175.9-69.3179000111.4Y261 V263 T277 L278 G283 A284 H285 I325Y261-L281 WeakPolarHBondContact O-CD2 3.18Å; V263-L281 HydrophobicContact CG2-CD1 4.22Å; T277-L281 HydrophobicContact CG2-CD1 4.41Å; T277-L281 WeakPolarHBondContact O-CG 3.47Å; T277-L281 PolarHBondContact O-N 2.92Å; L278-L281 PolarHBondContact O-N 3Å; L281-G283 VanDerWaalsContact C-N 3.33Å; L281-G283 PolarHBondContact O-N 2.99Å; L281-A284 PolarHBondContact O-N 3Å; L281-H285 WeakPolarHBondContact O-CB 3.5Å; L281-H285 PolarHBondContact O-CD2 2.76Å; L281-H285 VanDerWaalsContact O-CD2 3.27Å; L281-H285 PolarHBondContact O-N 3.45Å; L281-I325 HydrophobicContact CD2-CD1 3.94Å; L281-I325 HydrophobicContact CG-CD1 4.39Å
282A97.5Very high96.8Very high2 Ų233 Ų332%0.01719%0.186CC..Hα-helixtrans-59.2-44.917500000111.6F205 L278 A279 K286 R287 I289F205-A282 HydrophobicContact CD1-CB 3.74Å; F205-A282 HydrophobicContact CE1-CB 3.86Å; L278-A282 WeakPolarHBondContact O-CB 3.16Å; L278-A282 PolarHBondContact O-N 3.37Å; A279-A282 PolarHBondContact O-N 3.17Å; A282-K286 CarbonylContact O-C 3.58Å; A282-K286 WeakPolarHBondContact O-CA 3.14Å; A282-K286 PolarHBondContact O-N 3.27Å; A282-R287 HydrophobicContact CB-CB 4.3Å; A282-R287 PolarHBondContact O-N 3.43Å; A282-I289 HydrophobicContact CB-CD1 3.83Å; A282-I289 HydrophobicContact CB-CG1 3.84Å
283G96.1Very high96.6Very high54 Ų5433.7 Ų33.756%0.55719%0.191SC*.Hα-helixtrans-62.3-48.3175.600000113A279 S280 L281 H285 K286A279-G283 PolarHBondContact O-N 2.88Å; S280-G283 PolarHBondContact O-N 3.44Å; L281-G283 VanDerWaalsContact C-N 3.33Å; L281-G283 PolarHBondContact O-N 2.99Å; G283-H285 VanDerWaalsContact C-N 3.31Å; G283-H285 PolarHBondContact O-N 3.06Å; G283-K286 PolarHBondContact O-N 3.06Å
284A96.3Very high96.6Very high69 Ų6933.9 Ų33.957%0.5719%0.192SC*.Hα-helixtrans-61.6-38-179.200000112.7S280 L281S280-A284 WeakPolarHBondContact O-CB 3.3Å; S280-A284 PolarHBondContact O-N 3.13Å; L281-A284 PolarHBondContact O-N 3Å
285H96.9Very high96.5Very high90 Ų9033.7 Ų33.742%0.41719%0.191SC..THydrogen-bonded Turntrans-98.510.1-179.9-65-78.6000113.6Y261 L281 G283 R287Y261-H285 HydrophobicContact CD1-CB 3.9Å; Y261-H285 AromaticContact CD1-CG 3.79Å; Y261-H285 AromaticContact CD1-ND1 3.9Å; Y261-H285 HydrophobicContact CG-CB 4.42Å; Y261-H285 PolarHBondContact O-NE2 2.72Å; L281-H285 WeakPolarHBondContact O-CB 3.5Å; L281-H285 PolarHBondContact O-CD2 2.76Å; L281-H285 VanDerWaalsContact O-CD2 3.27Å; L281-H285 PolarHBondContact O-N 3.45Å; G283-H285 VanDerWaalsContact C-N 3.31Å; G283-H285 PolarHBondContact O-N 3.06Å; H285-R287 HydrophobicContact CB-CG 3.85Å; H285-R287 PolarHBondContact O-N 3.04Å
286K96.7Very high96.5Very high194 Ų19432.6 Ų32.684%0.84319%0.186SC*.THydrogen-bonded Turntrans5139.4-179.5-57.6179.5-178.5177.60113.3A282 G283A282-K286 CarbonylContact O-C 3.58Å; A282-K286 WeakPolarHBondContact O-CA 3.14Å; A282-K286 PolarHBondContact O-N 3.27Å; G283-K286 PolarHBondContact O-N 3.06Å
287R97.7Very high96.6Very high68 Ų6830.6 Ų30.626%0.25718%0.176SC..PPolyproline II helixtrans-88.8154-178.7-61.6-57.2-63161.6-2.1112E203 F205 A282 H285E203-R287 PolarHBondContact O-NH2 3.04Å; F205-R287 HydrophobicContact CB-CB 3.49Å; F205-R287 VanDerWaalsContact CB-CB 3.49Å; F205-R287 HydrophobicContact CB-CG 4.18Å; F205-R287 HydrophobicContact CD1-CB 3.87Å; F205-R287 HydrophobicContact CD1-CG 4.49Å; F205-R287 HydrophobicContact CD2-CB 4.37Å; F205-R287 HydrophobicContact CD2-CG 4.3Å; F205-R287 HydrophobicContact CG-CB 3.66Å; F205-R287 HydrophobicContact CG-CG 4.08Å; A282-R287 HydrophobicContact CB-CB 4.3Å; A282-R287 PolarHBondContact O-N 3.43Å; H285-R287 HydrophobicContact CB-CG 3.85Å; H285-R287 PolarHBondContact O-N 3.04Å
288L97.9Very high96.6Very high37 Ų3730.9 Ų30.919%0.19418%0.178CC..EExtended strand (participates in β ladder)trans-87.1122.4-173.1177.861.6000111.4N201 I204 F205 I206 R240 T290N201-L288 WeakPolarHBondContact ND2-CD2 3.42Å; I204-L288 HydrophobicContact CG1-CD2 3.78Å; I204-L288 HydrophobicContact CG1-CG 4.36Å; F205-L288 PolarHBondContact N-O 2.99Å; I206-L288 PolarHBondContact N-O 3.03Å; R240-L288 HydrophobicContact CB-CD1 4.14Å; R240-L288 HydrophobicContact CG-CD1 3.75Å; L288-T290 HydrophobicContact CD1-CG2 4.02Å; L288-T290 HydrophobicContact CD2-CG2 4Å; L288-T290 HydrophobicContact CG-CG2 3.76Å
289I98.1Very high96.4Very high10 Ų1031.1 Ų31.15%0.05118%0.179CC..EExtended strand (participates in β ladder)trans-100.3133166.9-52180000108.1I206 T208 R240 T241 L244 A279 A282I206-I289 HydrophobicContact CG2-CB 4.15Å; I206-I289 HydrophobicContact CG2-CD1 4.4Å; I206-I289 HydrophobicContact CG2-CG1 3.69Å; I206-I289 HydrophobicContact CG2-CG2 4.04Å; I206-I289 WeakPolarHBondContact O-CA 3.34Å; T208-I289 HydrophobicContact CG2-CG2 4.4Å; R240-I289 WeakPolarHBondContact CA-O 3.25Å; T241-I289 HydrophobicContact CG2-CB 4.43Å; T241-I289 HydrophobicContact CG2-CG2 3.71Å; T241-I289 PolarHBondContact N-O 2.93Å; T241-I289 WeakPolarHBondContact O-CB 3.44Å; L244-I289 HydrophobicContact CD1-CG2 4.37Å; A279-I289 HydrophobicContact CB-CD1 4.44Å; A282-I289 HydrophobicContact CB-CD1 3.83Å; A282-I289 HydrophobicContact CB-CG1 3.84Å
290T97.6Very high96.2Very high11 Ų1131 Ų317%0.06718%0.176CC..EExtended strand (participates in β ladder)trans-129.8155.5173.369.40000112.8I204 I206 Q207 T208 G239 L288I204-T290 HydrophobicContact CD1-CG2 4.07Å; I204-T290 HydrophobicContact CG1-CG2 3.93Å; I204-T290 HydrophobicContact CG2-CG2 4.42Å; I206-T290 PolarHBondContact O-N 3.26Å; Q207-T290 CarbonylContact C-O 3.51Å; Q207-T290 VanDerWaalsContact CA-O 3.24Å; Q207-T290 WeakPolarHBondContact CA-O 3.5Å; Q207-T290 WeakPolarHBondContact CG-OG1 3.39Å; Q207-T290 PolarHBondContact NE2-OG1 3.31Å; T208-T290 PolarHBondContact N-O 2.58Å; G239-T290 CarbonylContact O-C 3.53Å; G239-T290 WeakPolarHBondContact O-CA 3.37Å; G239-T290 WeakPolarHBondContact O-CB 3.47Å; L288-T290 HydrophobicContact CD1-CG2 4.02Å; L288-T290 HydrophobicContact CD2-CG2 4Å; L288-T290 HydrophobicContact CG-CG2 3.76Å
291S96.6Very high96.1Very high0 Ų030.6 Ų30.60%017%0.173CC..  trans-133.8102.5174.5172.80000108.4T208 F235 G239T208-S291 WeakPolarHBondContact O-CA 3.2Å; F235-S291 WeakPolarHBondContact O-CB 3.36Å; F235-S291 PolarHBondContact O-OG 3.16Å; G239-S291 PolarHBondContact O-N 3.39Å
292P94.4Very high95.6Very high10 Ų1030 Ų307%0.06517%0.17CC..  trans-59.2141.5177.6-28.738.6000112L194 E197 Q207 T208 V294 A295L194-P292 HydrophobicContact CD2-CG 4.01Å; E197-P292 HydrophobicContact CG-CG 4.25Å; Q207-P292 VanDerWaalsContact NE2-CG 3.35Å; T208-P292 WeakPolarHBondContact O-CD 3.39Å; P292-V294 HydrophobicContact CB-CG2 4.43Å; P292-V294 PolarHBondContact O-N 2.93Å; P292-A295 HydrophobicContact CB-CB 4.28Å; P292-A295 WeakPolarHBondContact O-CB 3.29Å; P292-A295 PolarHBondContact O-N 2.86Å
293P93.2Very high95Very high20 Ų2032.7 Ų32.713%0.1319%0.189CC..THydrogen-bonded Turntrans-60.2-13179.2-32.941.7000116.5V47 R48 E51 L409V47-P293 HydrophobicContact CG1-CB 4.31Å; V47-P293 HydrophobicContact CG1-CG 4.17Å; R48-P293 PolarHBondContact NH1-O 3.11Å; E51-P293 HydrophobicContact CG-CB 3.3Å; E51-P293 HydrophobicContact CG-CG 4.33Å; P293-L409 WeakPolarHBondContact O-CD2 3.21Å
294V95Very high94.4Very high15 Ų1531.5 Ų31.59%0.09117%0.17CC..THydrogen-bonded Turntrans-97.5-9.9174.4-62.90000113.1H187 A193 P292 V296 L413H187-V294 PolarHBondContact NE2-O 3.31Å; A193-V294 HydrophobicContact CB-CG2 3.72Å; P292-V294 HydrophobicContact CB-CG2 4.43Å; P292-V294 PolarHBondContact O-N 2.93Å; V294-V296 PolarHBondContact O-N 3.12Å; V294-L413 HydrophobicContact CB-CD1 4.01Å; V294-L413 HydrophobicContact CB-CD2 4.26Å; V294-L413 HydrophobicContact CG1-CD1 4.44Å; V294-L413 HydrophobicContact CG1-CD2 4.15Å; V294-L413 WeakPolarHBondContact O-CD1 3.19Å
295A95.7Very high94Very high3 Ų328.8 Ų28.83%0.02515%0.146CC..  trans-78.465.1178.200000111.1G209 Y210 P292 F297G209-A295 CarbonylContact C-O 3.5Å; G209-A295 WeakPolarHBondContact CA-O 3.46Å; Y210-A295 PolarHBondContact N-O 2.89Å; P292-A295 HydrophobicContact CB-CB 4.28Å; P292-A295 WeakPolarHBondContact O-CB 3.29Å; P292-A295 PolarHBondContact O-N 2.86Å; A295-F297 HydrophobicContact CB-CE2 4.24Å; A295-F297 HydrophobicContact CB-CZ 4Å
296V96.4Very high93.7Very high2 Ų226.9 Ų26.91%0.01214%0.142CC..EExtended strand (participates in β ladder)trans-126.8124.4173.355.70000108.7Y210 L212 V294 E406 L409Y210-V296 HydrophobicContact CD1-CG2 4.15Å; Y210-V296 WeakPolarHBondContact O-CA 3.29Å; L212-V296 HydrophobicContact CB-CG2 3.92Å; V294-V296 PolarHBondContact O-N 3.12Å; V296-E406 HydrophobicContact CG2-CB 4.34Å; V296-E406 HydrophobicContact CG2-CG 4.5Å; V296-L409 HydrophobicContact CG1-CD2 3.92Å; V296-L409 HydrophobicContact CG1-CG 4.34Å
297F96.7Very high93.4Very high0 Ų023.8 Ų23.80%013%0.129CC..EExtended strand (participates in β ladder)trans-123.6121.4-165.9-53-62.5000111V184 L186 T190 Y210 P211 L212 W245 C248 A295 H299V184-F297 HydrophobicContact CB-CB 3.91Å; V184-F297 HydrophobicContact CG1-CB 4.34Å; V184-F297 HydrophobicContact CG2-CB 4.41Å; L186-F297 HydrophobicContact CD1-CD1 4.36Å; L186-F297 HydrophobicContact CG-CD1 4.34Å; L186-F297 HydrophobicContact CG-CE1 4.28Å; T190-F297 HydrophobicContact CG2-CE1 3.55Å; T190-F297 HydrophobicContact CG2-CZ 3.61Å; T190-F297 WeakPolarHBondContact OG1-CE1 3.17Å; Y210-F297 PolarHBondContact O-N 3.49Å; P211-F297 CarbonylContact C-O 3.53Å; P211-F297 WeakPolarHBondContact CA-O 3.22Å; L212-F297 PolarHBondContact N-O 2.8Å; W245-F297 HydrophobicContact CH2-CD2 4.2Å; W245-F297 AromaticContact CZ3-CD2 3.7Å; W245-F297 HydrophobicContact CZ3-CD2 3.7Å; W245-F297 HydrophobicContact CZ3-CE2 4.15Å; C248-F297 HydrophobicContact CB-CD2 4.3Å; C248-F297 HydrophobicContact CB-CE2 3.65Å; C248-F297 HydrophobicContact CB-CZ 4.44Å; A295-F297 HydrophobicContact CB-CE2 4.24Å; A295-F297 HydrophobicContact CB-CZ 4Å; F297-H299 PolarHBondContact O-N 2.86Å
298P96.6Very high93.1Very high13 Ų1322.9 Ų22.98%0.08414%0.14CC..EExtended strand (participates in β ladder)trans-60.3123.5176.3-24.334.6000111.9R185 L214 P300 C410 L420R185-P298 HydrophobicContact CB-CB 4.39Å; R185-P298 PolarHBondContact N-O 3.43Å; R185-P298 WeakPolarHBondContact O-CD 3.47Å; L214-P298 HydrophobicContact CD1-CB 4.07Å; P298-P300 WeakPolarHBondContact O-CD 3.37Å; P298-C410 HydrophobicContact CG-CB 3.91Å; P298-L420 HydrophobicContact CB-CD1 3.77Å; P298-L420 HydrophobicContact CG-CD1 3.49Å; P298-L420 VanDerWaalsContact CG-CD1 3.49Å
299H94.8Very high92.8Very high6 Ų622.5 Ų22.53%0.02814%0.137CC..EExtended strand (participates in β ladder)trans-117.292.4-179.1176.9-142.7000109.8D183 V184 P211 L212 D213 L214 F297 L301D183-H299 PolarHBondContact O-CD2 2.99Å; D183-H299 VanDerWaalsContact O-CD2 3.3Å; D183-H299 IonicContact OD2-NE2 2.95Å; V184-H299 HydrophobicContact CG1-CB 4.12Å; P211-H299 HydrophobicContact CB-CB 4.01Å; L212-H299 PolarHBondContact O-N 3.38Å; D213-H299 WeakPolarHBondContact CA-O 3.42Å; D213-H299 IonicContact OD1-CE1 2.8Å; D213-H299 IonicContact OD1-CG 3.52Å; D213-H299 IonicContact OD1-ND1 3.56Å; D213-H299 PolarHBondContact OD1-ND1 3.37Å; L214-H299 PolarHBondContact N-O 3.44Å; F297-H299 PolarHBondContact O-N 2.86Å; H299-L301 PolarHBondContact O-N 3.06Å
300P93Very high92.6Very high20 Ų2022.2 Ų22.213%0.1314%0.135CC..EExtended strand (participates in β ladder)trans-71.5123.1179.329.7-33.7000111.8H98 P298H98-P300 HydrophobicContact CB-CG 3.77Å; H98-P300 PolarHBondContact CD2-O 3.39Å; H98-P300 VanDerWaalsContact CD2-O 3.25Å; P298-P300 WeakPolarHBondContact O-CD 3.37Å
301L92.6Very high92.5Very high5 Ų524.8 Ų24.83%0.02614%0.143CC..PPolyproline II helixtrans-86.3146.4179.2-61.6177.9000111.5D213 L214 S216 S221 I224 H299 S303 L484D213-L301 HydrophobicContact CB-CD1 4.14Å; D213-L301 HydrophobicContact CB-CG 4.47Å; L214-L301 PolarHBondContact O-N 3.15Å; L214-L301 VanDerWaalsContact O-N 3.17Å; S216-L301 WeakPolarHBondContact CB-O 3.43Å; S221-L301 VanDerWaalsContact O-CD1 3.25Å; S221-L301 WeakPolarHBondContact O-CD1 3.27Å; I224-L301 HydrophobicContact CB-CD1 3.94Å; I224-L301 HydrophobicContact CD1-CD2 4.47Å; I224-L301 HydrophobicContact CG2-CD1 3.93Å; I224-L301 HydrophobicContact CG2-CD2 4.02Å; H299-L301 PolarHBondContact O-N 3.06Å; L301-S303 PolarHBondContact O-N 3.25Å; L301-L484 HydrophobicContact CD2-CD1 4.37Å
302A87.6Confident92.4Very high1 Ų126.3 Ų26.31%0.00815%0.152CC..PPolyproline II helixtrans-51.1138.4179.200000114S216 D304 L484S216-A302 WeakPolarHBondContact CB-O 3.42Å; S216-A302 PolarHBondContact OG-O 3.45Å; A302-D304 PolarHBondContact O-N 3.13Å; A302-L484 WeakPolarHBondContact CB-O 3.45Å; A302-L484 PolarHBondContact N-O 3.47Å
303S84.8Confident92.5Very high59 Ų5926.1 Ų26.141%0.41315%0.15SC..THydrogen-bonded Turntrans-63.9-22.9175.355.10000114.5E97 L301E97-S303 PolarHBondContact OE2-N 3.25Å; E97-S303 PolarHBondContact OE2-OG 2.89Å; L301-S303 PolarHBondContact O-N 3.25Å
304D83.6Confident92.6Very high29 Ų2925.2 Ų25.216%0.15514%0.144CC..THydrogen-bonded Turntrans-119.831.6-170.981.4-53.1000113.9A302 S306 R309 G486 K487A302-D304 PolarHBondContact O-N 3.13Å; D304-S306 PolarHBondContact O-N 3.37Å; D304-S306 VanDerWaalsContact O-N 3.08Å; D304-R309 IonicContact OD1-NH1 3.81Å; D304-R309 PolarHBondContact OD1-NH1 2.86Å; D304-R309 IonicContact OD2-NH1 3.35Å; D304-G486 WeakPolarHBondContact OD1-CA 3.26Å; D304-K487 PolarHBondContact OD1-N 2.66Å; D304-K487 WeakPolarHBondContact OD2-CB 3.4Å; D304-K487 WeakPolarHBondContact OD2-CD 3.4Å; D304-K487 WeakPolarHBondContact OD2-CE 3.23Å; D304-K487 WeakPolarHBondContact OD2-CG 3.41Å; D304-K487 PolarHBondContact OD2-N 3.38Å; D304-K487 IonicContact OD2-NZ 3.69Å
305L87.8Confident92.7Very high12 Ų1224.9 Ų24.96%0.06314%0.141CC..  trans-63.7111.6-178.4-166.473.4000111.4G220 I224 R309 L484G220-L305 VanDerWaalsContact C-CD2 3.46Å; I224-L305 HydrophobicContact CD1-CD2 3.61Å; I224-L305 HydrophobicContact CG1-CD2 4.49Å; L305-R309 HydrophobicContact CD1-CB 3.71Å; L305-R309 HydrophobicContact CG-CB 4.49Å; L305-L484 HydrophobicContact CD1-CD2 4.29Å
306S90.2Very high92.6Very high49 Ų4926 Ų2634%0.34315%0.145SC..  trans-84.1159.3174.463.70000111.4D304 G308 R309 Y310D304-S306 PolarHBondContact O-N 3.37Å; D304-S306 VanDerWaalsContact O-N 3.08Å; S306-G308 PolarHBondContact O-N 2.9Å; S306-R309 PolarHBondContact O-N 3.36Å; S306-Y310 PolarHBondContact O-N 3.3Å
307F91.7Very high92.6Very high130 Ų13028.3 Ų28.357%0.5716%0.156SC*.Hα-helixtrans-53.9-41.5174.8-179.5-100.3000112.4R309 Y310 W311 L440F307-R309 VanDerWaalsContact C-N 3.32Å; F307-R309 PolarHBondContact O-N 2.78Å; F307-Y310 AromaticContact CD2-CD1 3.94Å; F307-Y310 HydrophobicContact CD2-CD1 3.94Å; F307-Y310 HydrophobicContact CD2-CE1 4.4Å; F307-Y310 HydrophobicContact CE2-CD1 4Å; F307-Y310 HydrophobicContact CE2-CE1 4.05Å; F307-Y310 PolarHBondContact O-N 2.98Å; F307-W311 HydrophobicContact CE1-CB 4.37Å; F307-W311 HydrophobicContact CZ-CE3 4.3Å; F307-W311 WeakPolarHBondContact O-CB 3.45Å; F307-W311 PolarHBondContact O-N 2.83Å; F307-L440 HydrophobicContact CE2-CD1 3.83Å; F307-L440 HydrophobicContact CZ-CD1 4.17Å
308G92.1Very high92.5Very high48 Ų4828.3 Ų28.350%0.49516%0.156SC..Hα-helixtrans-62.1-34.5177.800000114.1S306 N312S306-G308 PolarHBondContact O-N 2.9Å; G308-N312 WeakPolarHBondContact O-CB 3.27Å; G308-N312 PolarHBondContact O-N 2.58Å
309R90.7Very high92.6Very high30 Ų3027.7 Ų27.711%0.11315%0.152CC..Hα-helixtrans-73.4-43.6175.6-73.6173.361.6-176.67.3111.6D304 L305 S306 F307 N312 Y313 T482 D483 L484 G485D304-R309 IonicContact OD1-NH1 3.81Å; D304-R309 PolarHBondContact OD1-NH1 2.86Å; D304-R309 IonicContact OD2-NH1 3.35Å; L305-R309 HydrophobicContact CD1-CB 3.71Å; L305-R309 HydrophobicContact CG-CB 4.49Å; S306-R309 PolarHBondContact O-N 3.36Å; F307-R309 VanDerWaalsContact C-N 3.32Å; F307-R309 PolarHBondContact O-N 2.78Å; R309-N312 PolarHBondContact O-N 3.3Å; R309-Y313 PolarHBondContact O-N 3.06Å; R309-T482 PolarHBondContact NH2-O 3.29Å; R309-D483 PolarHBondContact NE-O 3.4Å; R309-D483 VanDerWaalsContact NH2-C 3.25Å; R309-D483 PolarHBondContact NH2-O 2.97Å; R309-L484 VanDerWaalsContact NH2-C 3.26Å; R309-G485 PolarHBondContact NH1-O 3.02Å; R309-G485 PolarHBondContact NH2-O 3.47Å
310Y94.1Very high92.6Very high3 Ų328.3 Ų28.31%0.01216%0.156CC..Hα-helixtrans-58.7-46.8172.1157.7-105.7000111.4C223 I224 S306 F307 N312 Y313 L314 D437 L440C223-Y310 HydrophobicContact CB-CD2 3.92Å; C223-Y310 HydrophobicContact CB-CE1 4.49Å; C223-Y310 HydrophobicContact CB-CE2 3.27Å; I224-Y310 HydrophobicContact CG1-CD2 4.14Å; S306-Y310 PolarHBondContact O-N 3.3Å; F307-Y310 AromaticContact CD2-CD1 3.94Å; F307-Y310 HydrophobicContact CD2-CD1 3.94Å; F307-Y310 HydrophobicContact CD2-CE1 4.4Å; F307-Y310 HydrophobicContact CE2-CD1 4Å; F307-Y310 HydrophobicContact CE2-CE1 4.05Å; F307-Y310 PolarHBondContact O-N 2.98Å; Y310-N312 VanDerWaalsContact C-N 3.34Å; Y310-N312 PolarHBondContact O-N 3.4Å; Y310-Y313 CarbonylContact O-C 3.56Å; Y310-Y313 WeakPolarHBondContact O-CA 3.39Å; Y310-Y313 WeakPolarHBondContact O-CB 3.49Å; Y310-Y313 PolarHBondContact O-N 3.48Å; Y310-Y313 VanDerWaalsContact O-N 3.08Å; Y310-L314 HydrophobicContact CE2-CB 4.45Å; Y310-L314 PolarHBondContact O-N 3.28Å; Y310-D437 VanDerWaalsContact CE2-OD1 3.31Å; Y310-D437 WeakPolarHBondContact CE2-OD1 3.48Å; Y310-D437 VanDerWaalsContact CZ-OD1 3.31Å; Y310-D437 PolarHBondContact OH-OD1 3.47Å; Y310-L440 HydrophobicContact CE1-CD1 3.75Å
311W95.9Very high92.8Very high65 Ų6527.8 Ų27.825%0.24615%0.152CC..Hα-helixtrans-59-45.4175.8-177.9-103.9000111F307 Y313 L314 R315 L440 I443F307-W311 HydrophobicContact CE1-CB 4.37Å; F307-W311 HydrophobicContact CZ-CE3 4.3Å; F307-W311 WeakPolarHBondContact O-CB 3.45Å; F307-W311 PolarHBondContact O-N 2.83Å; W311-Y313 VanDerWaalsContact C-N 3.3Å; W311-Y313 PolarHBondContact O-N 2.96Å; W311-L314 HydrophobicContact CE3-CD2 4.44Å; W311-L314 HydrophobicContact CZ3-CD2 4.37Å; W311-L314 PolarHBondContact O-N 2.99Å; W311-R315 HydrophobicContact CD2-CG 4.36Å; W311-R315 HydrophobicContact CG-CG 4.29Å; W311-R315 VanDerWaalsContact O-CB 3.23Å; W311-R315 WeakPolarHBondContact O-CB 3.32Å; W311-R315 WeakPolarHBondContact O-CG 2.99Å; W311-R315 PolarHBondContact O-N 2.69Å; W311-L440 HydrophobicContact CZ3-CB 4.19Å; W311-L440 HydrophobicContact CZ3-CD2 4.08Å; W311-I443 HydrophobicContact CH2-CB 4.3Å; W311-I443 HydrophobicContact CH2-CG2 3.91Å
312N94.7Very high93Very high33 Ų3328 Ų2818%0.17615%0.153CC..Hα-helixtrans-62.1-37.2175.2-163.954.6000112.4G308 R309 Y310 R315 K316 N455 D483G308-N312 WeakPolarHBondContact O-CB 3.27Å; G308-N312 PolarHBondContact O-N 2.58Å; R309-N312 PolarHBondContact O-N 3.3Å; Y310-N312 VanDerWaalsContact C-N 3.34Å; Y310-N312 PolarHBondContact O-N 3.4Å; N312-R315 WeakPolarHBondContact O-CB 3.4Å; N312-R315 PolarHBondContact O-N 2.86Å; N312-K316 WeakPolarHBondContact O-CG 3.47Å; N312-K316 PolarHBondContact O-N 3.33Å; N312-N455 PolarHBondContact ND2-O 3.41Å; N312-N455 PolarHBondContact OD1-O 3.31Å; N312-D483 PolarHBondContact ND2-OD1 3.15Å; N312-D483 PolarHBondContact ND2-OD2 3.28Å
313Y94.7Very high93.4Very high6 Ų628.1 Ų28.12%0.02415%0.154CC..Hα-helixtrans-61.9-53.4173167-86.6000111.6I224 Y227 H228 R309 Y310 W311 R315 K316 Q317 L484I224-Y313 HydrophobicContact CB-CE1 4.25Å; I224-Y313 HydrophobicContact CD1-CD1 4.02Å; I224-Y313 HydrophobicContact CD1-CD2 4.41Å; I224-Y313 HydrophobicContact CD1-CE1 4.31Å; I224-Y313 HydrophobicContact CD1-CG 4.08Å; I224-Y313 HydrophobicContact CG1-CD1 3.68Å; I224-Y313 HydrophobicContact CG1-CE1 3.68Å; I224-Y313 HydrophobicContact CG1-CG 4.26Å; I224-Y313 HydrophobicContact CG2-CE1 4.04Å; I224-Y313 HydrophobicContact CG2-CE2 4.36Å; Y227-Y313 HydrophobicContact CD1-CE1 4.21Å; Y227-Y313 WeakPolarHBondContact CD1-OH 3.44Å; H228-Y313 PolarHBondContact CE1-OH 2.88Å; H228-Y313 PolarHBondContact NE2-OH 2.97Å; R309-Y313 PolarHBondContact O-N 3.06Å; Y310-Y313 CarbonylContact O-C 3.56Å; Y310-Y313 WeakPolarHBondContact O-CA 3.39Å; Y310-Y313 WeakPolarHBondContact O-CB 3.49Å; Y310-Y313 PolarHBondContact O-N 3.48Å; Y310-Y313 VanDerWaalsContact O-N 3.08Å; W311-Y313 VanDerWaalsContact C-N 3.3Å; W311-Y313 PolarHBondContact O-N 2.96Å; Y313-R315 PolarHBondContact O-N 2.97Å; Y313-K316 WeakPolarHBondContact O-CA 3.36Å; Y313-K316 WeakPolarHBondContact O-CB 3.23Å; Y313-K316 PolarHBondContact O-N 3.47Å; Y313-Q317 HydrophobicContact CD1-CG 4.32Å; Y313-Q317 HydrophobicContact CE1-CG 3.82Å; Y313-Q317 HydrophobicContact CE2-CG 4.32Å; Y313-Q317 VanDerWaalsContact CZ-NE2 3.28Å; Y313-Q317 WeakPolarHBondContact O-CG 3.42Å; Y313-Q317 PolarHBondContact O-N 2.87Å; Y313-Q317 PolarHBondContact OH-NE2 3.04Å; Y313-L484 HydrophobicContact CD2-CD1 4.07Å; Y313-L484 HydrophobicContact CD2-CD2 3.95Å; Y313-L484 HydrophobicContact CD2-CG 4.33Å; Y313-L484 HydrophobicContact CE2-CD1 4.12Å; Y313-L484 HydrophobicContact CG-CD2 4.36Å
314L96.4Very high94Very high0 Ų028 Ų280%014%0.144CC..Hα-helixtrans-59.7-37.5178.4-178.164.6000111.6Y227 Y310 W311 Q317 T318 L440 Y441 S444Y227-L314 HydrophobicContact CD2-CD1 4.31Å; Y227-L314 HydrophobicContact CE2-CD1 4.46Å; Y310-L314 HydrophobicContact CE2-CB 4.45Å; Y310-L314 PolarHBondContact O-N 3.28Å; W311-L314 HydrophobicContact CE3-CD2 4.44Å; W311-L314 HydrophobicContact CZ3-CD2 4.37Å; W311-L314 PolarHBondContact O-N 2.99Å; L314-Q317 PolarHBondContact O-N 3.06Å; L314-T318 PolarHBondContact O-N 3.42Å; L314-T318 PolarHBondContact O-OG1 3.16Å; L314-L440 HydrophobicContact CD2-CB 3.91Å; L314-Y441 HydrophobicContact CD1-CD2 4.05Å; L314-S444 PolarHBondContact O-OG 2.75Å
315R96.2Very high94.6Very high9 Ų928.6 Ų28.63%0.03415%0.147CC..Hα-helixtrans-57.9-47.5171.2-73.6-77.4-55.2147.18.5111.5W311 N312 Y313 Q317 T318 F319 S444 R447 S448 I454W311-R315 HydrophobicContact CD2-CG 4.36Å; W311-R315 HydrophobicContact CG-CG 4.29Å; W311-R315 VanDerWaalsContact O-CB 3.23Å; W311-R315 WeakPolarHBondContact O-CB 3.32Å; W311-R315 WeakPolarHBondContact O-CG 2.99Å; W311-R315 PolarHBondContact O-N 2.69Å; N312-R315 WeakPolarHBondContact O-CB 3.4Å; N312-R315 PolarHBondContact O-N 2.86Å; Y313-R315 PolarHBondContact O-N 2.97Å; R315-Q317 PolarHBondContact O-N 2.6Å; R315-T318 PolarHBondContact O-N 2.83Å; R315-T318 PolarHBondContact O-OG1 2.84Å; R315-F319 WeakPolarHBondContact O-CB 3.29Å; R315-F319 PolarHBondContact O-N 3.44Å; R315-S444 WeakPolarHBondContact CA-OG 3.49Å; R315-S444 PolarHBondContact N-OG 2.81Å; R315-S444 PolarHBondContact NH1-O 3.25Å; R315-R447 VanDerWaalsContact NH1-CB 3.32Å; R315-R447 VanDerWaalsContact NH1-CG 3.31Å; R315-R447 PolarHBondContact NH1-O 2.79Å; R315-R447 VanDerWaalsContact NH1-O 3.11Å; R315-R447 PolarHBondContact NH2-O 3.01Å; R315-S448 VanDerWaalsContact CZ-OG 3.27Å; R315-S448 PolarHBondContact NH1-OG 3.2Å; R315-I454 HydrophobicContact CB-CD1 3.74Å
316K95.3Very high95Very high26 Ų2630.1 Ų30.111%0.11316%0.159CC..Hα-helixtrans-59.6-46176-72-175.7-55.1-179.80111.4N312 Y313 T318 F319 V320 I454 W456 D483N312-K316 WeakPolarHBondContact O-CG 3.47Å; N312-K316 PolarHBondContact O-N 3.33Å; Y313-K316 WeakPolarHBondContact O-CA 3.36Å; Y313-K316 WeakPolarHBondContact O-CB 3.23Å; Y313-K316 PolarHBondContact O-N 3.47Å; K316-T318 VanDerWaalsContact C-N 3.35Å; K316-T318 PolarHBondContact O-N 3.02Å; K316-F319 PolarHBondContact O-N 3.42Å; K316-F319 VanDerWaalsContact O-N 3.16Å; K316-V320 WeakPolarHBondContact O-CG2 3.14Å; K316-V320 PolarHBondContact O-N 2.84Å; K316-I454 HydrophobicContact CG-CD1 4.29Å; K316-I454 HydrophobicContact CG-CG1 3.85Å; K316-W456 HydrophobicContact CD-CB 4.06Å; K316-W456 HydrophobicContact CD-CG 3.86Å; K316-D483 WeakPolarHBondContact CE-OD2 3.07Å; K316-D483 IonicContact NZ-OD2 3.73Å; K316-D483 PolarHBondContact NZ-OD2 3.29Å
317Q94.6Very high95.2Very high51 Ų5135.3 Ų35.324%0.23818%0.175CC..Hα-helixtrans-59.4-45.1179.7-60.3-52.8-20.900112.4Y227 Y313 L314 R315Y227-Q317 HydrophobicContact CD1-CG 4.29Å; Y227-Q317 HydrophobicContact CE1-CB 3.99Å; Y227-Q317 HydrophobicContact CE1-CG 3.58Å; Y227-Q317 HydrophobicContact CE2-CB 4.4Å; Y227-Q317 WeakPolarHBondContact OH-CB 3.24Å; Y313-Q317 HydrophobicContact CD1-CG 4.32Å; Y313-Q317 HydrophobicContact CE1-CG 3.82Å; Y313-Q317 HydrophobicContact CE2-CG 4.32Å; Y313-Q317 VanDerWaalsContact CZ-NE2 3.28Å; Y313-Q317 WeakPolarHBondContact O-CG 3.42Å; Y313-Q317 PolarHBondContact O-N 2.87Å; Y313-Q317 PolarHBondContact OH-NE2 3.04Å; L314-Q317 PolarHBondContact O-N 3.06Å; R315-Q317 PolarHBondContact O-N 2.6Å
318T96.5Very high95.4Very high0 Ų033.9 Ų33.90%018%0.177CC..Hα-helixtrans-73.6-30176.153.40000113.3L314 R315 K316 V320 L321 Y441 S444 A445 S448L314-T318 PolarHBondContact O-N 3.42Å; L314-T318 PolarHBondContact O-OG1 3.16Å; R315-T318 PolarHBondContact O-N 2.83Å; R315-T318 PolarHBondContact O-OG1 2.84Å; K316-T318 VanDerWaalsContact C-N 3.35Å; K316-T318 PolarHBondContact O-N 3.02Å; T318-V320 VanDerWaalsContact C-N 3.34Å; T318-L321 PolarHBondContact O-N 3.13Å; T318-Y441 HydrophobicContact CG2-CD2 3.89Å; T318-Y441 HydrophobicContact CG2-CE2 3.54Å; T318-S444 PolarHBondContact OG1-OG 2.98Å; T318-A445 HydrophobicContact CG2-CB 3.97Å; T318-S448 PolarHBondContact OG1-OG 3.47Å
319F97.1Very high95.6Very high0 Ų031.9 Ų31.90%016%0.155CC..Hα-helixtrans-70.8-30.2178.9-168.7-98.3000112.5Y272 R315 K316 L321 E322 S448 I454 L463Y272-F319 HydrophobicContact CD1-CD1 4.26Å; Y272-F319 HydrophobicContact CD2-CE1 4.48Å; Y272-F319 AromaticContact CE1-CD1 3.76Å; Y272-F319 HydrophobicContact CE1-CD1 3.76Å; Y272-F319 HydrophobicContact CE1-CE1 4.47Å; Y272-F319 HydrophobicContact CE2-CD1 4.18Å; Y272-F319 HydrophobicContact CE2-CE1 4.29Å; Y272-F319 AromaticContact CZ-CD1 3.73Å; R315-F319 WeakPolarHBondContact O-CB 3.29Å; R315-F319 PolarHBondContact O-N 3.44Å; K316-F319 PolarHBondContact O-N 3.42Å; K316-F319 VanDerWaalsContact O-N 3.16Å; F319-L321 PolarHBondContact O-N 2.85Å; F319-E322 WeakPolarHBondContact O-CB 3.26Å; F319-E322 PolarHBondContact O-N 2.95Å; F319-S448 PolarHBondContact N-OG 2.89Å; F319-I454 HydrophobicContact CD1-CB 3.84Å; F319-I454 HydrophobicContact CD1-CG2 3.42Å; F319-I454 VanDerWaalsContact CD1-CG2 3.42Å; F319-I454 HydrophobicContact CD2-CB 4.14Å; F319-I454 HydrophobicContact CE1-CB 3.92Å; F319-I454 HydrophobicContact CE1-CG2 3.31Å; F319-I454 HydrophobicContact CE2-CB 4.22Å; F319-I454 HydrophobicContact CE2-CG2 4.48Å; F319-I454 HydrophobicContact CG-CB 3.93Å; F319-I454 HydrophobicContact CG-CG1 4.44Å; F319-I454 HydrophobicContact CG-CG2 4.05Å; F319-I454 HydrophobicContact CZ-CB 4.09Å; F319-I454 HydrophobicContact CZ-CG2 3.88Å; F319-L463 HydrophobicContact CD1-CD1 4.14Å; F319-L463 HydrophobicContact CE1-CD1 3.42Å; F319-L463 VanDerWaalsContact CE1-CD1 3.42Å; F319-L463 HydrophobicContact CE1-CD2 4.45Å; F319-L463 HydrophobicContact CE1-CG 3.67Å; F319-L463 HydrophobicContact CE2-CD1 4.19Å; F319-L463 HydrophobicContact CZ-CB 4.34Å; F319-L463 HydrophobicContact CZ-CD1 3.47Å; F319-L463 VanDerWaalsContact CZ-CD1 3.47Å; F319-L463 HydrophobicContact CZ-CG 3.55Å
320V96Very high95.9Very high18 Ų1835.4 Ų35.411%0.10917%0.168CC..Hα-helixtrans-52.2-38.9171.41650000111.3Y272 S273 M276 K316 T318 E322 S323Y272-V320 HydrophobicContact CD1-CG2 4.17Å; Y272-V320 HydrophobicContact CE1-CB 4.39Å; Y272-V320 HydrophobicContact CE1-CG2 3.58Å; S273-V320 WeakPolarHBondContact OG-CG2 3.09Å; M276-V320 HydrophobicContact CB-CG1 4.17Å; M276-V320 HydrophobicContact CG-CG1 3.15Å; M276-V320 HydrophobicContact SD-CG1 4.32Å; K316-V320 WeakPolarHBondContact O-CG2 3.14Å; K316-V320 PolarHBondContact O-N 2.84Å; T318-V320 VanDerWaalsContact C-N 3.34Å; V320-E322 PolarHBondContact O-N 3.09Å; V320-S323 PolarHBondContact O-N 2.96Å; V320-S323 PolarHBondContact O-OG 3.49Å
321L96.1Very high96Very high10 Ų1039.7 Ų39.75%0.05219%0.19CC..THydrogen-bonded Turntrans-69-15.4178.5-57.6-178000114.1T318 F319 N333 L336 F337 Y441T318-L321 PolarHBondContact O-N 3.13Å; F319-L321 PolarHBondContact O-N 2.85Å; L321-N333 WeakPolarHBondContact O-CB 3.38Å; L321-L336 HydrophobicContact CD1-CG 4.43Å; L321-L336 HydrophobicContact CD2-CD2 3.6Å; L321-L336 HydrophobicContact CD2-CG 4.11Å; L321-F337 HydrophobicContact CD1-CB 4.2Å; L321-Y441 WeakPolarHBondContact CD1-OH 3.32Å
322E96.5Very high96Very high9 Ų942.1 Ų42.14%0.04221%0.206CC..THydrogen-bonded Turntrans-82.9-19.3172.6-62.4-59.7125.500112.2F319 V320 Y324 K334 H449 Q452 L463 G466F319-E322 WeakPolarHBondContact O-CB 3.26Å; F319-E322 PolarHBondContact O-N 2.95Å; V320-E322 PolarHBondContact O-N 3.09Å; E322-Y324 WeakPolarHBondContact O-CD1 3.21Å; E322-K334 IonicContact OE1-NZ 3.53Å; E322-K334 PolarHBondContact OE1-NZ 3.12Å; E322-K334 IonicContact OE2-NZ 3.62Å; E322-K334 PolarHBondContact OE2-NZ 3.43Å; E322-H449 IonicContact OE1-ND1 3.73Å; E322-H449 IonicContact OE2-ND1 2.78Å; E322-H449 PolarHBondContact OE2-ND1 3.19Å; E322-H449 VanDerWaalsContact OE2-ND1 3.09Å; E322-Q452 PolarHBondContact OE2-NE2 3.06Å; E322-L463 HydrophobicContact CB-CD1 4.03Å; E322-G466 WeakPolarHBondContact O-CA 3.45Å
323S96.7Very high96.1Very high4 Ų441 Ų413%0.02820%0.2CC..  trans-84.3142.3175.971.20000111.9V320 N333 G466V320-S323 PolarHBondContact O-N 2.96Å; V320-S323 PolarHBondContact O-OG 3.49Å; S323-N333 PolarHBondContact O-ND2 3.01Å; S323-G466 VanDerWaalsContact CA-O 3.23Å; S323-G466 WeakPolarHBondContact CA-O 3.48Å
324Y97.2Very high96.1Very high56 Ų5642.8 Ų42.822%0.2221%0.208CC..  trans-159.9152.7177.557.3-92.9000112.6E322 N329 W330 D465 G466E322-Y324 WeakPolarHBondContact O-CD1 3.21Å; Y324-N329 WeakPolarHBondContact CA-OD1 3.4Å; Y324-N329 WeakPolarHBondContact CB-OD1 3.37Å; Y324-W330 HydrophobicContact CD1-CB 3.92Å; Y324-W330 AromaticContact CD1-CD1 3.49Å; Y324-W330 VanDerWaalsContact CD1-CD1 3.49Å; Y324-W330 HydrophobicContact CD1-CG 4.07Å; Y324-W330 HydrophobicContact CD2-CB 3.75Å; Y324-W330 HydrophobicContact CD2-CG 4.47Å; Y324-W330 HydrophobicContact CE1-CB 4.21Å; Y324-W330 AromaticContact CE1-CD1 3.25Å; Y324-W330 AromaticContact CE1-CG 3.99Å; Y324-W330 HydrophobicContact CE1-CG 3.99Å; Y324-W330 HydrophobicContact CE2-CB 4.08Å; Y324-W330 HydrophobicContact CE2-CG 4.4Å; Y324-W330 HydrophobicContact CG-CB 3.66Å; Y324-W330 HydrophobicContact CG-CG 4.31Å; Y324-W330 AromaticContact CZ-CD1 3.76Å; Y324-D465 WeakPolarHBondContact CE2-O 3.49Å; Y324-D465 WeakPolarHBondContact OH-CA 3.46Å; Y324-D465 PolarHBondContact OH-O 2.89Å; Y324-G466 PolarHBondContact N-O 3.27Å; Y324-G466 VanDerWaalsContact N-O 3.12Å
325I96.1Very high96.2Very high42 Ų4245.2 Ų45.222%0.21523%0.227CC..SBendtrans-97.1-27.1178.3-170170000113.5T277 S280 L281 N329T277-I325 HydrophobicContact CG2-CD1 4.09Å; S280-I325 WeakPolarHBondContact OG-CG2 3.47Å; L281-I325 HydrophobicContact CD2-CD1 3.94Å; L281-I325 HydrophobicContact CG-CD1 4.39Å; I325-N329 HydrophobicContact CG2-CB 4.31Å; I325-N329 PolarHBondContact N-OD1 2.98Å
326S95.4Very high96.1Very high43 Ų4348.8 Ų48.830%0.30125%0.247SC..SBendtrans-142.8165.3-17575.70000111.8V328 N329 W330S326-V328 VanDerWaalsContact C-N 3.27Å; S326-V328 PolarHBondContact O-N 2.93Å; S326-N329 PolarHBondContact O-N 3.3Å; S326-N329 WeakPolarHBondContact OG-CB 3.26Å; S326-N329 PolarHBondContact OG-N 2.97Å; S326-N329 VanDerWaalsContact OG-N 3.16Å; S326-W330 PolarHBondContact O-N 3.4Å
327K95.6Very high96.2Very high159 Ų15948.7 Ų48.769%0.69125%0.246SC*.Hα-helixtrans-61.6-35.4175.7-171.7175-178.3178.20112.4W330 I331K327-W330 HydrophobicContact CG-CE3 4.46Å; K327-W330 PolarHBondContact O-N 3.34Å; K327-I331 WeakPolarHBondContact O-CG1 3.41Å; K327-I331 PolarHBondContact O-N 2.94Å
328V95.3Very high96.3Very high99 Ų9948.9 Ų48.960%0.626%0.257SS*.Hα-helixtrans-66.4-46.2176.6177.90000110.1S326 W330 I331 M332S326-V328 VanDerWaalsContact C-N 3.27Å; S326-V328 PolarHBondContact O-N 2.93Å; V328-W330 VanDerWaalsContact C-N 3.32Å; V328-W330 PolarHBondContact O-N 3.46Å; V328-I331 PolarHBondContact O-N 2.9Å; V328-M332 HydrophobicContact CG1-SD 4.27Å; V328-M332 WeakPolarHBondContact O-CG 3.5Å; V328-M332 PolarHBondContact O-N 2.98Å
329N95.9Very high96.4Very high7 Ų752.7 Ų52.74%0.03728%0.28CS..Hα-helixtrans-62.2-40176.3178-148.4000112.2S280 Y324 I325 S326 I331 M332 N333S280-N329 VanDerWaalsContact OG-CB 3.31Å; S280-N329 WeakPolarHBondContact OG-CB 3.47Å; Y324-N329 WeakPolarHBondContact CA-OD1 3.4Å; Y324-N329 WeakPolarHBondContact CB-OD1 3.37Å; I325-N329 HydrophobicContact CG2-CB 4.31Å; I325-N329 PolarHBondContact N-OD1 2.98Å; S326-N329 PolarHBondContact O-N 3.3Å; S326-N329 WeakPolarHBondContact OG-CB 3.26Å; S326-N329 PolarHBondContact OG-N 2.97Å; S326-N329 VanDerWaalsContact OG-N 3.16Å; N329-I331 PolarHBondContact O-N 3.18Å; N329-M332 PolarHBondContact O-N 2.93Å; N329-N333 PolarHBondContact ND2-ND2 2.78Å; N329-N333 PolarHBondContact ND2-OD1 3.31Å; N329-N333 WeakPolarHBondContact O-CB 3.33Å; N329-N333 PolarHBondContact O-N 3.31Å; N329-N333 PolarHBondContact O-OD1 3.22Å
330W96.9Very high96.3Very high104 Ų10455 Ų5539%0.39429%0.291SS..Hα-helixtrans-57.4-47.9172.3174.171.8000112.3Y324 S326 K327 V328 M332 N333 K334Y324-W330 HydrophobicContact CD1-CB 3.92Å; Y324-W330 AromaticContact CD1-CD1 3.49Å; Y324-W330 VanDerWaalsContact CD1-CD1 3.49Å; Y324-W330 HydrophobicContact CD1-CG 4.07Å; Y324-W330 HydrophobicContact CD2-CB 3.75Å; Y324-W330 HydrophobicContact CD2-CG 4.47Å; Y324-W330 HydrophobicContact CE1-CB 4.21Å; Y324-W330 AromaticContact CE1-CD1 3.25Å; Y324-W330 AromaticContact CE1-CG 3.99Å; Y324-W330 HydrophobicContact CE1-CG 3.99Å; Y324-W330 HydrophobicContact CE2-CB 4.08Å; Y324-W330 HydrophobicContact CE2-CG 4.4Å; Y324-W330 HydrophobicContact CG-CB 3.66Å; Y324-W330 HydrophobicContact CG-CG 4.31Å; Y324-W330 AromaticContact CZ-CD1 3.76Å; S326-W330 PolarHBondContact O-N 3.4Å; K327-W330 HydrophobicContact CG-CE3 4.46Å; K327-W330 PolarHBondContact O-N 3.34Å; V328-W330 VanDerWaalsContact C-N 3.32Å; V328-W330 PolarHBondContact O-N 3.46Å; W330-M332 VanDerWaalsContact C-N 3.33Å; W330-M332 PolarHBondContact O-N 2.68Å; W330-N333 PolarHBondContact O-N 3.06Å; W330-K334 HydrophobicContact CD2-CG 4.49Å; W330-K334 HydrophobicContact CZ2-CG 4.34Å; W330-K334 WeakPolarHBondContact O-CG 3.45Å; W330-K334 PolarHBondContact O-N 2.94Å
331I97.3Very high96.4Very high92 Ų9254.8 Ų54.847%0.47229%0.29SS..Hα-helixtrans-59.5-45.7176.4-67.6167000110.4K327 V328 N329 N333 K334 A335K327-I331 WeakPolarHBondContact O-CG1 3.41Å; K327-I331 PolarHBondContact O-N 2.94Å; V328-I331 PolarHBondContact O-N 2.9Å; N329-I331 PolarHBondContact O-N 3.18Å; I331-N333 PolarHBondContact O-N 2.58Å; I331-K334 PolarHBondContact O-N 3.4Å; I331-A335 WeakPolarHBondContact O-CB 3.45Å; I331-A335 PolarHBondContact O-N 2.92Å
332M95.5Very high96.5Very high116 Ų11660.3 Ų60.357%0.57131%0.311SS*.Hα-helixtrans-61.3-44.9178.8-70.6178.465.600112V328 N329 W330 K334 A335 L336V328-M332 HydrophobicContact CG1-SD 4.27Å; V328-M332 WeakPolarHBondContact O-CG 3.5Å; V328-M332 PolarHBondContact O-N 2.98Å; N329-M332 PolarHBondContact O-N 2.93Å; W330-M332 VanDerWaalsContact C-N 3.33Å; W330-M332 PolarHBondContact O-N 2.68Å; M332-K334 VanDerWaalsContact C-N 3.34Å; M332-K334 PolarHBondContact O-N 2.92Å; M332-A335 PolarHBondContact O-N 3.33Å; M332-L336 WeakPolarHBondContact O-CB 3.45Å; M332-L336 PolarHBondContact O-N 2.94Å
333N96.1Very high96.6Very high9 Ų963.2 Ų63.25%0.04833%0.326CS..Hα-helixtrans-67.4-35.7179.3-71.73.8000111.7L321 S323 N329 W330 I331 L336 F337L321-N333 WeakPolarHBondContact O-CB 3.38Å; S323-N333 PolarHBondContact O-ND2 3.01Å; N329-N333 PolarHBondContact ND2-ND2 2.78Å; N329-N333 PolarHBondContact ND2-OD1 3.31Å; N329-N333 WeakPolarHBondContact O-CB 3.33Å; N329-N333 PolarHBondContact O-N 3.31Å; N329-N333 PolarHBondContact O-OD1 3.22Å; W330-N333 PolarHBondContact O-N 3.06Å; I331-N333 PolarHBondContact O-N 2.58Å; N333-L336 PolarHBondContact O-N 3.22Å; N333-F337 VanDerWaalsContact O-CB 3.3Å; N333-F337 WeakPolarHBondContact O-CB 3.45Å; N333-F337 PolarHBondContact O-N 2.87Å
334K96.6Very high96.6Very high45 Ų4563 Ų6320%0.19633%0.325CS..Hα-helixtrans-70.7-34.7173.4-67.7-61173.5-171.30113E322 W330 I331 M332 F337 A338 H449E322-K334 IonicContact OE1-NZ 3.53Å; E322-K334 PolarHBondContact OE1-NZ 3.12Å; E322-K334 IonicContact OE2-NZ 3.62Å; E322-K334 PolarHBondContact OE2-NZ 3.43Å; W330-K334 HydrophobicContact CD2-CG 4.49Å; W330-K334 HydrophobicContact CZ2-CG 4.34Å; W330-K334 WeakPolarHBondContact O-CG 3.45Å; W330-K334 PolarHBondContact O-N 2.94Å; I331-K334 PolarHBondContact O-N 3.4Å; M332-K334 VanDerWaalsContact C-N 3.34Å; M332-K334 PolarHBondContact O-N 2.92Å; K334-F337 WeakPolarHBondContact O-CB 3.28Å; K334-A338 WeakPolarHBondContact O-CB 2.95Å; K334-A338 PolarHBondContact O-N 3.43Å; K334-H449 PolarHBondContact NZ-ND1 3.35Å; K334-H449 VanDerWaalsContact NZ-ND1 3.17Å
335A96.8Very high96.6Very high50 Ų5066.5 Ų66.541%0.41334%0.338SS..Hα-helixtrans-64.5-47170.700000111I331 M332 F337 A338 V339I331-A335 WeakPolarHBondContact O-CB 3.45Å; I331-A335 PolarHBondContact O-N 2.92Å; M332-A335 PolarHBondContact O-N 3.33Å; A335-F337 VanDerWaalsContact C-N 3.34Å; A335-F337 PolarHBondContact O-N 2.92Å; A335-A338 PolarHBondContact O-N 3.4Å; A335-V339 WeakPolarHBondContact O-CB 3.11Å; A335-V339 VanDerWaalsContact O-CG2 3.29Å; A335-V339 WeakPolarHBondContact O-CG2 3.2Å; A335-V339 PolarHBondContact O-N 3.27Å
336L95.2Very high96.7Very high85 Ų8565 Ų6545%0.44533%0.333SS..Hα-helixtrans-61-42.5176.7-178.657000111.6L321 M332 N333 H340L321-L336 HydrophobicContact CD1-CG 4.43Å; L321-L336 HydrophobicContact CD2-CD2 3.6Å; L321-L336 HydrophobicContact CD2-CG 4.11Å; M332-L336 WeakPolarHBondContact O-CB 3.45Å; M332-L336 PolarHBondContact O-N 2.94Å; N333-L336 PolarHBondContact O-N 3.22Å; L336-H340 WeakPolarHBondContact O-CB 3.38Å; L336-H340 PolarHBondContact O-N 3.34Å
337F96.4Very high96.8Very high23 Ų2363.1 Ų63.110%0.10132%0.319CS..Hα-helixtrans-54.1-53.9171.9175.7-77.1000111.4L321 N333 K334 A335 C341 A445 F446 H449L321-F337 HydrophobicContact CD1-CB 4.2Å; N333-F337 VanDerWaalsContact O-CB 3.3Å; N333-F337 WeakPolarHBondContact O-CB 3.45Å; N333-F337 PolarHBondContact O-N 2.87Å; K334-F337 WeakPolarHBondContact O-CB 3.28Å; A335-F337 VanDerWaalsContact C-N 3.34Å; A335-F337 PolarHBondContact O-N 2.92Å; F337-C341 WeakPolarHBondContact O-CB 3.33Å; F337-C341 PolarHBondContact O-N 3.26Å; F337-C341 PolarHBondContact O-SG 3.21Å; F337-A445 HydrophobicContact CD2-CB 3.99Å; F337-A445 VanDerWaalsContact CE2-C 3.5Å; F337-A445 HydrophobicContact CE2-CB 3.41Å; F337-A445 VanDerWaalsContact CE2-CB 3.41Å; F337-A445 WeakPolarHBondContact CE2-O 3.31Å; F337-A445 HydrophobicContact CZ-CB 3.86Å; F337-F446 HydrophobicContact CE1-CE1 4.47Å; F337-F446 HydrophobicContact CE1-CZ 4.42Å; F337-F446 HydrophobicContact CZ-CD1 4.32Å; F337-F446 HydrophobicContact CZ-CE1 4.39Å; F337-F446 HydrophobicContact CZ-CG 4.45Å; F337-H449 HydrophobicContact CE2-CB 4.43Å
338A97.7Very high97Very high55 Ų5556.1 Ų56.146%0.45529%0.29SS..Hα-helixtrans-67.1-44.2-174.800000111.9K334 A335 C341 Y342K334-A338 WeakPolarHBondContact O-CB 2.95Å; K334-A338 PolarHBondContact O-N 3.43Å; A335-A338 PolarHBondContact O-N 3.4Å; A338-C341 PolarHBondContact O-N 3.31Å; A338-Y342 WeakPolarHBondContact O-CB 3.36Å; A338-Y342 PolarHBondContact O-N 2.53Å
339V97.3Very high97.1Very high80 Ų8052.8 Ų52.849%0.48527%0.272SS..Hα-helixtrans-63.2-47.2178.4170.20000110.7A335 C341 Y342 L343A335-V339 WeakPolarHBondContact O-CB 3.11Å; A335-V339 VanDerWaalsContact O-CG2 3.29Å; A335-V339 WeakPolarHBondContact O-CG2 3.2Å; A335-V339 PolarHBondContact O-N 3.27Å; V339-C341 PolarHBondContact O-N 3.41Å; V339-Y342 PolarHBondContact O-N 3.26Å; V339-L343 HydrophobicContact CG1-CD1 3.75Å; V339-L343 HydrophobicContact CG1-CG 4.23Å; V339-L343 WeakPolarHBondContact O-CB 2.97Å; V339-L343 VanDerWaalsContact O-CG 3.28Å; V339-L343 WeakPolarHBondContact O-CG 3.46Å; V339-L343 PolarHBondContact O-N 2.8Å
340H96.5Very high97.2Very high49 Ų4952.4 Ų52.423%0.22727%0.271CS..Hα-helixtrans-64.4-43.8179.9-161163000110.6L336 Y342 L343 S344 Y441L336-H340 WeakPolarHBondContact O-CB 3.38Å; L336-H340 PolarHBondContact O-N 3.34Å; H340-Y342 VanDerWaalsContact C-N 3.32Å; H340-Y342 PolarHBondContact O-N 3.27Å; H340-L343 PolarHBondContact O-N 2.95Å; H340-S344 PolarHBondContact CD2-OG 2.86Å; H340-S344 WeakPolarHBondContact O-CB 3.28Å; H340-S344 PolarHBondContact O-N 3.38Å; H340-S344 PolarHBondContact O-OG 3.18Å; H340-S344 VanDerWaalsContact O-OG 3.05Å; H340-Y441 HydrophobicContact CB-CE1 3.59Å; H340-Y441 AromaticContact CD2-CD1 3.9Å; H340-Y441 AromaticContact CD2-CE1 3.72Å; H340-Y441 AromaticContact CD2-CZ 3.89Å; H340-Y441 AromaticContact CE1-CD2 3.84Å; H340-Y441 AromaticContact CE1-CE2 3.4Å; H340-Y441 WeakPolarHBondContact CE1-CE2 3.33Å; H340-Y441 AromaticContact CE1-CZ 3.61Å; H340-Y441 AromaticContact CG-CE1 3.37Å; H340-Y441 AromaticContact CG-CE2 3.92Å; H340-Y441 AromaticContact CG-CZ 3.3Å; H340-Y441 AromaticContact ND1-CE1 3.73Å; H340-Y441 AromaticContact ND1-CE2 3.4Å; H340-Y441 WeakPolarHBondContact ND1-CE2 3.48Å; H340-Y441 AromaticContact ND1-CZ 3.11Å; H340-Y441 PolarHBondContact ND1-OH 2.97Å; H340-Y441 VanDerWaalsContact ND1-OH 3.07Å; H340-Y441 AromaticContact NE2-CD2 3.98Å; H340-Y441 AromaticContact NE2-CE2 3.93Å
341C97.9Very high97.3Very high14 Ų1448.5 Ų48.510%0.09526%0.256CS..Hα-helixtrans-58-44175.3-74.70000113.1F337 A338 V339 W345 P442F337-C341 WeakPolarHBondContact O-CB 3.33Å; F337-C341 PolarHBondContact O-N 3.26Å; F337-C341 PolarHBondContact O-SG 3.21Å; A338-C341 PolarHBondContact O-N 3.31Å; V339-C341 PolarHBondContact O-N 3.41Å; C341-W345 PolarHBondContact O-N 3.41Å; C341-P442 HydrophobicContact CB-CB 4.22Å; C341-P442 HydrophobicContact CB-CG 4.22Å
342Y97.8Very high97.2Very high125 Ų12547.9 Ų47.949%0.4926%0.256SS..Hα-helixtrans-63.4-46.6177.2175.5-100.9000111.9Q29 A338 V339 H340 G346Q29-Y342 PolarHBondContact NE2-OH 3.05Å; Q29-Y342 PolarHBondContact OE1-OH 2.79Å; A338-Y342 WeakPolarHBondContact O-CB 3.36Å; A338-Y342 PolarHBondContact O-N 2.53Å; V339-Y342 PolarHBondContact O-N 3.26Å; H340-Y342 VanDerWaalsContact C-N 3.32Å; H340-Y342 PolarHBondContact O-N 3.27Å; Y342-G346 WeakPolarHBondContact O-CA 3.31Å; Y342-G346 PolarHBondContact O-N 3.33Å
343L97.6Very high97.4Very high71 Ų7143.5 Ų43.537%0.37224%0.235SC..Hα-helixtrans-65.2-42179.2-69.4175.8000111.8I33 V339 H340 G346 F347I33-L343 HydrophobicContact CD1-CD2 3.93Å; I33-L343 HydrophobicContact CG1-CD2 4.07Å; V339-L343 HydrophobicContact CG1-CD1 3.75Å; V339-L343 HydrophobicContact CG1-CG 4.23Å; V339-L343 WeakPolarHBondContact O-CB 2.97Å; V339-L343 VanDerWaalsContact O-CG 3.28Å; V339-L343 WeakPolarHBondContact O-CG 3.46Å; V339-L343 PolarHBondContact O-N 2.8Å; H340-L343 PolarHBondContact O-N 2.95Å; L343-G346 PolarHBondContact O-N 2.97Å; L343-F347 WeakPolarHBondContact O-CB 3.31Å; L343-F347 PolarHBondContact O-N 3.23Å
344S97.9Very high97.4Very high0 Ų043.5 Ų43.50%024%0.236CC..Hα-helixtrans-66.2-46.8-178.9-61.30000112.5H340 F347 V348 N438H340-S344 PolarHBondContact CD2-OG 2.86Å; H340-S344 WeakPolarHBondContact O-CB 3.28Å; H340-S344 PolarHBondContact O-N 3.38Å; H340-S344 PolarHBondContact O-OG 3.18Å; H340-S344 VanDerWaalsContact O-OG 3.05Å; S344-F347 WeakPolarHBondContact O-CB 3.4Å; S344-F347 PolarHBondContact O-N 3.44Å; S344-V348 WeakPolarHBondContact O-CG2 3.31Å; S344-V348 PolarHBondContact O-N 2.79Å; S344-V348 VanDerWaalsContact O-N 3.08Å; S344-N438 WeakPolarHBondContact CA-OD1 3.32Å; S344-N438 VanDerWaalsContact CB-O 3.23Å; S344-N438 WeakPolarHBondContact CB-O 3.35Å; S344-N438 WeakPolarHBondContact CB-OD1 3.43Å; S344-N438 PolarHBondContact OG-OD1 3.14Å; S344-N438 VanDerWaalsContact OG-OD1 3.12Å
345W98Very high97.4Very high128 Ų12846.3 Ų46.349%0.48525%0.252SS..Hα-helixtrans-74.7-31.3175.7-826.2000113C341 F347 V348 A349 F439 P442 I443C341-W345 PolarHBondContact O-N 3.41Å; W345-F347 VanDerWaalsContact C-N 3.26Å; W345-F347 PolarHBondContact O-N 3.18Å; W345-V348 PolarHBondContact O-N 3.49Å; W345-A349 VanDerWaalsContact O-CB 3.27Å; W345-A349 WeakPolarHBondContact O-CB 3.49Å; W345-A349 PolarHBondContact O-N 3.07Å; W345-F439 PolarHBondContact NE1-O 3.26Å; W345-P442 VanDerWaalsContact CD1-CG 3.46Å; W345-P442 HydrophobicContact CD2-CB 4.29Å; W345-P442 HydrophobicContact CD2-CG 4.2Å; W345-P442 HydrophobicContact CG-CG 3.94Å; W345-P442 HydrophobicContact CZ2-CB 4.08Å; W345-I443 HydrophobicContact CZ2-CG1 4.47Å
346G97.7Very high97.4Very high11 Ų1145.7 Ų45.711%0.11324%0.241CC..Hα-helixtrans-63.5-32.2170.500000112.8G30 Y342 L343 P350G30-G346 WeakPolarHBondContact CA-O 3.48Å; Y342-G346 WeakPolarHBondContact O-CA 3.31Å; Y342-G346 PolarHBondContact O-N 3.33Å; L343-G346 PolarHBondContact O-N 2.97Å; G346-P350 WeakPolarHBondContact O-CD 3.33Å
347F97.9Very high97.4Very high3 Ų341.6 Ų41.61%0.01322%0.22CC..Hα-helixtrans-70.9-43.9172177.4-97.6000112I33 C34 L343 S344 W345 P350 Y351 E395 M434 L435 N438I33-F347 HydrophobicContact CG2-CB 4.32Å; I33-F347 HydrophobicContact CG2-CD2 3.97Å; C34-F347 VanDerWaalsContact SG-CE2 3.59Å; L343-F347 WeakPolarHBondContact O-CB 3.31Å; L343-F347 PolarHBondContact O-N 3.23Å; S344-F347 WeakPolarHBondContact O-CB 3.4Å; S344-F347 PolarHBondContact O-N 3.44Å; W345-F347 VanDerWaalsContact C-N 3.26Å; W345-F347 PolarHBondContact O-N 3.18Å; F347-P350 WeakPolarHBondContact O-CD 3.44Å; F347-Y351 HydrophobicContact CD1-CE2 4.32Å; F347-Y351 AromaticContact CE1-CE2 3.94Å; F347-Y351 HydrophobicContact CE1-CE2 3.94Å; F347-Y351 HydrophobicContact CE2-CE2 4.2Å; F347-Y351 AromaticContact CZ-CE2 3.87Å; F347-Y351 HydrophobicContact CZ-CE2 3.87Å; F347-Y351 WeakPolarHBondContact O-CD2 3.38Å; F347-Y351 VanDerWaalsContact O-CE2 3.23Å; F347-Y351 WeakPolarHBondContact O-CE2 3.21Å; F347-E395 WeakPolarHBondContact CE2-OE1 3.36Å; F347-M434 HydrophobicContact CE1-CB 4.17Å; F347-M434 HydrophobicContact CZ-CB 4.37Å; F347-M434 HydrophobicContact CZ-CE 3.84Å; F347-L435 HydrophobicContact CE1-CD2 3.98Å; F347-N438 HydrophobicContact CD1-CB 4.04Å
348V98.2Very high97.4Very high13 Ų1343.7 Ų43.78%0.07923%0.232CC..Hα-helixtrans-77.3-35.3-176.2174.50000113.4S344 W345 Y351 V352 N438 F439S344-V348 WeakPolarHBondContact O-CG2 3.31Å; S344-V348 PolarHBondContact O-N 2.79Å; S344-V348 VanDerWaalsContact O-N 3.08Å; W345-V348 PolarHBondContact O-N 3.49Å; V348-Y351 WeakPolarHBondContact O-CB 3.18Å; V348-Y351 PolarHBondContact O-N 3.03Å; V348-V352 HydrophobicContact CG1-CG2 4.22Å; V348-V352 PolarHBondContact O-N 3.47Å; V348-N438 HydrophobicContact CG2-CB 3.69Å; V348-F439 HydrophobicContact CG1-CB 4.39Å; V348-F439 HydrophobicContact CG1-CD2 4.19Å; V348-F439 HydrophobicContact CG2-CB 4.29Å
349A98Very high97.2Very high28 Ų2843.8 Ų43.823%0.23123%0.226CC..Hα-helixtrans-54.7-42.1-172.800000114.3V26 W345 Y351 V352 M353V26-A349 HydrophobicContact CG1-CB 3.86Å; W345-A349 VanDerWaalsContact O-CB 3.27Å; W345-A349 WeakPolarHBondContact O-CB 3.49Å; W345-A349 PolarHBondContact O-N 3.07Å; A349-Y351 VanDerWaalsContact C-N 3.29Å; A349-Y351 PolarHBondContact O-N 2.96Å; A349-V352 WeakPolarHBondContact O-CB 3.35Å; A349-V352 PolarHBondContact O-N 3.22Å; A349-V352 VanDerWaalsContact O-N 3.17Å; A349-M353 WeakPolarHBondContact O-CG 3.47Å; A349-M353 PolarHBondContact O-N 3.49Å
350P98.1Very high96.9Very high0 Ų040 Ų400%020%0.204CC..Hα-helixtrans-65.3-29.5178.5-25.539.4000113.6Q27 G346 F347 M353 A354 L388Q27-P350 HydrophobicContact CB-CB 4.39Å; Q27-P350 HydrophobicContact CG-CB 4.12Å; Q27-P350 HydrophobicContact CG-CG 4.5Å; G346-P350 WeakPolarHBondContact O-CD 3.33Å; F347-P350 WeakPolarHBondContact O-CD 3.44Å; P350-M353 PolarHBondContact O-N 3.26Å; P350-A354 WeakPolarHBondContact O-CB 3.42Å; P350-A354 PolarHBondContact O-N 2.99Å; P350-L388 HydrophobicContact CB-CD1 4.16Å; P350-L388 HydrophobicContact CB-CD2 3.9Å
351Y98.1Very high96.7Very high21 Ų2138.8 Ų38.88%0.08220%0.202CC..Hα-helixtrans-69.6-37.5174.5-63.3-84.3000111.6F347 V348 A349 A354 I355 L388 T392 F431 L435F347-Y351 HydrophobicContact CD1-CE2 4.32Å; F347-Y351 AromaticContact CE1-CE2 3.94Å; F347-Y351 HydrophobicContact CE1-CE2 3.94Å; F347-Y351 HydrophobicContact CE2-CE2 4.2Å; F347-Y351 AromaticContact CZ-CE2 3.87Å; F347-Y351 HydrophobicContact CZ-CE2 3.87Å; F347-Y351 WeakPolarHBondContact O-CD2 3.38Å; F347-Y351 VanDerWaalsContact O-CE2 3.23Å; F347-Y351 WeakPolarHBondContact O-CE2 3.21Å; V348-Y351 WeakPolarHBondContact O-CB 3.18Å; V348-Y351 PolarHBondContact O-N 3.03Å; A349-Y351 VanDerWaalsContact C-N 3.29Å; A349-Y351 PolarHBondContact O-N 2.96Å; Y351-A354 PolarHBondContact O-N 2.71Å; Y351-I355 WeakPolarHBondContact O-CG1 3.32Å; Y351-I355 PolarHBondContact O-N 2.94Å; Y351-I355 VanDerWaalsContact O-N 3.11Å; Y351-L388 HydrophobicContact CD1-CD2 3.83Å; Y351-L388 HydrophobicContact CD1-CG 4.43Å; Y351-L388 HydrophobicContact CE1-CD1 4.26Å; Y351-L388 HydrophobicContact CE1-CD2 4.04Å; Y351-L388 HydrophobicContact CE1-CG 4.12Å; Y351-L388 HydrophobicContact CE2-CD1 4.33Å; Y351-L388 HydrophobicContact CG-CD2 4.13Å; Y351-T392 HydrophobicContact CE1-CG2 4.34Å; Y351-T392 WeakPolarHBondContact CE1-OG1 3.4Å; Y351-T392 PolarHBondContact OH-OG1 3.01Å; Y351-F431 HydrophobicContact CD1-CE2 4.23Å; Y351-F431 AromaticContact CD1-CZ 3.98Å; Y351-F431 HydrophobicContact CD1-CZ 3.98Å; Y351-F431 AromaticContact CE1-CE2 3.58Å; Y351-F431 HydrophobicContact CE1-CE2 3.58Å; Y351-F431 AromaticContact CE1-CZ 3.76Å; Y351-F431 HydrophobicContact CE1-CZ 3.76Å; Y351-L435 HydrophobicContact CD1-CD1 4.41Å; Y351-L435 HydrophobicContact CD1-CD2 3.96Å; Y351-L435 HydrophobicContact CD2-CD2 3.3Å; Y351-L435 HydrophobicContact CE1-CD2 4.19Å; Y351-L435 HydrophobicContact CE2-CD2 3.55Å; Y351-L435 HydrophobicContact CG-CD1 4.39Å; Y351-L435 HydrophobicContact CG-CD2 3.5Å
352V97.2Very high96.4Very high80 Ų8042.5 Ų42.549%0.48522%0.22SC..Hα-helixtrans-63.4-44.7173.3178.60000110.4V348 A349 I355 I356V348-V352 HydrophobicContact CG1-CG2 4.22Å; V348-V352 PolarHBondContact O-N 3.47Å; A349-V352 WeakPolarHBondContact O-CB 3.35Å; A349-V352 PolarHBondContact O-N 3.22Å; A349-V352 VanDerWaalsContact O-N 3.17Å; V352-I355 PolarHBondContact O-N 3.11Å; V352-I356 PolarHBondContact O-N 3.12Å
353M97.6Very high96.1Very high24 Ų2440.1 Ų40.112%0.11821%0.211CC..Hα-helixtrans-64.7-39.8176.2-64179-174.300111.9F18 A23 V26 Q27 A349 P350 I355 I356 H357F18-M353 HydrophobicContact CB-CG 4.46Å; F18-M353 HydrophobicContact CD1-CE 4.35Å; F18-M353 HydrophobicContact CD1-CG 4.11Å; F18-M353 HydrophobicContact CD1-SD 4.34Å; F18-M353 HydrophobicContact CD2-CB 3.82Å; F18-M353 HydrophobicContact CD2-CG 3.74Å; F18-M353 HydrophobicContact CE1-CE 4.4Å; F18-M353 HydrophobicContact CE1-CG 4.25Å; F18-M353 HydrophobicContact CE2-CB 4.2Å; F18-M353 HydrophobicContact CE2-CG 3.86Å; F18-M353 HydrophobicContact CG-CB 4.22Å; F18-M353 HydrophobicContact CG-CG 3.87Å; F18-M353 HydrophobicContact CG-SD 4.35Å; F18-M353 HydrophobicContact CZ-CG 4.13Å; A23-M353 HydrophobicContact CB-CE 4.44Å; A23-M353 HydrophobicContact CB-SD 4.37Å; V26-M353 HydrophobicContact CB-CE 4.29Å; V26-M353 HydrophobicContact CG1-CE 3.97Å; Q27-M353 HydrophobicContact CG-CB 4.37Å; Q27-M353 HydrophobicContact CG-SD 3.54Å; Q27-M353 VanDerWaalsContact CG-SD 3.54Å; A349-M353 WeakPolarHBondContact O-CG 3.47Å; A349-M353 PolarHBondContact O-N 3.49Å; P350-M353 PolarHBondContact O-N 3.26Å; M353-I355 VanDerWaalsContact C-N 3.35Å; M353-I355 PolarHBondContact O-N 2.96Å; M353-I356 WeakPolarHBondContact O-CB 3.38Å; M353-I356 PolarHBondContact O-N 3.4Å; M353-I356 VanDerWaalsContact O-N 3.1Å; M353-H357 PolarHBondContact O-CD2 3.45Å; M353-H357 PolarHBondContact O-N 3.32Å
354A97.6Very high95.6Very high8 Ų837.7 Ų37.77%0.06620%0.198CC..Hα-helixtrans-60.6-40.8178.200000112.4P350 Y351 I356 H357 I358 V385 L388P350-A354 WeakPolarHBondContact O-CB 3.42Å; P350-A354 PolarHBondContact O-N 2.99Å; Y351-A354 PolarHBondContact O-N 2.71Å; A354-I356 VanDerWaalsContact C-N 3.28Å; A354-I356 PolarHBondContact O-N 2.97Å; A354-H357 PolarHBondContact O-N 3.3Å; A354-I358 WeakPolarHBondContact O-CB 3.48Å; A354-I358 VanDerWaalsContact O-CG1 3.24Å; A354-I358 WeakPolarHBondContact O-CG1 3.33Å; A354-I358 PolarHBondContact O-N 3.31Å; A354-V385 HydrophobicContact CB-CG2 3.89Å; A354-L388 HydrophobicContact CB-CD2 3.99Å
355I96.9Very high95.1Very high105 Ų10547.2 Ų47.254%0.53824%0.235SC..Hα-helixtrans-58.9-42.2174.8-69.2165.3000110.8Y351 V352 M353 T359Y351-I355 WeakPolarHBondContact O-CG1 3.32Å; Y351-I355 PolarHBondContact O-N 2.94Å; Y351-I355 VanDerWaalsContact O-N 3.11Å; V352-I355 PolarHBondContact O-N 3.11Å; M353-I355 VanDerWaalsContact C-N 3.35Å; M353-I355 PolarHBondContact O-N 2.96Å; I355-T359 WeakPolarHBondContact O-CB 3.43Å; I355-T359 PolarHBondContact O-N 3.19Å; I355-T359 PolarHBondContact O-OG1 3.48Å
356I95.9Very high94.6Very high36 Ų3646.8 Ų46.819%0.18524%0.241CC..Hα-helixtrans-66.9-44.1178.1-66.4-60.2000111.3L11 L14 F18 V352 M353 A354 T359 S360L11-I356 HydrophobicContact CD1-CD1 4.03Å; L11-I356 HydrophobicContact CD1-CG2 4.07Å; L14-I356 HydrophobicContact CB-CG2 4.02Å; F18-I356 HydrophobicContact CD2-CB 3.99Å; F18-I356 HydrophobicContact CD2-CG1 4.43Å; F18-I356 HydrophobicContact CD2-CG2 3.88Å; F18-I356 HydrophobicContact CE2-CB 3.89Å; F18-I356 HydrophobicContact CE2-CG1 3.82Å; F18-I356 HydrophobicContact CE2-CG2 4Å; V352-I356 PolarHBondContact O-N 3.12Å; M353-I356 WeakPolarHBondContact O-CB 3.38Å; M353-I356 PolarHBondContact O-N 3.4Å; M353-I356 VanDerWaalsContact O-N 3.1Å; A354-I356 VanDerWaalsContact C-N 3.28Å; A354-I356 PolarHBondContact O-N 2.97Å; I356-T359 PolarHBondContact O-N 3.17Å; I356-S360 WeakPolarHBondContact O-CB 3.19Å; I356-S360 PolarHBondContact O-N 3.27Å; I356-S360 PolarHBondContact O-OG 3.16Å
357H95.8Very high94.1Very high0 Ų051.5 Ų51.50%026%0.258CS..Hα-helixtrans-60.8-47.4175.9-70.7-44.3000112.3S15 Q27 M353 A354 T359 S360 A361 V385S15-H357 PolarHBondContact O-CE1 2.86Å; S15-H357 PolarHBondContact OG-ND1 3.47Å; Q27-H357 PolarHBondContact NE2-NE2 3.43Å; M353-H357 PolarHBondContact O-CD2 3.45Å; M353-H357 PolarHBondContact O-N 3.32Å; A354-H357 PolarHBondContact O-N 3.3Å; H357-T359 PolarHBondContact O-N 3.19Å; H357-S360 PolarHBondContact O-N 2.86Å; H357-A361 WeakPolarHBondContact O-CB 3.23Å; H357-A361 PolarHBondContact O-N 3.42Å; H357-V385 HydrophobicContact CB-CG2 3.71Å
358I95.7Very high93.2Very high67 Ų6753 Ų5334%0.34428%0.275SS..Hα-helixtrans-60.6-48177.8-68.1165.1000110.5A354 S360 A361 L362 M382 V385A354-I358 WeakPolarHBondContact O-CB 3.48Å; A354-I358 VanDerWaalsContact O-CG1 3.24Å; A354-I358 WeakPolarHBondContact O-CG1 3.33Å; A354-I358 PolarHBondContact O-N 3.31Å; I358-S360 VanDerWaalsContact C-N 3.3Å; I358-S360 PolarHBondContact O-N 3Å; I358-A361 PolarHBondContact O-N 3.26Å; I358-L362 HydrophobicContact CG2-CD1 3.79Å; I358-L362 HydrophobicContact CG2-CG 4.33Å; I358-L362 WeakPolarHBondContact O-CB 3.41Å; I358-L362 VanDerWaalsContact O-CG 3.29Å; I358-L362 WeakPolarHBondContact O-CG 3.42Å; I358-L362 PolarHBondContact O-N 2.94Å; I358-M382 HydrophobicContact CG1-SD 4.47Å; I358-V385 HydrophobicContact CD1-CG1 3.83Å; I358-V385 HydrophobicContact CG1-CG1 3.86Å; I358-V385 HydrophobicContact CG1-CG2 4.09Å
359T93.8Very high92.1Very high56 Ų5655.3 Ų55.334%0.34428%0.282SS..Hα-helixtrans-63.5-39.5-178.8-52.50000110.8L11 I355 I356 H357 R363L11-T359 HydrophobicContact CD1-CG2 4.22Å; L11-T359 HydrophobicContact CD2-CG2 3.77Å; I355-T359 WeakPolarHBondContact O-CB 3.43Å; I355-T359 PolarHBondContact O-N 3.19Å; I355-T359 PolarHBondContact O-OG1 3.48Å; I356-T359 PolarHBondContact O-N 3.17Å; H357-T359 PolarHBondContact O-N 3.19Å; T359-R363 WeakPolarHBondContact O-CB 3.19Å; T359-R363 VanDerWaalsContact O-CG 3.32Å; T359-R363 WeakPolarHBondContact O-CG 3.49Å; T359-R363 PolarHBondContact O-N 3.22Å
360S91.9Very high90.7Very high1 Ų162 Ų621%0.00731%0.309CS..Hα-helixtrans-63.2-49176.3-57.60000111.7L11 S15 I356 H357 I358 L362 R363 I364L11-S360 WeakPolarHBondContact CG-OG 3.48Å; S15-S360 VanDerWaalsContact CB-OG 3.25Å; S15-S360 WeakPolarHBondContact CB-OG 3.44Å; I356-S360 WeakPolarHBondContact O-CB 3.19Å; I356-S360 PolarHBondContact O-N 3.27Å; I356-S360 PolarHBondContact O-OG 3.16Å; H357-S360 PolarHBondContact O-N 2.86Å; I358-S360 VanDerWaalsContact C-N 3.3Å; I358-S360 PolarHBondContact O-N 3Å; S360-L362 PolarHBondContact O-N 3.45Å; S360-R363 PolarHBondContact O-N 3.01Å; S360-I364 WeakPolarHBondContact O-CG1 3.32Å; S360-I364 PolarHBondContact O-N 3.37Å
361A91.8Very high89.5Confident23 Ų2367.9 Ų67.919%0.1934%0.336CS..Hα-helixtrans-61.8-42.2178.500000112.1H357 I358 I364 Y365 M382H357-A361 WeakPolarHBondContact O-CB 3.23Å; H357-A361 PolarHBondContact O-N 3.42Å; I358-A361 PolarHBondContact O-N 3.26Å; A361-I364 PolarHBondContact O-N 2.96Å; A361-Y365 WeakPolarHBondContact O-CB 3.36Å; A361-Y365 PolarHBondContact O-N 3.42Å; A361-M382 HydrophobicContact CB-CG 3.87Å; A361-M382 HydrophobicContact CB-SD 3.71Å
362L91.5Very high88.4Confident93 Ų9373.4 Ų73.449%0.48737%0.366SS..Hα-helixtrans-62.8-42.7175.3-73.6172000111.9I358 S360 Y365 I366I358-L362 HydrophobicContact CG2-CD1 3.79Å; I358-L362 HydrophobicContact CG2-CG 4.33Å; I358-L362 WeakPolarHBondContact O-CB 3.41Å; I358-L362 VanDerWaalsContact O-CG 3.29Å; I358-L362 WeakPolarHBondContact O-CG 3.42Å; I358-L362 PolarHBondContact O-N 2.94Å; S360-L362 PolarHBondContact O-N 3.45Å; L362-Y365 PolarHBondContact O-N 2.92Å; L362-I366 WeakPolarHBondContact O-CB 3.38Å; L362-I366 WeakPolarHBondContact O-CD1 3.36Å; L362-I366 WeakPolarHBondContact O-CG1 3.39Å; L362-I366 PolarHBondContact O-N 3.43Å
363R90.2Very high87.3Confident75 Ų7576.3 Ų76.328%0.28338%0.375SS..Hα-helixtrans-62.7-45.5176.9-79.4-63.5-144.8-148.7-2.2112.2D8 L11 F12 T359 S360 Y365 I366 K367D8-R363 WeakPolarHBondContact OD1-CD 3.39Å; D8-R363 IonicContact OD1-CZ 3.62Å; D8-R363 IonicContact OD1-NE 2.99Å; D8-R363 PolarHBondContact OD1-NE 2.94Å; D8-R363 IonicContact OD1-NH2 2.71Å; D8-R363 IonicContact OD2-NE 3.49Å; L11-R363 HydrophobicContact CD2-CB 4.35Å; L11-R363 HydrophobicContact CD2-CG 3.79Å; F12-R363 HydrophobicContact CE1-CB 3.91Å; F12-R363 HydrophobicContact CZ-CB 4Å; T359-R363 WeakPolarHBondContact O-CB 3.19Å; T359-R363 VanDerWaalsContact O-CG 3.32Å; T359-R363 WeakPolarHBondContact O-CG 3.49Å; T359-R363 PolarHBondContact O-N 3.22Å; S360-R363 PolarHBondContact O-N 3.01Å; R363-Y365 VanDerWaalsContact C-N 3.33Å; R363-Y365 PolarHBondContact O-N 2.93Å; R363-I366 PolarHBondContact O-N 2.8Å; R363-K367 WeakPolarHBondContact O-CB 3.5Å; R363-K367 PolarHBondContact O-N 2.93Å
364I88.3Confident86.2Confident20 Ų2075.6 Ų75.610%0.10337%0.371CS..Hα-helixtrans-57.6-47.8175.8-71164.2000110.6F12 S360 A361 G368 Y369 D374 T375 A378F12-I364 HydrophobicContact CD1-CD1 4.4Å; F12-I364 HydrophobicContact CD1-CG1 4.4Å; F12-I364 HydrophobicContact CE1-CD1 4.11Å; F12-I364 HydrophobicContact CE1-CG1 3.67Å; F12-I364 HydrophobicContact CZ-CG1 3.77Å; S360-I364 WeakPolarHBondContact O-CG1 3.32Å; S360-I364 PolarHBondContact O-N 3.37Å; A361-I364 PolarHBondContact O-N 2.96Å; I364-G368 WeakPolarHBondContact O-CA 3.47Å; I364-G368 PolarHBondContact O-N 3.36Å; I364-Y369 WeakPolarHBondContact CG2-O 3.38Å; I364-Y369 PolarHBondContact O-N 3.4Å; I364-D374 HydrophobicContact CD1-CB 4.06Å; I364-D374 WeakPolarHBondContact CD1-O 3.4Å; I364-T375 HydrophobicContact CG2-CG2 4.21Å; I364-A378 HydrophobicContact CD1-CB 3.59Å
365Y87.6Confident85.3Confident199 Ų19977.6 Ų77.678%0.7838%0.383SS*.Hα-helixtrans-63.1-47.5179179.9-101000112.8A361 L362 R363A361-Y365 WeakPolarHBondContact O-CB 3.36Å; A361-Y365 PolarHBondContact O-N 3.42Å; L362-Y365 PolarHBondContact O-N 2.92Å; R363-Y365 VanDerWaalsContact C-N 3.33Å; R363-Y365 PolarHBondContact O-N 2.93Å
366I87.6Confident84.6Confident119 Ų11976.5 Ų76.561%0.6138%0.381SS*.Hα-helixtrans-69.2-40.1-175.9-69.2166.4000112L362 R363L362-I366 WeakPolarHBondContact O-CB 3.38Å; L362-I366 WeakPolarHBondContact O-CD1 3.36Å; L362-I366 WeakPolarHBondContact O-CG1 3.39Å; L362-I366 PolarHBondContact O-N 3.43Å; R363-I366 PolarHBondContact O-N 2.8Å
367K85.9Confident83.9Confident111 Ų11176 Ų7648%0.48338%0.381SS..Hα-helixtrans-90.6-11.5-176-73.2-74.5-174.9172.80113.7R363 Y369R363-K367 WeakPolarHBondContact O-CB 3.5Å; R363-K367 PolarHBondContact O-N 2.93Å; K367-Y369 HydrophobicContact CB-CD2 3.5Å; K367-Y369 HydrophobicContact CB-CE2 3.29Å; K367-Y369 HydrophobicContact CB-CG 4.34Å; K367-Y369 HydrophobicContact CG-CD2 4.35Å; K367-Y369 HydrophobicContact CG-CE2 3.7Å
368G79.4Confident83.4Confident35 Ų3576.5 Ų76.536%0.36139%0.385SS..THydrogen-bonded Turntrans66.138.8-175.400000112.3I364 H370I364-G368 WeakPolarHBondContact O-CA 3.47Å; I364-G368 PolarHBondContact O-N 3.36Å; G368-H370 PolarHBondContact O-CD2 2.85Å; G368-H370 PolarHBondContact O-N 2.97Å; G368-H370 PolarHBondContact O-NE2 3Å
369Y76.2Confident83Confident60 Ų6076.7 Ų76.724%0.23539%0.392CS..  trans-68.8119.4172.9-70.7-69.4000109F12 I364 K367F12-Y369 AromaticContact CE2-CD2 3.81Å; F12-Y369 HydrophobicContact CE2-CD2 3.81Å; F12-Y369 AromaticContact CE2-CE2 3.96Å; F12-Y369 HydrophobicContact CE2-CE2 3.96Å; F12-Y369 HydrophobicContact CE2-CG 4.21Å; F12-Y369 AromaticContact CZ-CD2 3.69Å; F12-Y369 HydrophobicContact CZ-CD2 3.69Å; F12-Y369 AromaticContact CZ-CE2 3.94Å; F12-Y369 HydrophobicContact CZ-CE2 3.94Å; F12-Y369 HydrophobicContact CZ-CG 4.44Å; I364-Y369 WeakPolarHBondContact CG2-O 3.38Å; I364-Y369 PolarHBondContact O-N 3.4Å; K367-Y369 HydrophobicContact CB-CD2 3.5Å; K367-Y369 HydrophobicContact CB-CE2 3.29Å; K367-Y369 HydrophobicContact CB-CG 4.34Å; K367-Y369 HydrophobicContact CG-CD2 4.35Å; K367-Y369 HydrophobicContact CG-CE2 3.7Å
370H68.6Low82.8Confident169 Ų16975.5 Ų75.578%0.78239%0.391SS*.  trans-107.316-176.5-67-67.6000113.8G368 L372G368-H370 PolarHBondContact O-CD2 2.85Å; G368-H370 PolarHBondContact O-N 2.97Å; G368-H370 PolarHBondContact O-NE2 3Å; H370-L372 PolarHBondContact O-N 3.12Å
371Q72.4Confident82.9Confident123 Ų12375.5 Ų75.558%0.57539%0.391SS*.  trans-64.1125.4175-66.8-172.9-2.300109.7E373 D374 T375Q371-E373 VanDerWaalsContact C-N 3.27Å; Q371-E373 PolarHBondContact O-N 3.35Å; Q371-D374 HydrophobicContact CB-CB 4.22Å; Q371-D374 PolarHBondContact O-N 2.86Å; Q371-D374 PolarHBondContact OE1-OD2 3.07Å; Q371-T375 PolarHBondContact O-N 2.91Å; Q371-T375 PolarHBondContact O-OG1 3.27Å; Q371-T375 VanDerWaalsContact O-OG1 3.13Å
372L74.2Confident83.1Confident137 Ų13777.3 Ų77.372%0.71740%0.396SS*.Hα-helixtrans-60.1-38-175-175.966.6000112H370 T375 T376H370-L372 PolarHBondContact O-N 3.12Å; L372-T375 WeakPolarHBondContact CA-OG1 3.33Å; L372-T375 PolarHBondContact O-OG1 3.47Å; L372-T376 WeakPolarHBondContact O-CB 3.43Å; L372-T376 PolarHBondContact O-N 3.25Å; L372-T376 PolarHBondContact O-OG1 3.14Å
373E74.2Confident83.3Confident141 Ų14179 Ų7966%0.65940%0.404SS*.Hα-helixtrans-64.4-46177.8-65.6-176.617900111.7Q371 T375 T376 S377Q371-E373 VanDerWaalsContact C-N 3.27Å; Q371-E373 PolarHBondContact O-N 3.35Å; E373-T375 PolarHBondContact O-N 3.45Å; E373-T376 PolarHBondContact O-N 2.83Å; E373-S377 PolarHBondContact O-N 3.05Å; E373-S377 PolarHBondContact O-OG 3.22Å
374D75.1Confident83.6Confident9 Ų977 Ų775%0.04840%0.398CS..Hα-helixtrans-64.9-41.2-179.9-71.2-18.5000111.7R16 I364 Q371 A378R16-D374 IonicContact CZ-OD1 3.88Å; R16-D374 IonicContact NH1-OD1 2.67Å; R16-D374 PolarHBondContact NH1-OD1 3.34Å; I364-D374 HydrophobicContact CD1-CB 4.06Å; I364-D374 WeakPolarHBondContact CD1-O 3.4Å; Q371-D374 HydrophobicContact CB-CB 4.22Å; Q371-D374 PolarHBondContact O-N 2.86Å; Q371-D374 PolarHBondContact OE1-OD2 3.07Å; D374-A378 WeakPolarHBondContact O-CB 3.14Å; D374-A378 PolarHBondContact O-N 3.25Å
375T79.1Confident84.1Confident51 Ų5177 Ų7731%0.31340%0.399SS..Hα-helixtrans-67.4-39.6177.852.10000112.4I364 Q371 L372 E373 A378 S379I364-T375 HydrophobicContact CG2-CG2 4.21Å; Q371-T375 PolarHBondContact O-N 2.91Å; Q371-T375 PolarHBondContact O-OG1 3.27Å; Q371-T375 VanDerWaalsContact O-OG1 3.13Å; L372-T375 WeakPolarHBondContact CA-OG1 3.33Å; L372-T375 PolarHBondContact O-OG1 3.47Å; E373-T375 PolarHBondContact O-N 3.45Å; T375-A378 PolarHBondContact O-N 2.86Å; T375-S379 WeakPolarHBondContact O-CB 3.5Å; T375-S379 PolarHBondContact O-N 3.29Å
376T82.4Confident84.6Confident82 Ų8271.5 Ų71.550%0.50338%0.382SS..Hα-helixtrans-66.4-49177.4-54.20000111L372 E373 A378 S379 G380L372-T376 WeakPolarHBondContact O-CB 3.43Å; L372-T376 PolarHBondContact O-N 3.25Å; L372-T376 PolarHBondContact O-OG1 3.14Å; E373-T376 PolarHBondContact O-N 2.83Å; T376-A378 VanDerWaalsContact C-N 3.33Å; T376-A378 PolarHBondContact O-N 3.33Å; T376-S379 PolarHBondContact O-N 2.85Å; T376-S379 VanDerWaalsContact O-N 3.16Å; T376-S379 PolarHBondContact O-OG 2.94Å; T376-G380 PolarHBondContact O-N 3.33Å
377S81Confident85.1Confident25 Ų2569.2 Ų69.218%0.17537%0.374CS..Hα-helixtrans-65.1-35.5177-690000112.7E373 G380 G381E373-S377 PolarHBondContact O-N 3.05Å; E373-S377 PolarHBondContact O-OG 3.22Å; S377-G380 PolarHBondContact O-N 3.33Å; S377-G381 PolarHBondContact O-N 3.5Å
378A84Confident85.7Confident10 Ų1064.2 Ų64.28%0.08335%0.352CS..Hα-helixtrans-62.8-42.5171.900000111.7I364 D374 T375 T376 G381 M382I364-A378 HydrophobicContact CD1-CB 3.59Å; D374-A378 WeakPolarHBondContact O-CB 3.14Å; D374-A378 PolarHBondContact O-N 3.25Å; T375-A378 PolarHBondContact O-N 2.86Å; T376-A378 VanDerWaalsContact C-N 3.33Å; T376-A378 PolarHBondContact O-N 3.33Å; A378-G381 PolarHBondContact O-N 2.85Å; A378-M382 WeakPolarHBondContact O-CB 3.23Å; A378-M382 VanDerWaalsContact O-CG 3.26Å; A378-M382 WeakPolarHBondContact O-CG 3.38Å; A378-M382 PolarHBondContact O-N 3.44Å
379S87.8Confident86.6Confident71 Ų7165.2 Ų65.250%0.49736%0.357SS..Hα-helixtrans-62.2-44.1176.977.20000112.5T375 T376 M382 M383T375-S379 WeakPolarHBondContact O-CB 3.5Å; T375-S379 PolarHBondContact O-N 3.29Å; T376-S379 PolarHBondContact O-N 2.85Å; T376-S379 VanDerWaalsContact O-N 3.16Å; T376-S379 PolarHBondContact O-OG 2.94Å; S379-M382 PolarHBondContact O-N 3.25Å; S379-M383 PolarHBondContact O-N 3.44Å; S379-M383 VanDerWaalsContact O-N 3.14Å
380G90.7Very high87.6Confident32 Ų3267 Ų6733%0.3337%0.37SS..Hα-helixtrans-66-43.3176.800000112.1T376 S377 M382 M383 L384T376-G380 PolarHBondContact O-N 3.33Å; S377-G380 PolarHBondContact O-N 3.33Å; G380-M382 PolarHBondContact O-N 2.95Å; G380-M383 PolarHBondContact O-N 3.46Å; G380-L384 PolarHBondContact O-N 3.16Å
381G94.1Very high89.1Confident0 Ų059.4 Ų59.40%034%0.335CS..Hα-helixtrans-60.1-41.8174.300000112.9S377 A378 M383 L384 V385S377-G381 PolarHBondContact O-N 3.5Å; A378-G381 PolarHBondContact O-N 2.85Å; G381-M383 VanDerWaalsContact C-N 3.35Å; G381-M383 PolarHBondContact O-N 2.88Å; G381-L384 WeakPolarHBondContact O-CB 3.46Å; G381-L384 PolarHBondContact O-N 3.37Å; G381-V385 WeakPolarHBondContact O-CG2 3.2Å; G381-V385 PolarHBondContact O-N 3.01Å
382M95.1Very high90.3Very high61 Ų6154 Ų5430%0.331%0.311SS..Hα-helixtrans-66.1-34.4177.1-73-55.2-58.700112.9I358 A361 A378 S379 G380 L384 V385 I386I358-M382 HydrophobicContact CG1-SD 4.47Å; A361-M382 HydrophobicContact CB-CG 3.87Å; A361-M382 HydrophobicContact CB-SD 3.71Å; A378-M382 WeakPolarHBondContact O-CB 3.23Å; A378-M382 VanDerWaalsContact O-CG 3.26Å; A378-M382 WeakPolarHBondContact O-CG 3.38Å; A378-M382 PolarHBondContact O-N 3.44Å; S379-M382 PolarHBondContact O-N 3.25Å; G380-M382 PolarHBondContact O-N 2.95Å; M382-L384 VanDerWaalsContact C-N 3.32Å; M382-L384 PolarHBondContact O-N 3.49Å; M382-V385 PolarHBondContact O-N 3.19Å; M382-I386 VanDerWaalsContact O-CG1 3.29Å; M382-I386 WeakPolarHBondContact O-CG1 3.44Å; M382-I386 PolarHBondContact O-N 3.04Å
383M95.7Very high91.5Very high130 Ų13054 Ų5464%0.6431%0.306SS*.Hα-helixtrans-62.9-39.3172.9-73.2-65.2-164.200112.1S379 G380 G381 I386 T387S379-M383 PolarHBondContact O-N 3.44Å; S379-M383 VanDerWaalsContact O-N 3.14Å; G380-M383 PolarHBondContact O-N 3.46Å; G381-M383 VanDerWaalsContact C-N 3.35Å; G381-M383 PolarHBondContact O-N 2.88Å; M383-I386 PolarHBondContact O-N 3.25Å; M383-T387 WeakPolarHBondContact O-CB 3.43Å; M383-T387 PolarHBondContact O-N 2.91Å; M383-T387 PolarHBondContact O-OG1 3.17Å
384L97.2Very high92.6Very high32 Ų3250.6 Ų50.617%0.16829%0.291CS..Hα-helixtrans-65.8-42.2175.4-62.3167.5000111.3V24 G380 G381 M382 I386 T387 L388V24-L384 HydrophobicContact CG1-CD2 4.34Å; V24-L384 HydrophobicContact CG2-CD1 4.03Å; G380-L384 PolarHBondContact O-N 3.16Å; G381-L384 WeakPolarHBondContact O-CB 3.46Å; G381-L384 PolarHBondContact O-N 3.37Å; M382-L384 VanDerWaalsContact C-N 3.32Å; M382-L384 PolarHBondContact O-N 3.49Å; L384-I386 PolarHBondContact O-N 2.95Å; L384-T387 PolarHBondContact O-N 2.8Å; L384-L388 WeakPolarHBondContact O-CB 3.4Å; L384-L388 PolarHBondContact O-N 3.24Å
385V97.8Very high93.7Very high19 Ų1950.2 Ų50.212%0.11529%0.289CS..Hα-helixtrans-59.3-46.4174.6172.30000111.6A354 H357 I358 G381 M382 T387 L388 A389A354-V385 HydrophobicContact CB-CG2 3.89Å; H357-V385 HydrophobicContact CB-CG2 3.71Å; I358-V385 HydrophobicContact CD1-CG1 3.83Å; I358-V385 HydrophobicContact CG1-CG1 3.86Å; I358-V385 HydrophobicContact CG1-CG2 4.09Å; G381-V385 WeakPolarHBondContact O-CG2 3.2Å; G381-V385 PolarHBondContact O-N 3.01Å; M382-V385 PolarHBondContact O-N 3.19Å; V385-T387 VanDerWaalsContact C-N 3.34Å; V385-L388 PolarHBondContact O-N 2.89Å; V385-A389 WeakPolarHBondContact O-CB 3.19Å; V385-A389 PolarHBondContact O-N 3.09Å
386I97.9Very high94.6Very high85 Ų8549.3 Ų49.344%0.43628%0.282SS..Hα-helixtrans-63.7-42.9179.3-69.7164.9000110.4M382 M383 L384 A389 I390M382-I386 VanDerWaalsContact O-CG1 3.29Å; M382-I386 WeakPolarHBondContact O-CG1 3.44Å; M382-I386 PolarHBondContact O-N 3.04Å; M383-I386 PolarHBondContact O-N 3.25Å; L384-I386 PolarHBondContact O-N 2.95Å; I386-A389 PolarHBondContact O-N 3.38Å; I386-I390 HydrophobicContact CG2-CD1 3.95Å; I386-I390 WeakPolarHBondContact O-CG1 3.45Å; I386-I390 PolarHBondContact O-N 3.02Å
387T98.1Very high95.4Very high70 Ų7049.6 Ų49.643%0.42928%0.28SS..Hα-helixtrans-61.3-47.9177.9-56.10000110.9M383 L384 V385 A389 I390 C391M383-T387 WeakPolarHBondContact O-CB 3.43Å; M383-T387 PolarHBondContact O-N 2.91Å; M383-T387 PolarHBondContact O-OG1 3.17Å; L384-T387 PolarHBondContact O-N 2.8Å; V385-T387 VanDerWaalsContact C-N 3.34Å; T387-A389 VanDerWaalsContact C-N 3.35Å; T387-A389 PolarHBondContact O-N 2.7Å; T387-I390 PolarHBondContact O-N 3Å; T387-C391 PolarHBondContact O-N 2.98Å; T387-C391 PolarHBondContact O-SG 3.29Å
388L98.4Very high96.2Very high6 Ų649.1 Ų49.13%0.03128%0.277CS..Hα-helixtrans-58-47.3175.4-179.662.9000111P350 Y351 A354 L384 V385 I390 C391 T392P350-L388 HydrophobicContact CB-CD1 4.16Å; P350-L388 HydrophobicContact CB-CD2 3.9Å; Y351-L388 HydrophobicContact CD1-CD2 3.83Å; Y351-L388 HydrophobicContact CD1-CG 4.43Å; Y351-L388 HydrophobicContact CE1-CD1 4.26Å; Y351-L388 HydrophobicContact CE1-CD2 4.04Å; Y351-L388 HydrophobicContact CE1-CG 4.12Å; Y351-L388 HydrophobicContact CE2-CD1 4.33Å; Y351-L388 HydrophobicContact CG-CD2 4.13Å; A354-L388 HydrophobicContact CB-CD2 3.99Å; L384-L388 WeakPolarHBondContact O-CB 3.4Å; L384-L388 PolarHBondContact O-N 3.24Å; V385-L388 PolarHBondContact O-N 2.89Å; L388-I390 VanDerWaalsContact C-N 3.31Å; L388-I390 PolarHBondContact O-N 3.28Å; L388-C391 WeakPolarHBondContact O-CB 3.39Å; L388-C391 PolarHBondContact O-N 3.34Å; L388-C391 VanDerWaalsContact O-N 3.12Å; L388-T392 PolarHBondContact O-N 2.83Å; L388-T392 PolarHBondContact O-OG1 3.12Å
389A98.2Very high96.8Very high56 Ų5648.7 Ų48.746%0.46327%0.273SS..Hα-helixtrans-59.9-39179.300000112.9V385 I386 T387 F393V385-A389 WeakPolarHBondContact O-CB 3.19Å; V385-A389 PolarHBondContact O-N 3.09Å; I386-A389 PolarHBondContact O-N 3.38Å; T387-A389 VanDerWaalsContact C-N 3.35Å; T387-A389 PolarHBondContact O-N 2.7Å; A389-F393 WeakPolarHBondContact O-CB 3.3Å; A389-F393 PolarHBondContact O-N 3.44Å
390I98.6Very high97.3Very high98 Ų9849.5 Ų49.550%0.50327%0.265SS..Hα-helixtrans-64.4-46.8174.3-67.9165.8000110.3I386 T387 L388 F393 I394I386-I390 HydrophobicContact CG2-CD1 3.95Å; I386-I390 WeakPolarHBondContact O-CG1 3.45Å; I386-I390 PolarHBondContact O-N 3.02Å; T387-I390 PolarHBondContact O-N 3Å; L388-I390 VanDerWaalsContact C-N 3.31Å; L388-I390 PolarHBondContact O-N 3.28Å; I390-F393 PolarHBondContact O-N 3.03Å; I390-I394 HydrophobicContact CG2-CD1 3.89Å; I390-I394 WeakPolarHBondContact O-CG1 3.48Å; I390-I394 PolarHBondContact O-N 3.3Å
391C98.6Very high97.6Very high9 Ų949.2 Ų49.26%0.06126%0.256CS..Hα-helixtrans-60.3-46.9177.4-71.20000112.1C31 C34 T387 L388 F393 I394 E395C31-C391 HydrophobicContact CB-CB 4.35Å; C34-C391 HydrophobicContact CB-CB 3.96Å; T387-C391 PolarHBondContact O-N 2.98Å; T387-C391 PolarHBondContact O-SG 3.29Å; L388-C391 WeakPolarHBondContact O-CB 3.39Å; L388-C391 PolarHBondContact O-N 3.34Å; L388-C391 VanDerWaalsContact O-N 3.12Å; C391-F393 VanDerWaalsContact C-N 3.31Å; C391-F393 PolarHBondContact O-N 3.35Å; C391-I394 PolarHBondContact O-N 3.22Å; C391-E395 WeakPolarHBondContact O-CB 3.48Å; C391-E395 PolarHBondContact O-N 3.26Å
392T98.3Very high97.8Very high10 Ų1049.2 Ų49.26%0.06126%0.256CS..Hα-helixtrans-59.8-40.7175.5-53.60000111.6Y351 L388 E395 L396 F431Y351-T392 HydrophobicContact CE1-CG2 4.34Å; Y351-T392 WeakPolarHBondContact CE1-OG1 3.4Å; Y351-T392 PolarHBondContact OH-OG1 3.01Å; L388-T392 PolarHBondContact O-N 2.83Å; L388-T392 PolarHBondContact O-OG1 3.12Å; T392-E395 PolarHBondContact O-N 3.42Å; T392-L396 HydrophobicContact CG2-CD1 4Å; T392-L396 HydrophobicContact CG2-CG 4.44Å; T392-L396 WeakPolarHBondContact O-CB 3.34Å; T392-L396 WeakPolarHBondContact O-CG 3.36Å; T392-L396 PolarHBondContact O-N 2.9Å; T392-F431 HydrophobicContact CG2-CD2 3.76Å; T392-F431 HydrophobicContact CG2-CE2 3.53Å
393F98.4Very high97.9Very high138 Ų13846.3 Ų46.361%0.60524%0.242SC*.Hα-helixtrans-64.5-43.9177.7178.9-99000111.9A389 I390 C391 E395 L397A389-F393 WeakPolarHBondContact O-CB 3.3Å; A389-F393 PolarHBondContact O-N 3.44Å; I390-F393 PolarHBondContact O-N 3.03Å; C391-F393 VanDerWaalsContact C-N 3.31Å; C391-F393 PolarHBondContact O-N 3.35Å; F393-E395 VanDerWaalsContact C-N 3.35Å; F393-L397 HydrophobicContact CE1-CD2 4.33Å; F393-L397 VanDerWaalsContact O-CB 3.26Å; F393-L397 WeakPolarHBondContact O-CB 3.25Å; F393-L397 PolarHBondContact O-N 3.13Å
394I98.5Very high98Very high69 Ų6944.1 Ų44.135%0.35423%0.226SC..Hα-helixtrans-61.5-45.2176.4-68.2166.6000110.5L35 A38 I390 C391 L397 S398L35-I394 HydrophobicContact CD2-CD1 4.16Å; L35-I394 HydrophobicContact CD2-CG2 4.29Å; A38-I394 HydrophobicContact CB-CG2 3.82Å; I390-I394 HydrophobicContact CG2-CD1 3.89Å; I390-I394 WeakPolarHBondContact O-CG1 3.48Å; I390-I394 PolarHBondContact O-N 3.3Å; C391-I394 PolarHBondContact O-N 3.22Å; I394-L397 PolarHBondContact O-N 3.31Å; I394-S398 PolarHBondContact O-N 3.5Å
395E98.1Very high98Very high0 Ų045.1 Ų45.10%023%0.228CC..Hα-helixtrans-57.5-55.3176.4178-175-166.900112.3C34 L37 A38 W41 F347 C391 T392 F393 L397 S398 M399 M434C34-E395 HydrophobicContact CB-CB 4.27Å; C34-E395 PolarHBondContact SG-OE2 2.92Å; C34-E395 VanDerWaalsContact SG-OE2 3.36Å; L37-E395 WeakPolarHBondContact CD1-OE1 3.45Å; A38-E395 HydrophobicContact CB-CB 4.46Å; W41-E395 HydrophobicContact CE3-CG 4.45Å; W41-E395 HydrophobicContact CH2-CG 4.12Å; W41-E395 HydrophobicContact CZ3-CG 3.48Å; W41-E395 VanDerWaalsContact CZ3-CG 3.48Å; F347-E395 WeakPolarHBondContact CE2-OE1 3.36Å; C391-E395 WeakPolarHBondContact O-CB 3.48Å; C391-E395 PolarHBondContact O-N 3.26Å; T392-E395 PolarHBondContact O-N 3.42Å; F393-E395 VanDerWaalsContact C-N 3.35Å; E395-L397 VanDerWaalsContact C-N 3.28Å; E395-L397 PolarHBondContact O-N 2.99Å; E395-S398 PolarHBondContact O-N 3.44Å; E395-M399 WeakPolarHBondContact O-CB 3.42Å; E395-M399 PolarHBondContact O-N 2.88Å; E395-M434 HydrophobicContact CG-CE 4.01Å; E395-M434 WeakPolarHBondContact OE1-CE 3.38Å
396L98.1Very high98Very high33 Ų3344.2 Ų44.217%0.17322%0.223CC..Hα-helixtrans-60.9-37.4179.3-74.2171.7000112.2T392 M399 W400 W427 V430 F431 M434T392-L396 HydrophobicContact CG2-CD1 4Å; T392-L396 HydrophobicContact CG2-CG 4.44Å; T392-L396 WeakPolarHBondContact O-CB 3.34Å; T392-L396 WeakPolarHBondContact O-CG 3.36Å; T392-L396 PolarHBondContact O-N 2.9Å; L396-M399 PolarHBondContact O-N 3.41Å; L396-W400 WeakPolarHBondContact O-CB 3.36Å; L396-W400 PolarHBondContact O-N 3.05Å; L396-W427 HydrophobicContact CD2-CE3 4.38Å; L396-V430 HydrophobicContact CD2-CG1 4.27Å; L396-F431 HydrophobicContact CD1-CB 4.25Å; L396-F431 HydrophobicContact CD1-CD2 4.31Å; L396-M434 HydrophobicContact CD2-CE 4.41Å; L396-M434 HydrophobicContact CD2-SD 3.5Å; L396-M434 VanDerWaalsContact CD2-SD 3.5Å; L396-M434 HydrophobicContact CG-SD 4.44Å
397L98.2Very high97.9Very high87 Ų8740.6 Ų40.646%0.45520%0.204SC..Hα-helixtrans-65.7-43177-17863.2000111.6F393 I394 E395 W400 N401F393-L397 HydrophobicContact CE1-CD2 4.33Å; F393-L397 VanDerWaalsContact O-CB 3.26Å; F393-L397 WeakPolarHBondContact O-CB 3.25Å; F393-L397 PolarHBondContact O-N 3.13Å; I394-L397 PolarHBondContact O-N 3.31Å; E395-L397 VanDerWaalsContact C-N 3.28Å; E395-L397 PolarHBondContact O-N 2.99Å; L397-W400 HydrophobicContact CD1-CE3 3.98Å; L397-W400 HydrophobicContact CD1-CZ3 4.2Å; L397-N401 WeakPolarHBondContact O-CB 3.06Å; L397-N401 PolarHBondContact O-N 3.45Å
398S98.3Very high97.9Very high16 Ų1639.8 Ų39.811%0.11220%0.196CC..Hα-helixtrans-63.4-44.6174.6-83.70000111.8A38 I394 E395 N401 L402A38-S398 WeakPolarHBondContact O-CB 3.2Å; A38-S398 PolarHBondContact O-OG 3.23Å; I394-S398 PolarHBondContact O-N 3.5Å; E395-S398 PolarHBondContact O-N 3.44Å; S398-N401 PolarHBondContact O-N 3.38Å; S398-L402 PolarHBondContact O-N 2.69Å
399M97.7Very high97.9Very high0 Ų039.5 Ų39.50%019%0.194CC..Hα-helixtrans-58-50.3176.2-165.6-172.9-171.100111.3W41 Y225 E226 M229 E395 L396 N401 L402 T403 W427 V430W41-M399 HydrophobicContact CD2-CB 4.32Å; W41-M399 HydrophobicContact CE3-CB 3.67Å; W41-M399 HydrophobicContact CE3-CG 4.24Å; W41-M399 HydrophobicContact CH2-CB 4.2Å; W41-M399 HydrophobicContact CH2-CG 4.08Å; W41-M399 HydrophobicContact CH2-SD 4.24Å; W41-M399 HydrophobicContact CZ2-CG 4.38Å; W41-M399 HydrophobicContact CZ3-CB 3.58Å; W41-M399 HydrophobicContact CZ3-CG 3.98Å; W41-M399 HydrophobicContact CZ3-SD 4.46Å; Y225-M399 HydrophobicContact CD1-CE 4.01Å; Y225-M399 HydrophobicContact CE1-CE 3.37Å; Y225-M399 HydrophobicContact CE1-SD 4.42Å; E226-M399 HydrophobicContact CB-CE 4.43Å; E226-M399 HydrophobicContact CG-CE 4.34Å; M229-M399 HydrophobicContact CB-CE 3.77Å; M229-M399 HydrophobicContact CE-CG 3.71Å; M229-M399 HydrophobicContact CG-CE 3.55Å; E395-M399 WeakPolarHBondContact O-CB 3.42Å; E395-M399 PolarHBondContact O-N 2.88Å; L396-M399 PolarHBondContact O-N 3.41Å; M399-N401 VanDerWaalsContact C-N 3.32Å; M399-N401 PolarHBondContact O-N 2.81Å; M399-L402 PolarHBondContact O-N 3.11Å; M399-T403 PolarHBondContact O-N 3.34Å; M399-T403 PolarHBondContact O-OG1 3.45Å; M399-W427 HydrophobicContact CB-CZ3 4.37Å; M399-W427 HydrophobicContact CG-CZ3 4.37Å; M399-W427 HydrophobicContact SD-CZ3 4.16Å; M399-V430 HydrophobicContact CE-CG1 4Å; M399-V430 HydrophobicContact SD-CG1 3.77Å
400W97.5Very high97.8Very high89 Ų8937.1 Ų37.134%0.33717%0.174SC..Hα-helixtrans-58.6-43176.2172.279.7000112.3L396 L397 R404 W427L396-W400 WeakPolarHBondContact O-CB 3.36Å; L396-W400 PolarHBondContact O-N 3.05Å; L397-W400 HydrophobicContact CD1-CE3 3.98Å; L397-W400 HydrophobicContact CD1-CZ3 4.2Å; W400-R404 WeakPolarHBondContact O-CB 3.31Å; W400-R404 PolarHBondContact O-N 3.17Å; W400-W427 HydrophobicContact CB-CE3 4.38Å; W400-W427 HydrophobicContact CB-CH2 3.53Å; W400-W427 HydrophobicContact CB-CZ2 3.73Å; W400-W427 HydrophobicContact CB-CZ3 3.86Å; W400-W427 AromaticContact CD1-CE2 3.47Å; W400-W427 VanDerWaalsContact CD1-CE2 3.47Å; W400-W427 AromaticContact CD1-CZ2 3.33Å; W400-W427 AromaticContact CD1-NE1 3.64Å; W400-W427 HydrophobicContact CG-CH2 4.24Å; W400-W427 AromaticContact CG-CZ2 3.93Å; W400-W427 HydrophobicContact CG-CZ2 3.93Å
401N97.7Very high97.8Very high25 Ų2534.5 Ų34.513%0.13416%0.161CC..Hα-helixtrans-62-47.4179.6-176.725.9000111.7E45 L397 S398 M399 R404 R405E45-N401 WeakPolarHBondContact CG-ND2 3.41Å; L397-N401 WeakPolarHBondContact O-CB 3.06Å; L397-N401 PolarHBondContact O-N 3.45Å; S398-N401 PolarHBondContact O-N 3.38Å; M399-N401 VanDerWaalsContact C-N 3.32Å; M399-N401 PolarHBondContact O-N 2.81Å; N401-R404 PolarHBondContact O-N 3.44Å; N401-R404 PolarHBondContact OD1-NH2 2.89Å; N401-R405 PolarHBondContact O-N 3.31Å
402L97.7Very high97.7Very high0 Ų035.8 Ų35.80%017%0.166CC..Hα-helixtrans-61-53.7177.3174.158000111.3W41 A44 E45 R48 M229 S232 S398 M399 R404 R405 E406W41-L402 HydrophobicContact CB-CB 4.31Å; W41-L402 HydrophobicContact CB-CD2 3.95Å; W41-L402 VanDerWaalsContact CD1-CD2 3.49Å; W41-L402 HydrophobicContact CG-CD2 3.95Å; A44-L402 HydrophobicContact CB-CD1 3.95Å; A44-L402 HydrophobicContact CB-CD2 3.87Å; E45-L402 HydrophobicContact CB-CB 4.42Å; E45-L402 HydrophobicContact CB-CD1 4.26Å; R48-L402 HydrophobicContact CG-CD1 4.41Å; M229-L402 HydrophobicContact CE-CB 4.45Å; M229-L402 HydrophobicContact CE-CD2 3.86Å; M229-L402 HydrophobicContact CE-CG 4.24Å; S232-L402 VanDerWaalsContact OG-CD2 3.25Å; S232-L402 WeakPolarHBondContact OG-CD2 3.33Å; S398-L402 PolarHBondContact O-N 2.69Å; M399-L402 PolarHBondContact O-N 3.11Å; L402-R404 VanDerWaalsContact C-N 3.25Å; L402-R404 PolarHBondContact O-N 3.32Å; L402-R405 WeakPolarHBondContact O-CA 3.39Å; L402-R405 WeakPolarHBondContact O-CB 3.45Å; L402-R405 PolarHBondContact O-N 3.08Å; L402-E406 HydrophobicContact CD1-CG 3.92Å; L402-E406 HydrophobicContact CG-CG 4.45Å; L402-E406 PolarHBondContact O-N 2.88Å
403T97.5Very high97.6Very high0 Ų035.4 Ų35.40%016%0.164CC..Hα-helixtrans-58.3-39.5-179.8-60.60000111.8L212 Y225 M229 M399 R405 E406 V407 L422 Y425L212-T403 HydrophobicContact CD1-CG2 4.4Å; Y225-T403 HydrophobicContact CE2-CG2 4.06Å; Y225-T403 WeakPolarHBondContact OH-CB 3.47Å; Y225-T403 PolarHBondContact OH-OG1 3.41Å; M229-T403 WeakPolarHBondContact CE-OG1 3.36Å; M399-T403 PolarHBondContact O-N 3.34Å; M399-T403 PolarHBondContact O-OG1 3.45Å; T403-R405 VanDerWaalsContact C-N 3.34Å; T403-R405 PolarHBondContact O-N 2.83Å; T403-E406 PolarHBondContact O-N 3.29Å; T403-V407 WeakPolarHBondContact O-CB 3.46Å; T403-V407 WeakPolarHBondContact O-CG2 3.48Å; T403-V407 PolarHBondContact O-N 3.45Å; T403-L422 HydrophobicContact CG2-CD1 4.38Å; T403-L422 HydrophobicContact CG2-CD2 4.12Å; T403-L422 HydrophobicContact CG2-CG 4.28Å; T403-Y425 HydrophobicContact CG2-CE1 4.13Å
404R97.3Very high97.5Very high84 Ų8429.7 Ų29.732%0.31714%0.141SC..Hα-helixtrans-60.6-41.3173.7178.9-172.964.1-173.42.6112.2W400 N401 L402 Q408 L422W400-R404 WeakPolarHBondContact O-CB 3.31Å; W400-R404 PolarHBondContact O-N 3.17Å; N401-R404 PolarHBondContact O-N 3.44Å; N401-R404 PolarHBondContact OD1-NH2 2.89Å; L402-R404 VanDerWaalsContact C-N 3.25Å; L402-R404 PolarHBondContact O-N 3.32Å; R404-Q408 WeakPolarHBondContact O-CB 3.29Å; R404-Q408 PolarHBondContact O-N 2.99Å; R404-L422 HydrophobicContact CB-CD1 4.49Å; R404-L422 HydrophobicContact CB-CD2 3.98Å
405R97.3Very high97.2Very high54 Ų5430.1 Ų30.120%0.20415%0.149CC..Hα-helixtrans-69.1-40.8176.8-73.5-45.6-172.8178.6-3.5112.7E45 N401 L402 T403 Q408 L409E45-R405 HydrophobicContact CG-CB 4.17Å; E45-R405 HydrophobicContact CG-CG 3.44Å; E45-R405 VanDerWaalsContact CG-CG 3.44Å; E45-R405 WeakPolarHBondContact OE1-CG 3.46Å; E45-R405 IonicContact OE1-CZ 3.86Å; E45-R405 IonicContact OE1-NE 2.94Å; E45-R405 PolarHBondContact OE1-NE 3.18Å; E45-R405 IonicContact OE1-NH2 2.75Å; N401-R405 PolarHBondContact O-N 3.31Å; L402-R405 WeakPolarHBondContact O-CA 3.39Å; L402-R405 WeakPolarHBondContact O-CB 3.45Å; L402-R405 PolarHBondContact O-N 3.08Å; T403-R405 VanDerWaalsContact C-N 3.34Å; T403-R405 PolarHBondContact O-N 2.83Å; R405-Q408 WeakPolarHBondContact O-CB 3.24Å; R405-Q408 PolarHBondContact O-N 2.88Å; R405-L409 WeakPolarHBondContact O-CB 3.46Å; R405-L409 PolarHBondContact O-N 3.44Å
406E97.2Very high96.9Very high0 Ų038.9 Ų38.90%019%0.19CC..Hα-helixtrans-65.1-42.8176.9-67.3-172.4139.200110.9R48 L212 V296 L402 T403 Q408 L409 C410R48-E406 HydrophobicContact CG-CG 4.12Å; R48-E406 IonicContact CZ-OE1 3.72Å; R48-E406 IonicContact NE-OE1 3.62Å; R48-E406 PolarHBondContact NE-OE1 3.49Å; R48-E406 IonicContact NH2-OE1 2.67Å; L212-E406 HydrophobicContact CD1-CB 4.25Å; L212-E406 HydrophobicContact CD2-CB 3.96Å; V296-E406 HydrophobicContact CG2-CB 4.34Å; V296-E406 HydrophobicContact CG2-CG 4.5Å; L402-E406 HydrophobicContact CD1-CG 3.92Å; L402-E406 HydrophobicContact CG-CG 4.45Å; L402-E406 PolarHBondContact O-N 2.88Å; T403-E406 PolarHBondContact O-N 3.29Å; E406-Q408 VanDerWaalsContact C-N 3.33Å; E406-Q408 PolarHBondContact O-N 3.21Å; E406-L409 PolarHBondContact O-N 3Å; E406-L409 VanDerWaalsContact O-N 3.15Å; E406-C410 WeakPolarHBondContact O-CB 3.23Å; E406-C410 PolarHBondContact O-N 2.8Å; E406-C410 PolarHBondContact O-SG 2.96Å
407V97.3Very high96.6Very high8 Ų839 Ų395%0.04820%0.195CC..Hα-helixtrans-58.3-44171.31590000112L212 T403 L409 N411 L420 L422L212-V407 HydrophobicContact CD2-CG2 3.93Å; T403-V407 WeakPolarHBondContact O-CB 3.46Å; T403-V407 WeakPolarHBondContact O-CG2 3.48Å; T403-V407 PolarHBondContact O-N 3.45Å; V407-L409 VanDerWaalsContact C-N 3.34Å; V407-L409 PolarHBondContact O-N 2.86Å; V407-N411 WeakPolarHBondContact O-CB 3.15Å; V407-N411 VanDerWaalsContact O-CG 3.26Å; V407-N411 PolarHBondContact O-N 3Å; V407-N411 PolarHBondContact O-ND2 3.49Å; V407-L420 HydrophobicContact CG1-CB 3.85Å; V407-L420 WeakPolarHBondContact CG1-O 3.43Å; V407-L420 HydrophobicContact CG2-CB 4.33Å; V407-L422 HydrophobicContact CB-CD1 3.68Å; V407-L422 HydrophobicContact CG1-CD1 3.8Å; V407-L422 HydrophobicContact CG2-CD1 3.55Å
408Q97.3Very high96.2Very high53 Ų5338.7 Ų38.725%0.24820%0.199CC..Hα-helixtrans-61.3-43.3175.1172.716645.400111.9V52 R404 R405 E406 N411 M412V52-Q408 HydrophobicContact CG1-CG 4.15Å; V52-Q408 HydrophobicContact CG2-CG 4.34Å; R404-Q408 WeakPolarHBondContact O-CB 3.29Å; R404-Q408 PolarHBondContact O-N 2.99Å; R405-Q408 WeakPolarHBondContact O-CB 3.24Å; R405-Q408 PolarHBondContact O-N 2.88Å; E406-Q408 VanDerWaalsContact C-N 3.33Å; E406-Q408 PolarHBondContact O-N 3.21Å; Q408-N411 PolarHBondContact O-N 3.31Å; Q408-M412 HydrophobicContact CG-SD 4.13Å; Q408-M412 WeakPolarHBondContact O-CG 3.47Å; Q408-M412 PolarHBondContact O-N 3.49Å; Q408-M412 VanDerWaalsContact O-N 3.1Å
409L97.5Very high96Very high0 Ų048.7 Ų48.70%023%0.234CC..Hα-helixtrans-65-48.6178.9-178.357.8000110.9R48 E51 V52 I55 P293 V296 R405 E406 V407 N411 M412 L413R48-L409 HydrophobicContact CB-CD2 4.43Å; E51-L409 HydrophobicContact CB-CD1 4.27Å; V52-L409 HydrophobicContact CG2-CB 3.92Å; V52-L409 HydrophobicContact CG2-CD1 4.03Å; V52-L409 HydrophobicContact CG2-CG 4.49Å; I55-L409 HydrophobicContact CD1-CD1 3.89Å; P293-L409 WeakPolarHBondContact O-CD2 3.21Å; V296-L409 HydrophobicContact CG1-CD2 3.92Å; V296-L409 HydrophobicContact CG1-CG 4.34Å; R405-L409 WeakPolarHBondContact O-CB 3.46Å; R405-L409 PolarHBondContact O-N 3.44Å; E406-L409 PolarHBondContact O-N 3Å; E406-L409 VanDerWaalsContact O-N 3.15Å; V407-L409 VanDerWaalsContact C-N 3.34Å; V407-L409 PolarHBondContact O-N 2.86Å; L409-N411 VanDerWaalsContact C-N 3.32Å; L409-N411 PolarHBondContact O-N 3.44Å; L409-M412 WeakPolarHBondContact O-CB 3.41Å; L409-M412 PolarHBondContact O-N 3.02Å; L409-L413 HydrophobicContact CD1-CD1 3.99Å; L409-L413 HydrophobicContact CD1-CG 4.05Å; L409-L413 HydrophobicContact CG-CD1 3.8Å; L409-L413 HydrophobicContact CG-CG 4.3Å; L409-L413 WeakPolarHBondContact O-CG 3.48Å; L409-L413 PolarHBondContact O-N 3.25Å
410C97.5Very high95.9Very high6 Ų649.9 Ų49.94%0.04124%0.24CC..Hα-helixtrans-55.5-44.6175.2-69.20000112.2P298 E406 M412 L413 S414 L420P298-C410 HydrophobicContact CG-CB 3.91Å; E406-C410 WeakPolarHBondContact O-CB 3.23Å; E406-C410 PolarHBondContact O-N 2.8Å; E406-C410 PolarHBondContact O-SG 2.96Å; C410-M412 VanDerWaalsContact C-N 3.27Å; C410-M412 PolarHBondContact O-N 2.91Å; C410-L413 PolarHBondContact O-N 3.11Å; C410-S414 PolarHBondContact O-N 2.89Å; C410-L420 HydrophobicContact CB-CD1 3.78Å
411N97.4Very high95.7Very high43 Ų4349 Ų4923%0.2325%0.247CC..Hα-helixtrans-63.1-32.6176.5-76.4-27.8000113V407 Q408 L409 R419 L420V407-N411 WeakPolarHBondContact O-CB 3.15Å; V407-N411 VanDerWaalsContact O-CG 3.26Å; V407-N411 PolarHBondContact O-N 3Å; V407-N411 PolarHBondContact O-ND2 3.49Å; Q408-N411 PolarHBondContact O-N 3.31Å; L409-N411 VanDerWaalsContact C-N 3.32Å; L409-N411 PolarHBondContact O-N 3.44Å; N411-R419 WeakPolarHBondContact OD1-CA 3.47Å; N411-L420 PolarHBondContact ND2-O 2.94Å; N411-L420 PolarHBondContact OD1-N 3.33Å
412M96.8Very high95.5Very high36 Ų3649 Ų4918%0.17725%0.247CC..Hα-helixtrans-78.3-33.6176.5-72.5176.358.400112.4V52 I55 K56 F67 Q408 L409 C410V52-M412 HydrophobicContact CG1-SD 3.88Å; I55-M412 HydrophobicContact CB-CE 3.48Å; I55-M412 VanDerWaalsContact CB-CE 3.48Å; I55-M412 HydrophobicContact CD1-CE 4.42Å; I55-M412 HydrophobicContact CG2-CE 3.33Å; K56-M412 HydrophobicContact CG-CE 3.73Å; K56-M412 HydrophobicContact CG-SD 4.34Å; F67-M412 VanDerWaalsContact CB-O 3.26Å; F67-M412 WeakPolarHBondContact CB-O 3.35Å; Q408-M412 HydrophobicContact CG-SD 4.13Å; Q408-M412 WeakPolarHBondContact O-CG 3.47Å; Q408-M412 PolarHBondContact O-N 3.49Å; Q408-M412 VanDerWaalsContact O-N 3.1Å; L409-M412 WeakPolarHBondContact O-CB 3.41Å; L409-M412 PolarHBondContact O-N 3.02Å; C410-M412 VanDerWaalsContact C-N 3.27Å; C410-M412 PolarHBondContact O-N 2.91Å
413L97Very high95.1Very high3 Ų353.3 Ų53.32%0.01628%0.283CS..Hα-helixtrans-74-28.3178.6-68.9172.8000112.6I55 F67 H187 P188 V294 L409 C410 P415I55-L413 HydrophobicContact CD1-CD2 4Å; F67-L413 WeakPolarHBondContact CD2-O 3.35Å; H187-L413 HydrophobicContact CB-CB 3.73Å; P188-L413 WeakPolarHBondContact CD-O 3.21Å; V294-L413 HydrophobicContact CB-CD1 4.01Å; V294-L413 HydrophobicContact CB-CD2 4.26Å; V294-L413 HydrophobicContact CG1-CD1 4.44Å; V294-L413 HydrophobicContact CG1-CD2 4.15Å; V294-L413 WeakPolarHBondContact O-CD1 3.19Å; L409-L413 HydrophobicContact CD1-CD1 3.99Å; L409-L413 HydrophobicContact CD1-CG 4.05Å; L409-L413 HydrophobicContact CG-CD1 3.8Å; L409-L413 HydrophobicContact CG-CG 4.3Å; L409-L413 WeakPolarHBondContact O-CG 3.48Å; L409-L413 PolarHBondContact O-N 3.25Å; C410-L413 PolarHBondContact O-N 3.11Å; L413-P415 WeakPolarHBondContact O-CD 3.48Å
414S96.1Very high94.7Very high18 Ų1858.4 Ų58.413%0.12631%0.314CS..  trans-126.170.9-178.8-59.50000111.8H187 C410 E416 A417H187-S414 VanDerWaalsContact CA-OG 3.31Å; H187-S414 WeakPolarHBondContact CA-OG 3.28Å; H187-S414 WeakPolarHBondContact CB-OG 3.4Å; C410-S414 PolarHBondContact O-N 2.89Å; S414-E416 PolarHBondContact O-N 3.37Å; S414-A417 WeakPolarHBondContact O-CB 3.45Å; S414-A417 PolarHBondContact O-N 3.44Å
415P92.8Very high94.6Very high78 Ų7855.4 Ų55.451%0.50630%0.303SS..THydrogen-bonded Turntrans-62.6-26.4-175.324.6-34.1000114.1F67 L413F67-P415 HydrophobicContact CD1-CG 4.33Å; F67-P415 HydrophobicContact CD2-CG 4.49Å; F67-P415 HydrophobicContact CE1-CG 4.02Å; F67-P415 HydrophobicContact CE2-CG 4.19Å; F67-P415 HydrophobicContact CZ-CG 3.95Å; L413-P415 WeakPolarHBondContact O-CD 3.48Å
416E90.3Very high94.5Very high184 Ų18456.5 Ų56.586%0.8631%0.313SS*.THydrogen-bonded Turntrans-84.3-12.7178.1-61.4-177.6176.200113.4S414S414-E416 PolarHBondContact O-N 3.37Å
417A91.5Very high94.5Very high35 Ų3559.5 Ų59.529%0.28932%0.324SS..SBendtrans-81.1156.5-17900000111.7S414 R419S414-A417 WeakPolarHBondContact O-CB 3.45Å; S414-A417 PolarHBondContact O-N 3.44Å; A417-R419 PolarHBondContact O-N 3.11Å
418P90.8Very high94.5Very high81 Ų8161.2 Ų61.253%0.52634%0.344SS..PPolyproline II helixtrans-55.3127171.5-24.734.1000111.3L420P418-L420 PolarHBondContact O-N 3.45Å
419R93.9Very high94.4Very high226 Ų22661.3 Ų61.385%0.85335%0.346SS*.PPolyproline II helixtrans-61.3126.8-177.9-73.9-171.6176.2177.30.9111.4N411 A417N411-R419 WeakPolarHBondContact OD1-CA 3.47Å; A417-R419 PolarHBondContact O-N 3.11Å
420L94.6Very high94.4Very high24 Ų2461.3 Ų61.313%0.12635%0.346CS..PPolyproline II helixtrans-78.3145.5172.6-50.4-177.3000110.1L214 P298 V407 C410 N411 P418L214-L420 HydrophobicContact CD1-CD1 4.48Å; L214-L420 HydrophobicContact CD1-CD2 3.89Å; P298-L420 HydrophobicContact CB-CD1 3.77Å; P298-L420 HydrophobicContact CG-CD1 3.49Å; P298-L420 VanDerWaalsContact CG-CD1 3.49Å; V407-L420 HydrophobicContact CG1-CB 3.85Å; V407-L420 WeakPolarHBondContact CG1-O 3.43Å; V407-L420 HydrophobicContact CG2-CB 4.33Å; C410-L420 HydrophobicContact CB-CD1 3.78Å; N411-L420 PolarHBondContact ND2-O 2.94Å; N411-L420 PolarHBondContact OD1-N 3.33Å; P418-L420 PolarHBondContact O-N 3.45Å
421S93.6Very high94.5Very high71 Ų7163.9 Ų63.950%0.49736%0.356SS..  trans-147.8146.6-178.4-178.70000110.8A423S421-A423 VanDerWaalsContact C-N 3.27Å; S421-A423 WeakPolarHBondContact OG-CB 3.38Å; S421-A423 PolarHBondContact OG-N 2.82Å; S421-A423 VanDerWaalsContact OG-N 3.1Å
422L93.3Very high94.5Very high24 Ų2464.8 Ų64.813%0.12636%0.364CS..SBendtrans-85.4-0.4171.9-79.673.1000112.1T403 R404 V407 T424 Y425 W427T403-L422 HydrophobicContact CG2-CD1 4.38Å; T403-L422 HydrophobicContact CG2-CD2 4.12Å; T403-L422 HydrophobicContact CG2-CG 4.28Å; R404-L422 HydrophobicContact CB-CD1 4.49Å; R404-L422 HydrophobicContact CB-CD2 3.98Å; V407-L422 HydrophobicContact CB-CD1 3.68Å; V407-L422 HydrophobicContact CG1-CD1 3.8Å; V407-L422 HydrophobicContact CG2-CD1 3.55Å; L422-T424 PolarHBondContact O-N 2.9Å; L422-T424 VanDerWaalsContact O-N 3.1Å; L422-Y425 HydrophobicContact CB-CD2 4.36Å; L422-Y425 HydrophobicContact CG-CD2 4.43Å; L422-Y425 WeakPolarHBondContact O-CB 3.27Å; L422-Y425 PolarHBondContact O-N 3.3Å; L422-W427 HydrophobicContact CD2-CZ2 4.17Å
423A90.7Very high94.5Very high91 Ų9163.1 Ų63.175%0.75236%0.355SS*.THydrogen-bonded Turntrans-60.1-24.6-175.700000113.6S421S421-A423 VanDerWaalsContact C-N 3.27Å; S421-A423 WeakPolarHBondContact OG-CB 3.38Å; S421-A423 PolarHBondContact OG-N 2.82Å; S421-A423 VanDerWaalsContact OG-N 3.1Å
424T89.1Confident94.6Very high108 Ų10863 Ų6366%0.66336%0.355SS*.THydrogen-bonded Turntrans-88.3-7.7177.954.50000113.5Y222 L422Y222-T424 PolarHBondContact OH-O 3.4Å; L422-T424 PolarHBondContact O-N 2.9Å; L422-T424 VanDerWaalsContact O-N 3.1Å
425Y94.4Very high94.7Very high20 Ų2064 Ų648%0.07836%0.358CS..  trans-75.1129-177.1-79.1-126.3000110.4D213 P215 Y222 Y225 T403 L422 W427D213-Y425 PolarHBondContact O-OH 3.41Å; P215-Y425 VanDerWaalsContact CD-CZ 3.45Å; P215-Y425 VanDerWaalsContact CD-OH 3.24Å; P215-Y425 WeakPolarHBondContact CD-OH 3.39Å; P215-Y425 HydrophobicContact CG-CE1 4.08Å; Y222-Y425 HydrophobicContact CE1-CD1 4.33Å; Y222-Y425 WeakPolarHBondContact OH-CA 3.29Å; Y225-Y425 HydrophobicContact CD2-CE1 4.4Å; Y225-Y425 HydrophobicContact CE1-CE1 4.21Å; Y225-Y425 AromaticContact CE2-CE1 3.96Å; Y225-Y425 HydrophobicContact CE2-CE1 3.96Å; Y225-Y425 AromaticContact CZ-CE1 3.85Å; T403-Y425 HydrophobicContact CG2-CE1 4.13Å; L422-Y425 HydrophobicContact CB-CD2 4.36Å; L422-Y425 HydrophobicContact CG-CD2 4.43Å; L422-Y425 WeakPolarHBondContact O-CB 3.27Å; L422-Y425 PolarHBondContact O-N 3.3Å; Y425-W427 HydrophobicContact CD1-CZ2 4.19Å
426N96.3Very high94.9Very high78 Ų7862.3 Ų62.342%0.41735%0.347SS..  trans-99.197.3172-176.4-27000109.2Y222 G428 L429 V430Y222-N426 HydrophobicContact CE2-CB 4.43Å; Y222-N426 PolarHBondContact OH-N 2.91Å; N426-G428 PolarHBondContact O-N 3.34Å; N426-G428 WeakPolarHBondContact OD1-CA 3.47Å; N426-G428 PolarHBondContact OD1-N 2.93Å; N426-L429 HydrophobicContact CB-CB 4.07Å; N426-L429 HydrophobicContact CB-CD1 4.04Å; N426-L429 HydrophobicContact CB-CG 4.18Å; N426-L429 CarbonylContact O-C 3.57Å; N426-L429 WeakPolarHBondContact O-CA 3.42Å; N426-L429 WeakPolarHBondContact O-CB 3.45Å; N426-L429 PolarHBondContact O-N 3.4Å; N426-L429 PolarHBondContact OD1-N 3.44Å; N426-V430 WeakPolarHBondContact O-CG2 3.29Å; N426-V430 PolarHBondContact O-N 3.01Å
427W95.7Very high95.3Very high62 Ų6253.6 Ų53.624%0.23531%0.306CS..Hα-helixtrans-64.3-24.6-178.7-71.991000114L396 M399 W400 L422 Y425 V430 F431L396-W427 HydrophobicContact CD2-CE3 4.38Å; M399-W427 HydrophobicContact CB-CZ3 4.37Å; M399-W427 HydrophobicContact CG-CZ3 4.37Å; M399-W427 HydrophobicContact SD-CZ3 4.16Å; W400-W427 HydrophobicContact CB-CE3 4.38Å; W400-W427 HydrophobicContact CB-CH2 3.53Å; W400-W427 HydrophobicContact CB-CZ2 3.73Å; W400-W427 HydrophobicContact CB-CZ3 3.86Å; W400-W427 AromaticContact CD1-CE2 3.47Å; W400-W427 VanDerWaalsContact CD1-CE2 3.47Å; W400-W427 AromaticContact CD1-CZ2 3.33Å; W400-W427 AromaticContact CD1-NE1 3.64Å; W400-W427 HydrophobicContact CG-CH2 4.24Å; W400-W427 AromaticContact CG-CZ2 3.93Å; W400-W427 HydrophobicContact CG-CZ2 3.93Å; L422-W427 HydrophobicContact CD2-CZ2 4.17Å; Y425-W427 HydrophobicContact CD1-CZ2 4.19Å; W427-V430 HydrophobicContact CE3-CB 4.22Å; W427-V430 HydrophobicContact CE3-CG1 4.16Å; W427-V430 HydrophobicContact CE3-CG2 4.28Å; W427-V430 HydrophobicContact CZ3-CG1 4.08Å; W427-V430 PolarHBondContact O-N 2.92Å; W427-F431 PolarHBondContact O-N 3.45Å
428G96.9Very high95.6Very high45 Ų4552.9 Ų52.946%0.46430%0.297SS..Hα-helixtrans-66.8-40.4169.800000112N426 F431 V432N426-G428 PolarHBondContact O-N 3.34Å; N426-G428 WeakPolarHBondContact OD1-CA 3.47Å; N426-G428 PolarHBondContact OD1-N 2.93Å; G428-F431 PolarHBondContact O-N 3.4Å; G428-V432 WeakPolarHBondContact O-CG2 3.26Å; G428-V432 PolarHBondContact O-N 2.89Å; G428-V432 VanDerWaalsContact O-N 3.12Å
429L96.7Very high95.9Very high54 Ų5453.8 Ų53.828%0.28329%0.293SS..Hα-helixtrans-71.9-32.1173.3-72.3178000112.8Y222 N426 V432 A433Y222-L429 HydrophobicContact CD2-CB 3.79Å; Y222-L429 HydrophobicContact CD2-CD1 4.27Å; Y222-L429 HydrophobicContact CE2-CB 3.93Å; Y222-L429 HydrophobicContact CE2-CD1 3.96Å; Y222-L429 HydrophobicContact CG-CB 4.44Å; N426-L429 HydrophobicContact CB-CB 4.07Å; N426-L429 HydrophobicContact CB-CD1 4.04Å; N426-L429 HydrophobicContact CB-CG 4.18Å; N426-L429 CarbonylContact O-C 3.57Å; N426-L429 WeakPolarHBondContact O-CA 3.42Å; N426-L429 WeakPolarHBondContact O-CB 3.45Å; N426-L429 PolarHBondContact O-N 3.4Å; N426-L429 PolarHBondContact OD1-N 3.44Å; L429-V432 PolarHBondContact O-N 3.32Å; L429-A433 WeakPolarHBondContact O-CB 3.48Å; L429-A433 PolarHBondContact O-N 3.49Å
430V97.9Very high96.1Very high0 Ų044.1 Ų44.10%026%0.258CS..Hα-helixtrans-58.3-49.8171.2174.40000109.8Y222 Y225 L396 M399 N426 W427 V432 A433 M434Y222-V430 HydrophobicContact CD1-CG2 3.52Å; Y222-V430 HydrophobicContact CE1-CG2 3.72Å; Y222-V430 HydrophobicContact CG-CG2 4.41Å; Y225-V430 HydrophobicContact CE1-CG1 4.2Å; Y225-V430 HydrophobicContact CE1-CG2 4.23Å; L396-V430 HydrophobicContact CD2-CG1 4.27Å; M399-V430 HydrophobicContact CE-CG1 4Å; M399-V430 HydrophobicContact SD-CG1 3.77Å; N426-V430 WeakPolarHBondContact O-CG2 3.29Å; N426-V430 PolarHBondContact O-N 3.01Å; W427-V430 HydrophobicContact CE3-CB 4.22Å; W427-V430 HydrophobicContact CE3-CG1 4.16Å; W427-V430 HydrophobicContact CE3-CG2 4.28Å; W427-V430 HydrophobicContact CZ3-CG1 4.08Å; W427-V430 PolarHBondContact O-N 2.92Å; V430-V432 PolarHBondContact O-N 3.39Å; V430-A433 WeakPolarHBondContact O-CB 3.47Å; V430-A433 PolarHBondContact O-N 3.38Å; V430-A433 VanDerWaalsContact O-N 3.12Å; V430-M434 HydrophobicContact CG1-SD 4.38Å; V430-M434 WeakPolarHBondContact O-CG 3.37Å; V430-M434 PolarHBondContact O-N 2.8Å
431F98Very high96.3Very high60 Ų6043.1 Ų43.126%0.26325%0.253SS..Hα-helixtrans-58.3-46.8176.7172.5-110.6000112.7Y351 T392 L396 W427 G428 A433 M434 L435Y351-F431 HydrophobicContact CD1-CE2 4.23Å; Y351-F431 AromaticContact CD1-CZ 3.98Å; Y351-F431 HydrophobicContact CD1-CZ 3.98Å; Y351-F431 AromaticContact CE1-CE2 3.58Å; Y351-F431 HydrophobicContact CE1-CE2 3.58Å; Y351-F431 AromaticContact CE1-CZ 3.76Å; Y351-F431 HydrophobicContact CE1-CZ 3.76Å; T392-F431 HydrophobicContact CG2-CD2 3.76Å; T392-F431 HydrophobicContact CG2-CE2 3.53Å; L396-F431 HydrophobicContact CD1-CB 4.25Å; L396-F431 HydrophobicContact CD1-CD2 4.31Å; W427-F431 PolarHBondContact O-N 3.45Å; G428-F431 PolarHBondContact O-N 3.4Å; F431-A433 VanDerWaalsContact C-N 3.28Å; F431-A433 PolarHBondContact O-N 3.37Å; F431-M434 WeakPolarHBondContact O-CB 3.34Å; F431-M434 PolarHBondContact O-N 3.41Å; F431-L435 HydrophobicContact CE1-CD1 3.97Å; F431-L435 HydrophobicContact CE2-CD1 4.25Å; F431-L435 HydrophobicContact CE2-CG 4.37Å; F431-L435 HydrophobicContact CZ-CD1 3.72Å; F431-L435 HydrophobicContact CZ-CG 4.33Å; F431-L435 PolarHBondContact O-N 3.28Å
432V98Very high96.5Very high63 Ų6339.8 Ų39.838%0.38223%0.229SC..Hα-helixtrans-61.6-39.9176.1174.20000111.1L219 G428 L429 V430 L435 V436L219-V432 HydrophobicContact CD1-CB 4.47Å; L219-V432 HydrophobicContact CD1-CG1 3.99Å; G428-V432 WeakPolarHBondContact O-CG2 3.26Å; G428-V432 PolarHBondContact O-N 2.89Å; G428-V432 VanDerWaalsContact O-N 3.12Å; L429-V432 PolarHBondContact O-N 3.32Å; V430-V432 PolarHBondContact O-N 3.39Å; V432-L435 PolarHBondContact O-N 3.14Å; V432-V436 HydrophobicContact CG1-CG2 4.13Å; V432-V436 WeakPolarHBondContact O-CB 3.44Å; V432-V436 VanDerWaalsContact O-CG2 3.28Å; V432-V436 WeakPolarHBondContact O-CG2 3.42Å; V432-V436 PolarHBondContact O-N 2.96Å
433A97.8Very high96.8Very high0 Ų041.9 Ų41.90%024%0.24CC..Hα-helixtrans-63.4-40.2178.500000112.4L219 L429 V430 F431 L435 V436 D437L219-A433 HydrophobicContact CD1-CB 3.95Å; L429-A433 WeakPolarHBondContact O-CB 3.48Å; L429-A433 PolarHBondContact O-N 3.49Å; V430-A433 WeakPolarHBondContact O-CB 3.47Å; V430-A433 PolarHBondContact O-N 3.38Å; V430-A433 VanDerWaalsContact O-N 3.12Å; F431-A433 VanDerWaalsContact C-N 3.28Å; F431-A433 PolarHBondContact O-N 3.37Å; A433-L435 VanDerWaalsContact C-N 3.31Å; A433-L435 PolarHBondContact O-N 2.87Å; A433-V436 PolarHBondContact O-N 2.91Å; A433-D437 WeakPolarHBondContact O-CB 3.46Å; A433-D437 PolarHBondContact O-N 2.95Å
434M97.5Very high97.1Very high0 Ų037.6 Ų37.60%020%0.204CC..Hα-helixtrans-55.9-46.3174.3-64.7162.177.400111.5E226 F347 E395 L396 V430 F431 N438E226-M434 HydrophobicContact CB-CG 4.44Å; E226-M434 HydrophobicContact CG-CB 3.93Å; E226-M434 HydrophobicContact CG-CG 3.29Å; F347-M434 HydrophobicContact CE1-CB 4.17Å; F347-M434 HydrophobicContact CZ-CB 4.37Å; F347-M434 HydrophobicContact CZ-CE 3.84Å; E395-M434 HydrophobicContact CG-CE 4.01Å; E395-M434 WeakPolarHBondContact OE1-CE 3.38Å; L396-M434 HydrophobicContact CD2-CE 4.41Å; L396-M434 HydrophobicContact CD2-SD 3.5Å; L396-M434 VanDerWaalsContact CD2-SD 3.5Å; L396-M434 HydrophobicContact CG-SD 4.44Å; V430-M434 HydrophobicContact CG1-SD 4.38Å; V430-M434 WeakPolarHBondContact O-CG 3.37Å; V430-M434 PolarHBondContact O-N 2.8Å; F431-M434 WeakPolarHBondContact O-CB 3.34Å; F431-M434 PolarHBondContact O-N 3.41Å; M434-N438 VanDerWaalsContact O-CB 3.31Å; M434-N438 WeakPolarHBondContact O-CB 3.2Å; M434-N438 PolarHBondContact O-N 3.03Å; M434-N438 PolarHBondContact O-ND2 2.78Å
435L98.2Very high97.5Very high39 Ų3932.4 Ų32.420%0.20417%0.173CC..Hα-helixtrans-68.2-43.4178.9-60-177.9000111.9F347 Y351 F431 V432 A433 F439F347-L435 HydrophobicContact CE1-CD2 3.98Å; Y351-L435 HydrophobicContact CD1-CD1 4.41Å; Y351-L435 HydrophobicContact CD1-CD2 3.96Å; Y351-L435 HydrophobicContact CD2-CD2 3.3Å; Y351-L435 HydrophobicContact CE1-CD2 4.19Å; Y351-L435 HydrophobicContact CE2-CD2 3.55Å; Y351-L435 HydrophobicContact CG-CD1 4.39Å; Y351-L435 HydrophobicContact CG-CD2 3.5Å; F431-L435 HydrophobicContact CE1-CD1 3.97Å; F431-L435 HydrophobicContact CE2-CD1 4.25Å; F431-L435 HydrophobicContact CE2-CG 4.37Å; F431-L435 HydrophobicContact CZ-CD1 3.72Å; F431-L435 HydrophobicContact CZ-CG 4.33Å; F431-L435 PolarHBondContact O-N 3.28Å; V432-L435 PolarHBondContact O-N 3.14Å; A433-L435 VanDerWaalsContact C-N 3.31Å; A433-L435 PolarHBondContact O-N 2.87Å; L435-F439 WeakPolarHBondContact O-CB 3.46Å; L435-F439 PolarHBondContact O-N 2.82Å
436V98.1Very high97.7Very high43 Ų4336 Ų3626%0.26119%0.189SC..Hα-helixtrans-67.7-47-177.5170.10000111.2V432 A433 F439 L440V432-V436 HydrophobicContact CG1-CG2 4.13Å; V432-V436 WeakPolarHBondContact O-CB 3.44Å; V432-V436 VanDerWaalsContact O-CG2 3.28Å; V432-V436 WeakPolarHBondContact O-CG2 3.42Å; V432-V436 PolarHBondContact O-N 2.96Å; A433-V436 PolarHBondContact O-N 2.91Å; V436-F439 PolarHBondContact O-N 3.46Å; V436-L440 HydrophobicContact CG1-CD1 3.73Å; V436-L440 HydrophobicContact CG1-CG 4.38Å; V436-L440 WeakPolarHBondContact O-CB 3.33Å; V436-L440 WeakPolarHBondContact O-CG 3.47Å; V436-L440 PolarHBondContact O-N 3.42Å
437D97.6Very high97.7Very high2 Ų238 Ų381%0.01119%0.191CC..Hα-helixtrans-65.7-50.1-177.9-165.275.7000111.2C223 E226 Y310 A433 F439 L440 Y441C223-D437 HydrophobicContact CB-CB 4.01Å; E226-D437 WeakPolarHBondContact OE2-CB 3.38Å; Y310-D437 VanDerWaalsContact CE2-OD1 3.31Å; Y310-D437 WeakPolarHBondContact CE2-OD1 3.48Å; Y310-D437 VanDerWaalsContact CZ-OD1 3.31Å; Y310-D437 PolarHBondContact OH-OD1 3.47Å; A433-D437 WeakPolarHBondContact O-CB 3.46Å; A433-D437 PolarHBondContact O-N 2.95Å; D437-F439 VanDerWaalsContact C-N 3.26Å; D437-F439 PolarHBondContact O-N 2.96Å; D437-L440 CarbonylContact O-C 3.59Å; D437-L440 PolarHBondContact O-N 2.7Å; D437-Y441 WeakPolarHBondContact O-CB 3.42Å; D437-Y441 PolarHBondContact O-N 3.1Å
438N98.1Very high97.8Very high19 Ų1935 Ų3510%0.10218%0.18CC..Hα-helixtrans-62.4-31.5176.1-77.4-81.7000112.7E226 S344 F347 V348 M434 P442E226-N438 PolarHBondContact OE1-ND2 3.15Å; S344-N438 WeakPolarHBondContact CA-OD1 3.32Å; S344-N438 VanDerWaalsContact CB-O 3.23Å; S344-N438 WeakPolarHBondContact CB-O 3.35Å; S344-N438 WeakPolarHBondContact CB-OD1 3.43Å; S344-N438 PolarHBondContact OG-OD1 3.14Å; S344-N438 VanDerWaalsContact OG-OD1 3.12Å; F347-N438 HydrophobicContact CD1-CB 4.04Å; V348-N438 HydrophobicContact CG2-CB 3.69Å; M434-N438 VanDerWaalsContact O-CB 3.31Å; M434-N438 WeakPolarHBondContact O-CB 3.2Å; M434-N438 PolarHBondContact O-N 3.03Å; M434-N438 PolarHBondContact O-ND2 2.78Å; N438-P442 WeakPolarHBondContact O-CD 3.49Å
439F98.2Very high97.7Very high101 Ų10136.7 Ų36.744%0.44318%0.175SC..Hα-helixtrans-68.6-42173.3-179.8-98.1000111.9W345 V348 L435 V436 D437 I443W345-F439 PolarHBondContact NE1-O 3.26Å; V348-F439 HydrophobicContact CG1-CB 4.39Å; V348-F439 HydrophobicContact CG1-CD2 4.19Å; V348-F439 HydrophobicContact CG2-CB 4.29Å; L435-F439 WeakPolarHBondContact O-CB 3.46Å; L435-F439 PolarHBondContact O-N 2.82Å; V436-F439 PolarHBondContact O-N 3.46Å; D437-F439 VanDerWaalsContact C-N 3.26Å; D437-F439 PolarHBondContact O-N 2.96Å; F439-I443 HydrophobicContact CD1-CD1 4.23Å; F439-I443 HydrophobicContact CE1-CD1 3.76Å; F439-I443 HydrophobicContact CZ-CD1 4.25Å
440L98.3Very high97.7Very high23 Ų2341.7 Ų41.712%0.1220%0.195CC..Hα-helixtrans-78.5-26.1-176.8-70.9178.3000113.5F307 Y310 W311 L314 V436 D437 I443 S444F307-L440 HydrophobicContact CE2-CD1 3.83Å; F307-L440 HydrophobicContact CZ-CD1 4.17Å; Y310-L440 HydrophobicContact CE1-CD1 3.75Å; W311-L440 HydrophobicContact CZ3-CB 4.19Å; W311-L440 HydrophobicContact CZ3-CD2 4.08Å; L314-L440 HydrophobicContact CD2-CB 3.91Å; V436-L440 HydrophobicContact CG1-CD1 3.73Å; V436-L440 HydrophobicContact CG1-CG 4.38Å; V436-L440 WeakPolarHBondContact O-CB 3.33Å; V436-L440 WeakPolarHBondContact O-CG 3.47Å; V436-L440 PolarHBondContact O-N 3.42Å; D437-L440 CarbonylContact O-C 3.59Å; D437-L440 PolarHBondContact O-N 2.7Å; L440-I443 HydrophobicContact CD2-CD1 4.37Å; L440-I443 WeakPolarHBondContact O-CB 3.32Å; L440-I443 PolarHBondContact O-N 3.38Å; L440-S444 PolarHBondContact O-N 2.89Å
441Y98.2Very high97.6Very high2 Ų243 Ų431%0.00820%0.203CC..Hα-helixtrans-54.5-53-176.7176.1-82.3000112.2Y227 L314 T318 L321 H340 D437 I443 S444 A445Y227-Y441 HydrophobicContact CE2-CD2 4.03Å; Y227-Y441 HydrophobicContact CE2-CE2 4.01Å; L314-Y441 HydrophobicContact CD1-CD2 4.05Å; T318-Y441 HydrophobicContact CG2-CD2 3.89Å; T318-Y441 HydrophobicContact CG2-CE2 3.54Å; L321-Y441 WeakPolarHBondContact CD1-OH 3.32Å; H340-Y441 HydrophobicContact CB-CE1 3.59Å; H340-Y441 AromaticContact CD2-CD1 3.9Å; H340-Y441 AromaticContact CD2-CE1 3.72Å; H340-Y441 AromaticContact CD2-CZ 3.89Å; H340-Y441 AromaticContact CE1-CD2 3.84Å; H340-Y441 AromaticContact CE1-CE2 3.4Å; H340-Y441 WeakPolarHBondContact CE1-CE2 3.33Å; H340-Y441 AromaticContact CE1-CZ 3.61Å; H340-Y441 AromaticContact CG-CE1 3.37Å; H340-Y441 AromaticContact CG-CE2 3.92Å; H340-Y441 AromaticContact CG-CZ 3.3Å; H340-Y441 AromaticContact ND1-CE1 3.73Å; H340-Y441 AromaticContact ND1-CE2 3.4Å; H340-Y441 WeakPolarHBondContact ND1-CE2 3.48Å; H340-Y441 AromaticContact ND1-CZ 3.11Å; H340-Y441 PolarHBondContact ND1-OH 2.97Å; H340-Y441 VanDerWaalsContact ND1-OH 3.07Å; H340-Y441 AromaticContact NE2-CD2 3.98Å; H340-Y441 AromaticContact NE2-CE2 3.93Å; D437-Y441 WeakPolarHBondContact O-CB 3.42Å; D437-Y441 PolarHBondContact O-N 3.1Å; Y441-I443 VanDerWaalsContact C-N 3.31Å; Y441-I443 PolarHBondContact O-N 3.46Å; Y441-S444 WeakPolarHBondContact O-CB 3.42Å; Y441-S444 PolarHBondContact O-N 3.41Å; Y441-S444 VanDerWaalsContact O-N 3.14Å; Y441-A445 HydrophobicContact CE1-CB 4.28Å; Y441-A445 WeakPolarHBondContact O-CB 3.41Å; Y441-A445 PolarHBondContact O-N 2.9Å
442P98.2Very high97.4Very high1 Ų142.9 Ų42.91%0.00620%0.204CC..Hα-helixtrans-63.9-36.5179.9-2740.4000112.7C341 W345 N438 S444 A445 F446C341-P442 HydrophobicContact CB-CB 4.22Å; C341-P442 HydrophobicContact CB-CG 4.22Å; W345-P442 VanDerWaalsContact CD1-CG 3.46Å; W345-P442 HydrophobicContact CD2-CB 4.29Å; W345-P442 HydrophobicContact CD2-CG 4.2Å; W345-P442 HydrophobicContact CG-CG 3.94Å; W345-P442 HydrophobicContact CZ2-CB 4.08Å; N438-P442 WeakPolarHBondContact O-CD 3.49Å; P442-S444 VanDerWaalsContact C-N 3.34Å; P442-S444 PolarHBondContact O-N 3.22Å; P442-A445 PolarHBondContact O-N 3.47Å; P442-F446 WeakPolarHBondContact O-CD2 3.44Å; P442-F446 PolarHBondContact O-N 3.16Å
443I98.3Very high97.4Very high69 Ų6941.4 Ų41.435%0.35420%0.197SC..Hα-helixtrans-61.6-45.7176.1-55.5177.7000109.9W311 W345 F439 L440 Y441 R447W311-I443 HydrophobicContact CH2-CB 4.3Å; W311-I443 HydrophobicContact CH2-CG2 3.91Å; W345-I443 HydrophobicContact CZ2-CG1 4.47Å; F439-I443 HydrophobicContact CD1-CD1 4.23Å; F439-I443 HydrophobicContact CE1-CD1 3.76Å; F439-I443 HydrophobicContact CZ-CD1 4.25Å; L440-I443 HydrophobicContact CD2-CD1 4.37Å; L440-I443 WeakPolarHBondContact O-CB 3.32Å; L440-I443 PolarHBondContact O-N 3.38Å; Y441-I443 VanDerWaalsContact C-N 3.31Å; Y441-I443 PolarHBondContact O-N 3.46Å; I443-R447 VanDerWaalsContact O-CB 3.25Å; I443-R447 WeakPolarHBondContact O-CB 3.48Å; I443-R447 PolarHBondContact O-N 2.94Å
444S98Very high97.2Very high0 Ų041.8 Ų41.80%020%0.198CC..Hα-helixtrans-63.3-41.9175.8-178.30000111.7L314 R315 T318 L440 Y441 P442 R447 S448L314-S444 PolarHBondContact O-OG 2.75Å; R315-S444 WeakPolarHBondContact CA-OG 3.49Å; R315-S444 PolarHBondContact N-OG 2.81Å; R315-S444 PolarHBondContact NH1-O 3.25Å; T318-S444 PolarHBondContact OG1-OG 2.98Å; L440-S444 PolarHBondContact O-N 2.89Å; Y441-S444 WeakPolarHBondContact O-CB 3.42Å; Y441-S444 PolarHBondContact O-N 3.41Å; Y441-S444 VanDerWaalsContact O-N 3.14Å; P442-S444 VanDerWaalsContact C-N 3.34Å; P442-S444 PolarHBondContact O-N 3.22Å; S444-R447 CarbonylContact O-C 3.58Å; S444-R447 WeakPolarHBondContact O-CB 3.33Å; S444-R447 PolarHBondContact O-N 3.24Å; S444-S448 PolarHBondContact O-N 2.9Å; S444-S448 PolarHBondContact O-OG 2.99Å
445A97.8Very high97Very high0 Ų043.4 Ų43.40%021%0.207CC..Hα-helixtrans-62.9-50.7-18000000111.7T318 F337 Y441 P442 R447 S448 H449T318-A445 HydrophobicContact CG2-CB 3.97Å; F337-A445 HydrophobicContact CD2-CB 3.99Å; F337-A445 VanDerWaalsContact CE2-C 3.5Å; F337-A445 HydrophobicContact CE2-CB 3.41Å; F337-A445 VanDerWaalsContact CE2-CB 3.41Å; F337-A445 WeakPolarHBondContact CE2-O 3.31Å; F337-A445 HydrophobicContact CZ-CB 3.86Å; Y441-A445 HydrophobicContact CE1-CB 4.28Å; Y441-A445 WeakPolarHBondContact O-CB 3.41Å; Y441-A445 PolarHBondContact O-N 2.9Å; P442-A445 PolarHBondContact O-N 3.47Å; A445-R447 VanDerWaalsContact C-N 3.31Å; A445-R447 PolarHBondContact O-N 3.21Å; A445-S448 WeakPolarHBondContact O-CA 3.44Å; A445-S448 WeakPolarHBondContact O-CB 3.48Å; A445-S448 PolarHBondContact O-N 2.97Å; A445-H449 PolarHBondContact O-N 3.24Å
446F97.9Very high96.7Very high95 Ų9544.3 Ų44.342%0.41721%0.208SC..Hα-helixtrans-61.3-40.2174.1-80.7-72000112F337 P442 S448 H449 F450F337-F446 HydrophobicContact CE1-CE1 4.47Å; F337-F446 HydrophobicContact CE1-CZ 4.42Å; F337-F446 HydrophobicContact CZ-CD1 4.32Å; F337-F446 HydrophobicContact CZ-CE1 4.39Å; F337-F446 HydrophobicContact CZ-CG 4.45Å; P442-F446 WeakPolarHBondContact O-CD2 3.44Å; P442-F446 PolarHBondContact O-N 3.16Å; F446-S448 PolarHBondContact O-N 3.4Å; F446-H449 PolarHBondContact O-N 3.23Å; F446-F450 HydrophobicContact CB-CD2 4.46Å; F446-F450 HydrophobicContact CB-CE2 4.3Å; F446-F450 HydrophobicContact CD1-CE2 4.01Å; F446-F450 WeakPolarHBondContact O-CD2 3.36Å; F446-F450 PolarHBondContact O-N 3.47Å
447R97.4Very high96.2Very high120 Ų12043.4 Ų43.445%0.45320%0.203SC..Hα-helixtrans-60.3-27.1173.3-177.653.4-179.274.2-12.3111.6R315 I443 S444 A445 S451R315-R447 VanDerWaalsContact NH1-CB 3.32Å; R315-R447 VanDerWaalsContact NH1-CG 3.31Å; R315-R447 PolarHBondContact NH1-O 2.79Å; R315-R447 VanDerWaalsContact NH1-O 3.11Å; R315-R447 PolarHBondContact NH2-O 3.01Å; I443-R447 VanDerWaalsContact O-CB 3.25Å; I443-R447 WeakPolarHBondContact O-CB 3.48Å; I443-R447 PolarHBondContact O-N 2.94Å; S444-R447 CarbonylContact O-C 3.58Å; S444-R447 WeakPolarHBondContact O-CB 3.33Å; S444-R447 PolarHBondContact O-N 3.24Å; A445-R447 VanDerWaalsContact C-N 3.31Å; A445-R447 PolarHBondContact O-N 3.21Å; R447-S451 PolarHBondContact NH1-OG 3.48Å; R447-S451 WeakPolarHBondContact O-CB 3.17Å; R447-S451 PolarHBondContact O-N 3.37Å; R447-S451 VanDerWaalsContact O-N 3.16Å
448S96.7Very high95.8Very high0 Ų044 Ų440%021%0.21CC..Hα-helixtrans-80.3-43.3-178.7-74.60000109.1R315 T318 F319 S444 A445 F446 F450 S451 Q452R315-S448 VanDerWaalsContact CZ-OG 3.27Å; R315-S448 PolarHBondContact NH1-OG 3.2Å; T318-S448 PolarHBondContact OG1-OG 3.47Å; F319-S448 PolarHBondContact N-OG 2.89Å; S444-S448 PolarHBondContact O-N 2.9Å; S444-S448 PolarHBondContact O-OG 2.99Å; A445-S448 WeakPolarHBondContact O-CA 3.44Å; A445-S448 WeakPolarHBondContact O-CB 3.48Å; A445-S448 PolarHBondContact O-N 2.97Å; F446-S448 PolarHBondContact O-N 3.4Å; S448-F450 PolarHBondContact O-N 3.03Å; S448-S451 CarbonylContact O-C 3.28Å; S448-S451 VanDerWaalsContact O-C 3.28Å; S448-S451 PolarHBondContact O-N 3.07Å; S448-S451 VanDerWaalsContact O-O 3.06Å; S448-Q452 PolarHBondContact O-NE2 3.29Å
449H96Very high95.5Very high79 Ų7943.3 Ų43.337%0.36621%0.206SC..Hα-helixtrans-57.5-46.9174.5-171.250.5000112.9E322 K334 F337 A445 F446 Q452E322-H449 IonicContact OE1-ND1 3.73Å; E322-H449 IonicContact OE2-ND1 2.78Å; E322-H449 PolarHBondContact OE2-ND1 3.19Å; E322-H449 VanDerWaalsContact OE2-ND1 3.09Å; K334-H449 PolarHBondContact NZ-ND1 3.35Å; K334-H449 VanDerWaalsContact NZ-ND1 3.17Å; F337-H449 HydrophobicContact CE2-CB 4.43Å; A445-H449 PolarHBondContact O-N 3.24Å; F446-H449 PolarHBondContact O-N 3.23Å; H449-Q452 PolarHBondContact O-NE2 2.98Å
450F96.2Very high95.4Very high160 Ų16042.4 Ų42.470%0.70220%0.2SC*.Hα-helixtrans-80.7-19.8-179.3-65.7-59.9000114.4F446 S448F446-F450 HydrophobicContact CB-CD2 4.46Å; F446-F450 HydrophobicContact CB-CE2 4.3Å; F446-F450 HydrophobicContact CD1-CE2 4.01Å; F446-F450 WeakPolarHBondContact O-CD2 3.36Å; F446-F450 PolarHBondContact O-N 3.47Å; S448-F450 PolarHBondContact O-N 3.03Å
451S94.4Very high95.3Very high26 Ų2641.4 Ų41.418%0.18220%0.195CC..  trans-12493.7179.7-178.20000109.5R447 S448 S453R447-S451 PolarHBondContact NH1-OG 3.48Å; R447-S451 WeakPolarHBondContact O-CB 3.17Å; R447-S451 PolarHBondContact O-N 3.37Å; R447-S451 VanDerWaalsContact O-N 3.16Å; S448-S451 CarbonylContact O-C 3.28Å; S448-S451 VanDerWaalsContact O-C 3.28Å; S448-S451 PolarHBondContact O-N 3.07Å; S448-S451 VanDerWaalsContact O-O 3.06Å; S451-S453 PolarHBondContact O-N 2.9Å
452Q95.3Very high95.3Very high58 Ų5842.9 Ų42.927%0.27120%0.202SC..  trans-74.438.4179-62.4-66.6-37.900112.4E322 S448 H449 H462 L463E322-Q452 PolarHBondContact OE2-NE2 3.06Å; S448-Q452 PolarHBondContact O-NE2 3.29Å; H449-Q452 PolarHBondContact O-NE2 2.98Å; Q452-H462 CarbonylContact O-C 3.59Å; Q452-H462 VanDerWaalsContact O-CA 3.32Å; Q452-H462 WeakPolarHBondContact O-CA 3.27Å; Q452-L463 HydrophobicContact CB-CB 4.34Å; Q452-L463 WeakPolarHBondContact CB-O 3.5Å; Q452-L463 PolarHBondContact O-N 2.98Å
453S96.5Very high95.3Very high33 Ų3343.1 Ų43.123%0.23120%0.203CC..EExtended strand (participates in β ladder)trans-142.8148.4170.763.70000112.6S451 Y461 H462S451-S453 PolarHBondContact O-N 2.9Å; S453-Y461 WeakPolarHBondContact CA-O 3.15Å; S453-Y461 WeakPolarHBondContact CB-O 3.25Å; S453-H462 WeakPolarHBondContact CB-ND1 3.32Å
454I95.4Very high95.2Very high7 Ų746 Ų464%0.03621%0.213CC..EExtended strand (participates in β ladder)trans-144.3144.2179.8-16759.2000110.2Y272 R315 K316 F319 R460 Y461Y272-I454 HydrophobicContact CE2-CG2 3.82Å; R315-I454 HydrophobicContact CB-CD1 3.74Å; K316-I454 HydrophobicContact CG-CD1 4.29Å; K316-I454 HydrophobicContact CG-CG1 3.85Å; F319-I454 HydrophobicContact CD1-CB 3.84Å; F319-I454 HydrophobicContact CD1-CG2 3.42Å; F319-I454 VanDerWaalsContact CD1-CG2 3.42Å; F319-I454 HydrophobicContact CD2-CB 4.14Å; F319-I454 HydrophobicContact CE1-CB 3.92Å; F319-I454 HydrophobicContact CE1-CG2 3.31Å; F319-I454 HydrophobicContact CE2-CB 4.22Å; F319-I454 HydrophobicContact CE2-CG2 4.48Å; F319-I454 HydrophobicContact CG-CB 3.93Å; F319-I454 HydrophobicContact CG-CG1 4.44Å; F319-I454 HydrophobicContact CG-CG2 4.05Å; F319-I454 HydrophobicContact CZ-CB 4.09Å; F319-I454 HydrophobicContact CZ-CG2 3.88Å; I454-R460 CarbonylContact O-C 3.53Å; I454-R460 VanDerWaalsContact O-CA 3.29Å; I454-R460 WeakPolarHBondContact O-CA 3.38Å; I454-Y461 HydrophobicContact CG2-CD2 4.45Å; I454-Y461 PolarHBondContact N-O 3.42Å; I454-Y461 PolarHBondContact O-N 3.17Å
455N92.9Very high95.1Very high35 Ų3551.5 Ų51.519%0.18724%0.242CC..EExtended strand (participates in β ladder)trans-98.4121.5169.4-175.6-12000108.7N312 G458 I459 M477N312-N455 PolarHBondContact ND2-O 3.41Å; N312-N455 PolarHBondContact OD1-O 3.31Å; N455-G458 WeakPolarHBondContact OD1-CA 3.42Å; N455-G458 PolarHBondContact OD1-N 3.26Å; N455-G458 VanDerWaalsContact OD1-N 3.07Å; N455-I459 WeakPolarHBondContact CA-O 3.38Å; N455-M477 PolarHBondContact ND2-O 3.01Å
456W91.8Very high95Very high58 Ų5851.8 Ų51.822%0.2225%0.245CC..EExtended strand (participates in β ladder)trans-125.8113.4174.3178.820.6000108.9K159 Y272 K316 G458 I459 Y461K159-W456 HydrophobicContact CB-CH2 3.53Å; K159-W456 HydrophobicContact CB-CZ2 4.28Å; K159-W456 HydrophobicContact CB-CZ3 4.13Å; K159-W456 HydrophobicContact CD-CH2 3.66Å; K159-W456 HydrophobicContact CD-CZ2 4.12Å; K159-W456 HydrophobicContact CG-CH2 4.17Å; Y272-W456 HydrophobicContact CE2-CE3 4.08Å; Y272-W456 HydrophobicContact CE2-CZ3 4.48Å; K316-W456 HydrophobicContact CD-CB 4.06Å; K316-W456 HydrophobicContact CD-CG 3.86Å; W456-G458 PolarHBondContact O-N 3.28Å; W456-I459 PolarHBondContact N-O 2.85Å; W456-I459 PolarHBondContact O-N 3.31Å; W456-Y461 HydrophobicContact CB-CD2 4.34Å; W456-Y461 HydrophobicContact CB-CE2 4.07Å; W456-Y461 HydrophobicContact CD2-CE2 4.49Å; W456-Y461 HydrophobicContact CE3-CD2 4.43Å; W456-Y461 AromaticContact CE3-CE2 3.79Å; W456-Y461 HydrophobicContact CE3-CE2 3.79Å
457S86.8Confident95Very high23 Ų2350 Ų5016%0.16124%0.237CC..THydrogen-bonded Turntrans52.339.3177.6-590000114.2
458G88.4Confident95Very high15 Ų1544.8 Ų44.816%0.15522%0.218CC..THydrogen-bonded Turntrans870.717800000114.8N455 W456N455-G458 WeakPolarHBondContact OD1-CA 3.42Å; N455-G458 PolarHBondContact OD1-N 3.26Å; N455-G458 VanDerWaalsContact OD1-N 3.07Å; W456-G458 PolarHBondContact O-N 3.28Å
459I92.9Very high95Very high5 Ų550.8 Ų50.83%0.02624%0.244CC..EExtended strand (participates in β ladder)trans-108.3124.8175.9-50.9174.6000108.2K93 Q158 N455 W456 Y461 I471 R473K93-I459 HydrophobicContact CD-CD1 4.42Å; Q158-I459 HydrophobicContact CB-CD1 3.59Å; Q158-I459 HydrophobicContact CG-CD1 3.93Å; N455-I459 WeakPolarHBondContact CA-O 3.38Å; W456-I459 PolarHBondContact N-O 2.85Å; W456-I459 PolarHBondContact O-N 3.31Å; I459-Y461 HydrophobicContact CB-CE2 4.01Å; I459-Y461 HydrophobicContact CG2-CD1 4.31Å; I459-Y461 HydrophobicContact CG2-CE1 3.64Å; I459-Y461 HydrophobicContact CG2-CE2 3.93Å; I459-Y461 VanDerWaalsContact CG2-CZ 3.42Å; I459-Y461 WeakPolarHBondContact CG2-OH 3.34Å; I459-I471 HydrophobicContact CG2-CG2 3.48Å; I459-I471 VanDerWaalsContact CG2-CG2 3.48Å; I459-R473 HydrophobicContact CG2-CG 4.21Å
460R95.4Very high95.1Very high82 Ų8251.6 Ų51.631%0.30925%0.247SC..EExtended strand (participates in β ladder)trans-96.6117.9175.5-176.6175.4-66.8166.30.9110.3I454 E472 M477I454-R460 CarbonylContact O-C 3.53Å; I454-R460 VanDerWaalsContact O-CA 3.29Å; I454-R460 WeakPolarHBondContact O-CA 3.38Å; R460-E472 HydrophobicContact CB-CB 4.24Å; R460-E472 PolarHBondContact N-O 3.31Å; R460-E472 PolarHBondContact O-N 3.29Å; R460-M477 HydrophobicContact CB-CE 3.74Å; R460-M477 HydrophobicContact CB-SD 3.96Å
461Y97.3Very high95.1Very high2 Ų245.4 Ų45.41%0.00822%0.221CC..EExtended strand (participates in β ladder)trans-96.6139.3174.8-59.5-70.8000109.6Q158 Y272 S453 I454 W456 I459 I468 I471Q158-Y461 VanDerWaalsContact CB-OH 3.28Å; Q158-Y461 WeakPolarHBondContact CB-OH 3.34Å; Q158-Y461 PolarHBondContact N-OH 3.49Å; Y272-Y461 HydrophobicContact CD2-CD2 4.33Å; Y272-Y461 HydrophobicContact CD2-CG 4.41Å; Y272-Y461 AromaticContact CE2-CD2 4Å; Y272-Y461 HydrophobicContact CE2-CD2 4Å; Y272-Y461 HydrophobicContact CE2-CG 4.46Å; S453-Y461 WeakPolarHBondContact CA-O 3.15Å; S453-Y461 WeakPolarHBondContact CB-O 3.25Å; I454-Y461 HydrophobicContact CG2-CD2 4.45Å; I454-Y461 PolarHBondContact N-O 3.42Å; I454-Y461 PolarHBondContact O-N 3.17Å; W456-Y461 HydrophobicContact CB-CD2 4.34Å; W456-Y461 HydrophobicContact CB-CE2 4.07Å; W456-Y461 HydrophobicContact CD2-CE2 4.49Å; W456-Y461 HydrophobicContact CE3-CD2 4.43Å; W456-Y461 AromaticContact CE3-CE2 3.79Å; W456-Y461 HydrophobicContact CE3-CE2 3.79Å; I459-Y461 HydrophobicContact CB-CE2 4.01Å; I459-Y461 HydrophobicContact CG2-CD1 4.31Å; I459-Y461 HydrophobicContact CG2-CE1 3.64Å; I459-Y461 HydrophobicContact CG2-CE2 3.93Å; I459-Y461 VanDerWaalsContact CG2-CZ 3.42Å; I459-Y461 WeakPolarHBondContact CG2-OH 3.34Å; Y461-I468 HydrophobicContact CD1-CD1 3.7Å; Y461-I468 HydrophobicContact CD1-CG1 4.43Å; Y461-I468 HydrophobicContact CD1-CG2 4.29Å; Y461-I468 HydrophobicContact CE1-CD1 4.28Å; Y461-I468 HydrophobicContact CG-CD1 4.19Å; Y461-I471 HydrophobicContact CD1-CD1 4.49Å; Y461-I471 HydrophobicContact CD1-CG1 4.08Å; Y461-I471 HydrophobicContact CD1-CG2 4.18Å; Y461-I471 HydrophobicContact CE1-CD1 4.27Å; Y461-I471 HydrophobicContact CE1-CG1 4.26Å; Y461-I471 HydrophobicContact CE1-CG2 3.92Å
462H97.6Very high95.1Very high33 Ų3345.5 Ų45.515%0.15322%0.218CC..EExtended strand (participates in β ladder)trans-120.3129172-56.9-104.1000109.2Q452 S453 I468 F469 K470 E472Q452-H462 CarbonylContact O-C 3.59Å; Q452-H462 VanDerWaalsContact O-CA 3.32Å; Q452-H462 WeakPolarHBondContact O-CA 3.27Å; S453-H462 WeakPolarHBondContact CB-ND1 3.32Å; H462-I468 WeakPolarHBondContact O-CA 3.47Å; H462-F469 HydrophobicContact CB-CD1 4.12Å; H462-F469 HydrophobicContact CB-CE1 3.48Å; H462-F469 VanDerWaalsContact CB-CE1 3.48Å; H462-F469 HydrophobicContact CB-CZ 4Å; H462-F469 WeakPolarHBondContact O-CD1 3.48Å; H462-F469 PolarHBondContact O-N 3.28Å; H462-F469 VanDerWaalsContact O-N 3.09Å; H462-K470 HydrophobicContact CB-CB 4.09Å; H462-K470 PolarHBondContact N-O 2.86Å; H462-E472 IonicContact CE1-OE2 3.68Å; H462-E472 IonicContact NE2-OE1 2.71Å; H462-E472 IonicContact NE2-OE2 3.09Å; H462-E472 PolarHBondContact NE2-OE2 2.84Å
463L97.7Very high94.9Very high6 Ų646.6 Ų46.63%0.03122%0.22CC..EExtended strand (participates in β ladder)trans-95.9142.5177.6-63.6-179.3000110.8F319 E322 Q452 K467 I468 F469F319-L463 HydrophobicContact CD1-CD1 4.14Å; F319-L463 HydrophobicContact CE1-CD1 3.42Å; F319-L463 VanDerWaalsContact CE1-CD1 3.42Å; F319-L463 HydrophobicContact CE1-CD2 4.45Å; F319-L463 HydrophobicContact CE1-CG 3.67Å; F319-L463 HydrophobicContact CE2-CD1 4.19Å; F319-L463 HydrophobicContact CZ-CB 4.34Å; F319-L463 HydrophobicContact CZ-CD1 3.47Å; F319-L463 VanDerWaalsContact CZ-CD1 3.47Å; F319-L463 HydrophobicContact CZ-CG 3.55Å; E322-L463 HydrophobicContact CB-CD1 4.03Å; Q452-L463 HydrophobicContact CB-CB 4.34Å; Q452-L463 WeakPolarHBondContact CB-O 3.5Å; Q452-L463 PolarHBondContact O-N 2.98Å; L463-K467 CarbonylContact C-O 3.31Å; L463-K467 VanDerWaalsContact CA-O 3.26Å; L463-K467 WeakPolarHBondContact CA-O 3.36Å; L463-K467 VanDerWaalsContact CD2-C 3.48Å; L463-I468 HydrophobicContact CD2-CB 4.49Å; L463-I468 HydrophobicContact CD2-CG1 3.71Å; L463-F469 WeakPolarHBondContact O-CE1 3.38Å
464K96.6Very high93.9Very high130 Ų13051.5 Ų51.557%0.56523%0.233SC*.EExtended strand (participates in β ladder)trans-139.1128.9165.7-179.4178.7178.5-175.90106.7G466 K467 F469K464-G466 PolarHBondContact O-N 3.47Å; K464-K467 PolarHBondContact N-O 2.99Å; K464-K467 PolarHBondContact O-N 3.18Å; K464-K467 VanDerWaalsContact O-O 3.12Å; K464-F469 HydrophobicContact CB-CB 4.06Å; K464-F469 HydrophobicContact CB-CD1 3.32Å; K464-F469 HydrophobicContact CB-CE1 3.83Å; K464-F469 HydrophobicContact CB-CG 3.73Å
465D95.3Very high92.6Very high115 Ų11561.7 Ų61.762%0.61528%0.277SS*.THydrogen-bonded Turntrans50.941.4-177.2-53.9-47000112.7Y324 K467Y324-D465 WeakPolarHBondContact CE2-O 3.49Å; Y324-D465 WeakPolarHBondContact OH-CA 3.46Å; Y324-D465 PolarHBondContact OH-O 2.89Å; D465-K467 PolarHBondContact O-N 3.48Å
466G96.1Very high91.1Very high5 Ų565.8 Ų65.85%0.05230%0.299CS..THydrogen-bonded Turntrans77.7-0.5178.900000115.8E322 S323 Y324 K464E322-G466 WeakPolarHBondContact O-CA 3.45Å; S323-G466 VanDerWaalsContact CA-O 3.23Å; S323-G466 WeakPolarHBondContact CA-O 3.48Å; Y324-G466 PolarHBondContact N-O 3.27Å; Y324-G466 VanDerWaalsContact N-O 3.12Å; K464-G466 PolarHBondContact O-N 3.47Å
467K97.9Very high89.5Confident58 Ų5863.8 Ų63.825%0.25229%0.293SS..EExtended strand (participates in β ladder)trans-119.5144.9-173.2-71.9-176.1179.7-177.90111.9D269 L463 K464 D465 F469D269-K467 VanDerWaalsContact CG-NZ 3.26Å; D269-K467 IonicContact OD1-NZ 2.66Å; D269-K467 PolarHBondContact OD1-NZ 2.95Å; D269-K467 IonicContact OD2-NZ 3.66Å; D269-K467 PolarHBondContact OD2-NZ 3Å; L463-K467 CarbonylContact C-O 3.31Å; L463-K467 VanDerWaalsContact CA-O 3.26Å; L463-K467 WeakPolarHBondContact CA-O 3.36Å; L463-K467 VanDerWaalsContact CD2-C 3.48Å; K464-K467 PolarHBondContact N-O 2.99Å; K464-K467 PolarHBondContact O-N 3.18Å; K464-K467 VanDerWaalsContact O-O 3.12Å; D465-K467 PolarHBondContact O-N 3.48Å; K467-F469 PolarHBondContact O-N 2.87Å; K467-F469 VanDerWaalsContact O-N 3.13Å
468I97.9Very high87.9Confident11 Ų1164.5 Ų64.56%0.05630%0.304CS..EExtended strand (participates in β ladder)trans-63.9115.3170.8-65174.5000108.4S157 G270 G271 Y272 Y461 H462 L463 I471S157-I468 VanDerWaalsContact N-CD1 3.33Å; G270-I468 PolarHBondContact O-N 3.3Å; G271-I468 WeakPolarHBondContact O-CD1 3.42Å; Y272-I468 HydrophobicContact CD2-CD1 4.14Å; Y461-I468 HydrophobicContact CD1-CD1 3.7Å; Y461-I468 HydrophobicContact CD1-CG1 4.43Å; Y461-I468 HydrophobicContact CD1-CG2 4.29Å; Y461-I468 HydrophobicContact CE1-CD1 4.28Å; Y461-I468 HydrophobicContact CG-CD1 4.19Å; H462-I468 WeakPolarHBondContact O-CA 3.47Å; L463-I468 HydrophobicContact CD2-CB 4.49Å; L463-I468 HydrophobicContact CD2-CG1 3.71Å; I468-I471 HydrophobicContact CG2-CD1 3.99Å; I468-I471 HydrophobicContact CG2-CG1 3.56Å
469F96.8Very high86.1Confident125 Ų12567.8 Ų67.855%0.54832%0.322SS..EExtended strand (participates in β ladder)trans-109.9-18.2175.382.6-80.3000112.6H462 L463 K464 K467H462-F469 HydrophobicContact CB-CD1 4.12Å; H462-F469 HydrophobicContact CB-CE1 3.48Å; H462-F469 VanDerWaalsContact CB-CE1 3.48Å; H462-F469 HydrophobicContact CB-CZ 4Å; H462-F469 WeakPolarHBondContact O-CD1 3.48Å; H462-F469 PolarHBondContact O-N 3.28Å; H462-F469 VanDerWaalsContact O-N 3.09Å; L463-F469 WeakPolarHBondContact O-CE1 3.38Å; K464-F469 HydrophobicContact CB-CB 4.06Å; K464-F469 HydrophobicContact CB-CD1 3.32Å; K464-F469 HydrophobicContact CB-CE1 3.83Å; K464-F469 HydrophobicContact CB-CG 3.73Å; K467-F469 PolarHBondContact O-N 2.87Å; K467-F469 VanDerWaalsContact O-N 3.13Å
470K97Very high84Confident96 Ų9673.1 Ų73.142%0.41736%0.355SS..EExtended strand (participates in β ladder)trans-145.3136.4179.6-172.7-171.1-169.6-169.40110.7H462 E472H462-K470 HydrophobicContact CB-CB 4.09Å; H462-K470 PolarHBondContact N-O 2.86Å; K470-E472 HydrophobicContact CD-CG 4.23Å; K470-E472 WeakPolarHBondContact CE-OE1 3.36Å; K470-E472 HydrophobicContact CG-CG 4.35Å; K470-E472 IonicContact NZ-OE1 3.58Å; K470-E472 PolarHBondContact NZ-OE1 2.73Å
471I97.1Very high82.1Confident31 Ų3172.7 Ų72.716%0.15936%0.356CS..EExtended strand (participates in β ladder)trans-123.8120.6176.9-51.9178.2000107.8S153 C156 I459 Y461 I468S153-I471 WeakPolarHBondContact OG-CD1 3.4Å; C156-I471 VanDerWaalsContact O-CD1 3.29Å; C156-I471 WeakPolarHBondContact O-CD1 3.49Å; I459-I471 HydrophobicContact CG2-CG2 3.48Å; I459-I471 VanDerWaalsContact CG2-CG2 3.48Å; Y461-I471 HydrophobicContact CD1-CD1 4.49Å; Y461-I471 HydrophobicContact CD1-CG1 4.08Å; Y461-I471 HydrophobicContact CD1-CG2 4.18Å; Y461-I471 HydrophobicContact CE1-CD1 4.27Å; Y461-I471 HydrophobicContact CE1-CG1 4.26Å; Y461-I471 HydrophobicContact CE1-CG2 3.92Å; I468-I471 HydrophobicContact CG2-CD1 3.99Å; I468-I471 HydrophobicContact CG2-CG1 3.56Å
472E94.9Very high80.3Confident28 Ų2873.6 Ų73.613%0.13136%0.361CS..EExtended strand (participates in β ladder)trans-110127.6176.8-63.5179153.900109.9R460 H462 K470 M477R460-E472 HydrophobicContact CB-CB 4.24Å; R460-E472 PolarHBondContact N-O 3.31Å; R460-E472 PolarHBondContact O-N 3.29Å; H462-E472 IonicContact CE1-OE2 3.68Å; H462-E472 IonicContact NE2-OE1 2.71Å; H462-E472 IonicContact NE2-OE2 3.09Å; H462-E472 PolarHBondContact NE2-OE2 2.84Å; K470-E472 HydrophobicContact CD-CG 4.23Å; K470-E472 WeakPolarHBondContact CE-OE1 3.36Å; K470-E472 HydrophobicContact CG-CG 4.35Å; K470-E472 IonicContact NZ-OE1 3.58Å; K470-E472 PolarHBondContact NZ-OE1 2.73Å; E472-M477 HydrophobicContact CB-CE 3.73Å; E472-M477 WeakPolarHBondContact O-CE 3.48Å
473R90.2Very high78.4Confident81 Ų8172.8 Ų72.831%0.30636%0.358SS..EExtended strand (participates in β ladder)trans-121107.6173.4-62.5176.7-179.287-1.9106.9S153 I459S153-R473 VanDerWaalsContact N-NH2 3.11Å; S153-R473 PolarHBondContact O-NH1 3.35Å; S153-R473 VanDerWaalsContact O-NH1 3.11Å; S153-R473 PolarHBondContact O-NH2 3.3Å; S153-R473 PolarHBondContact OG-NH2 2.7Å; S153-R473 VanDerWaalsContact OG-NH2 3.08Å; I459-R473 HydrophobicContact CG2-CG 4.21Å
474R76.9Confident76.7Confident136 Ų13673.6 Ų73.651%0.51336%0.362SS..  trans-123.2142.9176.9-54.3177.1179.9-165.3-1.5109.1D476 M477R474-D476 WeakPolarHBondContact CB-OD1 3.24Å; R474-D476 PolarHBondContact O-N 3.34Å; R474-M477 HydrophobicContact CB-CB 4.27Å; R474-M477 HydrophobicContact CB-CE 3.88Å; R474-M477 HydrophobicContact CB-CG 3.9Å; R474-M477 HydrophobicContact CB-SD 4.38Å; R474-M477 HydrophobicContact CG-CE 3.7Å; R474-M477 HydrophobicContact CG-CG 4.29Å; R474-M477 HydrophobicContact CG-SD 4.17Å; R474-M477 PolarHBondContact O-N 3.37Å
475K66.2Low74.8Confident220 Ų22067.7 Ų67.796%0.95734%0.338SS*.THydrogen-bonded Turntrans-61.7-24.8-178.3-68.4-174.6178-178.30112.9
476D63.4Low72.6Confident122 Ų12262.2 Ų62.265%0.65231%0.309SS*.THydrogen-bonded Turntrans-86.7-13.8177.364.9-39000113.9R474R474-D476 WeakPolarHBondContact CB-OD1 3.24Å; R474-D476 PolarHBondContact O-N 3.34Å
477M56.3Low70.3Confident16 Ų1666.3 Ų66.38%0.07933%0.325CS..SBendtrans-83.9-5.3-174.3-78.5-163.8-4500114.9N455 R460 E472 R474N455-M477 PolarHBondContact ND2-O 3.01Å; R460-M477 HydrophobicContact CB-CE 3.74Å; R460-M477 HydrophobicContact CB-SD 3.96Å; E472-M477 HydrophobicContact CB-CE 3.73Å; E472-M477 WeakPolarHBondContact O-CE 3.48Å; R474-M477 HydrophobicContact CB-CB 4.27Å; R474-M477 HydrophobicContact CB-CE 3.88Å; R474-M477 HydrophobicContact CB-CG 3.9Å; R474-M477 HydrophobicContact CB-SD 4.38Å; R474-M477 HydrophobicContact CG-CE 3.7Å; R474-M477 HydrophobicContact CG-CG 4.29Å; R474-M477 HydrophobicContact CG-SD 4.17Å; R474-M477 PolarHBondContact O-N 3.37Å
478G53.4Low67.6Low38 Ų3869.6 Ų69.639%0.39234%0.341SS..  trans-108.1137.5-178.300000113.2
479P51.4Low64.8Low83 Ų8372.5 Ų72.554%0.53936%0.357SS..  trans-64.7146.1130.330.2-27.8000108.6K481P479-K481 PolarHBondContact O-N 3.15Å
480T49Very low61.6Low118 Ų11876.1 Ų76.172%0.72437%0.368SS*.SBendtrans-66.212.9172.4-6.10000113.5
481K54.8Low58.2Low73 Ų7375 Ų7532%0.31738%0.384SS..SBendtrans-138.2145.3-161.4-55.6-175-175.6175.60111.4P479 K487P479-K481 PolarHBondContact O-N 3.15Å; K481-K487 HydrophobicContact CD-CB 4.39Å; K481-K487 HydrophobicContact CD-CG 4.02Å; K481-K487 PolarHBondContact NZ-O 3.44Å
482T60.5Low54.8Low21 Ų2182.5 Ų82.513%0.12942%0.415CS..  trans-66.1148.5177.857.70000111.4K93 R309 L484 G485K93-T482 WeakPolarHBondContact O-CG2 3.33Å; R309-T482 PolarHBondContact NH2-O 3.29Å; T482-L484 PolarHBondContact O-N 2.92Å; T482-L484 VanDerWaalsContact O-N 3.08Å; T482-G485 PolarHBondContact O-N 3.13Å; T482-G485 VanDerWaalsContact O-N 3.15Å; T482-G485 VanDerWaalsContact OG1-CA 3.24Å; T482-G485 WeakPolarHBondContact OG1-CA 3.16Å; T482-G485 PolarHBondContact OG1-N 3.48Å; T482-G485 VanDerWaalsContact OG1-N 3.09Å
483D56.1Low51.6Low15 Ų1591 Ų918%0.0845%0.452CS..THydrogen-bonded Turntrans-57.1-29-175.8-72.2-53.2000113.1R309 N312 K316R309-D483 PolarHBondContact NE-O 3.4Å; R309-D483 VanDerWaalsContact NH2-C 3.25Å; R309-D483 PolarHBondContact NH2-O 2.97Å; N312-D483 PolarHBondContact ND2-OD1 3.15Å; N312-D483 PolarHBondContact ND2-OD2 3.28Å; K316-D483 WeakPolarHBondContact CE-OD2 3.07Å; K316-D483 IonicContact NZ-OD2 3.73Å; K316-D483 PolarHBondContact NZ-OD2 3.29Å
484L62.9Low48.6Very low24 Ų2490.9 Ų90.913%0.12648%0.475CS..THydrogen-bonded Turntrans-110.9-1.2-180-57.8-176.9000114.4I224 L301 A302 L305 R309 Y313 T482I224-L484 HydrophobicContact CD1-CD2 3.48Å; I224-L484 VanDerWaalsContact CD1-CD2 3.48Å; L301-L484 HydrophobicContact CD2-CD1 4.37Å; A302-L484 WeakPolarHBondContact CB-O 3.45Å; A302-L484 PolarHBondContact N-O 3.47Å; L305-L484 HydrophobicContact CD1-CD2 4.29Å; R309-L484 VanDerWaalsContact NH2-C 3.26Å; Y313-L484 HydrophobicContact CD2-CD1 4.07Å; Y313-L484 HydrophobicContact CD2-CD2 3.95Å; Y313-L484 HydrophobicContact CD2-CG 4.33Å; Y313-L484 HydrophobicContact CE2-CD1 4.12Å; Y313-L484 HydrophobicContact CG-CD2 4.36Å; T482-L484 PolarHBondContact O-N 2.92Å; T482-L484 VanDerWaalsContact O-N 3.08Å
485G55.9Low46.1Very low6 Ų688.6 Ų88.66%0.06249%0.486CS..SBendtrans-89.5137.8177.400000113.4R309 T482R309-G485 PolarHBondContact NH1-O 3.02Å; R309-G485 PolarHBondContact NH2-O 3.47Å; T482-G485 PolarHBondContact O-N 3.13Å; T482-G485 VanDerWaalsContact O-N 3.15Å; T482-G485 VanDerWaalsContact OG1-CA 3.24Å; T482-G485 WeakPolarHBondContact OG1-CA 3.16Å; T482-G485 PolarHBondContact OG1-N 3.48Å; T482-G485 VanDerWaalsContact OG1-N 3.09Å
486G49.8Very low44.4Very low0 Ų084 Ų840%048%0.478CS..  trans-64.1153.2-174.300000115.6E97 D304E97-G486 WeakPolarHBondContact OE2-CA 3.48Å; D304-G486 WeakPolarHBondContact OD1-CA 3.26Å
487K47.1Very low42.9Very low91 Ų9187.2 Ų87.240%0.39649%0.49SS..SBendtrans-74.4-28.7176.6-78.5172.8-147.5159.30114.9D304 K481 L489D304-K487 PolarHBondContact OD1-N 2.66Å; D304-K487 WeakPolarHBondContact OD2-CB 3.4Å; D304-K487 WeakPolarHBondContact OD2-CD 3.4Å; D304-K487 WeakPolarHBondContact OD2-CE 3.23Å; D304-K487 WeakPolarHBondContact OD2-CG 3.41Å; D304-K487 PolarHBondContact OD2-N 3.38Å; D304-K487 IonicContact OD2-NZ 3.69Å; K481-K487 HydrophobicContact CD-CB 4.39Å; K481-K487 HydrophobicContact CD-CG 4.02Å; K481-K487 PolarHBondContact NZ-O 3.44Å; K487-L489 PolarHBondContact O-N 3.42Å
488H41.6Very low41.8Very low127 Ų12796.3 Ų96.359%0.58853%0.529SS*.  trans-104.474.7-163.9-68.2-65.3000112.5
489L40.6Very low40.8Very low72 Ų7298.3 Ų98.338%0.37754%0.541SS..SBendtrans-76.6-24.9173.1-70.9164.4000113F95 K487F95-L489 HydrophobicContact CD1-CD1 3.45Å; F95-L489 VanDerWaalsContact CD1-CD1 3.45Å; F95-L489 HydrophobicContact CD1-CD2 4.28Å; F95-L489 HydrophobicContact CE1-CD1 3.65Å; F95-L489 HydrophobicContact CE1-CD2 3.71Å; F95-L489 HydrophobicContact CE1-CG 4.31Å; K487-L489 PolarHBondContact O-N 3.42Å
490Y29Very low40.2Very low201 Ų20197.7 Ų97.779%0.78854%0.539SS*.SBendtrans-119.4111.1173.1-66.4-80000108.5K492Y490-K492 PolarHBondContact O-N 3.01Å; Y490-K492 VanDerWaalsContact O-N 3.12Å
491G25.7Very low40.1Very low72 Ų72100.1 Ų100.174%0.74254%0.54SS*.  trans-52.9117.7178.900000111K493G491-K493 PolarHBondContact O-N 3.28Å
492K26Very low39.5Very low188 Ų188103.2 Ų103.282%0.81756%0.559SS**  trans-63.9116.2152.2-88.6-173174.2-177.20105.5Y490 G494Y490-K492 PolarHBondContact O-N 3.01Å; Y490-K492 VanDerWaalsContact O-N 3.12Å; K492-G494 PolarHBondContact O-N 3.02Å
493K26.6Very low38.8Very low207 Ų207104.5 Ų104.590%0.957%0.569SS**  trans-37.5127.3166.2-79.2-178.8174.5179.80108.5G491 A495G491-K493 PolarHBondContact O-N 3.28Å; K493-A495 PolarHBondContact O-N 3.37Å
494G26.5Very low38.1Very low78 Ų78106.3 Ų106.380%0.80458%0.583SS**  trans-43.1121.8-162.900000114.3K492K492-G494 PolarHBondContact O-N 3.02Å
495A26.2Very low37Very low89 Ų89109.5 Ų109.574%0.73660%0.6SS**  trans-88.7126.3149.900000106.4K493 Q497K493-A495 PolarHBondContact O-N 3.37Å; A495-Q497 PolarHBondContact O-N 3.05Å
496P29.8Very low36.6Very low123 Ų123111.2 Ų111.280%0.79962%0.617SS**  trans-61.9134.6-176.514.7-16.1000109.6K498P496-K498 PolarHBondContact O-N 3.48Å
497Q32.6Very low36.5Very low190 Ų190119.4 Ų119.489%0.88865%0.648SS**  trans-50.1114.5175.9-73.5179.3-26.300108.7A495 A499A495-Q497 PolarHBondContact O-N 3.05Å; Q497-A499 PolarHBondContact O-N 2.9Å
498K32.2Very low36.4Very low206 Ų206120.3 Ų120.390%0.89666%0.658SS**  trans-56.7106.5166.4-82.2-174.9174.6-1780106.2P496 S500P496-K498 PolarHBondContact O-N 3.48Å; K498-S500 PolarHBondContact O-N 3.23Å
499A33.6Very low36.5Very low80 Ų80119.8 Ų119.866%0.66166%0.658SS**  trans-50111.317800000108.1Q497Q497-A499 PolarHBondContact O-N 2.9Å
500S36.9Very low36.8Very low71 Ų71119.3 Ų119.350%0.49767%0.665SS.*  trans-66.6141174.769.80000107.7K498 L502 S503K498-S500 PolarHBondContact O-N 3.23Å; S500-L502 PolarHBondContact O-N 3.43Å; S500-S503 WeakPolarHBondContact O-CB 3.39Å; S500-S503 PolarHBondContact O-N 2.99Å; S500-S503 PolarHBondContact O-OG 3.07Å
501F48.2Very low37.6Very low168 Ų168116.5 Ų116.574%0.73766%0.659SS**Hα-helixtrans-51.8-23.2177.7-174.2-99.8000113.3S504F501-S504 PolarHBondContact O-OG 3.48Å
502L42.2Very low38.3Very low139 Ų139124 Ų12473%0.72867%0.665SS**Hα-helixtrans-75.5-30175-67.5169.5000113.1S500 G506S500-L502 PolarHBondContact O-N 3.43Å; L502-G506 PolarHBondContact O-N 2.67Å
503S45.2Very low38.7Very low48 Ų48125.7 Ų125.734%0.33667%0.666SS.*Hα-helixtrans-74-28.2176.170.90000113.3S500 R507S500-S503 WeakPolarHBondContact O-CB 3.39Å; S500-S503 PolarHBondContact O-N 2.99Å; S500-S503 PolarHBondContact O-OG 3.07Å; S503-R507 PolarHBondContact O-N 3Å
504S41.9Very low39.2Very low52 Ų52123.1 Ų123.136%0.36466%0.657SS.*Hα-helixtrans-72.6-35.2173.460.70000111.7F501 G506 R507 N508F501-S504 PolarHBondContact O-OG 3.48Å; S504-G506 VanDerWaalsContact C-N 3.33Å; S504-G506 PolarHBondContact O-N 3.39Å; S504-R507 PolarHBondContact O-N 3.16Å; S504-N508 PolarHBondContact O-N 2.67Å
505L40.3Very low39.7Very low92 Ų92124.6 Ų124.648%0.48265%0.652SS.*Hα-helixtrans-63.7-39.7174.3-137.887.6000111.7R507 N508 L509L505-R507 PolarHBondContact O-N 3.07Å; L505-N508 PolarHBondContact O-N 2.89Å; L505-L509 PolarHBondContact O-N 3.36Å; L505-L509 VanDerWaalsContact O-N 3.14Å
506G46.1Very low40.2Very low42 Ų42130.5 Ų130.543%0.43366%0.662SS.*Hα-helixtrans-63.4-35.4176.500000113.9L502 S504 A510L502-G506 PolarHBondContact O-N 2.67Å; S504-G506 VanDerWaalsContact C-N 3.33Å; S504-G506 PolarHBondContact O-N 3.39Å; G506-A510 WeakPolarHBondContact O-CB 3.49Å; G506-A510 PolarHBondContact O-N 3.45Å
507R48.2Very low40.5Very low172 Ų172132.1 Ų132.165%0.64966%0.656SS**Hα-helixtrans-71.9-37.9175.2-69.9-173.4-157-176.85.2112.4S503 S504 L505 L509 A510 H511S503-R507 PolarHBondContact O-N 3Å; S504-R507 PolarHBondContact O-N 3.16Å; L505-R507 PolarHBondContact O-N 3.07Å; R507-L509 VanDerWaalsContact C-N 3.29Å; R507-L509 PolarHBondContact O-N 3.16Å; R507-A510 PolarHBondContact O-N 3.26Å; R507-H511 PolarHBondContact O-CD2 3Å; R507-H511 VanDerWaalsContact O-CD2 3.27Å; R507-H511 PolarHBondContact O-N 3.44Å; R507-H511 VanDerWaalsContact O-N 3.08Å
508N45.7Very low40.8Very low110 Ų110130.9 Ų130.959%0.58865%0.648SS**Hα-helixtrans-65.1-34.9176.8-74.6-12.3000111.9S504 L505 W512S504-N508 PolarHBondContact O-N 2.67Å; L505-N508 PolarHBondContact O-N 2.89Å; N508-W512 VanDerWaalsContact O-CD1 3.28Å
509L43.2Very low40.8Very low115 Ų115129 Ų12960%0.60265%0.648SS**Hα-helixtrans-74.5-33.5173.8-88.1149.1000113.4L505 R507 W512L505-L509 PolarHBondContact O-N 3.36Å; L505-L509 VanDerWaalsContact O-N 3.14Å; R507-L509 VanDerWaalsContact C-N 3.29Å; R507-L509 PolarHBondContact O-N 3.16Å; L509-W512 PolarHBondContact O-N 2.75Å
510A47.8Very low41.1Very low63 Ų63135.3 Ų135.352%0.52168%0.677SS.*Hα-helixtrans-67.5-35.3176.300000112.4G506 R507 W512 R513G506-A510 WeakPolarHBondContact O-CB 3.49Å; G506-A510 PolarHBondContact O-N 3.45Å; R507-A510 PolarHBondContact O-N 3.26Å; A510-W512 PolarHBondContact O-N 2.71Å; A510-R513 PolarHBondContact O-N 2.91Å
511H45.4Very low41.3Very low141 Ų141138.5 Ų138.565%0.65369%0.687SS**Hα-helixtrans-68.6-18.8174.6-82-65.8000113.9R507 R513R507-H511 PolarHBondContact O-CD2 3Å; R507-H511 VanDerWaalsContact O-CD2 3.27Å; R507-H511 PolarHBondContact O-N 3.44Å; R507-H511 VanDerWaalsContact O-N 3.08Å; H511-R513 VanDerWaalsContact C-N 3.34Å
512W39Very low41Very low229 Ų229136.9 Ų136.987%0.86768%0.684SS**THydrogen-bonded Turntrans-79.2-13.9174.6-9065.8000114N508 L509 A510N508-W512 VanDerWaalsContact O-CD1 3.28Å; L509-W512 PolarHBondContact O-N 2.75Å; A510-W512 PolarHBondContact O-N 2.71Å
513R36.1Very low40.9Very low224 Ų224136.8 Ų136.885%0.84568%0.681SS**THydrogen-bonded Turntrans-107.911.1-176.1-72.3-164.5-179.8-152.31.8115.2A510 H511 P515A510-R513 PolarHBondContact O-N 2.91Å; H511-R513 VanDerWaalsContact C-N 3.34Å; R513-P515 WeakPolarHBondContact O-CD 3.41Å
514Q36.2Very low40.7Very low154 Ų154142.1 Ų142.172%0.7270%0.702SS**SBendtrans-91116.4166.5-73.3-164.3-24.300110.1K516Q514-K516 PolarHBondContact O-N 3.27Å
515P36.2Very low40.6Very low108 Ų108147.7 Ų147.770%0.70172%0.723SS**  trans-66.6126.8174.926.4-29.9000109.2R513 K517R513-P515 WeakPolarHBondContact O-CD 3.41Å; P515-K517 PolarHBondContact O-N 3.32Å
516K37.3Very low40.6Very low214 Ų214151.4 Ų151.493%0.9374%0.739SS**  trans-60.1107.5167.9-70-177.2177.3-176.60108.5Q514Q514-K516 PolarHBondContact O-N 3.27Å
517K35.9Very low40.2Very low157 Ų157159.2 Ų159.268%0.68376%0.761SS**  trans-142125.5171.4-103.4-173.5164.9-164.50104.8P515P515-K517 PolarHBondContact O-N 3.32Å
518F39Very low39.6Very low163 Ų163158.2 Ų158.272%0.71577%0.769SS**  cis-148.4139.65.7-85.9-90.6000107.2
519D32.1Very low39.1Very low167 Ų167162.3 Ų162.389%0.89379%0.785SS**  trans-93.899155.3-74.9-40.4000107
520V41Very low38.7Very low212 Ų212166.5 Ų166.5100%1.28580%0.801SS**  trans-1560141.9-177.70000107.2

Retrieved 520 of 520 residues in 221.9 ms (Link to these results)

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