A0A077ZJY1_TRITR Loading...

GSHPx domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZJY1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 378 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
1M43.9Very low72.5Confident209 Ų20972.9 Ų72.9100%1.0339%0.389SS*.  01240-74.6176.2175.900107.4S3M1-S3 PolarHBondContact O-N 3.28Å
2S44.6Very low74.3Confident55 Ų5572.5 Ų72.539%0.38539%0.387SS..  trans-51.8126177.5174.90000109.6S4S2-S4 PolarHBondContact O-N 3.12Å
3S55.4Low75.6Confident64 Ų6467.5 Ų67.545%0.44836%0.36SS..  trans-64.3134.4173.292.60000107.5M1 K5 E6M1-S3 PolarHBondContact O-N 3.28Å; S3-K5 PolarHBondContact O-N 2.77Å; S3-E6 PolarHBondContact O-N 2.97Å
4S59.8Low76.8Confident27 Ų2768.1 Ų68.119%0.18937%0.367CS..THydrogen-bonded Turntrans-54.5-16.5-175.858.40000114.5S2 V129S2-S4 PolarHBondContact O-N 3.12Å; S4-V129 WeakPolarHBondContact OG-CG1 3.5Å
5K59.8Low77.7Confident194 Ų19463.7 Ų63.784%0.84334%0.344SS*.THydrogen-bonded Turntrans-71.8-22.1178-71.8-171.1175.4-175.70114.3S3S3-K5 PolarHBondContact O-N 2.77Å
6E79.3Confident78.4Confident159 Ų15965.6 Ų65.674%0.74335%0.347SS*.THydrogen-bonded Turntrans-99.6-14.7-178.7-69.1-176.2170.200113.6S3 S8S3-E6 PolarHBondContact O-N 2.97Å; E6-S8 PolarHBondContact O-N 3.29Å
7A89.6Confident79.1Confident4 Ų463.4 Ų63.43%0.03334%0.336CS..  trans-67.5130.1178.600000111D12 F13 Y130 R134A7-D12 HydrophobicContact CB-CB 4.18Å; A7-F13 HydrophobicContact CB-CE1 4.16Å; A7-F13 HydrophobicContact CB-CE2 3.51Å; A7-F13 HydrophobicContact CB-CZ 3.27Å; A7-Y130 HydrophobicContact CB-CD2 3.78Å; A7-Y130 HydrophobicContact CB-CE2 3.98Å; A7-Y130 WeakPolarHBondContact O-CE2 3.37Å; A7-R134 PolarHBondContact O-NH2 2.83Å
8S91.7Very high79.4Confident75 Ų7560.4 Ų60.452%0.52432%0.32SS..SBendtrans-91.9-30.3177.869.90000111.7E6 D12 Y130 Q157E6-S8 PolarHBondContact O-N 3.29Å; S8-D12 WeakPolarHBondContact CA-OD2 3.48Å; S8-D12 PolarHBondContact N-OD2 2.74Å; S8-D12 PolarHBondContact OG-OD2 2.91Å; S8-Y130 PolarHBondContact O-OH 3.36Å; S8-Q157 PolarHBondContact O-NE2 3.16Å
9S92.3Very high79.9Confident6 Ų661.4 Ų61.44%0.04233%0.325CS..SBendtrans-145.4165.4-177.176.20000111.4Y11 D12 F13 Y130 S155S9-Y11 PolarHBondContact O-N 3.02Å; S9-Y11 VanDerWaalsContact O-N 3.14Å; S9-Y11 WeakPolarHBondContact OG-CB 3.5Å; S9-Y11 PolarHBondContact OG-N 3.41Å; S9-Y11 VanDerWaalsContact OG-N 3.14Å; S9-D12 PolarHBondContact N-OD2 3.13Å; S9-D12 PolarHBondContact O-N 3.39Å; S9-F13 WeakPolarHBondContact O-CE2 3.39Å; S9-Y130 WeakPolarHBondContact CA-OH 3.38Å; S9-S155 WeakPolarHBondContact CB-O 3.2Å
10V90.9Very high80.3Confident2 Ų261.6 Ų61.61%0.01233%0.332CS..G310 helixtrans-62.2-17.9170.2-59.30000112.8D12 F13 M25 L127 Y130 L131 I152 G156 P158V10-D12 PolarHBondContact O-N 3.19Å; V10-F13 WeakPolarHBondContact O-CD2 3.43Å; V10-F13 PolarHBondContact O-N 3.39Å; V10-M25 WeakPolarHBondContact O-CB 3.27Å; V10-L127 HydrophobicContact CB-CD1 4.14Å; V10-L127 HydrophobicContact CG1-CD1 4.08Å; V10-Y130 HydrophobicContact CG1-CD1 4.13Å; V10-Y130 HydrophobicContact CG1-CE1 3.67Å; V10-L131 HydrophobicContact CG1-CD2 3.96Å; V10-I152 HydrophobicContact CG1-CD1 3.98Å; V10-I152 HydrophobicContact CG1-CG1 4.36Å; V10-I152 HydrophobicContact CG1-CG2 4.18Å; V10-I152 HydrophobicContact CG2-CG2 3.65Å; V10-G156 PolarHBondContact N-O 2.81Å; V10-P158 HydrophobicContact CG1-CG 4.35Å
11Y90.4Very high81Confident7 Ų763 Ų633%0.02734%0.339CS..G310 helixtrans-73-16.2-179-54.1-46.2000112.8S9 F13 M25 E26 Y28 K29 R154 G156S9-Y11 PolarHBondContact O-N 3.02Å; S9-Y11 VanDerWaalsContact O-N 3.14Å; S9-Y11 WeakPolarHBondContact OG-CB 3.5Å; S9-Y11 PolarHBondContact OG-N 3.41Å; S9-Y11 VanDerWaalsContact OG-N 3.14Å; Y11-F13 PolarHBondContact O-N 2.98Å; Y11-M25 VanDerWaalsContact CD1-O 3.32Å; Y11-M25 WeakPolarHBondContact CD1-O 3.4Å; Y11-E26 WeakPolarHBondContact O-CG 3.31Å; Y11-E26 PolarHBondContact O-N 3.48Å; Y11-Y28 VanDerWaalsContact CE1-C 3.49Å; Y11-Y28 WeakPolarHBondContact CE1-O 3.33Å; Y11-Y28 PolarHBondContact OH-O 3.27Å; Y11-K29 HydrophobicContact CD1-CB 4.02Å; Y11-K29 HydrophobicContact CD2-CB 3.92Å; Y11-K29 HydrophobicContact CD2-CD 3.7Å; Y11-K29 HydrophobicContact CD2-CG 3.8Å; Y11-K29 HydrophobicContact CE1-CB 3.99Å; Y11-K29 HydrophobicContact CE2-CB 3.86Å; Y11-K29 HydrophobicContact CE2-CD 4.13Å; Y11-K29 HydrophobicContact CE2-CG 3.71Å; Y11-K29 HydrophobicContact CG-CB 3.98Å; Y11-K29 HydrophobicContact CG-CD 4.13Å; Y11-K29 HydrophobicContact CG-CG 4.33Å; Y11-R154 PolarHBondContact OH-O 3.31Å; Y11-G156 VanDerWaalsContact CE2-CA 3.46Å; Y11-G156 VanDerWaalsContact CE2-N 3.28Å
12D93.6Very high83.4Confident68 Ų6858.5 Ų58.536%0.36432%0.319SS..G310 helixtrans-78.8-1.2179.3-56-28.1000112.9A7 S8 S9 V10A7-D12 HydrophobicContact CB-CB 4.18Å; S8-D12 WeakPolarHBondContact CA-OD2 3.48Å; S8-D12 PolarHBondContact N-OD2 2.74Å; S8-D12 PolarHBondContact OG-OD2 2.91Å; S9-D12 PolarHBondContact N-OD2 3.13Å; S9-D12 PolarHBondContact O-N 3.39Å; V10-D12 PolarHBondContact O-N 3.19Å
13F92.1Very high85.5Confident8 Ų856.5 Ų56.54%0.03531%0.305CS..  trans-102.5145.7-177.2-62.7-85.3000112.5A7 S9 V10 Y11 M25 P126 L127 Y130A7-F13 HydrophobicContact CB-CE1 4.16Å; A7-F13 HydrophobicContact CB-CE2 3.51Å; A7-F13 HydrophobicContact CB-CZ 3.27Å; S9-F13 WeakPolarHBondContact O-CE2 3.39Å; V10-F13 WeakPolarHBondContact O-CD2 3.43Å; V10-F13 PolarHBondContact O-N 3.39Å; Y11-F13 PolarHBondContact O-N 2.98Å; F13-M25 HydrophobicContact CB-CG 4.21Å; F13-M25 VanDerWaalsContact O-CB 3.27Å; F13-M25 WeakPolarHBondContact O-CB 3.29Å; F13-M25 VanDerWaalsContact O-CG 3.26Å; F13-M25 WeakPolarHBondContact O-CG 3.39Å; F13-M25 PolarHBondContact O-N 3.2Å; F13-P126 HydrophobicContact CD1-CB 4.12Å; F13-P126 VanDerWaalsContact CE1-C 3.49Å; F13-P126 HydrophobicContact CE1-CB 3.76Å; F13-L127 HydrophobicContact CB-CB 4.37Å; F13-L127 HydrophobicContact CB-CD1 4.36Å; F13-L127 HydrophobicContact CD1-CB 4.03Å; F13-L127 HydrophobicContact CD2-CD1 3.68Å; F13-L127 HydrophobicContact CE1-CB 4.5Å; F13-L127 HydrophobicContact CE2-CD1 4.12Å; F13-L127 HydrophobicContact CG-CB 4.03Å; F13-L127 HydrophobicContact CG-CD1 3.98Å; F13-Y130 AromaticContact CE2-CD1 3.88Å; F13-Y130 HydrophobicContact CE2-CD1 3.88Å; F13-Y130 AromaticContact CE2-CD2 3.79Å; F13-Y130 HydrophobicContact CE2-CD2 3.79Å; F13-Y130 HydrophobicContact CE2-CE1 4.43Å; F13-Y130 HydrophobicContact CE2-CE2 4.3Å; F13-Y130 AromaticContact CE2-CG 3.57Å; F13-Y130 HydrophobicContact CE2-CG 3.57Å; F13-Y130 VanDerWaalsContact CZ-CB 3.41Å; F13-Y130 HydrophobicContact CZ-CD1 4.34Å; F13-Y130 AromaticContact CZ-CD2 3.78Å; F13-Y130 HydrophobicContact CZ-CD2 3.78Å; F13-Y130 AromaticContact CZ-CG 3.6Å; F13-Y130 HydrophobicContact CZ-CG 3.6Å
14T91.5Very high87.3Confident75 Ų7556 Ų5646%0.4630%0.302SS..EExtended strand (participates in β ladder)trans-108.9136.9163.2-590000108D22 V23T14-D22 HydrophobicContact CG2-CB 3.78Å; T14-V23 WeakPolarHBondContact CA-O 3.41Å
15V90.1Very high88.6Confident3 Ų355 Ų552%0.01829%0.294CS..EExtended strand (participates in β ladder)trans-127.5161.1178.1-73.20000109.1V23 M25 I60 Y114 L127V15-V23 PolarHBondContact N-O 2.99Å; V15-V23 PolarHBondContact O-N 2.89Å; V15-M25 HydrophobicContact CG2-CG 4.15Å; V15-M25 HydrophobicContact CG2-SD 3.54Å; V15-M25 VanDerWaalsContact CG2-SD 3.54Å; V15-I60 HydrophobicContact CG1-CD1 4.42Å; V15-Y114 HydrophobicContact CB-CD1 3.93Å; V15-Y114 HydrophobicContact CB-CE1 4.2Å; V15-Y114 HydrophobicContact CG2-CD1 3.35Å; V15-Y114 HydrophobicContact CG2-CE1 3.14Å; V15-Y114 HydrophobicContact CG2-CG 4.39Å; V15-L127 HydrophobicContact CG1-CD2 3.78Å
16K90.1Very high90Very high93 Ų9350.1 Ų50.140%0.40427%0.274SS..EExtended strand (participates in β ladder)trans-90.5125.7173.2-72.5-168.7171.8-59.70110.7S20 N21 D22 Y114 S115K16-S20 PolarHBondContact NZ-O 2.97Å; K16-N21 CarbonylContact C-O 3.51Å; K16-N21 VanDerWaalsContact CA-O 3.27Å; K16-N21 WeakPolarHBondContact CA-O 3.38Å; K16-D22 IonicContact NZ-OD1 2.61Å; K16-D22 PolarHBondContact NZ-OD1 3.04Å; K16-Y114 CarbonylContact O-C 3.51Å; K16-Y114 WeakPolarHBondContact O-CA 3.16Å; K16-Y114 VanDerWaalsContact O-CB 3.29Å; K16-Y114 WeakPolarHBondContact O-CB 3.45Å; K16-Y114 VanDerWaalsContact O-CD1 3.26Å; K16-Y114 WeakPolarHBondContact O-CD1 3.2Å; K16-S115 PolarHBondContact O-N 3.35Å
17D89.5Confident90.2Very high28 Ų2849.1 Ų49.115%0.1526%0.264CS..BIsolated β-bridgetrans-65.1171.517072.414.8000111.3D19 S20 N21 V23 Y114 S115D17-D19 PolarHBondContact O-N 3.44Å; D17-D19 WeakPolarHBondContact OD1-CA 3.4Å; D17-D19 PolarHBondContact OD1-N 2.84Å; D17-S20 WeakPolarHBondContact O-CA 3.5Å; D17-S20 PolarHBondContact O-N 2.88Å; D17-S20 PolarHBondContact OD1-N 3.42Å; D17-S20 VanDerWaalsContact OD1-N 3.08Å; D17-N21 PolarHBondContact N-O 2.67Å; D17-N21 PolarHBondContact OD1-N 3.21Å; D17-N21 PolarHBondContact OD1-ND2 2.7Å; D17-N21 WeakPolarHBondContact OD2-CB 3.33Å; D17-N21 PolarHBondContact OD2-ND2 2.91Å; D17-V23 HydrophobicContact CB-CG2 3.77Å; D17-Y114 HydrophobicContact CB-CD1 4.46Å; D17-S115 PolarHBondContact O-N 3.1Å; D17-S115 PolarHBondContact O-OG 2.91Å
18I84.8Confident89.7Confident10 Ų1049.4 Ų49.45%0.05126%0.264CS..THydrogen-bonded Turntrans-65.9-8.6-177.7-160.4154.2000113.9E96 I99 K100 M113I18-E96 WeakPolarHBondContact CD1-O 3.45Å; I18-E96 HydrophobicContact CG1-CB 3.86Å; I18-I99 HydrophobicContact CD1-CB 4.31Å; I18-I99 HydrophobicContact CD1-CG2 4.1Å; I18-K100 HydrophobicContact CD1-CB 3.85Å; I18-K100 HydrophobicContact CG1-CB 4.15Å; I18-K100 HydrophobicContact CG2-CB 4.26Å; I18-K100 HydrophobicContact CG2-CD 3.75Å; I18-K100 HydrophobicContact CG2-CG 4.1Å; I18-M113 HydrophobicContact CB-CB 3.94Å; I18-M113 WeakPolarHBondContact CB-O 3.12Å; I18-M113 HydrophobicContact CD1-CB 3.76Å; I18-M113 HydrophobicContact CD1-SD 4.22Å; I18-M113 HydrophobicContact CG1-CB 4.47Å; I18-M113 HydrophobicContact CG2-CB 3.94Å; I18-M113 PolarHBondContact N-O 2.88Å
19D89.1Confident89.1Confident79 Ų7950.7 Ų50.742%0.42226%0.26SS..THydrogen-bonded Turntrans-103.115.1172.8-56.4-60.9000111.3D17 N21 K100D17-D19 PolarHBondContact O-N 3.44Å; D17-D19 WeakPolarHBondContact OD1-CA 3.4Å; D17-D19 PolarHBondContact OD1-N 2.84Å; D19-N21 VanDerWaalsContact C-N 3.28Å; D19-N21 PolarHBondContact O-N 3.41Å; D19-K100 IonicContact OD1-NZ 2.79Å; D19-K100 PolarHBondContact OD1-NZ 3.29Å; D19-K100 IonicContact OD2-NZ 2.7Å; D19-K100 PolarHBondContact OD2-NZ 2.51Å
20S88.6Confident87.8Confident66 Ų6653.7 Ų53.746%0.46228%0.275SS..SBendtrans67.412.3179.5-61.40000116.5K16 D17K16-S20 PolarHBondContact NZ-O 2.97Å; D17-S20 WeakPolarHBondContact O-CA 3.5Å; D17-S20 PolarHBondContact O-N 2.88Å; D17-S20 PolarHBondContact OD1-N 3.42Å; D17-S20 VanDerWaalsContact OD1-N 3.08Å
21N94.1Very high86Confident91 Ų9156.4 Ų56.449%0.48730%0.304SS..  trans-79142.4175.9-50.3-66.4000111K16 D17 D19 V23K16-N21 CarbonylContact C-O 3.51Å; K16-N21 VanDerWaalsContact CA-O 3.27Å; K16-N21 WeakPolarHBondContact CA-O 3.38Å; D17-N21 PolarHBondContact N-O 2.67Å; D17-N21 PolarHBondContact OD1-N 3.21Å; D17-N21 PolarHBondContact OD1-ND2 2.7Å; D17-N21 WeakPolarHBondContact OD2-CB 3.33Å; D17-N21 PolarHBondContact OD2-ND2 2.91Å; D19-N21 VanDerWaalsContact C-N 3.28Å; D19-N21 PolarHBondContact O-N 3.41Å; N21-V23 PolarHBondContact O-N 2.91Å
22D94.1Very high83.5Confident114 Ų11464.6 Ų64.661%0.6135%0.348SS*.EExtended strand (participates in β ladder)trans-71.1123.4172.9-71.2-17.9000110.4T14 K16T14-D22 HydrophobicContact CG2-CB 3.78Å; K16-D22 IonicContact NZ-OD1 2.61Å; K16-D22 PolarHBondContact NZ-OD1 3.04Å
23V89.7Confident81Confident13 Ų1365.9 Ų65.98%0.07935%0.354CS..EExtended strand (participates in β ladder)trans-122.2116.9-1801770000109T14 V15 D17 N21 R27 Y114T14-V23 WeakPolarHBondContact CA-O 3.41Å; V15-V23 PolarHBondContact N-O 2.99Å; V15-V23 PolarHBondContact O-N 2.89Å; D17-V23 HydrophobicContact CB-CG2 3.77Å; N21-V23 PolarHBondContact O-N 2.91Å; V23-R27 HydrophobicContact CG1-CG 4.42Å; V23-Y114 HydrophobicContact CB-CE1 4.07Å; V23-Y114 HydrophobicContact CG1-CE1 4.11Å
24S92Very high78.2Confident54 Ų5471 Ų7138%0.37839%0.39SS..EExtended strand (participates in β ladder)trans-71.2131.5171.8177.60000110.3E26 R27S24-E26 PolarHBondContact O-N 2.91Å; S24-E26 WeakPolarHBondContact OG-CB 3.24Å; S24-E26 PolarHBondContact OG-N 2.88Å; S24-R27 VanDerWaalsContact O-CG 3.26Å; S24-R27 WeakPolarHBondContact O-CG 3.39Å; S24-R27 PolarHBondContact O-N 3.42Å
25M87.7Confident75.5Confident6 Ų672.5 Ų72.53%0.0340%0.4CS..G310 helixtrans-69.2-16.7175.9-65.8-60.8-72.700112.4V10 Y11 F13 V15 R27 Y28 I42V10-M25 WeakPolarHBondContact O-CB 3.27Å; Y11-M25 VanDerWaalsContact CD1-O 3.32Å; Y11-M25 WeakPolarHBondContact CD1-O 3.4Å; F13-M25 HydrophobicContact CB-CG 4.21Å; F13-M25 VanDerWaalsContact O-CB 3.27Å; F13-M25 WeakPolarHBondContact O-CB 3.29Å; F13-M25 VanDerWaalsContact O-CG 3.26Å; F13-M25 WeakPolarHBondContact O-CG 3.39Å; F13-M25 PolarHBondContact O-N 3.2Å; V15-M25 HydrophobicContact CG2-CG 4.15Å; V15-M25 HydrophobicContact CG2-SD 3.54Å; V15-M25 VanDerWaalsContact CG2-SD 3.54Å; M25-R27 PolarHBondContact O-N 3.15Å; M25-Y28 HydrophobicContact CE-CD2 3.75Å; M25-Y28 HydrophobicContact CE-CE2 3.82Å; M25-Y28 WeakPolarHBondContact O-CD2 3.41Å; M25-Y28 PolarHBondContact O-N 2.97Å; M25-Y28 HydrophobicContact SD-CD2 4.06Å; M25-Y28 HydrophobicContact SD-CE2 3.82Å; M25-I42 HydrophobicContact CE-CD1 4.32Å
26E88.9Confident73Confident92 Ų9277.3 Ų77.343%0.4342%0.421SS..G310 helixtrans-53.3-23.8169.4-86-114.8127.700112.5Y11 S24 Y28 K29Y11-E26 WeakPolarHBondContact O-CG 3.31Å; Y11-E26 PolarHBondContact O-N 3.48Å; S24-E26 PolarHBondContact O-N 2.91Å; S24-E26 WeakPolarHBondContact OG-CB 3.24Å; S24-E26 PolarHBondContact OG-N 2.88Å; E26-Y28 PolarHBondContact O-N 3.07Å; E26-K29 WeakPolarHBondContact O-CB 3.25Å; E26-K29 PolarHBondContact O-N 2.69Å; E26-K29 VanDerWaalsContact OE1-CD 3.23Å; E26-K29 WeakPolarHBondContact OE1-CD 3.46Å; E26-K29 IonicContact OE1-NZ 2.62Å; E26-K29 PolarHBondContact OE1-NZ 2.95Å
27R83.9Confident70.9Confident137 Ų13775.3 Ų75.352%0.51741%0.413SS..G310 helixtrans-58-20.1174.576.2-179-76.9-175.3-16.6113.7V23 S24 M25 D112V23-R27 HydrophobicContact CG1-CG 4.42Å; S24-R27 VanDerWaalsContact O-CG 3.26Å; S24-R27 WeakPolarHBondContact O-CG 3.39Å; S24-R27 PolarHBondContact O-N 3.42Å; M25-R27 PolarHBondContact O-N 3.15Å; R27-D112 IonicContact CZ-OD1 2.7Å; R27-D112 IonicContact CZ-OD2 2.73Å; R27-D112 IonicContact NH1-OD1 2.61Å; R27-D112 IonicContact NH2-OD1 2.69Å; R27-D112 PolarHBondContact NH2-OD1 2.79Å; R27-D112 VanDerWaalsContact NH2-OD1 3.11Å; R27-D112 IonicContact NH2-OD2 3.9Å; R27-D112 PolarHBondContact NH2-OD2 2.93Å
28Y78Confident69Low10 Ų1074.4 Ų74.44%0.03941%0.408CS..G310 helixtrans-94.44.5176.1-58.3-61.3000113.6Y11 M25 E26 Q38 S62 T64 D112 Y114Y11-Y28 VanDerWaalsContact CE1-C 3.49Å; Y11-Y28 WeakPolarHBondContact CE1-O 3.33Å; Y11-Y28 PolarHBondContact OH-O 3.27Å; M25-Y28 HydrophobicContact CE-CD2 3.75Å; M25-Y28 HydrophobicContact CE-CE2 3.82Å; M25-Y28 WeakPolarHBondContact O-CD2 3.41Å; M25-Y28 PolarHBondContact O-N 2.97Å; M25-Y28 HydrophobicContact SD-CD2 4.06Å; M25-Y28 HydrophobicContact SD-CE2 3.82Å; E26-Y28 PolarHBondContact O-N 3.07Å; Y28-Q38 PolarHBondContact O-NE2 3.02Å; Y28-S62 PolarHBondContact OH-OG 3.43Å; Y28-T64 WeakPolarHBondContact CD1-OG1 3.44Å; Y28-D112 WeakPolarHBondContact CE1-OD2 3.34Å; Y28-D112 VanDerWaalsContact OH-CB 3.25Å; Y28-D112 WeakPolarHBondContact OH-CB 3.38Å; Y28-D112 PolarHBondContact OH-OD2 2.7Å; Y28-Y114 VanDerWaalsContact CE2-OH 3.23Å; Y28-Y114 WeakPolarHBondContact CE2-OH 3.49Å; Y28-Y114 PolarHBondContact OH-OH 2.88Å
29K79.9Confident67.2Low103 Ų10374 Ų7445%0.44841%0.406SS..  trans-91.7115173.6-168.9176.9178.4178.10108.2Y11 E26Y11-K29 HydrophobicContact CD1-CB 4.02Å; Y11-K29 HydrophobicContact CD2-CB 3.92Å; Y11-K29 HydrophobicContact CD2-CD 3.7Å; Y11-K29 HydrophobicContact CD2-CG 3.8Å; Y11-K29 HydrophobicContact CE1-CB 3.99Å; Y11-K29 HydrophobicContact CE2-CB 3.86Å; Y11-K29 HydrophobicContact CE2-CD 4.13Å; Y11-K29 HydrophobicContact CE2-CG 3.71Å; Y11-K29 HydrophobicContact CG-CB 3.98Å; Y11-K29 HydrophobicContact CG-CD 4.13Å; Y11-K29 HydrophobicContact CG-CG 4.33Å; E26-K29 WeakPolarHBondContact O-CB 3.25Å; E26-K29 PolarHBondContact O-N 2.69Å; E26-K29 VanDerWaalsContact OE1-CD 3.23Å; E26-K29 WeakPolarHBondContact OE1-CD 3.46Å; E26-K29 IonicContact OE1-NZ 2.62Å; E26-K29 PolarHBondContact OE1-NZ 2.95Å
30L63.9Low65.5Low68 Ų6870.6 Ų70.636%0.35639%0.388SS..  trans-81.1125.4169.5-74.8169000109F36 Q38L30-F36 HydrophobicContact CD1-CB 3.81Å; L30-Q38 HydrophobicContact CD1-CB 3.53Å; L30-Q38 HydrophobicContact CD1-CG 4.39Å; L30-Q38 HydrophobicContact CG-CB 4.35Å
31G53.4Low63.8Low59 Ų5967.5 Ų67.561%0.60837%0.367SS*.  trans-64.1178.216400000111.7I33G31-I33 PolarHBondContact O-N 3.04Å
32N39.2Very low62.1Low179 Ų17963.3 Ų63.396%0.95734%0.344SS*.SBendtrans-48.439.6-172.5-82.3-17.8000118.6S34N32-S34 PolarHBondContact O-N 3.04Å
33I40Very low60.1Low96 Ų9658 Ų5849%0.49232%0.316SS..  trans-88.393.4169.3-45.1-179.8000106.1G31 T35 F36G31-I33 PolarHBondContact O-N 3.04Å; I33-T35 PolarHBondContact O-N 3.4Å; I33-F36 HydrophobicContact CB-CD2 4.32Å; I33-F36 HydrophobicContact CG2-CD2 3.52Å; I33-F36 HydrophobicContact CG2-CE2 4.09Å; I33-F36 PolarHBondContact O-N 3.27Å
34S33.5Very low58.3Low114 Ų11457.4 Ų57.480%0.79731%0.312SS*.THydrogen-bonded Turntrans-55.9-13.8-172.7560000115N32N32-S34 PolarHBondContact O-N 3.04Å
35T35.6Very low56.2Low107 Ų10755.1 Ų55.166%0.65630%0.297SS*.THydrogen-bonded Turntrans-108.1-4.2-174.347.20000115.3I33I33-T35 PolarHBondContact O-N 3.4Å
36F37.2Very low54.5Low105 Ų10556.2 Ų56.246%0.46130%0.303SS..  trans-106121.2178.8-77-88.5000112.1L30 I33 N66 R154L30-F36 HydrophobicContact CD1-CB 3.81Å; I33-F36 HydrophobicContact CB-CD2 4.32Å; I33-F36 HydrophobicContact CG2-CD2 3.52Å; I33-F36 HydrophobicContact CG2-CE2 4.09Å; I33-F36 PolarHBondContact O-N 3.27Å; F36-N66 HydrophobicContact CD1-CB 4.41Å; F36-R154 VanDerWaalsContact C-NH2 3.27Å; F36-R154 PolarHBondContact O-NH2 2.77Å
37M46.1Very low52.2Low51 Ų5155.2 Ų55.225%0.25130%0.299SS..  trans-111.598.2-170.2-155.6126.140.100107.1M65 N66 R154 L179M37-M65 VanDerWaalsContact O-O 3.04Å; M37-N66 CarbonylContact O-C 3.48Å; M37-N66 WeakPolarHBondContact O-CA 3.44Å; M37-R154 VanDerWaalsContact CB-NH2 3.25Å; M37-R154 VanDerWaalsContact CG-NH2 3.31Å; M37-R154 PolarHBondContact SD-NH1 2.78Å; M37-R154 PolarHBondContact SD-NH2 2.9Å; M37-L179 HydrophobicContact CB-CD2 4.03Å; M37-L179 WeakPolarHBondContact CE-O 3.4Å; M37-L179 VanDerWaalsContact CG-CA 3.46Å; M37-L179 HydrophobicContact CG-CB 4.37Å; M37-L179 HydrophobicContact CG-CD2 4.13Å; M37-L179 WeakPolarHBondContact CG-O 3.27Å; M37-L179 WeakPolarHBondContact O-CD2 3.32Å
38Q48.8Very low49.9Very low9 Ų952.9 Ų52.94%0.04230%0.302CS..  trans-101.4127.3-172172.3161.3-1900111.1Y28 L30 T64 M65 R154Y28-Q38 PolarHBondContact O-NE2 3.02Å; L30-Q38 HydrophobicContact CD1-CB 3.53Å; L30-Q38 HydrophobicContact CD1-CG 4.39Å; L30-Q38 HydrophobicContact CG-CB 4.35Å; Q38-T64 HydrophobicContact CG-CG2 3.76Å; Q38-T64 PolarHBondContact NE2-OG1 3.21Å; Q38-M65 CarbonylContact C-O 3.5Å; Q38-M65 VanDerWaalsContact CA-O 3.26Å; Q38-M65 WeakPolarHBondContact CA-O 3.3Å; Q38-R154 WeakPolarHBondContact O-CG 3.25Å
39V48.2Very low47.9Very low1 Ų155.3 Ų55.31%0.00632%0.32CS..EExtended strand (participates in β ladder)trans-121.9125.3174.4173.70000107.6M65 L151 I175 L178 L179V39-M65 HydrophobicContact CB-CB 4.33Å; V39-M65 PolarHBondContact N-O 2.93Å; V39-M65 WeakPolarHBondContact O-CB 3.46Å; V39-M65 PolarHBondContact O-N 3.05Å; V39-L151 HydrophobicContact CG1-CD1 3.2Å; V39-L151 HydrophobicContact CG1-CG 4.3Å; V39-I175 HydrophobicContact CG1-CG1 4.2Å; V39-I175 HydrophobicContact CG1-CG2 4.33Å; V39-L178 HydrophobicContact CG1-CD1 4.1Å; V39-L178 HydrophobicContact CG2-CB 3.68Å; V39-L178 HydrophobicContact CG2-CD1 4.13Å; V39-L179 HydrophobicContact CB-CD2 4.49Å; V39-L179 HydrophobicContact CG2-CD2 3.75Å; V39-L179 HydrophobicContact CG2-CG 3.94Å
40S52Low45.7Very low7 Ų755.4 Ų55.45%0.04933%0.334CS..EExtended strand (participates in β ladder)trans-106.4133.6-179.4-67.20000110.2V63 T64 I152S40-V63 CarbonylContact C-O 3.5Å; S40-V63 VanDerWaalsContact CA-O 3.31Å; S40-V63 WeakPolarHBondContact CA-O 3.2Å; S40-T64 PolarHBondContact OG-OG1 2.92Å; S40-I152 PolarHBondContact N-O 2.84Å; S40-I152 VanDerWaalsContact O-CB 3.3Å; S40-I152 WeakPolarHBondContact O-CB 3.34Å; S40-I152 WeakPolarHBondContact O-CG1 3.38Å; S40-I152 PolarHBondContact O-N 2.9Å
41L54.1Low44.2Very low2 Ų260.5 Ų60.51%0.0136%0.361CS..EExtended strand (participates in β ladder)trans-120.4116.6-177.8-176.266.9000109.9L43 S62 V63 K149 F150 M171L41-L43 HydrophobicContact CD1-CD2 4.44Å; L41-L43 HydrophobicContact CD2-CD2 4.07Å; L41-L43 HydrophobicContact CG-CD2 3.9Å; L41-L43 HydrophobicContact CG-CG 4.26Å; L41-S62 WeakPolarHBondContact O-CA 3.11Å; L41-V63 PolarHBondContact N-O 2.84Å; L41-V63 PolarHBondContact O-N 3.04Å; L41-K149 HydrophobicContact CD1-CB 3.86Å; L41-F150 WeakPolarHBondContact CA-O 3.46Å; L41-F150 WeakPolarHBondContact CD1-O 3.45Å; L41-M171 HydrophobicContact CD1-SD 3.91Å; L41-M171 HydrophobicContact CD2-CE 3.62Å; L41-M171 HydrophobicContact CD2-SD 4.01Å
42I58.3Low43.4Very low2 Ų265.6 Ų65.61%0.0137%0.373CS..EExtended strand (participates in β ladder)trans-96.4130.7178.8-63.1175.5000109.3M25 I60 Q61 L127 W128 L131 K149 F150 I152M25-I42 HydrophobicContact CE-CD1 4.32Å; I42-I60 HydrophobicContact CG2-CG2 3.78Å; I42-Q61 CarbonylContact C-O 3.46Å; I42-Q61 WeakPolarHBondContact CA-O 3.33Å; I42-L127 HydrophobicContact CD1-CD2 4.3Å; I42-W128 HydrophobicContact CG2-CH2 4.31Å; I42-W128 HydrophobicContact CG2-CZ2 4.05Å; I42-L131 HydrophobicContact CD1-CD1 3.94Å; I42-L131 HydrophobicContact CD1-CD2 4.4Å; I42-L131 HydrophobicContact CG2-CD1 4.18Å; I42-K149 VanDerWaalsContact O-CA 3.28Å; I42-K149 WeakPolarHBondContact O-CA 3.43Å; I42-F150 PolarHBondContact N-O 2.88Å; I42-F150 VanDerWaalsContact N-O 3.09Å; I42-F150 PolarHBondContact O-N 3.22Å; I42-I152 HydrophobicContact CD1-CD1 4.5Å; I42-I152 HydrophobicContact CD1-CG1 4.29Å
43L52.5Low43.4Very low2 Ų261.2 Ų61.21%0.0135%0.353CS..EExtended strand (participates in β ladder)trans-131152.8-174.1-51.1164.7000112.1L41 I60 Q61 V63 K78 K149L41-L43 HydrophobicContact CD1-CD2 4.44Å; L41-L43 HydrophobicContact CD2-CD2 4.07Å; L41-L43 HydrophobicContact CG-CD2 3.9Å; L41-L43 HydrophobicContact CG-CG 4.26Å; L43-I60 CarbonylContact O-C 3.04Å; L43-I60 VanDerWaalsContact O-CA 3.28Å; L43-I60 WeakPolarHBondContact O-CA 3.39Å; L43-Q61 HydrophobicContact CB-CB 4.14Å; L43-Q61 HydrophobicContact CD1-CB 4.35Å; L43-Q61 PolarHBondContact N-O 2.85Å; L43-Q61 PolarHBondContact O-N 2.72Å; L43-V63 HydrophobicContact CD1-CG2 4.36Å; L43-K78 HydrophobicContact CD1-CD 3.49Å; L43-K78 VanDerWaalsContact CD1-CD 3.49Å; L43-K149 HydrophobicContact CD2-CB 3.52Å; L43-K149 HydrophobicContact CD2-CD 3.66Å; L43-K149 HydrophobicContact CD2-CG 3.34Å
44V51.9Low43.6Very low1 Ų164.2 Ų64.21%0.00636%0.358CS..EExtended strand (participates in β ladder)trans-114.1117.6-174.6178.90000109.7A58 V59 W128 F147V44-A58 HydrophobicContact CB-CB 4.26Å; V44-A58 HydrophobicContact CG1-CB 3.24Å; V44-V59 WeakPolarHBondContact CA-O 3.01Å; V44-W128 HydrophobicContact CB-CH2 4.48Å; V44-W128 HydrophobicContact CG2-CH2 2.98Å; V44-W128 HydrophobicContact CG2-CZ2 3.36Å; V44-W128 HydrophobicContact CG2-CZ3 3.83Å; V44-F147 WeakPolarHBondContact O-CA 3.21Å; V44-F147 PolarHBondContact O-N 2.93Å
45G47.2Very low44.3Very low6 Ų659.2 Ų59.26%0.06232%0.323CS..EExtended strand (participates in β ladder)trans-98.8161.7165.600000112.5A58 V59G45-A58 VanDerWaalsContact O-CA 3.27Å; G45-A58 WeakPolarHBondContact O-CA 3.03Å; G45-A58 WeakPolarHBondContact O-CB 3.22Å; G45-V59 PolarHBondContact N-O 3.3Å; G45-V59 PolarHBondContact O-N 2.73Å; G45-V59 VanDerWaalsContact O-N 3.13Å
46D51.1Low45.1Very low29 Ų2960.7 Ų60.716%0.15532%0.323CS..  trans-92164.1-159.6-163.213.3000116.3N146D46-N146 HydrophobicContact CB-CB 4.31Å; D46-N146 VanDerWaalsContact CB-ND2 3.31Å; D46-N146 WeakPolarHBondContact CB-ND2 3.4Å; D46-N146 PolarHBondContact OD1-ND2 3.33Å; D46-N146 PolarHBondContact OD2-ND2 3.41Å
47E42.1Very low45.9Very low72 Ų7258 Ų5834%0.33631%0.313SS..  trans-114.3105.9141-76-165.7143.400108.7S49 N57 K116E47-S49 PolarHBondContact O-N 2.87Å; E47-N57 HydrophobicContact CG-CB 4.27Å; E47-N57 WeakPolarHBondContact OE2-CB 3.08Å; E47-N57 PolarHBondContact OE2-ND2 2.81Å; E47-K116 HydrophobicContact CG-CD 4.17Å; E47-K116 IonicContact OE1-NZ 2.78Å; E47-K116 PolarHBondContact OE1-NZ 3.1Å
48C35.4Very low46.6Very low88 Ų8855.5 Ų55.560%0.59530%0.301SS*.  trans-64.9100.3-179.3-157.80000110.1
49S34.6Very low46.8Very low60 Ų6055.1 Ų55.142%0.4230%0.299SS..  trans-115.4138.7171.961.50000110.8E47 L51 T53E47-S49 PolarHBondContact O-N 2.87Å; S49-L51 PolarHBondContact O-N 2.85Å; S49-T53 PolarHBondContact OG-OG1 3.25Å; S49-T53 VanDerWaalsContact OG-OG1 3.07Å
50S33.9Very low47.2Very low105 Ų10555.2 Ų55.273%0.73430%0.299SS*.  trans-52.1118.1-171.150.60000113.9L52S50-L52 VanDerWaalsContact C-N 3.25Å; S50-L52 PolarHBondContact O-N 3.06Å
51L33Very low47.8Very low176 Ų17656 Ų5692%0.92130%0.303SS*.SBendtrans39.1-1.6152.4-83.4166.5000122.9S49S49-L51 PolarHBondContact O-N 2.85Å
52L37.2Very low48Very low166 Ų16656.1 Ų56.187%0.86930%0.303SS*.SBendtrans-1514.3-179.1-99.9144.2000115.9S50S50-L52 VanDerWaalsContact C-N 3.25Å; S50-L52 PolarHBondContact O-N 3.06Å
53T38.1Very low48.1Very low87 Ų8756.3 Ų56.353%0.53430%0.304SS..  trans-117.7125.1177.546.20000112.1S49S49-T53 PolarHBondContact OG-OG1 3.25Å; S49-T53 VanDerWaalsContact OG-OG1 3.07Å
54W44.3Very low48.2Very low158 Ų15858.1 Ų58.160%0.59832%0.316SS*.  trans-64.7141.7175.1-58.788.6000110.3Q56 F142 K144W54-Q56 PolarHBondContact O-N 3.18Å; W54-Q56 VanDerWaalsContact O-N 3.14Å; W54-F142 HydrophobicContact CB-CE1 4.02Å; W54-F142 HydrophobicContact CB-CZ 3.96Å; W54-F142 HydrophobicContact CD2-CE1 4.06Å; W54-F142 AromaticContact CE3-CE1 3.89Å; W54-F142 HydrophobicContact CE3-CE1 3.89Å; W54-F142 HydrophobicContact CG-CE1 4.14Å; W54-F142 HydrophobicContact CG-CZ 4.26Å; W54-K144 HydrophobicContact CZ3-CB 3.95Å; W54-K144 HydrophobicContact CZ3-CG 4.26Å; W54-K144 WeakPolarHBondContact CZ3-O 3.43Å
55P48.8Very low48.6Very low9 Ų958 Ų586%0.05832%0.315CS..  trans-61.3121.7-178.522.9-30.9000110N120P55-N120 PolarHBondContact O-ND2 3.14Å
56Q53Low49Very low138 Ų13860.4 Ų60.465%0.64533%0.327SS*.  trans-86.4-50.1170.1-71-170.3-17.900108.8W54 D118 V119W54-Q56 PolarHBondContact O-N 3.18Å; W54-Q56 VanDerWaalsContact O-N 3.14Å; Q56-D118 VanDerWaalsContact C-OD1 3.27Å; Q56-D118 WeakPolarHBondContact CB-OD1 3.29Å; Q56-D118 CarbonylContact O-C 3.53Å; Q56-D118 WeakPolarHBondContact O-CA 2.93Å; Q56-V119 PolarHBondContact O-N 2.88Å
57N54.3Low49.1Very low48 Ų4861.6 Ų61.626%0.25734%0.337SS..EExtended strand (participates in β ladder)trans-96.4140.5-179-61.2-42.5000113.8E47 V117 D118E47-N57 HydrophobicContact CG-CB 4.27Å; E47-N57 WeakPolarHBondContact OE2-CB 3.08Å; E47-N57 PolarHBondContact OE2-ND2 2.81Å; N57-V117 CarbonylContact C-O 3.6Å; N57-V117 WeakPolarHBondContact CA-O 3.49Å; N57-D118 PolarHBondContact OD1-OD1 2.76Å; N57-D118 VanDerWaalsContact OD1-OD1 3.06Å
58A59.1Low49.4Very low0 Ų060.7 Ų60.70%033%0.331CS..EExtended strand (participates in β ladder)trans-142.7144.9172.200000114.1V44 G45 K116 V117 V119V44-A58 HydrophobicContact CB-CB 4.26Å; V44-A58 HydrophobicContact CG1-CB 3.24Å; G45-A58 VanDerWaalsContact O-CA 3.27Å; G45-A58 WeakPolarHBondContact O-CA 3.03Å; G45-A58 WeakPolarHBondContact O-CB 3.22Å; A58-K116 CarbonylContact O-C 3.55Å; A58-K116 WeakPolarHBondContact O-CA 2.99Å; A58-V117 PolarHBondContact N-O 3.26Å; A58-V117 PolarHBondContact O-N 3.11Å; A58-V119 HydrophobicContact CB-CG1 3.54Å
59V54.6Low50Low1 Ų160.5 Ų60.51%0.00633%0.331CS..EExtended strand (participates in β ladder)trans-78.1121.8167.7169.40000109.2V44 G45 Q61 I99 Y114 K116V44-V59 WeakPolarHBondContact CA-O 3.01Å; G45-V59 PolarHBondContact N-O 3.3Å; G45-V59 PolarHBondContact O-N 2.73Å; G45-V59 VanDerWaalsContact O-N 3.13Å; V59-Q61 HydrophobicContact CG1-CG 4.29Å; V59-I99 HydrophobicContact CG2-CD1 3.73Å; V59-Y114 WeakPolarHBondContact CG1-O 3.4Å; V59-K116 HydrophobicContact CG2-CG 3.57Å
60I55.7Low50.9Low2 Ų259.2 Ų59.21%0.0132%0.321CS..EExtended strand (participates in β ladder)trans-77.6134.7170.4-62.9163.3000109.1V15 I42 L43 Y114 V117 L127 W128V15-I60 HydrophobicContact CG1-CD1 4.42Å; I42-I60 HydrophobicContact CG2-CG2 3.78Å; L43-I60 CarbonylContact O-C 3.04Å; L43-I60 VanDerWaalsContact O-CA 3.28Å; L43-I60 WeakPolarHBondContact O-CA 3.39Å; I60-Y114 HydrophobicContact CB-CD2 4.2Å; I60-Y114 HydrophobicContact CB-CG 4.2Å; I60-Y114 HydrophobicContact CG2-CD2 3.84Å; I60-Y114 HydrophobicContact CG2-CG 4.25Å; I60-Y114 WeakPolarHBondContact O-CB 3.48Å; I60-Y114 WeakPolarHBondContact O-CD2 3.48Å; I60-Y114 PolarHBondContact O-N 2.84Å; I60-V117 HydrophobicContact CD1-CG2 3.79Å; I60-V117 HydrophobicContact CG1-CG2 4.08Å; I60-L127 HydrophobicContact CD1-CD2 4.31Å; I60-W128 HydrophobicContact CG1-CZ2 4.01Å
61Q64Low52Low25 Ų2554.2 Ų54.212%0.11729%0.286CS..EExtended strand (participates in β ladder)trans-121.8130.1165-51172.1-21.100108.1I42 L43 V59 F111I42-Q61 CarbonylContact C-O 3.46Å; I42-Q61 WeakPolarHBondContact CA-O 3.33Å; L43-Q61 HydrophobicContact CB-CB 4.14Å; L43-Q61 HydrophobicContact CD1-CB 4.35Å; L43-Q61 PolarHBondContact N-O 2.85Å; L43-Q61 PolarHBondContact O-N 2.72Å; V59-Q61 HydrophobicContact CG1-CG 4.29Å; Q61-F111 HydrophobicContact CB-CD2 4.23Å; Q61-F111 HydrophobicContact CB-CE2 3.88Å; Q61-F111 HydrophobicContact CG-CE2 4.02Å
62S59.8Low52.8Low3 Ų346.4 Ų46.42%0.02125%0.246CC..EExtended strand (participates in β ladder)trans-111132.1175.978.70000109.6Y28 L41 D112 Y114Y28-S62 PolarHBondContact OH-OG 3.43Å; L41-S62 WeakPolarHBondContact O-CA 3.11Å; S62-D112 PolarHBondContact N-O 2.82Å; S62-D112 VanDerWaalsContact N-O 3.16Å; S62-Y114 WeakPolarHBondContact OG-CE2 3.48Å
63V59.2Low53.5Low6 Ų642.6 Ų42.64%0.03623%0.23CC..EExtended strand (participates in β ladder)trans-122.9127.8171.8-166.30000110.3S40 L41 L43 M65 V74 F111S40-V63 CarbonylContact C-O 3.5Å; S40-V63 VanDerWaalsContact CA-O 3.31Å; S40-V63 WeakPolarHBondContact CA-O 3.2Å; L41-V63 PolarHBondContact N-O 2.84Å; L41-V63 PolarHBondContact O-N 3.04Å; L43-V63 HydrophobicContact CD1-CG2 4.36Å; V63-M65 HydrophobicContact CG1-CG 4.46Å; V63-V74 HydrophobicContact CB-CG1 3.96Å; V63-V74 HydrophobicContact CG1-CB 3.91Å; V63-V74 HydrophobicContact CG1-CG1 3.34Å; V63-V74 HydrophobicContact CG1-CG2 3.28Å; V63-V74 HydrophobicContact CG2-CG1 4.22Å; V63-F111 HydrophobicContact CG2-CB 4.02Å; V63-F111 HydrophobicContact CG2-CD1 4.09Å; V63-F111 HydrophobicContact CG2-CD2 4.43Å; V63-F111 HydrophobicContact CG2-CG 3.94Å
64T55.3Low54.3Low40 Ų4039.5 Ų39.525%0.24521%0.211CC..EExtended strand (participates in β ladder)trans-106.2126.2-177.1-80.70000109.3Y28 Q38 S40 N66Y28-T64 WeakPolarHBondContact CD1-OG1 3.44Å; Q38-T64 HydrophobicContact CG-CG2 3.76Å; Q38-T64 PolarHBondContact NE2-OG1 3.21Å; S40-T64 PolarHBondContact OG-OG1 2.92Å; T64-N66 WeakPolarHBondContact CG2-OD1 3.47Å
65M60Low54.7Low0 Ų032.2 Ų32.20%018%0.184CC..EExtended strand (participates in β ladder)trans-124.2107.1-167.7-49.2171.884.800108.2M37 Q38 V39 V63 Y71 V74 I175M37-M65 VanDerWaalsContact O-O 3.04Å; Q38-M65 CarbonylContact C-O 3.5Å; Q38-M65 VanDerWaalsContact CA-O 3.26Å; Q38-M65 WeakPolarHBondContact CA-O 3.3Å; V39-M65 HydrophobicContact CB-CB 4.33Å; V39-M65 PolarHBondContact N-O 2.93Å; V39-M65 WeakPolarHBondContact O-CB 3.46Å; V39-M65 PolarHBondContact O-N 3.05Å; V63-M65 HydrophobicContact CG1-CG 4.46Å; M65-Y71 HydrophobicContact CE-CD2 3.16Å; M65-Y71 HydrophobicContact CE-CE2 4.07Å; M65-Y71 HydrophobicContact CE-CG 3.72Å; M65-Y71 HydrophobicContact SD-CD2 4.46Å; M65-V74 HydrophobicContact CE-CB 4.05Å; M65-V74 HydrophobicContact CE-CG1 3.99Å; M65-I175 HydrophobicContact CE-CD1 4.22Å; M65-I175 HydrophobicContact SD-CD1 4.08Å; M65-I175 HydrophobicContact SD-CG2 4.46Å
66N55.8Low54.8Low56 Ų5634.2 Ų34.230%0.29919%0.19SC..  trans-104-4.2-167.7-55.4-0.5000112.7F36 M37 T64 S70F36-N66 HydrophobicContact CD1-CB 4.41Å; M37-N66 CarbonylContact O-C 3.48Å; M37-N66 WeakPolarHBondContact O-CA 3.44Å; T64-N66 WeakPolarHBondContact CG2-OD1 3.47Å; N66-S70 PolarHBondContact N-OG 2.96Å
67S53.6Low54.6Low54 Ų5429.4 Ų29.438%0.37817%0.174SC..SBendtrans-162.1159.8-177.967.40000110.6S69 S70 Y71S67-S69 PolarHBondContact O-N 2.98Å; S67-S70 PolarHBondContact N-OG 3.15Å; S67-S70 PolarHBondContact O-N 2.81Å; S67-S70 PolarHBondContact O-OG 3.22Å; S67-S70 PolarHBondContact OG-N 2.99Å; S67-S70 PolarHBondContact OG-OG 3.3Å; S67-Y71 PolarHBondContact O-N 3.06Å
68Y48.3Very low54.6Low53 Ų5327.5 Ų27.521%0.20816%0.163CC..Hα-helixtrans-60.6-32.3172.5-173.2-99000112.6Y71 T72 E172 V176 L330 F333Y68-Y71 HydrophobicContact CD2-CD1 4.14Å; Y68-Y71 AromaticContact CE2-CD1 3.86Å; Y68-Y71 HydrophobicContact CE2-CD1 3.86Å; Y68-Y71 HydrophobicContact CE2-CE1 4.2Å; Y68-Y71 VanDerWaalsContact O-CB 3.28Å; Y68-Y71 WeakPolarHBondContact O-CB 3.27Å; Y68-Y71 PolarHBondContact O-N 3.21Å; Y68-Y71 VanDerWaalsContact O-N 3.17Å; Y68-T72 HydrophobicContact CD1-CG2 4.4Å; Y68-T72 HydrophobicContact CE1-CG2 3.93Å; Y68-T72 PolarHBondContact O-N 3.01Å; Y68-E172 HydrophobicContact CE2-CG 4.45Å; Y68-E172 PolarHBondContact OH-OE1 2.85Å; Y68-V176 HydrophobicContact CD2-CG2 3.66Å; Y68-V176 HydrophobicContact CE2-CG2 3.55Å; Y68-L330 VanDerWaalsContact CZ-O 3.31Å; Y68-L330 PolarHBondContact OH-O 2.83Å; Y68-F333 WeakPolarHBondContact OH-CE1 3.02Å
69S48.5Very low54.1Low84 Ų8428 Ų2859%0.58717%0.166SC*.Hα-helixtrans-62.4-49174.1-179.30000111.6S67 Y71 T72 T73S67-S69 PolarHBondContact O-N 2.98Å; S69-Y71 PolarHBondContact O-N 3.15Å; S69-T72 PolarHBondContact O-N 2.7Å; S69-T72 PolarHBondContact O-OG1 2.69Å; S69-T73 PolarHBondContact O-N 2.8Å; S69-T73 PolarHBondContact O-OG1 2.86Å
70S52.8Low53.8Low32 Ų3228.6 Ų28.622%0.22417%0.17CC..Hα-helixtrans-60.6-30.7173.852.90000112.4N66 S67 T73 V74N66-S70 PolarHBondContact N-OG 2.96Å; S67-S70 PolarHBondContact N-OG 3.15Å; S67-S70 PolarHBondContact O-N 2.81Å; S67-S70 PolarHBondContact O-OG 3.22Å; S67-S70 PolarHBondContact OG-N 2.99Å; S67-S70 PolarHBondContact OG-OG 3.3Å; S70-T73 PolarHBondContact O-N 3.39Å; S70-V74 VanDerWaalsContact O-CG2 3.24Å; S70-V74 WeakPolarHBondContact O-CG2 3.42Å; S70-V74 PolarHBondContact O-N 3.19Å; S70-V74 VanDerWaalsContact O-N 3.16Å
71Y56.5Low53.4Low0 Ų029.6 Ų29.60%018%0.175CC..Hα-helixtrans-59.7-50.9174161.9-87.8000112.4M65 S67 Y68 S69 T73 V74 I75 E172 I175M65-Y71 HydrophobicContact CE-CD2 3.16Å; M65-Y71 HydrophobicContact CE-CE2 4.07Å; M65-Y71 HydrophobicContact CE-CG 3.72Å; M65-Y71 HydrophobicContact SD-CD2 4.46Å; S67-Y71 PolarHBondContact O-N 3.06Å; Y68-Y71 HydrophobicContact CD2-CD1 4.14Å; Y68-Y71 AromaticContact CE2-CD1 3.86Å; Y68-Y71 HydrophobicContact CE2-CD1 3.86Å; Y68-Y71 HydrophobicContact CE2-CE1 4.2Å; Y68-Y71 VanDerWaalsContact O-CB 3.28Å; Y68-Y71 WeakPolarHBondContact O-CB 3.27Å; Y68-Y71 PolarHBondContact O-N 3.21Å; Y68-Y71 VanDerWaalsContact O-N 3.17Å; S69-Y71 PolarHBondContact O-N 3.15Å; Y71-T73 VanDerWaalsContact C-N 3.28Å; Y71-T73 PolarHBondContact O-N 3.46Å; Y71-V74 PolarHBondContact O-N 2.88Å; Y71-I75 HydrophobicContact CD1-CG1 4.38Å; Y71-I75 HydrophobicContact CD2-CD1 4.4Å; Y71-I75 HydrophobicContact CD2-CG1 3.98Å; Y71-I75 HydrophobicContact CE1-CG1 3.92Å; Y71-I75 HydrophobicContact CE2-CD1 3.55Å; Y71-I75 HydrophobicContact CE2-CG1 3.42Å; Y71-I75 VanDerWaalsContact CE2-CG1 3.42Å; Y71-I75 HydrophobicContact CG-CG1 4.37Å; Y71-I75 VanDerWaalsContact O-CG1 3.32Å; Y71-I75 WeakPolarHBondContact O-CG1 3.43Å; Y71-I75 PolarHBondContact O-N 3.39Å; Y71-I75 WeakPolarHBondContact OH-CD1 3.42Å; Y71-I75 WeakPolarHBondContact OH-CG1 3.32Å; Y71-E172 HydrophobicContact CE1-CB 4.28Å; Y71-E172 HydrophobicContact CE1-CG 3.53Å; Y71-E172 HydrophobicContact CE2-CB 4.34Å; Y71-E172 HydrophobicContact CE2-CG 4.3Å; Y71-E172 VanDerWaalsContact CZ-CG 3.42Å; Y71-E172 WeakPolarHBondContact OH-CA 3.42Å; Y71-E172 WeakPolarHBondContact OH-CB 3.5Å; Y71-E172 VanDerWaalsContact OH-CG 3.24Å; Y71-E172 WeakPolarHBondContact OH-CG 3.42Å; Y71-I175 HydrophobicContact CD2-CB 4.09Å; Y71-I175 HydrophobicContact CD2-CD1 3.72Å; Y71-I175 HydrophobicContact CD2-CG1 4.47Å; Y71-I175 HydrophobicContact CD2-CG2 3.68Å; Y71-I175 HydrophobicContact CE2-CB 4.28Å; Y71-I175 HydrophobicContact CE2-CD1 3.53Å; Y71-I175 HydrophobicContact CE2-CG1 4.49Å; Y71-I175 HydrophobicContact CE2-CG2 4.37Å; Y71-I175 HydrophobicContact CG-CG2 4.41Å
72T50.1Low52.7Low13 Ų1329.4 Ų29.48%0.0818%0.175CC..Hα-helixtrans-63.5-35.1-177.366.30000112.8Y68 S69 R76 F333Y68-T72 HydrophobicContact CD1-CG2 4.4Å; Y68-T72 HydrophobicContact CE1-CG2 3.93Å; Y68-T72 PolarHBondContact O-N 3.01Å; S69-T72 PolarHBondContact O-N 2.7Å; S69-T72 PolarHBondContact O-OG1 2.69Å; T72-R76 WeakPolarHBondContact O-CB 3.45Å; T72-R76 WeakPolarHBondContact O-CG 3.32Å; T72-R76 PolarHBondContact O-N 3.33Å; T72-R76 VanDerWaalsContact O-N 3.08Å; T72-F333 HydrophobicContact CG2-CD1 3.78Å; T72-F333 HydrophobicContact CG2-CD2 4.23Å; T72-F333 HydrophobicContact CG2-CE1 3.57Å; T72-F333 HydrophobicContact CG2-CE2 4.03Å; T72-F333 HydrophobicContact CG2-CG 4.11Å; T72-F333 HydrophobicContact CG2-CZ 3.71Å
73T52.1Low52Low85 Ų8531.6 Ų31.652%0.52119%0.187SC..Hα-helixtrans-66-44.2176.8-580000111.7S69 S70 Y71 R76 A77S69-T73 PolarHBondContact O-N 2.8Å; S69-T73 PolarHBondContact O-OG1 2.86Å; S70-T73 PolarHBondContact O-N 3.39Å; Y71-T73 VanDerWaalsContact C-N 3.28Å; Y71-T73 PolarHBondContact O-N 3.46Å; T73-R76 PolarHBondContact O-N 3.39Å; T73-A77 PolarHBondContact O-N 3.05Å
74V54.1Low51.1Low22 Ų2232.4 Ų32.413%0.13319%0.194CC..Hα-helixtrans-66.7-44.6180164.20000111.7V63 M65 S70 Y71 R76 A77 K78V63-V74 HydrophobicContact CB-CG1 3.96Å; V63-V74 HydrophobicContact CG1-CB 3.91Å; V63-V74 HydrophobicContact CG1-CG1 3.34Å; V63-V74 HydrophobicContact CG1-CG2 3.28Å; V63-V74 HydrophobicContact CG2-CG1 4.22Å; M65-V74 HydrophobicContact CE-CB 4.05Å; M65-V74 HydrophobicContact CE-CG1 3.99Å; S70-V74 VanDerWaalsContact O-CG2 3.24Å; S70-V74 WeakPolarHBondContact O-CG2 3.42Å; S70-V74 PolarHBondContact O-N 3.19Å; S70-V74 VanDerWaalsContact O-N 3.16Å; Y71-V74 PolarHBondContact O-N 2.88Å; V74-R76 VanDerWaalsContact C-N 3.32Å; V74-R76 PolarHBondContact O-N 3.07Å; V74-A77 PolarHBondContact O-N 2.78Å; V74-K78 WeakPolarHBondContact O-CB 3.42Å; V74-K78 PolarHBondContact O-N 3.41Å
75I52.6Low50.6Low6 Ų633 Ų333%0.03120%0.203CC..Hα-helixtrans-59.4-45.9175.6-65.6-75.2000110.1Y71 K78 V79 P168 M171Y71-I75 HydrophobicContact CD1-CG1 4.38Å; Y71-I75 HydrophobicContact CD2-CD1 4.4Å; Y71-I75 HydrophobicContact CD2-CG1 3.98Å; Y71-I75 HydrophobicContact CE1-CG1 3.92Å; Y71-I75 HydrophobicContact CE2-CD1 3.55Å; Y71-I75 HydrophobicContact CE2-CG1 3.42Å; Y71-I75 VanDerWaalsContact CE2-CG1 3.42Å; Y71-I75 HydrophobicContact CG-CG1 4.37Å; Y71-I75 VanDerWaalsContact O-CG1 3.32Å; Y71-I75 WeakPolarHBondContact O-CG1 3.43Å; Y71-I75 PolarHBondContact O-N 3.39Å; Y71-I75 WeakPolarHBondContact OH-CD1 3.42Å; Y71-I75 WeakPolarHBondContact OH-CG1 3.32Å; I75-K78 PolarHBondContact O-N 2.85Å; I75-V79 HydrophobicContact CG2-CG2 4.01Å; I75-V79 WeakPolarHBondContact O-CB 3.49Å; I75-V79 VanDerWaalsContact O-CG2 3.25Å; I75-V79 WeakPolarHBondContact O-CG2 3.42Å; I75-V79 PolarHBondContact O-N 2.92Å; I75-P168 HydrophobicContact CD1-CB 3.41Å; I75-P168 VanDerWaalsContact CD1-CB 3.41Å; I75-P168 WeakPolarHBondContact CD1-O 3.33Å; I75-P168 HydrophobicContact CG2-CB 4.23Å; I75-M171 HydrophobicContact CD1-CE 4.1Å
76R51.8Low49.7Very low51 Ų5140.6 Ų40.619%0.19224%0.236CC..Hα-helixtrans-61.1-48.4178.2-77.1-175.1-147.7155.613.8112.6T72 T73 V74 K78 S80 N311T72-R76 WeakPolarHBondContact O-CB 3.45Å; T72-R76 WeakPolarHBondContact O-CG 3.32Å; T72-R76 PolarHBondContact O-N 3.33Å; T72-R76 VanDerWaalsContact O-N 3.08Å; T73-R76 PolarHBondContact O-N 3.39Å; V74-R76 VanDerWaalsContact C-N 3.32Å; V74-R76 PolarHBondContact O-N 3.07Å; R76-K78 PolarHBondContact O-N 3.49Å; R76-S80 PolarHBondContact O-N 3.12Å; R76-S80 PolarHBondContact O-OG 3.16Å; R76-N311 PolarHBondContact NH2-ND2 2.79Å
77A49.5Very low48.7Very low36 Ų3643.7 Ų43.730%0.29826%0.257SS..Hα-helixtrans-60-37.8178.800000111.5T73 V74 S80 L81T73-A77 PolarHBondContact O-N 3.05Å; V74-A77 PolarHBondContact O-N 2.78Å; A77-S80 VanDerWaalsContact O-CB 3.31Å; A77-S80 WeakPolarHBondContact O-CB 3.39Å; A77-S80 PolarHBondContact O-N 3.37Å; A77-L81 PolarHBondContact O-N 3.2Å; A77-L81 VanDerWaalsContact O-N 3.15Å
78K52.7Low47.7Very low8 Ų843.7 Ų43.74%0.03526%0.256CS..Hα-helixtrans-84.5-36.4-173.9-173171157.8-166.70114.9L43 V74 I75 R76 S80 L81 I82L43-K78 HydrophobicContact CD1-CD 3.49Å; L43-K78 VanDerWaalsContact CD1-CD 3.49Å; V74-K78 WeakPolarHBondContact O-CB 3.42Å; V74-K78 PolarHBondContact O-N 3.41Å; I75-K78 PolarHBondContact O-N 2.85Å; R76-K78 PolarHBondContact O-N 3.49Å; K78-S80 PolarHBondContact O-N 2.82Å; K78-L81 PolarHBondContact O-N 3.22Å; K78-I82 HydrophobicContact CG-CD1 4.2Å; K78-I82 WeakPolarHBondContact O-CG1 3.16Å; K78-I82 PolarHBondContact O-N 3.03Å
79V50.1Low47.2Very low11 Ų1148.4 Ų48.47%0.06729%0.29CS..Hα-helixtrans-59.9-33.8168.7175.70000109.2I75 N83 P168 W336I75-V79 HydrophobicContact CG2-CG2 4.01Å; I75-V79 WeakPolarHBondContact O-CB 3.49Å; I75-V79 VanDerWaalsContact O-CG2 3.25Å; I75-V79 WeakPolarHBondContact O-CG2 3.42Å; I75-V79 PolarHBondContact O-N 2.92Å; V79-N83 WeakPolarHBondContact CG1-ND2 3.49Å; V79-N83 VanDerWaalsContact O-CB 3.28Å; V79-N83 WeakPolarHBondContact O-CB 3.37Å; V79-N83 VanDerWaalsContact O-CG 3.25Å; V79-N83 PolarHBondContact O-N 2.95Å; V79-N83 PolarHBondContact O-ND2 3.13Å; V79-P168 HydrophobicContact CG2-CB 4.14Å; V79-P168 HydrophobicContact CG2-CG 3.86Å; V79-W336 HydrophobicContact CB-CE3 4.01Å; V79-W336 HydrophobicContact CB-CH2 3.85Å; V79-W336 HydrophobicContact CB-CZ2 4.45Å; V79-W336 HydrophobicContact CB-CZ3 3.59Å; V79-W336 HydrophobicContact CG1-CD2 3.74Å; V79-W336 HydrophobicContact CG1-CE3 3.6Å; V79-W336 HydrophobicContact CG1-CH2 3.48Å; V79-W336 VanDerWaalsContact CG1-CH2 3.48Å; V79-W336 HydrophobicContact CG1-CZ2 3.59Å; V79-W336 HydrophobicContact CG1-CZ3 3.48Å; V79-W336 VanDerWaalsContact CG1-CZ3 3.48Å
80S46.8Very low46.7Very low13 Ų1350.3 Ų50.39%0.09129%0.293CS..Hα-helixtrans-63.9-47.3173-48.90000112.5R76 A77 K78 A84 G280 W336R76-S80 PolarHBondContact O-N 3.12Å; R76-S80 PolarHBondContact O-OG 3.16Å; A77-S80 VanDerWaalsContact O-CB 3.31Å; A77-S80 WeakPolarHBondContact O-CB 3.39Å; A77-S80 PolarHBondContact O-N 3.37Å; K78-S80 PolarHBondContact O-N 2.82Å; S80-A84 WeakPolarHBondContact O-CB 3.44Å; S80-A84 PolarHBondContact O-N 2.91Å; S80-G280 WeakPolarHBondContact OG-CA 2.86Å; S80-G280 PolarHBondContact OG-N 3.37Å; S80-W336 WeakPolarHBondContact OG-CH2 3.29Å
81L48.9Very low46.1Very low23 Ų2355.4 Ų55.412%0.1231%0.314CS..Hα-helixtrans-61.3-48175.9-87.3149.7000112.9A77 K78 N83 A84 A85 Y107 V109 F111A77-L81 PolarHBondContact O-N 3.2Å; A77-L81 VanDerWaalsContact O-N 3.15Å; K78-L81 PolarHBondContact O-N 3.22Å; L81-N83 PolarHBondContact O-N 3.21Å; L81-A84 PolarHBondContact O-N 2.82Å; L81-A85 WeakPolarHBondContact O-CB 3.16Å; L81-A85 PolarHBondContact O-N 3.47Å; L81-Y107 HydrophobicContact CD2-CD2 3.41Å; L81-Y107 VanDerWaalsContact CD2-CD2 3.41Å; L81-Y107 HydrophobicContact CD2-CE2 3.72Å; L81-Y107 HydrophobicContact CD2-CG 3.93Å; L81-Y107 HydrophobicContact CG-CD1 4.35Å; L81-Y107 HydrophobicContact CG-CD2 3.95Å; L81-Y107 HydrophobicContact CG-CE2 4.43Å; L81-Y107 HydrophobicContact CG-CG 3.92Å; L81-V109 HydrophobicContact CD1-CG2 3.75Å; L81-F111 HydrophobicContact CD1-CE1 3.95Å; L81-F111 HydrophobicContact CD1-CZ 3.74Å
82I49.5Very low45.7Very low22 Ų2258.5 Ų58.511%0.11333%0.328CS..Hα-helixtrans-63.2-43.8-179.3-68.2169.7000110.7K78 A84 A85 K86 F147 P168K78-I82 HydrophobicContact CG-CD1 4.2Å; K78-I82 WeakPolarHBondContact O-CG1 3.16Å; K78-I82 PolarHBondContact O-N 3.03Å; I82-A84 VanDerWaalsContact C-N 3.32Å; I82-A84 PolarHBondContact O-N 2.82Å; I82-A85 PolarHBondContact O-N 2.82Å; I82-K86 WeakPolarHBondContact O-CG 3.39Å; I82-K86 PolarHBondContact O-N 3.25Å; I82-F147 HydrophobicContact CG1-CD1 4.09Å; I82-F147 HydrophobicContact CG1-CE1 4.24Å; I82-P168 HydrophobicContact CD1-CG 3.98Å
83N44.4Very low45.6Very low49 Ų4959.9 Ų59.926%0.26234%0.338SS..Hα-helixtrans-67.6-34.9179.6-75-25.5000111.9V79 L81 K86 V87 W336V79-N83 WeakPolarHBondContact CG1-ND2 3.49Å; V79-N83 VanDerWaalsContact O-CB 3.28Å; V79-N83 WeakPolarHBondContact O-CB 3.37Å; V79-N83 VanDerWaalsContact O-CG 3.25Å; V79-N83 PolarHBondContact O-N 2.95Å; V79-N83 PolarHBondContact O-ND2 3.13Å; L81-N83 PolarHBondContact O-N 3.21Å; N83-K86 WeakPolarHBondContact O-CB 2.83Å; N83-K86 PolarHBondContact O-N 3.33Å; N83-V87 WeakPolarHBondContact O-CG2 3.25Å; N83-V87 PolarHBondContact O-N 3.14Å; N83-W336 WeakPolarHBondContact ND2-CZ2 3.3Å
84A40.7Very low46.1Very low23 Ų2363.3 Ų63.319%0.1935%0.345CS..Hα-helixtrans-76.2-33.1178.700000113.3S80 L81 I82 K86 V87 C88 Y107S80-A84 WeakPolarHBondContact O-CB 3.44Å; S80-A84 PolarHBondContact O-N 2.91Å; L81-A84 PolarHBondContact O-N 2.82Å; I82-A84 VanDerWaalsContact C-N 3.32Å; I82-A84 PolarHBondContact O-N 2.82Å; A84-K86 PolarHBondContact O-N 2.81Å; A84-V87 PolarHBondContact O-N 3.34Å; A84-V87 VanDerWaalsContact O-N 3.17Å; A84-C88 PolarHBondContact O-N 2.84Å; A84-Y107 HydrophobicContact CB-CE1 3.6Å; A84-Y107 WeakPolarHBondContact CB-OH 3.32Å
85A43.2Very low46.9Very low53 Ų5365.2 Ų65.244%0.43836%0.359SS..Hα-helixtrans-62.6-30169.300000112.2L81 I82 F147L81-A85 WeakPolarHBondContact O-CB 3.16Å; L81-A85 PolarHBondContact O-N 3.47Å; I82-A85 PolarHBondContact O-N 2.82Å; A85-F147 HydrophobicContact CB-CZ 4.16Å
86K41.3Very low48.1Very low159 Ų15966.8 Ų66.869%0.69137%0.366SS*.Hα-helixtrans-73.3-26.7173.7-74.8178.9177.3-177.70114.2I82 N83 A84I82-K86 WeakPolarHBondContact O-CG 3.39Å; I82-K86 PolarHBondContact O-N 3.25Å; N83-K86 WeakPolarHBondContact O-CB 2.83Å; N83-K86 PolarHBondContact O-N 3.33Å; A84-K86 PolarHBondContact O-N 2.81Å
87V35.8Very low49.4Very low121 Ų12170.2 Ų70.273%0.73339%0.387SS*.Hα-helixtrans-88.4-22.3-175.8173.80000111.9N83 A84N83-V87 WeakPolarHBondContact O-CG2 3.25Å; N83-V87 PolarHBondContact O-N 3.14Å; A84-V87 PolarHBondContact O-N 3.34Å; A84-V87 VanDerWaalsContact O-N 3.17Å
88C31.7Very low50.6Low54 Ų5472.5 Ų72.537%0.36539%0.392SS..  trans-98.7115.1-176.8-64.40000111.8A84 L90A84-C88 PolarHBondContact O-N 2.84Å; C88-L90 HydrophobicContact CB-CB 3.9Å; C88-L90 HydrophobicContact CB-CD1 3.91Å; C88-L90 HydrophobicContact CB-CG 3.93Å; C88-L90 PolarHBondContact O-N 3.01Å
89T39Very low51.6Low151 Ų15172.7 Ų72.793%0.92639%0.393SS*.  trans-66.425.7154.748.70000112.3Q91T89-Q91 PolarHBondContact O-N 2.92Å
90L36.4Very low53Low124 Ų12475 Ų7565%0.64940%0.402SS*.  trans-87.3112.4-179.7-69.8170.3000107.6C88 E92C88-L90 HydrophobicContact CB-CB 3.9Å; C88-L90 HydrophobicContact CB-CD1 3.91Å; C88-L90 HydrophobicContact CB-CG 3.93Å; C88-L90 PolarHBondContact O-N 3.01Å; L90-E92 PolarHBondContact O-N 2.94Å; L90-E92 VanDerWaalsContact O-N 3.17Å
91Q40.7Very low54.5Low139 Ų13980 Ų8065%0.6542%0.422SS*.PPolyproline II helixtrans-46.3119.3161-164.9168.913.900107.7T89T89-Q91 PolarHBondContact O-N 2.92Å
92E48Very low55.5Low65 Ų6582.8 Ų82.830%0.30443%0.434SS..PPolyproline II helixtrans-52.7137.1179.3-95.4-166.1-168.200109.2L90 K94L90-E92 PolarHBondContact O-N 2.94Å; L90-E92 VanDerWaalsContact O-N 3.17Å; E92-K94 PolarHBondContact O-N 3.42Å
93P49.3Very low56.4Low43 Ų4382 Ų8228%0.27943%0.43SS..PPolyproline II helixtrans-67.9129.3179.637.2-39.6000107.5C95 E98P93-C95 VanDerWaalsContact C-N 3.29Å; P93-C95 PolarHBondContact O-N 2.84Å; P93-E98 WeakPolarHBondContact CA-OE2 3.49Å; P93-E98 HydrophobicContact CB-CB 3.33Å; P93-E98 HydrophobicContact CB-CG 3.97Å; P93-E98 VanDerWaalsContact CB-OE2 3.27Å; P93-E98 WeakPolarHBondContact CB-OE2 3.26Å; P93-E98 HydrophobicContact CG-CB 3.42Å; P93-E98 VanDerWaalsContact CG-CB 3.42Å
94K60.8Low57.8Low156 Ų15682.3 Ų82.368%0.67843%0.434SS*.SBendtrans-70.6-21.3-147.1-66-178.2180179.60113.6E92 E98 K116E92-K94 PolarHBondContact O-N 3.42Å; K94-E98 PolarHBondContact N-OE2 2.89Å; K94-K116 PolarHBondContact O-NZ 3.31Å
95C71.3Confident59.5Low62 Ų6286.5 Ų86.542%0.41945%0.45SS..SBendtrans-109.3154.3-178.675.20000113.5P93 L97 E98 I99P93-C95 VanDerWaalsContact C-N 3.29Å; P93-C95 PolarHBondContact O-N 2.84Å; C95-L97 PolarHBondContact O-N 3.43Å; C95-L97 VanDerWaalsContact O-N 3.12Å; C95-E98 PolarHBondContact N-OE2 2.9Å; C95-E98 PolarHBondContact O-N 2.94Å; C95-I99 PolarHBondContact O-N 3.28Å
96E77.4Confident60.4Low39 Ų3987.6 Ų87.618%0.18245%0.451CS..Hα-helixtrans-51.8-36.4-178.6-68.5-179.9173.400113.2I18 E98 I99 K100 S115 K116I18-E96 WeakPolarHBondContact CD1-O 3.45Å; I18-E96 HydrophobicContact CG1-CB 3.86Å; E96-E98 VanDerWaalsContact C-N 3.33Å; E96-E98 PolarHBondContact O-N 2.62Å; E96-I99 PolarHBondContact O-N 2.88Å; E96-K100 WeakPolarHBondContact O-CB 3.48Å; E96-K100 PolarHBondContact O-N 3.4Å; E96-S115 WeakPolarHBondContact OE1-CA 3.39Å; E96-S115 WeakPolarHBondContact OE1-CB 3.3Å; E96-S115 PolarHBondContact OE1-OG 3.38Å; E96-S115 PolarHBondContact OE2-OG 2.96Å; E96-K116 PolarHBondContact OE1-N 3.07Å
97L80.1Confident61.2Low123 Ų12382.4 Ų82.464%0.64443%0.428SS*.Hα-helixtrans-60.8-41.3176.7-176.365.7000112.4C95 K101C95-L97 PolarHBondContact O-N 3.43Å; C95-L97 VanDerWaalsContact O-N 3.12Å; L97-K101 WeakPolarHBondContact O-CB 3.32Å; L97-K101 PolarHBondContact O-N 2.87Å
98E75.3Confident62.8Low84 Ų8483.9 Ų83.939%0.39342%0.424SS..Hα-helixtrans-74.4-35.3-179.6-61.9172.3133.900111.6P93 K94 C95 E96 K101 F102P93-E98 WeakPolarHBondContact CA-OE2 3.49Å; P93-E98 HydrophobicContact CB-CB 3.33Å; P93-E98 HydrophobicContact CB-CG 3.97Å; P93-E98 VanDerWaalsContact CB-OE2 3.27Å; P93-E98 WeakPolarHBondContact CB-OE2 3.26Å; P93-E98 HydrophobicContact CG-CB 3.42Å; P93-E98 VanDerWaalsContact CG-CB 3.42Å; K94-E98 PolarHBondContact N-OE2 2.89Å; C95-E98 PolarHBondContact N-OE2 2.9Å; C95-E98 PolarHBondContact O-N 2.94Å; E96-E98 VanDerWaalsContact C-N 3.33Å; E96-E98 PolarHBondContact O-N 2.62Å; E98-K101 PolarHBondContact O-N 3.47Å; E98-F102 VanDerWaalsContact O-CB 3.3Å; E98-F102 WeakPolarHBondContact O-CB 3.04Å; E98-F102 PolarHBondContact O-N 3.28Å
99I73.1Confident64.2Low12 Ų1282 Ų826%0.06241%0.411CS..Hα-helixtrans-60.6-49.2172.1-63175.1000109.8I18 V59 C95 E96 K101 F102 A103I18-I99 HydrophobicContact CD1-CB 4.31Å; I18-I99 HydrophobicContact CD1-CG2 4.1Å; V59-I99 HydrophobicContact CG2-CD1 3.73Å; C95-I99 PolarHBondContact O-N 3.28Å; E96-I99 PolarHBondContact O-N 2.88Å; I99-K101 VanDerWaalsContact C-N 3.34Å; I99-K101 PolarHBondContact O-N 2.92Å; I99-F102 PolarHBondContact O-N 2.95Å; I99-A103 WeakPolarHBondContact O-CB 3.46Å; I99-A103 PolarHBondContact O-N 2.91Å
100K79.6Confident65.5Low60 Ų6081.6 Ų81.626%0.26141%0.408SS..Hα-helixtrans-57-48.1176-176.3-178.1-175.5171.40111.1I18 D19 E96 A103 T104 M113I18-K100 HydrophobicContact CD1-CB 3.85Å; I18-K100 HydrophobicContact CG1-CB 4.15Å; I18-K100 HydrophobicContact CG2-CB 4.26Å; I18-K100 HydrophobicContact CG2-CD 3.75Å; I18-K100 HydrophobicContact CG2-CG 4.1Å; D19-K100 IonicContact OD1-NZ 2.79Å; D19-K100 PolarHBondContact OD1-NZ 3.29Å; D19-K100 IonicContact OD2-NZ 2.7Å; D19-K100 PolarHBondContact OD2-NZ 2.51Å; E96-K100 WeakPolarHBondContact O-CB 3.48Å; E96-K100 PolarHBondContact O-N 3.4Å; K100-A103 PolarHBondContact O-N 3.35Å; K100-T104 VanDerWaalsContact O-CB 3.23Å; K100-T104 WeakPolarHBondContact O-CB 3.36Å; K100-T104 PolarHBondContact O-N 3.07Å; K100-T104 PolarHBondContact O-OG1 3.33Å; K100-M113 HydrophobicContact CB-CE 4.32Å; K100-M113 HydrophobicContact CG-CE 3.82Å
101K78.6Confident67.1Low117 Ų11777.1 Ų77.151%0.50938%0.384SS..Hα-helixtrans-60.6-50.4180-171.4-179.7-179.9-1770111.2L97 E98 I99 T104 E105L97-K101 WeakPolarHBondContact O-CB 3.32Å; L97-K101 PolarHBondContact O-N 2.87Å; E98-K101 PolarHBondContact O-N 3.47Å; I99-K101 VanDerWaalsContact C-N 3.34Å; I99-K101 PolarHBondContact O-N 2.92Å; K101-T104 PolarHBondContact O-N 3.08Å; K101-E105 WeakPolarHBondContact CE-OE1 3.38Å; K101-E105 WeakPolarHBondContact CE-OE2 3.47Å; K101-E105 VanDerWaalsContact CG-CD 3.4Å; K101-E105 HydrophobicContact CG-CG 4.09Å; K101-E105 WeakPolarHBondContact CG-OE1 3.46Å; K101-E105 VanDerWaalsContact O-CB 3.22Å; K101-E105 WeakPolarHBondContact O-CB 3.32Å; K101-E105 WeakPolarHBondContact O-CG 3.17Å; K101-E105 PolarHBondContact O-N 3.41Å
102F70.4Confident68.8Low83 Ų8373 Ų7336%0.36437%0.366SS..Hα-helixtrans-58.7-51.4178.2176.7-108.1000111.8E98 I99 T104 T106 Y107E98-F102 VanDerWaalsContact O-CB 3.3Å; E98-F102 WeakPolarHBondContact O-CB 3.04Å; E98-F102 PolarHBondContact O-N 3.28Å; I99-F102 PolarHBondContact O-N 2.95Å; F102-T104 VanDerWaalsContact C-N 3.34Å; F102-T104 PolarHBondContact O-N 3.04Å; F102-T106 HydrophobicContact CE2-CG2 4.3Å; F102-T106 WeakPolarHBondContact O-CB 3.29Å; F102-T106 PolarHBondContact O-N 2.69Å; F102-T106 PolarHBondContact O-OG1 2.93Å; F102-T106 VanDerWaalsContact O-OG1 3.1Å; F102-Y107 HydrophobicContact CD1-CE2 4.21Å; F102-Y107 AromaticContact CE1-CE2 3.59Å; F102-Y107 HydrophobicContact CE1-CE2 3.59Å; F102-Y107 HydrophobicContact CE2-CE2 4.4Å; F102-Y107 AromaticContact CZ-CE2 3.69Å; F102-Y107 HydrophobicContact CZ-CE2 3.69Å; F102-Y107 WeakPolarHBondContact CZ-OH 3.33Å
103A68.4Low70.3Confident4 Ų470.6 Ų70.63%0.03336%0.355CS..Hα-helixtrans-59.6-44.9179.900000112.3I99 K100 Y107 K108 V109 M113I99-A103 WeakPolarHBondContact O-CB 3.46Å; I99-A103 PolarHBondContact O-N 2.91Å; K100-A103 PolarHBondContact O-N 3.35Å; A103-Y107 WeakPolarHBondContact O-CB 3.49Å; A103-Y107 PolarHBondContact O-N 3.43Å; A103-Y107 VanDerWaalsContact O-N 3.16Å; A103-K108 PolarHBondContact O-N 3.05Å; A103-V109 HydrophobicContact CB-CB 4.41Å; A103-V109 HydrophobicContact CB-CG2 4.29Å; A103-V109 WeakPolarHBondContact O-CG2 3.04Å; A103-V109 PolarHBondContact O-N 3.33Å; A103-M113 HydrophobicContact CB-CE 4.33Å; A103-M113 HydrophobicContact CB-SD 3.68Å
104T73.2Confident72Confident56 Ų5668.7 Ų68.734%0.34434%0.342SS..Hα-helixtrans-75.2-43.2-176-49.10000112K100 K101 F102 K108K100-T104 VanDerWaalsContact O-CB 3.23Å; K100-T104 WeakPolarHBondContact O-CB 3.36Å; K100-T104 PolarHBondContact O-N 3.07Å; K100-T104 PolarHBondContact O-OG1 3.33Å; K101-T104 PolarHBondContact O-N 3.08Å; F102-T104 VanDerWaalsContact C-N 3.34Å; F102-T104 PolarHBondContact O-N 3.04Å; T104-K108 WeakPolarHBondContact O-CA 3.23Å; T104-K108 WeakPolarHBondContact O-CD 3.47Å; T104-K108 PolarHBondContact O-N 3.44Å; T104-K108 VanDerWaalsContact O-N 3.07Å
105E76.3Confident73.1Confident111 Ų11161.6 Ų61.652%0.51931%0.313SS..Hα-helixtrans-77-43.7-176.2-69.2-177.2179.100112K101 K108K101-E105 WeakPolarHBondContact CE-OE1 3.38Å; K101-E105 WeakPolarHBondContact CE-OE2 3.47Å; K101-E105 VanDerWaalsContact CG-CD 3.4Å; K101-E105 HydrophobicContact CG-CG 4.09Å; K101-E105 WeakPolarHBondContact CG-OE1 3.46Å; K101-E105 VanDerWaalsContact O-CB 3.22Å; K101-E105 WeakPolarHBondContact O-CB 3.32Å; K101-E105 WeakPolarHBondContact O-CG 3.17Å; K101-E105 PolarHBondContact O-N 3.41Å; E105-K108 WeakPolarHBondContact O-CE 3.29Å; E105-K108 PolarHBondContact O-NZ 3.03Å
106T61.5Low73.6Confident77 Ų7760.7 Ų60.747%0.47230%0.301SS..Hα-helixtrans-78.5-42-175.9-53.50000112.1F102F102-T106 HydrophobicContact CE2-CG2 4.3Å; F102-T106 WeakPolarHBondContact O-CB 3.29Å; F102-T106 PolarHBondContact O-N 2.69Å; F102-T106 PolarHBondContact O-OG1 2.93Å; F102-T106 VanDerWaalsContact O-OG1 3.1Å
107Y58.9Low73.8Confident50 Ų5059.8 Ų59.820%0.19630%0.299CS..Hα-helixtrans-114.90.2-172.9-52.1-77.8000114.4L81 A84 F102 A103 V109L81-Y107 HydrophobicContact CD2-CD2 3.41Å; L81-Y107 VanDerWaalsContact CD2-CD2 3.41Å; L81-Y107 HydrophobicContact CD2-CE2 3.72Å; L81-Y107 HydrophobicContact CD2-CG 3.93Å; L81-Y107 HydrophobicContact CG-CD1 4.35Å; L81-Y107 HydrophobicContact CG-CD2 3.95Å; L81-Y107 HydrophobicContact CG-CE2 4.43Å; L81-Y107 HydrophobicContact CG-CG 3.92Å; A84-Y107 HydrophobicContact CB-CE1 3.6Å; A84-Y107 WeakPolarHBondContact CB-OH 3.32Å; F102-Y107 HydrophobicContact CD1-CE2 4.21Å; F102-Y107 AromaticContact CE1-CE2 3.59Å; F102-Y107 HydrophobicContact CE1-CE2 3.59Å; F102-Y107 HydrophobicContact CE2-CE2 4.4Å; F102-Y107 AromaticContact CZ-CE2 3.69Å; F102-Y107 HydrophobicContact CZ-CE2 3.69Å; F102-Y107 WeakPolarHBondContact CZ-OH 3.33Å; A103-Y107 WeakPolarHBondContact O-CB 3.49Å; A103-Y107 PolarHBondContact O-N 3.43Å; A103-Y107 VanDerWaalsContact O-N 3.16Å; Y107-V109 PolarHBondContact O-N 3.06Å
108K69.8Low74Confident152 Ų15255.9 Ų55.966%0.66128%0.279SS*.  trans53.438.6-178.3-51.6-49.9-172.6-159.20112.2A103 T104 E105A103-K108 PolarHBondContact O-N 3.05Å; T104-K108 WeakPolarHBondContact O-CA 3.23Å; T104-K108 WeakPolarHBondContact O-CD 3.47Å; T104-K108 PolarHBondContact O-N 3.44Å; T104-K108 VanDerWaalsContact O-N 3.07Å; E105-K108 WeakPolarHBondContact O-CE 3.29Å; E105-K108 PolarHBondContact O-NZ 3.03Å
109V59.8Low74.3Confident13 Ų1351.9 Ų51.98%0.07926%0.26CS..  trans-59.9134.9177.9165.40000110.7L81 A103 Y107 F111 M113L81-V109 HydrophobicContact CD1-CG2 3.75Å; A103-V109 HydrophobicContact CB-CB 4.41Å; A103-V109 HydrophobicContact CB-CG2 4.29Å; A103-V109 WeakPolarHBondContact O-CG2 3.04Å; A103-V109 PolarHBondContact O-N 3.33Å; Y107-V109 PolarHBondContact O-N 3.06Å; V109-F111 HydrophobicContact CB-CE1 4.13Å; V109-F111 HydrophobicContact CB-CZ 4.19Å; V109-F111 HydrophobicContact CG1-CD1 3.58Å; V109-F111 HydrophobicContact CG1-CD2 3.59Å; V109-F111 HydrophobicContact CG1-CE1 3.43Å; V109-F111 VanDerWaalsContact CG1-CE1 3.43Å; V109-F111 HydrophobicContact CG1-CE2 3.43Å; V109-F111 VanDerWaalsContact CG1-CE2 3.43Å; V109-F111 HydrophobicContact CG1-CG 3.66Å; V109-F111 HydrophobicContact CG1-CZ 3.35Å; V109-F111 HydrophobicContact CG2-CD1 4.47Å; V109-F111 HydrophobicContact CG2-CE1 3.66Å; V109-F111 HydrophobicContact CG2-CZ 3.7Å; V109-M113 HydrophobicContact CG1-CE 4.39Å; V109-M113 HydrophobicContact CG1-SD 4.4Å
110T66Low74.8Confident143 Ų14351.7 Ų51.788%0.87726%0.259SS*.  trans-120.7-1.4175.458.80000113.5
111F70.7Confident75.1Confident31 Ų3151.7 Ų51.714%0.13628%0.276CS..SBendtrans-79.6154.6177.556.5-109.3000111.4Q61 V63 L81 V109 M113Q61-F111 HydrophobicContact CB-CD2 4.23Å; Q61-F111 HydrophobicContact CB-CE2 3.88Å; Q61-F111 HydrophobicContact CG-CE2 4.02Å; V63-F111 HydrophobicContact CG2-CB 4.02Å; V63-F111 HydrophobicContact CG2-CD1 4.09Å; V63-F111 HydrophobicContact CG2-CD2 4.43Å; V63-F111 HydrophobicContact CG2-CG 3.94Å; L81-F111 HydrophobicContact CD1-CE1 3.95Å; L81-F111 HydrophobicContact CD1-CZ 3.74Å; V109-F111 HydrophobicContact CB-CE1 4.13Å; V109-F111 HydrophobicContact CB-CZ 4.19Å; V109-F111 HydrophobicContact CG1-CD1 3.58Å; V109-F111 HydrophobicContact CG1-CD2 3.59Å; V109-F111 HydrophobicContact CG1-CE1 3.43Å; V109-F111 VanDerWaalsContact CG1-CE1 3.43Å; V109-F111 HydrophobicContact CG1-CE2 3.43Å; V109-F111 VanDerWaalsContact CG1-CE2 3.43Å; V109-F111 HydrophobicContact CG1-CG 3.66Å; V109-F111 HydrophobicContact CG1-CZ 3.35Å; V109-F111 HydrophobicContact CG2-CD1 4.47Å; V109-F111 HydrophobicContact CG2-CE1 3.66Å; V109-F111 HydrophobicContact CG2-CZ 3.7Å; F111-M113 HydrophobicContact CD2-CG 4.2Å; F111-M113 HydrophobicContact CE2-CG 4.01Å; F111-M113 PolarHBondContact O-N 2.85Å
112D77.3Confident75.5Confident52 Ų5255.3 Ų55.328%0.27829%0.291SS..EExtended strand (participates in β ladder)trans-65.3130.3179.6-62-56.4000110.5R27 Y28 S62 Y114R27-D112 IonicContact CZ-OD1 2.7Å; R27-D112 IonicContact CZ-OD2 2.73Å; R27-D112 IonicContact NH1-OD1 2.61Å; R27-D112 IonicContact NH2-OD1 2.69Å; R27-D112 PolarHBondContact NH2-OD1 2.79Å; R27-D112 VanDerWaalsContact NH2-OD1 3.11Å; R27-D112 IonicContact NH2-OD2 3.9Å; R27-D112 PolarHBondContact NH2-OD2 2.93Å; Y28-D112 WeakPolarHBondContact CE1-OD2 3.34Å; Y28-D112 VanDerWaalsContact OH-CB 3.25Å; Y28-D112 WeakPolarHBondContact OH-CB 3.38Å; Y28-D112 PolarHBondContact OH-OD2 2.7Å; S62-D112 PolarHBondContact N-O 2.82Å; S62-D112 VanDerWaalsContact N-O 3.16Å; D112-Y114 HydrophobicContact CB-CE2 3.88Å
113M78Confident76.3Confident15 Ų1556.4 Ų56.47%0.07430%0.301CS..EExtended strand (participates in β ladder)trans-113.3146.6174.8-65.6179.4-77.600109.2I18 K100 A103 V109 F111I18-M113 HydrophobicContact CB-CB 3.94Å; I18-M113 WeakPolarHBondContact CB-O 3.12Å; I18-M113 HydrophobicContact CD1-CB 3.76Å; I18-M113 HydrophobicContact CD1-SD 4.22Å; I18-M113 HydrophobicContact CG1-CB 4.47Å; I18-M113 HydrophobicContact CG2-CB 3.94Å; I18-M113 PolarHBondContact N-O 2.88Å; K100-M113 HydrophobicContact CB-CE 4.32Å; K100-M113 HydrophobicContact CG-CE 3.82Å; A103-M113 HydrophobicContact CB-CE 4.33Å; A103-M113 HydrophobicContact CB-SD 3.68Å; V109-M113 HydrophobicContact CG1-CE 4.39Å; V109-M113 HydrophobicContact CG1-SD 4.4Å; F111-M113 HydrophobicContact CD2-CG 4.2Å; F111-M113 HydrophobicContact CE2-CG 4.01Å; F111-M113 PolarHBondContact O-N 2.85Å
114Y85.1Confident77.3Confident2 Ų256.7 Ų56.71%0.00830%0.304CS..EExtended strand (participates in β ladder)trans-124.7160.1-173.1-66.8-89.5000112.5V15 K16 D17 V23 Y28 V59 I60 S62 D112V15-Y114 HydrophobicContact CB-CD1 3.93Å; V15-Y114 HydrophobicContact CB-CE1 4.2Å; V15-Y114 HydrophobicContact CG2-CD1 3.35Å; V15-Y114 HydrophobicContact CG2-CE1 3.14Å; V15-Y114 HydrophobicContact CG2-CG 4.39Å; K16-Y114 CarbonylContact O-C 3.51Å; K16-Y114 WeakPolarHBondContact O-CA 3.16Å; K16-Y114 VanDerWaalsContact O-CB 3.29Å; K16-Y114 WeakPolarHBondContact O-CB 3.45Å; K16-Y114 VanDerWaalsContact O-CD1 3.26Å; K16-Y114 WeakPolarHBondContact O-CD1 3.2Å; D17-Y114 HydrophobicContact CB-CD1 4.46Å; V23-Y114 HydrophobicContact CB-CE1 4.07Å; V23-Y114 HydrophobicContact CG1-CE1 4.11Å; Y28-Y114 VanDerWaalsContact CE2-OH 3.23Å; Y28-Y114 WeakPolarHBondContact CE2-OH 3.49Å; Y28-Y114 PolarHBondContact OH-OH 2.88Å; V59-Y114 WeakPolarHBondContact CG1-O 3.4Å; I60-Y114 HydrophobicContact CB-CD2 4.2Å; I60-Y114 HydrophobicContact CB-CG 4.2Å; I60-Y114 HydrophobicContact CG2-CD2 3.84Å; I60-Y114 HydrophobicContact CG2-CG 4.25Å; I60-Y114 WeakPolarHBondContact O-CB 3.48Å; I60-Y114 WeakPolarHBondContact O-CD2 3.48Å; I60-Y114 PolarHBondContact O-N 2.84Å; S62-Y114 WeakPolarHBondContact OG-CE2 3.48Å; D112-Y114 HydrophobicContact CB-CE2 3.88Å
115S84.8Confident78Confident8 Ų855.5 Ų55.56%0.05629%0.294CS..EExtended strand (participates in β ladder)trans-57.6158.1175.2-73.70000112.5K16 D17 E96 V117K16-S115 PolarHBondContact O-N 3.35Å; D17-S115 PolarHBondContact O-N 3.1Å; D17-S115 PolarHBondContact O-OG 2.91Å; E96-S115 WeakPolarHBondContact OE1-CA 3.39Å; E96-S115 WeakPolarHBondContact OE1-CB 3.3Å; E96-S115 PolarHBondContact OE1-OG 3.38Å; E96-S115 PolarHBondContact OE2-OG 2.96Å; S115-V117 PolarHBondContact O-N 2.95Å
116K80.7Confident78.8Confident42 Ų4251.5 Ų51.518%0.18328%0.278CS..EExtended strand (participates in β ladder)trans-63.3132.2170.2-73.1178.8175.4-178.90109.4E47 A58 V59 K94 E96E47-K116 HydrophobicContact CG-CD 4.17Å; E47-K116 IonicContact OE1-NZ 2.78Å; E47-K116 PolarHBondContact OE1-NZ 3.1Å; A58-K116 CarbonylContact O-C 3.55Å; A58-K116 WeakPolarHBondContact O-CA 2.99Å; V59-K116 HydrophobicContact CG2-CG 3.57Å; K94-K116 PolarHBondContact O-NZ 3.31Å; E96-K116 PolarHBondContact OE1-N 3.07Å
117V82.8Confident80.2Confident21 Ų2147.9 Ų47.913%0.12726%0.256CS..EExtended strand (participates in β ladder)trans-136.7152.2176.6-62.80000111.3N57 A58 I60 S115 V119 H125N57-V117 CarbonylContact C-O 3.6Å; N57-V117 WeakPolarHBondContact CA-O 3.49Å; A58-V117 PolarHBondContact N-O 3.26Å; A58-V117 PolarHBondContact O-N 3.11Å; I60-V117 HydrophobicContact CD1-CG2 3.79Å; I60-V117 HydrophobicContact CG1-CG2 4.08Å; S115-V117 PolarHBondContact O-N 2.95Å; V117-V119 HydrophobicContact CG2-CG1 4.43Å; V117-V119 PolarHBondContact O-N 3.35Å; V117-H125 HydrophobicContact CB-CB 3.99Å; V117-H125 HydrophobicContact CG1-CB 4.47Å; V117-H125 HydrophobicContact CG2-CB 4.16Å
118D83.1Confident81.5Confident41 Ų4145.5 Ų45.522%0.21925%0.246CC..EExtended strand (participates in β ladder)trans-65.6127.7169.3-80.8-50.9000110.6Q56 N57 D123 A124 H125Q56-D118 VanDerWaalsContact C-OD1 3.27Å; Q56-D118 WeakPolarHBondContact CB-OD1 3.29Å; Q56-D118 CarbonylContact O-C 3.53Å; Q56-D118 WeakPolarHBondContact O-CA 2.93Å; N57-D118 PolarHBondContact OD1-OD1 2.76Å; N57-D118 VanDerWaalsContact OD1-OD1 3.06Å; D118-D123 WeakPolarHBondContact CB-O 3.1Å; D118-A124 CarbonylContact O-C 3.59Å; D118-A124 VanDerWaalsContact O-CA 3.31Å; D118-A124 WeakPolarHBondContact O-CA 3.31Å; D118-H125 PolarHBondContact O-N 3.2Å
119V83.5Confident82.5Confident0 Ų040.7 Ų40.70%023%0.229CC..  trans-104.2-13.2178.3-56.40000112.8Q56 A58 V117 W128 K132 I143Q56-V119 PolarHBondContact O-N 2.88Å; A58-V119 HydrophobicContact CB-CG1 3.54Å; V117-V119 HydrophobicContact CG2-CG1 4.43Å; V117-V119 PolarHBondContact O-N 3.35Å; V119-W128 HydrophobicContact CB-CD2 3.81Å; V119-W128 HydrophobicContact CB-CE3 4.03Å; V119-W128 HydrophobicContact CB-CG 3.98Å; V119-W128 HydrophobicContact CG1-CD2 3.59Å; V119-W128 HydrophobicContact CG1-CE3 4.16Å; V119-W128 HydrophobicContact CG1-CG 3.83Å; V119-W128 HydrophobicContact CG1-CZ2 4.14Å; V119-K132 WeakPolarHBondContact O-CE 3.16Å; V119-K132 PolarHBondContact O-NZ 2.81Å; V119-I143 HydrophobicContact CB-CG1 4.18Å; V119-I143 HydrophobicContact CG2-CB 3.93Å; V119-I143 HydrophobicContact CG2-CG1 4.13Å; V119-I143 HydrophobicContact CG2-CG2 4.19Å
120N83.1Confident84.1Confident7 Ų740.1 Ų40.14%0.03723%0.226CC..SBendtrans-135168.9-177-71.4-44.9000110.7P55 F142 I143P55-N120 PolarHBondContact O-ND2 3.14Å; N120-F142 HydrophobicContact CB-CD2 4.11Å; N120-F142 HydrophobicContact CB-CE2 3.47Å; N120-F142 VanDerWaalsContact CB-CE2 3.47Å; N120-F142 HydrophobicContact CB-CZ 3.77Å; N120-F142 VanDerWaalsContact CG-CZ 3.41Å; N120-F142 VanDerWaalsContact ND2-CE1 3.34Å; N120-F142 WeakPolarHBondContact ND2-CE1 3.27Å; N120-F142 WeakPolarHBondContact ND2-CZ 3.49Å; N120-F142 WeakPolarHBondContact OD1-CD2 3.48Å; N120-I143 PolarHBondContact ND2-O 2.97Å; N120-I143 PolarHBondContact OD1-N 3.22Å
121G85.7Confident85.2Confident60 Ų6033.3 Ų33.362%0.61918%0.184SC*.SBendtrans76.7-173.1179.300000114D123 A124G121-D123 VanDerWaalsContact C-N 3.28Å; G121-D123 PolarHBondContact O-N 2.85Å; G121-A124 VanDerWaalsContact O-CB 3.32Å; G121-A124 WeakPolarHBondContact O-CB 3.42Å; G121-A124 PolarHBondContact O-N 3.26Å
122K87.3Confident86.1Confident193 Ų19332.9 Ų32.984%0.83918%0.182SC*.THydrogen-bonded Turntrans-70.5-25.1-17766.6179.7-176173.20113A124K122-A124 VanDerWaalsContact C-N 3.33Å
123D87.4Confident86.7Confident107 Ų10736.5 Ų36.557%0.57220%0.201SC*.THydrogen-bonded Turntrans-94.75.2-178.2-55.3-53.1000111.7D118 G121 H125D118-D123 WeakPolarHBondContact CB-O 3.1Å; G121-D123 VanDerWaalsContact C-N 3.28Å; G121-D123 PolarHBondContact O-N 2.85Å; D123-H125 PolarHBondContact O-N 3.2Å
124A87.7Confident87.3Confident10 Ų1040 Ų408%0.08321%0.214CC..  trans-54130.4178.200000111.6D118 G121 K122 V129D118-A124 CarbonylContact O-C 3.59Å; D118-A124 VanDerWaalsContact O-CA 3.31Å; D118-A124 WeakPolarHBondContact O-CA 3.31Å; G121-A124 VanDerWaalsContact O-CB 3.32Å; G121-A124 WeakPolarHBondContact O-CB 3.42Å; G121-A124 PolarHBondContact O-N 3.26Å; K122-A124 VanDerWaalsContact C-N 3.33Å; A124-V129 HydrophobicContact CB-CG2 3.97Å
125H89.7Confident87.4Confident31 Ų3142.1 Ų42.114%0.14422%0.224CC..  trans-57.2138.7-179.6-174.3-82.3000110.9V117 D118 D123 L127 W128 V129V117-H125 HydrophobicContact CB-CB 3.99Å; V117-H125 HydrophobicContact CG1-CB 4.47Å; V117-H125 HydrophobicContact CG2-CB 4.16Å; D118-H125 PolarHBondContact O-N 3.2Å; D123-H125 PolarHBondContact O-N 3.2Å; H125-L127 VanDerWaalsContact C-N 3.26Å; H125-L127 WeakPolarHBondContact ND1-CB 3.41Å; H125-L127 PolarHBondContact ND1-N 3.23Å; H125-L127 PolarHBondContact O-N 3.41Å; H125-L127 VanDerWaalsContact O-N 3.11Å; H125-W128 WeakPolarHBondContact O-CA 3.11Å; H125-W128 WeakPolarHBondContact O-CB 3.48Å; H125-W128 PolarHBondContact O-N 3.3Å; H125-V129 PolarHBondContact O-N 2.61Å; H125-V129 VanDerWaalsContact O-N 3.15Å
126P91.9Very high87.4Confident27 Ų2743.8 Ų43.818%0.17524%0.242CC..Hα-helixtrans-54-37.3-173.7-30.336000114.9F13 W128 V129 Y130F13-P126 HydrophobicContact CD1-CB 4.12Å; F13-P126 VanDerWaalsContact CE1-C 3.49Å; F13-P126 HydrophobicContact CE1-CB 3.76Å; P126-W128 VanDerWaalsContact C-N 3.3Å; P126-W128 PolarHBondContact O-N 3.37Å; P126-V129 PolarHBondContact O-N 2.89Å; P126-Y130 WeakPolarHBondContact O-CB 3.38Å; P126-Y130 PolarHBondContact O-N 3.47Å
127L91.2Very high86.9Confident1 Ų143.2 Ų43.21%0.00525%0.248CC..Hα-helixtrans-57.3-42173.4177.460.9000111.8V10 F13 V15 I42 I60 H125 Y130 L131V10-L127 HydrophobicContact CB-CD1 4.14Å; V10-L127 HydrophobicContact CG1-CD1 4.08Å; F13-L127 HydrophobicContact CB-CB 4.37Å; F13-L127 HydrophobicContact CB-CD1 4.36Å; F13-L127 HydrophobicContact CD1-CB 4.03Å; F13-L127 HydrophobicContact CD2-CD1 3.68Å; F13-L127 HydrophobicContact CE1-CB 4.5Å; F13-L127 HydrophobicContact CE2-CD1 4.12Å; F13-L127 HydrophobicContact CG-CB 4.03Å; F13-L127 HydrophobicContact CG-CD1 3.98Å; V15-L127 HydrophobicContact CG1-CD2 3.78Å; I42-L127 HydrophobicContact CD1-CD2 4.3Å; I60-L127 HydrophobicContact CD1-CD2 4.31Å; H125-L127 VanDerWaalsContact C-N 3.26Å; H125-L127 WeakPolarHBondContact ND1-CB 3.41Å; H125-L127 PolarHBondContact ND1-N 3.23Å; H125-L127 PolarHBondContact O-N 3.41Å; H125-L127 VanDerWaalsContact O-N 3.11Å; L127-Y130 WeakPolarHBondContact O-CB 3.5Å; L127-Y130 PolarHBondContact O-N 2.79Å; L127-L131 HydrophobicContact CD1-CD1 4.37Å; L127-L131 HydrophobicContact CD1-CG 4.24Å; L127-L131 HydrophobicContact CG-CD1 4.18Å; L127-L131 HydrophobicContact CG-CG 4.46Å; L127-L131 VanDerWaalsContact O-CG 3.26Å; L127-L131 WeakPolarHBondContact O-CG 3.19Å; L127-L131 PolarHBondContact O-N 3.47Å
128W87.1Confident86.2Confident0 Ų049.5 Ų49.50%029%0.287CS..Hα-helixtrans-69.9-37.5178.7-80.499.9000112.3I42 V44 I60 V119 H125 P126 Y130 L131 K132 I143 F150I42-W128 HydrophobicContact CG2-CH2 4.31Å; I42-W128 HydrophobicContact CG2-CZ2 4.05Å; V44-W128 HydrophobicContact CB-CH2 4.48Å; V44-W128 HydrophobicContact CG2-CH2 2.98Å; V44-W128 HydrophobicContact CG2-CZ2 3.36Å; V44-W128 HydrophobicContact CG2-CZ3 3.83Å; I60-W128 HydrophobicContact CG1-CZ2 4.01Å; V119-W128 HydrophobicContact CB-CD2 3.81Å; V119-W128 HydrophobicContact CB-CE3 4.03Å; V119-W128 HydrophobicContact CB-CG 3.98Å; V119-W128 HydrophobicContact CG1-CD2 3.59Å; V119-W128 HydrophobicContact CG1-CE3 4.16Å; V119-W128 HydrophobicContact CG1-CG 3.83Å; V119-W128 HydrophobicContact CG1-CZ2 4.14Å; H125-W128 WeakPolarHBondContact O-CA 3.11Å; H125-W128 WeakPolarHBondContact O-CB 3.48Å; H125-W128 PolarHBondContact O-N 3.3Å; P126-W128 VanDerWaalsContact C-N 3.3Å; P126-W128 PolarHBondContact O-N 3.37Å; W128-Y130 VanDerWaalsContact C-N 3.32Å; W128-L131 HydrophobicContact CE3-CD1 4.48Å; W128-L131 PolarHBondContact O-N 3.44Å; W128-K132 VanDerWaalsContact O-CB 3.27Å; W128-K132 WeakPolarHBondContact O-CB 3.12Å; W128-K132 VanDerWaalsContact O-CE 3.24Å; W128-K132 WeakPolarHBondContact O-CE 3.42Å; W128-K132 WeakPolarHBondContact O-CG 3.42Å; W128-K132 PolarHBondContact O-N 3.28Å; W128-I143 HydrophobicContact CE3-CD1 3.98Å; W128-I143 HydrophobicContact CE3-CG1 3.8Å; W128-I143 HydrophobicContact CZ3-CD1 3.72Å; W128-I143 HydrophobicContact CZ3-CG1 3.81Å; W128-F150 HydrophobicContact CE3-CE2 4.4Å; W128-F150 HydrophobicContact CH2-CD2 4.24Å; W128-F150 HydrophobicContact CH2-CE2 4.11Å; W128-F150 HydrophobicContact CZ3-CD2 4.06Å; W128-F150 AromaticContact CZ3-CE2 3.52Å; W128-F150 HydrophobicContact CZ3-CE2 3.52Å; W128-F150 HydrophobicContact CZ3-CZ 4.37Å
129V90.3Very high85.5Confident50 Ų5054 Ų5430%0.30331%0.31SS..Hα-helixtrans-60.1-46.5172.1-175.90000109.9S4 A124 H125 P126 K132 D133S4-V129 WeakPolarHBondContact OG-CG1 3.5Å; A124-V129 HydrophobicContact CB-CG2 3.97Å; H125-V129 PolarHBondContact O-N 2.61Å; H125-V129 VanDerWaalsContact O-N 3.15Å; P126-V129 PolarHBondContact O-N 2.89Å; V129-K132 PolarHBondContact O-N 2.94Å; V129-D133 VanDerWaalsContact O-CB 3.26Å; V129-D133 WeakPolarHBondContact O-CB 3.31Å; V129-D133 PolarHBondContact O-N 2.93Å
130Y92.2Very high85.1Confident1 Ų156 Ų560%0.00433%0.331CS..Hα-helixtrans-60.1-47.2177.5173.3-87000113.5A7 S8 S9 V10 F13 P126 L127 W128 D133 R134 Q157 P158A7-Y130 HydrophobicContact CB-CD2 3.78Å; A7-Y130 HydrophobicContact CB-CE2 3.98Å; A7-Y130 WeakPolarHBondContact O-CE2 3.37Å; S8-Y130 PolarHBondContact O-OH 3.36Å; S9-Y130 WeakPolarHBondContact CA-OH 3.38Å; V10-Y130 HydrophobicContact CG1-CD1 4.13Å; V10-Y130 HydrophobicContact CG1-CE1 3.67Å; F13-Y130 AromaticContact CE2-CD1 3.88Å; F13-Y130 HydrophobicContact CE2-CD1 3.88Å; F13-Y130 AromaticContact CE2-CD2 3.79Å; F13-Y130 HydrophobicContact CE2-CD2 3.79Å; F13-Y130 HydrophobicContact CE2-CE1 4.43Å; F13-Y130 HydrophobicContact CE2-CE2 4.3Å; F13-Y130 AromaticContact CE2-CG 3.57Å; F13-Y130 HydrophobicContact CE2-CG 3.57Å; F13-Y130 VanDerWaalsContact CZ-CB 3.41Å; F13-Y130 HydrophobicContact CZ-CD1 4.34Å; F13-Y130 AromaticContact CZ-CD2 3.78Å; F13-Y130 HydrophobicContact CZ-CD2 3.78Å; F13-Y130 AromaticContact CZ-CG 3.6Å; F13-Y130 HydrophobicContact CZ-CG 3.6Å; P126-Y130 WeakPolarHBondContact O-CB 3.38Å; P126-Y130 PolarHBondContact O-N 3.47Å; L127-Y130 WeakPolarHBondContact O-CB 3.5Å; L127-Y130 PolarHBondContact O-N 2.79Å; W128-Y130 VanDerWaalsContact C-N 3.32Å; Y130-D133 PolarHBondContact O-N 2.93Å; Y130-R134 VanDerWaalsContact CD2-NH1 3.27Å; Y130-R134 VanDerWaalsContact CE2-NE 3.33Å; Y130-R134 VanDerWaalsContact CE2-NH2 3.31Å; Y130-R134 VanDerWaalsContact CZ-CD 3.44Å; Y130-R134 VanDerWaalsContact CZ-NE 3.35Å; Y130-R134 PolarHBondContact O-N 3.1Å; Y130-R134 WeakPolarHBondContact OH-CD 3.36Å; Y130-R134 PolarHBondContact OH-NE 3.4Å; Y130-Q157 PolarHBondContact OH-OE1 3.46Å; Y130-P158 HydrophobicContact CD1-CG 4.23Å; Y130-P158 HydrophobicContact CE1-CG 3.6Å
131L90.6Very high85Confident0 Ų058.5 Ų58.50%035%0.349CS..Hα-helixtrans-62.4-46.8178.8-70.8175.3000111.7V10 I42 L127 W128 D133 R134 Q135 F150 I152 P158V10-L131 HydrophobicContact CG1-CD2 3.96Å; I42-L131 HydrophobicContact CD1-CD1 3.94Å; I42-L131 HydrophobicContact CD1-CD2 4.4Å; I42-L131 HydrophobicContact CG2-CD1 4.18Å; L127-L131 HydrophobicContact CD1-CD1 4.37Å; L127-L131 HydrophobicContact CD1-CG 4.24Å; L127-L131 HydrophobicContact CG-CD1 4.18Å; L127-L131 HydrophobicContact CG-CG 4.46Å; L127-L131 VanDerWaalsContact O-CG 3.26Å; L127-L131 WeakPolarHBondContact O-CG 3.19Å; L127-L131 PolarHBondContact O-N 3.47Å; W128-L131 HydrophobicContact CE3-CD1 4.48Å; W128-L131 PolarHBondContact O-N 3.44Å; L131-D133 PolarHBondContact O-N 2.99Å; L131-R134 PolarHBondContact O-N 2.86Å; L131-Q135 PolarHBondContact O-N 2.97Å; L131-F150 HydrophobicContact CB-CD1 3.87Å; L131-F150 HydrophobicContact CB-CD2 4.46Å; L131-F150 HydrophobicContact CB-CE1 3.8Å; L131-F150 HydrophobicContact CB-CE2 4.46Å; L131-F150 HydrophobicContact CB-CG 4.19Å; L131-F150 HydrophobicContact CB-CZ 4.11Å; L131-F150 HydrophobicContact CD1-CB 4.42Å; L131-F150 HydrophobicContact CD1-CD2 4.13Å; L131-F150 HydrophobicContact CD1-CG 4.14Å; L131-F150 HydrophobicContact CD2-CB 4.09Å; L131-F150 HydrophobicContact CD2-CD1 4.15Å; L131-F150 HydrophobicContact CD2-CG 4.13Å; L131-F150 HydrophobicContact CG-CD1 4.44Å; L131-F150 HydrophobicContact CG-CG 4.39Å; L131-F150 WeakPolarHBondContact O-CE1 3.32Å; L131-I152 HydrophobicContact CD2-CD1 3.68Å; L131-P158 HydrophobicContact CD2-CB 3.98Å; L131-P158 HydrophobicContact CD2-CG 3.6Å
132K88.9Confident84.8Confident22 Ų2259.5 Ų59.510%0.09634%0.336CS..Hα-helixtrans-65.7-36.5-179.3-76.5-174-60.7-173.80113.2V119 W128 V129 Q135 G136 S141 I143V119-K132 WeakPolarHBondContact O-CE 3.16Å; V119-K132 PolarHBondContact O-NZ 2.81Å; W128-K132 VanDerWaalsContact O-CB 3.27Å; W128-K132 WeakPolarHBondContact O-CB 3.12Å; W128-K132 VanDerWaalsContact O-CE 3.24Å; W128-K132 WeakPolarHBondContact O-CE 3.42Å; W128-K132 WeakPolarHBondContact O-CG 3.42Å; W128-K132 PolarHBondContact O-N 3.28Å; V129-K132 PolarHBondContact O-N 2.94Å; K132-Q135 CarbonylContact O-C 3.49Å; K132-G136 PolarHBondContact O-N 2.91Å; K132-S141 VanDerWaalsContact CD-O 3.27Å; K132-S141 WeakPolarHBondContact CD-O 3.31Å; K132-S141 VanDerWaalsContact CG-O 3.27Å; K132-S141 WeakPolarHBondContact CG-O 3.11Å; K132-S141 WeakPolarHBondContact O-CB 3.39Å; K132-I143 HydrophobicContact CD-CD1 4.01Å; K132-I143 HydrophobicContact CD-CG1 4.01Å; K132-I143 HydrophobicContact CG-CD1 3.78Å; K132-I143 HydrophobicContact CG-CG1 4.3Å
133D90Very high84.4Confident128 Ų12850.3 Ų50.368%0.68430%0.297SS*.Hα-helixtrans-66.5-41.9179.4-172.565.4000111.3V129 Y130 L131V129-D133 VanDerWaalsContact O-CB 3.26Å; V129-D133 WeakPolarHBondContact O-CB 3.31Å; V129-D133 PolarHBondContact O-N 2.93Å; Y130-D133 PolarHBondContact O-N 2.93Å; L131-D133 PolarHBondContact O-N 2.99Å
134R90.9Very high83.5Confident90 Ų9049 Ų4934%0.3429%0.286SS..Hα-helixtrans-83.9-31179.8-74.4169169.170.5-9.4114.2A7 Y130 L131 P158A7-R134 PolarHBondContact O-NH2 2.83Å; Y130-R134 VanDerWaalsContact CD2-NH1 3.27Å; Y130-R134 VanDerWaalsContact CE2-NE 3.33Å; Y130-R134 VanDerWaalsContact CE2-NH2 3.31Å; Y130-R134 VanDerWaalsContact CZ-CD 3.44Å; Y130-R134 VanDerWaalsContact CZ-NE 3.35Å; Y130-R134 PolarHBondContact O-N 3.1Å; Y130-R134 WeakPolarHBondContact OH-CD 3.36Å; Y130-R134 PolarHBondContact OH-NE 3.4Å; L131-R134 PolarHBondContact O-N 2.86Å; R134-P158 HydrophobicContact CB-CG 4.29Å
135Q87.8Confident82.3Confident46 Ų4654.8 Ų54.822%0.21531%0.305CS..SBendtrans-130.179.9-177.8-68.6-68.4-3100109.3L131 K132 F150 P158 V159 R161L131-Q135 PolarHBondContact O-N 2.97Å; K132-Q135 CarbonylContact O-C 3.49Å; Q135-F150 HydrophobicContact CB-CD1 3.81Å; Q135-F150 HydrophobicContact CB-CE1 3.67Å; Q135-F150 HydrophobicContact CG-CD1 4.48Å; Q135-F150 WeakPolarHBondContact O-CE1 3.43Å; Q135-P158 HydrophobicContact CB-CB 4.44Å; Q135-P158 HydrophobicContact CG-CB 3.58Å; Q135-P158 WeakPolarHBondContact CG-O 3.06Å; Q135-P158 PolarHBondContact NE2-O 3.23Å; Q135-V159 PolarHBondContact NE2-O 2.79Å; Q135-V159 VanDerWaalsContact NE2-O 3.17Å; Q135-R161 HydrophobicContact CB-CB 4.02Å; Q135-R161 WeakPolarHBondContact O-CD 3.45Å
136G82.8Confident80.9Confident43 Ų4353.3 Ų53.344%0.44330%0.299SS..  trans-60.2176.8175.700000113.1K132 R161K132-G136 PolarHBondContact O-N 2.91Å; G136-R161 WeakPolarHBondContact O-CD 3.07Å
137G71.6Confident79.7Confident29 Ų2954.7 Ų54.730%0.29930%0.302SS..  trans-112.4164.5171.500000111.1L139 G140G137-L139 PolarHBondContact O-N 2.84Å; G137-G140 CarbonylContact C-O 3.53Å; G137-G140 WeakPolarHBondContact CA-O 3.2Å; G137-G140 PolarHBondContact N-O 3.05Å; G137-G140 PolarHBondContact O-N 3.21Å; G137-G140 VanDerWaalsContact O-N 3.11Å
138T68.5Low78.9Confident154 Ų15454.7 Ų54.795%0.94530%0.302SS*.THydrogen-bonded Turntrans-56.2-19.5-179.4-37.30000114
139L67.2Low78.7Confident134 Ų13454.7 Ų54.770%0.70230%0.302SS*.THydrogen-bonded Turntrans-135.444.8-179.6-75.9167.4000110.3G137 K144G137-L139 PolarHBondContact O-N 2.84Å; L139-K144 VanDerWaalsContact CB-NZ 3.29Å
140G75.4Confident78.5Confident43 Ų4352.3 Ų52.344%0.44329%0.288SS..  trans99.5167.2-178.500000113.3G137 F142G137-G140 CarbonylContact C-O 3.53Å; G137-G140 WeakPolarHBondContact CA-O 3.2Å; G137-G140 PolarHBondContact N-O 3.05Å; G137-G140 PolarHBondContact O-N 3.21Å; G137-G140 VanDerWaalsContact O-N 3.11Å; G140-F142 VanDerWaalsContact C-N 3.29Å; G140-F142 PolarHBondContact O-N 3.38Å
141S80.2Confident78.1Confident60 Ų6052.2 Ų52.242%0.4229%0.287SS..SBendtrans-77.2-13.7-17363.30000113.8K132 R161K132-S141 VanDerWaalsContact CD-O 3.27Å; K132-S141 WeakPolarHBondContact CD-O 3.31Å; K132-S141 VanDerWaalsContact CG-O 3.27Å; K132-S141 WeakPolarHBondContact CG-O 3.11Å; K132-S141 WeakPolarHBondContact O-CB 3.39Å; S141-R161 PolarHBondContact O-NH1 3.23Å
142F81.9Confident77.9Confident81 Ų8152.3 Ų52.336%0.35529%0.288SS..SBendtrans-53138.7-178.7-167.3-91.7000113.6W54 N120 G140 K144 R161W54-F142 HydrophobicContact CB-CE1 4.02Å; W54-F142 HydrophobicContact CB-CZ 3.96Å; W54-F142 HydrophobicContact CD2-CE1 4.06Å; W54-F142 AromaticContact CE3-CE1 3.89Å; W54-F142 HydrophobicContact CE3-CE1 3.89Å; W54-F142 HydrophobicContact CG-CE1 4.14Å; W54-F142 HydrophobicContact CG-CZ 4.26Å; N120-F142 HydrophobicContact CB-CD2 4.11Å; N120-F142 HydrophobicContact CB-CE2 3.47Å; N120-F142 VanDerWaalsContact CB-CE2 3.47Å; N120-F142 HydrophobicContact CB-CZ 3.77Å; N120-F142 VanDerWaalsContact CG-CZ 3.41Å; N120-F142 VanDerWaalsContact ND2-CE1 3.34Å; N120-F142 WeakPolarHBondContact ND2-CE1 3.27Å; N120-F142 WeakPolarHBondContact ND2-CZ 3.49Å; N120-F142 WeakPolarHBondContact OD1-CD2 3.48Å; G140-F142 VanDerWaalsContact C-N 3.29Å; G140-F142 PolarHBondContact O-N 3.38Å; F142-K144 HydrophobicContact CD1-CG 4.47Å; F142-K144 PolarHBondContact O-N 2.98Å; F142-R161 PolarHBondContact O-NH2 2.87Å
143I79.5Confident77.6Confident0 Ų052.9 Ų52.90%029%0.292CS..  trans-79.799.9172.4-53.3-48.8000108.3V119 N120 W128 K132 T148 F150V119-I143 HydrophobicContact CB-CG1 4.18Å; V119-I143 HydrophobicContact CG2-CB 3.93Å; V119-I143 HydrophobicContact CG2-CG1 4.13Å; V119-I143 HydrophobicContact CG2-CG2 4.19Å; N120-I143 PolarHBondContact ND2-O 2.97Å; N120-I143 PolarHBondContact OD1-N 3.22Å; W128-I143 HydrophobicContact CE3-CD1 3.98Å; W128-I143 HydrophobicContact CE3-CG1 3.8Å; W128-I143 HydrophobicContact CZ3-CD1 3.72Å; W128-I143 HydrophobicContact CZ3-CG1 3.81Å; K132-I143 HydrophobicContact CD-CD1 4.01Å; K132-I143 HydrophobicContact CD-CG1 4.01Å; K132-I143 HydrophobicContact CG-CD1 3.78Å; K132-I143 HydrophobicContact CG-CG1 4.3Å; I143-T148 HydrophobicContact CD1-CG2 4.16Å; I143-F150 HydrophobicContact CD1-CE2 4.03Å; I143-F150 HydrophobicContact CD1-CZ 4Å
144K68.5Low77.1Confident79 Ų7951.9 Ų51.934%0.34328%0.278SS..  trans-69.9-34.1-174.1-67.9-176.5173.1-166.90113.9W54 L139 F142W54-K144 HydrophobicContact CZ3-CB 3.95Å; W54-K144 HydrophobicContact CZ3-CG 4.26Å; W54-K144 WeakPolarHBondContact CZ3-O 3.43Å; L139-K144 VanDerWaalsContact CB-NZ 3.29Å; F142-K144 HydrophobicContact CD1-CG 4.47Å; F142-K144 PolarHBondContact O-N 2.98Å
145W62.7Low76.9Confident131 Ų13150.9 Ų50.950%0.49629%0.285SS..SBendtrans-158.2163.8-173-159-105.8000110.5T148 P164W145-T148 PolarHBondContact O-OG1 3.43Å; W145-P164 HydrophobicContact CB-CB 4.06Å; W145-P164 HydrophobicContact CB-CG 4.03Å; W145-P164 HydrophobicContact CG-CB 4.41Å
146N59.5Low76.8Confident1 Ų148.7 Ų48.71%0.00528%0.275CS..THydrogen-bonded Turntrans-61.8162.7175-54-49.5000111.7D46 T148 P164D46-N146 HydrophobicContact CB-CB 4.31Å; D46-N146 VanDerWaalsContact CB-ND2 3.31Å; D46-N146 WeakPolarHBondContact CB-ND2 3.4Å; D46-N146 PolarHBondContact OD1-ND2 3.33Å; D46-N146 PolarHBondContact OD2-ND2 3.41Å; N146-T148 PolarHBondContact O-N 3.41Å; N146-P164 WeakPolarHBondContact O-CB 3.41Å
147F66.3Low77.2Confident55 Ų5549.4 Ų49.424%0.24127%0.267CS..THydrogen-bonded Turntrans64.418-175.2-48.6-75.5000115V44 I82 A85 K149V44-F147 WeakPolarHBondContact O-CA 3.21Å; V44-F147 PolarHBondContact O-N 2.93Å; I82-F147 HydrophobicContact CG1-CD1 4.09Å; I82-F147 HydrophobicContact CG1-CE1 4.24Å; A85-F147 HydrophobicContact CB-CZ 4.16Å; F147-K149 WeakPolarHBondContact O-CG 3.42Å; F147-K149 PolarHBondContact O-NZ 2.84Å
148T75.2Confident78.1Confident1 Ų148.4 Ų48.41%0.00626%0.255CS..  trans-62.3138.9160.9-61.10000108.9I143 W145 N146 F150 R161 F162I143-T148 HydrophobicContact CD1-CG2 4.16Å; W145-T148 PolarHBondContact O-OG1 3.43Å; N146-T148 PolarHBondContact O-N 3.41Å; T148-F150 HydrophobicContact CG2-CD2 4.37Å; T148-F150 HydrophobicContact CG2-CE2 3.66Å; T148-F150 HydrophobicContact CG2-CZ 4.3Å; T148-R161 HydrophobicContact CG2-CG 3.95Å; T148-F162 WeakPolarHBondContact CA-O 3.49Å
149K82.2Confident79.1Confident0 Ų043.6 Ų43.60%023%0.225CC..EExtended strand (participates in β ladder)trans-128.3139.5-173.8-33.4-179.3172.862.20110.1L41 I42 L43 F147 R161 F162 E166 M171L41-K149 HydrophobicContact CD1-CB 3.86Å; I42-K149 VanDerWaalsContact O-CA 3.28Å; I42-K149 WeakPolarHBondContact O-CA 3.43Å; L43-K149 HydrophobicContact CD2-CB 3.52Å; L43-K149 HydrophobicContact CD2-CD 3.66Å; L43-K149 HydrophobicContact CD2-CG 3.34Å; F147-K149 WeakPolarHBondContact O-CG 3.42Å; F147-K149 PolarHBondContact O-NZ 2.84Å; K149-R161 CarbonylContact O-C 3.12Å; K149-R161 VanDerWaalsContact O-CA 3.32Å; K149-R161 WeakPolarHBondContact O-CA 3.43Å; K149-F162 HydrophobicContact CB-CB 4.11Å; K149-F162 HydrophobicContact CB-CD2 4.43Å; K149-F162 HydrophobicContact CD-CB 4.46Å; K149-F162 HydrophobicContact CG-CB 4.31Å; K149-F162 PolarHBondContact N-O 3.46Å; K149-F162 PolarHBondContact O-N 3.22Å; K149-E166 PolarHBondContact NZ-O 3.3Å; K149-M171 HydrophobicContact CB-SD 4.28Å; K149-M171 HydrophobicContact CD-CE 3.96Å; K149-M171 HydrophobicContact CD-SD 3.53Å; K149-M171 VanDerWaalsContact CD-SD 3.53Å; K149-M171 HydrophobicContact CG-SD 4.48Å
150F86.7Confident80.2Confident0 Ų040.5 Ų40.50%021%0.206CC..EExtended strand (participates in β ladder)trans-118.8123.5172-69.3-99.8000109.4L41 I42 W128 L131 Q135 I143 T148 I152 K160 R161L41-F150 WeakPolarHBondContact CA-O 3.46Å; L41-F150 WeakPolarHBondContact CD1-O 3.45Å; I42-F150 PolarHBondContact N-O 2.88Å; I42-F150 VanDerWaalsContact N-O 3.09Å; I42-F150 PolarHBondContact O-N 3.22Å; W128-F150 HydrophobicContact CE3-CE2 4.4Å; W128-F150 HydrophobicContact CH2-CD2 4.24Å; W128-F150 HydrophobicContact CH2-CE2 4.11Å; W128-F150 HydrophobicContact CZ3-CD2 4.06Å; W128-F150 AromaticContact CZ3-CE2 3.52Å; W128-F150 HydrophobicContact CZ3-CE2 3.52Å; W128-F150 HydrophobicContact CZ3-CZ 4.37Å; L131-F150 HydrophobicContact CB-CD1 3.87Å; L131-F150 HydrophobicContact CB-CD2 4.46Å; L131-F150 HydrophobicContact CB-CE1 3.8Å; L131-F150 HydrophobicContact CB-CE2 4.46Å; L131-F150 HydrophobicContact CB-CG 4.19Å; L131-F150 HydrophobicContact CB-CZ 4.11Å; L131-F150 HydrophobicContact CD1-CB 4.42Å; L131-F150 HydrophobicContact CD1-CD2 4.13Å; L131-F150 HydrophobicContact CD1-CG 4.14Å; L131-F150 HydrophobicContact CD2-CB 4.09Å; L131-F150 HydrophobicContact CD2-CD1 4.15Å; L131-F150 HydrophobicContact CD2-CG 4.13Å; L131-F150 HydrophobicContact CG-CD1 4.44Å; L131-F150 HydrophobicContact CG-CG 4.39Å; L131-F150 WeakPolarHBondContact O-CE1 3.32Å; Q135-F150 HydrophobicContact CB-CD1 3.81Å; Q135-F150 HydrophobicContact CB-CE1 3.67Å; Q135-F150 HydrophobicContact CG-CD1 4.48Å; Q135-F150 WeakPolarHBondContact O-CE1 3.43Å; I143-F150 HydrophobicContact CD1-CE2 4.03Å; I143-F150 HydrophobicContact CD1-CZ 4Å; T148-F150 HydrophobicContact CG2-CD2 4.37Å; T148-F150 HydrophobicContact CG2-CE2 3.66Å; T148-F150 HydrophobicContact CG2-CZ 4.3Å; F150-I152 HydrophobicContact CB-CD1 4.04Å; F150-K160 WeakPolarHBondContact CA-O 3.27Å; F150-R161 HydrophobicContact CD1-CB 4.11Å; F150-R161 HydrophobicContact CD1-CG 4.37Å; F150-R161 HydrophobicContact CE1-CB 3.91Å; F150-R161 HydrophobicContact CE1-CG 3.9Å; F150-R161 HydrophobicContact CE2-CG 4.24Å; F150-R161 HydrophobicContact CZ-CB 4.36Å; F150-R161 HydrophobicContact CZ-CG 3.84Å
151L84.3Confident80.7Confident0 Ų040.1 Ų40.10%019%0.191CC..EExtended strand (participates in β ladder)trans-87.5122.7173.8-177.465.3000109V39 P158 V159 K160 F162 D174 I175 L178V39-L151 HydrophobicContact CG1-CD1 3.2Å; V39-L151 HydrophobicContact CG1-CG 4.3Å; L151-P158 CarbonylContact O-C 3.52Å; L151-P158 WeakPolarHBondContact O-CA 3.4Å; L151-V159 HydrophobicContact CB-CG2 4.14Å; L151-V159 HydrophobicContact CD2-CG2 3.9Å; L151-V159 HydrophobicContact CG-CG2 3.79Å; L151-V159 WeakPolarHBondContact O-CG2 3.24Å; L151-V159 PolarHBondContact O-N 3.03Å; L151-K160 HydrophobicContact CB-CB 4.26Å; L151-K160 HydrophobicContact CD2-CB 4.47Å; L151-K160 PolarHBondContact N-O 2.89Å; L151-F162 HydrophobicContact CB-CE2 3.9Å; L151-F162 HydrophobicContact CD2-CE2 4.29Å; L151-D174 HydrophobicContact CD2-CB 3.51Å; L151-I175 HydrophobicContact CD1-CD1 4.27Å; L151-I175 HydrophobicContact CD1-CG1 3.56Å; L151-I175 HydrophobicContact CD2-CG1 4.24Å; L151-L178 HydrophobicContact CD1-CD1 4.04Å; L151-L178 HydrophobicContact CD2-CD1 3.63Å; L151-L178 HydrophobicContact CG-CD1 3.63Å
152I85.2Confident80.8Confident1 Ų137.3 Ų37.31%0.00517%0.172CC..EExtended strand (participates in β ladder)trans-113.7132.1-177.4-45.4-55.8000109.3V10 S40 I42 L131 F150 Q157 P158V10-I152 HydrophobicContact CG1-CD1 3.98Å; V10-I152 HydrophobicContact CG1-CG1 4.36Å; V10-I152 HydrophobicContact CG1-CG2 4.18Å; V10-I152 HydrophobicContact CG2-CG2 3.65Å; S40-I152 PolarHBondContact N-O 2.84Å; S40-I152 VanDerWaalsContact O-CB 3.3Å; S40-I152 WeakPolarHBondContact O-CB 3.34Å; S40-I152 WeakPolarHBondContact O-CG1 3.38Å; S40-I152 PolarHBondContact O-N 2.9Å; I42-I152 HydrophobicContact CD1-CD1 4.5Å; I42-I152 HydrophobicContact CD1-CG1 4.29Å; L131-I152 HydrophobicContact CD2-CD1 3.68Å; F150-I152 HydrophobicContact CB-CD1 4.04Å; I152-Q157 VanDerWaalsContact CA-O 3.31Å; I152-Q157 WeakPolarHBondContact CA-O 3.46Å; I152-P158 HydrophobicContact CD1-CB 3.73Å; I152-P158 HydrophobicContact CD1-CG 3.96Å
153D83.7Confident80.5Confident34 Ų3434.3 Ų34.318%0.18216%0.163CC..  trans-80.9178.2174.973.821.8000113.4S155 G156 Q157 V159 L178D153-S155 PolarHBondContact O-N 3.26Å; D153-S155 WeakPolarHBondContact OD1-CA 3.16Å; D153-S155 WeakPolarHBondContact OD1-CB 3.46Å; D153-S155 PolarHBondContact OD1-N 3.49Å; D153-S155 PolarHBondContact OD1-OG 2.89Å; D153-S155 PolarHBondContact OD2-OG 2.79Å; D153-G156 PolarHBondContact O-N 3.48Å; D153-G156 PolarHBondContact OD1-N 3.34Å; D153-Q157 PolarHBondContact N-O 2.81Å; D153-Q157 PolarHBondContact OD1-N 3.32Å; D153-V159 HydrophobicContact CB-CG1 3.83Å; D153-L178 HydrophobicContact CB-CD1 4.49Å; D153-L178 HydrophobicContact CB-CD2 3.87Å
154R79.9Confident80Confident108 Ų10836.3 Ų36.341%0.40818%0.176SC..THydrogen-bonded Turntrans-64.4-19.3-179.1-75.3-164.4-94.9176.6-139.7114.7Y11 F36 M37 Q38 G156Y11-R154 PolarHBondContact OH-O 3.31Å; F36-R154 VanDerWaalsContact C-NH2 3.27Å; F36-R154 PolarHBondContact O-NH2 2.77Å; M37-R154 VanDerWaalsContact CB-NH2 3.25Å; M37-R154 VanDerWaalsContact CG-NH2 3.31Å; M37-R154 PolarHBondContact SD-NH1 2.78Å; M37-R154 PolarHBondContact SD-NH2 2.9Å; Q38-R154 WeakPolarHBondContact O-CG 3.25Å; R154-G156 VanDerWaalsContact C-N 3.27Å
155S85.1Confident79.9Confident68 Ų6839.7 Ų39.748%0.47620%0.198SC..THydrogen-bonded Turntrans-89.62.3176.270.80000112.5S9 D153 Q157S9-S155 WeakPolarHBondContact CB-O 3.2Å; D153-S155 PolarHBondContact O-N 3.26Å; D153-S155 WeakPolarHBondContact OD1-CA 3.16Å; D153-S155 WeakPolarHBondContact OD1-CB 3.46Å; D153-S155 PolarHBondContact OD1-N 3.49Å; D153-S155 PolarHBondContact OD1-OG 2.89Å; D153-S155 PolarHBondContact OD2-OG 2.79Å; S155-Q157 VanDerWaalsContact C-N 3.31Å; S155-Q157 WeakPolarHBondContact OG-CG 3.1Å
156G87.5Confident80.1Confident0 Ų037.2 Ų37.20%019%0.192CC..SBendtrans76.818.9-177.600000112.9V10 Y11 D153 R154V10-G156 PolarHBondContact N-O 2.81Å; Y11-G156 VanDerWaalsContact CE2-CA 3.46Å; Y11-G156 VanDerWaalsContact CE2-N 3.28Å; D153-G156 PolarHBondContact O-N 3.48Å; D153-G156 PolarHBondContact OD1-N 3.34Å; R154-G156 VanDerWaalsContact C-N 3.27Å
157Q90.8Very high80.3Confident59 Ų5938.8 Ų38.828%0.27620%0.201SC..  trans-87.8133.6174.7-62.4-48.7-56.700111.1S8 Y130 I152 D153 S155 V159S8-Q157 PolarHBondContact O-NE2 3.16Å; Y130-Q157 PolarHBondContact OH-OE1 3.46Å; I152-Q157 VanDerWaalsContact CA-O 3.31Å; I152-Q157 WeakPolarHBondContact CA-O 3.46Å; D153-Q157 PolarHBondContact N-O 2.81Å; D153-Q157 PolarHBondContact OD1-N 3.32Å; S155-Q157 VanDerWaalsContact C-N 3.31Å; S155-Q157 WeakPolarHBondContact OG-CG 3.1Å; Q157-V159 PolarHBondContact O-N 2.82Å
158P90.6Very high80.2Confident7 Ų736.4 Ų36.45%0.04519%0.191CC..EExtended strand (participates in β ladder)trans-70.8116.6168.4-1229.5000109V10 Y130 L131 R134 Q135 L151 I152V10-P158 HydrophobicContact CG1-CG 4.35Å; Y130-P158 HydrophobicContact CD1-CG 4.23Å; Y130-P158 HydrophobicContact CE1-CG 3.6Å; L131-P158 HydrophobicContact CD2-CB 3.98Å; L131-P158 HydrophobicContact CD2-CG 3.6Å; R134-P158 HydrophobicContact CB-CG 4.29Å; Q135-P158 HydrophobicContact CB-CB 4.44Å; Q135-P158 HydrophobicContact CG-CB 3.58Å; Q135-P158 WeakPolarHBondContact CG-O 3.06Å; Q135-P158 PolarHBondContact NE2-O 3.23Å; L151-P158 CarbonylContact O-C 3.52Å; L151-P158 WeakPolarHBondContact O-CA 3.4Å; I152-P158 HydrophobicContact CD1-CB 3.73Å; I152-P158 HydrophobicContact CD1-CG 3.96Å
159V89.9Confident79.3Confident54 Ų5438.7 Ų38.733%0.32720%0.201SC..EExtended strand (participates in β ladder)trans-102.6-21.9-176.4-61.60000113.5Q135 L151 D153 Q157 L178Q135-V159 PolarHBondContact NE2-O 2.79Å; Q135-V159 VanDerWaalsContact NE2-O 3.17Å; L151-V159 HydrophobicContact CB-CG2 4.14Å; L151-V159 HydrophobicContact CD2-CG2 3.9Å; L151-V159 HydrophobicContact CG-CG2 3.79Å; L151-V159 WeakPolarHBondContact O-CG2 3.24Å; L151-V159 PolarHBondContact O-N 3.03Å; D153-V159 HydrophobicContact CB-CG1 3.83Å; Q157-V159 PolarHBondContact O-N 2.82Å; V159-L178 HydrophobicContact CG1-CD2 4.43Å; V159-L178 HydrophobicContact CG2-CD1 3.69Å; V159-L178 HydrophobicContact CG2-CD2 4.22Å; V159-L178 HydrophobicContact CG2-CG 4.4Å
160K89.4Confident78.8Confident68 Ų6841.2 Ų41.230%0.29622%0.222SC..EExtended strand (participates in β ladder)trans-157.7144.2177.7-162.7162.9176.8-174.90112.4F150 L151 F162 D174F150-K160 WeakPolarHBondContact CA-O 3.27Å; L151-K160 HydrophobicContact CB-CB 4.26Å; L151-K160 HydrophobicContact CD2-CB 4.47Å; L151-K160 PolarHBondContact N-O 2.89Å; K160-F162 HydrophobicContact CB-CE2 3.94Å; K160-F162 HydrophobicContact CB-CZ 4.22Å; K160-F162 HydrophobicContact CD-CE1 3.97Å; K160-F162 HydrophobicContact CD-CE2 4.08Å; K160-F162 HydrophobicContact CD-CZ 3.52Å; K160-F162 HydrophobicContact CG-CD2 4.48Å; K160-F162 HydrophobicContact CG-CE1 4.37Å; K160-F162 HydrophobicContact CG-CE2 3.88Å; K160-F162 HydrophobicContact CG-CZ 3.83Å; K160-D174 HydrophobicContact CD-CB 4.42Å; K160-D174 WeakPolarHBondContact CD-OD1 3.33Å; K160-D174 IonicContact NZ-OD1 3.77Å; K160-D174 PolarHBondContact NZ-OD1 3.09Å; K160-D174 IonicContact NZ-OD2 3.07Å; K160-D174 PolarHBondContact NZ-OD2 2.9Å
161R86.6Confident78.2Confident36 Ų3641.2 Ų41.214%0.13622%0.222CC..EExtended strand (participates in β ladder)trans-108.7136.1168.7177.8-178.9176.7179-3.2110.4Q135 G136 S141 F142 T148 K149 F150Q135-R161 HydrophobicContact CB-CB 4.02Å; Q135-R161 WeakPolarHBondContact O-CD 3.45Å; G136-R161 WeakPolarHBondContact O-CD 3.07Å; S141-R161 PolarHBondContact O-NH1 3.23Å; F142-R161 PolarHBondContact O-NH2 2.87Å; T148-R161 HydrophobicContact CG2-CG 3.95Å; K149-R161 CarbonylContact O-C 3.12Å; K149-R161 VanDerWaalsContact O-CA 3.32Å; K149-R161 WeakPolarHBondContact O-CA 3.43Å; F150-R161 HydrophobicContact CD1-CB 4.11Å; F150-R161 HydrophobicContact CD1-CG 4.37Å; F150-R161 HydrophobicContact CE1-CB 3.91Å; F150-R161 HydrophobicContact CE1-CG 3.9Å; F150-R161 HydrophobicContact CE2-CG 4.24Å; F150-R161 HydrophobicContact CZ-CB 4.36Å; F150-R161 HydrophobicContact CZ-CG 3.84Å
162F81.5Confident77.4Confident1 Ų141.2 Ų41.20%0.00422%0.222CC..EExtended strand (participates in β ladder)trans-115134.5174.8-58.8-93.4000110T148 K149 L151 K160 E166 M171 D174T148-F162 WeakPolarHBondContact CA-O 3.49Å; K149-F162 HydrophobicContact CB-CB 4.11Å; K149-F162 HydrophobicContact CB-CD2 4.43Å; K149-F162 HydrophobicContact CD-CB 4.46Å; K149-F162 HydrophobicContact CG-CB 4.31Å; K149-F162 PolarHBondContact N-O 3.46Å; K149-F162 PolarHBondContact O-N 3.22Å; L151-F162 HydrophobicContact CB-CE2 3.9Å; L151-F162 HydrophobicContact CD2-CE2 4.29Å; K160-F162 HydrophobicContact CB-CE2 3.94Å; K160-F162 HydrophobicContact CB-CZ 4.22Å; K160-F162 HydrophobicContact CD-CE1 3.97Å; K160-F162 HydrophobicContact CD-CE2 4.08Å; K160-F162 HydrophobicContact CD-CZ 3.52Å; K160-F162 HydrophobicContact CG-CD2 4.48Å; K160-F162 HydrophobicContact CG-CE1 4.37Å; K160-F162 HydrophobicContact CG-CE2 3.88Å; K160-F162 HydrophobicContact CG-CZ 3.83Å; F162-E166 HydrophobicContact CB-CB 4.14Å; F162-E166 HydrophobicContact CD1-CB 4.45Å; F162-E166 VanDerWaalsContact CD1-OE2 3.31Å; F162-E166 WeakPolarHBondContact CD1-OE2 3.47Å; F162-M171 HydrophobicContact CD1-CG 3.64Å; F162-M171 HydrophobicContact CD2-CG 3.82Å; F162-M171 HydrophobicContact CD2-SD 3.84Å; F162-M171 HydrophobicContact CE1-CB 4.02Å; F162-M171 HydrophobicContact CE1-CG 3.56Å; F162-M171 HydrophobicContact CE2-CB 4.14Å; F162-M171 HydrophobicContact CE2-CG 3.74Å; F162-M171 HydrophobicContact CE2-SD 4.11Å; F162-M171 HydrophobicContact CG-CG 3.77Å; F162-M171 HydrophobicContact CG-SD 4.06Å; F162-M171 HydrophobicContact CZ-CB 3.76Å; F162-M171 HydrophobicContact CZ-CG 3.59Å; F162-D174 HydrophobicContact CZ-CB 4.43Å; F162-D174 WeakPolarHBondContact CZ-OD2 3.25Å
163G76.2Confident76.8Confident18 Ų1848.4 Ų48.419%0.18625%0.253CS..  trans-67.5169.6176.900000113.8N165 E166G163-N165 VanDerWaalsContact C-N 3.26Å; G163-N165 PolarHBondContact O-N 3.04Å; G163-E166 PolarHBondContact N-OE1 2.79Å; G163-E166 PolarHBondContact O-N 2.82Å
164P67.7Low76.6Confident41 Ų4148.7 Ų48.727%0.26626%0.255SS..THydrogen-bonded Turntrans-57.4-39179.524.3-36.4000113W145 N146W145-P164 HydrophobicContact CB-CB 4.06Å; W145-P164 HydrophobicContact CB-CG 4.03Å; W145-P164 HydrophobicContact CG-CB 4.41Å; N146-P164 WeakPolarHBondContact O-CB 3.41Å
165N67Low76.1Confident150 Ų15043.6 Ų43.680%0.80224%0.235SC*.THydrogen-bonded Turntrans-90.3-5.5-175.3-62.5-27.1000113.3G163 D167G163-N165 VanDerWaalsContact C-N 3.26Å; G163-N165 PolarHBondContact O-N 3.04Å; N165-D167 PolarHBondContact O-N 3.16Å
166E67.3Low75.3Confident79 Ų7940.9 Ų40.937%0.36922%0.216SC..SBendtrans-74.3121.6176.2-74.4-178.7-105.700109.7K149 F162 G163K149-E166 PolarHBondContact NZ-O 3.3Å; F162-E166 HydrophobicContact CB-CB 4.14Å; F162-E166 HydrophobicContact CD1-CB 4.45Å; F162-E166 VanDerWaalsContact CD1-OE2 3.31Å; F162-E166 WeakPolarHBondContact CD1-OE2 3.47Å; G163-E166 PolarHBondContact N-OE1 2.79Å; G163-E166 PolarHBondContact O-N 2.82Å
167D64Low74.7Confident35 Ų3548.2 Ų48.219%0.18725%0.25CC..  trans-63.2140.6-180-163.4-70.5000110N165 E169 A170 K356N165-D167 PolarHBondContact O-N 3.16Å; D167-E169 PolarHBondContact O-N 3.06Å; D167-E169 VanDerWaalsContact O-N 3.09Å; D167-E169 WeakPolarHBondContact OD1-CB 3.28Å; D167-E169 WeakPolarHBondContact OD1-CG 3.34Å; D167-E169 PolarHBondContact OD1-N 2.69Å; D167-A170 VanDerWaalsContact O-CB 3.27Å; D167-A170 WeakPolarHBondContact O-CB 3.27Å; D167-A170 PolarHBondContact O-N 3.3Å; D167-K356 WeakPolarHBondContact OD2-CE 3.46Å; D167-K356 IonicContact OD2-NZ 3.38Å; D167-K356 PolarHBondContact OD2-NZ 3.42Å
168P63.1Low73.9Confident5 Ų547.4 Ų47.43%0.03225%0.247CC..G310 helixtrans-49.5-32170.6-28.135.3000114.9I75 V79 I82 A170 M171I75-P168 HydrophobicContact CD1-CB 3.41Å; I75-P168 VanDerWaalsContact CD1-CB 3.41Å; I75-P168 WeakPolarHBondContact CD1-O 3.33Å; I75-P168 HydrophobicContact CG2-CB 4.23Å; V79-P168 HydrophobicContact CG2-CB 4.14Å; V79-P168 HydrophobicContact CG2-CG 3.86Å; I82-P168 HydrophobicContact CD1-CG 3.98Å; P168-A170 VanDerWaalsContact C-N 3.26Å; P168-A170 PolarHBondContact O-N 3.09Å; P168-M171 HydrophobicContact CB-CE 3.65Å; P168-M171 HydrophobicContact CG-CE 4.42Å; P168-M171 VanDerWaalsContact O-CB 3.32Å; P168-M171 WeakPolarHBondContact O-CB 3.25Å; P168-M171 PolarHBondContact O-N 3.25Å; P168-M171 VanDerWaalsContact O-N 3.09Å
169E57.7Low72.8Confident49 Ų4947.1 Ų47.123%0.22925%0.245CC..G310 helixtrans-62.1-29.2174.2-68.8-173.7-169.200113.6D167 M171 E172 K335D167-E169 PolarHBondContact O-N 3.06Å; D167-E169 VanDerWaalsContact O-N 3.09Å; D167-E169 WeakPolarHBondContact OD1-CB 3.28Å; D167-E169 WeakPolarHBondContact OD1-CG 3.34Å; D167-E169 PolarHBondContact OD1-N 2.69Å; E169-M171 PolarHBondContact O-N 3.09Å; E169-E172 WeakPolarHBondContact O-CB 3.19Å; E169-E172 PolarHBondContact O-N 2.75Å; E169-E172 VanDerWaalsContact O-N 3.09Å; E169-K335 VanDerWaalsContact CD-CD 3.49Å; E169-K335 HydrophobicContact CG-CD 4.08Å; E169-K335 WeakPolarHBondContact OE1-CB 3.31Å; E169-K335 WeakPolarHBondContact OE2-CD 3.31Å
170A70Confident71.7Confident52 Ų5246.9 Ų46.943%0.4325%0.253SS..G310 helixtrans-65.5-22.9176.100000111.9D167 P168 E172D167-A170 VanDerWaalsContact O-CB 3.27Å; D167-A170 WeakPolarHBondContact O-CB 3.27Å; D167-A170 PolarHBondContact O-N 3.3Å; P168-A170 VanDerWaalsContact C-N 3.26Å; P168-A170 PolarHBondContact O-N 3.09Å; A170-E172 VanDerWaalsContact C-N 3.32Å
171M74.6Confident70.1Confident0 Ų046.2 Ų46.20%026%0.255CS..G310 helixtrans-80-14.7177-46.5-175-6900112.4L41 I75 K149 F162 P168 E169 K173 D174 I175L41-M171 HydrophobicContact CD1-SD 3.91Å; L41-M171 HydrophobicContact CD2-CE 3.62Å; L41-M171 HydrophobicContact CD2-SD 4.01Å; I75-M171 HydrophobicContact CD1-CE 4.1Å; K149-M171 HydrophobicContact CB-SD 4.28Å; K149-M171 HydrophobicContact CD-CE 3.96Å; K149-M171 HydrophobicContact CD-SD 3.53Å; K149-M171 VanDerWaalsContact CD-SD 3.53Å; K149-M171 HydrophobicContact CG-SD 4.48Å; F162-M171 HydrophobicContact CD1-CG 3.64Å; F162-M171 HydrophobicContact CD2-CG 3.82Å; F162-M171 HydrophobicContact CD2-SD 3.84Å; F162-M171 HydrophobicContact CE1-CB 4.02Å; F162-M171 HydrophobicContact CE1-CG 3.56Å; F162-M171 HydrophobicContact CE2-CB 4.14Å; F162-M171 HydrophobicContact CE2-CG 3.74Å; F162-M171 HydrophobicContact CE2-SD 4.11Å; F162-M171 HydrophobicContact CG-CG 3.77Å; F162-M171 HydrophobicContact CG-SD 4.06Å; F162-M171 HydrophobicContact CZ-CB 3.76Å; F162-M171 HydrophobicContact CZ-CG 3.59Å; P168-M171 HydrophobicContact CB-CE 3.65Å; P168-M171 HydrophobicContact CG-CE 4.42Å; P168-M171 VanDerWaalsContact O-CB 3.32Å; P168-M171 WeakPolarHBondContact O-CB 3.25Å; P168-M171 PolarHBondContact O-N 3.25Å; P168-M171 VanDerWaalsContact O-N 3.09Å; E169-M171 PolarHBondContact O-N 3.09Å; M171-K173 VanDerWaalsContact C-N 3.32Å; M171-K173 PolarHBondContact O-N 2.59Å; M171-D174 PolarHBondContact O-N 3.41Å; M171-I175 HydrophobicContact CB-CD1 3.71Å; M171-I175 HydrophobicContact CB-CG1 4.44Å; M171-I175 WeakPolarHBondContact O-CG1 3.12Å; M171-I175 PolarHBondContact O-N 2.79Å
172E68Low68.2Low1 Ų146.7 Ų46.71%0.00526%0.263CS..Hα-helixtrans-55.8-47.2-171.4-167.9164.5179.900112.2Y68 Y71 E169 A170 D174 I175 V176 L330 K335Y68-E172 HydrophobicContact CE2-CG 4.45Å; Y68-E172 PolarHBondContact OH-OE1 2.85Å; Y71-E172 HydrophobicContact CE1-CB 4.28Å; Y71-E172 HydrophobicContact CE1-CG 3.53Å; Y71-E172 HydrophobicContact CE2-CB 4.34Å; Y71-E172 HydrophobicContact CE2-CG 4.3Å; Y71-E172 VanDerWaalsContact CZ-CG 3.42Å; Y71-E172 WeakPolarHBondContact OH-CA 3.42Å; Y71-E172 WeakPolarHBondContact OH-CB 3.5Å; Y71-E172 VanDerWaalsContact OH-CG 3.24Å; Y71-E172 WeakPolarHBondContact OH-CG 3.42Å; E169-E172 WeakPolarHBondContact O-CB 3.19Å; E169-E172 PolarHBondContact O-N 2.75Å; E169-E172 VanDerWaalsContact O-N 3.09Å; A170-E172 VanDerWaalsContact C-N 3.32Å; E172-D174 VanDerWaalsContact C-N 3.34Å; E172-D174 PolarHBondContact O-N 2.94Å; E172-I175 PolarHBondContact O-N 3.5Å; E172-V176 HydrophobicContact CG-CG2 4.3Å; E172-V176 WeakPolarHBondContact O-CB 3.44Å; E172-V176 VanDerWaalsContact O-CG2 3.27Å; E172-V176 WeakPolarHBondContact O-CG2 3.47Å; E172-V176 PolarHBondContact O-N 2.75Å; E172-L330 HydrophobicContact CB-CD1 3.7Å; E172-L330 HydrophobicContact CG-CB 3.91Å; E172-L330 HydrophobicContact CG-CD1 3.59Å; E172-L330 HydrophobicContact CG-CG 4.33Å; E172-L330 WeakPolarHBondContact OE1-CB 3.43Å; E172-K335 WeakPolarHBondContact OE2-CE 3.45Å; E172-K335 IonicContact OE2-NZ 3.33Å; E172-K335 PolarHBondContact OE2-NZ 3.16Å
173K72Confident66.5Low152 Ų15249.8 Ų49.866%0.66128%0.282SS*.Hα-helixtrans-62.4-44.8-177-174.1-177.2174.3-176.50111.1M171 H177 L330M171-K173 VanDerWaalsContact C-N 3.32Å; M171-K173 PolarHBondContact O-N 2.59Å; K173-H177 WeakPolarHBondContact O-CB 3.35Å; K173-H177 PolarHBondContact O-N 3Å; K173-L330 HydrophobicContact CB-CD1 3.86Å
174D78.9Confident65.1Low40 Ų4053.6 Ų53.621%0.21431%0.306CS..Hα-helixtrans-67.7-39.8-179.9-52.7-74.1000110.6L151 K160 F162 M171 E172 H177 L178L151-D174 HydrophobicContact CD2-CB 3.51Å; K160-D174 HydrophobicContact CD-CB 4.42Å; K160-D174 WeakPolarHBondContact CD-OD1 3.33Å; K160-D174 IonicContact NZ-OD1 3.77Å; K160-D174 PolarHBondContact NZ-OD1 3.09Å; K160-D174 IonicContact NZ-OD2 3.07Å; K160-D174 PolarHBondContact NZ-OD2 2.9Å; F162-D174 HydrophobicContact CZ-CB 4.43Å; F162-D174 WeakPolarHBondContact CZ-OD2 3.25Å; M171-D174 PolarHBondContact O-N 3.41Å; E172-D174 VanDerWaalsContact C-N 3.34Å; E172-D174 PolarHBondContact O-N 2.94Å; D174-H177 PolarHBondContact O-N 2.82Å; D174-L178 WeakPolarHBondContact O-CG 3.37Å; D174-L178 PolarHBondContact O-N 2.8Å
175I70.1Confident64Low0 Ų053.1 Ų53.10%031%0.308CS..Hα-helixtrans-66.8-46.7177.2-67160.6000111V39 M65 Y71 L151 M171 E172 H177 L178 L179V39-I175 HydrophobicContact CG1-CG1 4.2Å; V39-I175 HydrophobicContact CG1-CG2 4.33Å; M65-I175 HydrophobicContact CE-CD1 4.22Å; M65-I175 HydrophobicContact SD-CD1 4.08Å; M65-I175 HydrophobicContact SD-CG2 4.46Å; Y71-I175 HydrophobicContact CD2-CB 4.09Å; Y71-I175 HydrophobicContact CD2-CD1 3.72Å; Y71-I175 HydrophobicContact CD2-CG1 4.47Å; Y71-I175 HydrophobicContact CD2-CG2 3.68Å; Y71-I175 HydrophobicContact CE2-CB 4.28Å; Y71-I175 HydrophobicContact CE2-CD1 3.53Å; Y71-I175 HydrophobicContact CE2-CG1 4.49Å; Y71-I175 HydrophobicContact CE2-CG2 4.37Å; Y71-I175 HydrophobicContact CG-CG2 4.41Å; L151-I175 HydrophobicContact CD1-CD1 4.27Å; L151-I175 HydrophobicContact CD1-CG1 3.56Å; L151-I175 HydrophobicContact CD2-CG1 4.24Å; M171-I175 HydrophobicContact CB-CD1 3.71Å; M171-I175 HydrophobicContact CB-CG1 4.44Å; M171-I175 WeakPolarHBondContact O-CG1 3.12Å; M171-I175 PolarHBondContact O-N 2.79Å; E172-I175 PolarHBondContact O-N 3.5Å; I175-H177 VanDerWaalsContact C-N 3.26Å; I175-H177 PolarHBondContact O-N 2.87Å; I175-L178 PolarHBondContact O-N 3.19Å; I175-L179 HydrophobicContact CG2-CD1 3.65Å; I175-L179 HydrophobicContact CG2-CG 3.94Å; I175-L179 WeakPolarHBondContact O-CA 3.19Å; I175-L179 WeakPolarHBondContact O-CB 3.48Å; I175-L179 WeakPolarHBondContact O-CG 3.41Å; I175-L179 PolarHBondContact O-N 3.28Å
176V67.9Low62.9Low11 Ų1150.8 Ų50.87%0.06729%0.293CS..Hα-helixtrans-57.6-41.9176.31670000111.2Y68 E172 L179 G180 V181 L330Y68-V176 HydrophobicContact CD2-CG2 3.66Å; Y68-V176 HydrophobicContact CE2-CG2 3.55Å; E172-V176 HydrophobicContact CG-CG2 4.3Å; E172-V176 WeakPolarHBondContact O-CB 3.44Å; E172-V176 VanDerWaalsContact O-CG2 3.27Å; E172-V176 WeakPolarHBondContact O-CG2 3.47Å; E172-V176 PolarHBondContact O-N 2.75Å; V176-L179 CarbonylContact O-C 3.54Å; V176-L179 WeakPolarHBondContact O-CA 3.5Å; V176-L179 PolarHBondContact O-N 2.8Å; V176-G180 PolarHBondContact O-N 2.83Å; V176-G180 VanDerWaalsContact O-N 3.1Å; V176-V181 HydrophobicContact CG1-CB 4.31Å; V176-V181 PolarHBondContact O-N 3.18Å; V176-L330 HydrophobicContact CG1-CD2 4.46Å; V176-L330 HydrophobicContact CG2-CD2 4.47Å
177H75.6Confident61.8Low155 Ų15551 Ų5172%0.71830%0.296SS*.Hα-helixtrans-62.6-49.7177.2-178.668.1000112.1K173 D174 I175 L179 G180K173-H177 WeakPolarHBondContact O-CB 3.35Å; K173-H177 PolarHBondContact O-N 3Å; D174-H177 PolarHBondContact O-N 2.82Å; I175-H177 VanDerWaalsContact C-N 3.26Å; I175-H177 PolarHBondContact O-N 2.87Å; H177-L179 PolarHBondContact O-N 3.49Å; H177-G180 PolarHBondContact O-N 2.85Å
178L73.2Confident60.7Low41 Ų4156.2 Ų56.222%0.21532%0.319CS..Hα-helixtrans-62.9-30.9173.3-68.5176.8000112.5V39 L151 D153 V159 D174 I175 G180V39-L178 HydrophobicContact CG1-CD1 4.1Å; V39-L178 HydrophobicContact CG2-CB 3.68Å; V39-L178 HydrophobicContact CG2-CD1 4.13Å; L151-L178 HydrophobicContact CD1-CD1 4.04Å; L151-L178 HydrophobicContact CD2-CD1 3.63Å; L151-L178 HydrophobicContact CG-CD1 3.63Å; D153-L178 HydrophobicContact CB-CD1 4.49Å; D153-L178 HydrophobicContact CB-CD2 3.87Å; V159-L178 HydrophobicContact CG1-CD2 4.43Å; V159-L178 HydrophobicContact CG2-CD1 3.69Å; V159-L178 HydrophobicContact CG2-CD2 4.22Å; V159-L178 HydrophobicContact CG2-CG 4.4Å; D174-L178 WeakPolarHBondContact O-CG 3.37Å; D174-L178 PolarHBondContact O-N 2.8Å; I175-L178 PolarHBondContact O-N 3.19Å; L178-G180 PolarHBondContact O-N 3.16Å
179L67.5Low59.9Low2 Ų262.7 Ų62.71%0.0135%0.349CS..THydrogen-bonded Turntrans-76.7-3.4178.6-74.7179.1000112.4M37 V39 I175 V176 H177 V181M37-L179 HydrophobicContact CB-CD2 4.03Å; M37-L179 WeakPolarHBondContact CE-O 3.4Å; M37-L179 VanDerWaalsContact CG-CA 3.46Å; M37-L179 HydrophobicContact CG-CB 4.37Å; M37-L179 HydrophobicContact CG-CD2 4.13Å; M37-L179 WeakPolarHBondContact CG-O 3.27Å; M37-L179 WeakPolarHBondContact O-CD2 3.32Å; V39-L179 HydrophobicContact CB-CD2 4.49Å; V39-L179 HydrophobicContact CG2-CD2 3.75Å; V39-L179 HydrophobicContact CG2-CG 3.94Å; I175-L179 HydrophobicContact CG2-CD1 3.65Å; I175-L179 HydrophobicContact CG2-CG 3.94Å; I175-L179 WeakPolarHBondContact O-CA 3.19Å; I175-L179 WeakPolarHBondContact O-CB 3.48Å; I175-L179 WeakPolarHBondContact O-CG 3.41Å; I175-L179 PolarHBondContact O-N 3.28Å; V176-L179 CarbonylContact O-C 3.54Å; V176-L179 WeakPolarHBondContact O-CA 3.5Å; V176-L179 PolarHBondContact O-N 2.8Å; H177-L179 PolarHBondContact O-N 3.49Å; L179-V181 HydrophobicContact CB-CG2 3.78Å; L179-V181 PolarHBondContact O-N 3.02Å
180G68.2Low59.5Low48 Ų4864.3 Ų64.350%0.49536%0.358SS..THydrogen-bonded Turntrans52.524.6-179.800000114V176 H177 L178 P182V176-G180 PolarHBondContact O-N 2.83Å; V176-G180 VanDerWaalsContact O-N 3.1Å; H177-G180 PolarHBondContact O-N 2.85Å; L178-G180 PolarHBondContact O-N 3.16Å; G180-P182 WeakPolarHBondContact O-CD 3.35Å
181V55.4Low58.2Low54 Ų5467.7 Ų67.733%0.32737%0.365SS..PPolyproline II helixtrans-79.4121-179.4-176.60000106.8V176 L179 T183V176-V181 HydrophobicContact CG1-CB 4.31Å; V176-V181 PolarHBondContact O-N 3.18Å; L179-V181 HydrophobicContact CB-CG2 3.78Å; L179-V181 PolarHBondContact O-N 3.02Å; V181-T183 PolarHBondContact O-N 3.48Å
182P46.6Very low56.8Low46 Ų4672.6 Ų72.630%0.29939%0.391SS..PPolyproline II helixtrans-58.7128.4178.921.5-30.6000109.4G180 E186 L187 I190G180-P182 WeakPolarHBondContact O-CD 3.35Å; P182-E186 WeakPolarHBondContact CA-OE2 3.24Å; P182-E186 HydrophobicContact CB-CB 3.74Å; P182-L187 HydrophobicContact CB-CD2 4.36Å; P182-L187 HydrophobicContact CB-CG 4.14Å; P182-L187 HydrophobicContact CG-CD2 3.83Å; P182-L187 HydrophobicContact CG-CG 4.04Å; P182-I190 HydrophobicContact CB-CD1 4.06Å; P182-I190 HydrophobicContact CG-CD1 4.33Å
183T46.6Very low55.8Low67 Ų6775 Ų7541%0.41141%0.411SS..PPolyproline II helixtrans-60.6160.8172.857.50000110.2V181 G185 E186 L187V181-T183 PolarHBondContact O-N 3.48Å; T183-G185 PolarHBondContact O-N 3.36Å; T183-G185 VanDerWaalsContact O-N 3.07Å; T183-E186 PolarHBondContact N-OE2 3.18Å; T183-E186 WeakPolarHBondContact O-CA 3.37Å; T183-E186 WeakPolarHBondContact O-CB 3.32Å; T183-E186 PolarHBondContact O-N 3.19Å; T183-E186 WeakPolarHBondContact OG1-CG 3.32Å; T183-E186 PolarHBondContact OG1-OE2 3.38Å; T183-L187 PolarHBondContact O-N 3.34Å
184S45.8Very low54.8Low98 Ų9872.3 Ų72.369%0.68540%0.403SS*.Hα-helixtrans-56.2-31.2-177.864.70000113.3Q188S184-Q188 WeakPolarHBondContact O-CG 3.2Å; S184-Q188 PolarHBondContact O-N 3.18Å; S184-Q188 VanDerWaalsContact O-N 3.08Å
185G45.5Very low53.1Low31 Ų3176 Ų7632%0.3242%0.42SS..Hα-helixtrans-69.5-39.417300000113.2T183 Q188 H189T183-G185 PolarHBondContact O-N 3.36Å; T183-G185 VanDerWaalsContact O-N 3.07Å; G185-Q188 PolarHBondContact O-N 3.27Å; G185-H189 PolarHBondContact O-N 3.49Å
186E43.6Very low52.2Low101 Ų10179.8 Ų79.847%0.47244%0.443SS..Hα-helixtrans-68.9-36.1174.4-71.6166.513800111.7P182 T183 H189 I190P182-E186 WeakPolarHBondContact CA-OE2 3.24Å; P182-E186 HydrophobicContact CB-CB 3.74Å; T183-E186 PolarHBondContact N-OE2 3.18Å; T183-E186 WeakPolarHBondContact O-CA 3.37Å; T183-E186 WeakPolarHBondContact O-CB 3.32Å; T183-E186 PolarHBondContact O-N 3.19Å; T183-E186 WeakPolarHBondContact OG1-CG 3.32Å; T183-E186 PolarHBondContact OG1-OE2 3.38Å; E186-H189 PolarHBondContact O-N 3.48Å; E186-I190 WeakPolarHBondContact O-CB 3.03Å; E186-I190 VanDerWaalsContact O-CG1 3.25Å; E186-I190 WeakPolarHBondContact O-CG1 3.45Å; E186-I190 PolarHBondContact O-N 3.17Å
187L43.6Very low51.1Low83 Ų8380.7 Ų80.744%0.43545%0.452SS..Hα-helixtrans-62.2-42.5171.9-77.7168.7000111.6P182 T183 H189 I190 Q191P182-L187 HydrophobicContact CB-CD2 4.36Å; P182-L187 HydrophobicContact CB-CG 4.14Å; P182-L187 HydrophobicContact CG-CD2 3.83Å; P182-L187 HydrophobicContact CG-CG 4.04Å; T183-L187 PolarHBondContact O-N 3.34Å; L187-H189 VanDerWaalsContact C-N 3.32Å; L187-H189 PolarHBondContact O-N 3.24Å; L187-I190 PolarHBondContact O-N 3.31Å; L187-Q191 WeakPolarHBondContact O-CB 3.33Å; L187-Q191 PolarHBondContact O-N 3.31Å
188Q40.8Very low49.7Very low145 Ų14579.1 Ų79.168%0.67845%0.449SS*.Hα-helixtrans-61.7-40.4173.5-77.9178.6-10.700111.9S184 G185 Q191 L192S184-Q188 WeakPolarHBondContact O-CG 3.2Å; S184-Q188 PolarHBondContact O-N 3.18Å; S184-Q188 VanDerWaalsContact O-N 3.08Å; G185-Q188 PolarHBondContact O-N 3.27Å; Q188-Q191 PolarHBondContact O-N 3.21Å; Q188-L192 WeakPolarHBondContact O-CB 3.15Å; Q188-L192 PolarHBondContact O-N 3.32Å
189H46.9Very low48.6Very low141 Ų14183.4 Ų83.465%0.65348%0.476SS*.Hα-helixtrans-67.3-40.1175-94.6-94.5000113G185 E186 L187 A193G185-H189 PolarHBondContact O-N 3.49Å; E186-H189 PolarHBondContact O-N 3.48Å; L187-H189 VanDerWaalsContact C-N 3.32Å; L187-H189 PolarHBondContact O-N 3.24Å; H189-A193 WeakPolarHBondContact O-CB 3.4Å; H189-A193 PolarHBondContact O-N 3.22Å
190I49Very low47.5Very low83 Ų8386.6 Ų86.643%0.42650%0.498SS..Hα-helixtrans-65.7-43175.6-69.6164.3000109.9P182 E186 L187 A193 I194P182-I190 HydrophobicContact CB-CD1 4.06Å; P182-I190 HydrophobicContact CG-CD1 4.33Å; E186-I190 WeakPolarHBondContact O-CB 3.03Å; E186-I190 VanDerWaalsContact O-CG1 3.25Å; E186-I190 WeakPolarHBondContact O-CG1 3.45Å; E186-I190 PolarHBondContact O-N 3.17Å; L187-I190 PolarHBondContact O-N 3.31Å; I190-A193 PolarHBondContact O-N 2.91Å; I190-I194 HydrophobicContact CG2-CD1 3.74Å; I190-I194 HydrophobicContact CG2-CG1 4.44Å; I190-I194 WeakPolarHBondContact O-CB 3.34Å; I190-I194 WeakPolarHBondContact O-CD1 3.48Å; I190-I194 WeakPolarHBondContact O-CG1 3.48Å; I190-I194 PolarHBondContact O-N 2.86Å
191Q41.8Very low46Very low122 Ų12287.6 Ų87.657%0.5751%0.509SS*.Hα-helixtrans-70.4-39.2-179.7-156.4138.88.100111.5L187 Q188 I194 M195L187-Q191 WeakPolarHBondContact O-CB 3.33Å; L187-Q191 PolarHBondContact O-N 3.31Å; Q188-Q191 PolarHBondContact O-N 3.21Å; Q191-I194 PolarHBondContact O-N 2.71Å; Q191-M195 WeakPolarHBondContact O-CB 3.33Å; Q191-M195 WeakPolarHBondContact O-CG 3.32Å; Q191-M195 PolarHBondContact O-N 3.27Å
192L45.8Very low45.1Very low104 Ų10494.8 Ų94.855%0.54553%0.531SS..Hα-helixtrans-64.2-42.4170.7-174.265.4000111Q188 M195 T196Q188-L192 WeakPolarHBondContact O-CB 3.15Å; Q188-L192 PolarHBondContact O-N 3.32Å; L192-M195 CarbonylContact O-C 3.57Å; L192-M195 PolarHBondContact O-N 3.33Å; L192-T196 PolarHBondContact O-N 3.38Å; L192-T196 PolarHBondContact O-OG1 3.05Å
193A47.7Very low44.4Very low52 Ų5297.7 Ų97.743%0.4355%0.552SS.*Hα-helixtrans-62-45.4176.600000111.7H189 I190 T196 A197H189-A193 WeakPolarHBondContact O-CB 3.4Å; H189-A193 PolarHBondContact O-N 3.22Å; I190-A193 PolarHBondContact O-N 2.91Å; A193-T196 VanDerWaalsContact CA-OG1 3.25Å; A193-T196 WeakPolarHBondContact CA-OG1 3.44Å; A193-T196 PolarHBondContact O-N 3.38Å; A193-T196 PolarHBondContact O-OG1 3.21Å; A193-A197 WeakPolarHBondContact O-CB 3.43Å; A193-A197 PolarHBondContact O-N 3.43Å
194I49.6Very low43.9Very low95 Ų95100.3 Ų100.349%0.48757%0.568SS.*Hα-helixtrans-61.7-43.4174.3-69.3165.4000110.5I190 Q191 A197 N198I190-I194 HydrophobicContact CG2-CD1 3.74Å; I190-I194 HydrophobicContact CG2-CG1 4.44Å; I190-I194 WeakPolarHBondContact O-CB 3.34Å; I190-I194 WeakPolarHBondContact O-CD1 3.48Å; I190-I194 WeakPolarHBondContact O-CG1 3.48Å; I190-I194 PolarHBondContact O-N 2.86Å; Q191-I194 PolarHBondContact O-N 2.71Å; I194-A197 PolarHBondContact O-N 2.94Å; I194-N198 PolarHBondContact O-N 3.25Å
195M44.8Very low43.1Very low116 Ų116100.1 Ų100.157%0.57157%0.572SS**Hα-helixtrans-64.3-44.8175.3-75.8-158.9-170.600112Q191 L192 A197 N198 V199Q191-M195 WeakPolarHBondContact O-CB 3.33Å; Q191-M195 WeakPolarHBondContact O-CG 3.32Å; Q191-M195 PolarHBondContact O-N 3.27Å; L192-M195 CarbonylContact O-C 3.57Å; L192-M195 PolarHBondContact O-N 3.33Å; M195-A197 VanDerWaalsContact C-N 3.32Å; M195-A197 PolarHBondContact O-N 3.06Å; M195-N198 PolarHBondContact O-N 3.32Å; M195-V199 VanDerWaalsContact O-CG2 3.27Å; M195-V199 WeakPolarHBondContact O-CG2 3.33Å; M195-V199 PolarHBondContact O-N 3.07Å
196T51.2Low42.3Very low80 Ų80101.2 Ų101.249%0.49158%0.583SS.*Hα-helixtrans-65.6-33.9176.744.60000112.6L192 A193 V199 S200L192-T196 PolarHBondContact O-N 3.38Å; L192-T196 PolarHBondContact O-OG1 3.05Å; A193-T196 VanDerWaalsContact CA-OG1 3.25Å; A193-T196 WeakPolarHBondContact CA-OG1 3.44Å; A193-T196 PolarHBondContact O-N 3.38Å; A193-T196 PolarHBondContact O-OG1 3.21Å; T196-V199 PolarHBondContact O-N 3.37Å; T196-S200 VanDerWaalsContact O-CB 3.31Å; T196-S200 WeakPolarHBondContact O-CB 3.24Å; T196-S200 PolarHBondContact O-N 2.93Å; T196-S200 PolarHBondContact O-OG 2.95Å
197A44.9Very low41.6Very low30 Ų30105.1 Ų105.125%0.24860%0.601CS.*Hα-helixtrans-63.3-45173.800000110.9A193 I194 M195 S200A193-A197 WeakPolarHBondContact O-CB 3.43Å; A193-A197 PolarHBondContact O-N 3.43Å; I194-A197 PolarHBondContact O-N 2.94Å; M195-A197 VanDerWaalsContact C-N 3.32Å; M195-A197 PolarHBondContact O-N 3.06Å; A197-S200 PolarHBondContact O-N 3.1Å; A197-S200 PolarHBondContact O-OG 3.36Å
198N44.8Very low40.8Very low123 Ų123109.7 Ų109.766%0.65863%0.625SS**Hα-helixtrans-66.4-35.8176.6-74.4-20.4000113.2I194 M195I194-N198 PolarHBondContact O-N 3.25Å; M195-N198 PolarHBondContact O-N 3.32Å
199V49.6Very low40.1Very low131 Ų131110.6 Ų110.679%0.79463%0.633SS**Hα-helixtrans-73.8-28.1177.3174.30000112.1M195 T196 G201M195-V199 VanDerWaalsContact O-CG2 3.27Å; M195-V199 WeakPolarHBondContact O-CG2 3.33Å; M195-V199 PolarHBondContact O-N 3.07Å; T196-V199 PolarHBondContact O-N 3.37Å; V199-G201 VanDerWaalsContact C-N 3.32Å; V199-G201 PolarHBondContact O-N 3.18Å
200S45.8Very low39.2Very low68 Ų68112.9 Ų112.948%0.47664%0.642SS.*THydrogen-bonded Turntrans-82.1-1.4-17971.40000115.2T196 A197 R202T196-S200 VanDerWaalsContact O-CB 3.31Å; T196-S200 WeakPolarHBondContact O-CB 3.24Å; T196-S200 PolarHBondContact O-N 2.93Å; T196-S200 PolarHBondContact O-OG 2.95Å; A197-S200 PolarHBondContact O-N 3.1Å; A197-S200 PolarHBondContact O-OG 3.36Å; S200-R202 PolarHBondContact O-N 3.26Å
201G37.1Very low38.1Very low70 Ų70117.1 Ų117.172%0.72266%0.664SS**THydrogen-bonded Turntrans62.912.4-179.500000114.4V199 S203V199-G201 VanDerWaalsContact C-N 3.32Å; V199-G201 PolarHBondContact O-N 3.18Å; G201-S203 PolarHBondContact O-N 2.75Å
202R35.3Very low37.5Very low205 Ų205116.8 Ų116.877%0.77467%0.671SS**  trans-82.5100.6174.8-71.5-173.2173.1-148.4-1.1108.5S200 V204S200-R202 PolarHBondContact O-N 3.26Å; R202-V204 PolarHBondContact O-N 2.82Å
203S31.7Very low36.6Very low107 Ų107120.6 Ų120.675%0.74869%0.69SS**  trans-48.5110.8170.2-178.10000110.1G201 A205G201-S203 PolarHBondContact O-N 2.75Å; S203-A205 PolarHBondContact O-N 3.17Å; S203-A205 VanDerWaalsContact O-N 3.16Å; S203-A205 PolarHBondContact OG-N 3.3Å
204V37.4Very low35.8Very low122 Ų122122.6 Ų122.674%0.73971%0.707SS**  trans-81.981.6157.6-145.70000105.2R202 G206R202-V204 PolarHBondContact O-N 2.82Å; V204-G206 PolarHBondContact O-N 2.83Å
205A28.9Very low34.9Very low94 Ų94123.2 Ų123.278%0.77772%0.72SS**  trans-65.1101.9170.200000107.8S203S203-A205 PolarHBondContact O-N 3.17Å; S203-A205 VanDerWaalsContact O-N 3.16Å; S203-A205 PolarHBondContact OG-N 3.3Å
206G28.7Very low33.9Very low53 Ų53124.1 Ų124.155%0.54674%0.736SS.*SBendtrans161.286.2174.400000113.9V204V204-G206 PolarHBondContact O-N 2.83Å
207H28Very low32.8Very low184 Ų184123.7 Ų123.785%0.85274%0.741SS**SBendtrans63.888.7154.8-60.579.9000117.6
208L27.2Very low32.1Very low179 Ų179127.1 Ų127.194%0.93777%0.769SS**  -170.885.5119.9-120.285.4000109.1
209L25.8Very low31.4Very low163 Ų163125.8 Ų125.885%0.85377%0.769SS**  trans-108.788.3168.4-168.181.6000107.8
210F27.2Very low30.6Very low190 Ų190129.2 Ų129.283%0.83377%0.774SS**  trans-136.781161-97.1-80.3000108.1
211L26.4Very low30.4Very low171 Ų171134.6 Ų134.690%0.89579%0.791SS**  trans-119.685.9157.9-89163.5000106.6
212T29.2Very low30.9Very low115 Ų115139.3 Ų139.371%0.70680%0.797SS**  trans-74.1122160.542.20000108.3A214T212-A214 PolarHBondContact O-N 2.99Å
213L26.4Very low32.5Very low184 Ų184133.5 Ų133.596%0.96379%0.793SS**  trans-37.8105163.7-72.1146000111.5
214A31.9Very low35.1Very low94 Ų94130.5 Ų130.578%0.77777%0.772SS**  trans-106.8131159.600000108T212T212-A214 PolarHBondContact O-N 2.99Å
215S30.8Very low37.6Very low108 Ų108126.7 Ų126.776%0.75575%0.75SS**  trans-34.6142.4-175.156.20000116.7A217S215-A217 VanDerWaalsContact C-N 3.27Å; S215-A217 PolarHBondContact O-N 3.28Å
216C24.4Very low40.6Very low136 Ų136126.6 Ų126.692%0.91973%0.733SS**  trans-50.286.3157.8-174.90000111.2
217A27.8Very low43.6Very low70 Ų70129 Ų12958%0.57973%0.734SS**  trans-104114.6149.900000105S215 S219S215-A217 VanDerWaalsContact C-N 3.27Å; S215-A217 PolarHBondContact O-N 3.28Å; A217-S219 PolarHBondContact O-N 2.93Å
218A29.6Very low46.8Very low103 Ų103120.7 Ų120.785%0.85170%0.696SS**  trans-66.477.2161.900000107F220A218-F220 PolarHBondContact O-N 3.43Å
219S30.9Very low50Low94 Ų94116.1 Ų116.166%0.65768%0.68SS**  trans-64.5116.3160.2-57.80000104.8A217 E221A217-S219 PolarHBondContact O-N 2.93Å; S219-E221 PolarHBondContact O-N 2.74Å
220F32.1Very low53.4Low204 Ų204109 Ų10990%0.89564%0.643SS**  trans-57.492.4161.1-129.7-97.5000105A218 M222A218-F220 PolarHBondContact O-N 3.43Å; F220-M222 VanDerWaalsContact C-N 3.27Å; F220-M222 PolarHBondContact O-N 3.35Å
221E42.1Very low56.8Low180 Ų180100 Ų10084%0.84160%0.604SS**  trans-60.4100.9169.7-112.5178161.300104.4S219 A223S219-E221 PolarHBondContact O-N 2.74Å; E221-A223 PolarHBondContact O-N 2.87Å
222M46.5Very low60.1Low169 Ų16992.2 Ų92.283%0.83356%0.563SS**  trans-55.4121.1168.4-74-155.9-51.800105.8F220 S224F220-M222 VanDerWaalsContact C-N 3.27Å; F220-M222 PolarHBondContact O-N 3.35Å; M222-S224 PolarHBondContact O-N 3.44Å; M222-S224 VanDerWaalsContact O-N 3.16Å
223A68.6Low63.4Low84 Ų8491.8 Ų91.869%0.69455%0.552SS**  trans-44.6126.4178.900000108.8E221E221-A223 PolarHBondContact O-N 2.87Å
224S87.5Confident66.8Low43 Ų4383.8 Ų83.830%0.30151%0.51SS..  trans-55.6134.9-176.1-178.80000108.4M222 Q226 D227M222-S224 PolarHBondContact O-N 3.44Å; M222-S224 VanDerWaalsContact O-N 3.16Å; S224-Q226 PolarHBondContact O-N 2.87Å; S224-Q226 WeakPolarHBondContact OG-CG 3.25Å; S224-D227 WeakPolarHBondContact CB-OD2 3.43Å; S224-D227 WeakPolarHBondContact O-CB 3.41Å; S224-D227 PolarHBondContact O-N 3.46Å
225P89.9Confident69.9Low43 Ų4383.5 Ų83.528%0.27950%0.496SS..G310 helixtrans-52.7-28-177.9-29.535.2000113.8D227 A228 F234 P317 V320 Y321P225-D227 PolarHBondContact O-N 3.25Å; P225-A228 PolarHBondContact O-N 3.5Å; P225-F234 HydrophobicContact CB-CE1 4.18Å; P225-P317 HydrophobicContact CB-CB 3.88Å; P225-P317 HydrophobicContact CG-CB 3.85Å; P225-P317 HydrophobicContact CG-CG 4.49Å; P225-V320 HydrophobicContact CB-CB 4.09Å; P225-V320 HydrophobicContact CB-CG1 4.12Å; P225-Y321 WeakPolarHBondContact O-CB 3.39Å; P225-Y321 WeakPolarHBondContact O-CD2 3.12Å
226Q91.7Very high73Confident92 Ų9278.6 Ų78.643%0.4346%0.461SS..G310 helixtrans-66.3-21.1177.174.6-163.713.100114.3S224 A324 K325S224-Q226 PolarHBondContact O-N 2.87Å; S224-Q226 WeakPolarHBondContact OG-CG 3.25Å; Q226-A324 HydrophobicContact CB-CB 3.65Å; Q226-K325 PolarHBondContact O-NZ 3.32Å
227D92.3Very high76.5Confident104 Ų10476.4 Ų76.456%0.55644%0.436SS*.G310 helixtrans-92.8-5.4-176.3-58.6-32.2000112.9S224 P225S224-D227 WeakPolarHBondContact CB-OD2 3.43Å; S224-D227 WeakPolarHBondContact O-CB 3.41Å; S224-D227 PolarHBondContact O-N 3.46Å; P225-D227 PolarHBondContact O-N 3.25Å
228A94.5Very high79.8Confident8 Ų874.4 Ų74.47%0.06642%0.416CS..  trans-52.9150.8174.700000111.5P225 E233 F234 Y321P225-A228 PolarHBondContact O-N 3.5Å; A228-E233 HydrophobicContact CB-CB 4.46Å; A228-F234 HydrophobicContact CB-CE1 4.32Å; A228-F234 HydrophobicContact CB-CE2 3.88Å; A228-F234 HydrophobicContact CB-CZ 3.42Å; A228-F234 VanDerWaalsContact CB-CZ 3.42Å; A228-Y321 HydrophobicContact CB-CD2 3.86Å; A228-Y321 HydrophobicContact CB-CE2 4.05Å; A228-Y321 WeakPolarHBondContact O-CE2 3.35Å
229S94.5Very high82.9Confident84 Ų8469.9 Ų69.959%0.58738%0.377SS*.SBendtrans-80-37.8-178.3-410000111.1E233 Y321 Q348S229-E233 WeakPolarHBondContact CA-OE1 3.08Å; S229-E233 WeakPolarHBondContact CB-OE1 3.47Å; S229-E233 PolarHBondContact N-OE1 2.84Å; S229-E233 PolarHBondContact OG-OE1 3.04Å; S229-Y321 PolarHBondContact O-OH 3.17Å; S229-Q348 PolarHBondContact O-NE2 3.12Å; S229-Q348 PolarHBondContact O-OE1 3.23Å
230S96.9Very high85.9Confident13 Ų1369.4 Ų69.49%0.09137%0.367CS..SBendtrans-151.2172-176.670.30000111.6Y232 F234 Y321S230-Y232 PolarHBondContact O-N 3.18Å; S230-Y232 VanDerWaalsContact O-N 3.15Å; S230-Y232 WeakPolarHBondContact OG-CB 3.35Å; S230-Y232 VanDerWaalsContact OG-CD2 3.32Å; S230-Y232 WeakPolarHBondContact OG-CD2 3.18Å; S230-Y232 PolarHBondContact OG-N 3.17Å; S230-F234 WeakPolarHBondContact O-CE2 3.12Å; S230-Y321 VanDerWaalsContact CA-OH 3.32Å; S230-Y321 WeakPolarHBondContact CA-OH 3.3Å
231I98.1Very high88.9Confident1 Ų165.2 Ų65.21%0.00535%0.349CS..G310 helixtrans-61.7-19.4171.965157.6000113.3E233 F234 M246 Y249 I256 L318 Y321 L322 V343 G347 P349I231-E233 PolarHBondContact O-N 3Å; I231-F234 WeakPolarHBondContact O-CD2 3.4Å; I231-F234 PolarHBondContact O-N 2.99Å; I231-M246 WeakPolarHBondContact O-CB 3.35Å; I231-Y249 HydrophobicContact CD1-CD2 4.33Å; I231-I256 HydrophobicContact CD1-CD1 4.39Å; I231-I256 HydrophobicContact CG2-CD1 4.31Å; I231-L318 HydrophobicContact CB-CD1 4.04Å; I231-L318 HydrophobicContact CG2-CD1 3.87Å; I231-Y321 HydrophobicContact CG2-CD1 4.22Å; I231-Y321 HydrophobicContact CG2-CE1 3.79Å; I231-L322 HydrophobicContact CG2-CD2 4.23Å; I231-V343 HydrophobicContact CD1-CG1 3.82Å; I231-V343 HydrophobicContact CG1-CG1 4.02Å; I231-V343 HydrophobicContact CG2-CG1 4.19Å; I231-V343 HydrophobicContact CG2-CG2 4.27Å; I231-G347 PolarHBondContact N-O 2.94Å; I231-P349 HydrophobicContact CG2-CG 4.42Å
232Y97.3Very high91.6Very high8 Ų861 Ų613%0.03133%0.332CS..G310 helixtrans-69.1-17.2-173.4-53.1-38.8000113.8S230 F234 M246 E247 R250 R345 A346 G347S230-Y232 PolarHBondContact O-N 3.18Å; S230-Y232 VanDerWaalsContact O-N 3.15Å; S230-Y232 WeakPolarHBondContact OG-CB 3.35Å; S230-Y232 VanDerWaalsContact OG-CD2 3.32Å; S230-Y232 WeakPolarHBondContact OG-CD2 3.18Å; S230-Y232 PolarHBondContact OG-N 3.17Å; Y232-F234 PolarHBondContact O-N 3.3Å; Y232-M246 WeakPolarHBondContact CD1-O 3.47Å; Y232-E247 WeakPolarHBondContact CB-OE1 3.34Å; Y232-R250 VanDerWaalsContact CD2-NH2 3.31Å; Y232-R250 HydrophobicContact CE1-CB 4.19Å; Y232-R250 HydrophobicContact CE2-CB 4.44Å; Y232-R250 HydrophobicContact CE2-CG 4.28Å; Y232-R250 WeakPolarHBondContact OH-CA 3.49Å; Y232-R345 VanDerWaalsContact OH-C 3.3Å; Y232-R345 PolarHBondContact OH-O 2.87Å; Y232-A346 VanDerWaalsContact CE2-C 3.41Å; Y232-A346 VanDerWaalsContact CE2-O 3.24Å; Y232-A346 WeakPolarHBondContact CE2-O 3.23Å; Y232-A346 VanDerWaalsContact OH-C 3.24Å; Y232-G347 WeakPolarHBondContact OH-CA 3.28Å; Y232-G347 PolarHBondContact OH-N 3.03Å
233E97.1Very high93.9Very high105 Ų10557.6 Ų57.649%0.49132%0.317SS..G310 helixtrans-78.2-5.4177.3-64.3176.8-144.500113A228 S229 I231A228-E233 HydrophobicContact CB-CB 4.46Å; S229-E233 WeakPolarHBondContact CA-OE1 3.08Å; S229-E233 WeakPolarHBondContact CB-OE1 3.47Å; S229-E233 PolarHBondContact N-OE1 2.84Å; S229-E233 PolarHBondContact OG-OE1 3.04Å; I231-E233 PolarHBondContact O-N 3Å
234F97.4Very high95.3Very high17 Ų1754.3 Ų54.38%0.07529%0.289CS..  trans-102.2150.7-179.2-54.8-73.3000112.4P225 A228 S230 I231 Y232 M246 P317 L318 Y321P225-F234 HydrophobicContact CB-CE1 4.18Å; A228-F234 HydrophobicContact CB-CE1 4.32Å; A228-F234 HydrophobicContact CB-CE2 3.88Å; A228-F234 HydrophobicContact CB-CZ 3.42Å; A228-F234 VanDerWaalsContact CB-CZ 3.42Å; S230-F234 WeakPolarHBondContact O-CE2 3.12Å; I231-F234 WeakPolarHBondContact O-CD2 3.4Å; I231-F234 PolarHBondContact O-N 2.99Å; Y232-F234 PolarHBondContact O-N 3.3Å; F234-M246 HydrophobicContact CB-CG 4.04Å; F234-M246 WeakPolarHBondContact O-CB 3.25Å; F234-M246 VanDerWaalsContact O-CG 3.23Å; F234-M246 WeakPolarHBondContact O-CG 3.45Å; F234-M246 PolarHBondContact O-N 3.21Å; F234-P317 HydrophobicContact CD1-CB 3.91Å; F234-P317 HydrophobicContact CE1-CB 3.97Å; F234-L318 HydrophobicContact CB-CB 4.13Å; F234-L318 HydrophobicContact CB-CD1 4.31Å; F234-L318 HydrophobicContact CD1-CB 4.42Å; F234-L318 HydrophobicContact CD2-CB 4.28Å; F234-L318 HydrophobicContact CD2-CD1 3.55Å; F234-L318 HydrophobicContact CE2-CD1 4.18Å; F234-L318 HydrophobicContact CG-CB 4Å; F234-L318 HydrophobicContact CG-CD1 4.07Å; F234-Y321 HydrophobicContact CD2-CD1 4.49Å; F234-Y321 AromaticContact CE2-CD1 3.57Å; F234-Y321 HydrophobicContact CE2-CD1 3.57Å; F234-Y321 HydrophobicContact CE2-CD2 4.15Å; F234-Y321 HydrophobicContact CE2-CE1 4.22Å; F234-Y321 AromaticContact CE2-CG 3.53Å; F234-Y321 HydrophobicContact CE2-CG 3.53Å; F234-Y321 HydrophobicContact CZ-CD1 4.16Å; F234-Y321 HydrophobicContact CZ-CD2 4.09Å; F234-Y321 AromaticContact CZ-CG 3.63Å; F234-Y321 HydrophobicContact CZ-CG 3.63Å
235N97.1Very high95.8Very high88 Ų8854.3 Ų54.347%0.47129%0.289SS..EExtended strand (participates in β ladder)trans-118.3157164.9-55.9-41.8000109.2D243 V244 S245 H316N235-D243 WeakPolarHBondContact CB-OD1 3.49Å; N235-V244 WeakPolarHBondContact CA-O 3.45Å; N235-S245 WeakPolarHBondContact OD1-CA 3.36Å; N235-S245 WeakPolarHBondContact OD1-CB 3.29Å; N235-S245 PolarHBondContact OD1-OG 2.66Å; N235-H316 PolarHBondContact O-CE1 3.23Å; N235-H316 PolarHBondContact O-NE2 3.48Å
236A97.1Very high96.1Very high4 Ų452.3 Ų52.33%0.03328%0.275CS..EExtended strand (participates in β ladder)trans-147.1155.1169.200000110.4D238 V244 M246 F274 Y305A236-D238 PolarHBondContact O-N 3.08Å; A236-V244 PolarHBondContact N-O 3Å; A236-V244 PolarHBondContact O-N 3.41Å; A236-M246 HydrophobicContact CB-CE 3.59Å; A236-F274 HydrophobicContact CB-CE1 3.71Å; A236-F274 HydrophobicContact CB-CZ 4.29Å; A236-Y305 HydrophobicContact CB-CD1 3.59Å; A236-Y305 HydrophobicContact CB-CE1 3.91Å
237K97.2Very high96.3Very high91 Ų9151.7 Ų51.740%0.39627%0.272SS..EExtended strand (participates in β ladder)trans-71.4126.4171.9-63.9-46.9-163.8-172.70109.9N242 D243 Y305 A306K237-N242 CarbonylContact C-O 3.55Å; K237-N242 VanDerWaalsContact CA-O 3.25Å; K237-N242 WeakPolarHBondContact CA-O 3.48Å; K237-D243 HydrophobicContact CD-CB 4.37Å; K237-D243 IonicContact NZ-OD2 3.11Å; K237-D243 PolarHBondContact NZ-OD2 3.31Å; K237-Y305 CarbonylContact O-C 3.59Å; K237-Y305 WeakPolarHBondContact O-CA 3.4Å; K237-Y305 WeakPolarHBondContact O-CB 3.36Å; K237-Y305 VanDerWaalsContact O-CD1 3.29Å; K237-Y305 WeakPolarHBondContact O-CD1 3.38Å; K237-A306 HydrophobicContact CB-CB 3.83Å; K237-A306 PolarHBondContact O-N 3.1Å
238D96.6Very high96.4Very high27 Ų2752.3 Ų52.314%0.14427%0.267CS..BIsolated β-bridgetrans-65.2175.1169.272.912.3000111A236 D240 F241 N242 V244 A306A236-D238 PolarHBondContact O-N 3.08Å; D238-D240 PolarHBondContact O-N 3.21Å; D238-D240 VanDerWaalsContact O-N 3.1Å; D238-D240 WeakPolarHBondContact OD1-CA 3.37Å; D238-D240 PolarHBondContact OD1-N 3.23Å; D238-F241 WeakPolarHBondContact O-CA 3.46Å; D238-F241 PolarHBondContact O-N 2.89Å; D238-F241 PolarHBondContact OD1-N 2.97Å; D238-N242 PolarHBondContact N-O 2.83Å; D238-N242 PolarHBondContact OD1-N 2.96Å; D238-N242 PolarHBondContact OD1-ND2 3.26Å; D238-N242 WeakPolarHBondContact OD2-CB 3.42Å; D238-N242 PolarHBondContact OD2-ND2 3Å; D238-V244 HydrophobicContact CB-CG2 3.83Å; D238-A306 PolarHBondContact O-N 2.96Å
239I95Very high96.4Very high9 Ų952 Ų525%0.04626%0.264CS..THydrogen-bonded Turntrans-62.7-15.9-179.3-162.567.7000113.4P275 E287 I290 K291 M304 Y305I239-P275 HydrophobicContact CD1-CG 4.39Å; I239-E287 HydrophobicContact CD1-CB 3.78Å; I239-E287 HydrophobicContact CD1-CG 4.03Å; I239-E287 HydrophobicContact CG1-CB 4.28Å; I239-I290 HydrophobicContact CD1-CB 4.43Å; I239-I290 HydrophobicContact CD1-CG2 4.36Å; I239-K291 HydrophobicContact CG1-CB 3.8Å; I239-K291 HydrophobicContact CG1-CG 4.4Å; I239-K291 HydrophobicContact CG2-CD 3.8Å; I239-K291 HydrophobicContact CG2-CG 4.21Å; I239-M304 HydrophobicContact CB-CB 3.84Å; I239-M304 WeakPolarHBondContact CB-O 3.45Å; I239-M304 HydrophobicContact CG1-CB 4.27Å; I239-M304 HydrophobicContact CG2-CB 4.02Å; I239-M304 HydrophobicContact CG2-CE 4.46Å; I239-M304 PolarHBondContact N-O 3.38Å; I239-Y305 VanDerWaalsContact CD1-O 3.24Å; I239-Y305 WeakPolarHBondContact CD1-O 3.24Å
240D94.9Very high96.3Very high83 Ų8354.5 Ų54.544%0.44426%0.261SS..THydrogen-bonded Turntrans-102.112.3175.5-58.1-62.1000112.1D238 N242 K291D238-D240 PolarHBondContact O-N 3.21Å; D238-D240 VanDerWaalsContact O-N 3.1Å; D238-D240 WeakPolarHBondContact OD1-CA 3.37Å; D238-D240 PolarHBondContact OD1-N 3.23Å; D240-N242 VanDerWaalsContact C-N 3.31Å; D240-N242 PolarHBondContact O-N 3.29Å; D240-K291 IonicContact OD1-NZ 2.69Å; D240-K291 PolarHBondContact OD1-NZ 3.02Å; D240-K291 IonicContact OD2-NZ 3.69Å; D240-K291 PolarHBondContact OD2-NZ 3.37Å
241F95.4Very high96Very high117 Ų11755.8 Ų55.851%0.51328%0.276SS..SBendtrans67.115.2179.7-60.1-81.9000116.7D238 E287 A306D238-F241 WeakPolarHBondContact O-CA 3.46Å; D238-F241 PolarHBondContact O-N 2.89Å; D238-F241 PolarHBondContact OD1-N 2.97Å; F241-E287 HydrophobicContact CE1-CG 4.25Å; F241-E287 HydrophobicContact CE2-CB 4.05Å; F241-E287 HydrophobicContact CE2-CG 4.12Å; F241-E287 HydrophobicContact CZ-CB 4.08Å; F241-E287 VanDerWaalsContact CZ-CD 3.43Å; F241-E287 HydrophobicContact CZ-CG 3.66Å; F241-E287 WeakPolarHBondContact CZ-OE2 3.31Å; F241-A306 HydrophobicContact CD1-CB 4.13Å; F241-A306 HydrophobicContact CE1-CB 4.02Å
242N97.2Very high95.6Very high91 Ų9158.7 Ų58.749%0.48729%0.289SS..  trans-73.8145170.6-50.5-64.6000110.3K237 D238 D240 V244K237-N242 CarbonylContact C-O 3.55Å; K237-N242 VanDerWaalsContact CA-O 3.25Å; K237-N242 WeakPolarHBondContact CA-O 3.48Å; D238-N242 PolarHBondContact N-O 2.83Å; D238-N242 PolarHBondContact OD1-N 2.96Å; D238-N242 PolarHBondContact OD1-ND2 3.26Å; D238-N242 WeakPolarHBondContact OD2-CB 3.42Å; D238-N242 PolarHBondContact OD2-ND2 3Å; D240-N242 VanDerWaalsContact C-N 3.31Å; D240-N242 PolarHBondContact O-N 3.29Å; N242-V244 PolarHBondContact O-N 3.46Å
243D96.1Very high95.3Very high97 Ų9758.3 Ų58.352%0.51929%0.287SS..EExtended strand (participates in β ladder)trans-74.9123.1173.3-140.5-42.4000110.6N235 K237N235-D243 WeakPolarHBondContact CB-OD1 3.49Å; K237-D243 HydrophobicContact CD-CB 4.37Å; K237-D243 IonicContact NZ-OD2 3.11Å; K237-D243 PolarHBondContact NZ-OD2 3.31Å
244V97.1Very high95.1Very high16 Ų1653.4 Ų53.410%0.09726%0.264CS..EExtended strand (participates in β ladder)trans-126.9121.3-176.6175.60000109.5N235 A236 D238 N242 R248 Y305N235-V244 WeakPolarHBondContact CA-O 3.45Å; A236-V244 PolarHBondContact N-O 3Å; A236-V244 PolarHBondContact O-N 3.41Å; D238-V244 HydrophobicContact CB-CG2 3.83Å; N242-V244 PolarHBondContact O-N 3.46Å; V244-R248 VanDerWaalsContact CG1-CD 3.4Å; V244-Y305 HydrophobicContact CB-CE1 4.15Å; V244-Y305 HydrophobicContact CG1-CE1 4.19Å
245S97.5Very high94.9Very high43 Ų4352.6 Ų52.630%0.30126%0.261SS..EExtended strand (participates in β ladder)trans-74.2139.2172.6-176.10000112N235 E247 R248N235-S245 WeakPolarHBondContact OD1-CA 3.36Å; N235-S245 WeakPolarHBondContact OD1-CB 3.29Å; N235-S245 PolarHBondContact OD1-OG 2.66Å; S245-E247 PolarHBondContact O-N 3.27Å; S245-E247 WeakPolarHBondContact OG-CB 3.49Å; S245-E247 PolarHBondContact OG-N 2.86Å; S245-R248 VanDerWaalsContact O-CG 3.3Å; S245-R248 WeakPolarHBondContact O-CG 3.36Å; S245-R248 PolarHBondContact O-N 3.34Å
246M97.1Very high94.7Very high0 Ų048.4 Ų48.40%024%0.238CC..G310 helixtrans-68.7-12.3172.4-62.9-58.6123.300112.6I231 Y232 F234 A236 R248 Y249 F274 Y305 L318I231-M246 WeakPolarHBondContact O-CB 3.35Å; Y232-M246 WeakPolarHBondContact CD1-O 3.47Å; F234-M246 HydrophobicContact CB-CG 4.04Å; F234-M246 WeakPolarHBondContact O-CB 3.25Å; F234-M246 VanDerWaalsContact O-CG 3.23Å; F234-M246 WeakPolarHBondContact O-CG 3.45Å; F234-M246 PolarHBondContact O-N 3.21Å; A236-M246 HydrophobicContact CB-CE 3.59Å; M246-R248 PolarHBondContact O-N 3.37Å; M246-Y249 HydrophobicContact CB-CD2 4.41Å; M246-Y249 WeakPolarHBondContact O-CB 3.4Å; M246-Y249 PolarHBondContact O-N 2.92Å; M246-Y249 HydrophobicContact SD-CD2 4.02Å; M246-Y249 HydrophobicContact SD-CE2 3.73Å; M246-F274 HydrophobicContact CE-CZ 4.09Å; M246-F274 HydrophobicContact SD-CZ 4.35Å; M246-Y305 HydrophobicContact CE-CD1 4.22Å; M246-Y305 HydrophobicContact CE-CE1 3.37Å; M246-Y305 WeakPolarHBondContact CE-OH 3.35Å; M246-L318 HydrophobicContact CG-CD2 4.38Å; M246-L318 HydrophobicContact SD-CD2 4.04Å
247E96.3Very high94.3Very high79 Ų7948.2 Ų48.237%0.36924%0.237SC..G310 helixtrans-50.3-27.7169-83.6-70.5173.100113.1Y232 S245 Y249 R250Y232-E247 WeakPolarHBondContact CB-OE1 3.34Å; S245-E247 PolarHBondContact O-N 3.27Å; S245-E247 WeakPolarHBondContact OG-CB 3.49Å; S245-E247 PolarHBondContact OG-N 2.86Å; E247-Y249 PolarHBondContact O-N 3.2Å; E247-R250 WeakPolarHBondContact O-CB 3.42Å; E247-R250 PolarHBondContact O-N 3.34Å; E247-R250 IonicContact OE1-CZ 2.7Å; E247-R250 IonicContact OE1-NE 3.7Å; E247-R250 IonicContact OE1-NH2 3.89Å; E247-R250 PolarHBondContact OE1-NH2 3.42Å; E247-R250 IonicContact OE2-CZ 3.8Å; E247-R250 VanDerWaalsContact OE2-CZ 3.23Å; E247-R250 IonicContact OE2-NE 3.23Å; E247-R250 PolarHBondContact OE2-NE 3.47Å; E247-R250 IonicContact OE2-NH2 2.69Å; E247-R250 PolarHBondContact OE2-NH2 3.14Å
248R94.4Very high93.4Very high118 Ų11843.9 Ų43.945%0.44522%0.218SC..G310 helixtrans-56.3-20.4174.872.5-176.5-71.4162.5-7.4114.1V244 S245 M246 D303V244-R248 VanDerWaalsContact CG1-CD 3.4Å; S245-R248 VanDerWaalsContact O-CG 3.3Å; S245-R248 WeakPolarHBondContact O-CG 3.36Å; S245-R248 PolarHBondContact O-N 3.34Å; M246-R248 PolarHBondContact O-N 3.37Å; R248-D303 IonicContact CZ-OD1 2.77Å; R248-D303 IonicContact CZ-OD2 3.84Å; R248-D303 IonicContact NE-OD2 2.98Å; R248-D303 PolarHBondContact NE-OD2 2.79Å; R248-D303 IonicContact NH2-OD1 3.25Å; R248-D303 PolarHBondContact NH2-OD1 3.13Å; R248-D303 IonicContact NH2-OD2 2.86Å; R248-D303 PolarHBondContact NH2-OD2 3.22Å
249Y94Very high92Very high2 Ų243.3 Ų43.31%0.00821%0.214CC..G310 helixtrans-92.22.3178.7-63.8-52.7000113.7I231 M246 E247 G251 F252 V254 R270 A272 D303 Y305I231-Y249 HydrophobicContact CD1-CD2 4.33Å; M246-Y249 HydrophobicContact CB-CD2 4.41Å; M246-Y249 WeakPolarHBondContact O-CB 3.4Å; M246-Y249 PolarHBondContact O-N 2.92Å; M246-Y249 HydrophobicContact SD-CD2 4.02Å; M246-Y249 HydrophobicContact SD-CE2 3.73Å; E247-Y249 PolarHBondContact O-N 3.2Å; Y249-G251 PolarHBondContact O-N 2.67Å; Y249-F252 PolarHBondContact O-N 3.18Å; Y249-V254 HydrophobicContact CD1-CG2 3.42Å; Y249-V254 VanDerWaalsContact CD1-CG2 3.42Å; Y249-V254 HydrophobicContact CD2-CG2 4.32Å; Y249-V254 HydrophobicContact CE1-CG2 4.2Å; Y249-V254 HydrophobicContact CG-CG2 3.51Å; Y249-R270 HydrophobicContact CD1-CB 4.12Å; Y249-R270 HydrophobicContact CD1-CG 4.36Å; Y249-R270 HydrophobicContact CE1-CB 4.15Å; Y249-A272 HydrophobicContact CE2-CB 4.11Å; Y249-A272 WeakPolarHBondContact OH-CB 3.42Å; Y249-D303 VanDerWaalsContact CE1-OD2 3.25Å; Y249-D303 WeakPolarHBondContact CE1-OD2 3.36Å; Y249-D303 WeakPolarHBondContact OH-CB 3.18Å; Y249-D303 PolarHBondContact OH-OD2 3.15Å; Y249-Y305 WeakPolarHBondContact CE2-OH 3.2Å; Y249-Y305 WeakPolarHBondContact OH-CE2 3.5Å; Y249-Y305 PolarHBondContact OH-OH 3.04Å
250R93.5Very high90Very high136 Ų13644.4 Ų44.451%0.51322%0.22SC..THydrogen-bonded Turntrans-55.3127.8176.8-173.3173.5-68.8-83.92.6111.1Y232 E247 F252Y232-R250 VanDerWaalsContact CD2-NH2 3.31Å; Y232-R250 HydrophobicContact CE1-CB 4.19Å; Y232-R250 HydrophobicContact CE2-CB 4.44Å; Y232-R250 HydrophobicContact CE2-CG 4.28Å; Y232-R250 WeakPolarHBondContact OH-CA 3.49Å; E247-R250 WeakPolarHBondContact O-CB 3.42Å; E247-R250 PolarHBondContact O-N 3.34Å; E247-R250 IonicContact OE1-CZ 2.7Å; E247-R250 IonicContact OE1-NE 3.7Å; E247-R250 IonicContact OE1-NH2 3.89Å; E247-R250 PolarHBondContact OE1-NH2 3.42Å; E247-R250 IonicContact OE2-CZ 3.8Å; E247-R250 VanDerWaalsContact OE2-CZ 3.23Å; E247-R250 IonicContact OE2-NE 3.23Å; E247-R250 PolarHBondContact OE2-NE 3.47Å; E247-R250 IonicContact OE2-NH2 2.69Å; E247-R250 PolarHBondContact OE2-NH2 3.14Å; R250-F252 VanDerWaalsContact C-N 3.27Å; R250-F252 WeakPolarHBondContact O-CD2 3.47Å; R250-F252 PolarHBondContact O-N 2.96Å
251G89.5Confident88.1Confident39 Ų3941.1 Ų41.140%0.40220%0.201SC..THydrogen-bonded Turntrans81-4.2-179.600000115.5Y249 R345Y249-G251 PolarHBondContact O-N 2.67Å; G251-R345 WeakPolarHBondContact CA-O 3.34Å; G251-R345 PolarHBondContact N-O 2.86Å; G251-R345 WeakPolarHBondContact O-CD 3.27Å; G251-R345 VanDerWaalsContact O-CG 3.29Å; G251-R345 WeakPolarHBondContact O-CG 3.15Å
252F90.8Very high86.2Confident63 Ų6341.3 Ų41.328%0.27620%0.204SC..SBendtrans-102.1151.2176.5-65.3-78.4000111.7Y249 R250 R270 D344 R345Y249-F252 PolarHBondContact O-N 3.18Å; R250-F252 VanDerWaalsContact C-N 3.27Å; R250-F252 WeakPolarHBondContact O-CD2 3.47Å; R250-F252 PolarHBondContact O-N 2.96Å; F252-R270 HydrophobicContact CB-CG 3.87Å; F252-R270 HydrophobicContact CD1-CG 3.99Å; F252-R270 HydrophobicContact CD2-CG 4.49Å; F252-R270 HydrophobicContact CG-CG 3.86Å; F252-D344 CarbonylContact O-C 3.6Å; F252-R345 WeakPolarHBondContact O-CA 3.38Å
253V90.4Very high84.1Confident0 Ų041.5 Ų41.50%020%0.202CC..EExtended strand (participates in β ladder)trans-80.7131.5161.7178.60000107.2G268 L269 R270 L342 V343 R345 L369 L370V253-G268 PolarHBondContact N-O 3.36Å; V253-L269 HydrophobicContact CB-CD1 4.18Å; V253-L269 HydrophobicContact CG1-CD1 3.81Å; V253-L269 CarbonylContact O-C 3.49Å; V253-L269 WeakPolarHBondContact O-CA 3.19Å; V253-R270 PolarHBondContact O-N 3.04Å; V253-L342 HydrophobicContact CG1-CD1 3.64Å; V253-V343 WeakPolarHBondContact CA-O 3.22Å; V253-R345 HydrophobicContact CG2-CG 4.01Å; V253-L369 HydrophobicContact CG1-CB 4.15Å; V253-L369 HydrophobicContact CG1-CD1 4.01Å; V253-L369 HydrophobicContact CG2-CB 3.61Å; V253-L370 HydrophobicContact CB-CD2 3.96Å; V253-L370 HydrophobicContact CG2-CD2 3.67Å; V253-L370 HydrophobicContact CG2-CG 4.2Å
254V93.3Very high82.2Confident1 Ų138.2 Ų38.21%0.00618%0.182CC..EExtended strand (participates in β ladder)trans-123.6137.3-176.9169.50000111.2Y249 I256 R270 A272 V343Y249-V254 HydrophobicContact CD1-CG2 3.42Å; Y249-V254 VanDerWaalsContact CD1-CG2 3.42Å; Y249-V254 HydrophobicContact CD2-CG2 4.32Å; Y249-V254 HydrophobicContact CE1-CG2 4.2Å; Y249-V254 HydrophobicContact CG-CG2 3.51Å; V254-I256 HydrophobicContact CG1-CD1 4.4Å; V254-I256 HydrophobicContact CG1-CG1 3.56Å; V254-R270 CarbonylContact C-O 3.55Å; V254-R270 VanDerWaalsContact CA-O 3.3Å; V254-R270 WeakPolarHBondContact CA-O 3.48Å; V254-R270 HydrophobicContact CG2-CB 3.83Å; V254-A272 HydrophobicContact CG1-CB 4.29Å; V254-V343 HydrophobicContact CB-CB 4.22Å; V254-V343 PolarHBondContact N-O 2.68Å; V254-V343 PolarHBondContact O-N 3.43Å
255I92.1Very high80Confident1 Ų145.7 Ų45.71%0.00521%0.209CC..EExtended strand (participates in β ladder)trans-99.7116.7160.8-63.4168.6000108.4Y261 Y264 L269 R270 I271 A272 K340 F341 L342 M362 I366I255-Y261 HydrophobicContact CD1-CE1 4.14Å; I255-Y261 HydrophobicContact CG2-CD1 4.41Å; I255-Y261 HydrophobicContact CG2-CE1 4.45Å; I255-Y264 HydrophobicContact CD1-CD2 4.4Å; I255-L269 HydrophobicContact CD1-CD1 4.19Å; I255-L269 HydrophobicContact CD1-CD2 4.24Å; I255-L269 HydrophobicContact CG1-CD1 4.17Å; I255-R270 PolarHBondContact N-O 3.5Å; I255-I271 HydrophobicContact CB-CG1 4.3Å; I255-I271 WeakPolarHBondContact O-CA 3.22Å; I255-A272 PolarHBondContact O-N 3.2Å; I255-K340 HydrophobicContact CG2-CB 4.14Å; I255-K340 HydrophobicContact CG2-CG 4.38Å; I255-F341 WeakPolarHBondContact CA-O 3.49Å; I255-L342 HydrophobicContact CG1-CD1 4.02Å; I255-M362 HydrophobicContact CD1-CE 4.02Å; I255-I366 HydrophobicContact CD1-CD1 3.91Å
256I93.5Very high78Confident0 Ų046.2 Ų46.20%021%0.207CC..EExtended strand (participates in β ladder)trans-98.3124.9171.6-54.8-176.5000108.6I231 V254 A272 F274 L318 W319 L322 K340 F341 V343I231-I256 HydrophobicContact CD1-CD1 4.39Å; I231-I256 HydrophobicContact CG2-CD1 4.31Å; V254-I256 HydrophobicContact CG1-CD1 4.4Å; V254-I256 HydrophobicContact CG1-CG1 3.56Å; I256-A272 WeakPolarHBondContact CA-O 3.41Å; I256-A272 HydrophobicContact CG1-CB 4.41Å; I256-F274 HydrophobicContact CG2-CD2 3.74Å; I256-F274 HydrophobicContact CG2-CE2 3.73Å; I256-L318 HydrophobicContact CD1-CD1 4.42Å; I256-L318 HydrophobicContact CD1-CD2 4.35Å; I256-W319 HydrophobicContact CG2-CZ2 4.35Å; I256-L322 HydrophobicContact CB-CD1 4.34Å; I256-L322 HydrophobicContact CD1-CD1 4.01Å; I256-L322 HydrophobicContact CD1-CD2 4.23Å; I256-L322 HydrophobicContact CG2-CD1 3.92Å; I256-K340 CarbonylContact O-C 3.44Å; I256-K340 WeakPolarHBondContact O-CA 3.35Å; I256-F341 HydrophobicContact CB-CB 4.43Å; I256-F341 PolarHBondContact N-O 2.91Å; I256-F341 PolarHBondContact O-N 3.38Å; I256-V343 HydrophobicContact CD1-CG2 3.94Å; I256-V343 HydrophobicContact CG1-CG2 4.2Å
257V89Confident76Confident0 Ų051.4 Ų51.40%024%0.243CC..EExtended strand (participates in β ladder)trans-137.8142.7-172.7580000111.5Q259 I271 A272 A273 F274 T339 K340V257-Q259 VanDerWaalsContact C-N 3.26Å; V257-Q259 WeakPolarHBondContact CG1-O 3.28Å; V257-Q259 WeakPolarHBondContact CG2-O 3.38Å; V257-Q259 PolarHBondContact O-N 2.86Å; V257-I271 HydrophobicContact CG1-CG2 4.21Å; V257-A272 PolarHBondContact N-O 3.07Å; V257-A273 HydrophobicContact CG1-CB 4.22Å; V257-F274 PolarHBondContact O-N 3.17Å; V257-T339 WeakPolarHBondContact CA-O 3.39Å; V257-K340 HydrophobicContact CB-CG 4.13Å; V257-K340 HydrophobicContact CG2-CG 3.8Å
258N77.2Confident74.5Confident0 Ų048.5 Ų48.50%024%0.235CC..SBendtrans-83.513-179.561.6-31.2000115.3F274 C276 F279 V310 W319 W336 N337 F338 T339N258-F274 CarbonylContact C-O 3.53Å; N258-F274 WeakPolarHBondContact CA-O 3.45Å; N258-C276 HydrophobicContact CB-CB 4.32Å; N258-F279 WeakPolarHBondContact ND2-CE2 3.21Å; N258-V310 HydrophobicContact CB-CG1 4.27Å; N258-W319 HydrophobicContact CB-CH2 3.43Å; N258-W319 VanDerWaalsContact CB-CH2 3.43Å; N258-W319 HydrophobicContact CB-CZ2 3.59Å; N258-W319 HydrophobicContact CB-CZ3 4.29Å; N258-W336 PolarHBondContact ND2-O 3.49Å; N258-N337 WeakPolarHBondContact ND2-CA 3.34Å; N258-F338 WeakPolarHBondContact OD1-CA 3.34Å; N258-F338 PolarHBondContact OD1-N 2.77Å; N258-T339 PolarHBondContact N-O 3.07Å; N258-T339 PolarHBondContact OD1-N 2.9Å; N258-T339 PolarHBondContact OD1-O 3.46Å
259Q68.3Low73.8Confident15 Ų1543.4 Ų43.47%0.0722%0.216CC..SBendtrans-159168.7174.6-112.7-170.9-1.300110.6V257 Y261 N337 F338V257-Q259 VanDerWaalsContact C-N 3.26Å; V257-Q259 WeakPolarHBondContact CG1-O 3.28Å; V257-Q259 WeakPolarHBondContact CG2-O 3.38Å; V257-Q259 PolarHBondContact O-N 2.86Å; Q259-Y261 PolarHBondContact O-N 3.45Å; Q259-N337 VanDerWaalsContact CD-CG 3.49Å; Q259-N337 HydrophobicContact CG-CB 4.37Å; Q259-N337 PolarHBondContact NE2-ND2 2.9Å; Q259-N337 VanDerWaalsContact OE1-CB 3.27Å; Q259-F338 HydrophobicContact CB-CD1 3.8Å; Q259-F338 HydrophobicContact CB-CE1 3.76Å; Q259-F338 HydrophobicContact CB-CG 4.36Å; Q259-F338 HydrophobicContact CB-CZ 4.3Å
260L52.6Low73.5Confident32 Ų3248.2 Ų48.217%0.16823%0.234CC..  trans-55.4134.2178-72.6160.9000111.6F293 A294 V300 F302 M304 F338L260-F293 HydrophobicContact CD1-CD1 4.44Å; L260-A294 HydrophobicContact CD1-CB 3.7Å; L260-A294 HydrophobicContact CD2-CB 3.43Å; L260-A294 VanDerWaalsContact CD2-CB 3.43Å; L260-A294 HydrophobicContact CG-CB 4.22Å; L260-V300 HydrophobicContact CD2-CG2 4.23Å; L260-F302 HydrophobicContact CD2-CE2 3.94Å; L260-F302 HydrophobicContact CD2-CZ 3.94Å; L260-M304 HydrophobicContact CD2-CG 4.42Å; L260-M304 HydrophobicContact CD2-SD 3.77Å; L260-F338 VanDerWaalsContact O-CE1 3.3Å; L260-F338 WeakPolarHBondContact O-CE1 3.35Å
261Y54.6Low73.2Confident13 Ų1342.2 Ų42.25%0.05121%0.212CC..  trans-140.4119.3-173.3-177.4-112000110.6I255 Q259 E263 Y264 I271 F302 K340 P359 M362I255-Y261 HydrophobicContact CD1-CE1 4.14Å; I255-Y261 HydrophobicContact CG2-CD1 4.41Å; I255-Y261 HydrophobicContact CG2-CE1 4.45Å; Q259-Y261 PolarHBondContact O-N 3.45Å; Y261-E263 WeakPolarHBondContact CE1-O 3.5Å; Y261-E263 HydrophobicContact CE2-CB 4.5Å; Y261-Y264 HydrophobicContact CE1-CD2 4.21Å; Y261-Y264 WeakPolarHBondContact OH-CD2 3.27Å; Y261-Y264 WeakPolarHBondContact OH-CE2 3.37Å; Y261-I271 HydrophobicContact CD1-CD1 3.89Å; Y261-I271 HydrophobicContact CD1-CG1 4.35Å; Y261-I271 HydrophobicContact CD1-CG2 4.35Å; Y261-I271 HydrophobicContact CE1-CD1 4.31Å; Y261-F302 WeakPolarHBondContact O-CE1 3.27Å; Y261-F302 WeakPolarHBondContact O-CZ 3.27Å; Y261-K340 HydrophobicContact CD2-CD 4.39Å; Y261-K340 VanDerWaalsContact CD2-CE 3.48Å; Y261-K340 HydrophobicContact CE2-CD 4.08Å; Y261-P359 HydrophobicContact CE2-CB 4.45Å; Y261-P359 HydrophobicContact CE2-CG 3.59Å; Y261-P359 WeakPolarHBondContact OH-CB 3.28Å; Y261-P359 WeakPolarHBondContact OH-CG 3.42Å; Y261-M362 HydrophobicContact CE1-CE 4.01Å; Y261-M362 HydrophobicContact CE2-CE 4.48Å; Y261-M362 WeakPolarHBondContact OH-CE 3.32Å
262E55.1Low73.4Confident122 Ų12240.4 Ų40.457%0.5719%0.193SC*.  trans-99.3-20.8-164.4-166.8164.8-171.700113.9Y298E262-Y298 WeakPolarHBondContact OE2-CD1 3.35Å
263E54.5Low73.5Confident95 Ų9537.4 Ų37.444%0.44418%0.18SC..  trans-87.8139.5-173.8-92.2173.4128.600112.9Y261 P359Y261-E263 WeakPolarHBondContact CE1-O 3.5Å; Y261-E263 HydrophobicContact CE2-CB 4.5Å; E263-P359 HydrophobicContact CB-CB 3.82Å; E263-P359 HydrophobicContact CB-CG 4.1Å; E263-P359 HydrophobicContact CG-CB 4.36Å; E263-P359 VanDerWaalsContact OE2-CB 3.22Å; E263-P359 WeakPolarHBondContact OE2-CB 3.26Å; E263-P359 WeakPolarHBondContact OE2-CG 3.37Å
264Y55.2Low73.8Confident27 Ų2737.4 Ų37.411%0.10618%0.18CC..  trans87.8107-179.8-52.6-69.4000117.5I255 Y261 L269 P359 E360 M362 R363 I366I255-Y264 HydrophobicContact CD1-CD2 4.4Å; Y261-Y264 HydrophobicContact CE1-CD2 4.21Å; Y261-Y264 WeakPolarHBondContact OH-CD2 3.27Å; Y261-Y264 WeakPolarHBondContact OH-CE2 3.37Å; Y264-L269 HydrophobicContact CG-CD2 4.19Å; Y264-P359 HydrophobicContact CD2-CB 4.47Å; Y264-P359 HydrophobicContact CE2-CB 3.57Å; Y264-P359 WeakPolarHBondContact CE2-O 3.02Å; Y264-P359 PolarHBondContact OH-O 3.32Å; Y264-E360 WeakPolarHBondContact OH-CA 3.06Å; Y264-E360 PolarHBondContact OH-N 3.27Å; Y264-E360 PolarHBondContact OH-OE2 3.29Å; Y264-M362 HydrophobicContact CD2-CE 4.37Å; Y264-M362 HydrophobicContact CE2-CE 4.01Å; Y264-R363 HydrophobicContact CE1-CB 4.48Å; Y264-I366 HydrophobicContact CD2-CD1 4.04Å; Y264-I366 HydrophobicContact CE2-CD1 4.12Å; Y264-I366 HydrophobicContact CG-CD1 4.27Å
265R52Low73.8Confident173 Ų17337.6 Ų37.665%0.65318%0.181SC*.  trans-125.477.8162.8-69.8-170.8-178-1794.2108.9N299 T301R265-N299 PolarHBondContact NH2-O 3.16Å; R265-T301 VanDerWaalsContact CZ-OG1 3.25Å; R265-T301 PolarHBondContact NH2-OG1 2.81Å
266E53.5Low73.6Confident55 Ų5537.5 Ų37.526%0.25718%0.181SC..  trans-103.5146.3169.2-71.8-171.5-173.400110.4G268 L269 L370E266-G268 PolarHBondContact O-N 3.03Å; E266-L269 HydrophobicContact CB-CB 4.46Å; E266-L269 WeakPolarHBondContact O-CB 3.34Å; E266-L269 PolarHBondContact O-N 3.49Å; E266-L370 HydrophobicContact CB-CD1 4.11Å; E266-L370 WeakPolarHBondContact OE2-CD1 3.18Å
267S55.1Low73.4Confident108 Ų10840.2 Ų40.276%0.75520%0.195SC*.THydrogen-bonded Turntrans-58123.2176.2-89.40000110.5
268G66.2Low73Confident19 Ų1942.5 Ų42.520%0.19621%0.206CC..THydrogen-bonded Turntrans93.2-7.9-176.700000114.9V253 E266V253-G268 PolarHBondContact N-O 3.36Å; E266-G268 PolarHBondContact O-N 3.03Å
269L80.2Confident73.2Confident10 Ų1042.5 Ų42.55%0.05221%0.206CC..EExtended strand (participates in β ladder)trans-90.2142.5169.1-171.867.4000110.9V253 I255 Y264 E266 I366V253-L269 HydrophobicContact CB-CD1 4.18Å; V253-L269 HydrophobicContact CG1-CD1 3.81Å; V253-L269 CarbonylContact O-C 3.49Å; V253-L269 WeakPolarHBondContact O-CA 3.19Å; I255-L269 HydrophobicContact CD1-CD1 4.19Å; I255-L269 HydrophobicContact CD1-CD2 4.24Å; I255-L269 HydrophobicContact CG1-CD1 4.17Å; Y264-L269 HydrophobicContact CG-CD2 4.19Å; E266-L269 HydrophobicContact CB-CB 4.46Å; E266-L269 WeakPolarHBondContact O-CB 3.34Å; E266-L269 PolarHBondContact O-N 3.49Å; L269-I366 HydrophobicContact CD1-CG2 4.1Å; L269-I366 HydrophobicContact CD2-CD1 4.46Å; L269-I366 HydrophobicContact CD2-CG2 4.28Å
270R86Confident73.3Confident104 Ų10443.5 Ų43.539%0.39222%0.221SC..EExtended strand (participates in β ladder)trans-131.7149.4173.4-67.9-67.8-180-99.14.9109.5Y249 F252 V253 V254 I255Y249-R270 HydrophobicContact CD1-CB 4.12Å; Y249-R270 HydrophobicContact CD1-CG 4.36Å; Y249-R270 HydrophobicContact CE1-CB 4.15Å; F252-R270 HydrophobicContact CB-CG 3.87Å; F252-R270 HydrophobicContact CD1-CG 3.99Å; F252-R270 HydrophobicContact CD2-CG 4.49Å; F252-R270 HydrophobicContact CG-CG 3.86Å; V253-R270 PolarHBondContact O-N 3.04Å; V254-R270 CarbonylContact C-O 3.55Å; V254-R270 VanDerWaalsContact CA-O 3.3Å; V254-R270 WeakPolarHBondContact CA-O 3.48Å; V254-R270 HydrophobicContact CG2-CB 3.83Å; I255-R270 PolarHBondContact N-O 3.5Å
271I88.7Confident74.4Confident10 Ų1043.9 Ų43.95%0.05123%0.232CC..EExtended strand (participates in β ladder)trans-120.5133.8174.2-64.9163.5000107.7I255 V257 Y261 F302 D303I255-I271 HydrophobicContact CB-CG1 4.3Å; I255-I271 WeakPolarHBondContact O-CA 3.22Å; V257-I271 HydrophobicContact CG1-CG2 4.21Å; Y261-I271 HydrophobicContact CD1-CD1 3.89Å; Y261-I271 HydrophobicContact CD1-CG1 4.35Å; Y261-I271 HydrophobicContact CD1-CG2 4.35Å; Y261-I271 HydrophobicContact CE1-CD1 4.31Å; I271-F302 HydrophobicContact CB-CB 3.74Å; I271-F302 HydrophobicContact CB-CD1 4.48Å; I271-F302 HydrophobicContact CB-CD2 4.46Å; I271-F302 HydrophobicContact CB-CG 4Å; I271-F302 HydrophobicContact CD1-CD1 4.42Å; I271-F302 HydrophobicContact CG2-CB 4.18Å; I271-F302 HydrophobicContact CG2-CD1 4.39Å; I271-F302 HydrophobicContact CG2-CD2 3.94Å; I271-F302 HydrophobicContact CG2-CE2 4.45Å; I271-F302 HydrophobicContact CG2-CG 3.92Å; I271-D303 PolarHBondContact O-N 2.75Å
272A93.2Very high75.1Confident0 Ų047.1 Ų47.10%025%0.247CC..EExtended strand (participates in β ladder)trans-121.8107.3175.400000109.1Y249 V254 I255 I256 V257 F274 Y305Y249-A272 HydrophobicContact CE2-CB 4.11Å; Y249-A272 WeakPolarHBondContact OH-CB 3.42Å; V254-A272 HydrophobicContact CG1-CB 4.29Å; I255-A272 PolarHBondContact O-N 3.2Å; I256-A272 WeakPolarHBondContact CA-O 3.41Å; I256-A272 HydrophobicContact CG1-CB 4.41Å; V257-A272 PolarHBondContact N-O 3.07Å; A272-F274 HydrophobicContact CB-CE2 3.96Å; A272-Y305 HydrophobicContact CB-CD2 4.43Å; A272-Y305 HydrophobicContact CB-CE2 3.89Å
273A93.5Very high76.2Confident1 Ų142.3 Ų42.31%0.00823%0.225CC..EExtended strand (participates in β ladder)trans-98125.7-177.200000111.5V257 P275 F302 D303 Y305V257-A273 HydrophobicContact CG1-CB 4.22Å; A273-P275 WeakPolarHBondContact O-CD 3.35Å; A273-F302 HydrophobicContact CB-CD2 4.16Å; A273-F302 HydrophobicContact CB-CE2 3.76Å; A273-D303 PolarHBondContact N-O 2.92Å; A273-Y305 PolarHBondContact O-N 3.29Å
274F95.6Very high77.7Confident0 Ų041.9 Ų41.90%023%0.231CC..  trans-11790.9-179.7-72.8-94.5000110.1A236 M246 I256 V257 N258 A272 C276 Y305 I308 L318 W319A236-F274 HydrophobicContact CB-CE1 3.71Å; A236-F274 HydrophobicContact CB-CZ 4.29Å; M246-F274 HydrophobicContact CE-CZ 4.09Å; M246-F274 HydrophobicContact SD-CZ 4.35Å; I256-F274 HydrophobicContact CG2-CD2 3.74Å; I256-F274 HydrophobicContact CG2-CE2 3.73Å; V257-F274 PolarHBondContact O-N 3.17Å; N258-F274 CarbonylContact C-O 3.53Å; N258-F274 WeakPolarHBondContact CA-O 3.45Å; A272-F274 HydrophobicContact CB-CE2 3.96Å; F274-C276 PolarHBondContact O-N 2.94Å; F274-Y305 HydrophobicContact CD1-CD2 4.36Å; F274-Y305 AromaticContact CD1-CG 3.95Å; F274-Y305 HydrophobicContact CD1-CG 3.95Å; F274-Y305 HydrophobicContact CD2-CD2 4.19Å; F274-Y305 AromaticContact CE1-CD1 3.85Å; F274-Y305 HydrophobicContact CE1-CD1 3.85Å; F274-Y305 AromaticContact CE1-CD2 3.93Å; F274-Y305 HydrophobicContact CE1-CD2 3.93Å; F274-Y305 AromaticContact CE1-CG 3.5Å; F274-Y305 HydrophobicContact CE1-CG 3.5Å; F274-Y305 AromaticContact CE2-CD2 3.72Å; F274-Y305 HydrophobicContact CE2-CD2 3.72Å; F274-Y305 HydrophobicContact CE2-CE2 4.06Å; F274-Y305 HydrophobicContact CE2-CG 4.19Å; F274-Y305 HydrophobicContact CG-CD2 4.49Å; F274-Y305 HydrophobicContact CG-CG 4.48Å; F274-Y305 AromaticContact CZ-CD1 3.99Å; F274-Y305 HydrophobicContact CZ-CD1 3.99Å; F274-Y305 AromaticContact CZ-CD2 3.57Å; F274-Y305 HydrophobicContact CZ-CD2 3.57Å; F274-Y305 HydrophobicContact CZ-CE1 4.29Å; F274-Y305 AromaticContact CZ-CE2 3.89Å; F274-Y305 HydrophobicContact CZ-CE2 3.89Å; F274-Y305 AromaticContact CZ-CG 3.63Å; F274-Y305 HydrophobicContact CZ-CG 3.63Å; F274-I308 HydrophobicContact CB-CD1 3.9Å; F274-I308 HydrophobicContact CB-CG1 4.05Å; F274-I308 HydrophobicContact CD1-CD1 3.51Å; F274-I308 HydrophobicContact CD1-CG1 4.07Å; F274-I308 HydrophobicContact CE1-CD1 4.36Å; F274-I308 HydrophobicContact CG-CD1 4Å; F274-L318 HydrophobicContact CE1-CD2 4.25Å; F274-L318 HydrophobicContact CE2-CD2 4.11Å; F274-L318 HydrophobicContact CZ-CD2 3.64Å; F274-W319 HydrophobicContact CB-CZ2 4.47Å; F274-W319 AromaticContact CG-NE1 3.9Å
275P93.9Very high79.2Confident4 Ų445 Ų453%0.02625%0.245CC..  trans-51.9141.1178-21.632.1000111.7I239 A273 E283 I290 Y305 K307 I308I239-P275 HydrophobicContact CD1-CG 4.39Å; A273-P275 WeakPolarHBondContact O-CD 3.35Å; P275-E283 HydrophobicContact CB-CG 3.91Å; P275-I290 HydrophobicContact CB-CD1 3.99Å; P275-I290 HydrophobicContact CB-CG2 4.5Å; P275-I290 HydrophobicContact CG-CD1 4.38Å; P275-I290 HydrophobicContact CG-CG2 4.02Å; P275-Y305 WeakPolarHBondContact CD-O 3.32Å; P275-K307 HydrophobicContact CB-CB 4.46Å; P275-K307 VanDerWaalsContact O-CA 3.27Å; P275-K307 WeakPolarHBondContact O-CA 3.31Å; P275-I308 PolarHBondContact O-N 2.98Å
276C88.3Confident81.1Confident0 Ų039.8 Ų39.80%023%0.233CC..  trans-145.6131.3-178.1-173.40000110.9N258 F274 F279 I308 V310N258-C276 HydrophobicContact CB-CB 4.32Å; F274-C276 PolarHBondContact O-N 2.94Å; C276-F279 HydrophobicContact CB-CD2 4.36Å; C276-F279 HydrophobicContact CB-CE2 4.13Å; C276-I308 PolarHBondContact SG-O 3.19Å; C276-V310 HydrophobicContact CB-CG1 4.3Å
277N87.7Confident83Confident56 Ų5638.5 Ų38.530%0.29923%0.227SC..  trans-101.712-179.2-159.736.9000113.9F279 G281 Q282 E283 K307N277-F279 PolarHBondContact O-N 2.84Å; N277-G281 WeakPolarHBondContact OD1-CA 3.39Å; N277-G281 PolarHBondContact OD1-O 3.21Å; N277-Q282 PolarHBondContact OD1-N 2.88Å; N277-E283 HydrophobicContact CB-CB 4.35Å; N277-E283 WeakPolarHBondContact CB-O 2.97Å; N277-E283 VanDerWaalsContact CG-C 3.48Å; N277-E283 VanDerWaalsContact CG-O 3.27Å; N277-E283 WeakPolarHBondContact OD1-CA 3.1Å; N277-E283 PolarHBondContact OD1-N 3Å; N277-E283 PolarHBondContact OD1-O 2.65Å; N277-K307 HydrophobicContact CB-CD 4Å
278Q82Confident84.9Confident48 Ų4837 Ų3722%0.22422%0.221CC..THydrogen-bonded Turntrans-75.9-3.5-178.8-64.7-173-55.500113.8N309 N311Q278-N309 WeakPolarHBondContact CG-OD1 3.41Å; Q278-N309 PolarHBondContact NE2-OD1 2.83Å; Q278-N311 PolarHBondContact NE2-O 3.05Å
279F80.2Confident86.1Confident0 Ų040.5 Ų40.50%023%0.233CC..THydrogen-bonded Turntrans-121.490.8-171.5-50.7-71.8000110N258 C276 N277 G281 Q282 V310 I334 W336 N337N258-F279 WeakPolarHBondContact ND2-CE2 3.21Å; C276-F279 HydrophobicContact CB-CD2 4.36Å; C276-F279 HydrophobicContact CB-CE2 4.13Å; N277-F279 PolarHBondContact O-N 2.84Å; F279-G281 PolarHBondContact O-N 2.92Å; F279-Q282 WeakPolarHBondContact O-CG 3.31Å; F279-Q282 PolarHBondContact O-N 3.49Å; F279-V310 HydrophobicContact CE2-CG2 3.6Å; F279-V310 HydrophobicContact CZ-CG2 3.42Å; F279-V310 VanDerWaalsContact CZ-CG2 3.42Å; F279-I334 HydrophobicContact CE1-CG2 4.25Å; F279-I334 WeakPolarHBondContact CE1-O 3.44Å; F279-I334 HydrophobicContact CE2-CG2 4.32Å; F279-I334 HydrophobicContact CZ-CB 3.94Å; F279-I334 HydrophobicContact CZ-CG2 3.59Å; F279-W336 HydrophobicContact CB-CD2 4.18Å; F279-W336 HydrophobicContact CB-CE3 4.08Å; F279-W336 HydrophobicContact CB-CH2 4.41Å; F279-W336 HydrophobicContact CB-CZ3 4.19Å; F279-W336 HydrophobicContact CD1-CE3 4.18Å; F279-N337 WeakPolarHBondContact CB-OD1 3.44Å; F279-N337 WeakPolarHBondContact CD2-OD1 3.47Å
280G72.2Confident86.6Confident37 Ų3740.1 Ų40.138%0.38123%0.231SC..THydrogen-bonded Turntrans62.322.8176.500000116.1S80 Q282S80-G280 WeakPolarHBondContact OG-CA 2.86Å; S80-G280 PolarHBondContact OG-N 3.37Å; G280-Q282 PolarHBondContact O-N 2.81Å
281G73.9Confident86.9Confident39 Ų3938.3 Ų38.340%0.40223%0.225SC..THydrogen-bonded Turntrans63.824.1178.700000113.5N277 F279 E283 P284N277-G281 WeakPolarHBondContact OD1-CA 3.39Å; N277-G281 PolarHBondContact OD1-O 3.21Å; F279-G281 PolarHBondContact O-N 2.92Å; G281-E283 VanDerWaalsContact C-N 3.27Å; G281-E283 PolarHBondContact O-N 2.98Å; G281-P284 VanDerWaalsContact O-CD 3.29Å; G281-P284 WeakPolarHBondContact O-CD 2.82Å
282Q71.2Confident87Confident81 Ų8145.7 Ų45.738%0.37926%0.257SS..  trans-77.4-7.6-172.4-68-172.35.300114.5N277 F279 G280 N337N277-Q282 PolarHBondContact OD1-N 2.88Å; F279-Q282 WeakPolarHBondContact O-CG 3.31Å; F279-Q282 PolarHBondContact O-N 3.49Å; G280-Q282 PolarHBondContact O-N 2.81Å; Q282-N337 PolarHBondContact OE1-ND2 3.25Å
283E78.2Confident86.6Confident21 Ų2149.9 Ų49.910%0.09828%0.276CS..  trans-12956176.2-157.371.4-91.600111.2P275 N277 G281 K285 I290 K307P275-E283 HydrophobicContact CB-CG 3.91Å; N277-E283 HydrophobicContact CB-CB 4.35Å; N277-E283 WeakPolarHBondContact CB-O 2.97Å; N277-E283 VanDerWaalsContact CG-C 3.48Å; N277-E283 VanDerWaalsContact CG-O 3.27Å; N277-E283 WeakPolarHBondContact OD1-CA 3.1Å; N277-E283 PolarHBondContact OD1-N 3Å; N277-E283 PolarHBondContact OD1-O 2.65Å; G281-E283 VanDerWaalsContact C-N 3.27Å; G281-E283 PolarHBondContact O-N 2.98Å; E283-K285 PolarHBondContact O-N 3.04Å; E283-I290 HydrophobicContact CG-CD1 3.64Å; E283-I290 HydrophobicContact CG-CG1 4.26Å; E283-K307 PolarHBondContact O-NZ 3.06Å
284P84.9Confident86.1Confident87 Ų8749.9 Ų49.957%0.56528%0.275SS*.  trans-74.8-21.6-172.232.9-33.3000111.6G281G281-P284 VanDerWaalsContact O-CD 3.29Å; G281-P284 WeakPolarHBondContact O-CD 2.82Å
285K87.8Confident85.6Confident92 Ų9252.6 Ų52.640%0.429%0.292SS..SBendtrans-67.5155.7-172.3-66.4-175.5175.1-164.20112.6E283 E289 I290 K307E283-K285 PolarHBondContact O-N 3.04Å; K285-E289 HydrophobicContact CB-CB 4.08Å; K285-E289 HydrophobicContact CD-CB 4.22Å; K285-E289 WeakPolarHBondContact CD-OE2 3.19Å; K285-E289 IonicContact NZ-OE2 3.59Å; K285-I290 HydrophobicContact CB-CG1 4.18Å; K285-K307 PolarHBondContact O-NZ 3.03Å
286P90.2Very high85.1Confident63 Ų6355.6 Ų55.641%0.40932%0.324SS..  trans-71.4158.1170.130.6-34.6000111.3A288 E289 I290P286-A288 VanDerWaalsContact C-N 3.27Å; P286-A288 PolarHBondContact O-N 3.2Å; P286-E289 HydrophobicContact CG-CB 4.18Å; P286-E289 HydrophobicContact CG-CG 4.01Å; P286-E289 WeakPolarHBondContact O-CB 2.91Å; P286-E289 PolarHBondContact O-N 3.36Å; P286-I290 WeakPolarHBondContact O-CG1 3.11Å; P286-I290 PolarHBondContact O-N 2.91Å
287E94Very high84.5Confident29 Ų2961.6 Ų61.614%0.13635%0.35CS..Hα-helixtrans-53.7-41.1-175.2-71.870.5-163.700112.5I239 F241 E289 I290 K291 A306 K307I239-E287 HydrophobicContact CD1-CB 3.78Å; I239-E287 HydrophobicContact CD1-CG 4.03Å; I239-E287 HydrophobicContact CG1-CB 4.28Å; F241-E287 HydrophobicContact CE1-CG 4.25Å; F241-E287 HydrophobicContact CE2-CB 4.05Å; F241-E287 HydrophobicContact CE2-CG 4.12Å; F241-E287 HydrophobicContact CZ-CB 4.08Å; F241-E287 VanDerWaalsContact CZ-CD 3.43Å; F241-E287 HydrophobicContact CZ-CG 3.66Å; F241-E287 WeakPolarHBondContact CZ-OE2 3.31Å; E287-E289 VanDerWaalsContact C-N 3.32Å; E287-E289 PolarHBondContact O-N 3.44Å; E287-I290 PolarHBondContact O-N 3.3Å; E287-K291 WeakPolarHBondContact O-CB 3.26Å; E287-K291 PolarHBondContact O-N 3.46Å; E287-A306 HydrophobicContact CG-CB 4.18Å; E287-K307 WeakPolarHBondContact OE1-CB 3.44Å; E287-K307 PolarHBondContact OE1-N 3.29Å
288A94.2Very high83.7Confident75 Ų7562.6 Ų62.662%0.6235%0.35SS*.Hα-helixtrans-61.4-38.4177.500000112.8P286 K292P286-A288 VanDerWaalsContact C-N 3.27Å; P286-A288 PolarHBondContact O-N 3.2Å; A288-K292 WeakPolarHBondContact O-CB 3.36Å; A288-K292 PolarHBondContact O-N 3.49Å
289E93.1Very high83.5Confident94 Ų9465.9 Ų65.944%0.43937%0.369SS..Hα-helixtrans-74.3-37.1175.7-78.4-172.4-127.800112.1K285 P286 E287 K292 F293K285-E289 HydrophobicContact CB-CB 4.08Å; K285-E289 HydrophobicContact CD-CB 4.22Å; K285-E289 WeakPolarHBondContact CD-OE2 3.19Å; K285-E289 IonicContact NZ-OE2 3.59Å; P286-E289 HydrophobicContact CG-CB 4.18Å; P286-E289 HydrophobicContact CG-CG 4.01Å; P286-E289 WeakPolarHBondContact O-CB 2.91Å; P286-E289 PolarHBondContact O-N 3.36Å; E287-E289 VanDerWaalsContact C-N 3.32Å; E287-E289 PolarHBondContact O-N 3.44Å; E289-K292 PolarHBondContact O-N 2.91Å; E289-F293 VanDerWaalsContact O-CB 3.28Å; E289-F293 WeakPolarHBondContact O-CB 3.42Å; E289-F293 PolarHBondContact O-N 2.93Å
290I89.4Confident83.4Confident2 Ų266.5 Ų66.51%0.0137%0.373CS..Hα-helixtrans-60.2-49.9174.5-63.2168.8000109.3I239 P275 E283 K285 P286 E287 K292 F293 A294I239-I290 HydrophobicContact CD1-CB 4.43Å; I239-I290 HydrophobicContact CD1-CG2 4.36Å; P275-I290 HydrophobicContact CB-CD1 3.99Å; P275-I290 HydrophobicContact CB-CG2 4.5Å; P275-I290 HydrophobicContact CG-CD1 4.38Å; P275-I290 HydrophobicContact CG-CG2 4.02Å; E283-I290 HydrophobicContact CG-CD1 3.64Å; E283-I290 HydrophobicContact CG-CG1 4.26Å; K285-I290 HydrophobicContact CB-CG1 4.18Å; P286-I290 WeakPolarHBondContact O-CG1 3.11Å; P286-I290 PolarHBondContact O-N 2.91Å; E287-I290 PolarHBondContact O-N 3.3Å; I290-K292 PolarHBondContact O-N 3.31Å; I290-F293 PolarHBondContact O-N 3.24Å; I290-A294 VanDerWaalsContact O-CB 3.31Å; I290-A294 WeakPolarHBondContact O-CB 3.31Å; I290-A294 PolarHBondContact O-N 2.82Å
291K92Very high83.7Confident65 Ų6569.2 Ų69.228%0.28338%0.382SS..Hα-helixtrans-55.8-52176.1-172.7177.8-178.7171.60111.2I239 D240 E287 F293 A294 T295 M304I239-K291 HydrophobicContact CG1-CB 3.8Å; I239-K291 HydrophobicContact CG1-CG 4.4Å; I239-K291 HydrophobicContact CG2-CD 3.8Å; I239-K291 HydrophobicContact CG2-CG 4.21Å; D240-K291 IonicContact OD1-NZ 2.69Å; D240-K291 PolarHBondContact OD1-NZ 3.02Å; D240-K291 IonicContact OD2-NZ 3.69Å; D240-K291 PolarHBondContact OD2-NZ 3.37Å; E287-K291 WeakPolarHBondContact O-CB 3.26Å; E287-K291 PolarHBondContact O-N 3.46Å; K291-F293 VanDerWaalsContact C-N 3.32Å; K291-F293 PolarHBondContact O-N 3.15Å; K291-A294 PolarHBondContact O-N 2.93Å; K291-T295 HydrophobicContact CG-CG2 4.41Å; K291-T295 WeakPolarHBondContact O-CG2 3.46Å; K291-T295 PolarHBondContact O-N 3.16Å; K291-T295 PolarHBondContact O-OG1 2.72Å; K291-M304 HydrophobicContact CB-CE 4.45Å; K291-M304 HydrophobicContact CG-CE 3.88Å
292K91.5Very high84.3Confident165 Ų16568.9 Ų68.972%0.71737%0.369SS*.Hα-helixtrans-60.7-40.7-179.1-176.1178.6179.1-1800112.1A288 E289 I290 G296A288-K292 WeakPolarHBondContact O-CB 3.36Å; A288-K292 PolarHBondContact O-N 3.49Å; E289-K292 PolarHBondContact O-N 2.91Å; I290-K292 PolarHBondContact O-N 3.31Å; K292-G296 WeakPolarHBondContact O-CA 3.2Å; K292-G296 PolarHBondContact O-N 3.41Å
293F85.9Confident85.3Confident89 Ų8966.9 Ų66.939%0.3936%0.361SS..Hα-helixtrans-66.4-47.2176.8178.9-104.2000111.3L260 E289 I290 K291 K297 Y298L260-F293 HydrophobicContact CD1-CD1 4.44Å; E289-F293 VanDerWaalsContact O-CB 3.28Å; E289-F293 WeakPolarHBondContact O-CB 3.42Å; E289-F293 PolarHBondContact O-N 2.93Å; I290-F293 PolarHBondContact O-N 3.24Å; K291-F293 VanDerWaalsContact C-N 3.32Å; K291-F293 PolarHBondContact O-N 3.15Å; F293-K297 HydrophobicContact CD2-CD 4.32Å; F293-K297 HydrophobicContact CE1-CD 4.41Å; F293-K297 HydrophobicContact CE2-CD 3.51Å; F293-K297 HydrophobicContact CZ-CD 3.57Å; F293-K297 WeakPolarHBondContact O-CB 3.3Å; F293-K297 PolarHBondContact O-N 3.09Å; F293-Y298 HydrophobicContact CD1-CE2 4.2Å; F293-Y298 AromaticContact CE1-CE2 3.58Å; F293-Y298 HydrophobicContact CE1-CE2 3.58Å; F293-Y298 AromaticContact CZ-CE2 3.98Å; F293-Y298 HydrophobicContact CZ-CE2 3.98Å
294A82.7Confident86Confident0 Ų066.8 Ų66.80%036%0.361CS..Hα-helixtrans-60.7-52.7179.700000112.7L260 I290 K291 Y298 N299 V300 M304L260-A294 HydrophobicContact CD1-CB 3.7Å; L260-A294 HydrophobicContact CD2-CB 3.43Å; L260-A294 VanDerWaalsContact CD2-CB 3.43Å; L260-A294 HydrophobicContact CG-CB 4.22Å; I290-A294 VanDerWaalsContact O-CB 3.31Å; I290-A294 WeakPolarHBondContact O-CB 3.31Å; I290-A294 PolarHBondContact O-N 2.82Å; K291-A294 PolarHBondContact O-N 2.93Å; A294-Y298 PolarHBondContact O-N 3.49Å; A294-N299 PolarHBondContact O-N 2.87Å; A294-V300 HydrophobicContact CB-CB 4.24Å; A294-V300 HydrophobicContact CB-CG2 4.06Å; A294-V300 WeakPolarHBondContact O-CG2 3.26Å; A294-M304 HydrophobicContact CB-CE 4.31Å; A294-M304 HydrophobicContact CB-SD 3.6Å; A294-M304 VanDerWaalsContact CB-SD 3.6Å
295T84.1Confident86.5Confident57 Ų5762.8 Ų62.835%0.3534%0.335SS..Hα-helixtrans-72.4-40.4-178.159.10000111.6K291 N299 M304K291-T295 HydrophobicContact CG-CG2 4.41Å; K291-T295 WeakPolarHBondContact O-CG2 3.46Å; K291-T295 PolarHBondContact O-N 3.16Å; K291-T295 PolarHBondContact O-OG1 2.72Å; T295-N299 VanDerWaalsContact O-CA 3.26Å; T295-N299 WeakPolarHBondContact O-CA 3.24Å; T295-N299 PolarHBondContact O-N 2.92Å; T295-N299 VanDerWaalsContact O-N 3.12Å; T295-M304 HydrophobicContact CG2-CE 3.99Å
296G83.2Confident87Confident67 Ų6758.7 Ų58.769%0.69132%0.318SS*.Hα-helixtrans-72.2-37-178.300000113.9K292K292-G296 WeakPolarHBondContact O-CA 3.2Å; K292-G296 PolarHBondContact O-N 3.41Å
297K76.3Confident87.2Confident127 Ų12758.7 Ų58.755%0.55231%0.312SS*.Hα-helixtrans-91.7-38.9-176.2-170.8174.8175.4-166.70113.4F293F293-K297 HydrophobicContact CD2-CD 4.32Å; F293-K297 HydrophobicContact CE1-CD 4.41Å; F293-K297 HydrophobicContact CE2-CD 3.51Å; F293-K297 HydrophobicContact CZ-CD 3.57Å; F293-K297 WeakPolarHBondContact O-CB 3.3Å; F293-K297 PolarHBondContact O-N 3.09Å
298Y71.2Confident87.3Confident77 Ų7758.5 Ų58.530%0.30231%0.312SS..Hα-helixtrans-120.23.6-170.3-52-73.9000113.2E262 F293 A294 V300E262-Y298 WeakPolarHBondContact OE2-CD1 3.35Å; F293-Y298 HydrophobicContact CD1-CE2 4.2Å; F293-Y298 AromaticContact CE1-CE2 3.58Å; F293-Y298 HydrophobicContact CE1-CE2 3.58Å; F293-Y298 AromaticContact CZ-CE2 3.98Å; F293-Y298 HydrophobicContact CZ-CE2 3.98Å; A294-Y298 PolarHBondContact O-N 3.49Å; Y298-V300 PolarHBondContact O-N 2.83Å; Y298-V300 VanDerWaalsContact O-N 3.16Å
299N78Confident87.2Confident116 Ų11658 Ų5862%0.6230%0.299SS*.  trans49.943.6-179.6-164.332.9000113R265 A294 T295 T301R265-N299 PolarHBondContact NH2-O 3.16Å; A294-N299 PolarHBondContact O-N 2.87Å; T295-N299 VanDerWaalsContact O-CA 3.26Å; T295-N299 WeakPolarHBondContact O-CA 3.24Å; T295-N299 PolarHBondContact O-N 2.92Å; T295-N299 VanDerWaalsContact O-N 3.12Å; N299-T301 PolarHBondContact O-N 3.38Å
300V77.5Confident87.3Confident14 Ų1453.6 Ų53.69%0.08528%0.278CS..  trans-60.8127.4-179.6166.10000110.7L260 A294 Y298 F302 M304L260-V300 HydrophobicContact CD2-CG2 4.23Å; A294-V300 HydrophobicContact CB-CB 4.24Å; A294-V300 HydrophobicContact CB-CG2 4.06Å; A294-V300 WeakPolarHBondContact O-CG2 3.26Å; Y298-V300 PolarHBondContact O-N 2.83Å; Y298-V300 VanDerWaalsContact O-N 3.16Å; V300-F302 HydrophobicContact CB-CE1 4.05Å; V300-F302 HydrophobicContact CB-CE2 4.48Å; V300-F302 HydrophobicContact CB-CZ 4.01Å; V300-F302 HydrophobicContact CG1-CD1 3.79Å; V300-F302 HydrophobicContact CG1-CD2 3.6Å; V300-F302 HydrophobicContact CG1-CE1 3.52Å; V300-F302 HydrophobicContact CG1-CE2 3.34Å; V300-F302 HydrophobicContact CG1-CG 3.81Å; V300-F302 HydrophobicContact CG1-CZ 3.3Å; V300-F302 HydrophobicContact CG2-CE1 3.65Å; V300-F302 HydrophobicContact CG2-CE2 4.34Å; V300-F302 HydrophobicContact CG2-CZ 3.5Å; V300-F302 VanDerWaalsContact CG2-CZ 3.5Å; V300-M304 HydrophobicContact CG1-CE 4.2Å; V300-M304 HydrophobicContact CG1-CG 4.21Å; V300-M304 HydrophobicContact CG1-SD 3.94Å
301T79Confident87.2Confident93 Ų9353.6 Ų53.657%0.57128%0.278SS*.  trans-118.8-1.3175.363.90000113.3R265 N299R265-T301 VanDerWaalsContact CZ-OG1 3.25Å; R265-T301 PolarHBondContact NH2-OG1 2.81Å; N299-T301 PolarHBondContact O-N 3.38Å
302F86.6Confident87Confident32 Ų3253.4 Ų53.414%0.1430%0.295CS..SBendtrans-82.2166176.653.2-104.3000111.4L260 Y261 I271 A273 V300 M304L260-F302 HydrophobicContact CD2-CE2 3.94Å; L260-F302 HydrophobicContact CD2-CZ 3.94Å; Y261-F302 WeakPolarHBondContact O-CE1 3.27Å; Y261-F302 WeakPolarHBondContact O-CZ 3.27Å; I271-F302 HydrophobicContact CB-CB 3.74Å; I271-F302 HydrophobicContact CB-CD1 4.48Å; I271-F302 HydrophobicContact CB-CD2 4.46Å; I271-F302 HydrophobicContact CB-CG 4Å; I271-F302 HydrophobicContact CD1-CD1 4.42Å; I271-F302 HydrophobicContact CG2-CB 4.18Å; I271-F302 HydrophobicContact CG2-CD1 4.39Å; I271-F302 HydrophobicContact CG2-CD2 3.94Å; I271-F302 HydrophobicContact CG2-CE2 4.45Å; I271-F302 HydrophobicContact CG2-CG 3.92Å; A273-F302 HydrophobicContact CB-CD2 4.16Å; A273-F302 HydrophobicContact CB-CE2 3.76Å; V300-F302 HydrophobicContact CB-CE1 4.05Å; V300-F302 HydrophobicContact CB-CE2 4.48Å; V300-F302 HydrophobicContact CB-CZ 4.01Å; V300-F302 HydrophobicContact CG1-CD1 3.79Å; V300-F302 HydrophobicContact CG1-CD2 3.6Å; V300-F302 HydrophobicContact CG1-CE1 3.52Å; V300-F302 HydrophobicContact CG1-CE2 3.34Å; V300-F302 HydrophobicContact CG1-CG 3.81Å; V300-F302 HydrophobicContact CG1-CZ 3.3Å; V300-F302 HydrophobicContact CG2-CE1 3.65Å; V300-F302 HydrophobicContact CG2-CE2 4.34Å; V300-F302 HydrophobicContact CG2-CZ 3.5Å; V300-F302 VanDerWaalsContact CG2-CZ 3.5Å; F302-M304 HydrophobicContact CD2-CG 4.33Å; F302-M304 HydrophobicContact CE2-CG 4.17Å; F302-M304 PolarHBondContact O-N 3.06Å
303D91.6Very high86.8Confident39 Ų3954.9 Ų54.921%0.20930%0.301CS..EExtended strand (participates in β ladder)trans-70.4128.4-176.3-67-33.8000110.4R248 Y249 I271 A273 Y305R248-D303 IonicContact CZ-OD1 2.77Å; R248-D303 IonicContact CZ-OD2 3.84Å; R248-D303 IonicContact NE-OD2 2.98Å; R248-D303 PolarHBondContact NE-OD2 2.79Å; R248-D303 IonicContact NH2-OD1 3.25Å; R248-D303 PolarHBondContact NH2-OD1 3.13Å; R248-D303 IonicContact NH2-OD2 2.86Å; R248-D303 PolarHBondContact NH2-OD2 3.22Å; Y249-D303 VanDerWaalsContact CE1-OD2 3.25Å; Y249-D303 WeakPolarHBondContact CE1-OD2 3.36Å; Y249-D303 WeakPolarHBondContact OH-CB 3.18Å; Y249-D303 PolarHBondContact OH-OD2 3.15Å; I271-D303 PolarHBondContact O-N 2.75Å; A273-D303 PolarHBondContact N-O 2.92Å; D303-Y305 HydrophobicContact CB-CE2 4.08Å
304M92.7Very high87Confident20 Ų2055.8 Ų55.810%0.09931%0.31CS..EExtended strand (participates in β ladder)trans-114.6137.8174.8-65.7-176.3-7100109.7I239 L260 K291 A294 T295 V300 F302I239-M304 HydrophobicContact CB-CB 3.84Å; I239-M304 WeakPolarHBondContact CB-O 3.45Å; I239-M304 HydrophobicContact CG1-CB 4.27Å; I239-M304 HydrophobicContact CG2-CB 4.02Å; I239-M304 HydrophobicContact CG2-CE 4.46Å; I239-M304 PolarHBondContact N-O 3.38Å; L260-M304 HydrophobicContact CD2-CG 4.42Å; L260-M304 HydrophobicContact CD2-SD 3.77Å; K291-M304 HydrophobicContact CB-CE 4.45Å; K291-M304 HydrophobicContact CG-CE 3.88Å; A294-M304 HydrophobicContact CB-CE 4.31Å; A294-M304 HydrophobicContact CB-SD 3.6Å; A294-M304 VanDerWaalsContact CB-SD 3.6Å; T295-M304 HydrophobicContact CG2-CE 3.99Å; V300-M304 HydrophobicContact CG1-CE 4.2Å; V300-M304 HydrophobicContact CG1-CG 4.21Å; V300-M304 HydrophobicContact CG1-SD 3.94Å; F302-M304 HydrophobicContact CD2-CG 4.33Å; F302-M304 HydrophobicContact CE2-CG 4.17Å; F302-M304 PolarHBondContact O-N 3.06Å
305Y96.6Very high87.5Confident2 Ų256.3 Ų56.31%0.00831%0.314CS..BIsolated β-bridgetrans-109.6163.7179.4-70.1-92.2000111.8A236 K237 I239 V244 M246 Y249 A272 A273 F274 P275 D303A236-Y305 HydrophobicContact CB-CD1 3.59Å; A236-Y305 HydrophobicContact CB-CE1 3.91Å; K237-Y305 CarbonylContact O-C 3.59Å; K237-Y305 WeakPolarHBondContact O-CA 3.4Å; K237-Y305 WeakPolarHBondContact O-CB 3.36Å; K237-Y305 VanDerWaalsContact O-CD1 3.29Å; K237-Y305 WeakPolarHBondContact O-CD1 3.38Å; I239-Y305 VanDerWaalsContact CD1-O 3.24Å; I239-Y305 WeakPolarHBondContact CD1-O 3.24Å; V244-Y305 HydrophobicContact CB-CE1 4.15Å; V244-Y305 HydrophobicContact CG1-CE1 4.19Å; M246-Y305 HydrophobicContact CE-CD1 4.22Å; M246-Y305 HydrophobicContact CE-CE1 3.37Å; M246-Y305 WeakPolarHBondContact CE-OH 3.35Å; Y249-Y305 WeakPolarHBondContact CE2-OH 3.2Å; Y249-Y305 WeakPolarHBondContact OH-CE2 3.5Å; Y249-Y305 PolarHBondContact OH-OH 3.04Å; A272-Y305 HydrophobicContact CB-CD2 4.43Å; A272-Y305 HydrophobicContact CB-CE2 3.89Å; A273-Y305 PolarHBondContact O-N 3.29Å; F274-Y305 HydrophobicContact CD1-CD2 4.36Å; F274-Y305 AromaticContact CD1-CG 3.95Å; F274-Y305 HydrophobicContact CD1-CG 3.95Å; F274-Y305 HydrophobicContact CD2-CD2 4.19Å; F274-Y305 AromaticContact CE1-CD1 3.85Å; F274-Y305 HydrophobicContact CE1-CD1 3.85Å; F274-Y305 AromaticContact CE1-CD2 3.93Å; F274-Y305 HydrophobicContact CE1-CD2 3.93Å; F274-Y305 AromaticContact CE1-CG 3.5Å; F274-Y305 HydrophobicContact CE1-CG 3.5Å; F274-Y305 AromaticContact CE2-CD2 3.72Å; F274-Y305 HydrophobicContact CE2-CD2 3.72Å; F274-Y305 HydrophobicContact CE2-CE2 4.06Å; F274-Y305 HydrophobicContact CE2-CG 4.19Å; F274-Y305 HydrophobicContact CG-CD2 4.49Å; F274-Y305 HydrophobicContact CG-CG 4.48Å; F274-Y305 AromaticContact CZ-CD1 3.99Å; F274-Y305 HydrophobicContact CZ-CD1 3.99Å; F274-Y305 AromaticContact CZ-CD2 3.57Å; F274-Y305 HydrophobicContact CZ-CD2 3.57Å; F274-Y305 HydrophobicContact CZ-CE1 4.29Å; F274-Y305 AromaticContact CZ-CE2 3.89Å; F274-Y305 HydrophobicContact CZ-CE2 3.89Å; F274-Y305 AromaticContact CZ-CG 3.63Å; F274-Y305 HydrophobicContact CZ-CG 3.63Å; P275-Y305 WeakPolarHBondContact CD-O 3.32Å; D303-Y305 HydrophobicContact CB-CE2 4.08Å
306A96.7Very high88.1Confident7 Ų755.2 Ų55.26%0.05831%0.305CS..  trans-61.8159171.700000110.8K237 D238 F241 E287 I308K237-A306 HydrophobicContact CB-CB 3.83Å; K237-A306 PolarHBondContact O-N 3.1Å; D238-A306 PolarHBondContact O-N 2.96Å; F241-A306 HydrophobicContact CD1-CB 4.13Å; F241-A306 HydrophobicContact CE1-CB 4.02Å; E287-A306 HydrophobicContact CG-CB 4.18Å; A306-I308 PolarHBondContact O-N 3.16Å
307K95.7Very high88.7Confident63 Ų6354.8 Ų54.827%0.27429%0.29SS..  trans-65.6134.6-179.9-174.1163.157.2-167.60110.7P275 N277 E283 K285 E287P275-K307 HydrophobicContact CB-CB 4.46Å; P275-K307 VanDerWaalsContact O-CA 3.27Å; P275-K307 WeakPolarHBondContact O-CA 3.31Å; N277-K307 HydrophobicContact CB-CD 4Å; E283-K307 PolarHBondContact O-NZ 3.06Å; K285-K307 PolarHBondContact O-NZ 3.03Å; E287-K307 WeakPolarHBondContact OE1-CB 3.44Å; E287-K307 PolarHBondContact OE1-N 3.29Å
308I95.9Very high89.8Confident25 Ų2548.7 Ų48.713%0.12826%0.264CS..  trans-133163.6-179.758.1160.1000112.3F274 P275 C276 A306 V310 H316 W319F274-I308 HydrophobicContact CB-CD1 3.9Å; F274-I308 HydrophobicContact CB-CG1 4.05Å; F274-I308 HydrophobicContact CD1-CD1 3.51Å; F274-I308 HydrophobicContact CD1-CG1 4.07Å; F274-I308 HydrophobicContact CE1-CD1 4.36Å; F274-I308 HydrophobicContact CG-CD1 4Å; P275-I308 PolarHBondContact O-N 2.98Å; C276-I308 PolarHBondContact SG-O 3.19Å; A306-I308 PolarHBondContact O-N 3.16Å; I308-V310 HydrophobicContact CD1-CG1 4.18Å; I308-V310 HydrophobicContact CG1-CG1 4.36Å; I308-H316 HydrophobicContact CB-CB 4.2Å; I308-H316 HydrophobicContact CD1-CB 3.65Å; I308-H316 HydrophobicContact CG2-CB 4.41Å; I308-W319 HydrophobicContact CD1-CG 4.23Å; I308-W319 VanDerWaalsContact CD1-NE1 3.33Å
309N92.6Very high91Very high65 Ų6545 Ų4535%0.34825%0.249SC..  trans-86.5138.5162-73.4-30.7000109.6Q278 D314 A315 H316Q278-N309 WeakPolarHBondContact CG-OD1 3.41Å; Q278-N309 PolarHBondContact NE2-OD1 2.83Å; N309-D314 WeakPolarHBondContact CB-O 3.28Å; N309-A315 CarbonylContact O-C 3.52Å; N309-A315 WeakPolarHBondContact O-CA 3.18Å; N309-H316 PolarHBondContact O-N 2.73Å
310V94.2Very high91.8Very high0 Ų041.4 Ų41.40%023%0.231CC..  trans-110.3-14.2177-56.20000112.2N258 C276 F279 I308 W319 K323 I334N258-V310 HydrophobicContact CB-CG1 4.27Å; C276-V310 HydrophobicContact CB-CG1 4.3Å; F279-V310 HydrophobicContact CE2-CG2 3.6Å; F279-V310 HydrophobicContact CZ-CG2 3.42Å; F279-V310 VanDerWaalsContact CZ-CG2 3.42Å; I308-V310 HydrophobicContact CD1-CG1 4.18Å; I308-V310 HydrophobicContact CG1-CG1 4.36Å; V310-W319 HydrophobicContact CB-CB 4.26Å; V310-W319 HydrophobicContact CB-CD2 3.63Å; V310-W319 HydrophobicContact CB-CE3 3.57Å; V310-W319 HydrophobicContact CB-CG 3.93Å; V310-W319 HydrophobicContact CB-CZ3 4.16Å; V310-W319 HydrophobicContact CG1-CB 4.5Å; V310-W319 HydrophobicContact CG1-CD2 3.36Å; V310-W319 HydrophobicContact CG1-CE3 3.72Å; V310-W319 HydrophobicContact CG1-CG 3.71Å; V310-W319 HydrophobicContact CG1-CH2 4.3Å; V310-W319 HydrophobicContact CG1-CZ2 3.99Å; V310-W319 HydrophobicContact CG1-CZ3 4.14Å; V310-W319 HydrophobicContact CG2-CE3 4.45Å; V310-K323 WeakPolarHBondContact O-CE 3.43Å; V310-K323 PolarHBondContact O-NZ 3.18Å; V310-I334 HydrophobicContact CB-CG1 4.03Å; V310-I334 HydrophobicContact CG2-CB 3.78Å; V310-I334 HydrophobicContact CG2-CG1 3.8Å; V310-I334 HydrophobicContact CG2-CG2 4.05Å
311N88.1Confident92.6Very high3 Ų340.7 Ų40.72%0.01623%0.227CC..SBendtrans-126.5160178.6-70.9-43.3000111.6R76 Q278 I334R76-N311 PolarHBondContact NH2-ND2 2.79Å; Q278-N311 PolarHBondContact NE2-O 3.05Å; N311-I334 PolarHBondContact ND2-O 3.43Å; N311-I334 PolarHBondContact OD1-N 3.32Å
312G86.2Confident93.5Very high61 Ų6136.3 Ų36.363%0.62920%0.2SC*.SBendtrans84.4-177.1178.500000113.4D314 A315G312-D314 PolarHBondContact O-N 3.39Å; G312-A315 VanDerWaalsContact O-CB 3.24Å; G312-A315 WeakPolarHBondContact O-CB 3.47Å; G312-A315 PolarHBondContact O-N 2.65Å
313K87.6Confident93.8Very high195 Ų19535.8 Ų35.885%0.84820%0.197SC*.THydrogen-bonded Turntrans-64-27.218059.7171.3-172173.70113.5A315K313-A315 VanDerWaalsContact C-N 3.3Å
314D90Very high93.9Very high108 Ų10836.4 Ų36.458%0.57821%0.208SC*.THydrogen-bonded Turntrans-95.916.8-179.6-48.4-49.6000111.6N309 G312N309-D314 WeakPolarHBondContact CB-O 3.28Å; G312-D314 PolarHBondContact O-N 3.39Å
315A93.4Very high94Very high11 Ų1139.9 Ų39.99%0.09122%0.222CC..  trans-64.2139.5176.800000110.6N309 G312 K313 V320N309-A315 CarbonylContact O-C 3.52Å; N309-A315 WeakPolarHBondContact O-CA 3.18Å; G312-A315 VanDerWaalsContact O-CB 3.24Å; G312-A315 WeakPolarHBondContact O-CB 3.47Å; G312-A315 PolarHBondContact O-N 2.65Å; K313-A315 VanDerWaalsContact C-N 3.3Å; A315-V320 HydrophobicContact CB-CG2 3.94Å
316H97Very high93.8Very high34 Ų3442 Ų4216%0.15723%0.233CC..  trans-57.6136.7176.8-168.2-83.1000110.7N235 I308 N309 L318 W319 V320N235-H316 PolarHBondContact O-CE1 3.23Å; N235-H316 PolarHBondContact O-NE2 3.48Å; I308-H316 HydrophobicContact CB-CB 4.2Å; I308-H316 HydrophobicContact CD1-CB 3.65Å; I308-H316 HydrophobicContact CG2-CB 4.41Å; N309-H316 PolarHBondContact O-N 2.73Å; H316-L318 VanDerWaalsContact C-N 3.3Å; H316-L318 WeakPolarHBondContact ND1-CB 3.44Å; H316-L318 PolarHBondContact ND1-N 3.15Å; H316-L318 PolarHBondContact O-N 2.96Å; H316-W319 WeakPolarHBondContact O-CA 3.49Å; H316-W319 PolarHBondContact O-N 2.96Å; H316-V320 PolarHBondContact O-N 2.71Å
317P96.7Very high93.1Very high58 Ų5843.8 Ų43.838%0.37725%0.251SS..Hα-helixtrans-51-43.8-177.6-31.636.7000114.2P225 F234 W319 V320 Y321P225-P317 HydrophobicContact CB-CB 3.88Å; P225-P317 HydrophobicContact CG-CB 3.85Å; P225-P317 HydrophobicContact CG-CG 4.49Å; F234-P317 HydrophobicContact CD1-CB 3.91Å; F234-P317 HydrophobicContact CE1-CB 3.97Å; P317-W319 VanDerWaalsContact C-N 3.29Å; P317-W319 PolarHBondContact O-N 2.92Å; P317-V320 WeakPolarHBondContact O-CB 3.27Å; P317-V320 PolarHBondContact O-N 2.73Å; P317-V320 VanDerWaalsContact O-N 3.1Å; P317-Y321 PolarHBondContact O-N 3.39Å
318L97.8Very high91.8Very high0 Ų041.9 Ų41.90%025%0.25CC..Hα-helixtrans-54-43.3173.3177.362.2000112.5I231 F234 M246 I256 F274 H316 Y321 L322I231-L318 HydrophobicContact CB-CD1 4.04Å; I231-L318 HydrophobicContact CG2-CD1 3.87Å; F234-L318 HydrophobicContact CB-CB 4.13Å; F234-L318 HydrophobicContact CB-CD1 4.31Å; F234-L318 HydrophobicContact CD1-CB 4.42Å; F234-L318 HydrophobicContact CD2-CB 4.28Å; F234-L318 HydrophobicContact CD2-CD1 3.55Å; F234-L318 HydrophobicContact CE2-CD1 4.18Å; F234-L318 HydrophobicContact CG-CB 4Å; F234-L318 HydrophobicContact CG-CD1 4.07Å; M246-L318 HydrophobicContact CG-CD2 4.38Å; M246-L318 HydrophobicContact SD-CD2 4.04Å; I256-L318 HydrophobicContact CD1-CD1 4.42Å; I256-L318 HydrophobicContact CD1-CD2 4.35Å; F274-L318 HydrophobicContact CE1-CD2 4.25Å; F274-L318 HydrophobicContact CE2-CD2 4.11Å; F274-L318 HydrophobicContact CZ-CD2 3.64Å; H316-L318 VanDerWaalsContact C-N 3.3Å; H316-L318 WeakPolarHBondContact ND1-CB 3.44Å; H316-L318 PolarHBondContact ND1-N 3.15Å; H316-L318 PolarHBondContact O-N 2.96Å; L318-Y321 WeakPolarHBondContact O-CB 3.47Å; L318-Y321 PolarHBondContact O-N 2.9Å; L318-L322 HydrophobicContact CD1-CD1 4.16Å; L318-L322 HydrophobicContact CD1-CG 4.2Å; L318-L322 HydrophobicContact CG-CD1 3.93Å; L318-L322 HydrophobicContact CG-CG 4.4Å; L318-L322 WeakPolarHBondContact O-CB 3.46Å; L318-L322 WeakPolarHBondContact O-CG 3.48Å; L318-L322 PolarHBondContact O-N 3.02Å
319W96.4Very high90.2Very high0 Ų047 Ų470%028%0.283CS..Hα-helixtrans-73.7-30.6179.2-8280000112.4I256 N258 F274 I308 V310 H316 P317 K323 I334 F341I256-W319 HydrophobicContact CG2-CZ2 4.35Å; N258-W319 HydrophobicContact CB-CH2 3.43Å; N258-W319 VanDerWaalsContact CB-CH2 3.43Å; N258-W319 HydrophobicContact CB-CZ2 3.59Å; N258-W319 HydrophobicContact CB-CZ3 4.29Å; F274-W319 HydrophobicContact CB-CZ2 4.47Å; F274-W319 AromaticContact CG-NE1 3.9Å; I308-W319 HydrophobicContact CD1-CG 4.23Å; I308-W319 VanDerWaalsContact CD1-NE1 3.33Å; V310-W319 HydrophobicContact CB-CB 4.26Å; V310-W319 HydrophobicContact CB-CD2 3.63Å; V310-W319 HydrophobicContact CB-CE3 3.57Å; V310-W319 HydrophobicContact CB-CG 3.93Å; V310-W319 HydrophobicContact CB-CZ3 4.16Å; V310-W319 HydrophobicContact CG1-CB 4.5Å; V310-W319 HydrophobicContact CG1-CD2 3.36Å; V310-W319 HydrophobicContact CG1-CE3 3.72Å; V310-W319 HydrophobicContact CG1-CG 3.71Å; V310-W319 HydrophobicContact CG1-CH2 4.3Å; V310-W319 HydrophobicContact CG1-CZ2 3.99Å; V310-W319 HydrophobicContact CG1-CZ3 4.14Å; V310-W319 HydrophobicContact CG2-CE3 4.45Å; H316-W319 WeakPolarHBondContact O-CA 3.49Å; H316-W319 PolarHBondContact O-N 2.96Å; P317-W319 VanDerWaalsContact C-N 3.29Å; P317-W319 PolarHBondContact O-N 2.92Å; W319-K323 VanDerWaalsContact O-CB 3.31Å; W319-K323 WeakPolarHBondContact O-CB 3.49Å; W319-K323 WeakPolarHBondContact O-CE 3.45Å; W319-K323 WeakPolarHBondContact O-CG 3.2Å; W319-K323 PolarHBondContact O-N 3.21Å; W319-K323 VanDerWaalsContact O-N 3.1Å; W319-I334 HydrophobicContact CE3-CD1 3.64Å; W319-I334 HydrophobicContact CE3-CG1 3.5Å; W319-I334 VanDerWaalsContact CE3-CG1 3.5Å; W319-I334 HydrophobicContact CZ3-CB 4.46Å; W319-I334 HydrophobicContact CZ3-CD1 3.43Å; W319-I334 VanDerWaalsContact CZ3-CD1 3.43Å; W319-I334 HydrophobicContact CZ3-CG1 3.45Å; W319-I334 VanDerWaalsContact CZ3-CG1 3.45Å; W319-I334 HydrophobicContact CZ3-CG2 4.21Å; W319-F341 AromaticContact CE3-CE2 3.95Å; W319-F341 HydrophobicContact CE3-CE2 3.95Å; W319-F341 HydrophobicContact CH2-CD2 4.31Å; W319-F341 HydrophobicContact CH2-CE2 4.11Å; W319-F341 HydrophobicContact CZ3-CD2 4.15Å; W319-F341 AromaticContact CZ3-CE2 3.52Å; W319-F341 HydrophobicContact CZ3-CE2 3.52Å
320V94.7Very high88.5Confident39 Ų3946.3 Ų46.324%0.23628%0.279CS..Hα-helixtrans-60.3-49.2169.9177.10000109.9P225 A315 H316 P317 A324P225-V320 HydrophobicContact CB-CB 4.09Å; P225-V320 HydrophobicContact CB-CG1 4.12Å; A315-V320 HydrophobicContact CB-CG2 3.94Å; H316-V320 PolarHBondContact O-N 2.71Å; P317-V320 WeakPolarHBondContact O-CB 3.27Å; P317-V320 PolarHBondContact O-N 2.73Å; P317-V320 VanDerWaalsContact O-N 3.1Å; V320-A324 WeakPolarHBondContact O-CB 3.39Å; V320-A324 PolarHBondContact O-N 3.03Å
321Y96.3Very high87.3Confident0 Ų047.8 Ų47.80%029%0.293CS..Hα-helixtrans-57.8-52.9175.8172.4-105.5000113.1P225 A228 S229 S230 I231 F234 P317 L318 K323 A324 K325 P349P225-Y321 WeakPolarHBondContact O-CB 3.39Å; P225-Y321 WeakPolarHBondContact O-CD2 3.12Å; A228-Y321 HydrophobicContact CB-CD2 3.86Å; A228-Y321 HydrophobicContact CB-CE2 4.05Å; A228-Y321 WeakPolarHBondContact O-CE2 3.35Å; S229-Y321 PolarHBondContact O-OH 3.17Å; S230-Y321 VanDerWaalsContact CA-OH 3.32Å; S230-Y321 WeakPolarHBondContact CA-OH 3.3Å; I231-Y321 HydrophobicContact CG2-CD1 4.22Å; I231-Y321 HydrophobicContact CG2-CE1 3.79Å; F234-Y321 HydrophobicContact CD2-CD1 4.49Å; F234-Y321 AromaticContact CE2-CD1 3.57Å; F234-Y321 HydrophobicContact CE2-CD1 3.57Å; F234-Y321 HydrophobicContact CE2-CD2 4.15Å; F234-Y321 HydrophobicContact CE2-CE1 4.22Å; F234-Y321 AromaticContact CE2-CG 3.53Å; F234-Y321 HydrophobicContact CE2-CG 3.53Å; F234-Y321 HydrophobicContact CZ-CD1 4.16Å; F234-Y321 HydrophobicContact CZ-CD2 4.09Å; F234-Y321 AromaticContact CZ-CG 3.63Å; F234-Y321 HydrophobicContact CZ-CG 3.63Å; P317-Y321 PolarHBondContact O-N 3.39Å; L318-Y321 WeakPolarHBondContact O-CB 3.47Å; L318-Y321 PolarHBondContact O-N 2.9Å; Y321-K323 VanDerWaalsContact C-N 3.34Å; Y321-K323 PolarHBondContact O-N 3.22Å; Y321-A324 WeakPolarHBondContact O-CB 3.42Å; Y321-A324 PolarHBondContact O-N 2.84Å; Y321-K325 HydrophobicContact CD2-CG 3.93Å; Y321-K325 HydrophobicContact CE1-CG 4.3Å; Y321-K325 HydrophobicContact CE2-CD 4.03Å; Y321-K325 HydrophobicContact CE2-CG 3.49Å; Y321-K325 VanDerWaalsContact CE2-CG 3.49Å; Y321-K325 PolarHBondContact O-N 3.14Å; Y321-P349 HydrophobicContact CD1-CG 4.18Å; Y321-P349 HydrophobicContact CE1-CG 3.43Å; Y321-P349 VanDerWaalsContact CE1-CG 3.43Å; Y321-P349 WeakPolarHBondContact OH-CD 3.39Å
322L96.9Very high86.9Confident0 Ų050.6 Ų50.60%031%0.313CS..Hα-helixtrans-57.3-46.5-178.4-72.1169.4000111.8I231 I256 L318 A324 K325 Q326 F341 V343 P349I231-L322 HydrophobicContact CG2-CD2 4.23Å; I256-L322 HydrophobicContact CB-CD1 4.34Å; I256-L322 HydrophobicContact CD1-CD1 4.01Å; I256-L322 HydrophobicContact CD1-CD2 4.23Å; I256-L322 HydrophobicContact CG2-CD1 3.92Å; L318-L322 HydrophobicContact CD1-CD1 4.16Å; L318-L322 HydrophobicContact CD1-CG 4.2Å; L318-L322 HydrophobicContact CG-CD1 3.93Å; L318-L322 HydrophobicContact CG-CG 4.4Å; L318-L322 WeakPolarHBondContact O-CB 3.46Å; L318-L322 WeakPolarHBondContact O-CG 3.48Å; L318-L322 PolarHBondContact O-N 3.02Å; L322-A324 VanDerWaalsContact C-N 3.31Å; L322-A324 PolarHBondContact O-N 3.25Å; L322-K325 PolarHBondContact O-N 3.18Å; L322-Q326 WeakPolarHBondContact O-CA 3.01Å; L322-Q326 PolarHBondContact O-N 2.81Å; L322-F341 HydrophobicContact CB-CD1 3.9Å; L322-F341 HydrophobicContact CB-CD2 4.16Å; L322-F341 HydrophobicContact CB-CE1 3.83Å; L322-F341 HydrophobicContact CB-CE2 4.1Å; L322-F341 HydrophobicContact CB-CG 4.06Å; L322-F341 HydrophobicContact CB-CZ 3.94Å; L322-F341 HydrophobicContact CD1-CD2 4.08Å; L322-F341 HydrophobicContact CD1-CG 4.27Å; L322-F341 HydrophobicContact CD2-CB 3.95Å; L322-F341 HydrophobicContact CD2-CD1 4.19Å; L322-F341 HydrophobicContact CD2-CG 4.02Å; L322-F341 HydrophobicContact CG-CG 4.35Å; L322-F341 VanDerWaalsContact O-CE1 3.29Å; L322-F341 WeakPolarHBondContact O-CE1 3.23Å; L322-V343 HydrophobicContact CD2-CG2 4.38Å; L322-P349 HydrophobicContact CD2-CB 3.92Å; L322-P349 HydrophobicContact CD2-CG 3.6Å
323K93.6Very high86.7Confident21 Ų2148.7 Ų48.79%0.09129%0.288CS..Hα-helixtrans-64-34.9177.1-73.5-176.8-60.8-1760113V310 W319 Y321 Q326 G327 S332 I334 F341V310-K323 WeakPolarHBondContact O-CE 3.43Å; V310-K323 PolarHBondContact O-NZ 3.18Å; W319-K323 VanDerWaalsContact O-CB 3.31Å; W319-K323 WeakPolarHBondContact O-CB 3.49Å; W319-K323 WeakPolarHBondContact O-CE 3.45Å; W319-K323 WeakPolarHBondContact O-CG 3.2Å; W319-K323 PolarHBondContact O-N 3.21Å; W319-K323 VanDerWaalsContact O-N 3.1Å; Y321-K323 VanDerWaalsContact C-N 3.34Å; Y321-K323 PolarHBondContact O-N 3.22Å; K323-Q326 CarbonylContact O-C 3.57Å; K323-G327 WeakPolarHBondContact O-CA 3.26Å; K323-G327 PolarHBondContact O-N 3.46Å; K323-S332 WeakPolarHBondContact CB-O 3.46Å; K323-S332 WeakPolarHBondContact CD-O 3.08Å; K323-S332 WeakPolarHBondContact CG-O 3.45Å; K323-S332 WeakPolarHBondContact O-CB 3.44Å; K323-I334 HydrophobicContact CD-CD1 3.92Å; K323-I334 HydrophobicContact CD-CG1 3.95Å; K323-I334 HydrophobicContact CG-CD1 3.61Å; K323-I334 HydrophobicContact CG-CG1 4.19Å; K323-F341 HydrophobicContact CG-CZ 4.37Å
324A92.5Very high86.6Confident52 Ų5239.4 Ų39.443%0.4325%0.247SC..Hα-helixtrans-72.6-44179.500000111.6Q226 V320 Y321 L322Q226-A324 HydrophobicContact CB-CB 3.65Å; V320-A324 WeakPolarHBondContact O-CB 3.39Å; V320-A324 PolarHBondContact O-N 3.03Å; Y321-A324 WeakPolarHBondContact O-CB 3.42Å; Y321-A324 PolarHBondContact O-N 2.84Å; L322-A324 VanDerWaalsContact C-N 3.31Å; L322-A324 PolarHBondContact O-N 3.25Å
325K94.4Very high86.1Confident93 Ų9335.2 Ų35.240%0.40422%0.224SC..Hα-helixtrans-73.8-35.5177.5-62-54.4-173.5-169.80112.8Q226 Y321 L322 P349Q226-K325 PolarHBondContact O-NZ 3.32Å; Y321-K325 HydrophobicContact CD2-CG 3.93Å; Y321-K325 HydrophobicContact CE1-CG 4.3Å; Y321-K325 HydrophobicContact CE2-CD 4.03Å; Y321-K325 HydrophobicContact CE2-CG 3.49Å; Y321-K325 VanDerWaalsContact CE2-CG 3.49Å; Y321-K325 PolarHBondContact O-N 3.14Å; L322-K325 PolarHBondContact O-N 3.18Å; K325-P349 HydrophobicContact CB-CB 4.32Å; K325-P349 HydrophobicContact CB-CG 4.14Å; K325-P349 HydrophobicContact CG-CG 4.47Å
326Q92.3Very high85.5Confident48 Ų4835.8 Ų35.822%0.22422%0.224CC..SBendtrans-127.783.6-178.4-66.5-68.8-23.900109.8L322 K323 F341 P349 V350 R352L322-Q326 WeakPolarHBondContact O-CA 3.01Å; L322-Q326 PolarHBondContact O-N 2.81Å; K323-Q326 CarbonylContact O-C 3.57Å; Q326-F341 HydrophobicContact CB-CD1 3.83Å; Q326-F341 HydrophobicContact CB-CE1 3.75Å; Q326-F341 WeakPolarHBondContact O-CE1 3.36Å; Q326-P349 HydrophobicContact CG-CB 3.65Å; Q326-P349 WeakPolarHBondContact CG-O 3.06Å; Q326-P349 PolarHBondContact NE2-O 3.17Å; Q326-V350 PolarHBondContact NE2-O 2.79Å; Q326-R352 HydrophobicContact CB-CB 3.97Å; Q326-R352 VanDerWaalsContact O-CD 3.29Å; Q326-R352 WeakPolarHBondContact O-CD 3.27Å
327G82.4Confident84.6Confident43 Ų4334.2 Ų34.244%0.44322%0.216SC..  trans-61.4164.8175.900000112.8K323K323-G327 WeakPolarHBondContact O-CA 3.26Å; K323-G327 PolarHBondContact O-N 3.46Å
328G69.3Low84Confident24 Ų2435.1 Ų35.125%0.24722%0.215CC..BIsolated β-bridgetrans-91.5169165.600000110.9L330 G331G328-L330 PolarHBondContact O-N 3.39Å; G328-G331 CarbonylContact C-O 3.55Å; G328-G331 WeakPolarHBondContact CA-O 3.47Å; G328-G331 PolarHBondContact N-O 3.11Å; G328-G331 PolarHBondContact O-N 3.27Å
329T62.2Low83.6Confident133 Ų13335.1 Ų35.182%0.81622%0.215SC*.THydrogen-bonded Turntrans-54.9-25.5-178.316.20000114.8
330L55.8Low83.4Confident50 Ų5035.5 Ų35.526%0.26222%0.216SC..THydrogen-bonded Turntrans-138.429.3-178.2-76.8159.7000112.7Y68 E172 K173 V176 G328Y68-L330 VanDerWaalsContact CZ-O 3.31Å; Y68-L330 PolarHBondContact OH-O 2.83Å; E172-L330 HydrophobicContact CB-CD1 3.7Å; E172-L330 HydrophobicContact CG-CB 3.91Å; E172-L330 HydrophobicContact CG-CD1 3.59Å; E172-L330 HydrophobicContact CG-CG 4.33Å; E172-L330 WeakPolarHBondContact OE1-CB 3.43Å; K173-L330 HydrophobicContact CB-CD1 3.86Å; V176-L330 HydrophobicContact CG1-CD2 4.46Å; V176-L330 HydrophobicContact CG2-CD2 4.47Å; G328-L330 PolarHBondContact O-N 3.39Å
331G68.9Low83.4Confident30 Ų3033.6 Ų33.631%0.30921%0.205SC..BIsolated β-bridgetrans139.1167.318000000112.1G328G328-G331 CarbonylContact C-O 3.55Å; G328-G331 WeakPolarHBondContact CA-O 3.47Å; G328-G331 PolarHBondContact N-O 3.11Å; G328-G331 PolarHBondContact O-N 3.27Å
332S79.9Confident83.3Confident62 Ų6233.7 Ų33.743%0.43421%0.205SC..SBendtrans-85.1-16-172.967.90000113.8K323 R352K323-S332 WeakPolarHBondContact CB-O 3.46Å; K323-S332 WeakPolarHBondContact CD-O 3.08Å; K323-S332 WeakPolarHBondContact CG-O 3.45Å; K323-S332 WeakPolarHBondContact O-CB 3.44Å; S332-R352 PolarHBondContact O-NH1 2.77Å
333F82.8Confident83.2Confident22 Ų2233.7 Ų33.710%0.09621%0.205CC..SBendtrans-61.2147.5-174.697.3-83.5000113.5Y68 T72 K335 R352Y68-F333 WeakPolarHBondContact OH-CE1 3.02Å; T72-F333 HydrophobicContact CG2-CD1 3.78Å; T72-F333 HydrophobicContact CG2-CD2 4.23Å; T72-F333 HydrophobicContact CG2-CE1 3.57Å; T72-F333 HydrophobicContact CG2-CE2 4.03Å; T72-F333 HydrophobicContact CG2-CG 4.11Å; T72-F333 HydrophobicContact CG2-CZ 3.71Å; F333-K335 HydrophobicContact CE1-CG 3.96Å; F333-K335 HydrophobicContact CE2-CB 4.22Å; F333-K335 HydrophobicContact CE2-CG 4.11Å; F333-K335 HydrophobicContact CZ-CB 4.12Å; F333-K335 HydrophobicContact CZ-CD 4.44Å; F333-K335 HydrophobicContact CZ-CG 3.68Å; F333-K335 PolarHBondContact O-N 2.83Å; F333-R352 PolarHBondContact O-NH2 2.8Å
334I85.2Confident83.3Confident0 Ų034.3 Ų34.30%021%0.21CC..  trans-77.9121.7174.1-54-49.4000109.3F279 V310 N311 W319 K323 W336 T339 F341F279-I334 HydrophobicContact CE1-CG2 4.25Å; F279-I334 WeakPolarHBondContact CE1-O 3.44Å; F279-I334 HydrophobicContact CE2-CG2 4.32Å; F279-I334 HydrophobicContact CZ-CB 3.94Å; F279-I334 HydrophobicContact CZ-CG2 3.59Å; V310-I334 HydrophobicContact CB-CG1 4.03Å; V310-I334 HydrophobicContact CG2-CB 3.78Å; V310-I334 HydrophobicContact CG2-CG1 3.8Å; V310-I334 HydrophobicContact CG2-CG2 4.05Å; N311-I334 PolarHBondContact ND2-O 3.43Å; N311-I334 PolarHBondContact OD1-N 3.32Å; W319-I334 HydrophobicContact CE3-CD1 3.64Å; W319-I334 HydrophobicContact CE3-CG1 3.5Å; W319-I334 VanDerWaalsContact CE3-CG1 3.5Å; W319-I334 HydrophobicContact CZ3-CB 4.46Å; W319-I334 HydrophobicContact CZ3-CD1 3.43Å; W319-I334 VanDerWaalsContact CZ3-CD1 3.43Å; W319-I334 HydrophobicContact CZ3-CG1 3.45Å; W319-I334 VanDerWaalsContact CZ3-CG1 3.45Å; W319-I334 HydrophobicContact CZ3-CG2 4.21Å; K323-I334 HydrophobicContact CD-CD1 3.92Å; K323-I334 HydrophobicContact CD-CG1 3.95Å; K323-I334 HydrophobicContact CG-CD1 3.61Å; K323-I334 HydrophobicContact CG-CG1 4.19Å; I334-W336 WeakPolarHBondContact CG2-O 3.48Å; I334-T339 HydrophobicContact CD1-CG2 4.09Å; I334-T339 HydrophobicContact CG2-CG2 4.29Å; I334-T339 WeakPolarHBondContact CG2-OG1 3.15Å; I334-F341 HydrophobicContact CD1-CE2 3.85Å; I334-F341 HydrophobicContact CD1-CZ 3.85Å
335K78.5Confident83.3Confident20 Ų2037.3 Ų37.39%0.08721%0.21CC..  trans-77.9-41.8-171.5-53.9-167-177.4-173.60113E169 E172 F333E169-K335 VanDerWaalsContact CD-CD 3.49Å; E169-K335 HydrophobicContact CG-CD 4.08Å; E169-K335 WeakPolarHBondContact OE1-CB 3.31Å; E169-K335 WeakPolarHBondContact OE2-CD 3.31Å; E172-K335 WeakPolarHBondContact OE2-CE 3.45Å; E172-K335 IonicContact OE2-NZ 3.33Å; E172-K335 PolarHBondContact OE2-NZ 3.16Å; F333-K335 HydrophobicContact CE1-CG 3.96Å; F333-K335 HydrophobicContact CE2-CB 4.22Å; F333-K335 HydrophobicContact CE2-CG 4.11Å; F333-K335 HydrophobicContact CZ-CB 4.12Å; F333-K335 HydrophobicContact CZ-CD 4.44Å; F333-K335 HydrophobicContact CZ-CG 3.68Å; F333-K335 PolarHBondContact O-N 2.83Å
336W81.6Confident83.3Confident23 Ų2335.7 Ų35.79%0.08721%0.214CC..SBendtrans-154.7179-176.6-155.9-110.8000112.3V79 S80 N83 N258 F279 I334 T339 P355V79-W336 HydrophobicContact CB-CE3 4.01Å; V79-W336 HydrophobicContact CB-CH2 3.85Å; V79-W336 HydrophobicContact CB-CZ2 4.45Å; V79-W336 HydrophobicContact CB-CZ3 3.59Å; V79-W336 HydrophobicContact CG1-CD2 3.74Å; V79-W336 HydrophobicContact CG1-CE3 3.6Å; V79-W336 HydrophobicContact CG1-CH2 3.48Å; V79-W336 VanDerWaalsContact CG1-CH2 3.48Å; V79-W336 HydrophobicContact CG1-CZ2 3.59Å; V79-W336 HydrophobicContact CG1-CZ3 3.48Å; V79-W336 VanDerWaalsContact CG1-CZ3 3.48Å; S80-W336 WeakPolarHBondContact OG-CH2 3.29Å; N83-W336 WeakPolarHBondContact ND2-CZ2 3.3Å; N258-W336 PolarHBondContact ND2-O 3.49Å; F279-W336 HydrophobicContact CB-CD2 4.18Å; F279-W336 HydrophobicContact CB-CE3 4.08Å; F279-W336 HydrophobicContact CB-CH2 4.41Å; F279-W336 HydrophobicContact CB-CZ3 4.19Å; F279-W336 HydrophobicContact CD1-CE3 4.18Å; I334-W336 WeakPolarHBondContact CG2-O 3.48Å; W336-T339 PolarHBondContact O-OG1 2.95Å; W336-T339 VanDerWaalsContact O-OG1 3.14Å; W336-P355 HydrophobicContact CB-CB 4.06Å; W336-P355 HydrophobicContact CB-CG 3.52Å
337N79.1Confident83.5Confident0 Ų033.4 Ų33.40%020%0.203CC..THydrogen-bonded Turntrans-54.2156.1164.6-70.4-30.2000112N258 Q259 F279 Q282 T339 P355N258-N337 WeakPolarHBondContact ND2-CA 3.34Å; Q259-N337 VanDerWaalsContact CD-CG 3.49Å; Q259-N337 HydrophobicContact CG-CB 4.37Å; Q259-N337 PolarHBondContact NE2-ND2 2.9Å; Q259-N337 VanDerWaalsContact OE1-CB 3.27Å; F279-N337 WeakPolarHBondContact CB-OD1 3.44Å; F279-N337 WeakPolarHBondContact CD2-OD1 3.47Å; Q282-N337 PolarHBondContact OE1-ND2 3.25Å; N337-T339 VanDerWaalsContact C-N 3.28Å; N337-T339 PolarHBondContact O-N 3.48Å; N337-P355 VanDerWaalsContact O-CB 3.25Å; N337-P355 WeakPolarHBondContact O-CB 3.23Å
338F82.8Confident84.2Confident77 Ų7734.6 Ų34.634%0.33820%0.197SC..THydrogen-bonded Turntrans62.223.3-179.9-46.9-79.6000115.9N258 Q259 L260 K340N258-F338 WeakPolarHBondContact OD1-CA 3.34Å; N258-F338 PolarHBondContact OD1-N 2.77Å; Q259-F338 HydrophobicContact CB-CD1 3.8Å; Q259-F338 HydrophobicContact CB-CE1 3.76Å; Q259-F338 HydrophobicContact CB-CG 4.36Å; Q259-F338 HydrophobicContact CB-CZ 4.3Å; L260-F338 VanDerWaalsContact O-CE1 3.3Å; L260-F338 WeakPolarHBondContact O-CE1 3.35Å; F338-K340 PolarHBondContact O-NZ 2.91Å
339T89.6Confident85.5Confident1 Ų133.9 Ų33.91%0.00619%0.188CC..  trans-70.2133.3163.5-60.40000108.5V257 N258 I334 W336 N337 F341 R352V257-T339 WeakPolarHBondContact CA-O 3.39Å; N258-T339 PolarHBondContact N-O 3.07Å; N258-T339 PolarHBondContact OD1-N 2.9Å; N258-T339 PolarHBondContact OD1-O 3.46Å; I334-T339 HydrophobicContact CD1-CG2 4.09Å; I334-T339 HydrophobicContact CG2-CG2 4.29Å; I334-T339 WeakPolarHBondContact CG2-OG1 3.15Å; W336-T339 PolarHBondContact O-OG1 2.95Å; W336-T339 VanDerWaalsContact O-OG1 3.14Å; N337-T339 VanDerWaalsContact C-N 3.28Å; N337-T339 PolarHBondContact O-N 3.48Å; T339-F341 HydrophobicContact CG2-CE2 4.11Å; T339-R352 HydrophobicContact CG2-CG 4.17Å
340K91.8Very high87.1Confident7 Ų730.2 Ų30.23%0.0317%0.165CC..EExtended strand (participates in β ladder)trans-122.2139.7-173.5-54.2166.7-167.372.30110.1I255 I256 V257 Y261 F338 R352 F353 M362I255-K340 HydrophobicContact CG2-CB 4.14Å; I255-K340 HydrophobicContact CG2-CG 4.38Å; I256-K340 CarbonylContact O-C 3.44Å; I256-K340 WeakPolarHBondContact O-CA 3.35Å; V257-K340 HydrophobicContact CB-CG 4.13Å; V257-K340 HydrophobicContact CG2-CG 3.8Å; Y261-K340 HydrophobicContact CD2-CD 4.39Å; Y261-K340 VanDerWaalsContact CD2-CE 3.48Å; Y261-K340 HydrophobicContact CE2-CD 4.08Å; F338-K340 PolarHBondContact O-NZ 2.91Å; K340-R352 CarbonylContact O-C 3.59Å; K340-R352 WeakPolarHBondContact O-CA 3.26Å; K340-F353 HydrophobicContact CB-CB 4.26Å; K340-F353 PolarHBondContact N-O 3.29Å; K340-F353 PolarHBondContact O-N 3.14Å; K340-M362 HydrophobicContact CB-SD 4.3Å; K340-M362 HydrophobicContact CD-CE 3.57Å; K340-M362 HydrophobicContact CD-SD 3.72Å
341F95Very high88.9Confident0 Ų031.3 Ų31.30%017%0.168CC..EExtended strand (participates in β ladder)trans-114.6126168.5-67.4-94.1000108.5I255 I256 W319 L322 K323 Q326 I334 T339 K351 R352I255-F341 WeakPolarHBondContact CA-O 3.49Å; I256-F341 HydrophobicContact CB-CB 4.43Å; I256-F341 PolarHBondContact N-O 2.91Å; I256-F341 PolarHBondContact O-N 3.38Å; W319-F341 AromaticContact CE3-CE2 3.95Å; W319-F341 HydrophobicContact CE3-CE2 3.95Å; W319-F341 HydrophobicContact CH2-CD2 4.31Å; W319-F341 HydrophobicContact CH2-CE2 4.11Å; W319-F341 HydrophobicContact CZ3-CD2 4.15Å; W319-F341 AromaticContact CZ3-CE2 3.52Å; W319-F341 HydrophobicContact CZ3-CE2 3.52Å; L322-F341 HydrophobicContact CB-CD1 3.9Å; L322-F341 HydrophobicContact CB-CD2 4.16Å; L322-F341 HydrophobicContact CB-CE1 3.83Å; L322-F341 HydrophobicContact CB-CE2 4.1Å; L322-F341 HydrophobicContact CB-CG 4.06Å; L322-F341 HydrophobicContact CB-CZ 3.94Å; L322-F341 HydrophobicContact CD1-CD2 4.08Å; L322-F341 HydrophobicContact CD1-CG 4.27Å; L322-F341 HydrophobicContact CD2-CB 3.95Å; L322-F341 HydrophobicContact CD2-CD1 4.19Å; L322-F341 HydrophobicContact CD2-CG 4.02Å; L322-F341 HydrophobicContact CG-CG 4.35Å; L322-F341 VanDerWaalsContact O-CE1 3.29Å; L322-F341 WeakPolarHBondContact O-CE1 3.23Å; K323-F341 HydrophobicContact CG-CZ 4.37Å; Q326-F341 HydrophobicContact CB-CD1 3.83Å; Q326-F341 HydrophobicContact CB-CE1 3.75Å; Q326-F341 WeakPolarHBondContact O-CE1 3.36Å; I334-F341 HydrophobicContact CD1-CE2 3.85Å; I334-F341 HydrophobicContact CD1-CZ 3.85Å; T339-F341 HydrophobicContact CG2-CE2 4.11Å; F341-K351 WeakPolarHBondContact CA-O 3.5Å; F341-R352 HydrophobicContact CD1-CB 3.95Å; F341-R352 HydrophobicContact CD1-CG 4.2Å; F341-R352 HydrophobicContact CE1-CB 3.87Å; F341-R352 HydrophobicContact CE1-CG 3.81Å; F341-R352 HydrophobicContact CZ-CG 4.02Å
342L94Very high90.1Very high1 Ų131.4 Ų31.41%0.00516%0.159CC..EExtended strand (participates in β ladder)trans-90.4127.6170.9-177.464.4000108.4V253 I255 V350 K351 F353 D365 I366 L369V253-L342 HydrophobicContact CG1-CD1 3.64Å; I255-L342 HydrophobicContact CG1-CD1 4.02Å; L342-V350 HydrophobicContact CB-CG2 4.29Å; L342-V350 HydrophobicContact CD2-CG2 4.26Å; L342-V350 HydrophobicContact CG-CG2 4Å; L342-V350 WeakPolarHBondContact O-CG2 3.32Å; L342-V350 PolarHBondContact O-N 3.37Å; L342-K351 HydrophobicContact CB-CB 4.48Å; L342-K351 PolarHBondContact N-O 2.62Å; L342-K351 PolarHBondContact O-N 3.28Å; L342-F353 HydrophobicContact CB-CE2 3.83Å; L342-F353 HydrophobicContact CD2-CE2 4.29Å; L342-D365 HydrophobicContact CD2-CB 3.58Å; L342-I366 HydrophobicContact CD1-CG1 4.01Å; L342-I366 HydrophobicContact CD2-CG1 4.4Å; L342-L369 HydrophobicContact CD1-CD1 4.05Å; L342-L369 HydrophobicContact CD2-CD1 3.5Å; L342-L369 VanDerWaalsContact CD2-CD1 3.5Å; L342-L369 HydrophobicContact CG-CD1 3.57Å
343V95.9Very high90.5Very high0 Ų028.5 Ų28.50%014%0.138CC..EExtended strand (participates in β ladder)trans-120.6134.8-177.4-177.10000108.7I231 V253 V254 I256 L322 G347 Q348I231-V343 HydrophobicContact CD1-CG1 3.82Å; I231-V343 HydrophobicContact CG1-CG1 4.02Å; I231-V343 HydrophobicContact CG2-CG1 4.19Å; I231-V343 HydrophobicContact CG2-CG2 4.27Å; V253-V343 WeakPolarHBondContact CA-O 3.22Å; V254-V343 HydrophobicContact CB-CB 4.22Å; V254-V343 PolarHBondContact N-O 2.68Å; V254-V343 PolarHBondContact O-N 3.43Å; I256-V343 HydrophobicContact CD1-CG2 3.94Å; I256-V343 HydrophobicContact CG1-CG2 4.2Å; L322-V343 HydrophobicContact CD2-CG2 4.38Å; V343-G347 VanDerWaalsContact CG1-C 3.4Å; V343-Q348 VanDerWaalsContact CA-O 3.27Å; V343-Q348 WeakPolarHBondContact CA-O 3.2Å; V343-Q348 WeakPolarHBondContact CG1-O 3.4Å
344D94.7Very high90.7Very high34 Ų3428.5 Ų28.518%0.18215%0.145CC..  trans-81.3178.7179.372.116.1000113.5F252 A346 G347 Q348 V350 L369F252-D344 CarbonylContact O-C 3.6Å; D344-A346 PolarHBondContact O-N 2.93Å; D344-A346 VanDerWaalsContact O-N 3.15Å; D344-A346 WeakPolarHBondContact OD1-CA 3.49Å; D344-A346 WeakPolarHBondContact OD1-CB 3.33Å; D344-A346 PolarHBondContact OD1-N 2.8Å; D344-G347 PolarHBondContact O-N 3.5Å; D344-G347 PolarHBondContact OD1-N 2.94Å; D344-Q348 PolarHBondContact N-O 3.39Å; D344-Q348 PolarHBondContact OD1-N 3.35Å; D344-V350 HydrophobicContact CB-CG1 3.95Å; D344-L369 HydrophobicContact CB-CD2 3.94Å
345R92.3Very high90.4Very high116 Ų11629.8 Ų29.844%0.43815%0.153SC..THydrogen-bonded Turntrans-65.6-12.8-179.6-62.7-172.1175.2163.42.1114.7Y232 G251 F252 V253 L370Y232-R345 VanDerWaalsContact OH-C 3.3Å; Y232-R345 PolarHBondContact OH-O 2.87Å; G251-R345 WeakPolarHBondContact CA-O 3.34Å; G251-R345 PolarHBondContact N-O 2.86Å; G251-R345 WeakPolarHBondContact O-CD 3.27Å; G251-R345 VanDerWaalsContact O-CG 3.29Å; G251-R345 WeakPolarHBondContact O-CG 3.15Å; F252-R345 WeakPolarHBondContact O-CA 3.38Å; V253-R345 HydrophobicContact CG2-CG 4.01Å; R345-L370 PolarHBondContact NH2-O 3.35Å
346A94.1Very high90.3Very high58 Ų5836 Ų3648%0.47918%0.18SC..THydrogen-bonded Turntrans-100.44.6175.500000112.2Y232 D344 Q348Y232-A346 VanDerWaalsContact CE2-C 3.41Å; Y232-A346 VanDerWaalsContact CE2-O 3.24Å; Y232-A346 WeakPolarHBondContact CE2-O 3.23Å; Y232-A346 VanDerWaalsContact OH-C 3.24Å; D344-A346 PolarHBondContact O-N 2.93Å; D344-A346 VanDerWaalsContact O-N 3.15Å; D344-A346 WeakPolarHBondContact OD1-CA 3.49Å; D344-A346 WeakPolarHBondContact OD1-CB 3.33Å; D344-A346 PolarHBondContact OD1-N 2.8Å; A346-Q348 VanDerWaalsContact C-N 3.34Å
347G96.6Very high90Very high0 Ų038.6 Ų38.60%019%0.193CC..SBendtrans8117.3175.300000112.9I231 Y232 V343 D344I231-G347 PolarHBondContact N-O 2.94Å; Y232-G347 WeakPolarHBondContact OH-CA 3.28Å; Y232-G347 PolarHBondContact OH-N 3.03Å; V343-G347 VanDerWaalsContact CG1-C 3.4Å; D344-G347 PolarHBondContact O-N 3.5Å; D344-G347 PolarHBondContact OD1-N 2.94Å
348Q97.7Very high89.6Confident69 Ų6941 Ų4132%0.32221%0.213SC..  trans-90.3129.2177.7-59.9-55.2-55.600110.8S229 V343 D344 A346 V350S229-Q348 PolarHBondContact O-NE2 3.12Å; S229-Q348 PolarHBondContact O-OE1 3.23Å; V343-Q348 VanDerWaalsContact CA-O 3.27Å; V343-Q348 WeakPolarHBondContact CA-O 3.2Å; V343-Q348 WeakPolarHBondContact CG1-O 3.4Å; D344-Q348 PolarHBondContact N-O 3.39Å; D344-Q348 PolarHBondContact OD1-N 3.35Å; A346-Q348 VanDerWaalsContact C-N 3.34Å; Q348-V350 PolarHBondContact O-N 2.84Å
349P97Very high89.1Confident9 Ų938.4 Ų38.46%0.05820%0.204CC..EExtended strand (participates in β ladder)trans-67.1116.1168.6-16.532.1000108.8I231 Y321 L322 K325 Q326I231-P349 HydrophobicContact CG2-CG 4.42Å; Y321-P349 HydrophobicContact CD1-CG 4.18Å; Y321-P349 HydrophobicContact CE1-CG 3.43Å; Y321-P349 VanDerWaalsContact CE1-CG 3.43Å; Y321-P349 WeakPolarHBondContact OH-CD 3.39Å; L322-P349 HydrophobicContact CD2-CB 3.92Å; L322-P349 HydrophobicContact CD2-CG 3.6Å; K325-P349 HydrophobicContact CB-CB 4.32Å; K325-P349 HydrophobicContact CB-CG 4.14Å; K325-P349 HydrophobicContact CG-CG 4.47Å; Q326-P349 HydrophobicContact CG-CB 3.65Å; Q326-P349 WeakPolarHBondContact CG-O 3.06Å; Q326-P349 PolarHBondContact NE2-O 3.17Å
350V95.5Very high88.1Confident55 Ų5542.6 Ų42.633%0.33322%0.223SC..EExtended strand (participates in β ladder)trans-104.8-22.5-175.1-66.50000113.4Q326 L342 D344 Q348 L369Q326-V350 PolarHBondContact NE2-O 2.79Å; L342-V350 HydrophobicContact CB-CG2 4.29Å; L342-V350 HydrophobicContact CD2-CG2 4.26Å; L342-V350 HydrophobicContact CG-CG2 4Å; L342-V350 WeakPolarHBondContact O-CG2 3.32Å; L342-V350 PolarHBondContact O-N 3.37Å; D344-V350 HydrophobicContact CB-CG1 3.95Å; Q348-V350 PolarHBondContact O-N 2.84Å; V350-L369 HydrophobicContact CG2-CD1 3.64Å; V350-L369 HydrophobicContact CG2-CD2 4.35Å
351K94.4Very high87.5Confident73 Ų7345.4 Ų45.432%0.31724%0.242SC..EExtended strand (participates in β ladder)trans-158.7150.5177-164.4162171.5-173.20112.2F341 L342 F353 D365F341-K351 WeakPolarHBondContact CA-O 3.5Å; L342-K351 HydrophobicContact CB-CB 4.48Å; L342-K351 PolarHBondContact N-O 2.62Å; L342-K351 PolarHBondContact O-N 3.28Å; K351-F353 HydrophobicContact CB-CE2 3.91Å; K351-F353 HydrophobicContact CB-CZ 4.15Å; K351-F353 HydrophobicContact CD-CE1 3.92Å; K351-F353 HydrophobicContact CD-CE2 4.12Å; K351-F353 HydrophobicContact CD-CZ 3.51Å; K351-F353 HydrophobicContact CG-CD2 4.48Å; K351-F353 HydrophobicContact CG-CE1 4.28Å; K351-F353 HydrophobicContact CG-CE2 3.85Å; K351-F353 HydrophobicContact CG-CZ 3.76Å; K351-D365 WeakPolarHBondContact CD-OD2 3.42Å; K351-D365 IonicContact NZ-OD1 3.41Å; K351-D365 IonicContact NZ-OD2 3.42Å; K351-D365 PolarHBondContact NZ-OD2 2.77Å
352R93.4Very high86.9Confident32 Ų3245.5 Ų45.512%0.12124%0.242CC..EExtended strand (participates in β ladder)trans-117.1136.4172.2175.6-179.2174.9174-5.4110.1Q326 S332 F333 T339 K340 F341Q326-R352 HydrophobicContact CB-CB 3.97Å; Q326-R352 VanDerWaalsContact O-CD 3.29Å; Q326-R352 WeakPolarHBondContact O-CD 3.27Å; S332-R352 PolarHBondContact O-NH1 2.77Å; F333-R352 PolarHBondContact O-NH2 2.8Å; T339-R352 HydrophobicContact CG2-CG 4.17Å; K340-R352 CarbonylContact O-C 3.59Å; K340-R352 WeakPolarHBondContact O-CA 3.26Å; F341-R352 HydrophobicContact CD1-CB 3.95Å; F341-R352 HydrophobicContact CD1-CG 4.2Å; F341-R352 HydrophobicContact CE1-CB 3.87Å; F341-R352 HydrophobicContact CE1-CG 3.81Å; F341-R352 HydrophobicContact CZ-CG 4.02Å
353F89.3Confident86.1Confident1 Ų149.9 Ų49.90%0.00426%0.258CS..EExtended strand (participates in β ladder)trans-118.2136.2178.6-57.3-93.9000110.4K340 L342 K351 E357 M362 D365K340-F353 HydrophobicContact CB-CB 4.26Å; K340-F353 PolarHBondContact N-O 3.29Å; K340-F353 PolarHBondContact O-N 3.14Å; L342-F353 HydrophobicContact CB-CE2 3.83Å; L342-F353 HydrophobicContact CD2-CE2 4.29Å; K351-F353 HydrophobicContact CB-CE2 3.91Å; K351-F353 HydrophobicContact CB-CZ 4.15Å; K351-F353 HydrophobicContact CD-CE1 3.92Å; K351-F353 HydrophobicContact CD-CE2 4.12Å; K351-F353 HydrophobicContact CD-CZ 3.51Å; K351-F353 HydrophobicContact CG-CD2 4.48Å; K351-F353 HydrophobicContact CG-CE1 4.28Å; K351-F353 HydrophobicContact CG-CE2 3.85Å; K351-F353 HydrophobicContact CG-CZ 3.76Å; F353-E357 WeakPolarHBondContact CA-OE1 3.25Å; F353-E357 HydrophobicContact CB-CB 4.2Å; F353-E357 WeakPolarHBondContact CD1-OE2 3.26Å; F353-M362 HydrophobicContact CB-SD 4.33Å; F353-M362 HydrophobicContact CD1-CG 3.62Å; F353-M362 HydrophobicContact CD1-SD 4.26Å; F353-M362 HydrophobicContact CD2-CG 3.92Å; F353-M362 HydrophobicContact CD2-SD 3.59Å; F353-M362 VanDerWaalsContact CD2-SD 3.59Å; F353-M362 HydrophobicContact CE1-CB 4.2Å; F353-M362 HydrophobicContact CE1-CG 3.55Å; F353-M362 HydrophobicContact CE1-SD 4.5Å; F353-M362 HydrophobicContact CE2-CB 4.44Å; F353-M362 HydrophobicContact CE2-CG 3.85Å; F353-M362 HydrophobicContact CE2-SD 3.86Å; F353-M362 HydrophobicContact CG-CG 3.81Å; F353-M362 HydrophobicContact CG-SD 3.8Å; F353-M362 HydrophobicContact CZ-CB 4.04Å; F353-M362 HydrophobicContact CZ-CG 3.64Å; F353-M362 HydrophobicContact CZ-SD 4.3Å; F353-D365 HydrophobicContact CZ-CB 4.43Å
354G85.9Confident85.4Confident22 Ų2256 Ų5623%0.22729%0.291CS..  trans-69.4165178.600000113.6K356 E357G354-K356 PolarHBondContact O-N 3.47Å; G354-K356 VanDerWaalsContact O-N 3.13Å; G354-E357 PolarHBondContact N-OE1 3.01Å; G354-E357 PolarHBondContact O-N 2.85Å; G354-E357 VanDerWaalsContact O-N 3.14Å
355P79.5Confident85.1Confident27 Ų2755.2 Ų55.218%0.17529%0.287CS..THydrogen-bonded Turntrans-51.6-35.9178.7-29.436.2000115W336 N337W336-P355 HydrophobicContact CB-CB 4.06Å; W336-P355 HydrophobicContact CB-CG 3.52Å; N337-P355 VanDerWaalsContact O-CB 3.25Å; N337-P355 WeakPolarHBondContact O-CB 3.23Å
356K75.2Confident84.7Confident152 Ų15249.7 Ų49.766%0.66127%0.266SS*.THydrogen-bonded Turntrans-97.2-5-174.9-60.3-172.5-176.9-178.20114D167 G354 A358D167-K356 WeakPolarHBondContact OD2-CE 3.46Å; D167-K356 IonicContact OD2-NZ 3.38Å; D167-K356 PolarHBondContact OD2-NZ 3.42Å; G354-K356 PolarHBondContact O-N 3.47Å; G354-K356 VanDerWaalsContact O-N 3.13Å; K356-A358 PolarHBondContact O-N 3.39Å; K356-A358 VanDerWaalsContact O-N 3.15Å
357E77.1Confident84Confident76 Ų7649.5 Ų49.536%0.35526%0.256SS..  trans-68.2117.7176.1-73.7-173.3-112.600108.3F353 G354F353-E357 WeakPolarHBondContact CA-OE1 3.25Å; F353-E357 HydrophobicContact CB-CB 4.2Å; F353-E357 WeakPolarHBondContact CD1-OE2 3.26Å; G354-E357 PolarHBondContact N-OE1 3.01Å; G354-E357 PolarHBondContact O-N 2.85Å; G354-E357 VanDerWaalsContact O-N 3.14Å
358A69.5Low83.5Confident52 Ų5257.7 Ų57.743%0.4329%0.287SS..  trans-62143.6-179.600000109K356 E360 T361K356-A358 PolarHBondContact O-N 3.39Å; K356-A358 VanDerWaalsContact O-N 3.15Å; A358-E360 PolarHBondContact O-N 3.05Å; A358-T361 HydrophobicContact CB-CG2 4.41Å; A358-T361 WeakPolarHBondContact O-CB 3.36Å; A358-T361 PolarHBondContact O-N 2.52Å; A358-T361 PolarHBondContact O-OG1 2.59Å
359P72Confident83.1Confident21 Ų2156.3 Ų56.314%0.13628%0.282CS..G310 helixtrans-42.9-46.2176.3-44.153.5000113.3Y261 E263 Y264 T361 M362Y261-P359 HydrophobicContact CE2-CB 4.45Å; Y261-P359 HydrophobicContact CE2-CG 3.59Å; Y261-P359 WeakPolarHBondContact OH-CB 3.28Å; Y261-P359 WeakPolarHBondContact OH-CG 3.42Å; E263-P359 HydrophobicContact CB-CB 3.82Å; E263-P359 HydrophobicContact CB-CG 4.1Å; E263-P359 HydrophobicContact CG-CB 4.36Å; E263-P359 VanDerWaalsContact OE2-CB 3.22Å; E263-P359 WeakPolarHBondContact OE2-CB 3.26Å; E263-P359 WeakPolarHBondContact OE2-CG 3.37Å; Y264-P359 HydrophobicContact CD2-CB 4.47Å; Y264-P359 HydrophobicContact CE2-CB 3.57Å; Y264-P359 WeakPolarHBondContact CE2-O 3.02Å; Y264-P359 PolarHBondContact OH-O 3.32Å; P359-T361 PolarHBondContact O-N 3.25Å; P359-M362 WeakPolarHBondContact O-CA 3.44Å; P359-M362 VanDerWaalsContact O-CB 3.25Å; P359-M362 WeakPolarHBondContact O-CB 3.49Å; P359-M362 PolarHBondContact O-N 3.11Å
360E68.8Low82.2Confident89 Ų8956.1 Ų56.142%0.41628%0.28SS..G310 helixtrans-59.3-19.8-177.6-50.7-62.6-128.500115.2Y264 A358 M362 R363Y264-E360 WeakPolarHBondContact OH-CA 3.06Å; Y264-E360 PolarHBondContact OH-N 3.27Å; Y264-E360 PolarHBondContact OH-OE2 3.29Å; A358-E360 PolarHBondContact O-N 3.05Å; E360-M362 PolarHBondContact O-N 3.2Å; E360-R363 PolarHBondContact O-N 2.85Å; E360-R363 IonicContact OE1-CZ 3.56Å; E360-R363 IonicContact OE1-NH1 2.84Å; E360-R363 PolarHBondContact OE1-NH1 3.4Å; E360-R363 IonicContact OE1-NH2 2.69Å; E360-R363 PolarHBondContact OE1-NH2 2.97Å; E360-R363 IonicContact OE2-CZ 3.27Å; E360-R363 VanDerWaalsContact OE2-CZ 3.27Å; E360-R363 IonicContact OE2-NH1 2.88Å; E360-R363 PolarHBondContact OE2-NH1 2.82Å; E360-R363 IonicContact OE2-NH2 2.87Å; E360-R363 PolarHBondContact OE2-NH2 2.87Å
361T78.7Confident81.3Confident67 Ų6754.8 Ų54.841%0.41128%0.278SS..G310 helixtrans-72.1-19.4172.371.90000112.6A358 P359A358-T361 HydrophobicContact CB-CG2 4.41Å; A358-T361 WeakPolarHBondContact O-CB 3.36Å; A358-T361 PolarHBondContact O-N 2.52Å; A358-T361 PolarHBondContact O-OG1 2.59Å; P359-T361 PolarHBondContact O-N 3.25Å
362M83Confident79.2Confident1 Ų156.1 Ų56.11%0.00530%0.296CS..THydrogen-bonded Turntrans-86.7-22.2176.8-53-165.5-72.400112.9I255 Y261 Y264 K340 F353 P359 E360 N364 D365 I366I255-M362 HydrophobicContact CD1-CE 4.02Å; Y261-M362 HydrophobicContact CE1-CE 4.01Å; Y261-M362 HydrophobicContact CE2-CE 4.48Å; Y261-M362 WeakPolarHBondContact OH-CE 3.32Å; Y264-M362 HydrophobicContact CD2-CE 4.37Å; Y264-M362 HydrophobicContact CE2-CE 4.01Å; K340-M362 HydrophobicContact CB-SD 4.3Å; K340-M362 HydrophobicContact CD-CE 3.57Å; K340-M362 HydrophobicContact CD-SD 3.72Å; F353-M362 HydrophobicContact CB-SD 4.33Å; F353-M362 HydrophobicContact CD1-CG 3.62Å; F353-M362 HydrophobicContact CD1-SD 4.26Å; F353-M362 HydrophobicContact CD2-CG 3.92Å; F353-M362 HydrophobicContact CD2-SD 3.59Å; F353-M362 VanDerWaalsContact CD2-SD 3.59Å; F353-M362 HydrophobicContact CE1-CB 4.2Å; F353-M362 HydrophobicContact CE1-CG 3.55Å; F353-M362 HydrophobicContact CE1-SD 4.5Å; F353-M362 HydrophobicContact CE2-CB 4.44Å; F353-M362 HydrophobicContact CE2-CG 3.85Å; F353-M362 HydrophobicContact CE2-SD 3.86Å; F353-M362 HydrophobicContact CG-CG 3.81Å; F353-M362 HydrophobicContact CG-SD 3.8Å; F353-M362 HydrophobicContact CZ-CB 4.04Å; F353-M362 HydrophobicContact CZ-CG 3.64Å; F353-M362 HydrophobicContact CZ-SD 4.3Å; P359-M362 WeakPolarHBondContact O-CA 3.44Å; P359-M362 VanDerWaalsContact O-CB 3.25Å; P359-M362 WeakPolarHBondContact O-CB 3.49Å; P359-M362 PolarHBondContact O-N 3.11Å; E360-M362 PolarHBondContact O-N 3.2Å; M362-N364 VanDerWaalsContact C-N 3.33Å; M362-N364 PolarHBondContact O-N 2.89Å; M362-D365 WeakPolarHBondContact O-CA 3.33Å; M362-D365 WeakPolarHBondContact O-CB 3.47Å; M362-D365 PolarHBondContact O-N 3.05Å; M362-I366 HydrophobicContact CB-CD1 3.79Å; M362-I366 HydrophobicContact CB-CG1 4.33Å; M362-I366 WeakPolarHBondContact O-CG1 3.46Å; M362-I366 PolarHBondContact O-N 3.32Å
363R77.6Confident76.8Confident94 Ų9459.4 Ų59.436%0.35532%0.324SS..Hα-helixtrans-49.7-50.1-172.2175.5178.2-89123.21.8112.6Y264 E360 D365 I366 I367Y264-R363 HydrophobicContact CE1-CB 4.48Å; E360-R363 PolarHBondContact O-N 2.85Å; E360-R363 IonicContact OE1-CZ 3.56Å; E360-R363 IonicContact OE1-NH1 2.84Å; E360-R363 PolarHBondContact OE1-NH1 3.4Å; E360-R363 IonicContact OE1-NH2 2.69Å; E360-R363 PolarHBondContact OE1-NH2 2.97Å; E360-R363 IonicContact OE2-CZ 3.27Å; E360-R363 VanDerWaalsContact OE2-CZ 3.27Å; E360-R363 IonicContact OE2-NH1 2.88Å; E360-R363 PolarHBondContact OE2-NH1 2.82Å; E360-R363 IonicContact OE2-NH2 2.87Å; E360-R363 PolarHBondContact OE2-NH2 2.87Å; R363-D365 VanDerWaalsContact C-N 3.31Å; R363-D365 PolarHBondContact O-N 3.42Å; R363-I366 PolarHBondContact O-N 3.25Å; R363-I367 HydrophobicContact CG-CD1 3.64Å; R363-I367 HydrophobicContact CG-CG1 4.28Å; R363-I367 WeakPolarHBondContact O-CG1 3.43Å; R363-I367 PolarHBondContact O-N 2.86Å
364N81.7Confident74.6Confident128 Ų12863.3 Ų63.368%0.68435%0.345SS*.Hα-helixtrans-65.1-36.2-177.9-69.9-16.1000112.5M362 R368M362-N364 VanDerWaalsContact C-N 3.33Å; M362-N364 PolarHBondContact O-N 2.89Å; N364-R368 VanDerWaalsContact O-CB 3.27Å; N364-R368 WeakPolarHBondContact O-CB 2.98Å; N364-R368 PolarHBondContact O-N 2.87Å; N364-R368 VanDerWaalsContact O-N 3.16Å
365D87.9Confident72.1Confident17 Ų1768.5 Ų68.59%0.09137%0.367CS..Hα-helixtrans-68.1-41175-69-56.8000111.2L342 K351 F353 M362 R363 R368 L369L342-D365 HydrophobicContact CD2-CB 3.58Å; K351-D365 WeakPolarHBondContact CD-OD2 3.42Å; K351-D365 IonicContact NZ-OD1 3.41Å; K351-D365 IonicContact NZ-OD2 3.42Å; K351-D365 PolarHBondContact NZ-OD2 2.77Å; F353-D365 HydrophobicContact CZ-CB 4.43Å; M362-D365 WeakPolarHBondContact O-CA 3.33Å; M362-D365 WeakPolarHBondContact O-CB 3.47Å; M362-D365 PolarHBondContact O-N 3.05Å; R363-D365 VanDerWaalsContact C-N 3.31Å; R363-D365 PolarHBondContact O-N 3.42Å; D365-R368 PolarHBondContact O-N 2.73Å; D365-R368 IonicContact OD1-CZ 3.67Å; D365-R368 IonicContact OD1-NH2 2.67Å; D365-R368 PolarHBondContact OD1-NH2 2.84Å; D365-L369 VanDerWaalsContact O-CG 3.31Å; D365-L369 WeakPolarHBondContact O-CG 3.32Å; D365-L369 PolarHBondContact O-N 3.26Å; D365-L369 VanDerWaalsContact O-N 3.13Å
366I83.1Confident69.6Low1 Ų176.4 Ų76.41%0.00540%0.402CS..Hα-helixtrans-63.8-53.1178.2-66.6163.7000110.8I255 Y264 L269 L342 M362 R363 R368 L369 L370I255-I366 HydrophobicContact CD1-CD1 3.91Å; Y264-I366 HydrophobicContact CD2-CD1 4.04Å; Y264-I366 HydrophobicContact CE2-CD1 4.12Å; Y264-I366 HydrophobicContact CG-CD1 4.27Å; L269-I366 HydrophobicContact CD1-CG2 4.1Å; L269-I366 HydrophobicContact CD2-CD1 4.46Å; L269-I366 HydrophobicContact CD2-CG2 4.28Å; L342-I366 HydrophobicContact CD1-CG1 4.01Å; L342-I366 HydrophobicContact CD2-CG1 4.4Å; M362-I366 HydrophobicContact CB-CD1 3.79Å; M362-I366 HydrophobicContact CB-CG1 4.33Å; M362-I366 WeakPolarHBondContact O-CG1 3.46Å; M362-I366 PolarHBondContact O-N 3.32Å; R363-I366 PolarHBondContact O-N 3.25Å; I366-R368 PolarHBondContact O-N 2.76Å; I366-L369 PolarHBondContact O-N 3.19Å; I366-L370 HydrophobicContact CG2-CD1 3.73Å; I366-L370 HydrophobicContact CG2-CG 4.22Å; I366-L370 WeakPolarHBondContact O-CG 3.27Å; I366-L370 PolarHBondContact O-N 2.83Å
367I79.3Confident67.4Low53 Ų5373.4 Ų73.427%0.27241%0.406SS..Hα-helixtrans-55.9-43.4179.2-69.6172.1000110.3R363 L369 L370 G371R363-I367 HydrophobicContact CG-CD1 3.64Å; R363-I367 HydrophobicContact CG-CG1 4.28Å; R363-I367 WeakPolarHBondContact O-CG1 3.43Å; R363-I367 PolarHBondContact O-N 2.86Å; I367-L369 VanDerWaalsContact C-N 3.33Å; I367-L369 PolarHBondContact O-N 3.02Å; I367-L370 PolarHBondContact O-N 2.95Å; I367-G371 PolarHBondContact O-N 3.08Å
368R87.8Confident65.3Low172 Ų17283.1 Ų83.165%0.64945%0.451SS*.Hα-helixtrans-59.6-41.2177.2178.1174.959.3158.4-2.3112.6N364 D365 I366 G371N364-R368 VanDerWaalsContact O-CB 3.27Å; N364-R368 WeakPolarHBondContact O-CB 2.98Å; N364-R368 PolarHBondContact O-N 2.87Å; N364-R368 VanDerWaalsContact O-N 3.16Å; D365-R368 PolarHBondContact O-N 2.73Å; D365-R368 IonicContact OD1-CZ 3.67Å; D365-R368 IonicContact OD1-NH2 2.67Å; D365-R368 PolarHBondContact OD1-NH2 2.84Å; I366-R368 PolarHBondContact O-N 2.76Å; R368-G371 PolarHBondContact O-N 3.36Å
369L87.8Confident65.1Low40 Ų4084.7 Ų84.721%0.20945%0.452CS..Hα-helixtrans-77.1-29.2179.2-66173.4000113.2V253 L342 D344 V350 D365 I366 I367V253-L369 HydrophobicContact CG1-CB 4.15Å; V253-L369 HydrophobicContact CG1-CD1 4.01Å; V253-L369 HydrophobicContact CG2-CB 3.61Å; L342-L369 HydrophobicContact CD1-CD1 4.05Å; L342-L369 HydrophobicContact CD2-CD1 3.5Å; L342-L369 VanDerWaalsContact CD2-CD1 3.5Å; L342-L369 HydrophobicContact CG-CD1 3.57Å; D344-L369 HydrophobicContact CB-CD2 3.94Å; V350-L369 HydrophobicContact CG2-CD1 3.64Å; V350-L369 HydrophobicContact CG2-CD2 4.35Å; D365-L369 VanDerWaalsContact O-CG 3.31Å; D365-L369 WeakPolarHBondContact O-CG 3.32Å; D365-L369 PolarHBondContact O-N 3.26Å; D365-L369 VanDerWaalsContact O-N 3.13Å; I366-L369 PolarHBondContact O-N 3.19Å; I367-L369 VanDerWaalsContact C-N 3.33Å; I367-L369 PolarHBondContact O-N 3.02Å
370L80Confident64.7Low5 Ų588 Ų883%0.02647%0.468CS..Hα-helixtrans-72.1-22.5172.1-67.2176.4000111.7V253 E266 R345 I366 I367 L374V253-L370 HydrophobicContact CB-CD2 3.96Å; V253-L370 HydrophobicContact CG2-CD2 3.67Å; V253-L370 HydrophobicContact CG2-CG 4.2Å; E266-L370 HydrophobicContact CB-CD1 4.11Å; E266-L370 WeakPolarHBondContact OE2-CD1 3.18Å; R345-L370 PolarHBondContact NH2-O 3.35Å; I366-L370 HydrophobicContact CG2-CD1 3.73Å; I366-L370 HydrophobicContact CG2-CG 4.22Å; I366-L370 WeakPolarHBondContact O-CG 3.27Å; I366-L370 PolarHBondContact O-N 2.83Å; I367-L370 PolarHBondContact O-N 2.95Å; L370-L374 HydrophobicContact CD1-CD1 4.11Å
371G76.5Confident64.5Low27 Ų2787.9 Ų87.928%0.27847%0.471SS..  trans82.8152.3-176.300000111.3I367 R368 S373I367-G371 PolarHBondContact O-N 3.08Å; R368-G371 PolarHBondContact O-N 3.36Å; G371-S373 PolarHBondContact O-N 2.93Å
372S49Very low63.6Low102 Ų10289.2 Ų89.271%0.71348%0.475SS*.SBendtrans-607.4-175.4-34.40000115.9L374 N375S372-L374 PolarHBondContact O-N 2.61Å; S372-L374 VanDerWaalsContact O-N 3.12Å; S372-N375 PolarHBondContact O-N 2.7Å
373S43.1Very low62.4Low101 Ų10194.7 Ų94.771%0.70650%0.504SS*.THydrogen-bonded Turntrans-74.39.7178.257.30000114.2G371G371-S373 PolarHBondContact O-N 2.93Å
374L43.1Very low61.4Low83 Ų8394.7 Ų94.744%0.43551%0.514SS..THydrogen-bonded Turntrans-100.32.6168.9-71.5173000113.5L370 S372L370-L374 HydrophobicContact CD1-CD1 4.11Å; S372-L374 PolarHBondContact O-N 2.61Å; S372-L374 VanDerWaalsContact O-N 3.12Å
375N32.8Very low59.9Low130 Ų13092.4 Ų92.470%0.69550%0.502SS*.SBendtrans-9712.1179.2-74.8-14.2000115S372S372-N375 PolarHBondContact O-N 2.7Å
376E28.8Very low57.8Low193 Ų19398.2 Ų98.290%0.90253%0.534SS*.SBendtrans-141.643.1177.2-69.8-167.9170.700114.2
377A28.8Very low55.7Low90 Ų90106.3 Ų106.374%0.74458%0.578SS**  trans-139.1104.1165.900000111.4
378E31.5Very low53.6Low279 Ų279111.1 Ų111.1100%1.30461%0.606SS**  trans75.70169-66.7-174.315200119.8

Retrieved 378 of 378 residues in 2941.9 ms (Link to these results)

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