A0A061IK51_CRIGR Loading...

Gamma-secretase-activating protein

AlphaFold DB , UniProt , Accession A0A061IK51, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Gsap, Length 850 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
1M66.9Low81.2Confident109 Ų10952.5 Ų52.554%0.53727%0.273SS..  01530-73.1177.9173.200107L3 D404 Y407M1-L3 VanDerWaalsContact C-N 3.25Å; M1-L3 PolarHBondContact O-N 3.15Å; M1-D404 PolarHBondContact N-OD2 3.45Å; M1-D404 WeakPolarHBondContact O-CB 3.25Å; M1-D404 VanDerWaalsContact O-CG 3.29Å; M1-Y407 WeakPolarHBondContact O-CB 3.46Å
2A70.6Confident81.3Confident6 Ų658.6 Ų58.65%0.0529%0.289CS..  trans-62.7-31.3-179.400000114.3L350 L367 D404 Y407A2-L350 HydrophobicContact CB-CD2 3.86Å; A2-L367 HydrophobicContact CB-CD1 3.56Å; A2-D404 PolarHBondContact O-N 2.87Å; A2-D404 VanDerWaalsContact O-N 3.09Å; A2-Y407 HydrophobicContact CB-CD1 3.85Å; A2-Y407 HydrophobicContact CB-CE1 3.67Å
3L80.4Confident81.5Confident13 Ų1358.4 Ų58.47%0.06830%0.303CS..EExtended strand (participates in β ladder)trans-114.6134.4175.9-65.1171.2000110.7M1 L337 A342 L350 L352 L377 T402 L403M1-L3 VanDerWaalsContact C-N 3.25Å; M1-L3 PolarHBondContact O-N 3.15Å; L3-L337 HydrophobicContact CD2-CD1 3.4Å; L3-L337 VanDerWaalsContact CD2-CD1 3.4Å; L3-L337 HydrophobicContact CD2-CD2 4.28Å; L3-A342 HydrophobicContact CD1-CB 4.19Å; L3-L350 HydrophobicContact CD1-CD1 3.99Å; L3-L350 HydrophobicContact CD1-CD2 4.03Å; L3-L350 HydrophobicContact CG-CD2 4.18Å; L3-L352 HydrophobicContact CD2-CD2 4.4Å; L3-L377 HydrophobicContact CD1-CD1 4.2Å; L3-T402 WeakPolarHBondContact CA-O 3.44Å; L3-L403 HydrophobicContact CD2-CD2 3.97Å
4R83.3Confident81.7Confident156 Ų15658.1 Ų58.159%0.58930%0.302SS*.EExtended strand (participates in β ladder)trans-104.6119.4171.1-175.9179.1-178.2-178.20.3109.2V6 T402 D404R4-V6 HydrophobicContact CG-CG2 4.31Å; R4-T402 PolarHBondContact N-O 3.43Å; R4-T402 PolarHBondContact O-N 2.89Å; R4-T402 PolarHBondContact O-OG1 3.48Å; R4-D404 HydrophobicContact CB-CB 4.16Å
5L84.2Confident81.8Confident46 Ų4654.3 Ų54.324%0.24128%0.282CS..EExtended strand (participates in β ladder)trans-93.5118.8172-63.9-174.8000109.8L377 P378 I390 Y399 A401L5-L377 HydrophobicContact CD1-CD2 3.55Å; L5-L377 HydrophobicContact CD2-CD2 3.79Å; L5-L377 HydrophobicContact CG-CD2 3.8Å; L5-P378 HydrophobicContact CD1-CG 4.36Å; L5-I390 HydrophobicContact CD2-CD1 4Å; L5-Y399 HydrophobicContact CB-CD1 3.97Å; L5-Y399 HydrophobicContact CB-CG 4.17Å; L5-Y399 HydrophobicContact CD1-CD1 4.46Å; L5-Y399 HydrophobicContact CD1-CD2 4.32Å; L5-Y399 HydrophobicContact CD1-CG 4.18Å; L5-A401 HydrophobicContact CD2-CB 3.84Å
6V84.7Confident81.7Confident70 Ų7052.8 Ų52.842%0.42427%0.274SS..EExtended strand (participates in β ladder)trans-104.3122.3172.8-177.60000108R4 H8 Y399 R400R4-V6 HydrophobicContact CG-CG2 4.31Å; V6-H8 PolarHBondContact O-N 3.48Å; V6-Y399 CarbonylContact O-C 3.59Å; V6-Y399 WeakPolarHBondContact O-CA 3.38Å; V6-R400 PolarHBondContact N-O 3.42Å; V6-R400 PolarHBondContact O-N 3.31Å
7A84.5Confident81.6Confident68 Ų6854.2 Ų54.256%0.56229%0.288SS*.EExtended strand (participates in β ladder)trans-62.6120.5177.400000109.8Y399A7-Y399 HydrophobicContact CB-CD1 4.3Å; A7-Y399 HydrophobicContact CB-CE1 4.33Å
8H83.8Confident81.4Confident78 Ų7852.8 Ų52.836%0.36128%0.283SS..EExtended strand (participates in β ladder)trans-95.7-36.2175.6-174.2-82.8000111.1V6 L389 V398V6-H8 PolarHBondContact O-N 3.48Å; H8-L389 HydrophobicContact CB-CD2 4.32Å; H8-V398 WeakPolarHBondContact CA-O 3.4Å; H8-V398 HydrophobicContact CB-CG1 4.45Å; H8-V398 WeakPolarHBondContact CB-O 3.28Å; H8-V398 PolarHBondContact N-O 3.44Å
9F85.8Confident81.2Confident2 Ų250.8 Ų50.81%0.00927%0.272CS..EExtended strand (participates in β ladder)trans-151.9141.7175.8170.8-106.9000110.2V11 D14 V15 V44 I53 Y69 K397 V398F9-V11 HydrophobicContact CD1-CG2 4.23Å; F9-V11 HydrophobicContact CE1-CB 4.19Å; F9-V11 HydrophobicContact CE1-CG2 3.32Å; F9-V11 HydrophobicContact CZ-CB 4.4Å; F9-V11 HydrophobicContact CZ-CG2 3.87Å; F9-D14 WeakPolarHBondContact CA-OD2 3.34Å; F9-D14 HydrophobicContact CD2-CB 3.82Å; F9-D14 VanDerWaalsContact CD2-OD2 3.26Å; F9-D14 WeakPolarHBondContact CD2-OD2 3.23Å; F9-D14 HydrophobicContact CE2-CB 3.7Å; F9-V15 HydrophobicContact CE2-CG2 3.88Å; F9-V15 HydrophobicContact CZ-CG2 3.65Å; F9-V44 HydrophobicContact CE1-CG2 3.96Å; F9-I53 HydrophobicContact CB-CD1 3.54Å; F9-I53 HydrophobicContact CD1-CD1 3.32Å; F9-I53 HydrophobicContact CD1-CG2 4.27Å; F9-I53 HydrophobicContact CD2-CD1 3.89Å; F9-I53 HydrophobicContact CE1-CB 4.38Å; F9-I53 HydrophobicContact CE1-CD1 3.83Å; F9-I53 HydrophobicContact CE1-CG2 3.74Å; F9-I53 HydrophobicContact CE2-CD1 4.36Å; F9-I53 HydrophobicContact CG-CD1 3.32Å; F9-I53 HydrophobicContact CZ-CB 4.48Å; F9-I53 HydrophobicContact CZ-CD1 4.33Å; F9-I53 HydrophobicContact CZ-CG2 4.12Å; F9-Y69 AromaticContact CD2-CD1 3.48Å; F9-Y69 HydrophobicContact CD2-CD1 3.48Å; F9-Y69 VanDerWaalsContact CD2-CD1 3.48Å; F9-Y69 AromaticContact CD2-CE1 3.48Å; F9-Y69 HydrophobicContact CD2-CE1 3.48Å; F9-Y69 VanDerWaalsContact CD2-CE1 3.48Å; F9-Y69 HydrophobicContact CD2-CG 4.18Å; F9-Y69 AromaticContact CE2-CD1 3.42Å; F9-Y69 HydrophobicContact CE2-CD1 3.42Å; F9-Y69 VanDerWaalsContact CE2-CD1 3.42Å; F9-Y69 HydrophobicContact CE2-CD2 4.25Å; F9-Y69 AromaticContact CE2-CE1 3.8Å; F9-Y69 HydrophobicContact CE2-CE1 3.8Å; F9-Y69 AromaticContact CE2-CG 3.64Å; F9-Y69 HydrophobicContact CE2-CG 3.64Å; F9-Y69 HydrophobicContact CZ-CD1 4.43Å; F9-K397 WeakPolarHBondContact O-CA 3.5Å; F9-V398 HydrophobicContact CB-CB 4.18Å; F9-V398 HydrophobicContact CB-CG2 4.48Å; F9-V398 HydrophobicContact CD1-CG2 4.22Å; F9-V398 PolarHBondContact N-O 3.48Å; F9-V398 VanDerWaalsContact N-O 3.11Å; F9-V398 PolarHBondContact O-N 3.04Å
10D86.4Confident80.7Confident25 Ų2551.3 Ų51.313%0.13428%0.277CS..EExtended strand (participates in β ladder)trans-131.7109.7172.1-177.2-18.3000108.6R12 A13 D14 K397D10-R12 PolarHBondContact O-N 3.12Å; D10-R12 PolarHBondContact OD1-N 3.29Å; D10-A13 HydrophobicContact CB-CB 3.89Å; D10-A13 PolarHBondContact O-N 2.98Å; D10-A13 PolarHBondContact OD1-N 2.93Å; D10-D14 PolarHBondContact N-OD2 3.31Å; D10-D14 WeakPolarHBondContact O-CB 3.27Å; D10-D14 PolarHBondContact O-N 3.07Å; D10-K397 HydrophobicContact CB-CG 4.17Å; D10-K397 WeakPolarHBondContact OD2-CE 3.27Å; D10-K397 IonicContact OD2-NZ 3.45Å; D10-K397 PolarHBondContact OD2-NZ 2.87Å
11V82.9Confident80.1Confident4 Ų451.5 Ų51.52%0.02429%0.286CS..Iπ-helixtrans-46.7-41.2178.3173.10000112.1F9 V15 L42 V44 G396F9-V11 HydrophobicContact CD1-CG2 4.23Å; F9-V11 HydrophobicContact CE1-CB 4.19Å; F9-V11 HydrophobicContact CE1-CG2 3.32Å; F9-V11 HydrophobicContact CZ-CB 4.4Å; F9-V11 HydrophobicContact CZ-CG2 3.87Å; V11-V15 WeakPolarHBondContact O-CB 3.35Å; V11-V15 PolarHBondContact O-N 2.92Å; V11-L42 HydrophobicContact CG1-CD1 4.17Å; V11-L42 HydrophobicContact CG1-CD2 3.41Å; V11-L42 VanDerWaalsContact CG1-CD2 3.41Å; V11-L42 HydrophobicContact CG1-CG 3.38Å; V11-V44 HydrophobicContact CG2-CG2 3.21Å; V11-G396 WeakPolarHBondContact CG2-O 3.3Å
12R82.5Confident80.1Confident126 Ų12650 Ų5048%0.47528%0.277SS..Iπ-helixtrans-78.3-31.3-176.5-64.4-174.3-179.4178.41.9112.5D10 L16 Y39D10-R12 PolarHBondContact O-N 3.12Å; D10-R12 PolarHBondContact OD1-N 3.29Å; R12-L16 WeakPolarHBondContact O-CB 3.42Å; R12-Y39 PolarHBondContact NH1-OH 3.37Å
13A83.8Confident79.7Confident56 Ų5651.3 Ų51.346%0.46329%0.289SS..Iπ-helixtrans-86.6-36.9-179.300000112.4D10 P17D10-A13 HydrophobicContact CB-CB 3.89Å; D10-A13 PolarHBondContact O-N 2.98Å; D10-A13 PolarHBondContact OD1-N 2.93Å; A13-P17 WeakPolarHBondContact O-CD 3.43Å; A13-P17 WeakPolarHBondContact O-CG 3.5Å
14D84.6Confident78.5Confident55 Ų5554.1 Ų54.129%0.29431%0.314SS..Iπ-helixtrans-94.8-29.2-170-62.6-37.7000112.8F9 D10 Y69 N76F9-D14 WeakPolarHBondContact CA-OD2 3.34Å; F9-D14 HydrophobicContact CD2-CB 3.82Å; F9-D14 VanDerWaalsContact CD2-OD2 3.26Å; F9-D14 WeakPolarHBondContact CD2-OD2 3.23Å; F9-D14 HydrophobicContact CE2-CB 3.7Å; D10-D14 PolarHBondContact N-OD2 3.31Å; D10-D14 WeakPolarHBondContact O-CB 3.27Å; D10-D14 PolarHBondContact O-N 3.07Å; D14-Y69 HydrophobicContact CB-CE2 4.06Å; D14-N76 PolarHBondContact O-ND2 2.84Å
15V83.3Confident77.3Confident0 Ų052.7 Ų52.70%032%0.322CS..Iπ-helixtrans-99.6-44.5-178.1-174.80000111.9F9 V11 S18 L19 L42 Y55F9-V15 HydrophobicContact CE2-CG2 3.88Å; F9-V15 HydrophobicContact CZ-CG2 3.65Å; V11-V15 WeakPolarHBondContact O-CB 3.35Å; V11-V15 PolarHBondContact O-N 2.92Å; V15-S18 WeakPolarHBondContact O-CB 3.46Å; V15-S18 PolarHBondContact O-N 2.99Å; V15-L19 HydrophobicContact CG1-CD1 3.95Å; V15-L19 HydrophobicContact CG1-CG 4.08Å; V15-L19 PolarHBondContact O-N 2.92Å; V15-L19 VanDerWaalsContact O-N 3.15Å; V15-L42 HydrophobicContact CB-CD2 4.4Å; V15-L42 HydrophobicContact CG1-CD1 4.16Å; V15-L42 HydrophobicContact CG1-CD2 4.42Å; V15-Y55 HydrophobicContact CG1-CD1 4.18Å; V15-Y55 HydrophobicContact CG1-CD2 3.81Å; V15-Y55 HydrophobicContact CG1-CE1 3.76Å; V15-Y55 HydrophobicContact CG1-CE2 3.37Å; V15-Y55 HydrophobicContact CG1-CG 4.2Å; V15-Y55 HydrophobicContact CG2-CD1 3.93Å; V15-Y55 HydrophobicContact CG2-CE1 3.97Å; V15-Y55 HydrophobicContact CG2-CG 4.32Å
16L79.5Confident75.7Confident30 Ų3054.6 Ų54.616%0.15735%0.345CS..Hα-helixtrans-56.6-42.7-172.6-165.768000113.9R12 S18 L19 V20 Y39R12-L16 WeakPolarHBondContact O-CB 3.42Å; L16-S18 VanDerWaalsContact C-N 3.26Å; L16-S18 PolarHBondContact O-N 3.21Å; L16-L19 PolarHBondContact O-N 3.24Å; L16-V20 VanDerWaalsContact O-CG2 3.31Å; L16-V20 WeakPolarHBondContact O-CG2 3.36Å; L16-V20 PolarHBondContact O-N 3.07Å; L16-Y39 HydrophobicContact CD1-CD2 4.01Å; L16-Y39 HydrophobicContact CD2-CD2 3.76Å; L16-Y39 HydrophobicContact CD2-CE2 3.88Å
17P80.8Confident73.8Confident77 Ų7754.2 Ų54.250%0.535%0.349SS..Hα-helixtrans-61.9-34.7178.4-23.435.5000113A13 V20 A21A13-P17 WeakPolarHBondContact O-CD 3.43Å; A13-P17 WeakPolarHBondContact O-CG 3.5Å; P17-V20 PolarHBondContact O-N 2.9Å; P17-A21 WeakPolarHBondContact O-CB 3.35Å; P17-A21 PolarHBondContact O-N 2.98Å
18S77.3Confident71.8Confident30 Ų3060.7 Ų60.721%0.2137%0.368CS..Hα-helixtrans-69.2-38.6176.8-171.10000111.7V15 L16 A21 Q22 N76V15-S18 WeakPolarHBondContact O-CB 3.46Å; V15-S18 PolarHBondContact O-N 2.99Å; L16-S18 VanDerWaalsContact C-N 3.26Å; L16-S18 PolarHBondContact O-N 3.21Å; S18-A21 PolarHBondContact O-N 3.12Å; S18-Q22 WeakPolarHBondContact O-CB 3.44Å; S18-Q22 WeakPolarHBondContact O-CG 3.31Å; S18-Q22 PolarHBondContact O-N 3.2Å; S18-N76 WeakPolarHBondContact CB-ND2 3.45Å
19L76.6Confident69.8Low14 Ų1460.7 Ų60.77%0.07338%0.381CS..Hα-helixtrans-64.7-41.7175-64.3177.3000111.3V15 L16 Q22 A23 L42 Y57V15-L19 HydrophobicContact CG1-CD1 3.95Å; V15-L19 HydrophobicContact CG1-CG 4.08Å; V15-L19 PolarHBondContact O-N 2.92Å; V15-L19 VanDerWaalsContact O-N 3.15Å; L16-L19 PolarHBondContact O-N 3.24Å; L19-Q22 PolarHBondContact O-N 3.47Å; L19-A23 WeakPolarHBondContact O-CB 3.38Å; L19-A23 PolarHBondContact O-N 3.02Å; L19-L42 HydrophobicContact CD1-CD1 4.2Å; L19-L42 HydrophobicContact CD1-CD2 4.3Å; L19-Y57 HydrophobicContact CD1-CD1 4.19Å; L19-Y57 HydrophobicContact CD1-CE1 4.27Å; L19-Y57 HydrophobicContact CD1-CG 4.43Å; L19-Y57 HydrophobicContact CD2-CD1 4.2Å; L19-Y57 HydrophobicContact CD2-CE1 3.45Å; L19-Y57 VanDerWaalsContact CD2-CE1 3.45Å; L19-Y57 HydrophobicContact CD2-CE2 4.3Å
20V71.3Confident67.8Low61 Ų6164.9 Ų64.937%0.3743%0.425SS..Hα-helixtrans-61.7-44.8174.8175.80000111L16 P17 A23 A24 L35L16-V20 VanDerWaalsContact O-CG2 3.31Å; L16-V20 WeakPolarHBondContact O-CG2 3.36Å; L16-V20 PolarHBondContact O-N 3.07Å; P17-V20 PolarHBondContact O-N 2.9Å; V20-A23 PolarHBondContact O-N 3.43Å; V20-A24 WeakPolarHBondContact O-CB 3.07Å; V20-A24 PolarHBondContact O-N 3.3Å; V20-L35 HydrophobicContact CB-CD1 4.41Å; V20-L35 HydrophobicContact CG2-CD1 3.62Å; V20-L35 HydrophobicContact CG2-CD2 3.64Å; V20-L35 HydrophobicContact CG2-CG 4.16Å
21A68.7Low65.8Low56 Ų5668.9 Ų68.946%0.46345%0.446SS..Hα-helixtrans-64-42.9179.100000112.2P17 S18 A24 T25P17-A21 WeakPolarHBondContact O-CB 3.35Å; P17-A21 PolarHBondContact O-N 2.98Å; S18-A21 PolarHBondContact O-N 3.12Å; A21-A24 PolarHBondContact O-N 2.87Å; A21-T25 PolarHBondContact O-N 2.77Å; A21-T25 PolarHBondContact O-OG1 2.86Å
22Q66.6Low64Low76 Ų7675.3 Ų75.336%0.35549%0.486SS..Hα-helixtrans-64.4-40.4175.8-74.6175.3200112S18 L19 T25 A26S18-Q22 WeakPolarHBondContact O-CB 3.44Å; S18-Q22 WeakPolarHBondContact O-CG 3.31Å; S18-Q22 PolarHBondContact O-N 3.2Å; L19-Q22 PolarHBondContact O-N 3.47Å; Q22-T25 WeakPolarHBondContact CA-OG1 3.24Å; Q22-T25 PolarHBondContact O-N 3.37Å; Q22-T25 PolarHBondContact O-OG1 3.42Å; Q22-A26 WeakPolarHBondContact O-CB 3.34Å; Q22-A26 PolarHBondContact O-N 3.4Å
23A61.7Low62.3Low35 Ų3571.1 Ų71.129%0.28948%0.481SS..Hα-helixtrans-65.3-39.7174.200000112L19 V20 T25 A26 A27L19-A23 WeakPolarHBondContact O-CB 3.38Å; L19-A23 PolarHBondContact O-N 3.02Å; V20-A23 PolarHBondContact O-N 3.43Å; A23-T25 VanDerWaalsContact C-N 3.34Å; A23-T25 PolarHBondContact O-N 2.94Å; A23-A26 PolarHBondContact O-N 3.2Å; A23-A26 VanDerWaalsContact O-N 3.12Å; A23-A27 VanDerWaalsContact O-CB 3.27Å; A23-A27 WeakPolarHBondContact O-CB 3.43Å; A23-A27 PolarHBondContact O-N 2.9Å
24A57.2Low60.8Low72 Ų7269.8 Ų69.860%0.59547%0.467SS*.Hα-helixtrans-66.6-33.3177.200000112.9V20 A21 A26V20-A24 WeakPolarHBondContact O-CB 3.07Å; V20-A24 PolarHBondContact O-N 3.3Å; A21-A24 PolarHBondContact O-N 2.87Å; A24-A26 VanDerWaalsContact C-N 3.3Å
25T56.3Low59.4Low125 Ų12570.3 Ų70.377%0.76747%0.47SS*.Hα-helixtrans-73.4-21.217248.20000113.6A21 Q22 A23A21-T25 PolarHBondContact O-N 2.77Å; A21-T25 PolarHBondContact O-OG1 2.86Å; Q22-T25 WeakPolarHBondContact CA-OG1 3.24Å; Q22-T25 PolarHBondContact O-N 3.37Å; Q22-T25 PolarHBondContact O-OG1 3.42Å; A23-T25 VanDerWaalsContact C-N 3.34Å; A23-T25 PolarHBondContact O-N 2.94Å
26A51.3Low58Low86 Ų8676.5 Ų76.571%0.71150%0.499SS*.Hα-helixtrans-97.6-15.7-177.900000114Q22 A23 A24Q22-A26 WeakPolarHBondContact O-CB 3.34Å; Q22-A26 PolarHBondContact O-N 3.4Å; A23-A26 PolarHBondContact O-N 3.2Å; A23-A26 VanDerWaalsContact O-N 3.12Å; A24-A26 VanDerWaalsContact C-N 3.3Å
27A45.5Very low57.1Low62 Ų6278.4 Ų78.451%0.51251%0.512SS..  trans-107.394.7-171.400000113.9A23 A29A23-A27 VanDerWaalsContact O-CB 3.27Å; A23-A27 WeakPolarHBondContact O-CB 3.43Å; A23-A27 PolarHBondContact O-N 2.9Å; A27-A29 VanDerWaalsContact C-N 3.27Å; A27-A29 PolarHBondContact O-N 3.03Å
28E41.8Very low56.1Low205 Ų20575.3 Ų75.396%0.95849%0.492SS*.SBendtrans-8271.1141.1-75.2-170.9164.600108.8
29A41.1Very low55.5Low77 Ų7778.4 Ų78.464%0.63650%0.5SS*.SBendtrans172.3132.8156.600000110A27 D31A27-A29 VanDerWaalsContact C-N 3.27Å; A27-A29 PolarHBondContact O-N 3.03Å; A29-D31 PolarHBondContact O-N 3.36Å; A29-D31 VanDerWaalsContact O-N 3.15Å
30G44.9Very low55.1Low90 Ų9085.2 Ų85.293%0.92853%0.532SS*.  trans-70.3104-173.700000113.7
31D44Very low55.3Low110 Ų11083.3 Ų83.359%0.58852%0.521SS*.  trans-133.787.8178.2-154.75.9000110.2A29 G33 V34A29-D31 PolarHBondContact O-N 3.36Å; A29-D31 VanDerWaalsContact O-N 3.15Å; D31-G33 VanDerWaalsContact C-N 3.25Å; D31-G33 PolarHBondContact O-N 3.43Å; D31-V34 HydrophobicContact CB-CG2 3.56Å; D31-V34 WeakPolarHBondContact O-CB 3.28Å; D31-V34 VanDerWaalsContact O-CG2 3.27Å; D31-V34 WeakPolarHBondContact O-CG2 3.29Å; D31-V34 PolarHBondContact O-N 2.74Å; D31-V34 WeakPolarHBondContact OD2-CG2 3.28Å
32T44.5Very low55.9Low139 Ų13981.7 Ų81.785%0.85351%0.505SS*.THydrogen-bonded Turntrans-72.5-14.4-179.738.90000113.4V34T32-V34 VanDerWaalsContact C-N 3.3Å
33G47.5Very low56.5Low37 Ų3779.7 Ų79.738%0.38149%0.494SS..THydrogen-bonded Turntrans-76.5-13.4175.200000114.4D31 L35 E36 T37D31-G33 VanDerWaalsContact C-N 3.25Å; D31-G33 PolarHBondContact O-N 3.43Å; G33-L35 PolarHBondContact O-N 2.85Å; G33-E36 PolarHBondContact O-N 3.29Å; G33-T37 PolarHBondContact O-OG1 2.98Å
34V52.5Low57.6Low28 Ų2878.6 Ų78.617%0.1748%0.484CS..Hα-helixtrans-65.4-34.9-178.8167.20000113D31 T32 N60D31-V34 HydrophobicContact CB-CG2 3.56Å; D31-V34 WeakPolarHBondContact O-CB 3.28Å; D31-V34 VanDerWaalsContact O-CG2 3.27Å; D31-V34 WeakPolarHBondContact O-CG2 3.29Å; D31-V34 PolarHBondContact O-N 2.74Å; D31-V34 WeakPolarHBondContact OD2-CG2 3.28Å; T32-V34 VanDerWaalsContact C-N 3.3Å; V34-N60 WeakPolarHBondContact CG1-ND2 3.47Å; V34-N60 WeakPolarHBondContact CG1-OD1 3.46Å; V34-N60 WeakPolarHBondContact CG2-ND2 3.31Å
35L55.2Low58.8Low66 Ų6675.3 Ų75.335%0.34646%0.456SS..Hα-helixtrans-80.7-26-176.4-137.485.6000112.3V20 G33 Y39V20-L35 HydrophobicContact CB-CD1 4.41Å; V20-L35 HydrophobicContact CG2-CD1 3.62Å; V20-L35 HydrophobicContact CG2-CD2 3.64Å; V20-L35 HydrophobicContact CG2-CG 4.16Å; G33-L35 PolarHBondContact O-N 2.85Å; L35-Y39 WeakPolarHBondContact O-CB 3.48Å; L35-Y39 PolarHBondContact O-N 3.43Å
36E54.4Low60.3Low130 Ų13069.8 Ų69.861%0.60742%0.422SS*.Hα-helixtrans-74.8-43.2-170.6-149.2166.4-159.600111.4G33 Y39 E40G33-E36 PolarHBondContact O-N 3.29Å; E36-Y39 WeakPolarHBondContact O-CB 2.92Å; E36-Y39 PolarHBondContact O-N 2.8Å; E36-E40 WeakPolarHBondContact O-CG 3.4Å; E36-E40 PolarHBondContact O-N 2.83Å
37T59.1Low61.9Low71 Ų7166.8 Ų66.844%0.43639%0.393SS..Hα-helixtrans-68.4-38.217426.10000113.3G33 Y39 S41G33-T37 PolarHBondContact O-OG1 2.98Å; T37-Y39 VanDerWaalsContact C-N 3.33Å; T37-S41 WeakPolarHBondContact O-CB 3.46Å; T37-S41 PolarHBondContact O-N 2.78Å; T37-S41 PolarHBondContact O-OG 2.89Å
38A61.3Low63.9Low11 Ų1164 Ų649%0.09137%0.37CS..Hα-helixtrans-65.3-39.9172.100000110.8S41 L42 Y57A38-S41 PolarHBondContact O-N 2.61Å; A38-S41 PolarHBondContact O-OG 3.2Å; A38-L42 VanDerWaalsContact O-CB 3.24Å; A38-L42 WeakPolarHBondContact O-CB 3.36Å; A38-L42 PolarHBondContact O-N 3.03Å; A38-Y57 HydrophobicContact CB-CD2 4Å
39Y64.9Low65.9Low95 Ų9557.7 Ų57.737%0.37334%0.337SS..Hα-helixtrans-65.6-40.2179.4-176.9-97.1000113.3R12 L16 L35 E36 T37R12-Y39 PolarHBondContact NH1-OH 3.37Å; L16-Y39 HydrophobicContact CD1-CD2 4.01Å; L16-Y39 HydrophobicContact CD2-CD2 3.76Å; L16-Y39 HydrophobicContact CD2-CE2 3.88Å; L35-Y39 WeakPolarHBondContact O-CB 3.48Å; L35-Y39 PolarHBondContact O-N 3.43Å; E36-Y39 WeakPolarHBondContact O-CB 2.92Å; E36-Y39 PolarHBondContact O-N 2.8Å; T37-Y39 VanDerWaalsContact C-N 3.33Å
40E66.9Low67.8Low158 Ų15857 Ų5774%0.73832%0.323SS*.Hα-helixtrans-73.5-26.6178.6-72.9-176.1167.800113.6E36E36-E40 WeakPolarHBondContact O-CG 3.4Å; E36-E40 PolarHBondContact O-N 2.83Å
41S74.8Confident69.6Low21 Ų2154 Ų5415%0.14729%0.293CS..Hα-helixtrans-99.5-12.7-175.361.60000114.6T37 A38 R43 K58T37-S41 WeakPolarHBondContact O-CB 3.46Å; T37-S41 PolarHBondContact O-N 2.78Å; T37-S41 PolarHBondContact O-OG 2.89Å; A38-S41 PolarHBondContact O-N 2.61Å; A38-S41 PolarHBondContact O-OG 3.2Å; S41-R43 PolarHBondContact O-N 3.21Å; S41-R43 PolarHBondContact O-NH1 3Å; S41-R43 VanDerWaalsContact O-NH1 3.15Å; S41-K58 PolarHBondContact OG-N 2.88Å
42L81.8Confident71.7Confident22 Ų2248.9 Ų48.912%0.11527%0.265CS..  trans-65.6121.4-177.9-17766.7000111.7V11 V15 L19 A38 Y55 T56 Y57V11-L42 HydrophobicContact CG1-CD1 4.17Å; V11-L42 HydrophobicContact CG1-CD2 3.41Å; V11-L42 VanDerWaalsContact CG1-CD2 3.41Å; V11-L42 HydrophobicContact CG1-CG 3.38Å; V15-L42 HydrophobicContact CB-CD2 4.4Å; V15-L42 HydrophobicContact CG1-CD1 4.16Å; V15-L42 HydrophobicContact CG1-CD2 4.42Å; L19-L42 HydrophobicContact CD1-CD1 4.2Å; L19-L42 HydrophobicContact CD1-CD2 4.3Å; A38-L42 VanDerWaalsContact O-CB 3.24Å; A38-L42 WeakPolarHBondContact O-CB 3.36Å; A38-L42 PolarHBondContact O-N 3.03Å; L42-Y55 HydrophobicContact CD1-CD2 3.67Å; L42-Y55 HydrophobicContact CD1-CE2 4.31Å; L42-Y55 HydrophobicContact CD1-CG 4.4Å; L42-T56 CarbonylContact C-O 3.59Å; L42-T56 VanDerWaalsContact CA-O 3.3Å; L42-T56 WeakPolarHBondContact CA-O 3.48Å; L42-Y57 HydrophobicContact CD1-CD1 4.22Å; L42-Y57 HydrophobicContact CD1-CG 4.42Å
43R79.7Confident73.7Confident33 Ų3342.4 Ų42.413%0.12523%0.225CC..EExtended strand (participates in β ladder)trans-151.8154.4-178.264.1-174.3-177.8-83.4-2.3113S41 Y55 T56 A88S41-R43 PolarHBondContact O-N 3.21Å; S41-R43 PolarHBondContact O-NH1 3Å; S41-R43 VanDerWaalsContact O-NH1 3.15Å; R43-Y55 CarbonylContact O-C 3.51Å; R43-Y55 VanDerWaalsContact O-CA 3.24Å; R43-Y55 WeakPolarHBondContact O-CA 3.25Å; R43-Y55 WeakPolarHBondContact O-CB 3.22Å; R43-T56 HydrophobicContact CG-CG2 3.64Å; R43-T56 VanDerWaalsContact CZ-CG2 3.47Å; R43-T56 PolarHBondContact N-O 3.4Å; R43-T56 PolarHBondContact O-N 2.97Å; R43-A88 PolarHBondContact NH2-O 3.38Å
44V84.4Confident75.7Confident13 Ų1340.7 Ų40.78%0.07921%0.207CC..EExtended strand (participates in β ladder)trans-74.1132.7167.9-175.40000109.3F9 V11 I53F9-V44 HydrophobicContact CE1-CG2 3.96Å; V11-V44 HydrophobicContact CG2-CG2 3.21Å; V44-I53 HydrophobicContact CB-CG2 4.49Å; V44-I53 HydrophobicContact CG1-CG2 3.64Å; V44-I53 HydrophobicContact CG2-CG2 4.14Å
45L83.3Confident77.5Confident2 Ų239.5 Ų39.51%0.0120%0.2CC..EExtended strand (participates in β ladder)trans-100.9-43173.6-73.6-178.3000112.5I54 T56 F66 A88 C91 G262 Y263L45-I54 HydrophobicContact CB-CG2 4.42Å; L45-I54 PolarHBondContact N-O 3.45Å; L45-T56 HydrophobicContact CD1-CG2 3.57Å; L45-T56 HydrophobicContact CD2-CG2 3.73Å; L45-T56 HydrophobicContact CG-CG2 3.54Å; L45-F66 HydrophobicContact CD1-CD1 3.79Å; L45-F66 HydrophobicContact CD1-CE1 3.52Å; L45-A88 HydrophobicContact CD1-CB 3.94Å; L45-A88 HydrophobicContact CD2-CB 4.43Å; L45-C91 HydrophobicContact CB-CB 4.37Å; L45-C91 HydrophobicContact CD1-CB 3.76Å; L45-G262 WeakPolarHBondContact O-CA 3.23Å; L45-Y263 PolarHBondContact O-N 3.49Å
46N86.6Confident79Confident9 Ų936.4 Ų36.45%0.04818%0.184CC..EExtended strand (participates in β ladder)trans-159.1162.9-175-160.410.1000111.8I54 C91 Q148N46-I54 HydrophobicContact CB-CB 4.49Å; N46-I54 PolarHBondContact N-O 3.22Å; N46-I54 PolarHBondContact O-N 2.85Å; N46-C91 WeakPolarHBondContact CB-O 3.43Å; N46-C91 PolarHBondContact ND2-O 3.04Å; N46-Q148 PolarHBondContact ND2-OE1 2.98Å
47I85.1Confident80.5Confident23 Ų2331.8 Ų31.812%0.11816%0.161CC..EExtended strand (participates in β ladder)trans-126.6120.3174.3-58.7173.7000107.3N52 I53 M211 L385 V398I47-N52 WeakPolarHBondContact CA-O 3.47Å; I47-I53 HydrophobicContact CG1-CG1 4.29Å; I47-M211 WeakPolarHBondContact O-CE 3.17Å; I47-L385 HydrophobicContact CD1-CD1 3.36Å; I47-L385 HydrophobicContact CD1-CD2 4.34Å; I47-L385 HydrophobicContact CD1-CG 4.48Å; I47-V398 HydrophobicContact CD1-CG2 4.16Å
48E87.9Confident81.7Confident3 Ų331 Ų311%0.01415%0.151CC..  trans-80.9166.2-176.6-67.9-64.7174.600112.9N50 G51 N52 I54 S92 V93 Q148 Y151E48-N50 WeakPolarHBondContact CB-OD1 3.3Å; E48-N50 PolarHBondContact O-N 3.17Å; E48-G51 WeakPolarHBondContact O-CA 3.48Å; E48-G51 PolarHBondContact O-N 3.15Å; E48-N52 PolarHBondContact N-O 2.78Å; E48-I54 HydrophobicContact CG-CD1 3.9Å; E48-I54 HydrophobicContact CG-CG1 4.33Å; E48-I54 VanDerWaalsContact OE1-CD1 3.3Å; E48-I54 WeakPolarHBondContact OE1-CD1 3.41Å; E48-S92 WeakPolarHBondContact OE1-CA 3.21Å; E48-S92 VanDerWaalsContact OE1-CB 3.28Å; E48-S92 WeakPolarHBondContact OE1-CB 3.03Å; E48-S92 PolarHBondContact OE1-OG 3.31Å; E48-S92 PolarHBondContact OE2-OG 3.44Å; E48-V93 HydrophobicContact CG-CG1 4.11Å; E48-V93 PolarHBondContact OE1-N 3.06Å; E48-Q148 PolarHBondContact OE2-NE2 3.01Å; E48-Y151 WeakPolarHBondContact OE2-CE2 3.17Å
49R84.1Confident82.6Confident73 Ų7332.3 Ų32.328%0.27516%0.157SC..THydrogen-bonded Turntrans-55.4-36.1-178.6179.2177-172.6-164.12.1113.5G51 Y151 M211 S212 Q214R49-G51 PolarHBondContact O-N 2.9Å; R49-Y151 HydrophobicContact CB-CD1 4.31Å; R49-Y151 HydrophobicContact CB-CD2 4.37Å; R49-Y151 HydrophobicContact CB-CG 4.12Å; R49-Y151 PolarHBondContact NH1-O 2.83Å; R49-M211 WeakPolarHBondContact CG-O 3.4Å; R49-S212 PolarHBondContact NE-O 2.98Å; R49-S212 VanDerWaalsContact NE-O 3.12Å; R49-Q214 VanDerWaalsContact CD-NE2 3.3Å
50N81.6Confident83Confident62 Ų6232.4 Ų32.433%0.33216%0.164SC..THydrogen-bonded Turntrans-75.6-0.3178.462.1-2.9000113.5E48 N52E48-N50 WeakPolarHBondContact CB-OD1 3.3Å; E48-N50 PolarHBondContact O-N 3.17Å; N50-N52 VanDerWaalsContact C-N 3.34Å; N50-N52 PolarHBondContact ND2-ND2 2.88Å; N50-N52 VanDerWaalsContact ND2-ND2 3.15Å; N50-N52 VanDerWaalsContact OD1-CB 3.3Å; N50-N52 WeakPolarHBondContact OD1-CB 3.28Å; N50-N52 PolarHBondContact OD1-N 3.19Å
51G81.2Confident83.4Confident29 Ų2933.2 Ų33.230%0.29917%0.165SC..SBendtrans85.71.3-177.600000114.1E48 R49 C71E48-G51 WeakPolarHBondContact O-CA 3.48Å; E48-G51 PolarHBondContact O-N 3.15Å; R49-G51 PolarHBondContact O-N 2.9Å; G51-C71 PolarHBondContact O-SG 3.01Å
52N88Confident83.3Confident2 Ų233 Ų331%0.01117%0.166CC..  trans-70.7143.1176.8-68-3.1000110.6I47 E48 N50 L68 Y69 R97I47-N52 WeakPolarHBondContact CA-O 3.47Å; E48-N52 PolarHBondContact N-O 2.78Å; N50-N52 VanDerWaalsContact C-N 3.34Å; N50-N52 PolarHBondContact ND2-ND2 2.88Å; N50-N52 VanDerWaalsContact ND2-ND2 3.15Å; N50-N52 VanDerWaalsContact OD1-CB 3.3Å; N50-N52 WeakPolarHBondContact OD1-CB 3.28Å; N50-N52 PolarHBondContact OD1-N 3.19Å; N52-L68 HydrophobicContact CB-CD1 3.77Å; N52-L68 HydrophobicContact CB-CG 4.19Å; N52-Y69 WeakPolarHBondContact CA-O 3.05Å; N52-R97 PolarHBondContact ND2-NH2 3.37Å
53I88Confident83.4Confident3 Ų333 Ų332%0.01517%0.166CC..EExtended strand (participates in β ladder)trans-109.1121.9-172.7-56.9176.1000108.6F9 V44 I47 Y69 V398F9-I53 HydrophobicContact CB-CD1 3.54Å; F9-I53 HydrophobicContact CD1-CD1 3.32Å; F9-I53 HydrophobicContact CD1-CG2 4.27Å; F9-I53 HydrophobicContact CD2-CD1 3.89Å; F9-I53 HydrophobicContact CE1-CB 4.38Å; F9-I53 HydrophobicContact CE1-CD1 3.83Å; F9-I53 HydrophobicContact CE1-CG2 3.74Å; F9-I53 HydrophobicContact CE2-CD1 4.36Å; F9-I53 HydrophobicContact CG-CD1 3.32Å; F9-I53 HydrophobicContact CZ-CB 4.48Å; F9-I53 HydrophobicContact CZ-CD1 4.33Å; F9-I53 HydrophobicContact CZ-CG2 4.12Å; V44-I53 HydrophobicContact CB-CG2 4.49Å; V44-I53 HydrophobicContact CG1-CG2 3.64Å; V44-I53 HydrophobicContact CG2-CG2 4.14Å; I47-I53 HydrophobicContact CG1-CG1 4.29Å; I53-Y69 PolarHBondContact N-O 3.46Å; I53-Y69 PolarHBondContact O-N 2.6Å; I53-V398 HydrophobicContact CD1-CG2 4.33Å
54I89.3Confident83.7Confident0 Ų031.4 Ų31.40%016%0.16CC..EExtended strand (participates in β ladder)trans-90.6124.8175-59.4174.4000108.1L45 N46 E48 G67 L68 C91 V93L45-I54 HydrophobicContact CB-CG2 4.42Å; L45-I54 PolarHBondContact N-O 3.45Å; N46-I54 HydrophobicContact CB-CB 4.49Å; N46-I54 PolarHBondContact N-O 3.22Å; N46-I54 PolarHBondContact O-N 2.85Å; E48-I54 HydrophobicContact CG-CD1 3.9Å; E48-I54 HydrophobicContact CG-CG1 4.33Å; E48-I54 VanDerWaalsContact OE1-CD1 3.3Å; E48-I54 WeakPolarHBondContact OE1-CD1 3.41Å; I54-G67 WeakPolarHBondContact CA-O 3.41Å; I54-L68 HydrophobicContact CG1-CD1 3.67Å; I54-C91 HydrophobicContact CG2-CB 4.23Å; I54-V93 HydrophobicContact CD1-CB 4.33Å; I54-V93 HydrophobicContact CD1-CG1 4.09Å
55Y89.1Confident83.8Confident4 Ų431 Ų312%0.01616%0.158CC..EExtended strand (participates in β ladder)trans-121159.1175.765.8-94.3000111.1V15 L42 R43 Y57 G67 N76V15-Y55 HydrophobicContact CG1-CD1 4.18Å; V15-Y55 HydrophobicContact CG1-CD2 3.81Å; V15-Y55 HydrophobicContact CG1-CE1 3.76Å; V15-Y55 HydrophobicContact CG1-CE2 3.37Å; V15-Y55 HydrophobicContact CG1-CG 4.2Å; V15-Y55 HydrophobicContact CG2-CD1 3.93Å; V15-Y55 HydrophobicContact CG2-CE1 3.97Å; V15-Y55 HydrophobicContact CG2-CG 4.32Å; L42-Y55 HydrophobicContact CD1-CD2 3.67Å; L42-Y55 HydrophobicContact CD1-CE2 4.31Å; L42-Y55 HydrophobicContact CD1-CG 4.4Å; R43-Y55 CarbonylContact O-C 3.51Å; R43-Y55 VanDerWaalsContact O-CA 3.24Å; R43-Y55 WeakPolarHBondContact O-CA 3.25Å; R43-Y55 WeakPolarHBondContact O-CB 3.22Å; Y55-Y57 HydrophobicContact CD2-CD1 4.27Å; Y55-Y57 HydrophobicContact CE2-CD1 4.05Å; Y55-Y57 HydrophobicContact CE2-CE1 4.12Å; Y55-G67 PolarHBondContact N-O 2.92Å; Y55-G67 PolarHBondContact O-N 3.36Å; Y55-N76 WeakPolarHBondContact CE1-OD1 3.13Å
56T87.9Confident84.1Confident1 Ų131 Ų311%0.00616%0.157CC..EExtended strand (participates in β ladder)trans-134.7150173.3-1700000111.1L42 R43 L45 V65L42-T56 CarbonylContact C-O 3.59Å; L42-T56 VanDerWaalsContact CA-O 3.3Å; L42-T56 WeakPolarHBondContact CA-O 3.48Å; R43-T56 HydrophobicContact CG-CG2 3.64Å; R43-T56 VanDerWaalsContact CZ-CG2 3.47Å; R43-T56 PolarHBondContact N-O 3.4Å; R43-T56 PolarHBondContact O-N 2.97Å; L45-T56 HydrophobicContact CD1-CG2 3.57Å; L45-T56 HydrophobicContact CD2-CG2 3.73Å; L45-T56 HydrophobicContact CG-CG2 3.54Å; T56-V65 WeakPolarHBondContact CA-O 3.24Å; T56-V65 WeakPolarHBondContact CB-O 3.29Å; T56-V65 PolarHBondContact OG1-O 3.48Å
57Y86.1Confident84.2Confident32 Ų3230.6 Ų30.613%0.12516%0.156CC..EExtended strand (participates in β ladder)trans-145.5163.317065.3-82.3000109.2L19 A38 L42 Y55 V65L19-Y57 HydrophobicContact CD1-CD1 4.19Å; L19-Y57 HydrophobicContact CD1-CE1 4.27Å; L19-Y57 HydrophobicContact CD1-CG 4.43Å; L19-Y57 HydrophobicContact CD2-CD1 4.2Å; L19-Y57 HydrophobicContact CD2-CE1 3.45Å; L19-Y57 VanDerWaalsContact CD2-CE1 3.45Å; L19-Y57 HydrophobicContact CD2-CE2 4.3Å; A38-Y57 HydrophobicContact CB-CD2 4Å; L42-Y57 HydrophobicContact CD1-CD1 4.22Å; L42-Y57 HydrophobicContact CD1-CG 4.42Å; Y55-Y57 HydrophobicContact CD2-CD1 4.27Å; Y55-Y57 HydrophobicContact CE2-CD1 4.05Å; Y55-Y57 HydrophobicContact CE2-CE1 4.12Å; Y57-V65 HydrophobicContact CD1-CB 4.13Å; Y57-V65 HydrophobicContact CD1-CG1 4.41Å; Y57-V65 HydrophobicContact CD2-CB 4.41Å; Y57-V65 HydrophobicContact CE1-CB 3.69Å; Y57-V65 HydrophobicContact CE1-CG1 3.57Å; Y57-V65 HydrophobicContact CE2-CB 4.01Å; Y57-V65 HydrophobicContact CE2-CG1 4.42Å; Y57-V65 HydrophobicContact CE2-CG2 4Å; Y57-V65 HydrophobicContact CG-CB 4.47Å; Y57-V65 PolarHBondContact N-O 3.17Å; Y57-V65 PolarHBondContact O-N 3.15Å
58K84.1Confident84.4Confident56 Ų5629.6 Ų29.624%0.24315%0.151CC..EExtended strand (participates in β ladder)trans-93.9133.1171.4-68.4-162.4178.4-176.90110.5S41 N63 D85S41-K58 PolarHBondContact OG-N 2.88Å; K58-N63 VanDerWaalsContact CA-O 3.28Å; K58-N63 WeakPolarHBondContact CA-O 3.25Å; K58-D85 IonicContact NZ-OD1 3.56Å; K58-D85 PolarHBondContact NZ-OD1 2.85Å
59D80.3Confident84.5Confident37 Ų3730 Ų3020%0.19815%0.152CC..  trans-78.7179.5171.778.73.3000111.8K61 G62 N63 V65D59-K61 PolarHBondContact O-N 2.95Å; D59-K61 VanDerWaalsContact O-N 3.12Å; D59-K61 WeakPolarHBondContact OD1-CA 3.45Å; D59-K61 WeakPolarHBondContact OD1-CB 3.35Å; D59-K61 PolarHBondContact OD1-N 3.09Å; D59-G62 PolarHBondContact O-N 3.28Å; D59-G62 PolarHBondContact OD1-N 2.88Å; D59-G62 VanDerWaalsContact OD1-N 3.07Å; D59-N63 PolarHBondContact N-O 3.32Å; D59-N63 VanDerWaalsContact OD1-CB 3.29Å; D59-N63 WeakPolarHBondContact OD1-CB 3.37Å; D59-N63 PolarHBondContact OD1-N 3.5Å; D59-N63 PolarHBondContact OD1-ND2 3.19Å; D59-N63 WeakPolarHBondContact OD2-CB 3.47Å; D59-N63 PolarHBondContact OD2-ND2 3.32Å; D59-V65 HydrophobicContact CB-CG2 4.01Å
60N72.6Confident84.6Confident98 Ų9827.3 Ų27.352%0.52414%0.143SC..THydrogen-bonded Turntrans-61.9-21.9-177.9-53.8-4.1000113.6V34 G62V34-N60 WeakPolarHBondContact CG1-ND2 3.47Å; V34-N60 WeakPolarHBondContact CG1-OD1 3.46Å; V34-N60 WeakPolarHBondContact CG2-ND2 3.31Å; N60-G62 VanDerWaalsContact C-N 3.34Å
61K74.6Confident84.5Confident175 Ų17525.6 Ų25.676%0.76114%0.136SC*.THydrogen-bonded Turntrans-93.40.2179.3-61.2177.3-177.5175.50111.5D59 N63D59-K61 PolarHBondContact O-N 2.95Å; D59-K61 VanDerWaalsContact O-N 3.12Å; D59-K61 WeakPolarHBondContact OD1-CA 3.45Å; D59-K61 WeakPolarHBondContact OD1-CB 3.35Å; D59-K61 PolarHBondContact OD1-N 3.09Å; K61-N63 VanDerWaalsContact C-N 3.31Å; K61-N63 WeakPolarHBondContact CB-ND2 3.41Å
62G74.3Confident84.6Confident17 Ų1731.9 Ų31.918%0.17516%0.158CC..SBendtrans80.58.9-175.600000113.8D59 N60 D85D59-G62 PolarHBondContact O-N 3.28Å; D59-G62 PolarHBondContact OD1-N 2.88Å; D59-G62 VanDerWaalsContact OD1-N 3.07Å; N60-G62 VanDerWaalsContact C-N 3.34Å; G62-D85 WeakPolarHBondContact O-CA 3.28Å
63N83.5Confident84.4Confident20 Ų2035.5 Ų35.511%0.10718%0.18CC..PPolyproline II helixtrans-73142.9179.1-55-40.6000110.2K58 D59 K61 V65 T81 F82 E83K58-N63 VanDerWaalsContact CA-O 3.28Å; K58-N63 WeakPolarHBondContact CA-O 3.25Å; D59-N63 PolarHBondContact N-O 3.32Å; D59-N63 VanDerWaalsContact OD1-CB 3.29Å; D59-N63 WeakPolarHBondContact OD1-CB 3.37Å; D59-N63 PolarHBondContact OD1-N 3.5Å; D59-N63 PolarHBondContact OD1-ND2 3.19Å; D59-N63 WeakPolarHBondContact OD2-CB 3.47Å; D59-N63 PolarHBondContact OD2-ND2 3.32Å; K61-N63 VanDerWaalsContact C-N 3.31Å; K61-N63 WeakPolarHBondContact CB-ND2 3.41Å; N63-V65 PolarHBondContact O-N 2.83Å; N63-T81 HydrophobicContact CB-CG2 3.94Å; N63-F82 WeakPolarHBondContact CA-O 3.37Å; N63-F82 VanDerWaalsContact CB-O 3.28Å; N63-F82 WeakPolarHBondContact CB-O 3.44Å; N63-E83 VanDerWaalsContact OD1-CA 3.31Å; N63-E83 WeakPolarHBondContact OD1-CA 3.21Å
64S85.1Confident84.3Confident1 Ų144.8 Ų44.81%0.00722%0.215CC..EExtended strand (participates in β ladder)trans-80.2116.7172.9-75.60000110.4F82 M86S64-F82 PolarHBondContact N-O 2.78Å; S64-F82 PolarHBondContact O-N 2.95Å; S64-M86 PolarHBondContact OG-O 2.98Å
65V86.8Confident84.1Confident5 Ų551 Ų513%0.0324%0.244CC..EExtended strand (participates in β ladder)trans-99.5139.2174-174.50000109.4T56 Y57 D59 N63 T81T56-V65 WeakPolarHBondContact CA-O 3.24Å; T56-V65 WeakPolarHBondContact CB-O 3.29Å; T56-V65 PolarHBondContact OG1-O 3.48Å; Y57-V65 HydrophobicContact CD1-CB 4.13Å; Y57-V65 HydrophobicContact CD1-CG1 4.41Å; Y57-V65 HydrophobicContact CD2-CB 4.41Å; Y57-V65 HydrophobicContact CE1-CB 3.69Å; Y57-V65 HydrophobicContact CE1-CG1 3.57Å; Y57-V65 HydrophobicContact CE2-CB 4.01Å; Y57-V65 HydrophobicContact CE2-CG1 4.42Å; Y57-V65 HydrophobicContact CE2-CG2 4Å; Y57-V65 HydrophobicContact CG-CB 4.47Å; Y57-V65 PolarHBondContact N-O 3.17Å; Y57-V65 PolarHBondContact O-N 3.15Å; D59-V65 HydrophobicContact CB-CG2 4.01Å; N63-V65 PolarHBondContact O-N 2.83Å; V65-T81 HydrophobicContact CG2-CG2 4Å
66F89.4Confident84.1Confident0 Ų052.1 Ų52.10%025%0.25CS..EExtended strand (participates in β ladder)trans-113.9129.1175.9-62-90.3000109.9L45 L79 Y80 F82 A88 C91 L100 A102 F104L45-F66 HydrophobicContact CD1-CD1 3.79Å; L45-F66 HydrophobicContact CD1-CE1 3.52Å; F66-L79 HydrophobicContact CB-CB 4.38Å; F66-L79 PolarHBondContact O-N 2.8Å; F66-Y80 HydrophobicContact CD2-CD1 4.49Å; F66-Y80 PolarHBondContact N-O 2.88Å; F66-Y80 PolarHBondContact O-N 3.23Å; F66-F82 HydrophobicContact CE2-CB 4.45Å; F66-A88 HydrophobicContact CE1-CB 3.63Å; F66-A88 HydrophobicContact CZ-CB 3.6Å; F66-C91 HydrophobicContact CD1-CB 4.2Å; F66-C91 HydrophobicContact CE1-CB 4Å; F66-L100 HydrophobicContact CB-CD2 4.41Å; F66-L100 HydrophobicContact CD2-CD2 4.31Å; F66-L100 HydrophobicContact CG-CD2 4.28Å; F66-A102 HydrophobicContact CE1-CB 4.35Å; F66-A102 HydrophobicContact CZ-CB 4.04Å; F66-F104 AromaticContact CE2-CE1 3.85Å; F66-F104 HydrophobicContact CE2-CE1 3.85Å; F66-F104 AromaticContact CE2-CZ 3.67Å; F66-F104 HydrophobicContact CE2-CZ 3.67Å; F66-F104 AromaticContact CZ-CE1 3.56Å; F66-F104 HydrophobicContact CZ-CE1 3.56Å; F66-F104 AromaticContact CZ-CZ 3.53Å; F66-F104 HydrophobicContact CZ-CZ 3.53Å
67G89.2Confident84Confident1 Ų155.2 Ų55.21%0.0126%0.264CS..EExtended strand (participates in β ladder)trans-126.3156.3174.200000111.9I54 Y55 E77I54-G67 WeakPolarHBondContact CA-O 3.41Å; Y55-G67 PolarHBondContact N-O 2.92Å; Y55-G67 PolarHBondContact O-N 3.36Å; G67-E77 CarbonylContact C-O 3.56Å; G67-E77 VanDerWaalsContact CA-O 3.24Å; G67-E77 WeakPolarHBondContact CA-O 3.49Å
68L90.1Very high84.1Confident3 Ų357.9 Ų57.92%0.01628%0.278CS..EExtended strand (participates in β ladder)trans-116.9123.3176.4-170.770.1000108.6N52 I54 E77 L79 V93N52-L68 HydrophobicContact CB-CD1 3.77Å; N52-L68 HydrophobicContact CB-CG 4.19Å; I54-L68 HydrophobicContact CG1-CD1 3.67Å; L68-E77 HydrophobicContact CB-CB 4.46Å; L68-E77 PolarHBondContact N-O 2.94Å; L68-E77 PolarHBondContact O-N 3.45Å; L68-L79 HydrophobicContact CB-CD1 3.89Å; L68-L79 HydrophobicContact CB-CD2 4.01Å; L68-L79 HydrophobicContact CB-CG 3.89Å; L68-L79 HydrophobicContact CD2-CD2 4.39Å; L68-V93 HydrophobicContact CD1-CG1 4.29Å
69Y88.8Confident84.2Confident10 Ų1055.6 Ų55.64%0.03927%0.268CS..EExtended strand (participates in β ladder)trans-96.8119168.2-178.2-105.5000109.4F9 D14 N52 I53 C71 R74 N76F9-Y69 AromaticContact CD2-CD1 3.48Å; F9-Y69 HydrophobicContact CD2-CD1 3.48Å; F9-Y69 VanDerWaalsContact CD2-CD1 3.48Å; F9-Y69 AromaticContact CD2-CE1 3.48Å; F9-Y69 HydrophobicContact CD2-CE1 3.48Å; F9-Y69 VanDerWaalsContact CD2-CE1 3.48Å; F9-Y69 HydrophobicContact CD2-CG 4.18Å; F9-Y69 AromaticContact CE2-CD1 3.42Å; F9-Y69 HydrophobicContact CE2-CD1 3.42Å; F9-Y69 VanDerWaalsContact CE2-CD1 3.42Å; F9-Y69 HydrophobicContact CE2-CD2 4.25Å; F9-Y69 AromaticContact CE2-CE1 3.8Å; F9-Y69 HydrophobicContact CE2-CE1 3.8Å; F9-Y69 AromaticContact CE2-CG 3.64Å; F9-Y69 HydrophobicContact CE2-CG 3.64Å; F9-Y69 HydrophobicContact CZ-CD1 4.43Å; D14-Y69 HydrophobicContact CB-CE2 4.06Å; N52-Y69 WeakPolarHBondContact CA-O 3.05Å; I53-Y69 PolarHBondContact N-O 3.46Å; I53-Y69 PolarHBondContact O-N 2.6Å; Y69-C71 PolarHBondContact O-N 3.34Å; Y69-R74 HydrophobicContact CE2-CB 4.49Å; Y69-R74 WeakPolarHBondContact OH-CB 3.47Å; Y69-N76 WeakPolarHBondContact CD2-OD1 3.34Å
70D86.3Confident84.4Confident18 Ų1855.1 Ų55.110%0.09626%0.264CS..EExtended strand (participates in β ladder)trans-86109.1174.7-172.5-49.1000109.2Q72 T73 R74 Q75 R97D70-Q72 PolarHBondContact O-N 3.03Å; D70-Q72 WeakPolarHBondContact OD1-CB 3.21Å; D70-Q72 PolarHBondContact OD1-N 3.24Å; D70-T73 VanDerWaalsContact CB-OG1 3.32Å; D70-T73 WeakPolarHBondContact CB-OG1 3.41Å; D70-T73 VanDerWaalsContact CG-OG1 3.26Å; D70-T73 PolarHBondContact OD1-N 3.23Å; D70-T73 PolarHBondContact OD1-OG1 3.48Å; D70-R74 WeakPolarHBondContact O-CA 3.24Å; D70-R74 PolarHBondContact O-N 3.36Å; D70-Q75 PolarHBondContact N-O 2.87Å; D70-R97 IonicContact OD2-CZ 3.47Å; D70-R97 IonicContact OD2-NH2 3.95Å; D70-R97 PolarHBondContact OD2-NH2 2.83Å
71C80.6Confident85.1Confident26 Ų2652.5 Ų52.518%0.17625%0.251CS..THydrogen-bonded Turntrans-67-21.7-175.8-74.40000113.3G51 Y69G51-C71 PolarHBondContact O-SG 3.01Å; Y69-C71 PolarHBondContact O-N 3.34Å
72Q83.3Confident85.5Confident161 Ų16145 Ų4575%0.75222%0.218SC*.THydrogen-bonded Turntrans-82.5-47.1-179.4-60.2-176.13.200111D70D70-Q72 PolarHBondContact O-N 3.03Å; D70-Q72 WeakPolarHBondContact OD1-CB 3.21Å; D70-Q72 PolarHBondContact OD1-N 3.24Å
73T84.3Confident85.9Confident78 Ų7851.8 Ų51.848%0.47925%0.246SC..THydrogen-bonded Turntrans-86.6-14.4-179.463.50000113.2D70 Q75D70-T73 VanDerWaalsContact CB-OG1 3.32Å; D70-T73 WeakPolarHBondContact CB-OG1 3.41Å; D70-T73 VanDerWaalsContact CG-OG1 3.26Å; D70-T73 PolarHBondContact OD1-N 3.23Å; D70-T73 PolarHBondContact OD1-OG1 3.48Å; T73-Q75 VanDerWaalsContact C-N 3.26Å; T73-Q75 PolarHBondContact O-N 2.9Å
74R84.7Confident85.6Confident197 Ų19756.5 Ų56.574%0.74327%0.265SS*.THydrogen-bonded Turntrans55.838.8-173.1-58.5-172.7177.3-170.6-2.1112.9Y69 D70Y69-R74 HydrophobicContact CE2-CB 4.49Å; Y69-R74 WeakPolarHBondContact OH-CB 3.47Å; D70-R74 WeakPolarHBondContact O-CA 3.24Å; D70-R74 PolarHBondContact O-N 3.36Å
75Q85.9Confident85.2Confident132 Ų13261.1 Ų61.162%0.61729%0.29SS*.EExtended strand (participates in β ladder)trans-114146.4179.3-65.4-173-3.600111D70 T73D70-Q75 PolarHBondContact N-O 2.87Å; T73-Q75 VanDerWaalsContact C-N 3.26Å; T73-Q75 PolarHBondContact O-N 2.9Å
76N87.6Confident84.8Confident27 Ų2762 Ų6214%0.14429%0.294CS..EExtended strand (participates in β ladder)trans-98.8129.4172.9-67.6-78.9000109.3D14 S18 Y55 Y69D14-N76 PolarHBondContact O-ND2 2.84Å; S18-N76 WeakPolarHBondContact CB-ND2 3.45Å; Y55-N76 WeakPolarHBondContact CE1-OD1 3.13Å; Y69-N76 WeakPolarHBondContact CD2-OD1 3.34Å
77E87.8Confident84.4Confident66 Ų6664.3 Ų64.331%0.30831%0.305SS..EExtended strand (participates in β ladder)trans-116.6136.8176.3-174.2178.9179.200109.4G67 L68 R97G67-E77 CarbonylContact C-O 3.56Å; G67-E77 VanDerWaalsContact CA-O 3.24Å; G67-E77 WeakPolarHBondContact CA-O 3.49Å; L68-E77 HydrophobicContact CB-CB 4.46Å; L68-E77 PolarHBondContact N-O 2.94Å; L68-E77 PolarHBondContact O-N 3.45Å; E77-R97 IonicContact OE2-CZ 2.71Å; E77-R97 IonicContact OE2-NH1 2.88Å; E77-R97 PolarHBondContact OE2-NH1 2.97Å
78H87.6Confident84.1Confident88 Ų8864.3 Ų64.341%0.40731%0.305SS..EExtended strand (participates in β ladder)trans-81.8126.1171.1172.6-106000109.1T81H78-T81 PolarHBondContact NE2-OG1 3.21Å
79L85.4Confident83.6Confident7 Ų764.3 Ų64.34%0.03731%0.305CS..EExtended strand (participates in β ladder)trans-95.6-56.9178.9-66.3-179.5000111.4F66 L68 L100 I129F66-L79 HydrophobicContact CB-CB 4.38Å; F66-L79 PolarHBondContact O-N 2.8Å; L68-L79 HydrophobicContact CB-CD1 3.89Å; L68-L79 HydrophobicContact CB-CD2 4.01Å; L68-L79 HydrophobicContact CB-CG 3.89Å; L68-L79 HydrophobicContact CD2-CD2 4.39Å; L79-L100 HydrophobicContact CD1-CD1 4.05Å; L79-I129 VanDerWaalsContact O-CG2 3.29Å; L79-I129 WeakPolarHBondContact O-CG2 3.39Å
80Y85.8Confident83.5Confident28 Ų2863.8 Ų63.811%0.1130%0.303CS..EExtended strand (participates in β ladder)trans-161.7150.3-172.1-173.8-109.8000111.6F66 F82 L100 V127 V132 V135F66-Y80 HydrophobicContact CD2-CD1 4.49Å; F66-Y80 PolarHBondContact N-O 2.88Å; F66-Y80 PolarHBondContact O-N 3.23Å; Y80-F82 HydrophobicContact CD1-CB 4.45Å; Y80-F82 HydrophobicContact CE1-CB 4.01Å; Y80-F82 HydrophobicContact CE1-CD2 4.07Å; Y80-L100 HydrophobicContact CD1-CD2 4.26Å; Y80-L100 HydrophobicContact CG-CD2 4.27Å; Y80-V127 HydrophobicContact CD1-CG1 4.33Å; Y80-V127 HydrophobicContact CD2-CG1 3.85Å; Y80-V127 HydrophobicContact CE1-CG1 4.12Å; Y80-V127 HydrophobicContact CE1-CG2 4.29Å; Y80-V127 HydrophobicContact CE2-CG1 3.64Å; Y80-V127 HydrophobicContact CG-CG1 4.2Å; Y80-V132 HydrophobicContact CD2-CG1 4.39Å; Y80-V132 HydrophobicContact CE2-CG1 3.68Å; Y80-V135 WeakPolarHBondContact OH-CG2 3.42Å
81T86.1Confident83.7Confident42 Ų4263 Ų6326%0.25830%0.298SS..EExtended strand (participates in β ladder)trans-120.5122.8172.6-60.70000109.3N63 V65 H78N63-T81 HydrophobicContact CB-CG2 3.94Å; V65-T81 HydrophobicContact CG2-CG2 4Å; H78-T81 PolarHBondContact NE2-OG1 3.21Å
82F83.9Confident84.2Confident17 Ų1761.7 Ų61.78%0.07529%0.29CS..EExtended strand (participates in β ladder)trans-98.2111.9177.1-172-111.5000110.5N63 S64 F66 Y80 K84 M86 F104 L125N63-F82 WeakPolarHBondContact CA-O 3.37Å; N63-F82 VanDerWaalsContact CB-O 3.28Å; N63-F82 WeakPolarHBondContact CB-O 3.44Å; S64-F82 PolarHBondContact N-O 2.78Å; S64-F82 PolarHBondContact O-N 2.95Å; F66-F82 HydrophobicContact CE2-CB 4.45Å; Y80-F82 HydrophobicContact CD1-CB 4.45Å; Y80-F82 HydrophobicContact CE1-CB 4.01Å; Y80-F82 HydrophobicContact CE1-CD2 4.07Å; F82-K84 HydrophobicContact CD1-CB 3.99Å; F82-K84 HydrophobicContact CE1-CB 3.62Å; F82-K84 HydrophobicContact CE1-CD 4.15Å; F82-K84 HydrophobicContact CE1-CG 4.16Å; F82-K84 HydrophobicContact CZ-CB 4.37Å; F82-K84 HydrophobicContact CZ-CD 4.13Å; F82-K84 HydrophobicContact CZ-CG 4.43Å; F82-K84 PolarHBondContact O-N 3.39Å; F82-M86 HydrophobicContact CE1-CG 4.28Å; F82-M86 HydrophobicContact CE1-SD 3.91Å; F82-F104 HydrophobicContact CB-CE1 4.25Å; F82-F104 HydrophobicContact CB-CZ 4.08Å; F82-F104 HydrophobicContact CD1-CD1 4.25Å; F82-F104 AromaticContact CD1-CE1 3.82Å; F82-F104 HydrophobicContact CD1-CE1 3.82Å; F82-F104 AromaticContact CD1-CZ 3.97Å; F82-F104 HydrophobicContact CD1-CZ 3.97Å; F82-F104 HydrophobicContact CD2-CZ 4.4Å; F82-F104 HydrophobicContact CE1-CD1 4.47Å; F82-F104 HydrophobicContact CE1-CE1 4.4Å; F82-F104 HydrophobicContact CE1-CZ 4.47Å; F82-F104 HydrophobicContact CG-CE1 4.14Å; F82-F104 AromaticContact CG-CZ 3.9Å; F82-F104 HydrophobicContact CG-CZ 3.9Å; F82-L125 HydrophobicContact CD2-CD1 4.27Å; F82-L125 HydrophobicContact CE2-CD1 3.47Å; F82-L125 VanDerWaalsContact CE2-CD1 3.47Å; F82-L125 HydrophobicContact CZ-CD1 3.71Å
83E81.7Confident84.6Confident160 Ų16054.1 Ų54.175%0.74825%0.254SS*.  trans-75.545.5-173.1-57.8-173.3162.800114.3N63N63-E83 VanDerWaalsContact OD1-CA 3.31Å; N63-E83 WeakPolarHBondContact OD1-CA 3.21Å
84K77.6Confident84.7Confident120 Ų12050.4 Ų50.452%0.52223%0.232SC..SBendtrans-145.1146.5170.9-68.5-174.7177.7174.10110.6F82 M86F82-K84 HydrophobicContact CD1-CB 3.99Å; F82-K84 HydrophobicContact CE1-CB 3.62Å; F82-K84 HydrophobicContact CE1-CD 4.15Å; F82-K84 HydrophobicContact CE1-CG 4.16Å; F82-K84 HydrophobicContact CZ-CB 4.37Å; F82-K84 HydrophobicContact CZ-CD 4.13Å; F82-K84 HydrophobicContact CZ-CG 4.43Å; F82-K84 PolarHBondContact O-N 3.39Å; K84-M86 VanDerWaalsContact C-N 3.27Å; K84-M86 HydrophobicContact CB-CG 4.25Å; K84-M86 HydrophobicContact CD-CE 4.02Å; K84-M86 PolarHBondContact O-N 3.49Å
85D75.9Confident84.7Confident98 Ų9843.3 Ų43.352%0.52421%0.212SC..  trans-74.579.3173-171.514.1000110.8K58 G62K58-D85 IonicContact NZ-OD1 3.56Å; K58-D85 PolarHBondContact NZ-OD1 2.85Å; G62-D85 WeakPolarHBondContact O-CA 3.28Å
86M78.8Confident84.4Confident24 Ų2439.6 Ų39.612%0.11820%0.195CC..  trans-125.3157.1173.1-62.7-166.7176.400109.9S64 F82 K84 F104S64-M86 PolarHBondContact OG-O 2.98Å; F82-M86 HydrophobicContact CE1-CG 4.28Å; F82-M86 HydrophobicContact CE1-SD 3.91Å; K84-M86 VanDerWaalsContact C-N 3.27Å; K84-M86 HydrophobicContact CB-CG 4.25Å; K84-M86 HydrophobicContact CD-CE 4.02Å; K84-M86 PolarHBondContact O-N 3.49Å; M86-F104 HydrophobicContact CB-CB 3.98Å; M86-F104 HydrophobicContact CB-CD1 3.93Å; M86-F104 HydrophobicContact CB-CG 4.3Å; M86-F104 HydrophobicContact SD-CB 3.89Å; M86-F104 HydrophobicContact SD-CG 4.45Å
87Q80.3Confident84.3Confident47 Ų4741.9 Ų41.922%0.2220%0.201CC..EExtended strand (participates in β ladder)trans-99117.4175.8-170.8169.8-5.200110.2V89 F104 V105 Y107Q87-V89 PolarHBondContact O-N 2.96Å; Q87-F104 WeakPolarHBondContact O-CA 3.41Å; Q87-V105 PolarHBondContact N-O 2.82Å; Q87-V105 VanDerWaalsContact N-O 3.09Å; Q87-V105 PolarHBondContact O-N 2.85Å; Q87-Y107 HydrophobicContact CB-CD2 3.91Å; Q87-Y107 HydrophobicContact CB-CE2 3.97Å; Q87-Y107 HydrophobicContact CG-CE2 4.39Å
88A83.3Confident84.1Confident1 Ų139.4 Ų39.41%0.00819%0.191CC..EExtended strand (participates in β ladder)trans-67.4129.5171.800000111.1R43 L45 F66 S103 F104R43-A88 PolarHBondContact NH2-O 3.38Å; L45-A88 HydrophobicContact CD1-CB 3.94Å; L45-A88 HydrophobicContact CD2-CB 4.43Å; F66-A88 HydrophobicContact CE1-CB 3.63Å; F66-A88 HydrophobicContact CZ-CB 3.6Å; A88-S103 WeakPolarHBondContact CA-O 3.49Å; A88-F104 HydrophobicContact CB-CD1 4.27Å; A88-F104 HydrophobicContact CB-CE1 4.18Å
89V80.5Confident84.1Confident3 Ų335.2 Ų35.22%0.01817%0.172CC..EExtended strand (participates in β ladder)trans-103.6-42.6179.7175.60000111.6Q87 S103 V105 Y265Q87-V89 PolarHBondContact O-N 2.96Å; V89-S103 PolarHBondContact N-O 3.45Å; V89-V105 HydrophobicContact CG2-CB 3.95Å; V89-V105 HydrophobicContact CG2-CG2 3.44Å; V89-V105 VanDerWaalsContact CG2-CG2 3.44Å; V89-Y265 HydrophobicContact CG2-CE2 4.44Å
90S86.4Confident84.4Confident0 Ų034.9 Ų34.90%017%0.17CC..EExtended strand (participates in β ladder)trans-144.4145.6-178.7179.90000109.2A102 S103 W146 V147S90-A102 WeakPolarHBondContact O-CA 3.44Å; S90-S103 PolarHBondContact O-N 3.46Å; S90-W146 WeakPolarHBondContact OG-CA 3.32Å; S90-V147 PolarHBondContact OG-N 2.86Å
91C90.1Very high84.6Confident0 Ų033.6 Ų33.60%017%0.165CC..EExtended strand (participates in β ladder)trans-151.9142.2179.8-174.10000110.4L45 N46 I54 F66 L100 A101L45-C91 HydrophobicContact CB-CB 4.37Å; L45-C91 HydrophobicContact CD1-CB 3.76Å; N46-C91 WeakPolarHBondContact CB-O 3.43Å; N46-C91 PolarHBondContact ND2-O 3.04Å; I54-C91 HydrophobicContact CG2-CB 4.23Å; F66-C91 HydrophobicContact CD1-CB 4.2Å; F66-C91 HydrophobicContact CE1-CB 4Å; C91-L100 WeakPolarHBondContact SG-CD1 3Å; C91-A101 CarbonylContact C-O 3.54Å; C91-A101 VanDerWaalsContact CA-O 3.25Å; C91-A101 WeakPolarHBondContact CA-O 3.32Å; C91-A101 PolarHBondContact SG-O 3.35Å; C91-A101 VanDerWaalsContact SG-O 3.42Å
92S91.5Very high84.8Confident0 Ų031.6 Ų31.60%015%0.153CC..EExtended strand (participates in β ladder)trans-146149.6172.8-178.30000110.6E48 A101 V147 Q148 F149E48-S92 WeakPolarHBondContact OE1-CA 3.21Å; E48-S92 VanDerWaalsContact OE1-CB 3.28Å; E48-S92 WeakPolarHBondContact OE1-CB 3.03Å; E48-S92 PolarHBondContact OE1-OG 3.31Å; E48-S92 PolarHBondContact OE2-OG 3.44Å; S92-A101 PolarHBondContact N-O 3.34Å; S92-A101 PolarHBondContact O-N 3.19Å; S92-V147 WeakPolarHBondContact CB-O 3.33Å; S92-Q148 PolarHBondContact OG-NE2 2.92Å; S92-F149 WeakPolarHBondContact O-CD2 3.45Å; S92-F149 VanDerWaalsContact O-CE2 3.29Å; S92-F149 WeakPolarHBondContact O-CE2 3.42Å; S92-F149 PolarHBondContact OG-N 2.75Å
93V90.8Very high85Confident1 Ų130.8 Ų30.81%0.00615%0.149CC..EExtended strand (participates in β ladder)trans-119.5143.9176.972.90000110.2E48 I54 L68 L99 L100 I129 Y151E48-V93 HydrophobicContact CG-CG1 4.11Å; E48-V93 PolarHBondContact OE1-N 3.06Å; I54-V93 HydrophobicContact CD1-CB 4.33Å; I54-V93 HydrophobicContact CD1-CG1 4.09Å; L68-V93 HydrophobicContact CD1-CG1 4.29Å; V93-L99 WeakPolarHBondContact CA-O 3.47Å; V93-L99 WeakPolarHBondContact CG2-O 3.48Å; V93-L100 HydrophobicContact CB-CD1 4.27Å; V93-I129 HydrophobicContact CG2-CD1 3.99Å; V93-Y151 WeakPolarHBondContact O-CE2 3.1Å; V93-Y151 PolarHBondContact O-OH 2.68Å
94N88.1Confident85.2Confident1 Ų123.3 Ų23.31%0.00511%0.114CC..  trans-73.4165.5175.775.2-32.4000112.3E96 R97 T98 L99 F149 N161N94-E96 PolarHBondContact O-N 2.96Å; N94-R97 PolarHBondContact O-N 2.96Å; N94-R97 PolarHBondContact OD1-N 3.43Å; N94-T98 PolarHBondContact ND2-OG1 2.58Å; N94-T98 PolarHBondContact OD1-N 2.9Å; N94-T98 PolarHBondContact OD1-OG1 3.18Å; N94-L99 PolarHBondContact N-O 3.06Å; N94-L99 PolarHBondContact OD1-N 2.64Å; N94-L99 PolarHBondContact OD1-O 2.82Å; N94-F149 HydrophobicContact CB-CD1 3.93Å; N94-F149 HydrophobicContact CB-CD2 4.36Å; N94-F149 HydrophobicContact CB-CE1 4.14Å; N94-F149 HydrophobicContact CB-CG 4.05Å; N94-F149 HydrophobicContact CB-CZ 4.43Å; N94-N161 WeakPolarHBondContact CB-OD1 3.02Å; N94-N161 PolarHBondContact ND2-OD1 3.21Å
95S83.7Confident85.3Confident47 Ų4717.9 Ų17.933%0.3299%0.091SC..THydrogen-bonded Turntrans-58.4-32.5-176.755.80000114R97S95-R97 VanDerWaalsContact C-N 3.34Å
96E80.1Confident85Confident55 Ų5518 Ų1826%0.2579%0.088SC..THydrogen-bonded Turntrans-85.1-1.3179.6-57.9-164.5156.400113.8N94 T98 H157 R181N94-E96 PolarHBondContact O-N 2.96Å; E96-T98 HydrophobicContact CB-CG2 4.1Å; E96-T98 PolarHBondContact O-N 2.8Å; E96-H157 IonicContact OE1-ND1 2.95Å; E96-R181 IonicContact OE1-NH2 3.81Å; E96-R181 PolarHBondContact OE1-NH2 3.5Å; E96-R181 IonicContact OE2-CZ 3.98Å; E96-R181 IonicContact OE2-NH2 2.83Å; E96-R181 PolarHBondContact OE2-NH2 2.95Å
97R84.6Confident84.2Confident74 Ų7419.2 Ų19.228%0.2799%0.092SC..SBendtrans56.832.2-176.6-48.5-179.9-169.4-171.11.5113.6N52 D70 E77 N94 S95N52-R97 PolarHBondContact ND2-NH2 3.37Å; D70-R97 IonicContact OD2-CZ 3.47Å; D70-R97 IonicContact OD2-NH2 3.95Å; D70-R97 PolarHBondContact OD2-NH2 2.83Å; E77-R97 IonicContact OE2-CZ 2.71Å; E77-R97 IonicContact OE2-NH1 2.88Å; E77-R97 PolarHBondContact OE2-NH1 2.97Å; N94-R97 PolarHBondContact O-N 2.96Å; N94-R97 PolarHBondContact OD1-N 3.43Å; S95-R97 VanDerWaalsContact C-N 3.34Å
98T83.8Confident82.7Confident15 Ų1519 Ų199%0.0929%0.094CC..  trans-103.1-27.7-17950.80000113.3N94 E96 I129 A187N94-T98 PolarHBondContact ND2-OG1 2.58Å; N94-T98 PolarHBondContact OD1-N 2.9Å; N94-T98 PolarHBondContact OD1-OG1 3.18Å; E96-T98 HydrophobicContact CB-CG2 4.1Å; E96-T98 PolarHBondContact O-N 2.8Å; T98-I129 PolarHBondContact O-N 2.87Å; T98-A187 HydrophobicContact CG2-CB 3.73Å
99L88Confident80.8Confident0 Ų029.3 Ų29.30%014%0.139CC..EExtended strand (participates in β ladder)trans-123.3137.2-179.3-64.4-178.6000111.5V93 N94 L126 V127 E128 F149 N161 I177 I179 I189V93-L99 WeakPolarHBondContact CA-O 3.47Å; V93-L99 WeakPolarHBondContact CG2-O 3.48Å; N94-L99 PolarHBondContact N-O 3.06Å; N94-L99 PolarHBondContact OD1-N 2.64Å; N94-L99 PolarHBondContact OD1-O 2.82Å; L99-L126 HydrophobicContact CB-CD1 4.44Å; L99-V127 WeakPolarHBondContact CA-O 3.5Å; L99-E128 HydrophobicContact CD2-CG 3.84Å; L99-F149 HydrophobicContact CB-CE1 4.44Å; L99-F149 HydrophobicContact CB-CZ 3.85Å; L99-N161 HydrophobicContact CD1-CB 4.5Å; L99-I177 HydrophobicContact CD1-CG2 3.71Å; L99-I179 HydrophobicContact CD1-CD1 3.46Å; L99-I179 VanDerWaalsContact CD1-CD1 3.46Å; L99-I179 HydrophobicContact CD1-CG1 3.97Å; L99-I179 HydrophobicContact CD2-CD1 4.46Å; L99-I179 HydrophobicContact CG-CD1 3.77Å; L99-I189 HydrophobicContact CD2-CD1 4.13Å; L99-I189 HydrophobicContact CD2-CG1 4.05Å
100L90.5Very high78.8Confident0 Ų037.4 Ų37.40%018%0.176CC..EExtended strand (participates in β ladder)trans-117.3127.9172.9-169.572000109.7F66 L79 Y80 C91 V93 L126 V127 I129F66-L100 HydrophobicContact CB-CD2 4.41Å; F66-L100 HydrophobicContact CD2-CD2 4.31Å; F66-L100 HydrophobicContact CG-CD2 4.28Å; L79-L100 HydrophobicContact CD1-CD1 4.05Å; Y80-L100 HydrophobicContact CD1-CD2 4.26Å; Y80-L100 HydrophobicContact CG-CD2 4.27Å; C91-L100 WeakPolarHBondContact SG-CD1 3Å; V93-L100 HydrophobicContact CB-CD1 4.27Å; L100-L126 CarbonylContact O-C 3.58Å; L100-L126 WeakPolarHBondContact O-CA 3.19Å; L100-V127 HydrophobicContact CB-CB 4.27Å; L100-V127 PolarHBondContact N-O 2.82Å; L100-V127 PolarHBondContact O-N 3.34Å; L100-I129 HydrophobicContact CB-CD1 4.01Å; L100-I129 HydrophobicContact CB-CG1 4Å
101A90.9Very high76.7Confident0 Ų038.7 Ų38.70%019%0.19CC..EExtended strand (participates in β ladder)trans-105.9130.5167.400000108.3C91 S92 L125 L126 V147 F149 L163C91-A101 CarbonylContact C-O 3.54Å; C91-A101 VanDerWaalsContact CA-O 3.25Å; C91-A101 WeakPolarHBondContact CA-O 3.32Å; C91-A101 PolarHBondContact SG-O 3.35Å; C91-A101 VanDerWaalsContact SG-O 3.42Å; S92-A101 PolarHBondContact N-O 3.34Å; S92-A101 PolarHBondContact O-N 3.19Å; A101-L125 WeakPolarHBondContact CA-O 3.45Å; A101-L126 HydrophobicContact CB-CD1 4.4Å; A101-V147 HydrophobicContact CB-CB 4.05Å; A101-V147 HydrophobicContact CB-CG1 4.48Å; A101-V147 HydrophobicContact CB-CG2 3.91Å; A101-F149 HydrophobicContact CB-CD2 4.49Å; A101-F149 HydrophobicContact CB-CE2 3.7Å; A101-F149 HydrophobicContact CB-CZ 4.12Å; A101-L163 HydrophobicContact CB-CD1 3.65Å; A101-L163 HydrophobicContact CB-CD2 3.79Å; A101-L163 HydrophobicContact CB-CG 4.39Å
102A90.6Very high74.4Confident1 Ų143 Ų431%0.00822%0.216CC..EExtended strand (participates in β ladder)trans-142.6136.5-179.500000111.5F66 S90 F104 T124 L125F66-A102 HydrophobicContact CE1-CB 4.35Å; F66-A102 HydrophobicContact CZ-CB 4.04Å; S90-A102 WeakPolarHBondContact O-CA 3.44Å; A102-F104 HydrophobicContact CB-CD2 4.47Å; A102-F104 HydrophobicContact CB-CE2 3.6Å; A102-F104 HydrophobicContact CB-CZ 3.81Å; A102-T124 WeakPolarHBondContact O-CA 2.97Å; A102-L125 PolarHBondContact N-O 2.65Å; A102-L125 PolarHBondContact O-N 2.85Å
103S88.4Confident72.3Confident0 Ų048 Ų480%024%0.235CC..EExtended strand (participates in β ladder)trans-108.2131.5173.6-68.40000110.5A88 V89 S90 L123 T124 I145A88-S103 WeakPolarHBondContact CA-O 3.49Å; V89-S103 PolarHBondContact N-O 3.45Å; S90-S103 PolarHBondContact O-N 3.46Å; S103-L123 WeakPolarHBondContact CA-O 2.96Å; S103-T124 WeakPolarHBondContact OG-CG2 3.46Å; S103-T124 PolarHBondContact OG-OG1 2.9Å; S103-I145 WeakPolarHBondContact CB-O 3.4Å; S103-I145 PolarHBondContact OG-O 2.84Å
104F85.8Confident69.9Low3 Ų349 Ų491%0.01324%0.241CC..EExtended strand (participates in β ladder)trans-120.1140.1-176.6-62-87.1000111F66 F82 M86 Q87 A88 A102 C122 L123 L125F66-F104 AromaticContact CE2-CE1 3.85Å; F66-F104 HydrophobicContact CE2-CE1 3.85Å; F66-F104 AromaticContact CE2-CZ 3.67Å; F66-F104 HydrophobicContact CE2-CZ 3.67Å; F66-F104 AromaticContact CZ-CE1 3.56Å; F66-F104 HydrophobicContact CZ-CE1 3.56Å; F66-F104 AromaticContact CZ-CZ 3.53Å; F66-F104 HydrophobicContact CZ-CZ 3.53Å; F82-F104 HydrophobicContact CB-CE1 4.25Å; F82-F104 HydrophobicContact CB-CZ 4.08Å; F82-F104 HydrophobicContact CD1-CD1 4.25Å; F82-F104 AromaticContact CD1-CE1 3.82Å; F82-F104 HydrophobicContact CD1-CE1 3.82Å; F82-F104 AromaticContact CD1-CZ 3.97Å; F82-F104 HydrophobicContact CD1-CZ 3.97Å; F82-F104 HydrophobicContact CD2-CZ 4.4Å; F82-F104 HydrophobicContact CE1-CD1 4.47Å; F82-F104 HydrophobicContact CE1-CE1 4.4Å; F82-F104 HydrophobicContact CE1-CZ 4.47Å; F82-F104 HydrophobicContact CG-CE1 4.14Å; F82-F104 AromaticContact CG-CZ 3.9Å; F82-F104 HydrophobicContact CG-CZ 3.9Å; M86-F104 HydrophobicContact CB-CB 3.98Å; M86-F104 HydrophobicContact CB-CD1 3.93Å; M86-F104 HydrophobicContact CB-CG 4.3Å; M86-F104 HydrophobicContact SD-CB 3.89Å; M86-F104 HydrophobicContact SD-CG 4.45Å; Q87-F104 WeakPolarHBondContact O-CA 3.41Å; A88-F104 HydrophobicContact CB-CD1 4.27Å; A88-F104 HydrophobicContact CB-CE1 4.18Å; A102-F104 HydrophobicContact CB-CD2 4.47Å; A102-F104 HydrophobicContact CB-CE2 3.6Å; A102-F104 HydrophobicContact CB-CZ 3.81Å; F104-C122 CarbonylContact O-C 3.52Å; F104-C122 VanDerWaalsContact O-CA 3.25Å; F104-C122 WeakPolarHBondContact O-CA 3.35Å; F104-L123 PolarHBondContact N-O 2.96Å; F104-L123 PolarHBondContact O-N 2.88Å; F104-L125 HydrophobicContact CD2-CD1 3.98Å; F104-L125 HydrophobicContact CD2-CG 4.28Å; F104-L125 HydrophobicContact CE2-CB 4.46Å; F104-L125 HydrophobicContact CE2-CD1 3.77Å; F104-L125 HydrophobicContact CE2-CG 4.26Å
105V80.1Confident67.8Low6 Ų655.8 Ų55.84%0.03627%0.273CS..EExtended strand (participates in β ladder)trans-115.5139.6171.3175.40000110.2Q87 V89 Y107 K121 C122Q87-V105 PolarHBondContact N-O 2.82Å; Q87-V105 VanDerWaalsContact N-O 3.09Å; Q87-V105 PolarHBondContact O-N 2.85Å; V89-V105 HydrophobicContact CG2-CB 3.95Å; V89-V105 HydrophobicContact CG2-CG2 3.44Å; V89-V105 VanDerWaalsContact CG2-CG2 3.44Å; V105-Y107 HydrophobicContact CB-CE2 4.27Å; V105-Y107 HydrophobicContact CG1-CD2 4.24Å; V105-Y107 HydrophobicContact CG1-CE2 3.92Å; V105-K121 WeakPolarHBondContact CA-O 3.47Å; V105-C122 HydrophobicContact CG2-CB 4.14Å
106Q69.6Low65.7Low99 Ų9962 Ų6246%0.46330%0.295SS..  trans-90.1122.7-179.6-162.4169.913.600111K121Q106-K121 PolarHBondContact N-O 3.04Å
107Y60.6Low63.9Low51 Ų5165.4 Ų65.420%0.231%0.31CS..BIsolated β-bridgetrans-111.9149176.1-78.9-94.1000111.1Q87 V105 Y265Q87-Y107 HydrophobicContact CB-CD2 3.91Å; Q87-Y107 HydrophobicContact CB-CE2 3.97Å; Q87-Y107 HydrophobicContact CG-CE2 4.39Å; V105-Y107 HydrophobicContact CB-CE2 4.27Å; V105-Y107 HydrophobicContact CG1-CD2 4.24Å; V105-Y107 HydrophobicContact CG1-CE2 3.92Å; Y107-Y265 WeakPolarHBondContact OH-CE1 3.22Å; Y107-Y265 PolarHBondContact OH-OH 3.15Å
108T50.1Low61.8Low43 Ų4368.6 Ų68.626%0.26434%0.341SS..  trans-80.7157.9164.748.50000110E110 G111 V112T108-E110 PolarHBondContact O-N 3.38Å; T108-G111 PolarHBondContact O-N 3.04Å; T108-V112 PolarHBondContact OG1-O 2.83Å
109K43.4Very low60.3Low216 Ų21670 Ų7094%0.93936%0.358SS*.THydrogen-bonded Turntrans-57.1-10.3-177.3-71.9-176.1173.8-176.40115.1
110E37.5Very low58.9Low173 Ų17372.5 Ų72.581%0.80838%0.376SS*.THydrogen-bonded Turntrans-96.25.2178.5-68.6170.317200113.3T108 V112T108-E110 PolarHBondContact O-N 3.38Å; E110-V112 PolarHBondContact O-N 2.98Å
111G42.8Very low58Low28 Ų2876.4 Ų76.429%0.28939%0.393SS..SBendtrans71.78.4177.900000114.4T108 Q267T108-G111 PolarHBondContact O-N 3.04Å; G111-Q267 PolarHBondContact O-NE2 2.64Å; G111-Q267 PolarHBondContact O-OE1 3.47Å
112V41.3Very low57.6Low89 Ų8976.5 Ų76.554%0.53939%0.393SS..SBendtrans-96144.8175.6-177.50000109T108 E110 S114T108-V112 PolarHBondContact OG1-O 2.83Å; E110-V112 PolarHBondContact O-N 2.98Å; V112-S114 PolarHBondContact O-N 3.05Å
113R46.5Very low57.4Low106 Ų10678.3 Ų78.340%0.440%0.403SS..BIsolated β-bridgetrans-58.8126.1171.7-82.1-173.6176.7-171.51.2108.8E115 Y265R113-E115 PolarHBondContact O-N 3.3Å; R113-Y265 PolarHBondContact NH2-OH 3.29Å
114S41.6Very low57.4Low21 Ų2178.3 Ų78.315%0.14740%0.403CS..  trans-65.995.8173.2178.30000109.9V112 F116 H117V112-S114 PolarHBondContact O-N 3.05Å; S114-F116 PolarHBondContact O-N 3.24Å; S114-H117 PolarHBondContact OG-CD2 3.28Å
115E43.1Very low57.5Low144 Ų14478.3 Ų78.367%0.67340%0.403SS*.SBendtrans-74.2-13.6176.5-71.3-175.9165.900112.9R113R113-E115 PolarHBondContact O-N 3.3Å
116F40Very low58Low179 Ų17978 Ų7879%0.78540%0.401SS*.SBendtrans-125.623.6-163.6-65.7-75.8000116.3S114S114-F116 PolarHBondContact O-N 3.24Å
117H43.3Very low58.8Low125 Ų12573.4 Ų73.458%0.57938%0.38SS*.  trans-109.8132.6172.5-71.9-29.5000112.3S114 G119S114-H117 PolarHBondContact OG-CD2 3.28Å; H117-G119 PolarHBondContact O-N 3.08Å
118P39.3Very low60Low141 Ų14171.1 Ų71.192%0.91637%0.371SS*.SBendtrans-76.586.1177.430.2-31.7000110.2
119G53.4Low61.4Low45 Ų4569.3 Ų69.346%0.46436%0.36SS..SBendtrans-174.2151.6175.500000111.1H117 K121H117-G119 PolarHBondContact O-N 3.08Å; G119-K121 PolarHBondContact O-N 3.14Å
120S57.2Low62.6Low53 Ų5363.6 Ų63.637%0.37134%0.336SS..  trans-58.1126.8178.8-53.50000111.4C122 A140S120-C122 PolarHBondContact O-N 3.49Å; S120-A140 WeakPolarHBondContact OG-CB 3.11Å; S120-A140 PolarHBondContact OG-O 2.92Å
121K72.8Confident63.6Low82 Ų8256.6 Ų56.636%0.35731%0.305SS..SBendtrans-71.9-27.3-174-61.1175.2-179.3172.80114.4V105 Q106 G119 V141 D142V105-K121 WeakPolarHBondContact CA-O 3.47Å; Q106-K121 PolarHBondContact N-O 3.04Å; G119-K121 PolarHBondContact O-N 3.14Å; K121-V141 PolarHBondContact N-O 3.42Å; K121-V141 VanDerWaalsContact N-O 3.17Å; K121-D142 HydrophobicContact CD-CB 4.25Å; K121-D142 HydrophobicContact CG-CB 4.44Å; K121-D142 PolarHBondContact N-OD1 3.45Å
122C81.8Confident64.6Low1 Ų159.8 Ų59.81%0.00732%0.319CS..EExtended strand (participates in β ladder)trans-124.5127.4178.4-173.70000110.8F104 V105 S120 A140 V141 S143F104-C122 CarbonylContact O-C 3.52Å; F104-C122 VanDerWaalsContact O-CA 3.25Å; F104-C122 WeakPolarHBondContact O-CA 3.35Å; V105-C122 HydrophobicContact CG2-CB 4.14Å; S120-C122 PolarHBondContact O-N 3.49Å; C122-A140 WeakPolarHBondContact O-CA 3.34Å; C122-V141 WeakPolarHBondContact CA-O 3.45Å; C122-V141 HydrophobicContact CB-CG2 4.42Å; C122-V141 PolarHBondContact N-O 2.83Å; C122-V141 PolarHBondContact O-N 2.95Å; C122-V141 VanDerWaalsContact O-O 3.1Å; C122-S143 WeakPolarHBondContact CB-O 3.41Å
123L86.6Confident65.5Low39 Ų3960.9 Ų60.920%0.20432%0.322CS..EExtended strand (participates in β ladder)trans-116.1117.5178.7-174.171.6000109.6S103 F104 L125 V137 A140S103-L123 WeakPolarHBondContact CA-O 2.96Å; F104-L123 PolarHBondContact N-O 2.96Å; F104-L123 PolarHBondContact O-N 2.88Å; L123-L125 HydrophobicContact CD1-CD2 4.26Å; L123-L125 HydrophobicContact CD2-CD1 4.13Å; L123-L125 HydrophobicContact CD2-CD2 3.85Å; L123-L125 HydrophobicContact CD2-CG 4.16Å; L123-L125 HydrophobicContact CG-CD2 3.76Å; L123-L125 HydrophobicContact CG-CG 4.1Å; L123-V137 HydrophobicContact CD1-CG1 3.65Å; L123-V137 HydrophobicContact CD1-CG2 4.2Å; L123-A140 HydrophobicContact CD1-CB 3.98Å
124T87.8Confident66.7Low0 Ų057.9 Ų57.90%032%0.317CS..EExtended strand (participates in β ladder)trans-103.9122.5176.3-56.50000109.9A102 S103 L138 K139 I145 V147 L165A102-T124 WeakPolarHBondContact O-CA 2.97Å; S103-T124 WeakPolarHBondContact OG-CG2 3.46Å; S103-T124 PolarHBondContact OG-OG1 2.9Å; T124-L138 HydrophobicContact CG2-CB 4.24Å; T124-L138 HydrophobicContact CG2-CD1 4.24Å; T124-L138 PolarHBondContact O-N 3.36Å; T124-K139 PolarHBondContact N-O 2.84Å; T124-K139 PolarHBondContact O-N 2.95Å; T124-I145 HydrophobicContact CG2-CG2 4.2Å; T124-I145 WeakPolarHBondContact OG1-CB 3.5Å; T124-I145 WeakPolarHBondContact OG1-CD1 3.2Å; T124-I145 WeakPolarHBondContact OG1-CG2 3.21Å; T124-V147 HydrophobicContact CG2-CG1 3.62Å; T124-L165 HydrophobicContact CG2-CD1 4.25Å
125L89.6Confident68.5Low3 Ų360.2 Ų60.22%0.01633%0.331CS..EExtended strand (participates in β ladder)trans-116.8147.8-174.1-58.1-179.5000110.9F82 A101 A102 F104 L123 V127 V135 K136 V137F82-L125 HydrophobicContact CD2-CD1 4.27Å; F82-L125 HydrophobicContact CE2-CD1 3.47Å; F82-L125 VanDerWaalsContact CE2-CD1 3.47Å; F82-L125 HydrophobicContact CZ-CD1 3.71Å; A101-L125 WeakPolarHBondContact CA-O 3.45Å; A102-L125 PolarHBondContact N-O 2.65Å; A102-L125 PolarHBondContact O-N 2.85Å; F104-L125 HydrophobicContact CD2-CD1 3.98Å; F104-L125 HydrophobicContact CD2-CG 4.28Å; F104-L125 HydrophobicContact CE2-CB 4.46Å; F104-L125 HydrophobicContact CE2-CD1 3.77Å; F104-L125 HydrophobicContact CE2-CG 4.26Å; L123-L125 HydrophobicContact CD1-CD2 4.26Å; L123-L125 HydrophobicContact CD2-CD1 4.13Å; L123-L125 HydrophobicContact CD2-CD2 3.85Å; L123-L125 HydrophobicContact CD2-CG 4.16Å; L123-L125 HydrophobicContact CG-CD2 3.76Å; L123-L125 HydrophobicContact CG-CG 4.1Å; L125-V127 HydrophobicContact CB-CG2 4.42Å; L125-V135 HydrophobicContact CB-CG1 4.25Å; L125-V135 HydrophobicContact CD1-CG1 3.9Å; L125-V135 HydrophobicContact CD2-CG1 4.1Å; L125-V135 HydrophobicContact CG-CG1 4.31Å; L125-K136 CarbonylContact C-O 3.59Å; L125-K136 WeakPolarHBondContact CA-O 3Å; L125-V137 HydrophobicContact CD2-CB 4.22Å; L125-V137 HydrophobicContact CD2-CG2 3.69Å
126L88.8Confident70.4Confident0 Ų055.1 Ų55.10%031%0.306CS..EExtended strand (participates in β ladder)trans-116.2126.9166.4-178.565.9000107.9L99 L100 A101 K136 L138 F149 I177 I189 L195L99-L126 HydrophobicContact CB-CD1 4.44Å; L100-L126 CarbonylContact O-C 3.58Å; L100-L126 WeakPolarHBondContact O-CA 3.19Å; A101-L126 HydrophobicContact CB-CD1 4.4Å; L126-K136 PolarHBondContact N-O 2.81Å; L126-K136 PolarHBondContact O-N 2.81Å; L126-L138 HydrophobicContact CB-CD1 3.93Å; L126-L138 HydrophobicContact CB-CD2 4.03Å; L126-L138 HydrophobicContact CB-CG 3.84Å; L126-L138 HydrophobicContact CD2-CD2 4.25Å; L126-F149 HydrophobicContact CD1-CZ 3.94Å; L126-I177 HydrophobicContact CD1-CD1 4.01Å; L126-I177 HydrophobicContact CD2-CD1 3.68Å; L126-I177 HydrophobicContact CD2-CG1 4.12Å; L126-I177 HydrophobicContact CD2-CG2 4.3Å; L126-I189 HydrophobicContact CD2-CD1 3.59Å; L126-I189 HydrophobicContact CG-CD1 4Å; L126-L195 HydrophobicContact CD2-CD1 4.06Å
127V87.3Confident72.6Confident3 Ų350.3 Ų50.32%0.01829%0.291CS..EExtended strand (participates in β ladder)trans-125.9135.3-171.2-176.50000109.7Y80 L99 L100 L125 V135Y80-V127 HydrophobicContact CD1-CG1 4.33Å; Y80-V127 HydrophobicContact CD2-CG1 3.85Å; Y80-V127 HydrophobicContact CE1-CG1 4.12Å; Y80-V127 HydrophobicContact CE1-CG2 4.29Å; Y80-V127 HydrophobicContact CE2-CG1 3.64Å; Y80-V127 HydrophobicContact CG-CG1 4.2Å; L99-V127 WeakPolarHBondContact CA-O 3.5Å; L100-V127 HydrophobicContact CB-CB 4.27Å; L100-V127 PolarHBondContact N-O 2.82Å; L100-V127 PolarHBondContact O-N 3.34Å; L125-V127 HydrophobicContact CB-CG2 4.42Å; V127-V135 HydrophobicContact CG1-CG2 4.27Å; V127-V135 HydrophobicContact CG2-CG1 4.23Å; V127-V135 HydrophobicContact CG2-CG2 4.2Å
128E85.8Confident74.6Confident3 Ų345.5 Ų45.51%0.01427%0.27CS..EExtended strand (participates in β ladder)trans-85.4121.7168.2-67.9165.9172.100109L99 P131 V132 S134 I189L99-E128 HydrophobicContact CD2-CG 3.84Å; E128-P131 CarbonylContact C-O 3.53Å; E128-V132 WeakPolarHBondContact O-CA 3.41Å; E128-S134 PolarHBondContact N-O 3.26Å; E128-S134 PolarHBondContact OE1-OG 3.2Å; E128-S134 WeakPolarHBondContact OE2-CB 3.46Å; E128-S134 PolarHBondContact OE2-OG 2.83Å; E128-I189 HydrophobicContact CG-CD1 4Å; E128-I189 HydrophobicContact CG-CG1 4.17Å; E128-I189 WeakPolarHBondContact OE1-CB 3.41Å; E128-I189 WeakPolarHBondContact OE1-CG1 3.26Å; E128-I189 PolarHBondContact OE1-N 3.11Å
129I79.4Confident76.8Confident5 Ų540.4 Ų40.43%0.02623%0.233CC..  trans-83.8-39.3-175.1-55.7167.5000110.6L79 V93 T98 L100 P131 V132L79-I129 VanDerWaalsContact O-CG2 3.29Å; L79-I129 WeakPolarHBondContact O-CG2 3.39Å; V93-I129 HydrophobicContact CG2-CD1 3.99Å; T98-I129 PolarHBondContact O-N 2.87Å; L100-I129 HydrophobicContact CB-CD1 4.01Å; L100-I129 HydrophobicContact CB-CG1 4Å; I129-P131 CarbonylContact O-C 3.56Å; I129-V132 VanDerWaalsContact O-CG2 3.28Å; I129-V132 WeakPolarHBondContact O-CG2 3.49Å; I129-V132 PolarHBondContact O-N 2.88Å
130H67.8Low78.3Confident95 Ų9540.5 Ų40.544%0.4423%0.23SC..SBendtrans-135.499.5-173.4-66.5104.2000110.9A187H130-A187 PolarHBondContact O-N 2.79Å; H130-A187 VanDerWaalsContact O-N 3.09Å
131P59.7Low79.5Confident26 Ų2639.3 Ų39.317%0.16922%0.22CC..SBendcis-78161.5-4.634.4-35.3000112.6E128 I129 D133 R186E128-P131 CarbonylContact C-O 3.53Å; I129-P131 CarbonylContact O-C 3.56Å; P131-D133 HydrophobicContact CG-CB 4.03Å; P131-D133 WeakPolarHBondContact CG-OD2 3.41Å; P131-D133 PolarHBondContact O-N 2.82Å; P131-R186 HydrophobicContact CG-CB 4.48Å; P131-R186 HydrophobicContact CG-CG 4.26Å
132V63.5Low79.9Confident95 Ų9540 Ų4058%0.57623%0.228SC*.  trans-74.571171.4-175.80000109.4Y80 E128 I129Y80-V132 HydrophobicContact CD2-CG1 4.39Å; Y80-V132 HydrophobicContact CE2-CG1 3.68Å; E128-V132 WeakPolarHBondContact O-CA 3.41Å; I129-V132 VanDerWaalsContact O-CG2 3.28Å; I129-V132 WeakPolarHBondContact O-CG2 3.49Å; I129-V132 PolarHBondContact O-N 2.88Å
133D60.3Low79.7Confident112 Ų11240.4 Ų40.460%0.59923%0.23SC*.  trans-104.3-34.4-172-81.70.2000112.6P131P131-D133 HydrophobicContact CG-CB 4.03Å; P131-D133 WeakPolarHBondContact CG-OD2 3.41Å; P131-D133 PolarHBondContact O-N 2.82Å
134S71.1Confident79.5Confident44 Ų4438.8 Ų38.831%0.30822%0.223SC..  trans-143.2137.7-17680.90000115.1E128E128-S134 PolarHBondContact N-O 3.26Å; E128-S134 PolarHBondContact OE1-OG 3.2Å; E128-S134 WeakPolarHBondContact OE2-CB 3.46Å; E128-S134 PolarHBondContact OE2-OG 2.83Å
135V80.3Confident79.4Confident70 Ų7038.8 Ų38.842%0.42422%0.223SC..EExtended strand (participates in β ladder)trans-115.3118.7170.31770000107.6Y80 L125 V127Y80-V135 WeakPolarHBondContact OH-CG2 3.42Å; L125-V135 HydrophobicContact CB-CG1 4.25Å; L125-V135 HydrophobicContact CD1-CG1 3.9Å; L125-V135 HydrophobicContact CD2-CG1 4.1Å; L125-V135 HydrophobicContact CG-CG1 4.31Å; V127-V135 HydrophobicContact CG1-CG2 4.27Å; V127-V135 HydrophobicContact CG2-CG1 4.23Å; V127-V135 HydrophobicContact CG2-CG2 4.2Å
136K83.3Confident79.3Confident36 Ų3639.5 Ų39.516%0.15723%0.225CC..EExtended strand (participates in β ladder)trans-109.3131.1-179.9-176.5171.9174.9175.50111L125 L126 L138 S192 L195L125-K136 CarbonylContact C-O 3.59Å; L125-K136 WeakPolarHBondContact CA-O 3Å; L126-K136 PolarHBondContact N-O 2.81Å; L126-K136 PolarHBondContact O-N 2.81Å; K136-L138 PolarHBondContact O-N 2.85Å; K136-S192 WeakPolarHBondContact CE-O 3.36Å; K136-S192 PolarHBondContact NZ-O 2.99Å; K136-L195 HydrophobicContact CD-CD1 4.23Å
137V85.9Confident79.4Confident79 Ų7939.6 Ų39.648%0.47923%0.226SC..EExtended strand (participates in β ladder)trans-77.6115.8170.9-176.30000108.9L123 L125 A140L123-V137 HydrophobicContact CD1-CG1 3.65Å; L123-V137 HydrophobicContact CD1-CG2 4.2Å; L125-V137 HydrophobicContact CD2-CB 4.22Å; L125-V137 HydrophobicContact CD2-CG2 3.69Å; V137-A140 HydrophobicContact CG1-CB 4.39Å
138L84.8Confident79.6Confident24 Ų2439.7 Ų39.713%0.12623%0.226CC..EExtended strand (participates in β ladder)trans-80.8-47.5172.7-67.3-179000110.8T124 L126 K136 L163 F175 L195T124-L138 HydrophobicContact CG2-CB 4.24Å; T124-L138 HydrophobicContact CG2-CD1 4.24Å; T124-L138 PolarHBondContact O-N 3.36Å; L126-L138 HydrophobicContact CB-CD1 3.93Å; L126-L138 HydrophobicContact CB-CD2 4.03Å; L126-L138 HydrophobicContact CB-CG 3.84Å; L126-L138 HydrophobicContact CD2-CD2 4.25Å; K136-L138 PolarHBondContact O-N 2.85Å; L138-L163 HydrophobicContact CD1-CD2 3.5Å; L138-F175 HydrophobicContact CD2-CD1 4.48Å; L138-L195 HydrophobicContact CD2-CD1 3.51Å
139K85.6Confident79.8Confident33 Ų3339.6 Ų39.614%0.14323%0.225CC..EExtended strand (participates in β ladder)trans-148.5148.2178.1-73.2-157.2178.4-168.10111.6T124 V141 I145 L165 Y171 E173T124-K139 PolarHBondContact N-O 2.84Å; T124-K139 PolarHBondContact O-N 2.95Å; K139-V141 HydrophobicContact CB-CG1 4.48Å; K139-V141 HydrophobicContact CD-CG1 4.47Å; K139-I145 HydrophobicContact CB-CD1 3.62Å; K139-I145 HydrophobicContact CD-CD1 3.83Å; K139-I145 HydrophobicContact CG-CD1 4.26Å; K139-L165 HydrophobicContact CD-CD1 4.14Å; K139-L165 HydrophobicContact CD-CD2 4.1Å; K139-L165 HydrophobicContact CG-CD1 4.17Å; K139-Y171 PolarHBondContact NZ-OH 2.95Å; K139-E173 WeakPolarHBondContact CE-OE2 3.42Å; K139-E173 IonicContact NZ-OE1 2.84Å; K139-E173 IonicContact NZ-OE2 2.61Å; K139-E173 PolarHBondContact NZ-OE2 3.42Å
140A85.3Confident80.2Confident47 Ų4740.2 Ų40.239%0.38823%0.228SC..EExtended strand (participates in β ladder)trans-132.7102.8169.600000107.1S120 C122 L123 V137S120-A140 WeakPolarHBondContact OG-CB 3.11Å; S120-A140 PolarHBondContact OG-O 2.92Å; C122-A140 WeakPolarHBondContact O-CA 3.34Å; L123-A140 HydrophobicContact CD1-CB 3.98Å; V137-A140 HydrophobicContact CG1-CB 4.39Å
141V83.3Confident80.9Confident28 Ų2836.5 Ų36.517%0.1721%0.211CC..EExtended strand (participates in β ladder)trans-135.3169.5-172.6-64.60000110.6K121 C122 K139 S143 I145K121-V141 PolarHBondContact N-O 3.42Å; K121-V141 VanDerWaalsContact N-O 3.17Å; C122-V141 WeakPolarHBondContact CA-O 3.45Å; C122-V141 HydrophobicContact CB-CG2 4.42Å; C122-V141 PolarHBondContact N-O 2.83Å; C122-V141 PolarHBondContact O-N 2.95Å; C122-V141 VanDerWaalsContact O-O 3.1Å; K139-V141 HydrophobicContact CB-CG1 4.48Å; K139-V141 HydrophobicContact CD-CG1 4.47Å; V141-S143 WeakPolarHBondContact CG2-O 3.25Å; V141-I145 HydrophobicContact CG2-CD1 3.37Å; V141-I145 HydrophobicContact CG2-CG1 3.84Å
142D79.3Confident81.7Confident97 Ų9737.3 Ų37.352%0.51922%0.216SC..SBendtrans-88.4-9.1179.5-70-27.4000113.9K121K121-D142 HydrophobicContact CD-CB 4.25Å; K121-D142 HydrophobicContact CG-CB 4.44Å; K121-D142 PolarHBondContact N-OD1 3.45Å
143S79.1Confident81.5Confident9 Ų939.7 Ų39.76%0.06322%0.22CC..SBendtrans-101.7154.4-178.545.70000112.4C122 V141 E169C122-S143 WeakPolarHBondContact CB-O 3.41Å; V141-S143 WeakPolarHBondContact CG2-O 3.25Å; S143-E169 WeakPolarHBondContact CB-OE1 3.3Å; S143-E169 WeakPolarHBondContact OG-CG 3.38Å; S143-E169 PolarHBondContact OG-OE1 2.92Å
144C81.3Confident81.3Confident6 Ų637 Ų374%0.04121%0.214CC..  trans-70.6142.2176.3-62.10000111.2W146 E168C144-W146 HydrophobicContact CB-CH2 3.73Å; C144-W146 HydrophobicContact CB-CZ2 4.15Å; C144-W146 HydrophobicContact CB-CZ3 4.04Å; C144-W146 WeakPolarHBondContact O-CZ3 3.18Å; C144-E168 PolarHBondContact N-OE2 3.16Å; C144-E168 PolarHBondContact O-N 2.82Å
145I85.5Confident80.3Confident0 Ų044.3 Ų44.30%024%0.243CC..EExtended strand (participates in β ladder)trans-122131.9176.8-67.8175.2000110S103 T124 K139 V141 V147 L165 I166S103-I145 WeakPolarHBondContact CB-O 3.4Å; S103-I145 PolarHBondContact OG-O 2.84Å; T124-I145 HydrophobicContact CG2-CG2 4.2Å; T124-I145 WeakPolarHBondContact OG1-CB 3.5Å; T124-I145 WeakPolarHBondContact OG1-CD1 3.2Å; T124-I145 WeakPolarHBondContact OG1-CG2 3.21Å; K139-I145 HydrophobicContact CB-CD1 3.62Å; K139-I145 HydrophobicContact CD-CD1 3.83Å; K139-I145 HydrophobicContact CG-CD1 4.26Å; V141-I145 HydrophobicContact CG2-CD1 3.37Å; V141-I145 HydrophobicContact CG2-CG1 3.84Å; I145-V147 HydrophobicContact CG2-CG1 4.18Å; I145-L165 HydrophobicContact CD1-CD2 4.24Å; I145-L165 HydrophobicContact CG1-CD2 4.39Å; I145-L165 HydrophobicContact CG2-CD1 3.87Å; I145-L165 HydrophobicContact CG2-CD2 3.65Å; I145-L165 HydrophobicContact CG2-CG 3.44Å; I145-L165 VanDerWaalsContact CG2-CG 3.44Å; I145-I166 CarbonylContact C-O 3.59Å; I145-I166 VanDerWaalsContact CA-O 3.31Å; I145-I166 WeakPolarHBondContact CA-O 2.98Å
146W88.4Confident78.8Confident18 Ų1843.2 Ų43.27%0.06824%0.239CC..EExtended strand (participates in β ladder)trans-103.8146170.2-61-96.5000111.1S90 C144 L165 I166 E168 F258 F261S90-W146 WeakPolarHBondContact OG-CA 3.32Å; C144-W146 HydrophobicContact CB-CH2 3.73Å; C144-W146 HydrophobicContact CB-CZ2 4.15Å; C144-W146 HydrophobicContact CB-CZ3 4.04Å; C144-W146 WeakPolarHBondContact O-CZ3 3.18Å; W146-L165 WeakPolarHBondContact O-CA 3.15Å; W146-I166 HydrophobicContact CB-CB 4.38Å; W146-I166 PolarHBondContact N-O 3.19Å; W146-I166 PolarHBondContact O-N 3.38Å; W146-E168 HydrophobicContact CH2-CB 4.22Å; W146-E168 HydrophobicContact CZ3-CB 3.92Å; W146-F258 HydrophobicContact CD2-CD2 4.34Å; W146-F258 AromaticContact CE3-CD2 3.86Å; W146-F258 HydrophobicContact CE3-CD2 3.86Å; W146-F258 AromaticContact CE3-CE2 3.78Å; W146-F258 HydrophobicContact CE3-CE2 3.78Å; W146-F258 HydrophobicContact CE3-CZ 4.42Å; W146-F258 AromaticContact CH2-CD2 3.59Å; W146-F258 HydrophobicContact CH2-CD2 3.59Å; W146-F258 AromaticContact CH2-CE2 3.72Å; W146-F258 HydrophobicContact CH2-CE2 3.72Å; W146-F258 HydrophobicContact CZ2-CD2 4.07Å; W146-F258 AromaticContact CZ3-CD2 3.47Å; W146-F258 HydrophobicContact CZ3-CD2 3.47Å; W146-F258 VanDerWaalsContact CZ3-CD2 3.47Å; W146-F258 AromaticContact CZ3-CE2 3.24Å; W146-F258 HydrophobicContact CZ3-CE2 3.24Å; W146-F258 HydrophobicContact CZ3-CZ 4.16Å; W146-F261 HydrophobicContact CB-CB 4.11Å; W146-F261 HydrophobicContact CG-CB 4.08Å
147V90.3Very high77.4Confident2 Ų247.8 Ų47.81%0.01226%0.26CS..EExtended strand (participates in β ladder)trans-131.3136-174.5-68.10000111S90 S92 A101 T124 I145 L163 L164S90-V147 PolarHBondContact OG-N 2.86Å; S92-V147 WeakPolarHBondContact CB-O 3.33Å; A101-V147 HydrophobicContact CB-CB 4.05Å; A101-V147 HydrophobicContact CB-CG1 4.48Å; A101-V147 HydrophobicContact CB-CG2 3.91Å; T124-V147 HydrophobicContact CG2-CG1 3.62Å; I145-V147 HydrophobicContact CG2-CG1 4.18Å; V147-L163 HydrophobicContact CB-CD1 4.21Å; V147-L164 CarbonylContact C-O 3.59Å; V147-L164 WeakPolarHBondContact CA-O 3.47Å
148Q90.8Very high76.1Confident4 Ų447.6 Ų47.62%0.01925%0.254CS..EExtended strand (participates in β ladder)trans-146.2123.3-179.9-178.256.252.500111.8N46 E48 S92 L164 W209 M211N46-Q148 PolarHBondContact ND2-OE1 2.98Å; E48-Q148 PolarHBondContact OE2-NE2 3.01Å; S92-Q148 PolarHBondContact OG-NE2 2.92Å; Q148-L164 HydrophobicContact CB-CB 4.47Å; Q148-L164 PolarHBondContact N-O 2.92Å; Q148-L164 PolarHBondContact O-N 3.25Å; Q148-W209 HydrophobicContact CG-CZ2 4.08Å; Q148-M211 HydrophobicContact CG-CE 4.33Å; Q148-M211 HydrophobicContact CG-SD 4.35Å; Q148-M211 VanDerWaalsContact OE1-CE 3.31Å; Q148-M211 PolarHBondContact OE1-SD 2.81Å
149F90.6Very high75.3Confident2 Ų250.8 Ų50.81%0.00927%0.271CS..EExtended strand (participates in β ladder)trans-76.6143.2173.1-80.8-77.3000111.8S92 N94 L99 A101 L126 Y151 L163 I177S92-F149 WeakPolarHBondContact O-CD2 3.45Å; S92-F149 VanDerWaalsContact O-CE2 3.29Å; S92-F149 WeakPolarHBondContact O-CE2 3.42Å; S92-F149 PolarHBondContact OG-N 2.75Å; N94-F149 HydrophobicContact CB-CD1 3.93Å; N94-F149 HydrophobicContact CB-CD2 4.36Å; N94-F149 HydrophobicContact CB-CE1 4.14Å; N94-F149 HydrophobicContact CB-CG 4.05Å; N94-F149 HydrophobicContact CB-CZ 4.43Å; L99-F149 HydrophobicContact CB-CE1 4.44Å; L99-F149 HydrophobicContact CB-CZ 3.85Å; A101-F149 HydrophobicContact CB-CD2 4.49Å; A101-F149 HydrophobicContact CB-CE2 3.7Å; A101-F149 HydrophobicContact CB-CZ 4.12Å; L126-F149 HydrophobicContact CD1-CZ 3.94Å; F149-Y151 HydrophobicContact CB-CE2 4.31Å; F149-L163 HydrophobicContact CD1-CB 4.24Å; F149-L163 HydrophobicContact CD1-CD1 3.97Å; F149-L163 HydrophobicContact CD2-CD1 3.89Å; F149-L163 HydrophobicContact CE1-CB 4.12Å; F149-L163 HydrophobicContact CE1-CD1 4.01Å; F149-L163 HydrophobicContact CE2-CD1 3.95Å; F149-L163 HydrophobicContact CG-CD1 3.91Å; F149-L163 HydrophobicContact CZ-CD1 4Å; F149-I177 HydrophobicContact CE1-CD1 4.03Å
150L87.9Confident74.9Confident17 Ų1751.9 Ų51.99%0.08928%0.276CS..EExtended strand (participates in β ladder)trans-91.4127.8169.3-56.8180000109.6H162 L164 W209 F233L150-H162 HydrophobicContact CB-CB 4.07Å; L150-H162 HydrophobicContact CD1-CB 3.79Å; L150-H162 HydrophobicContact CG-CB 4.16Å; L150-H162 PolarHBondContact N-O 3.34Å; L150-L164 HydrophobicContact CD1-CG 4.36Å; L150-L164 HydrophobicContact CD2-CD1 3.71Å; L150-L164 HydrophobicContact CD2-CG 4.05Å; L150-L164 HydrophobicContact CG-CD1 4.4Å; L150-L164 HydrophobicContact CG-CG 4.21Å; L150-W209 HydrophobicContact CD2-CH2 3.43Å; L150-W209 VanDerWaalsContact CD2-CH2 3.43Å; L150-W209 HydrophobicContact CD2-CZ2 3.83Å; L150-F233 HydrophobicContact CD1-CB 4.17Å; L150-F233 HydrophobicContact CD1-CD1 3.51Å; L150-F233 HydrophobicContact CD1-CE1 4.13Å; L150-F233 HydrophobicContact CD1-CG 3.92Å; L150-F233 HydrophobicContact CD2-CB 4.39Å; L150-F233 HydrophobicContact CD2-CG 4.22Å
151Y83.1Confident74.8Confident18 Ų1850 Ų507%0.07126%0.26CS..PPolyproline II helixtrans-94.7125.5-179.8-77.1-130.1000110.2E48 R49 V93 F149 Q214E48-Y151 WeakPolarHBondContact OE2-CE2 3.17Å; R49-Y151 HydrophobicContact CB-CD1 4.31Å; R49-Y151 HydrophobicContact CB-CD2 4.37Å; R49-Y151 HydrophobicContact CB-CG 4.12Å; R49-Y151 PolarHBondContact NH1-O 2.83Å; V93-Y151 WeakPolarHBondContact O-CE2 3.1Å; V93-Y151 PolarHBondContact O-OH 2.68Å; F149-Y151 HydrophobicContact CB-CE2 4.31Å; Y151-Q214 PolarHBondContact O-NE2 2.8Å
152P76Confident75Confident43 Ų4349.2 Ų49.228%0.27925%0.254SS..PPolyproline II helixtrans-66.2158.4171.828.7-33000111.1
153H59.6Low75.5Confident144 Ų14444.6 Ų44.667%0.66723%0.23SC*.SBendtrans-84.1-19.1-178.3-164.664.6000113.5P235H153-P235 HydrophobicContact CB-CB 3.73Å; H153-P235 HydrophobicContact CB-CG 3.74Å
154A56.2Low76Confident55 Ų5544.2 Ų44.246%0.45523%0.227SC..SBendtrans-110.4141.5175.500000110S156A154-S156 VanDerWaalsContact CB-OG 3.29Å; A154-S156 WeakPolarHBondContact CB-OG 3.45Å; A154-S156 PolarHBondContact O-N 2.9Å
155E49.9Very low76.4Confident198 Ų19844 Ų4493%0.92523%0.225SC*.  trans-69.133.4165.6-63.6-177.516800111.7
156S48.6Very low76.5Confident48 Ų4844 Ų4434%0.33623%0.225SC..  trans-70.8131.5166.218.70000107.6A154 H158A154-S156 VanDerWaalsContact CB-OG 3.29Å; A154-S156 WeakPolarHBondContact CB-OG 3.45Å; A154-S156 PolarHBondContact O-N 2.9Å; S156-H158 VanDerWaalsContact CB-NE2 3.31Å; S156-H158 WeakPolarHBondContact CB-NE2 3.37Å; S156-H158 PolarHBondContact O-CD2 2.84Å; S156-H158 VanDerWaalsContact O-CD2 3.25Å; S156-H158 PolarHBondContact O-N 2.65Å; S156-H158 PolarHBondContact OG-CD2 2.82Å; S156-H158 VanDerWaalsContact OG-CD2 3.24Å; S156-H158 PolarHBondContact OG-CE1 2.88Å; S156-H158 PolarHBondContact OG-NE2 2.98Å
157H53.2Low76.4Confident132 Ų13243.1 Ų43.161%0.61122%0.222SC*.  trans-63.175.6174-62.7-46.5000110.3E96 L159 R181E96-H157 IonicContact OE1-ND1 2.95Å; H157-L159 PolarHBondContact O-N 2.88Å; H157-R181 PolarHBondContact ND1-NH1 2.68Å; H157-R181 PolarHBondContact ND1-NH2 2.95Å; H157-R181 VanDerWaalsContact ND1-NH2 3.14Å
158H59Low75.9Confident74 Ų7446.7 Ų46.734%0.34324%0.238SC..  trans-81.4117.5179-70.3-62.5000108.3S156 Q160S156-H158 VanDerWaalsContact CB-NE2 3.31Å; S156-H158 WeakPolarHBondContact CB-NE2 3.37Å; S156-H158 PolarHBondContact O-CD2 2.84Å; S156-H158 VanDerWaalsContact O-CD2 3.25Å; S156-H158 PolarHBondContact O-N 2.65Å; S156-H158 PolarHBondContact OG-CD2 2.82Å; S156-H158 VanDerWaalsContact OG-CD2 3.24Å; S156-H158 PolarHBondContact OG-CE1 2.88Å; S156-H158 PolarHBondContact OG-NE2 2.98Å; H158-Q160 PolarHBondContact O-N 3.07Å
159L67.8Low75.5Confident91 Ų9151.4 Ų51.448%0.47626%0.261SS..SBendtrans-69.35.9172.3-66.1175.2000112.3H157 Q178 I179 R181H157-L159 PolarHBondContact O-N 2.88Å; L159-Q178 CarbonylContact O-C 3.55Å; L159-Q178 VanDerWaalsContact O-CA 3.3Å; L159-Q178 WeakPolarHBondContact O-CA 3.41Å; L159-I179 VanDerWaalsContact CB-O 3.3Å; L159-I179 WeakPolarHBondContact CB-O 3.21Å; L159-I179 WeakPolarHBondContact CD2-O 3.36Å; L159-I179 PolarHBondContact O-N 3.26Å; L159-R181 HydrophobicContact CD2-CG 4.19Å
160Q76.9Confident75.2Confident57 Ų5754.5 Ų54.527%0.26627%0.274SS..EExtended strand (participates in β ladder)trans-126.1124.1-177.4-166.5170.4-39.600110.1H158 H162 I177 Q178 E237H158-Q160 PolarHBondContact O-N 3.07Å; Q160-H162 PolarHBondContact NE2-NE2 2.96Å; Q160-I177 WeakPolarHBondContact CA-O 3.16Å; Q160-Q178 HydrophobicContact CG-CG 4.38Å; Q160-E237 PolarHBondContact NE2-OE2 3.25Å
161N83.3Confident75.2Confident8 Ų855.2 Ų55.24%0.04328%0.276CS..EExtended strand (participates in β ladder)trans-121142.2-177.7-70.6-103.9000108.4N94 L99 I177 I179N94-N161 WeakPolarHBondContact CB-OD1 3.02Å; N94-N161 PolarHBondContact ND2-OD1 3.21Å; L99-N161 HydrophobicContact CD1-CB 4.5Å; N161-I177 HydrophobicContact CB-CB 4.36Å; N161-I177 PolarHBondContact N-O 3.02Å; N161-I177 PolarHBondContact O-N 3.12Å; N161-I179 WeakPolarHBondContact ND2-CD1 3.5Å
162H87.4Confident75.5Confident11 Ų1154.4 Ų54.45%0.05127%0.273CS..EExtended strand (participates in β ladder)trans-116.5130.3-178.5-61.683.8000109.6L150 Q160 R174 F175 N176 E237L150-H162 HydrophobicContact CB-CB 4.07Å; L150-H162 HydrophobicContact CD1-CB 3.79Å; L150-H162 HydrophobicContact CG-CB 4.16Å; L150-H162 PolarHBondContact N-O 3.34Å; Q160-H162 PolarHBondContact NE2-NE2 2.96Å; H162-R174 HydrophobicContact CB-CG 4.43Å; H162-F175 WeakPolarHBondContact CA-O 3.31Å; H162-N176 PolarHBondContact CD2-OD1 3.49Å; H162-E237 VanDerWaalsContact CE1-CG 3.44Å; H162-E237 WeakPolarHBondContact CE1-CG 3.46Å; H162-E237 IonicContact CE1-OE1 3.91Å; H162-E237 IonicContact CE1-OE2 2.67Å; H162-E237 PolarHBondContact CE1-OE2 2.98Å; H162-E237 IonicContact NE2-OE2 3.18Å
163L89.7Confident76.3Confident0 Ų052.6 Ų52.60%026%0.26CS..EExtended strand (participates in β ladder)trans-119.2122.5179.5-179.771.9000109.6A101 L138 V147 F149 R174 F175 I177A101-L163 HydrophobicContact CB-CD1 3.65Å; A101-L163 HydrophobicContact CB-CD2 3.79Å; A101-L163 HydrophobicContact CB-CG 4.39Å; L138-L163 HydrophobicContact CD1-CD2 3.5Å; V147-L163 HydrophobicContact CB-CD1 4.21Å; F149-L163 HydrophobicContact CD1-CB 4.24Å; F149-L163 HydrophobicContact CD1-CD1 3.97Å; F149-L163 HydrophobicContact CD2-CD1 3.89Å; F149-L163 HydrophobicContact CE1-CB 4.12Å; F149-L163 HydrophobicContact CE1-CD1 4.01Å; F149-L163 HydrophobicContact CE2-CD1 3.95Å; F149-L163 HydrophobicContact CG-CD1 3.91Å; F149-L163 HydrophobicContact CZ-CD1 4Å; L163-R174 CarbonylContact O-C 3.54Å; L163-R174 WeakPolarHBondContact O-CA 3.4Å; L163-F175 HydrophobicContact CB-CB 4.29Å; L163-F175 PolarHBondContact N-O 3.15Å; L163-F175 PolarHBondContact O-N 3.21Å; L163-I177 HydrophobicContact CB-CD1 3.9Å; L163-I177 HydrophobicContact CD2-CD1 4.4Å
164L90.7Very high77.8Confident1 Ų146.8 Ų46.81%0.00523%0.232CC..EExtended strand (participates in β ladder)trans-84.4130.7169-66.1179.1000109.7V147 Q148 L150 I166 R174 I200 W209 F233V147-L164 CarbonylContact C-O 3.59Å; V147-L164 WeakPolarHBondContact CA-O 3.47Å; Q148-L164 HydrophobicContact CB-CB 4.47Å; Q148-L164 PolarHBondContact N-O 2.92Å; Q148-L164 PolarHBondContact O-N 3.25Å; L150-L164 HydrophobicContact CD1-CG 4.36Å; L150-L164 HydrophobicContact CD2-CD1 3.71Å; L150-L164 HydrophobicContact CD2-CG 4.05Å; L150-L164 HydrophobicContact CG-CD1 4.4Å; L150-L164 HydrophobicContact CG-CG 4.21Å; L164-I166 HydrophobicContact CB-CD1 4.09Å; L164-R174 HydrophobicContact CD2-CB 4.02Å; L164-R174 HydrophobicContact CD2-CG 4.21Å; L164-I200 HydrophobicContact CD2-CD1 3.41Å; L164-I200 VanDerWaalsContact CD2-CD1 3.41Å; L164-W209 HydrophobicContact CD1-CE3 4.11Å; L164-W209 HydrophobicContact CD1-CH2 3.57Å; L164-W209 HydrophobicContact CD1-CZ2 4.27Å; L164-W209 HydrophobicContact CD1-CZ3 3.47Å; L164-W209 VanDerWaalsContact CD1-CZ3 3.47Å; L164-F233 HydrophobicContact CD1-CE2 3.96Å; L164-F233 HydrophobicContact CD1-CZ 3.98Å; L164-F233 HydrophobicContact CD2-CE1 3.85Å; L164-F233 HydrophobicContact CD2-CZ 3.71Å; L164-F233 HydrophobicContact CG-CZ 4.47Å
165L89.8Confident79.3Confident0 Ų044.8 Ų44.80%021%0.213CC..EExtended strand (participates in β ladder)trans-118.9123.1175.1-171.7151.8000108.4T124 K139 I145 W146 Y171 I172 E173 F175T124-L165 HydrophobicContact CG2-CD1 4.25Å; K139-L165 HydrophobicContact CD-CD1 4.14Å; K139-L165 HydrophobicContact CD-CD2 4.1Å; K139-L165 HydrophobicContact CG-CD1 4.17Å; I145-L165 HydrophobicContact CD1-CD2 4.24Å; I145-L165 HydrophobicContact CG1-CD2 4.39Å; I145-L165 HydrophobicContact CG2-CD1 3.87Å; I145-L165 HydrophobicContact CG2-CD2 3.65Å; I145-L165 HydrophobicContact CG2-CG 3.44Å; I145-L165 VanDerWaalsContact CG2-CG 3.44Å; W146-L165 WeakPolarHBondContact O-CA 3.15Å; L165-Y171 HydrophobicContact CD2-CE2 3.99Å; L165-I172 CarbonylContact O-C 3.58Å; L165-I172 WeakPolarHBondContact O-CA 3.42Å; L165-E173 PolarHBondContact N-O 2.71Å; L165-E173 PolarHBondContact O-N 2.99Å; L165-F175 HydrophobicContact CB-CD2 4.13Å; L165-F175 HydrophobicContact CB-CE2 3.92Å; L165-F175 HydrophobicContact CD1-CE2 3.78Å; L165-F175 HydrophobicContact CD1-CZ 4.44Å; L165-F175 HydrophobicContact CG-CE2 4.39Å
166I88Confident81Confident0 Ų036.4 Ų36.40%018%0.175CC..EExtended strand (participates in β ladder)trans-120.1127.3-176.7-57.992.3000108I145 W146 L164 I172 F204 F258 F261I145-I166 CarbonylContact C-O 3.59Å; I145-I166 VanDerWaalsContact CA-O 3.31Å; I145-I166 WeakPolarHBondContact CA-O 2.98Å; W146-I166 HydrophobicContact CB-CB 4.38Å; W146-I166 PolarHBondContact N-O 3.19Å; W146-I166 PolarHBondContact O-N 3.38Å; L164-I166 HydrophobicContact CB-CD1 4.09Å; I166-I172 HydrophobicContact CB-CG1 4.37Å; I166-I172 HydrophobicContact CG1-CD1 4.33Å; I166-I172 HydrophobicContact CG1-CG1 3.99Å; I166-I172 HydrophobicContact CG1-CG2 4.19Å; I166-I172 HydrophobicContact CG2-CD1 4.45Å; I166-I172 HydrophobicContact CG2-CG1 4.05Å; I166-F204 HydrophobicContact CG2-CZ 4.3Å; I166-F258 HydrophobicContact CG2-CD1 3.85Å; I166-F258 HydrophobicContact CG2-CE1 3.15Å; I166-F258 HydrophobicContact CG2-CE2 4.46Å; I166-F258 HydrophobicContact CG2-CZ 3.53Å; I166-F261 HydrophobicContact CB-CE1 4.43Å; I166-F261 HydrophobicContact CD1-CD1 3.61Å; I166-F261 HydrophobicContact CD1-CE1 3.34Å; I166-F261 HydrophobicContact CD1-CZ 4.39Å; I166-F261 HydrophobicContact CG1-CD1 4.04Å; I166-F261 HydrophobicContact CG1-CE1 3.54Å; I166-F261 HydrophobicContact CG1-CZ 4.15Å
167S85.9Confident82.8Confident0 Ų034.1 Ų34.10%016%0.159CC..EExtended strand (participates in β ladder)trans-110.7144-178.7-178.60000112.5E169 K170 Y171S167-E169 PolarHBondContact O-N 2.85Å; S167-E169 PolarHBondContact OG-N 3.13Å; S167-E169 VanDerWaalsContact OG-N 3.12Å; S167-K170 PolarHBondContact O-N 3.48Å; S167-Y171 VanDerWaalsContact CB-CE1 3.46Å; S167-Y171 PolarHBondContact N-O 2.91Å; S167-Y171 WeakPolarHBondContact OG-CE1 3.36Å; S167-Y171 PolarHBondContact OG-OH 2.84Å
168E80.1Confident84.1Confident78 Ų7831.4 Ų31.436%0.36415%0.147SC..THydrogen-bonded Turntrans-59.8-21.8168.8-167.8179.8-168.900112.2C144 W146 K170C144-E168 PolarHBondContact N-OE2 3.16Å; C144-E168 PolarHBondContact O-N 2.82Å; W146-E168 HydrophobicContact CH2-CB 4.22Å; W146-E168 HydrophobicContact CZ3-CB 3.92Å; E168-K170 PolarHBondContact O-N 3.1Å; E168-K170 VanDerWaalsContact O-N 3.16Å
169E81.5Confident85.1Confident103 Ų10328.1 Ų28.148%0.48113%0.132SC..THydrogen-bonded Turntrans-74.612.8169.9-75166.1-154.900114.1S143 S167 Y171S143-E169 WeakPolarHBondContact CB-OE1 3.3Å; S143-E169 WeakPolarHBondContact OG-CG 3.38Å; S143-E169 PolarHBondContact OG-OE1 2.92Å; S167-E169 PolarHBondContact O-N 2.85Å; S167-E169 PolarHBondContact OG-N 3.13Å; S167-E169 VanDerWaalsContact OG-N 3.12Å; E169-Y171 HydrophobicContact CB-CD1 3.99Å; E169-Y171 HydrophobicContact CB-CE1 3.73Å
170K84.6Confident85.4Confident66 Ų6626 Ų2629%0.28712%0.123SC..THydrogen-bonded Turntrans70.137.3171.1-41170.1-163.5-173.40115.2S167 E168 E202 D203 F204 F256S167-K170 PolarHBondContact O-N 3.48Å; E168-K170 PolarHBondContact O-N 3.1Å; E168-K170 VanDerWaalsContact O-N 3.16Å; K170-E202 CarbonylContact O-C 3.54Å; K170-E202 WeakPolarHBondContact O-CA 3.47Å; K170-D203 PolarHBondContact O-N 2.93Å; K170-F204 HydrophobicContact CB-CD1 4.4Å; K170-F204 HydrophobicContact CB-CE1 4.34Å; K170-F204 VanDerWaalsContact O-CD1 3.3Å; K170-F204 WeakPolarHBondContact O-CD1 3.43Å; K170-F204 VanDerWaalsContact O-CE1 3.29Å; K170-F204 WeakPolarHBondContact O-CE1 3.21Å; K170-F256 HydrophobicContact CD-CD1 3.91Å; K170-F256 HydrophobicContact CD-CE1 3.25Å; K170-F256 HydrophobicContact CD-CE2 4.19Å; K170-F256 HydrophobicContact CD-CZ 3.55Å; K170-F256 HydrophobicContact CG-CD1 3.67Å; K170-F256 HydrophobicContact CG-CE1 3.58Å; K170-F256 HydrophobicContact CG-CG 4.28Å; K170-F256 HydrophobicContact CG-CZ 4.22Å
171Y88.1Confident85.1Confident33 Ų3328.6 Ų28.613%0.12913%0.13CC..EExtended strand (participates in β ladder)trans-129.2150.9168.463.5-99.7000111.7K139 L165 S167 E169 E173 A201K139-Y171 PolarHBondContact NZ-OH 2.95Å; L165-Y171 HydrophobicContact CD2-CE2 3.99Å; S167-Y171 VanDerWaalsContact CB-CE1 3.46Å; S167-Y171 PolarHBondContact N-O 2.91Å; S167-Y171 WeakPolarHBondContact OG-CE1 3.36Å; S167-Y171 PolarHBondContact OG-OH 2.84Å; E169-Y171 HydrophobicContact CB-CD1 3.99Å; E169-Y171 HydrophobicContact CB-CE1 3.73Å; Y171-E173 HydrophobicContact CD2-CG 4.15Å; Y171-A201 CarbonylContact C-O 3.56Å; Y171-A201 VanDerWaalsContact CA-O 3.3Å; Y171-A201 WeakPolarHBondContact CA-O 3.43Å
172I89.9Confident84.2Confident1 Ų133.7 Ų33.71%0.00515%0.153CC..EExtended strand (participates in β ladder)trans-123.9125175.4-61.1174.3000108.3L165 I166 I200 A201 F204 L216L165-I172 CarbonylContact O-C 3.58Å; L165-I172 WeakPolarHBondContact O-CA 3.42Å; I166-I172 HydrophobicContact CB-CG1 4.37Å; I166-I172 HydrophobicContact CG1-CD1 4.33Å; I166-I172 HydrophobicContact CG1-CG1 3.99Å; I166-I172 HydrophobicContact CG1-CG2 4.19Å; I166-I172 HydrophobicContact CG2-CD1 4.45Å; I166-I172 HydrophobicContact CG2-CG1 4.05Å; I172-I200 HydrophobicContact CB-CB 4.29Å; I172-I200 HydrophobicContact CG2-CB 4.01Å; I172-I200 HydrophobicContact CG2-CD1 3.89Å; I172-I200 HydrophobicContact CG2-CG1 4.49Å; I172-I200 HydrophobicContact CG2-CG2 4.42Å; I172-I200 PolarHBondContact O-N 2.84Å; I172-A201 HydrophobicContact CB-CB 4.46Å; I172-A201 PolarHBondContact N-O 3.45Å; I172-A201 PolarHBondContact O-N 2.8Å; I172-F204 HydrophobicContact CD1-CD1 4.41Å; I172-F204 HydrophobicContact CD1-CE1 3.91Å; I172-F204 HydrophobicContact CD1-CZ 4.09Å; I172-F204 HydrophobicContact CG1-CD1 4.41Å; I172-F204 HydrophobicContact CG1-CE1 3.61Å; I172-F204 HydrophobicContact CG1-CZ 3.96Å; I172-L216 HydrophobicContact CD1-CD1 4.03Å; I172-L216 HydrophobicContact CD1-CD2 3.64Å; I172-L216 HydrophobicContact CD1-CG 4.38Å; I172-L216 HydrophobicContact CG2-CD2 4.23Å
173E91.8Very high82.5Confident5 Ų541 Ų412%0.02319%0.193CC..EExtended strand (participates in β ladder)trans-121.4144.8177.6-69.4-179.8145.700110K139 L165 Y171 F175 K197 D198 R199K139-E173 WeakPolarHBondContact CE-OE2 3.42Å; K139-E173 IonicContact NZ-OE1 2.84Å; K139-E173 IonicContact NZ-OE2 2.61Å; K139-E173 PolarHBondContact NZ-OE2 3.42Å; L165-E173 PolarHBondContact N-O 2.71Å; L165-E173 PolarHBondContact O-N 2.99Å; Y171-E173 HydrophobicContact CD2-CG 4.15Å; E173-F175 HydrophobicContact CB-CE2 4.17Å; E173-K197 IonicContact OE1-NZ 3.62Å; E173-K197 PolarHBondContact OE1-NZ 3.43Å; E173-K197 IonicContact OE2-NZ 3.8Å; E173-D198 CarbonylContact C-O 3.59Å; E173-D198 VanDerWaalsContact CA-O 3.32Å; E173-D198 WeakPolarHBondContact CA-O 3.44Å; E173-R199 HydrophobicContact CG-CG 4.17Å
174R90.6Very high80.8Confident21 Ų2144.1 Ų44.18%0.07923%0.225CC..EExtended strand (participates in β ladder)trans-107.4127.2169-177.3-178.673.7160.43.3109.4H162 L163 L164 N176 K197 D198 I200 E237H162-R174 HydrophobicContact CB-CG 4.43Å; L163-R174 CarbonylContact O-C 3.54Å; L163-R174 WeakPolarHBondContact O-CA 3.4Å; L164-R174 HydrophobicContact CD2-CB 4.02Å; L164-R174 HydrophobicContact CD2-CG 4.21Å; R174-N176 PolarHBondContact NE-OD1 2.71Å; R174-K197 CarbonylContact O-C 3.46Å; R174-K197 WeakPolarHBondContact O-CA 3.17Å; R174-D198 HydrophobicContact CB-CB 4.43Å; R174-D198 IonicContact CZ-OD2 3.32Å; R174-D198 PolarHBondContact N-O 2.82Å; R174-D198 IonicContact NE-OD2 3.49Å; R174-D198 PolarHBondContact NE-OD2 3.09Å; R174-D198 IonicContact NH2-OD2 3.63Å; R174-D198 PolarHBondContact NH2-OD2 2.86Å; R174-D198 PolarHBondContact O-N 3.36Å; R174-I200 HydrophobicContact CB-CD1 3.71Å; R174-I200 HydrophobicContact CB-CG1 4.34Å; R174-E237 PolarHBondContact NH1-O 2.8Å
175F88.3Confident79.2Confident13 Ų1351.3 Ų51.36%0.05726%0.263CS..EExtended strand (participates in β ladder)trans-98.4134.2172.1-73.7-98.4000110.2L138 H162 L163 L165 E173 L195 K197L138-F175 HydrophobicContact CD2-CD1 4.48Å; H162-F175 WeakPolarHBondContact CA-O 3.31Å; L163-F175 HydrophobicContact CB-CB 4.29Å; L163-F175 PolarHBondContact N-O 3.15Å; L163-F175 PolarHBondContact O-N 3.21Å; L165-F175 HydrophobicContact CB-CD2 4.13Å; L165-F175 HydrophobicContact CB-CE2 3.92Å; L165-F175 HydrophobicContact CD1-CE2 3.78Å; L165-F175 HydrophobicContact CD1-CZ 4.44Å; L165-F175 HydrophobicContact CG-CE2 4.39Å; E173-F175 HydrophobicContact CB-CE2 4.17Å; F175-L195 HydrophobicContact CD1-CB 3.92Å; F175-L195 HydrophobicContact CD1-CD1 4.41Å; F175-K197 HydrophobicContact CD1-CB 4.16Å; F175-K197 HydrophobicContact CE1-CB 4.11Å; F175-K197 HydrophobicContact CE1-CD 4.3Å; F175-K197 HydrophobicContact CG-CB 4.5Å; F175-K197 HydrophobicContact CZ-CB 4.37Å; F175-K197 HydrophobicContact CZ-CD 4.2Å
176N86.3Confident77.9Confident22 Ų2257.2 Ų57.212%0.11829%0.286CS..EExtended strand (participates in β ladder)trans-101.4113174.9-54-20.8000107.7H162 R174 P196 D198H162-N176 PolarHBondContact CD2-OD1 3.49Å; R174-N176 PolarHBondContact NE-OD1 2.71Å; N176-P196 HydrophobicContact CB-CB 4.28Å; N176-P196 PolarHBondContact N-O 3.13Å; N176-P196 WeakPolarHBondContact O-CD 3.33Å; N176-D198 PolarHBondContact ND2-OD2 3.07Å
177I85.1Confident77Confident0 Ų057.4 Ų57.40%029%0.287CS..EExtended strand (participates in β ladder)trans-110.1111.4-174.1-57.5160.9000108.1L99 L126 F149 Q160 N161 L163 I179 I189 L195L99-I177 HydrophobicContact CD1-CG2 3.71Å; L126-I177 HydrophobicContact CD1-CD1 4.01Å; L126-I177 HydrophobicContact CD2-CD1 3.68Å; L126-I177 HydrophobicContact CD2-CG1 4.12Å; L126-I177 HydrophobicContact CD2-CG2 4.3Å; F149-I177 HydrophobicContact CE1-CD1 4.03Å; Q160-I177 WeakPolarHBondContact CA-O 3.16Å; N161-I177 HydrophobicContact CB-CB 4.36Å; N161-I177 PolarHBondContact N-O 3.02Å; N161-I177 PolarHBondContact O-N 3.12Å; L163-I177 HydrophobicContact CB-CD1 3.9Å; L163-I177 HydrophobicContact CD2-CD1 4.4Å; I177-I179 HydrophobicContact CG2-CG1 4.47Å; I177-I189 HydrophobicContact CG2-CG1 4.08Å; I177-I189 HydrophobicContact CG2-CG2 4.22Å; I177-L195 HydrophobicContact CB-CD2 4.44Å; I177-L195 HydrophobicContact CG1-CD1 4.41Å; I177-L195 HydrophobicContact CG1-CD2 4.14Å; I177-L195 HydrophobicContact CG2-CD2 4.4Å
178Q81.8Confident76.4Confident76 Ų7659 Ų5936%0.35530%0.297SS..EExtended strand (participates in β ladder)trans-90.2131.8173-69.7-177.8-3.900109.6L159 Q160 I189 R190L159-Q178 CarbonylContact O-C 3.55Å; L159-Q178 VanDerWaalsContact O-CA 3.3Å; L159-Q178 WeakPolarHBondContact O-CA 3.41Å; Q160-Q178 HydrophobicContact CG-CG 4.38Å; Q178-I189 CarbonylContact O-C 3.53Å; Q178-I189 WeakPolarHBondContact O-CA 3.28Å; Q178-R190 HydrophobicContact CB-CB 4.02Å; Q178-R190 PolarHBondContact O-N 2.96Å
179I79.4Confident76.3Confident5 Ų555.9 Ų55.93%0.02628%0.283CS..EExtended strand (participates in β ladder)trans-110.8144.4177-54.9-177.7000108.1L99 L159 N161 I177 A187 V188L99-I179 HydrophobicContact CD1-CD1 3.46Å; L99-I179 VanDerWaalsContact CD1-CD1 3.46Å; L99-I179 HydrophobicContact CD1-CG1 3.97Å; L99-I179 HydrophobicContact CD2-CD1 4.46Å; L99-I179 HydrophobicContact CG-CD1 3.77Å; L159-I179 VanDerWaalsContact CB-O 3.3Å; L159-I179 WeakPolarHBondContact CB-O 3.21Å; L159-I179 WeakPolarHBondContact CD2-O 3.36Å; L159-I179 PolarHBondContact O-N 3.26Å; N161-I179 WeakPolarHBondContact ND2-CD1 3.5Å; I177-I179 HydrophobicContact CG2-CG1 4.47Å; I179-A187 HydrophobicContact CG2-CB 3.59Å; I179-V188 CarbonylContact C-O 3.57Å; I179-V188 WeakPolarHBondContact CA-O 3.5Å
180T74.8Confident75.7Confident46 Ų4657.8 Ų57.828%0.28229%0.285SS..EExtended strand (participates in β ladder)trans-114.9136.8165.241.30000109.1V188 R190T180-V188 PolarHBondContact N-O 3.01Å; T180-V188 PolarHBondContact O-N 2.85Å; T180-V188 PolarHBondContact OG1-O 3.23Å; T180-R190 HydrophobicContact CG2-CB 4.2Å; T180-R190 HydrophobicContact CG2-CG 4.19Å
181R70.5Confident74.7Confident112 Ų11260 Ų6042%0.42330%0.3SS..EExtended strand (participates in β ladder)trans-88.2122173.4-69.5-173.7178.5-178.40.6109.5E96 H157 L159 R186E96-R181 IonicContact OE1-NH2 3.81Å; E96-R181 PolarHBondContact OE1-NH2 3.5Å; E96-R181 IonicContact OE2-CZ 3.98Å; E96-R181 IonicContact OE2-NH2 2.83Å; E96-R181 PolarHBondContact OE2-NH2 2.95Å; H157-R181 PolarHBondContact ND1-NH1 2.68Å; H157-R181 PolarHBondContact ND1-NH2 2.95Å; H157-R181 VanDerWaalsContact ND1-NH2 3.14Å; L159-R181 HydrophobicContact CD2-CG 4.19Å; R181-R186 VanDerWaalsContact CA-O 3.31Å; R181-R186 WeakPolarHBondContact CA-O 3.01Å
182E64.8Low73.4Confident114 Ų11462.3 Ų62.353%0.53332%0.321SS..EExtended strand (participates in β ladder)trans-100.3158.9167.9-66.5-172.2170.600109.6G184 R186E182-G184 PolarHBondContact O-N 3.49Å; E182-R186 HydrophobicContact CB-CB 4.31Å; E182-R186 PolarHBondContact N-O 3.27Å
183D51.6Low72Confident166 Ų16666.5 Ų66.589%0.88835%0.35SS*.THydrogen-bonded Turntrans-47.3121.2-171.9-75-37.4000112.8
184G52.8Low70.9Confident65 Ų6573.8 Ų73.867%0.6738%0.384SS*.THydrogen-bonded Turntrans85.174.7176.900000115.6E182 R186E182-G184 PolarHBondContact O-N 3.49Å; G184-R186 VanDerWaalsContact O-CG 3.31Å; G184-R186 WeakPolarHBondContact O-CG 2.97Å; G184-R186 PolarHBondContact O-N 3.15Å
185N56.8Low70.5Confident151 Ų15173.8 Ų73.881%0.80739%0.386SS*.THydrogen-bonded Turntrans49.813.3174.7-82.85.6000116.7
186R63.2Low70.2Confident125 Ų12576.8 Ų76.847%0.47241%0.406SS..EExtended strand (participates in β ladder)trans-83.3121.3-179.8-62.4-168.7176-175.9-3.3109.9P131 R181 E182 G184P131-R186 HydrophobicContact CG-CB 4.48Å; P131-R186 HydrophobicContact CG-CG 4.26Å; R181-R186 VanDerWaalsContact CA-O 3.31Å; R181-R186 WeakPolarHBondContact CA-O 3.01Å; E182-R186 HydrophobicContact CB-CB 4.31Å; E182-R186 PolarHBondContact N-O 3.27Å; G184-R186 VanDerWaalsContact O-CG 3.31Å; G184-R186 WeakPolarHBondContact O-CG 2.97Å; G184-R186 PolarHBondContact O-N 3.15Å
187A68.3Low70.3Confident3 Ų380.6 Ų80.63%0.02542%0.422CS..EExtended strand (participates in β ladder)trans-112.3111.617900000109.8T98 H130 I179T98-A187 HydrophobicContact CG2-CB 3.73Å; H130-A187 PolarHBondContact O-N 2.79Å; H130-A187 VanDerWaalsContact O-N 3.09Å; I179-A187 HydrophobicContact CG2-CB 3.59Å
188V73.6Confident70.4Confident35 Ų3583.2 Ų83.221%0.21244%0.436CS..EExtended strand (participates in β ladder)trans-116.3139-177.7-174.20000110.5I179 T180 R190I179-V188 CarbonylContact C-O 3.57Å; I179-V188 WeakPolarHBondContact CA-O 3.5Å; T180-V188 PolarHBondContact N-O 3.01Å; T180-V188 PolarHBondContact O-N 2.85Å; T180-V188 PolarHBondContact OG1-O 3.23Å; V188-R190 PolarHBondContact O-N 2.93Å
189I78.1Confident70.7Confident12 Ų1287.3 Ų87.36%0.06245%0.448CS..EExtended strand (participates in β ladder)trans-70.9120.8179.2-63.2161.6000110.2L99 L126 E128 I177 Q178 L195L99-I189 HydrophobicContact CD2-CD1 4.13Å; L99-I189 HydrophobicContact CD2-CG1 4.05Å; L126-I189 HydrophobicContact CD2-CD1 3.59Å; L126-I189 HydrophobicContact CG-CD1 4Å; E128-I189 HydrophobicContact CG-CD1 4Å; E128-I189 HydrophobicContact CG-CG1 4.17Å; E128-I189 WeakPolarHBondContact OE1-CB 3.41Å; E128-I189 WeakPolarHBondContact OE1-CG1 3.26Å; E128-I189 PolarHBondContact OE1-N 3.11Å; I177-I189 HydrophobicContact CG2-CG1 4.08Å; I177-I189 HydrophobicContact CG2-CG2 4.22Å; Q178-I189 CarbonylContact O-C 3.53Å; Q178-I189 WeakPolarHBondContact O-CA 3.28Å; I189-L195 HydrophobicContact CG2-CD2 4.11Å
190R69.1Low71.2Confident142 Ų14288.1 Ų88.154%0.53645%0.452SS..SBendtrans-73.8134.5174.1-163.6-179.1-175.9179.61.6110.2Q178 T180 V188Q178-R190 HydrophobicContact CB-CB 4.02Å; Q178-R190 PolarHBondContact O-N 2.96Å; T180-R190 HydrophobicContact CG2-CB 4.2Å; T180-R190 HydrophobicContact CG2-CG 4.19Å; V188-R190 PolarHBondContact O-N 2.93Å
191N63Low71.8Confident113 Ų11386.3 Ų86.360%0.60444%0.442SS*.SBendtrans57.162.7-179.6-66-19.4000113.8S193N191-S193 PolarHBondContact O-N 2.72Å
192S62.6Low72.6Confident81 Ų8184.9 Ų84.957%0.56644%0.44SS*.THydrogen-bonded Turntrans-62.4-7.9-178.262.90000115.7K136K136-S192 WeakPolarHBondContact CE-O 3.36Å; K136-S192 PolarHBondContact NZ-O 2.99Å
193S60.2Low73.6Confident89 Ų8985.1 Ų85.162%0.62245%0.445SS*.THydrogen-bonded Turntrans-80-42.917950.80000113.7N191N191-S193 PolarHBondContact O-N 2.72Å
194H68.6Low75.3Confident159 Ų15977.2 Ų77.274%0.73640%0.403SS*.  trans-139.6109.6-177.6-65-69.9000111
195L81Confident76.8Confident21 Ų2174.8 Ų74.811%0.1138%0.376CS..  trans-82126.4171.5-71.2164.7000108.6L126 K136 L138 F175 I177 I189 K197L126-L195 HydrophobicContact CD2-CD1 4.06Å; K136-L195 HydrophobicContact CD-CD1 4.23Å; L138-L195 HydrophobicContact CD2-CD1 3.51Å; F175-L195 HydrophobicContact CD1-CB 3.92Å; F175-L195 HydrophobicContact CD1-CD1 4.41Å; I177-L195 HydrophobicContact CB-CD2 4.44Å; I177-L195 HydrophobicContact CG1-CD1 4.41Å; I177-L195 HydrophobicContact CG1-CD2 4.14Å; I177-L195 HydrophobicContact CG2-CD2 4.4Å; I189-L195 HydrophobicContact CG2-CD2 4.11Å; L195-K197 PolarHBondContact O-N 2.94Å
196P83.4Confident78.3Confident75 Ų7568.2 Ų68.249%0.48734%0.34SS..  trans-56.2137.6171.2-20.129.7000110.3N176N176-P196 HydrophobicContact CB-CB 4.28Å; N176-P196 PolarHBondContact N-O 3.13Å; N176-P196 WeakPolarHBondContact O-CD 3.33Å
197K87.4Confident79.5Confident103 Ų10362.2 Ų62.245%0.44832%0.318SS..EExtended strand (participates in β ladder)trans-135.6138.4177.966.2176-171.21600112E173 R174 F175 L195E173-K197 IonicContact OE1-NZ 3.62Å; E173-K197 PolarHBondContact OE1-NZ 3.43Å; E173-K197 IonicContact OE2-NZ 3.8Å; R174-K197 CarbonylContact O-C 3.46Å; R174-K197 WeakPolarHBondContact O-CA 3.17Å; F175-K197 HydrophobicContact CD1-CB 4.16Å; F175-K197 HydrophobicContact CE1-CB 4.11Å; F175-K197 HydrophobicContact CE1-CD 4.3Å; F175-K197 HydrophobicContact CG-CB 4.5Å; F175-K197 HydrophobicContact CZ-CB 4.37Å; F175-K197 HydrophobicContact CZ-CD 4.2Å; L195-K197 PolarHBondContact O-N 2.94Å
198D87.3Confident80.6Confident55 Ų5562.7 Ų62.729%0.29432%0.319SS..EExtended strand (participates in β ladder)trans-110.5133.2175.7-56.3-45.3000108.8E173 R174 N176E173-D198 CarbonylContact C-O 3.59Å; E173-D198 VanDerWaalsContact CA-O 3.32Å; E173-D198 WeakPolarHBondContact CA-O 3.44Å; R174-D198 HydrophobicContact CB-CB 4.43Å; R174-D198 IonicContact CZ-OD2 3.32Å; R174-D198 PolarHBondContact N-O 2.82Å; R174-D198 IonicContact NE-OD2 3.49Å; R174-D198 PolarHBondContact NE-OD2 3.09Å; R174-D198 IonicContact NH2-OD2 3.63Å; R174-D198 PolarHBondContact NH2-OD2 2.86Å; R174-D198 PolarHBondContact O-N 3.36Å; N176-D198 PolarHBondContact ND2-OD2 3.07Å
199R89.3Confident81.4Confident162 Ų16261.1 Ų61.161%0.61131%0.309SS*.EExtended strand (participates in β ladder)trans-85.9125.3172.7-75.5176.3169.7-166.88.3109.2E173 E202E173-R199 HydrophobicContact CG-CG 4.17Å; R199-E202 WeakPolarHBondContact CD-OE1 3.31Å; R199-E202 IonicContact CZ-OE1 2.68Å; R199-E202 IonicContact NE-OE1 3.77Å; R199-E202 PolarHBondContact NE-OE1 3.38Å; R199-E202 IonicContact NH1-OE1 3.8Å; R199-E202 PolarHBondContact NH1-OE1 3.22Å; R199-E202 IonicContact NH1-OE2 2.68Å
200I89.2Confident81.9Confident22 Ų2261.2 Ų61.211%0.11331%0.31CS..EExtended strand (participates in β ladder)trans-98.1-50.5-175.6-65.2167.2000110.9L164 I172 R174 L216 I231 F233 F239L164-I200 HydrophobicContact CD2-CD1 3.41Å; L164-I200 VanDerWaalsContact CD2-CD1 3.41Å; I172-I200 HydrophobicContact CB-CB 4.29Å; I172-I200 HydrophobicContact CG2-CB 4.01Å; I172-I200 HydrophobicContact CG2-CD1 3.89Å; I172-I200 HydrophobicContact CG2-CG1 4.49Å; I172-I200 HydrophobicContact CG2-CG2 4.42Å; I172-I200 PolarHBondContact O-N 2.84Å; R174-I200 HydrophobicContact CB-CD1 3.71Å; R174-I200 HydrophobicContact CB-CG1 4.34Å; I200-L216 HydrophobicContact CG2-CD2 4.16Å; I200-I231 HydrophobicContact CG2-CD1 3.29Å; I200-F233 HydrophobicContact CD1-CE1 4Å; I200-F233 HydrophobicContact CD1-CZ 3.79Å; I200-F239 HydrophobicContact CG1-CZ 4.49Å
201A87.1Confident82.7Confident8 Ų855 Ų557%0.06629%0.287CS..EExtended strand (participates in β ladder)trans-148.6147.8-177.700000110.5Y171 I172 F204 Y218Y171-A201 CarbonylContact C-O 3.56Å; Y171-A201 VanDerWaalsContact CA-O 3.3Å; Y171-A201 WeakPolarHBondContact CA-O 3.43Å; I172-A201 HydrophobicContact CB-CB 4.46Å; I172-A201 PolarHBondContact N-O 3.45Å; I172-A201 PolarHBondContact O-N 2.8Å; A201-F204 HydrophobicContact CB-CD1 4.34Å; A201-Y218 HydrophobicContact CB-CD2 4.13Å; A201-Y218 HydrophobicContact CB-CE1 4.39Å; A201-Y218 HydrophobicContact CB-CE2 3.8Å
202E87.9Confident83.6Confident82 Ų8252 Ų5238%0.38328%0.275SS..EExtended strand (participates in β ladder)trans-134.5158175.1-65.1-174.5166.300109K170 R199 F204K170-E202 CarbonylContact O-C 3.54Å; K170-E202 WeakPolarHBondContact O-CA 3.47Å; R199-E202 WeakPolarHBondContact CD-OE1 3.31Å; R199-E202 IonicContact CZ-OE1 2.68Å; R199-E202 IonicContact NE-OE1 3.77Å; R199-E202 PolarHBondContact NE-OE1 3.38Å; R199-E202 IonicContact NH1-OE1 3.8Å; R199-E202 PolarHBondContact NH1-OE1 3.22Å; R199-E202 IonicContact NH1-OE2 2.68Å; E202-F204 PolarHBondContact O-N 2.88Å
203D85.3Confident84.7Confident118 Ų11852.4 Ų52.463%0.63127%0.268SS*.SBendtrans53.926.6174.9-66-35.9000116.2K170K170-D203 PolarHBondContact O-N 2.93Å
204F87Confident86Confident1 Ų148.7 Ų48.70%0.00424%0.241CC..EExtended strand (participates in β ladder)trans-78.3146.7177.667.6-91.7000112.6I166 K170 I172 A201 E202 A207 Y218 I219 F256 F258I166-F204 HydrophobicContact CG2-CZ 4.3Å; K170-F204 HydrophobicContact CB-CD1 4.4Å; K170-F204 HydrophobicContact CB-CE1 4.34Å; K170-F204 VanDerWaalsContact O-CD1 3.3Å; K170-F204 WeakPolarHBondContact O-CD1 3.43Å; K170-F204 VanDerWaalsContact O-CE1 3.29Å; K170-F204 WeakPolarHBondContact O-CE1 3.21Å; I172-F204 HydrophobicContact CD1-CD1 4.41Å; I172-F204 HydrophobicContact CD1-CE1 3.91Å; I172-F204 HydrophobicContact CD1-CZ 4.09Å; I172-F204 HydrophobicContact CG1-CD1 4.41Å; I172-F204 HydrophobicContact CG1-CE1 3.61Å; I172-F204 HydrophobicContact CG1-CZ 3.96Å; A201-F204 HydrophobicContact CB-CD1 4.34Å; E202-F204 PolarHBondContact O-N 2.88Å; F204-A207 HydrophobicContact CD2-CB 4.16Å; F204-A207 HydrophobicContact CE2-CB 3.94Å; F204-Y218 HydrophobicContact CB-CD2 3.95Å; F204-I219 CarbonylContact C-O 3.58Å; F204-I219 WeakPolarHBondContact CA-O 3.32Å; F204-I219 WeakPolarHBondContact CB-O 3.37Å; F204-F256 WeakPolarHBondContact O-CD1 3.22Å; F204-F256 WeakPolarHBondContact O-CE1 3.21Å; F204-F258 AromaticContact CE2-CE1 3.45Å; F204-F258 HydrophobicContact CE2-CE1 3.45Å; F204-F258 VanDerWaalsContact CE2-CE1 3.45Å; F204-F258 AromaticContact CE2-CZ 3.77Å; F204-F258 HydrophobicContact CE2-CZ 3.77Å; F204-F258 AromaticContact CZ-CE1 3.65Å; F204-F258 HydrophobicContact CZ-CE1 3.65Å; F204-F258 AromaticContact CZ-CZ 3.79Å; F204-F258 HydrophobicContact CZ-CZ 3.79Å
205A84.4Confident87.1Confident13 Ų1341.5 Ų41.511%0.10721%0.207CC..EExtended strand (participates in β ladder)trans-84.8-30.1179.500000115.2I219 L221 L251 F256A205-I219 PolarHBondContact N-O 3.35Å; A205-L221 HydrophobicContact CB-CD1 3.84Å; A205-L221 HydrophobicContact CB-CG 3.88Å; A205-L251 HydrophobicContact CB-CD1 3.85Å; A205-F256 VanDerWaalsContact CA-CE1 3.4Å; A205-F256 HydrophobicContact CB-CE1 4.37Å; A205-F256 WeakPolarHBondContact O-CD1 3.33Å
206W88.1Confident87.7Confident13 Ų1340.5 Ų40.55%0.04920%0.202CC..EExtended strand (participates in β ladder)trans-156.7148.7-173.417492.3000109.8Q208 Y218 I219 L228 V259 L278 V280W206-Q208 HydrophobicContact CH2-CB 3.18Å; W206-Q208 HydrophobicContact CH2-CG 4.28Å; W206-Q208 HydrophobicContact CZ2-CB 3.46Å; W206-Q208 VanDerWaalsContact CZ2-CB 3.46Å; W206-Q208 HydrophobicContact CZ2-CG 4.45Å; W206-Q208 HydrophobicContact CZ3-CB 3.93Å; W206-Y218 CarbonylContact O-C 3.56Å; W206-Y218 WeakPolarHBondContact O-CA 3.44Å; W206-Y218 WeakPolarHBondContact O-CB 3.37Å; W206-I219 HydrophobicContact CB-CB 4.41Å; W206-I219 HydrophobicContact CE3-CD1 4.1Å; W206-I219 HydrophobicContact CE3-CG1 3.94Å; W206-I219 PolarHBondContact O-N 2.94Å; W206-L228 HydrophobicContact CZ3-CD1 4.31Å; W206-V259 HydrophobicContact CZ2-CG2 4.12Å; W206-L278 HydrophobicContact CD2-CD2 3.51Å; W206-L278 HydrophobicContact CD2-CG 4.39Å; W206-L278 HydrophobicContact CE3-CD2 3.92Å; W206-L278 HydrophobicContact CG-CD2 3.8Å; W206-L278 HydrophobicContact CH2-CD2 4.35Å; W206-L278 HydrophobicContact CZ2-CB 4.41Å; W206-L278 HydrophobicContact CZ2-CD2 4Å; W206-L278 HydrophobicContact CZ2-CG 4.03Å; W206-L278 WeakPolarHBondContact CZ2-O 3.48Å; W206-L278 HydrophobicContact CZ3-CD2 4.33Å; W206-V280 HydrophobicContact CH2-CG2 3.7Å; W206-V280 HydrophobicContact CZ3-CG2 4.19Å
207A89.3Confident88.1Confident0 Ų037 Ų370%018%0.179CC..EExtended strand (participates in β ladder)trans-145.5145.8171.900000112.8F204 L216 Y217 F258 V259 F261F204-A207 HydrophobicContact CD2-CB 4.16Å; F204-A207 HydrophobicContact CE2-CB 3.94Å; A207-L216 HydrophobicContact CB-CD1 4.39Å; A207-Y217 CarbonylContact C-O 3.55Å; A207-Y217 VanDerWaalsContact CA-O 3.23Å; A207-Y217 WeakPolarHBondContact CA-O 3.37Å; A207-F258 HydrophobicContact CB-CD1 4.01Å; A207-F258 HydrophobicContact CB-CE1 4.06Å; A207-F258 WeakPolarHBondContact O-CA 3.32Å; A207-V259 PolarHBondContact O-N 3.18Å; A207-F261 HydrophobicContact CB-CE2 4.02Å; A207-F261 HydrophobicContact CB-CZ 4.31Å
208Q90.4Very high88.4Confident12 Ų1232.5 Ų32.56%0.05616%0.159CC..EExtended strand (participates in β ladder)trans-130.2138.4171.4176.9179.6-34.900111W206 Y217 V259 V280W206-Q208 HydrophobicContact CH2-CB 3.18Å; W206-Q208 HydrophobicContact CH2-CG 4.28Å; W206-Q208 HydrophobicContact CZ2-CB 3.46Å; W206-Q208 VanDerWaalsContact CZ2-CB 3.46Å; W206-Q208 HydrophobicContact CZ2-CG 4.45Å; W206-Q208 HydrophobicContact CZ3-CB 3.93Å; Q208-Y217 PolarHBondContact N-O 2.83Å; Q208-Y217 PolarHBondContact O-N 2.77Å; Q208-V259 WeakPolarHBondContact CA-O 3.37Å; Q208-V259 HydrophobicContact CB-CB 3.95Å; Q208-V259 HydrophobicContact CG-CB 3.92Å; Q208-V259 HydrophobicContact CG-CG1 3.97Å; Q208-V280 PolarHBondContact NE2-O 3.3Å
209W89.9Confident88.5Confident2 Ų229.9 Ų29.91%0.00815%0.145CC..EExtended strand (participates in β ladder)trans-106.5133.8175.4179.7-113000112.3Q148 L150 L164 M211 Q214 L216 F233 V259 N260 F261Q148-W209 HydrophobicContact CG-CZ2 4.08Å; L150-W209 HydrophobicContact CD2-CH2 3.43Å; L150-W209 VanDerWaalsContact CD2-CH2 3.43Å; L150-W209 HydrophobicContact CD2-CZ2 3.83Å; L164-W209 HydrophobicContact CD1-CE3 4.11Å; L164-W209 HydrophobicContact CD1-CH2 3.57Å; L164-W209 HydrophobicContact CD1-CZ2 4.27Å; L164-W209 HydrophobicContact CD1-CZ3 3.47Å; L164-W209 VanDerWaalsContact CD1-CZ3 3.47Å; W209-M211 HydrophobicContact CG-SD 4.42Å; W209-M211 PolarHBondContact NE1-SD 2.91Å; W209-Q214 HydrophobicContact CH2-CB 3.87Å; W209-Q214 HydrophobicContact CH2-CG 4.29Å; W209-Q214 HydrophobicContact CZ2-CB 4.13Å; W209-Q214 HydrophobicContact CZ2-CG 4.09Å; W209-L216 HydrophobicContact CE3-CB 4.07Å; W209-L216 HydrophobicContact CE3-CD1 4.44Å; W209-L216 HydrophobicContact CZ3-CB 4.13Å; W209-F233 AromaticContact CH2-CD2 3.92Å; W209-F233 HydrophobicContact CH2-CD2 3.92Å; W209-F233 HydrophobicContact CH2-CE2 4.3Å; W209-F233 AromaticContact CZ3-CD2 3.74Å; W209-F233 HydrophobicContact CZ3-CD2 3.74Å; W209-F233 AromaticContact CZ3-CE2 3.74Å; W209-F233 HydrophobicContact CZ3-CE2 3.74Å; W209-V259 PolarHBondContact N-O 2.9Å; W209-N260 VanDerWaalsContact O-CB 3.22Å; W209-N260 WeakPolarHBondContact O-CB 3.49Å; W209-F261 HydrophobicContact CB-CD1 4.02Å; W209-F261 HydrophobicContact CB-CD2 4.19Å; W209-F261 HydrophobicContact CB-CE1 3.6Å; W209-F261 HydrophobicContact CB-CE2 3.83Å; W209-F261 HydrophobicContact CB-CG 4.32Å; W209-F261 HydrophobicContact CB-CZ 3.55Å; W209-F261 HydrophobicContact CG-CE1 4.18Å
210D88.9Confident88.4Confident15 Ų1524.3 Ų24.38%0.0813%0.126CC..EExtended strand (participates in β ladder)trans-104.6102.7170.6-175.6-14.4000109S212 E213 Q214 R215 Y217D210-S212 VanDerWaalsContact C-N 3.34Å; D210-S212 PolarHBondContact O-N 2.66Å; D210-S212 PolarHBondContact OD1-N 3.01Å; D210-S212 VanDerWaalsContact OD1-N 3.11Å; D210-E213 PolarHBondContact OD1-N 2.92Å; D210-Q214 WeakPolarHBondContact O-CA 3.48Å; D210-Q214 PolarHBondContact O-N 2.87Å; D210-R215 HydrophobicContact CB-CB 4.07Å; D210-R215 PolarHBondContact N-O 3.45Å; D210-R215 PolarHBondContact O-N 2.63Å; D210-Y217 HydrophobicContact CB-CE2 4.39Å
211M85.6Confident88.1Confident11 Ų1127.1 Ų27.15%0.05414%0.141CC..THydrogen-bonded Turntrans-62.4-37.7-178.9-61-69.1-4700113I47 R49 Q148 W209I47-M211 WeakPolarHBondContact O-CE 3.17Å; R49-M211 WeakPolarHBondContact CG-O 3.4Å; Q148-M211 HydrophobicContact CG-CE 4.33Å; Q148-M211 HydrophobicContact CG-SD 4.35Å; Q148-M211 VanDerWaalsContact OE1-CE 3.31Å; Q148-M211 PolarHBondContact OE1-SD 2.81Å; W209-M211 HydrophobicContact CG-SD 4.42Å; W209-M211 PolarHBondContact NE1-SD 2.91Å
212S83.1Confident87.7Confident50 Ų5030.5 Ų30.535%0.3516%0.156SC..THydrogen-bonded Turntrans-72.7-47.2-170.7-64.10000111.2R49 D210 P386R49-S212 PolarHBondContact NE-O 2.98Å; R49-S212 VanDerWaalsContact NE-O 3.12Å; D210-S212 VanDerWaalsContact C-N 3.34Å; D210-S212 PolarHBondContact O-N 2.66Å; D210-S212 PolarHBondContact OD1-N 3.01Å; D210-S212 VanDerWaalsContact OD1-N 3.11Å; S212-P386 WeakPolarHBondContact OG-CB 3.3Å
213E85.2Confident86.9Confident89 Ų8936.2 Ų36.242%0.41618%0.179SC..THydrogen-bonded Turntrans-97.8-4.2-176.6-61.6-6813000113.2D210 R215 Q232D210-E213 PolarHBondContact OD1-N 2.92Å; E213-R215 HydrophobicContact CB-CG 4.05Å; E213-R215 IonicContact OE2-CZ 3.17Å; E213-R215 IonicContact OE2-NH1 3.78Å; E213-R215 IonicContact OE2-NH2 2.67Å; E213-R215 PolarHBondContact OE2-NH2 3.07Å; E213-Q232 PolarHBondContact O-NE2 3.34Å
214Q88.6Confident85.9Confident11 Ų1136.7 Ų36.75%0.05119%0.192CC..THydrogen-bonded Turntrans50.759.1-174.5-64.4-177.612.800112.7R49 Y151 W209 D210 Q232 F233R49-Q214 VanDerWaalsContact CD-NE2 3.3Å; Y151-Q214 PolarHBondContact O-NE2 2.8Å; W209-Q214 HydrophobicContact CH2-CB 3.87Å; W209-Q214 HydrophobicContact CH2-CG 4.29Å; W209-Q214 HydrophobicContact CZ2-CB 4.13Å; W209-Q214 HydrophobicContact CZ2-CG 4.09Å; D210-Q214 WeakPolarHBondContact O-CA 3.48Å; D210-Q214 PolarHBondContact O-N 2.87Å; Q214-Q232 PolarHBondContact O-NE2 3.14Å; Q214-F233 HydrophobicContact CB-CB 4.25Å; Q214-F233 WeakPolarHBondContact O-CD2 3.3Å; Q214-F233 PolarHBondContact O-N 2.97Å; Q214-F233 VanDerWaalsContact O-N 3.14Å
215R91.4Very high85.5Confident8 Ų843.3 Ų43.33%0.0322%0.22CC..EExtended strand (participates in β ladder)trans-117136.3178.3-62.6172.9-176.8141.713.8110.2D210 E213 Y217 I231 Q232 W519D210-R215 HydrophobicContact CB-CB 4.07Å; D210-R215 PolarHBondContact N-O 3.45Å; D210-R215 PolarHBondContact O-N 2.63Å; E213-R215 HydrophobicContact CB-CG 4.05Å; E213-R215 IonicContact OE2-CZ 3.17Å; E213-R215 IonicContact OE2-NH1 3.78Å; E213-R215 IonicContact OE2-NH2 2.67Å; E213-R215 PolarHBondContact OE2-NH2 3.07Å; R215-Y217 HydrophobicContact CB-CE2 3.8Å; R215-Y217 WeakPolarHBondContact CD-OH 3.38Å; R215-I231 WeakPolarHBondContact CA-O 3.44Å; R215-Q232 VanDerWaalsContact CG-OE1 3.24Å; R215-W519 HydrophobicContact CG-CZ2 4.39Å
216L92.9Very high85.6Confident1 Ų142.8 Ų42.81%0.00522%0.216CC..EExtended strand (participates in β ladder)trans-108.2118.3173.4175.567.9000109.3I172 I200 A207 W209 Y218 C230 I231 F233 F261I172-L216 HydrophobicContact CD1-CD1 4.03Å; I172-L216 HydrophobicContact CD1-CD2 3.64Å; I172-L216 HydrophobicContact CD1-CG 4.38Å; I172-L216 HydrophobicContact CG2-CD2 4.23Å; I200-L216 HydrophobicContact CG2-CD2 4.16Å; A207-L216 HydrophobicContact CB-CD1 4.39Å; W209-L216 HydrophobicContact CE3-CB 4.07Å; W209-L216 HydrophobicContact CE3-CD1 4.44Å; W209-L216 HydrophobicContact CZ3-CB 4.13Å; L216-Y218 HydrophobicContact CD2-CD1 4.42Å; L216-Y218 HydrophobicContact CG-CD1 4.33Å; L216-C230 WeakPolarHBondContact O-CA 3.29Å; L216-I231 HydrophobicContact CB-CB 4.46Å; L216-I231 PolarHBondContact N-O 2.87Å; L216-I231 PolarHBondContact O-N 2.88Å; L216-F233 HydrophobicContact CB-CE2 3.9Å; L216-F261 HydrophobicContact CD1-CZ 3.74Å
217Y92.9Very high85.7Confident1 Ų142.9 Ų42.90%0.00422%0.218CC..EExtended strand (participates in β ladder)trans-102131.2170-59.4-84.3000108.6A207 Q208 D210 R215 R229 C230 F243 V280 T282 L288A207-Y217 CarbonylContact C-O 3.55Å; A207-Y217 VanDerWaalsContact CA-O 3.23Å; A207-Y217 WeakPolarHBondContact CA-O 3.37Å; Q208-Y217 PolarHBondContact N-O 2.83Å; Q208-Y217 PolarHBondContact O-N 2.77Å; D210-Y217 HydrophobicContact CB-CE2 4.39Å; R215-Y217 HydrophobicContact CB-CE2 3.8Å; R215-Y217 WeakPolarHBondContact CD-OH 3.38Å; Y217-R229 WeakPolarHBondContact CA-O 3.5Å; Y217-C230 HydrophobicContact CD1-CB 3.77Å; Y217-C230 HydrophobicContact CE1-CB 3.77Å; Y217-C230 WeakPolarHBondContact CE1-SG 3.37Å; Y217-F243 HydrophobicContact CD1-CZ 4.41Å; Y217-F243 HydrophobicContact CE1-CE1 4.39Å; Y217-F243 HydrophobicContact CE1-CZ 4.21Å; Y217-V280 HydrophobicContact CD1-CB 4.49Å; Y217-V280 HydrophobicContact CD1-CG1 3.9Å; Y217-V280 HydrophobicContact CD1-CG2 4.48Å; Y217-V280 HydrophobicContact CD2-CB 4.39Å; Y217-V280 HydrophobicContact CD2-CG1 4.26Å; Y217-V280 HydrophobicContact CE1-CG1 3.86Å; Y217-V280 HydrophobicContact CE2-CG1 4.25Å; Y217-V280 HydrophobicContact CG-CB 4.26Å; Y217-V280 HydrophobicContact CG-CG1 4.1Å; Y217-V280 HydrophobicContact CG-CG2 4.31Å; Y217-T282 VanDerWaalsContact OH-CG2 3.26Å; Y217-T282 WeakPolarHBondContact OH-CG2 3.44Å; Y217-L288 HydrophobicContact CE1-CD1 4.44Å
218Y91.7Very high85.8Confident8 Ų842.9 Ų42.93%0.03122%0.218CC..EExtended strand (participates in β ladder)trans-145.6155.6175.668.8-81.7000111.4A201 F204 W206 L216 R229 I231A201-Y218 HydrophobicContact CB-CD2 4.13Å; A201-Y218 HydrophobicContact CB-CE1 4.39Å; A201-Y218 HydrophobicContact CB-CE2 3.8Å; F204-Y218 HydrophobicContact CB-CD2 3.95Å; W206-Y218 CarbonylContact O-C 3.56Å; W206-Y218 WeakPolarHBondContact O-CA 3.44Å; W206-Y218 WeakPolarHBondContact O-CB 3.37Å; L216-Y218 HydrophobicContact CD2-CD1 4.42Å; L216-Y218 HydrophobicContact CG-CD1 4.33Å; Y218-R229 HydrophobicContact CD1-CB 4.09Å; Y218-R229 HydrophobicContact CD2-CB 4.4Å; Y218-R229 HydrophobicContact CE1-CB 3.58Å; Y218-R229 HydrophobicContact CE2-CB 3.96Å; Y218-R229 HydrophobicContact CE2-CG 4.19Å; Y218-R229 HydrophobicContact CG-CB 4.48Å; Y218-R229 PolarHBondContact N-O 3.5Å; Y218-R229 PolarHBondContact O-N 2.97Å; Y218-R229 WeakPolarHBondContact OH-CD 3.1Å; Y218-I231 HydrophobicContact CE1-CD1 3.67Å; Y218-I231 HydrophobicContact CE1-CG1 4.01Å
219I90.3Very high86Confident0 Ų044.1 Ų44.10%022%0.222CC..EExtended strand (participates in β ladder)trans-116125.5179.1-64178.7000109.8F204 A205 W206 V227 L228 L247 I249 L251 L278F204-I219 CarbonylContact C-O 3.58Å; F204-I219 WeakPolarHBondContact CA-O 3.32Å; F204-I219 WeakPolarHBondContact CB-O 3.37Å; A205-I219 PolarHBondContact N-O 3.35Å; W206-I219 HydrophobicContact CB-CB 4.41Å; W206-I219 HydrophobicContact CE3-CD1 4.1Å; W206-I219 HydrophobicContact CE3-CG1 3.94Å; W206-I219 PolarHBondContact O-N 2.94Å; I219-V227 VanDerWaalsContact CA-O 3.31Å; I219-V227 WeakPolarHBondContact CA-O 2.91Å; I219-L228 HydrophobicContact CD1-CD1 4.37Å; I219-L228 HydrophobicContact CG1-CB 4.29Å; I219-L228 HydrophobicContact CG1-CD1 3.77Å; I219-L247 HydrophobicContact CD1-CD1 4.13Å; I219-I249 HydrophobicContact CD1-CD1 3.94Å; I219-L251 HydrophobicContact CB-CD1 4.31Å; I219-L251 HydrophobicContact CD1-CD1 4.29Å; I219-L251 HydrophobicContact CG2-CD1 3.69Å; I219-L278 HydrophobicContact CD1-CD2 3.39Å
220E88Confident86.2Confident45 Ų4544 Ų4421%0.2122%0.222CC..EExtended strand (participates in β ladder)trans-102.9145.8173.2-164.4174.8159.400110.2V227 R229E220-V227 PolarHBondContact N-O 3.23Å; E220-V227 PolarHBondContact O-N 3.24Å; E220-R229 IonicContact OE2-CZ 3.62Å; E220-R229 IonicContact OE2-NE 2.86Å; E220-R229 IonicContact OE2-NH1 2.87Å; E220-R229 PolarHBondContact OE2-NH1 3.06Å; E220-R229 IonicContact OE2-NH2 3.39Å; E220-R229 PolarHBondContact OE2-NH2 2.78Å; E220-R229 VanDerWaalsContact OE2-NH2 3.1Å
221L82.7Confident86.3Confident82 Ų8243.6 Ų43.643%0.42922%0.22SC..EExtended strand (participates in β ladder)trans-100.195.2178.5-70.5171.9000110.1A205 L251A205-L221 HydrophobicContact CB-CD1 3.84Å; A205-L221 HydrophobicContact CB-CG 3.88Å; L221-L251 HydrophobicContact CD2-CB 4.34Å
222E78.8Confident86.6Confident79 Ų7943.5 Ų43.537%0.36922%0.219SC..EExtended strand (participates in β ladder)trans-100.1115.1178.2-72.2-176.1-14900110.9S224 K225 V227 R229E222-S224 PolarHBondContact O-N 3.5Å; E222-K225 PolarHBondContact N-O 3.04Å; E222-K225 PolarHBondContact O-N 3.22Å; E222-V227 HydrophobicContact CB-CG2 4.39Å; E222-R229 IonicContact OE1-CZ 3.83Å; E222-R229 IonicContact OE1-NH2 3.39Å; E222-R229 PolarHBondContact OE1-NH2 3.13Å
223K69.5Low86.9Confident201 Ų20141.4 Ų41.487%0.87420%0.204SC*.THydrogen-bonded Turntrans48.640.8171.6-58176.9-178.4172.30113.5
224S65.3Low86.8Confident128 Ų12840.7 Ų40.790%0.89520%0.197SC*.THydrogen-bonded Turntrans76.89.3-177.2-14.60000116.4E222E222-S224 PolarHBondContact O-N 3.5Å
225K77.9Confident86Confident140 Ų14043.6 Ų43.661%0.60922%0.217SC*.EExtended strand (participates in β ladder)trans-107.8138.2170.8-63.5-174.8177.7-173.70110E222E222-K225 PolarHBondContact N-O 3.04Å; E222-K225 PolarHBondContact O-N 3.22Å
226S87.1Confident85Confident2 Ų248.6 Ų48.61%0.01424%0.244CC..EExtended strand (participates in β ladder)trans-87.5120.5172.340.50000109L247 I249S226-L247 PolarHBondContact O-N 2.87Å; S226-L247 PolarHBondContact OG-O 2.79Å; S226-I249 WeakPolarHBondContact OG-CG1 3.13Å; S226-I249 PolarHBondContact OG-O 2.98Å
227V89.7Confident83.9Confident15 Ų1551.4 Ų51.49%0.09126%0.257CS..EExtended strand (participates in β ladder)trans-111.7114.6-179.4-177.20000109I219 E220 E222 R229 E244I219-V227 VanDerWaalsContact CA-O 3.31Å; I219-V227 WeakPolarHBondContact CA-O 2.91Å; E220-V227 PolarHBondContact N-O 3.23Å; E220-V227 PolarHBondContact O-N 3.24Å; E222-V227 HydrophobicContact CB-CG2 4.39Å; V227-R229 HydrophobicContact CG1-CG 4.27Å; V227-E244 HydrophobicContact CG1-CB 4.18Å
228L92.1Very high83.3Confident0 Ų053.3 Ų53.30%027%0.271CS..EExtended strand (participates in β ladder)trans-77.9126.9173179.268.5000110W206 I219 F243 E244 M245 L247 V280 V290 L309W206-L228 HydrophobicContact CZ3-CD1 4.31Å; I219-L228 HydrophobicContact CD1-CD1 4.37Å; I219-L228 HydrophobicContact CG1-CB 4.29Å; I219-L228 HydrophobicContact CG1-CD1 3.77Å; L228-F243 HydrophobicContact CD2-CE2 4.03Å; L228-F243 HydrophobicContact CD2-CZ 4.34Å; L228-F243 HydrophobicContact CG-CE2 4.11Å; L228-E244 CarbonylContact O-C 3.59Å; L228-E244 WeakPolarHBondContact O-CA 3.28Å; L228-M245 PolarHBondContact N-O 2.84Å; L228-M245 PolarHBondContact O-N 2.83Å; L228-L247 HydrophobicContact CB-CD1 3.78Å; L228-L247 HydrophobicContact CB-CG 4.05Å; L228-L247 HydrophobicContact CD2-CD1 4.27Å; L228-V280 HydrophobicContact CD1-CG2 4.49Å; L228-V290 HydrophobicContact CD2-CG2 3.81Å; L228-L309 HydrophobicContact CD2-CD1 4.04Å
229R93.5Very high83.1Confident39 Ų3956.2 Ų56.215%0.14728%0.284CS..EExtended strand (participates in β ladder)trans-121.4145.7175.8-56.6-158.7177.4153.42.3110Y217 Y218 E220 E222 V227 L241 E244Y217-R229 WeakPolarHBondContact CA-O 3.5Å; Y218-R229 HydrophobicContact CD1-CB 4.09Å; Y218-R229 HydrophobicContact CD2-CB 4.4Å; Y218-R229 HydrophobicContact CE1-CB 3.58Å; Y218-R229 HydrophobicContact CE2-CB 3.96Å; Y218-R229 HydrophobicContact CE2-CG 4.19Å; Y218-R229 HydrophobicContact CG-CB 4.48Å; Y218-R229 PolarHBondContact N-O 3.5Å; Y218-R229 PolarHBondContact O-N 2.97Å; Y218-R229 WeakPolarHBondContact OH-CD 3.1Å; E220-R229 IonicContact OE2-CZ 3.62Å; E220-R229 IonicContact OE2-NE 2.86Å; E220-R229 IonicContact OE2-NH1 2.87Å; E220-R229 PolarHBondContact OE2-NH1 3.06Å; E220-R229 IonicContact OE2-NH2 3.39Å; E220-R229 PolarHBondContact OE2-NH2 2.78Å; E220-R229 VanDerWaalsContact OE2-NH2 3.1Å; E222-R229 IonicContact OE1-CZ 3.83Å; E222-R229 IonicContact OE1-NH2 3.39Å; E222-R229 PolarHBondContact OE1-NH2 3.13Å; V227-R229 HydrophobicContact CG1-CG 4.27Å; R229-L241 HydrophobicContact CB-CD1 4.02Å; R229-E244 HydrophobicContact CG-CG 3.88Å; R229-E244 IonicContact CZ-OE1 3.7Å; R229-E244 IonicContact NE-OE1 3.87Å; R229-E244 PolarHBondContact NE-OE1 3.24Å; R229-E244 VanDerWaalsContact NE-OE1 3.16Å
230C94.1Very high83.1Confident0 Ų058.1 Ų58.10%030%0.296CS..EExtended strand (participates in β ladder)trans-127.3126.9176.5179.50000111.2L216 Y217 M242 F243 W519L216-C230 WeakPolarHBondContact O-CA 3.29Å; Y217-C230 HydrophobicContact CD1-CB 3.77Å; Y217-C230 HydrophobicContact CE1-CB 3.77Å; Y217-C230 WeakPolarHBondContact CE1-SG 3.37Å; C230-M242 PolarHBondContact O-N 2.78Å; C230-F243 HydrophobicContact CB-CD1 3.72Å; C230-F243 HydrophobicContact CB-CD2 4.47Å; C230-F243 HydrophobicContact CB-CE1 3.24Å; C230-F243 HydrophobicContact CB-CE2 4.07Å; C230-F243 HydrophobicContact CB-CG 4.32Å; C230-F243 HydrophobicContact CB-CZ 3.45Å; C230-F243 VanDerWaalsContact CB-CZ 3.45Å; C230-F243 PolarHBondContact N-O 2.86Å; C230-W519 VanDerWaalsContact SG-CH2 3.56Å
231I92.6Very high83.2Confident6 Ų658.3 Ų58.33%0.03130%0.298CS..EExtended strand (participates in β ladder)trans-110.3126.7173.9-64174.5000108.9I200 R215 L216 Y218 F233 F239 T240 L241I200-I231 HydrophobicContact CG2-CD1 3.29Å; R215-I231 WeakPolarHBondContact CA-O 3.44Å; L216-I231 HydrophobicContact CB-CB 4.46Å; L216-I231 PolarHBondContact N-O 2.87Å; L216-I231 PolarHBondContact O-N 2.88Å; Y218-I231 HydrophobicContact CE1-CD1 3.67Å; Y218-I231 HydrophobicContact CE1-CG1 4.01Å; I231-F233 HydrophobicContact CG2-CD2 4.42Å; I231-F233 HydrophobicContact CG2-CE1 4.46Å; I231-F233 HydrophobicContact CG2-CE2 3.93Å; I231-F233 HydrophobicContact CG2-CZ 3.96Å; I231-F239 HydrophobicContact CG2-CB 3.93Å; I231-F239 HydrophobicContact CG2-CD2 3.92Å; I231-F239 HydrophobicContact CG2-CG 4.34Å; I231-T240 WeakPolarHBondContact CA-O 3.44Å; I231-L241 HydrophobicContact CG1-CD1 4.13Å
232Q91.7Very high83.7Confident9 Ų954.4 Ų54.44%0.04228%0.277CS..EExtended strand (participates in β ladder)trans-95128170.1177.567.864.700108.7E213 Q214 R215 W234 F239 T240 M242 W519E213-Q232 PolarHBondContact O-NE2 3.34Å; Q214-Q232 PolarHBondContact O-NE2 3.14Å; R215-Q232 VanDerWaalsContact CG-OE1 3.24Å; Q232-W234 HydrophobicContact CB-CZ2 4.4Å; Q232-W234 HydrophobicContact CG-CD2 3.83Å; Q232-W234 HydrophobicContact CG-CE3 4.16Å; Q232-W234 HydrophobicContact CG-CG 4.4Å; Q232-W234 HydrophobicContact CG-CH2 4.07Å; Q232-W234 HydrophobicContact CG-CZ2 3.71Å; Q232-W234 HydrophobicContact CG-CZ3 4.27Å; Q232-F239 VanDerWaalsContact O-CA 3.27Å; Q232-F239 WeakPolarHBondContact O-CA 3.45Å; Q232-T240 PolarHBondContact N-O 2.96Å; Q232-T240 PolarHBondContact O-N 2.79Å; Q232-M242 HydrophobicContact CB-CG 3.64Å; Q232-M242 HydrophobicContact CB-SD 3.86Å; Q232-W519 HydrophobicContact CB-CZ2 4.34Å
233F89.3Confident84.3Confident6 Ų650.6 Ų50.63%0.02626%0.259CS..EExtended strand (participates in β ladder)trans-92.2127166.8-64.8-87000108.8L150 L164 I200 W209 Q214 L216 I231 F239L150-F233 HydrophobicContact CD1-CB 4.17Å; L150-F233 HydrophobicContact CD1-CD1 3.51Å; L150-F233 HydrophobicContact CD1-CE1 4.13Å; L150-F233 HydrophobicContact CD1-CG 3.92Å; L150-F233 HydrophobicContact CD2-CB 4.39Å; L150-F233 HydrophobicContact CD2-CG 4.22Å; L164-F233 HydrophobicContact CD1-CE2 3.96Å; L164-F233 HydrophobicContact CD1-CZ 3.98Å; L164-F233 HydrophobicContact CD2-CE1 3.85Å; L164-F233 HydrophobicContact CD2-CZ 3.71Å; L164-F233 HydrophobicContact CG-CZ 4.47Å; I200-F233 HydrophobicContact CD1-CE1 4Å; I200-F233 HydrophobicContact CD1-CZ 3.79Å; W209-F233 AromaticContact CH2-CD2 3.92Å; W209-F233 HydrophobicContact CH2-CD2 3.92Å; W209-F233 HydrophobicContact CH2-CE2 4.3Å; W209-F233 AromaticContact CZ3-CD2 3.74Å; W209-F233 HydrophobicContact CZ3-CD2 3.74Å; W209-F233 AromaticContact CZ3-CE2 3.74Å; W209-F233 HydrophobicContact CZ3-CE2 3.74Å; Q214-F233 HydrophobicContact CB-CB 4.25Å; Q214-F233 WeakPolarHBondContact O-CD2 3.3Å; Q214-F233 PolarHBondContact O-N 2.97Å; Q214-F233 VanDerWaalsContact O-N 3.14Å; L216-F233 HydrophobicContact CB-CE2 3.9Å; I231-F233 HydrophobicContact CG2-CD2 4.42Å; I231-F233 HydrophobicContact CG2-CE1 4.46Å; I231-F233 HydrophobicContact CG2-CE2 3.93Å; I231-F233 HydrophobicContact CG2-CZ 3.96Å; F233-F239 HydrophobicContact CD1-CB 3.62Å; F233-F239 HydrophobicContact CD1-CG 4.45Å; F233-F239 HydrophobicContact CE1-CB 3.73Å; F233-F239 HydrophobicContact CE1-CD1 4.46Å; F233-F239 HydrophobicContact CE1-CG 4.13Å; F233-F239 HydrophobicContact CG-CB 4.35Å
234W83.4Confident85.4Confident74 Ų7443.8 Ų43.828%0.2823%0.231SC..PPolyproline II helixtrans-99.2157.4-176-67.9110.7000111.8Q232 D236 E237 S238 T240 M242 W519Q232-W234 HydrophobicContact CB-CZ2 4.4Å; Q232-W234 HydrophobicContact CG-CD2 3.83Å; Q232-W234 HydrophobicContact CG-CE3 4.16Å; Q232-W234 HydrophobicContact CG-CG 4.4Å; Q232-W234 HydrophobicContact CG-CH2 4.07Å; Q232-W234 HydrophobicContact CG-CZ2 3.71Å; Q232-W234 HydrophobicContact CG-CZ3 4.27Å; W234-D236 WeakPolarHBondContact CB-OD1 2.85Å; W234-D236 PolarHBondContact O-N 2.88Å; W234-E237 PolarHBondContact O-N 2.85Å; W234-S238 PolarHBondContact N-O 2.74Å; W234-T240 PolarHBondContact NE1-OG1 2.97Å; W234-M242 HydrophobicContact CZ2-SD 4.36Å; W234-W519 AromaticContact CH2-CD1 3.91Å
235P71.6Confident86.5Confident72 Ų7238 Ų3847%0.46819%0.19SC..THydrogen-bonded Turntrans-62.9-21.4176.4-22.734.4000114.4H153 E237H153-P235 HydrophobicContact CB-CB 3.73Å; H153-P235 HydrophobicContact CB-CG 3.74Å; P235-E237 PolarHBondContact O-N 2.86Å
236D69.4Low87Confident113 Ų11334.5 Ų34.560%0.60418%0.181SC*.THydrogen-bonded Turntrans-83.516.1177.971.5-14.8000113W234 S238W234-D236 WeakPolarHBondContact CB-OD1 2.85Å; W234-D236 PolarHBondContact O-N 2.88Å; D236-S238 PolarHBondContact O-N 2.82Å; D236-S238 VanDerWaalsContact O-N 3.15Å; D236-S238 VanDerWaalsContact OD1-CB 3.3Å; D236-S238 WeakPolarHBondContact OD1-CB 3.27Å; D236-S238 PolarHBondContact OD1-N 2.8Å; D236-S238 VanDerWaalsContact OD1-N 3.1Å; D236-S238 PolarHBondContact OD1-OG 3.05Å; D236-S238 PolarHBondContact OD2-OG 2.86Å
237E70.2Confident86.9Confident60 Ų6034.8 Ų34.828%0.2818%0.182SC..SBendtrans68.54.5179.9-45.9179.8163.700114.3Q160 H162 R174 W234 P235Q160-E237 PolarHBondContact NE2-OE2 3.25Å; H162-E237 VanDerWaalsContact CE1-CG 3.44Å; H162-E237 WeakPolarHBondContact CE1-CG 3.46Å; H162-E237 IonicContact CE1-OE1 3.91Å; H162-E237 IonicContact CE1-OE2 2.67Å; H162-E237 PolarHBondContact CE1-OE2 2.98Å; H162-E237 IonicContact NE2-OE2 3.18Å; R174-E237 PolarHBondContact NH1-O 2.8Å; W234-E237 PolarHBondContact O-N 2.85Å; P235-E237 PolarHBondContact O-N 2.86Å
238S80.4Confident86.5Confident41 Ų4140.3 Ų40.329%0.28721%0.211SC..  trans-83.5157.517276.70000111.3W234 D236W234-S238 PolarHBondContact N-O 2.74Å; D236-S238 PolarHBondContact O-N 2.82Å; D236-S238 VanDerWaalsContact O-N 3.15Å; D236-S238 VanDerWaalsContact OD1-CB 3.3Å; D236-S238 WeakPolarHBondContact OD1-CB 3.27Å; D236-S238 PolarHBondContact OD1-N 2.8Å; D236-S238 VanDerWaalsContact OD1-N 3.1Å; D236-S238 PolarHBondContact OD1-OG 3.05Å; D236-S238 PolarHBondContact OD2-OG 2.86Å
239F86.8Confident86Confident68 Ų6840.9 Ų40.930%0.29822%0.215SC..EExtended strand (participates in β ladder)trans-131.2142.1167.267-89.8000109.4I200 I231 Q232 F233I200-F239 HydrophobicContact CG1-CZ 4.49Å; I231-F239 HydrophobicContact CG2-CB 3.93Å; I231-F239 HydrophobicContact CG2-CD2 3.92Å; I231-F239 HydrophobicContact CG2-CG 4.34Å; Q232-F239 VanDerWaalsContact O-CA 3.27Å; Q232-F239 WeakPolarHBondContact O-CA 3.45Å; F233-F239 HydrophobicContact CD1-CB 3.62Å; F233-F239 HydrophobicContact CD1-CG 4.45Å; F233-F239 HydrophobicContact CE1-CB 3.73Å; F233-F239 HydrophobicContact CE1-CD1 4.46Å; F233-F239 HydrophobicContact CE1-CG 4.13Å; F233-F239 HydrophobicContact CG-CB 4.35Å
240T90.1Very high85.1Confident41 Ų4142.9 Ų42.925%0.25223%0.234SC..EExtended strand (participates in β ladder)trans-132.9135.4-177.356.10000110.6I231 Q232 W234 M242I231-T240 WeakPolarHBondContact CA-O 3.44Å; Q232-T240 PolarHBondContact N-O 2.96Å; Q232-T240 PolarHBondContact O-N 2.79Å; W234-T240 PolarHBondContact NE1-OG1 2.97Å; T240-M242 PolarHBondContact O-N 3.38Å; T240-M242 PolarHBondContact OG1-SD 2.8Å
241L91.7Very high83.9Confident48 Ų4843.7 Ų43.725%0.25124%0.238SC..EExtended strand (participates in β ladder)trans-72.1113.7168.8178.369.7000109R229 I231 E244 K511R229-L241 HydrophobicContact CB-CD1 4.02Å; I231-L241 HydrophobicContact CG1-CD1 4.13Å; L241-E244 HydrophobicContact CD1-CG 4.43Å; L241-E244 HydrophobicContact CD2-CG 4.09Å; L241-E244 VanDerWaalsContact CD2-OE1 3.27Å; L241-E244 WeakPolarHBondContact CD2-OE1 3.45Å; L241-K511 HydrophobicContact CD2-CD 3.59Å; L241-K511 HydrophobicContact CG-CD 4.02Å
242M92.5Very high82.1Confident0 Ų048 Ų480%027%0.27CS..EExtended strand (participates in β ladder)trans-83.7-42.9-172.8-61.9-53-61.300112.4C230 Q232 W234 T240 M510 K511 V512 L515 W519C230-M242 PolarHBondContact O-N 2.78Å; Q232-M242 HydrophobicContact CB-CG 3.64Å; Q232-M242 HydrophobicContact CB-SD 3.86Å; W234-M242 HydrophobicContact CZ2-SD 4.36Å; T240-M242 PolarHBondContact O-N 3.38Å; T240-M242 PolarHBondContact OG1-SD 2.8Å; M242-M510 HydrophobicContact CB-CE 4.38Å; M242-M510 HydrophobicContact CE-CE 3.86Å; M242-K511 PolarHBondContact O-N 3.28Å; M242-V512 HydrophobicContact CE-CB 4.25Å; M242-V512 HydrophobicContact CE-CG2 4.23Å; M242-V512 HydrophobicContact SD-CG2 4.03Å; M242-L515 HydrophobicContact CE-CD2 3.67Å; M242-W519 HydrophobicContact CB-CE3 4.4Å; M242-W519 HydrophobicContact CB-CH2 3.96Å; M242-W519 HydrophobicContact CB-CZ2 4.18Å; M242-W519 HydrophobicContact CB-CZ3 4.07Å; M242-W519 HydrophobicContact CE-CB 4.16Å; M242-W519 HydrophobicContact CE-CD2 3.67Å; M242-W519 HydrophobicContact CE-CE3 4.22Å; M242-W519 HydrophobicContact CE-CG 3.62Å; M242-W519 HydrophobicContact CG-CD2 4.36Å; M242-W519 HydrophobicContact CG-CH2 4.01Å; M242-W519 HydrophobicContact CG-CZ2 3.69Å; M242-W519 HydrophobicContact CG-CZ3 4.44Å
243F92.1Very high80.2Confident0 Ų051.9 Ų51.90%031%0.311CS..EExtended strand (participates in β ladder)trans-156.7163.9179.668.3-101.8000112.2Y217 L228 C230 M245 L288 L508 L509 M510 W519Y217-F243 HydrophobicContact CD1-CZ 4.41Å; Y217-F243 HydrophobicContact CE1-CE1 4.39Å; Y217-F243 HydrophobicContact CE1-CZ 4.21Å; L228-F243 HydrophobicContact CD2-CE2 4.03Å; L228-F243 HydrophobicContact CD2-CZ 4.34Å; L228-F243 HydrophobicContact CG-CE2 4.11Å; C230-F243 HydrophobicContact CB-CD1 3.72Å; C230-F243 HydrophobicContact CB-CD2 4.47Å; C230-F243 HydrophobicContact CB-CE1 3.24Å; C230-F243 HydrophobicContact CB-CE2 4.07Å; C230-F243 HydrophobicContact CB-CG 4.32Å; C230-F243 HydrophobicContact CB-CZ 3.45Å; C230-F243 VanDerWaalsContact CB-CZ 3.45Å; C230-F243 PolarHBondContact N-O 2.86Å; F243-M245 HydrophobicContact CD2-CB 4.42Å; F243-L288 HydrophobicContact CE1-CD2 3.86Å; F243-L288 HydrophobicContact CZ-CD2 3.77Å; F243-L508 HydrophobicContact CB-CD1 4.29Å; F243-L508 HydrophobicContact CB-CD2 3.64Å; F243-L508 HydrophobicContact CB-CG 4.03Å; F243-L508 HydrophobicContact CD1-CD1 4.11Å; F243-L508 HydrophobicContact CD1-CD2 4.17Å; F243-L508 HydrophobicContact CD2-CD1 3.53Å; F243-L508 HydrophobicContact CD2-CD2 4.44Å; F243-L508 HydrophobicContact CD2-CG 4.11Å; F243-L508 HydrophobicContact CE1-CD1 4.29Å; F243-L508 HydrophobicContact CE2-CD1 3.75Å; F243-L508 HydrophobicContact CG-CD1 3.73Å; F243-L508 HydrophobicContact CG-CD2 3.86Å; F243-L508 HydrophobicContact CG-CG 4.03Å; F243-L508 HydrophobicContact CZ-CD1 4.13Å; F243-L509 WeakPolarHBondContact CB-O 3.39Å; F243-M510 HydrophobicContact CB-SD 4.36Å; F243-W519 HydrophobicContact CD1-CH2 4.42Å; F243-W519 HydrophobicContact CD1-CZ3 4.01Å; F243-W519 HydrophobicContact CE1-CH2 4.18Å; F243-W519 HydrophobicContact CE1-CZ3 4.01Å
244E91.1Very high78.5Confident58 Ų5854 Ų5427%0.27132%0.323SS..EExtended strand (participates in β ladder)trans-132.5136.3165.9-61.5-179.9171.200108.8V227 L228 R229 L241 K511V227-E244 HydrophobicContact CG1-CB 4.18Å; L228-E244 CarbonylContact O-C 3.59Å; L228-E244 WeakPolarHBondContact O-CA 3.28Å; R229-E244 HydrophobicContact CG-CG 3.88Å; R229-E244 IonicContact CZ-OE1 3.7Å; R229-E244 IonicContact NE-OE1 3.87Å; R229-E244 PolarHBondContact NE-OE1 3.24Å; R229-E244 VanDerWaalsContact NE-OE1 3.16Å; L241-E244 HydrophobicContact CD1-CG 4.43Å; L241-E244 HydrophobicContact CD2-CG 4.09Å; L241-E244 VanDerWaalsContact CD2-OE1 3.27Å; L241-E244 WeakPolarHBondContact CD2-OE1 3.45Å; E244-K511 HydrophobicContact CG-CD 4.4Å; E244-K511 IonicContact OE1-NZ 2.72Å; E244-K511 PolarHBondContact OE1-NZ 3.15Å; E244-K511 VanDerWaalsContact OE2-CE 3.24Å; E244-K511 WeakPolarHBondContact OE2-CE 3.42Å; E244-K511 IonicContact OE2-NZ 2.72Å; E244-K511 PolarHBondContact OE2-NZ 3.37Å
245M89.2Confident77.3Confident7 Ų757.4 Ų57.43%0.03434%0.335CS..EExtended strand (participates in β ladder)trans-140120.9-179.8-179.165.511200110.3L228 F243 L247 L309 P506 L508L228-M245 PolarHBondContact N-O 2.84Å; L228-M245 PolarHBondContact O-N 2.83Å; F243-M245 HydrophobicContact CD2-CB 4.42Å; M245-L247 HydrophobicContact CG-CD2 4.3Å; M245-L247 PolarHBondContact O-N 3.15Å; M245-L309 HydrophobicContact CE-CD2 4.06Å; M245-L309 HydrophobicContact CG-CD2 4.25Å; M245-P506 WeakPolarHBondContact CE-O 3.32Å; M245-P506 HydrophobicContact SD-CG 4.48Å; M245-L508 HydrophobicContact CB-CD1 4.42Å; M245-L508 HydrophobicContact CE-CB 3.67Å; M245-L508 HydrophobicContact CE-CG 4.43Å
246P88.6Confident76.8Confident66 Ų6657.3 Ų57.343%0.42933%0.328SS..EExtended strand (participates in β ladder)trans-66.8128.2168.728.8-33.3000109.9
247L84.9Confident76.8Confident7 Ų755 Ų554%0.03731%0.312CS..EExtended strand (participates in β ladder)trans-104.3138.5170.9-61.8-179.6000108.4I219 S226 L228 M245 I249 V290 F307 L309I219-L247 HydrophobicContact CD1-CD1 4.13Å; S226-L247 PolarHBondContact O-N 2.87Å; S226-L247 PolarHBondContact OG-O 2.79Å; L228-L247 HydrophobicContact CB-CD1 3.78Å; L228-L247 HydrophobicContact CB-CG 4.05Å; L228-L247 HydrophobicContact CD2-CD1 4.27Å; M245-L247 HydrophobicContact CG-CD2 4.3Å; M245-L247 PolarHBondContact O-N 3.15Å; L247-I249 HydrophobicContact CB-CD1 4.31Å; L247-I249 HydrophobicContact CB-CG1 3.96Å; L247-I249 HydrophobicContact CD1-CD1 4.08Å; L247-I249 PolarHBondContact O-N 3.43Å; L247-I249 VanDerWaalsContact O-N 3.13Å; L247-V290 HydrophobicContact CD1-CG1 4.41Å; L247-F307 HydrophobicContact CD2-CD1 4.02Å; L247-F307 HydrophobicContact CD2-CE1 4.33Å; L247-F307 HydrophobicContact CD2-CG 4.46Å; L247-L309 HydrophobicContact CD2-CD2 4.26Å
248D81.3Confident77Confident131 Ų13152.8 Ų52.870%0.70130%0.302SS*.  trans-88.667.3172.1-164.319.4000109.8R314D248-R314 PolarHBondContact O-NH1 2.78Å; D248-R314 VanDerWaalsContact O-NH1 3.14Å
249I80.9Confident76.7Confident13 Ų1351.5 Ų51.57%0.06729%0.292CS..  trans-125.6136.2176.163.7175.1000110.8I219 S226 L247 L251 L278 Y292 F307I219-I249 HydrophobicContact CD1-CD1 3.94Å; S226-I249 WeakPolarHBondContact OG-CG1 3.13Å; S226-I249 PolarHBondContact OG-O 2.98Å; L247-I249 HydrophobicContact CB-CD1 4.31Å; L247-I249 HydrophobicContact CB-CG1 3.96Å; L247-I249 HydrophobicContact CD1-CD1 4.08Å; L247-I249 PolarHBondContact O-N 3.43Å; L247-I249 VanDerWaalsContact O-N 3.13Å; I249-L251 HydrophobicContact CD1-CD1 4.35Å; I249-L251 HydrophobicContact CD1-CD2 4.19Å; I249-L251 HydrophobicContact CD1-CG 4.28Å; I249-L251 HydrophobicContact CG1-CG 4.35Å; I249-L278 HydrophobicContact CD1-CD1 4.3Å; I249-L278 HydrophobicContact CD1-CD2 4.42Å; I249-Y292 HydrophobicContact CB-CE1 4.37Å; I249-Y292 HydrophobicContact CG2-CD1 3.87Å; I249-Y292 HydrophobicContact CG2-CD2 4.49Å; I249-Y292 HydrophobicContact CG2-CE1 4.08Å; I249-Y292 HydrophobicContact CG2-CG 4.09Å; I249-F307 HydrophobicContact CG2-CE1 4.47Å; I249-F307 HydrophobicContact CG2-CE2 3.87Å; I249-F307 HydrophobicContact CG2-CZ 3.48Å; I249-F307 VanDerWaalsContact CG2-CZ 3.48Å
250S74.3Confident76.2Confident80 Ų8048.7 Ų48.756%0.55928%0.281SS*.  trans-88.3113.7174.4-174.60000110.2S252 Y292S250-S252 PolarHBondContact OG-OG 3.18Å; S250-Y292 PolarHBondContact O-OH 3.13Å
251L70.1Confident75.2Confident17 Ų1747.1 Ų47.19%0.08927%0.27CS..  trans-10414.3172.4-60.7174.9000112.1A205 I219 L221 I249 G253 L254A205-L251 HydrophobicContact CB-CD1 3.85Å; I219-L251 HydrophobicContact CB-CD1 4.31Å; I219-L251 HydrophobicContact CD1-CD1 4.29Å; I219-L251 HydrophobicContact CG2-CD1 3.69Å; L221-L251 HydrophobicContact CD2-CB 4.34Å; I249-L251 HydrophobicContact CD1-CD1 4.35Å; I249-L251 HydrophobicContact CD1-CD2 4.19Å; I249-L251 HydrophobicContact CD1-CG 4.28Å; I249-L251 HydrophobicContact CG1-CG 4.35Å; L251-G253 PolarHBondContact O-N 2.99Å; L251-L254 HydrophobicContact CB-CD1 3.91Å; L251-L254 HydrophobicContact CD2-CD1 3.56Å; L251-L254 HydrophobicContact CG-CD1 4.35Å; L251-L254 WeakPolarHBondContact O-CG 3.37Å
252S54.7Low73.9Confident98 Ų9845.5 Ų45.569%0.68527%0.265SS*.THydrogen-bonded Turntrans-68.4128-175.957.20000111.5S250S250-S252 PolarHBondContact OG-OG 3.18Å
253G51.4Low72.3Confident89 Ų8947.5 Ų47.592%0.91827%0.273SS*.THydrogen-bonded Turntrans85.89.717600000116.4L251L251-G253 PolarHBondContact O-N 2.99Å
254L54Low70.5Confident51 Ų5150.2 Ų50.227%0.26729%0.288SS..PPolyproline II helixtrans-84.4143.7179.8-60.1176.2000112.9L251 P276L251-L254 HydrophobicContact CB-CD1 3.91Å; L251-L254 HydrophobicContact CD2-CD1 3.56Å; L251-L254 HydrophobicContact CG-CD1 4.35Å; L251-L254 WeakPolarHBondContact O-CG 3.37Å; L254-P276 HydrophobicContact CD1-CG 3.35Å; L254-P276 HydrophobicContact CD2-CG 3.45Å; L254-P276 VanDerWaalsContact CD2-CG 3.45Å; L254-P276 HydrophobicContact CG-CG 4.02Å
255R57.4Low68.7Low145 Ų14549.1 Ų49.155%0.54728%0.281SS..PPolyproline II helixtrans-71.4133.5156.3-74.4-177.9171.4-171.2-6.4107.2D268R255-D268 IonicContact NH1-OD1 3.55Å; R255-D268 IonicContact NH1-OD2 2.84Å; R255-D268 PolarHBondContact NH1-OD2 2.95Å
256F62Low66.6Low71 Ų7152 Ų5231%0.31129%0.294SS..PPolyproline II helixtrans-55.4136.8-178.1-69.1-101.4000110.2K170 F204 A205K170-F256 HydrophobicContact CD-CD1 3.91Å; K170-F256 HydrophobicContact CD-CE1 3.25Å; K170-F256 HydrophobicContact CD-CE2 4.19Å; K170-F256 HydrophobicContact CD-CZ 3.55Å; K170-F256 HydrophobicContact CG-CD1 3.67Å; K170-F256 HydrophobicContact CG-CE1 3.58Å; K170-F256 HydrophobicContact CG-CG 4.28Å; K170-F256 HydrophobicContact CG-CZ 4.22Å; F204-F256 WeakPolarHBondContact O-CD1 3.22Å; F204-F256 WeakPolarHBondContact O-CE1 3.21Å; A205-F256 VanDerWaalsContact CA-CE1 3.4Å; A205-F256 HydrophobicContact CB-CE1 4.37Å; A205-F256 WeakPolarHBondContact O-CD1 3.33Å
257K69.4Low64.4Low64 Ų6454.7 Ų54.728%0.27830%0.301SS..EExtended strand (participates in β ladder)trans-125.3135.4-178.5-171.8174.4-178.6177.70111.3
258F74.9Confident62.4Low13 Ų1356.8 Ų56.86%0.05731%0.312CS..EExtended strand (participates in β ladder)trans-105.8142173.3-69.9-68.4000109.8W146 I166 F204 A207 F261W146-F258 HydrophobicContact CD2-CD2 4.34Å; W146-F258 AromaticContact CE3-CD2 3.86Å; W146-F258 HydrophobicContact CE3-CD2 3.86Å; W146-F258 AromaticContact CE3-CE2 3.78Å; W146-F258 HydrophobicContact CE3-CE2 3.78Å; W146-F258 HydrophobicContact CE3-CZ 4.42Å; W146-F258 AromaticContact CH2-CD2 3.59Å; W146-F258 HydrophobicContact CH2-CD2 3.59Å; W146-F258 AromaticContact CH2-CE2 3.72Å; W146-F258 HydrophobicContact CH2-CE2 3.72Å; W146-F258 HydrophobicContact CZ2-CD2 4.07Å; W146-F258 AromaticContact CZ3-CD2 3.47Å; W146-F258 HydrophobicContact CZ3-CD2 3.47Å; W146-F258 VanDerWaalsContact CZ3-CD2 3.47Å; W146-F258 AromaticContact CZ3-CE2 3.24Å; W146-F258 HydrophobicContact CZ3-CE2 3.24Å; W146-F258 HydrophobicContact CZ3-CZ 4.16Å; I166-F258 HydrophobicContact CG2-CD1 3.85Å; I166-F258 HydrophobicContact CG2-CE1 3.15Å; I166-F258 HydrophobicContact CG2-CE2 4.46Å; I166-F258 HydrophobicContact CG2-CZ 3.53Å; F204-F258 AromaticContact CE2-CE1 3.45Å; F204-F258 HydrophobicContact CE2-CE1 3.45Å; F204-F258 VanDerWaalsContact CE2-CE1 3.45Å; F204-F258 AromaticContact CE2-CZ 3.77Å; F204-F258 HydrophobicContact CE2-CZ 3.77Å; F204-F258 AromaticContact CZ-CE1 3.65Å; F204-F258 HydrophobicContact CZ-CE1 3.65Å; F204-F258 AromaticContact CZ-CZ 3.79Å; F204-F258 HydrophobicContact CZ-CZ 3.79Å; A207-F258 HydrophobicContact CB-CD1 4.01Å; A207-F258 HydrophobicContact CB-CE1 4.06Å; A207-F258 WeakPolarHBondContact O-CA 3.32Å; F258-F261 HydrophobicContact CB-CB 4.37Å; F258-F261 HydrophobicContact CB-CD2 3.76Å; F258-F261 HydrophobicContact CB-CE2 4.49Å; F258-F261 HydrophobicContact CB-CG 4.41Å; F258-F261 AromaticContact CD1-CD2 3.88Å; F258-F261 HydrophobicContact CD1-CD2 3.88Å; F258-F261 AromaticContact CD1-CE2 3.91Å; F258-F261 HydrophobicContact CD1-CE2 3.91Å; F258-F261 HydrophobicContact CG-CD2 4.22Å
259V74Confident60.6Low14 Ų1453.9 Ų53.99%0.08530%0.295CS..EExtended strand (participates in β ladder)trans-122.9127.3176.2-176.90000108.7W206 A207 Q208 W209 F261W206-V259 HydrophobicContact CZ2-CG2 4.12Å; A207-V259 PolarHBondContact O-N 3.18Å; Q208-V259 WeakPolarHBondContact CA-O 3.37Å; Q208-V259 HydrophobicContact CB-CB 3.95Å; Q208-V259 HydrophobicContact CG-CB 3.92Å; Q208-V259 HydrophobicContact CG-CG1 3.97Å; W209-V259 PolarHBondContact N-O 2.9Å; V259-F261 WeakPolarHBondContact O-CD2 3.49Å
260N75.1Confident58.8Low10 Ų1062.2 Ų62.25%0.05333%0.333CS..SBendtrans65.633.4178.4-59.6-16.4000115.4W209 Q383 S384W209-N260 VanDerWaalsContact O-CB 3.22Å; W209-N260 WeakPolarHBondContact O-CB 3.49Å; N260-Q383 VanDerWaalsContact CA-NE2 3.31Å; N260-Q383 PolarHBondContact OD1-NE2 3.21Å; N260-S384 PolarHBondContact ND2-O 3.35Å; N260-S384 PolarHBondContact OD1-O 3.3Å; N260-S384 VanDerWaalsContact OD1-O 3.13Å
261F69.5Low57.3Low7 Ų764.8 Ų64.83%0.03134%0.335CS..SBendtrans-104.312.1172-72.8-82.2000113.8W146 I166 A207 W209 L216 F258 V259W146-F261 HydrophobicContact CB-CB 4.11Å; W146-F261 HydrophobicContact CG-CB 4.08Å; I166-F261 HydrophobicContact CB-CE1 4.43Å; I166-F261 HydrophobicContact CD1-CD1 3.61Å; I166-F261 HydrophobicContact CD1-CE1 3.34Å; I166-F261 HydrophobicContact CD1-CZ 4.39Å; I166-F261 HydrophobicContact CG1-CD1 4.04Å; I166-F261 HydrophobicContact CG1-CE1 3.54Å; I166-F261 HydrophobicContact CG1-CZ 4.15Å; A207-F261 HydrophobicContact CB-CE2 4.02Å; A207-F261 HydrophobicContact CB-CZ 4.31Å; W209-F261 HydrophobicContact CB-CD1 4.02Å; W209-F261 HydrophobicContact CB-CD2 4.19Å; W209-F261 HydrophobicContact CB-CE1 3.6Å; W209-F261 HydrophobicContact CB-CE2 3.83Å; W209-F261 HydrophobicContact CB-CG 4.32Å; W209-F261 HydrophobicContact CB-CZ 3.55Å; W209-F261 HydrophobicContact CG-CE1 4.18Å; L216-F261 HydrophobicContact CD1-CZ 3.74Å; F258-F261 HydrophobicContact CB-CB 4.37Å; F258-F261 HydrophobicContact CB-CD2 3.76Å; F258-F261 HydrophobicContact CB-CE2 4.49Å; F258-F261 HydrophobicContact CB-CG 4.41Å; F258-F261 AromaticContact CD1-CD2 3.88Å; F258-F261 HydrophobicContact CD1-CD2 3.88Å; F258-F261 AromaticContact CD1-CE2 3.91Å; F258-F261 HydrophobicContact CD1-CE2 3.91Å; F258-F261 HydrophobicContact CG-CD2 4.22Å; V259-F261 WeakPolarHBondContact O-CD2 3.49Å
262G64.1Low56.1Low15 Ų1566.6 Ų66.616%0.15534%0.344CS..SBendtrans102.5-158.8-175.900000113.4L45 D264L45-G262 WeakPolarHBondContact O-CA 3.23Å; G262-D264 PolarHBondContact O-N 3.4Å
263Y58.8Low55.6Low42 Ų4264.2 Ų64.217%0.16533%0.327CS..  trans-55.5122.3-169.3-177.2-100.6000114.4L45 H266L45-Y263 PolarHBondContact O-N 3.49Å; Y263-H266 AromaticContact CE2-CD2 3.28Å; Y263-H266 WeakPolarHBondContact CE2-CD2 3.29Å; Y263-H266 AromaticContact CE2-NE2 3.48Å; Y263-H266 WeakPolarHBondContact CE2-NE2 3.3Å; Y263-H266 AromaticContact CZ-CD2 3.23Å; Y263-H266 AromaticContact CZ-NE2 3.93Å; Y263-H266 PolarHBondContact OH-CD2 2.78Å
264D54.6Low55.6Low57 Ų5763.7 Ų63.731%0.30530%0.303SS..  trans-90.5133.8171.8-99.9-22.9000110.7G262 H266G262-D264 PolarHBondContact O-N 3.4Å; D264-H266 PolarHBondContact O-N 3.29Å
265Y53.3Low56Low35 Ų3563 Ų6314%0.13730%0.298CS..  trans-54.3114.4-172.8-116.5-110.4000113.6V89 Y107 R113 Q267V89-Y265 HydrophobicContact CG2-CE2 4.44Å; Y107-Y265 WeakPolarHBondContact OH-CE1 3.22Å; Y107-Y265 PolarHBondContact OH-OH 3.15Å; R113-Y265 PolarHBondContact NH2-OH 3.29Å; Y265-Q267 VanDerWaalsContact C-N 3.33Å; Y265-Q267 PolarHBondContact O-N 2.88Å
266H46.1Very low56.6Low66 Ų6656.8 Ų56.831%0.30628%0.277SS..G310 helixtrans-66.6-24.7179.8-86.7-115.5000115.1Y263 D264 D268 C393Y263-H266 AromaticContact CE2-CD2 3.28Å; Y263-H266 WeakPolarHBondContact CE2-CD2 3.29Å; Y263-H266 AromaticContact CE2-NE2 3.48Å; Y263-H266 WeakPolarHBondContact CE2-NE2 3.3Å; Y263-H266 AromaticContact CZ-CD2 3.23Å; Y263-H266 AromaticContact CZ-NE2 3.93Å; Y263-H266 PolarHBondContact OH-CD2 2.78Å; D264-H266 PolarHBondContact O-N 3.29Å; H266-D268 PolarHBondContact O-N 3.17Å; H266-C393 PolarHBondContact CE1-O 3.31Å; H266-C393 PolarHBondContact NE2-O 3.42Å
267Q41Very low57.4Low124 Ų12454.2 Ų54.258%0.57927%0.267SS*.G310 helixtrans-80.8-9.9-174-88.2178.6-19.900115.1G111 Y265G111-Q267 PolarHBondContact O-NE2 2.64Å; G111-Q267 PolarHBondContact O-OE1 3.47Å; Y265-Q267 VanDerWaalsContact C-N 3.33Å; Y265-Q267 PolarHBondContact O-N 2.88Å
268D43.6Very low58.2Low50 Ų5051.5 Ų51.527%0.26726%0.256SS..G310 helixtrans-106.113.8177-99.4-17.1000112.4R255 H266 E270 K271 L272R255-D268 IonicContact NH1-OD1 3.55Å; R255-D268 IonicContact NH1-OD2 2.84Å; R255-D268 PolarHBondContact NH1-OD2 2.95Å; H266-D268 PolarHBondContact O-N 3.17Å; D268-E270 VanDerWaalsContact C-N 3.28Å; D268-E270 PolarHBondContact O-N 2.8Å; D268-K271 CarbonylContact O-C 3.54Å; D268-K271 WeakPolarHBondContact O-CA 3.46Å; D268-K271 PolarHBondContact O-N 2.87Å; D268-L272 HydrophobicContact CB-CD1 3.99Å; D268-L272 PolarHBondContact O-N 2.91Å
269Q43.9Very low58.9Low71 Ų7151.8 Ų51.833%0.33226%0.259SS..Hα-helixtrans-56.2-36-177.5-92.6-178.8-1.600113.7K271 C273Q269-K271 VanDerWaalsContact C-N 3.25Å; Q269-K271 PolarHBondContact O-N 2.74Å; Q269-C273 PolarHBondContact O-N 2.78Å; Q269-C273 PolarHBondContact O-SG 3.39Å
270E41.9Very low59.7Low187 Ų18751.3 Ų51.387%0.87426%0.256SS*.Hα-helixtrans-68.4-22.5174.7-74-175.4163.700113.3D268D268-E270 VanDerWaalsContact C-N 3.28Å; D268-E270 PolarHBondContact O-N 2.8Å
271K44.1Very low60.4Low135 Ų13551.4 Ų51.459%0.58726%0.256SS*.Hα-helixtrans-97.6-22.7178.7-70.1178.3-176.3165.40113.6D268 Q269D268-K271 CarbonylContact O-C 3.54Å; D268-K271 WeakPolarHBondContact O-CA 3.46Å; D268-K271 PolarHBondContact O-N 2.87Å; Q269-K271 VanDerWaalsContact C-N 3.25Å; Q269-K271 PolarHBondContact O-N 2.74Å
272L43.5Very low61.3Low54 Ų5452.2 Ų52.228%0.28326%0.262SS..Hα-helixtrans-79.2-23.6179-84.1153.2000113.4D268 N274 Q275D268-L272 HydrophobicContact CB-CD1 3.99Å; D268-L272 PolarHBondContact O-N 2.91Å; L272-N274 PolarHBondContact O-N 2.96Å; L272-N274 VanDerWaalsContact O-N 3.08Å; L272-Q275 PolarHBondContact O-N 2.78Å
273C45.6Very low62.2Low48 Ų4852.2 Ų52.232%0.32426%0.259SS..THydrogen-bonded Turntrans-60.2-18178.1-72.90000114.3Q269 T329Q269-C273 PolarHBondContact O-N 2.78Å; Q269-C273 PolarHBondContact O-SG 3.39Å; C273-T329 WeakPolarHBondContact CB-O 3.21Å
274N51.2Low63.1Low78 Ų7856 Ų5642%0.41728%0.277SS..THydrogen-bonded Turntrans-105.922.9-177.6-71.9-8.3000113.4L272 K295L272-N274 PolarHBondContact O-N 2.96Å; L272-N274 VanDerWaalsContact O-N 3.08Å; N274-K295 WeakPolarHBondContact O-CD 3.28Å; N274-K295 WeakPolarHBondContact O-CE 3.19Å; N274-K295 WeakPolarHBondContact O-CG 3.25Å
275Q62.4Low64.1Low37 Ų3753.3 Ų53.317%0.17326%0.263CS..SBendtrans-107.2148.9177.9-68.3-173.52.400111.7L272L272-Q275 PolarHBondContact O-N 2.78Å
276P70.3Confident65.4Low15 Ų1551.6 Ų51.610%0.09726%0.257CS..  trans-63.3138.9175.127.4-32.2000110.4L254 Y292 S293L254-P276 HydrophobicContact CD1-CG 3.35Å; L254-P276 HydrophobicContact CD2-CG 3.45Å; L254-P276 VanDerWaalsContact CD2-CG 3.45Å; L254-P276 HydrophobicContact CG-CG 4.02Å; P276-Y292 HydrophobicContact CB-CE2 3.87Å; P276-S293 CarbonylContact C-O 3.54Å; P276-S293 WeakPolarHBondContact CA-O 3.37Å; P276-S293 WeakPolarHBondContact CB-O 3.3Å
277S78.9Confident67.3Low16 Ų1648.6 Ų48.611%0.11224%0.243CC..EExtended strand (participates in β ladder)trans-93.9131.5171.855.80000109.3Y292 S293 I332 F334S277-Y292 CarbonylContact O-C 3.54Å; S277-Y292 WeakPolarHBondContact O-CA 3.01Å; S277-S293 PolarHBondContact N-O 3.2Å; S277-S293 VanDerWaalsContact N-O 3.1Å; S277-S293 PolarHBondContact O-N 2.99Å; S277-S293 WeakPolarHBondContact OG-CB 3.35Å; S277-I332 WeakPolarHBondContact CB-O 3.5Å; S277-I332 PolarHBondContact OG-O 2.79Å; S277-F334 VanDerWaalsContact OG-CE2 3.25Å; S277-F334 WeakPolarHBondContact OG-CE2 3.45Å
278L86.6Confident69.7Low7 Ų742.7 Ų42.74%0.03722%0.215CC..EExtended strand (participates in β ladder)trans-136.2125.6178.7-177.874.8000108.3W206 I219 I249 V290 C291 Y292W206-L278 HydrophobicContact CD2-CD2 3.51Å; W206-L278 HydrophobicContact CD2-CG 4.39Å; W206-L278 HydrophobicContact CE3-CD2 3.92Å; W206-L278 HydrophobicContact CG-CD2 3.8Å; W206-L278 HydrophobicContact CH2-CD2 4.35Å; W206-L278 HydrophobicContact CZ2-CB 4.41Å; W206-L278 HydrophobicContact CZ2-CD2 4Å; W206-L278 HydrophobicContact CZ2-CG 4.03Å; W206-L278 WeakPolarHBondContact CZ2-O 3.48Å; W206-L278 HydrophobicContact CZ3-CD2 4.33Å; I219-L278 HydrophobicContact CD1-CD2 3.39Å; I249-L278 HydrophobicContact CD1-CD1 4.3Å; I249-L278 HydrophobicContact CD1-CD2 4.42Å; L278-V290 HydrophobicContact CD1-CG1 3.53Å; L278-V290 HydrophobicContact CG-CG1 4.42Å; L278-C291 CarbonylContact C-O 3.54Å; L278-C291 VanDerWaalsContact CA-O 3.28Å; L278-C291 WeakPolarHBondContact CA-O 3.33Å; L278-Y292 HydrophobicContact CD1-CD2 3.97Å; L278-Y292 HydrophobicContact CD1-CG 4.38Å
279C88.8Confident72Confident19 Ų1940.3 Ų40.313%0.12820%0.203CC..EExtended strand (participates in β ladder)trans-138.4139.6177.6-61.90000110.4F281 V290 C291 F334C279-F281 HydrophobicContact CB-CE1 4.02Å; C279-F281 HydrophobicContact CB-CE2 3.91Å; C279-F281 HydrophobicContact CB-CZ 3.55Å; C279-V290 CarbonylContact O-C 3.55Å; C279-V290 WeakPolarHBondContact O-CA 3.48Å; C279-C291 PolarHBondContact N-O 2.84Å; C279-C291 PolarHBondContact O-N 2.97Å; C279-F334 HydrophobicContact CB-CB 4.39Å
280V90.9Very high74.3Confident4 Ų437 Ų372%0.02419%0.187CC..EExtended strand (participates in β ladder)trans-103.6129.7171179.10000108.3W206 Q208 Y217 L228 L288 C289 V290W206-V280 HydrophobicContact CH2-CG2 3.7Å; W206-V280 HydrophobicContact CZ3-CG2 4.19Å; Q208-V280 PolarHBondContact NE2-O 3.3Å; Y217-V280 HydrophobicContact CD1-CB 4.49Å; Y217-V280 HydrophobicContact CD1-CG1 3.9Å; Y217-V280 HydrophobicContact CD1-CG2 4.48Å; Y217-V280 HydrophobicContact CD2-CB 4.39Å; Y217-V280 HydrophobicContact CD2-CG1 4.26Å; Y217-V280 HydrophobicContact CE1-CG1 3.86Å; Y217-V280 HydrophobicContact CE2-CG1 4.25Å; Y217-V280 HydrophobicContact CG-CB 4.26Å; Y217-V280 HydrophobicContact CG-CG1 4.1Å; Y217-V280 HydrophobicContact CG-CG2 4.31Å; L228-V280 HydrophobicContact CD1-CG2 4.49Å; V280-L288 HydrophobicContact CG1-CD1 3.72Å; V280-C289 WeakPolarHBondContact CA-O 3.32Å; V280-V290 HydrophobicContact CG2-CG1 4.24Å; V280-V290 HydrophobicContact CG2-CG2 4.21Å
281F90.3Very high76.7Confident12 Ų1228.1 Ų28.15%0.05315%0.146CC..EExtended strand (participates in β ladder)trans-120.6140.5173.9-54.5-59.5000110.8C279 C289 C291 F334 N336 V341C279-F281 HydrophobicContact CB-CE1 4.02Å; C279-F281 HydrophobicContact CB-CE2 3.91Å; C279-F281 HydrophobicContact CB-CZ 3.55Å; F281-C289 PolarHBondContact N-O 2.97Å; F281-C289 PolarHBondContact O-N 3.32Å; F281-C291 HydrophobicContact CE2-CB 4.32Å; F281-F334 HydrophobicContact CE2-CB 3.76Å; F281-F334 HydrophobicContact CZ-CB 3.78Å; F281-N336 HydrophobicContact CD1-CB 3.65Å; F281-N336 HydrophobicContact CE1-CB 3.83Å; F281-N336 HydrophobicContact CG-CB 4.17Å; F281-N336 HydrophobicContact CZ-CB 4.5Å; F281-V341 HydrophobicContact CD2-CG2 3.44Å; F281-V341 VanDerWaalsContact CD2-CG2 3.44Å; F281-V341 HydrophobicContact CE2-CG1 4.24Å; F281-V341 HydrophobicContact CE2-CG2 3.86Å; F281-V341 HydrophobicContact CG-CG2 4.24Å
282T88.1Confident78.9Confident24 Ų2422.6 Ų22.615%0.14712%0.121CC..EExtended strand (participates in β ladder)trans-124.3152.4172.964.50000109.8Y217 S287 L288 Y518Y217-T282 VanDerWaalsContact OH-CG2 3.26Å; Y217-T282 WeakPolarHBondContact OH-CG2 3.44Å; T282-S287 WeakPolarHBondContact CA-O 3.47Å; T282-L288 HydrophobicContact CG2-CD1 3.68Å; T282-Y518 VanDerWaalsContact CG2-OH 3.26Å; T282-Y518 WeakPolarHBondContact CG2-OH 3.14Å
283N82.9Confident81Confident16 Ų1620.3 Ų20.39%0.08611%0.11CC..  trans-129.7153.1175-166.213.1000110.5T285 G286 S287 G338 Y339 Y518N283-T285 WeakPolarHBondContact ND2-CG2 3.47Å; N283-T285 PolarHBondContact ND2-OG1 2.96Å; N283-T285 VanDerWaalsContact ND2-OG1 3.15Å; N283-T285 PolarHBondContact O-N 3.05Å; N283-G286 PolarHBondContact O-N 3.09Å; N283-S287 PolarHBondContact N-O 3.33Å; N283-S287 VanDerWaalsContact N-O 3.1Å; N283-G338 PolarHBondContact ND2-O 2.82Å; N283-Y339 VanDerWaalsContact ND2-CD1 3.26Å; N283-Y339 WeakPolarHBondContact ND2-CD1 3.38Å; N283-Y518 VanDerWaalsContact O-CD2 3.3Å; N283-Y518 WeakPolarHBondContact O-CD2 3.41Å; N283-Y518 WeakPolarHBondContact O-CE2 3.47Å
284H77.5Confident82.7Confident120 Ų12020 Ų2056%0.55611%0.107SC*.THydrogen-bonded Turntrans-57.8-14.4174.665.8-83.5000113G286 Y339H284-G286 PolarHBondContact O-N 2.89Å; H284-Y339 AromaticContact CE1-CE1 3.46Å; H284-Y339 VanDerWaalsContact CE1-CE1 3.46Å; H284-Y339 WeakPolarHBondContact CE1-CE1 3.35Å; H284-Y339 AromaticContact CE1-CZ 3.61Å; H284-Y339 PolarHBondContact CE1-OH 2.98Å; H284-Y339 VanDerWaalsContact CE1-OH 3.25Å; H284-Y339 AromaticContact NE2-CE1 3.75Å; H284-Y339 AromaticContact NE2-CZ 3.93Å; H284-Y339 PolarHBondContact NE2-OH 2.88Å
285T74.6Confident83.7Confident1 Ų121.9 Ų21.91%0.00611%0.112CC..THydrogen-bonded Turntrans-780175.265.50000113.7N283 S287 Y339 Q356 Y473 K521 N525N283-T285 WeakPolarHBondContact ND2-CG2 3.47Å; N283-T285 PolarHBondContact ND2-OG1 2.96Å; N283-T285 VanDerWaalsContact ND2-OG1 3.15Å; N283-T285 PolarHBondContact O-N 3.05Å; T285-S287 VanDerWaalsContact C-N 3.26Å; T285-S287 PolarHBondContact OG1-OG 3.11Å; T285-S287 VanDerWaalsContact OG1-OG 3.11Å; T285-Y339 HydrophobicContact CG2-CD1 4.11Å; T285-Y339 HydrophobicContact CG2-CE1 3.7Å; T285-Q356 VanDerWaalsContact CB-OE1 3.28Å; T285-Q356 PolarHBondContact OG1-OE1 3.46Å; T285-Y473 HydrophobicContact CG2-CE1 4.16Å; T285-Y473 WeakPolarHBondContact CG2-OH 3.41Å; T285-K521 VanDerWaalsContact C-CD 3.44Å; T285-K521 VanDerWaalsContact C-CE 3.47Å; T285-K521 VanDerWaalsContact O-CD 3.32Å; T285-K521 WeakPolarHBondContact O-CD 3.29Å; T285-K521 WeakPolarHBondContact O-CE 3.22Å; T285-N525 PolarHBondContact O-ND2 3.28Å
286G81.1Confident83.8Confident0 Ų023.2 Ų23.20%012%0.117CC..SBendtrans77.515.1-176.100000112.8N283 H284 L522 N525N283-G286 PolarHBondContact O-N 3.09Å; H284-G286 PolarHBondContact O-N 2.89Å; G286-L522 VanDerWaalsContact O-CD1 3.22Å; G286-L522 WeakPolarHBondContact O-CD1 3.27Å; G286-N525 PolarHBondContact O-ND2 2.95Å
287S86.4Confident83.3Confident2 Ų226.9 Ų26.91%0.01414%0.136CC..  trans-79.5133.8170.9-59.10000110.4T282 N283 T285 Q356 Y518T282-S287 WeakPolarHBondContact CA-O 3.47Å; N283-S287 PolarHBondContact N-O 3.33Å; N283-S287 VanDerWaalsContact N-O 3.1Å; T285-S287 VanDerWaalsContact C-N 3.26Å; T285-S287 PolarHBondContact OG1-OG 3.11Å; T285-S287 VanDerWaalsContact OG1-OG 3.11Å; S287-Q356 PolarHBondContact OG-OE1 3.23Å; S287-Y518 PolarHBondContact O-OH 3.15Å
288L91.5Very high82.2Confident0 Ų031.8 Ų31.80%017%0.17CC..EExtended strand (participates in β ladder)trans-126.5121.9171.8175.865.3000108.3Y217 F243 V280 T282 L309 H310 L508 L522Y217-L288 HydrophobicContact CE1-CD1 4.44Å; F243-L288 HydrophobicContact CE1-CD2 3.86Å; F243-L288 HydrophobicContact CZ-CD2 3.77Å; V280-L288 HydrophobicContact CG1-CD1 3.72Å; T282-L288 HydrophobicContact CG2-CD1 3.68Å; L288-L309 HydrophobicContact CD2-CB 4.05Å; L288-L309 HydrophobicContact CD2-CD1 3.8Å; L288-L309 HydrophobicContact CG-CB 4.16Å; L288-L309 HydrophobicContact CG-CD1 4.07Å; L288-L309 PolarHBondContact O-N 3.36Å; L288-H310 PolarHBondContact N-ND1 2.8Å; L288-H310 PolarHBondContact O-N 3.33Å; L288-H310 PolarHBondContact O-ND1 3.24Å; L288-L508 HydrophobicContact CD2-CD1 3.88Å; L288-L522 HydrophobicContact CB-CD1 3.89Å; L288-L522 HydrophobicContact CB-CD2 4.45Å; L288-L522 HydrophobicContact CD2-CD2 4.13Å
289C92.1Very high80.7Confident1 Ų134.9 Ų34.91%0.00720%0.204CC..EExtended strand (participates in β ladder)trans-133.1148174.266.20000112.7V280 F281 V306 F307 Y308 I355V280-C289 WeakPolarHBondContact CA-O 3.32Å; F281-C289 PolarHBondContact N-O 2.97Å; F281-C289 PolarHBondContact O-N 3.32Å; C289-V306 HydrophobicContact CB-CG1 4.25Å; C289-F307 CarbonylContact C-O 3.55Å; C289-F307 WeakPolarHBondContact CA-O 3.49Å; C289-Y308 HydrophobicContact CB-CD1 4.48Å; C289-I355 HydrophobicContact CB-CG2 4.06Å
290V92.6Very high79.4Confident1 Ų140 Ų401%0.00623%0.226CC..EExtended strand (participates in β ladder)trans-117.6120.9174.4-170.50000107.6L228 L247 L278 C279 V280 V306 F307 L309L228-V290 HydrophobicContact CD2-CG2 3.81Å; L247-V290 HydrophobicContact CD1-CG1 4.41Å; L278-V290 HydrophobicContact CD1-CG1 3.53Å; L278-V290 HydrophobicContact CG-CG1 4.42Å; C279-V290 CarbonylContact O-C 3.55Å; C279-V290 WeakPolarHBondContact O-CA 3.48Å; V280-V290 HydrophobicContact CG2-CG1 4.24Å; V280-V290 HydrophobicContact CG2-CG2 4.21Å; V290-V306 CarbonylContact O-C 3.6Å; V290-V306 WeakPolarHBondContact O-CA 3.31Å; V290-F307 HydrophobicContact CB-CB 4.04Å; V290-F307 HydrophobicContact CB-CD2 4.26Å; V290-F307 HydrophobicContact CB-CG 4.45Å; V290-F307 PolarHBondContact N-O 2.88Å; V290-F307 WeakPolarHBondContact O-CD2 3.32Å; V290-F307 PolarHBondContact O-N 2.79Å; V290-L309 HydrophobicContact CG2-CD1 3.64Å; V290-L309 HydrophobicContact CG2-CG 4.14Å
291C91.6Very high78.7Confident0 Ų044.7 Ų44.70%025%0.248CC..EExtended strand (participates in β ladder)trans-102.3126.1178.2-60.10000108.9L278 C279 F281 F334L278-C291 CarbonylContact C-O 3.54Å; L278-C291 VanDerWaalsContact CA-O 3.28Å; L278-C291 WeakPolarHBondContact CA-O 3.33Å; C279-C291 PolarHBondContact N-O 2.84Å; C279-C291 PolarHBondContact O-N 2.97Å; F281-C291 HydrophobicContact CE2-CB 4.32Å; C291-F334 HydrophobicContact CB-CB 4.23Å; C291-F334 HydrophobicContact CB-CD1 3.53Å; C291-F334 HydrophobicContact CB-CD2 3.81Å; C291-F334 HydrophobicContact CB-CE1 3.7Å; C291-F334 HydrophobicContact CB-CE2 3.96Å; C291-F334 HydrophobicContact CB-CG 3.58Å; C291-F334 HydrophobicContact CB-CZ 3.92Å
292Y90.1Very high78.4Confident19 Ų1944.3 Ų44.38%0.07525%0.246CC..EExtended strand (participates in β ladder)trans-131.6125.6-175.6173.1-111.9000110.3I249 S250 P276 S277 L278 P294 Y304 S305I249-Y292 HydrophobicContact CB-CE1 4.37Å; I249-Y292 HydrophobicContact CG2-CD1 3.87Å; I249-Y292 HydrophobicContact CG2-CD2 4.49Å; I249-Y292 HydrophobicContact CG2-CE1 4.08Å; I249-Y292 HydrophobicContact CG2-CG 4.09Å; S250-Y292 PolarHBondContact O-OH 3.13Å; P276-Y292 HydrophobicContact CB-CE2 3.87Å; S277-Y292 CarbonylContact O-C 3.54Å; S277-Y292 WeakPolarHBondContact O-CA 3.01Å; L278-Y292 HydrophobicContact CD1-CD2 3.97Å; L278-Y292 HydrophobicContact CD1-CG 4.38Å; Y292-P294 HydrophobicContact CE1-CB 4.06Å; Y292-P294 HydrophobicContact CE1-CG 4.47Å; Y292-Y304 CarbonylContact O-C 3.52Å; Y292-Y304 WeakPolarHBondContact O-CA 3.15Å; Y292-S305 PolarHBondContact N-O 3.04Å; Y292-S305 PolarHBondContact O-N 3.47Å
293S87.1Confident78.4Confident7 Ų745 Ų455%0.04925%0.25CC..EExtended strand (participates in β ladder)trans-111.8121.5165.3-176.30000108P276 S277 I332P276-S293 CarbonylContact C-O 3.54Å; P276-S293 WeakPolarHBondContact CA-O 3.37Å; P276-S293 WeakPolarHBondContact CB-O 3.3Å; S277-S293 PolarHBondContact N-O 3.2Å; S277-S293 VanDerWaalsContact N-O 3.1Å; S277-S293 PolarHBondContact O-N 2.99Å; S277-S293 WeakPolarHBondContact OG-CB 3.35Å; S293-I332 WeakPolarHBondContact OG-CD1 3.36Å
294P81.1Confident78.8Confident41 Ų4144.2 Ų44.227%0.26625%0.246SC..PPolyproline II helixtrans-62.8167.516828.6-34.5000111.3Y292 T303Y292-P294 HydrophobicContact CE1-CB 4.06Å; Y292-P294 HydrophobicContact CE1-CG 4.47Å; P294-T303 WeakPolarHBondContact CD-O 3.42Å
295K73.1Confident79.4Confident117 Ų11738.6 Ų38.651%0.50922%0.22SC..PPolyproline II helixtrans-60.8141.4170.9173.7175177.6-166.70109.9N274N274-K295 WeakPolarHBondContact O-CD 3.28Å; N274-K295 WeakPolarHBondContact O-CE 3.19Å; N274-K295 WeakPolarHBondContact O-CG 3.25Å
296F64.7Low80.3Confident65 Ų6538.7 Ų38.729%0.28522%0.22SC..PPolyproline II helixtrans-102.5130.5179.6-145.6-107.1000111.6E300 E301 I302F296-E300 WeakPolarHBondContact CZ-O 3.46Å; F296-E301 VanDerWaalsContact CE2-O 3.28Å; F296-E301 WeakPolarHBondContact CE2-O 3.36Å; F296-I302 HydrophobicContact CE1-CG1 4.1Å; F296-I302 VanDerWaalsContact CE2-CA 3.42Å; F296-I302 HydrophobicContact CE2-CB 4.12Å; F296-I302 HydrophobicContact CE2-CG1 3.92Å; F296-I302 HydrophobicContact CE2-CG2 4.42Å; F296-I302 HydrophobicContact CZ-CB 4.09Å; F296-I302 HydrophobicContact CZ-CG1 3.41Å; F296-I302 VanDerWaalsContact CZ-CG1 3.41Å
297D59.2Low80.8Confident92 Ų9238.7 Ų38.749%0.49222%0.22SC..PPolyproline II helixtrans-101.4136.4166.1-71.5-24.7000108.8G299 E300D297-G299 PolarHBondContact O-N 2.81Å; D297-E300 PolarHBondContact O-N 3.35Å
298S55.2Low81.1Confident119 Ų11938.7 Ų38.783%0.83222%0.22SC*.THydrogen-bonded Turntrans-66.399.7-172.558.20000111.1
299G55.4Low81Confident72 Ų7238.7 Ų38.774%0.74222%0.22SC*.THydrogen-bonded Turntrans139.3-9.8176.600000115.6D297D297-G299 PolarHBondContact O-N 2.81Å
300E62.6Low80.8Confident127 Ų12738.8 Ų38.859%0.59322%0.221SC*.SBendtrans-92.6173.7179.4-65.7-169.6160.200113.2F296 D297F296-E300 WeakPolarHBondContact CZ-O 3.46Å; D297-E300 PolarHBondContact O-N 3.35Å
301E76.1Confident80.4Confident103 Ų10339.6 Ų39.648%0.48122%0.224SC..  trans-72.7138174.5-62.4179.9158.600111.6F296 T303 T318F296-E301 VanDerWaalsContact CE2-O 3.28Å; F296-E301 WeakPolarHBondContact CE2-O 3.36Å; E301-T303 PolarHBondContact O-N 3.42Å; E301-T303 VanDerWaalsContact O-N 3.13Å; E301-T303 PolarHBondContact O-OG1 3.41Å; E301-T318 HydrophobicContact CB-CG2 3.5Å; E301-T318 HydrophobicContact CG-CG2 4.31Å; E301-T318 WeakPolarHBondContact OE2-CG2 3.36Å
302I83.6Confident80.2Confident4 Ų440 Ų402%0.02123%0.228CC..EExtended strand (participates in β ladder)trans-74.2106.5-177-56.7157000109.9F296 T318 S319 I332 F345 F349F296-I302 HydrophobicContact CE1-CG1 4.1Å; F296-I302 VanDerWaalsContact CE2-CA 3.42Å; F296-I302 HydrophobicContact CE2-CB 4.12Å; F296-I302 HydrophobicContact CE2-CG1 3.92Å; F296-I302 HydrophobicContact CE2-CG2 4.42Å; F296-I302 HydrophobicContact CZ-CB 4.09Å; F296-I302 HydrophobicContact CZ-CG1 3.41Å; F296-I302 VanDerWaalsContact CZ-CG1 3.41Å; I302-T318 CarbonylContact O-C 3.49Å; I302-T318 WeakPolarHBondContact O-CA 3.47Å; I302-S319 PolarHBondContact N-O 3.38Å; I302-S319 PolarHBondContact O-N 3.32Å; I302-I332 HydrophobicContact CG2-CD1 3.67Å; I302-I332 HydrophobicContact CG2-CG1 4.38Å; I302-F345 HydrophobicContact CD1-CD1 3.56Å; I302-F345 HydrophobicContact CD1-CE1 3.37Å; I302-F345 HydrophobicContact CD1-CZ 4.35Å; I302-F345 HydrophobicContact CG1-CD1 4.46Å; I302-F345 HydrophobicContact CG1-CE1 4.13Å; I302-F349 HydrophobicContact CB-CE1 4.3Å; I302-F349 HydrophobicContact CD1-CE1 4.21Å; I302-F349 HydrophobicContact CG2-CE1 3.78Å; I302-F349 HydrophobicContact CG2-CZ 4.1Å
303T87.4Confident80.1Confident37 Ų3740.3 Ų40.323%0.22723%0.229CC..EExtended strand (participates in β ladder)trans-112.9135.1-177.7-57.50000111.7P294 E301 T316 F317 T318P294-T303 WeakPolarHBondContact CD-O 3.42Å; E301-T303 PolarHBondContact O-N 3.42Å; E301-T303 VanDerWaalsContact O-N 3.13Å; E301-T303 PolarHBondContact O-OG1 3.41Å; T303-T316 HydrophobicContact CG2-CG2 3.51Å; T303-F317 VanDerWaalsContact CA-O 3.29Å; T303-F317 WeakPolarHBondContact CA-O 3.22Å; T303-T318 WeakPolarHBondContact OG1-CG2 3.21Å; T303-T318 PolarHBondContact OG1-OG1 2.67Å
304Y90.9Very high80.3Confident1 Ų141.3 Ų41.30%0.00423%0.232CC..EExtended strand (participates in β ladder)trans-144.2156.2167.561-83.3000110.4Y292 V306 T316 F317 I332 F334 V343 F349 H351 L353Y292-Y304 CarbonylContact O-C 3.52Å; Y292-Y304 WeakPolarHBondContact O-CA 3.15Å; Y304-V306 HydrophobicContact CD2-CG2 4.47Å; Y304-T316 WeakPolarHBondContact O-CA 3.3Å; Y304-F317 HydrophobicContact CD1-CB 4.36Å; Y304-F317 HydrophobicContact CD2-CB 4.31Å; Y304-F317 AromaticContact CD2-CD2 4Å; Y304-F317 HydrophobicContact CD2-CD2 4Å; Y304-F317 HydrophobicContact CE1-CB 3.78Å; Y304-F317 HydrophobicContact CE2-CB 3.71Å; Y304-F317 AromaticContact CE2-CD2 3.38Å; Y304-F317 HydrophobicContact CE2-CD2 3.38Å; Y304-F317 HydrophobicContact CE2-CE2 4.23Å; Y304-F317 AromaticContact CE2-CG 3.78Å; Y304-F317 HydrophobicContact CE2-CG 3.78Å; Y304-F317 AromaticContact CZ-CD2 3.94Å; Y304-F317 AromaticContact CZ-CG 3.82Å; Y304-F317 PolarHBondContact N-O 3.29Å; Y304-F317 PolarHBondContact O-N 3.1Å; Y304-F317 WeakPolarHBondContact OH-CB 3.38Å; Y304-I332 HydrophobicContact CD1-CD1 3.85Å; Y304-I332 HydrophobicContact CG-CD1 4.25Å; Y304-F334 HydrophobicContact CD2-CE1 4.28Å; Y304-V343 HydrophobicContact CD1-CG1 4.24Å; Y304-V343 HydrophobicContact CD2-CG1 4.02Å; Y304-V343 HydrophobicContact CD2-CG2 4.26Å; Y304-V343 HydrophobicContact CE1-CG1 4.17Å; Y304-V343 HydrophobicContact CE2-CB 4.25Å; Y304-V343 HydrophobicContact CE2-CG1 3.94Å; Y304-V343 HydrophobicContact CE2-CG2 3.81Å; Y304-V343 HydrophobicContact CG-CG1 4.18Å; Y304-F349 HydrophobicContact CD1-CZ 4.22Å; Y304-F349 AromaticContact CE1-CE2 3.96Å; Y304-F349 HydrophobicContact CE1-CE2 3.96Å; Y304-F349 AromaticContact CE1-CZ 3.73Å; Y304-F349 HydrophobicContact CE1-CZ 3.73Å; Y304-H351 AromaticContact CZ-ND1 3.87Å; Y304-H351 PolarHBondContact OH-ND1 3.14Å; Y304-L353 HydrophobicContact CE2-CD1 4.29Å
305S91.6Very high80.9Confident2 Ų239.9 Ų39.91%0.01422%0.222CC..EExtended strand (participates in β ladder)trans-124.8142.2-178.6-57.80000111.6Y292 R314 K315 T316Y292-S305 PolarHBondContact N-O 3.04Å; Y292-S305 PolarHBondContact O-N 3.47Å; S305-R314 PolarHBondContact OG-NE 3.44Å; S305-R314 VanDerWaalsContact OG-NE 3.15Å; S305-R314 PolarHBondContact OG-NH2 3Å; S305-K315 CarbonylContact C-O 3.17Å; S305-K315 VanDerWaalsContact CA-O 3.29Å; S305-K315 WeakPolarHBondContact CA-O 3.46Å; S305-T316 PolarHBondContact OG-OG1 2.92Å
306V93Very high81.7Confident2 Ų235.2 Ų35.21%0.01220%0.203CC..EExtended strand (participates in β ladder)trans-120.5119.9171-176.40000108.9C289 V290 Y304 Y308 R314 K315 F317 L353C289-V306 HydrophobicContact CB-CG1 4.25Å; V290-V306 CarbonylContact O-C 3.6Å; V290-V306 WeakPolarHBondContact O-CA 3.31Å; Y304-V306 HydrophobicContact CD2-CG2 4.47Å; V306-Y308 HydrophobicContact CB-CE2 4Å; V306-Y308 HydrophobicContact CG1-CD1 4.37Å; V306-Y308 HydrophobicContact CG1-CD2 4.3Å; V306-Y308 HydrophobicContact CG1-CE1 3.86Å; V306-Y308 HydrophobicContact CG1-CE2 3.81Å; V306-R314 WeakPolarHBondContact O-CA 3.39Å; V306-K315 PolarHBondContact N-O 2.84Å; V306-K315 PolarHBondContact O-N 2.98Å; V306-F317 HydrophobicContact CG2-CE2 4.42Å; V306-L353 HydrophobicContact CG2-CD1 3.61Å
307F92.4Very high82.9Confident0 Ų032.2 Ų32.20%019%0.19CC..EExtended strand (participates in β ladder)trans-91.5110.2176.3-60.3-106000108.3L247 I249 C289 V290 L309 R314 L505L247-F307 HydrophobicContact CD2-CD1 4.02Å; L247-F307 HydrophobicContact CD2-CE1 4.33Å; L247-F307 HydrophobicContact CD2-CG 4.46Å; I249-F307 HydrophobicContact CG2-CE1 4.47Å; I249-F307 HydrophobicContact CG2-CE2 3.87Å; I249-F307 HydrophobicContact CG2-CZ 3.48Å; I249-F307 VanDerWaalsContact CG2-CZ 3.48Å; C289-F307 CarbonylContact C-O 3.55Å; C289-F307 WeakPolarHBondContact CA-O 3.49Å; V290-F307 HydrophobicContact CB-CB 4.04Å; V290-F307 HydrophobicContact CB-CD2 4.26Å; V290-F307 HydrophobicContact CB-CG 4.45Å; V290-F307 PolarHBondContact N-O 2.88Å; V290-F307 WeakPolarHBondContact O-CD2 3.32Å; V290-F307 PolarHBondContact O-N 2.79Å; F307-L309 VanDerWaalsContact C-N 3.34Å; F307-L309 HydrophobicContact CB-CD2 4Å; F307-L309 HydrophobicContact CB-CG 4.42Å; F307-L309 PolarHBondContact O-N 2.81Å; F307-R314 HydrophobicContact CD1-CB 4.16Å; F307-R314 HydrophobicContact CD1-CG 4.05Å; F307-R314 HydrophobicContact CE1-CB 4.38Å; F307-R314 HydrophobicContact CE1-CG 3.98Å; F307-R314 HydrophobicContact CG-CG 4.33Å; F307-R314 HydrophobicContact CZ-CG 4.2Å; F307-L505 HydrophobicContact CB-CD1 4.38Å; F307-L505 HydrophobicContact CD1-CD1 3.73Å
308Y91.4Very high84.3Confident2 Ų228.8 Ų28.81%0.00817%0.172CC..EExtended strand (participates in β ladder)trans-88.674.8175.3-61.6-83.6000108.9C289 V306 H310 K311 G312 Y313 K315 I355 P358C289-Y308 HydrophobicContact CB-CD1 4.48Å; V306-Y308 HydrophobicContact CB-CE2 4Å; V306-Y308 HydrophobicContact CG1-CD1 4.37Å; V306-Y308 HydrophobicContact CG1-CD2 4.3Å; V306-Y308 HydrophobicContact CG1-CE1 3.86Å; V306-Y308 HydrophobicContact CG1-CE2 3.81Å; Y308-H310 PolarHBondContact O-N 3.09Å; Y308-H310 VanDerWaalsContact O-N 3.15Å; Y308-K311 CarbonylContact O-C 3.48Å; Y308-K311 PolarHBondContact O-N 3.29Å; Y308-G312 PolarHBondContact O-N 3.31Å; Y308-Y313 AromaticContact CD2-CD2 3.74Å; Y308-Y313 HydrophobicContact CD2-CD2 3.74Å; Y308-Y313 AromaticContact CD2-CE2 3.41Å; Y308-Y313 HydrophobicContact CD2-CE2 3.41Å; Y308-Y313 VanDerWaalsContact CD2-CE2 3.41Å; Y308-Y313 HydrophobicContact CE2-CE2 4.13Å; Y308-Y313 HydrophobicContact CG-CD2 4.31Å; Y308-Y313 AromaticContact CG-CE2 3.83Å; Y308-Y313 HydrophobicContact CG-CE2 3.83Å; Y308-Y313 PolarHBondContact N-O 3.31Å; Y308-K315 HydrophobicContact CD2-CG 4.29Å; Y308-K315 HydrophobicContact CE2-CB 4Å; Y308-K315 HydrophobicContact CE2-CD 3.98Å; Y308-K315 HydrophobicContact CE2-CG 3.93Å; Y308-I355 HydrophobicContact CD1-CG2 4.34Å; Y308-I355 HydrophobicContact CE1-CG2 4.32Å; Y308-P358 HydrophobicContact CD1-CB 3.66Å; Y308-P358 HydrophobicContact CD1-CG 3.51Å; Y308-P358 HydrophobicContact CD2-CB 4.12Å; Y308-P358 HydrophobicContact CD2-CG 4.5Å; Y308-P358 HydrophobicContact CE1-CB 3.5Å; Y308-P358 VanDerWaalsContact CE1-CB 3.5Å; Y308-P358 HydrophobicContact CE1-CG 3.83Å; Y308-P358 HydrophobicContact CE2-CB 3.94Å; Y308-P358 HydrophobicContact CG-CB 3.96Å; Y308-P358 HydrophobicContact CG-CG 3.88Å
309L90.8Very high85.8Confident1 Ų123.6 Ų23.61%0.00514%0.136CC..THydrogen-bonded Turntrans-58.3-32.9-172.9-61.4-174.4000113L228 M245 L247 L288 V290 F307 K311 L505 L508 L526L228-L309 HydrophobicContact CD2-CD1 4.04Å; M245-L309 HydrophobicContact CE-CD2 4.06Å; M245-L309 HydrophobicContact CG-CD2 4.25Å; L247-L309 HydrophobicContact CD2-CD2 4.26Å; L288-L309 HydrophobicContact CD2-CB 4.05Å; L288-L309 HydrophobicContact CD2-CD1 3.8Å; L288-L309 HydrophobicContact CG-CB 4.16Å; L288-L309 HydrophobicContact CG-CD1 4.07Å; L288-L309 PolarHBondContact O-N 3.36Å; V290-L309 HydrophobicContact CG2-CD1 3.64Å; V290-L309 HydrophobicContact CG2-CG 4.14Å; F307-L309 VanDerWaalsContact C-N 3.34Å; F307-L309 HydrophobicContact CB-CD2 4Å; F307-L309 HydrophobicContact CB-CG 4.42Å; F307-L309 PolarHBondContact O-N 2.81Å; L309-K311 VanDerWaalsContact C-N 3.27Å; L309-K311 PolarHBondContact O-N 3.43Å; L309-L505 HydrophobicContact CD2-CD1 4.34Å; L309-L508 HydrophobicContact CB-CD1 4.34Å; L309-L508 HydrophobicContact CD1-CD1 4.18Å; L309-L526 WeakPolarHBondContact O-CD2 3.49Å
310H86.8Confident86.7Confident2 Ų223.4 Ų23.41%0.00913%0.127CC..THydrogen-bonded Turntrans-72.3-14.7176.369.8-75000114.3L288 Y308 I355 L522L288-H310 PolarHBondContact N-ND1 2.8Å; L288-H310 PolarHBondContact O-N 3.33Å; L288-H310 PolarHBondContact O-ND1 3.24Å; Y308-H310 PolarHBondContact O-N 3.09Å; Y308-H310 VanDerWaalsContact O-N 3.15Å; H310-I355 PolarHBondContact CE1-O 3.07Å; H310-I355 PolarHBondContact NE2-O 2.68Å; H310-L522 HydrophobicContact CB-CD1 3.63Å
311K85Confident86.8Confident19 Ų1920.8 Ų20.88%0.08312%0.121CC..THydrogen-bonded Turntrans-112.3-12176.6-65.5-74.3-175165.50113.5Y308 L309 Y313 P358Y308-K311 CarbonylContact O-C 3.48Å; Y308-K311 PolarHBondContact O-N 3.29Å; L309-K311 VanDerWaalsContact C-N 3.27Å; L309-K311 PolarHBondContact O-N 3.43Å; K311-Y313 HydrophobicContact CB-CD1 3.87Å; K311-Y313 HydrophobicContact CB-CE1 3.42Å; K311-Y313 VanDerWaalsContact CB-CE1 3.42Å; K311-Y313 HydrophobicContact CG-CE1 4.28Å; K311-P358 HydrophobicContact CG-CG 4.08Å
312G87.4Confident86Confident8 Ų817.9 Ų17.98%0.08212%0.119CC..THydrogen-bonded Turntrans8029.2175.600000115.2Y308 L505Y308-G312 PolarHBondContact O-N 3.31Å; G312-L505 PolarHBondContact O-N 3.46Å
313Y88.3Confident84.4Confident25 Ų2523 Ų2310%0.09816%0.155CC..EExtended strand (participates in β ladder)trans-145.9161.1174.155.9-104.6000113.1Y308 K311 K315 P358 D359 T502 E503Y308-Y313 AromaticContact CD2-CD2 3.74Å; Y308-Y313 HydrophobicContact CD2-CD2 3.74Å; Y308-Y313 AromaticContact CD2-CE2 3.41Å; Y308-Y313 HydrophobicContact CD2-CE2 3.41Å; Y308-Y313 VanDerWaalsContact CD2-CE2 3.41Å; Y308-Y313 HydrophobicContact CE2-CE2 4.13Å; Y308-Y313 HydrophobicContact CG-CD2 4.31Å; Y308-Y313 AromaticContact CG-CE2 3.83Å; Y308-Y313 HydrophobicContact CG-CE2 3.83Å; Y308-Y313 PolarHBondContact N-O 3.31Å; K311-Y313 HydrophobicContact CB-CD1 3.87Å; K311-Y313 HydrophobicContact CB-CE1 3.42Å; K311-Y313 VanDerWaalsContact CB-CE1 3.42Å; K311-Y313 HydrophobicContact CG-CE1 4.28Å; Y313-K315 HydrophobicContact CD2-CG 4.07Å; Y313-K315 HydrophobicContact CE2-CD 4.19Å; Y313-K315 HydrophobicContact CE2-CG 4.16Å; Y313-P358 HydrophobicContact CE2-CB 4.02Å; Y313-P358 HydrophobicContact CE2-CG 4.26Å; Y313-P358 WeakPolarHBondContact OH-CB 3.42Å; Y313-P358 WeakPolarHBondContact OH-CG 3.47Å; Y313-D359 VanDerWaalsContact CE1-OD1 3.26Å; Y313-D359 WeakPolarHBondContact CE1-OD1 3.2Å; Y313-D359 VanDerWaalsContact CZ-OD1 3.31Å; Y313-D359 PolarHBondContact OH-N 3.2Å; Y313-D359 VanDerWaalsContact OH-N 3.11Å; Y313-D359 PolarHBondContact OH-OD1 2.9Å; Y313-T502 HydrophobicContact CD2-CG2 4.35Å; Y313-T502 HydrophobicContact CG-CG2 4.47Å; Y313-E503 CarbonylContact C-O 3.55Å; Y313-E503 VanDerWaalsContact CA-O 3.23Å; Y313-E503 WeakPolarHBondContact CA-O 3.45Å; Y313-E503 VanDerWaalsContact CB-O 3.27Å; Y313-E503 WeakPolarHBondContact CB-O 3.41Å
314R91.3Very high82.6Confident29 Ų2923.5 Ų23.511%0.10916%0.163CC..EExtended strand (participates in β ladder)trans-110.6137.1172.5179.9-171.7178.4164.74.1109.1D248 S305 V306 F307 T316 T502 E503 L505D248-R314 PolarHBondContact O-NH1 2.78Å; D248-R314 VanDerWaalsContact O-NH1 3.14Å; S305-R314 PolarHBondContact OG-NE 3.44Å; S305-R314 VanDerWaalsContact OG-NE 3.15Å; S305-R314 PolarHBondContact OG-NH2 3Å; V306-R314 WeakPolarHBondContact O-CA 3.39Å; F307-R314 HydrophobicContact CD1-CB 4.16Å; F307-R314 HydrophobicContact CD1-CG 4.05Å; F307-R314 HydrophobicContact CE1-CB 4.38Å; F307-R314 HydrophobicContact CE1-CG 3.98Å; F307-R314 HydrophobicContact CG-CG 4.33Å; F307-R314 HydrophobicContact CZ-CG 4.2Å; R314-T316 PolarHBondContact NE-OG1 3.48Å; R314-T502 WeakPolarHBondContact O-CA 3.45Å; R314-E503 HydrophobicContact CB-CB 4.44Å; R314-E503 PolarHBondContact N-O 2.94Å; R314-E503 PolarHBondContact O-N 2.82Å; R314-L505 HydrophobicContact CB-CD1 4.01Å; R314-L505 HydrophobicContact CB-CD2 4.33Å; R314-L505 HydrophobicContact CB-CG 4.16Å
315K91.7Very high80.3Confident11 Ų1127.5 Ų27.55%0.04821%0.205CC..EExtended strand (participates in β ladder)trans-113.8124.8167.7-67-166.8170.4-166.20109.6S305 V306 Y308 Y313 F317 P358 L500 V501 T502S305-K315 CarbonylContact C-O 3.17Å; S305-K315 VanDerWaalsContact CA-O 3.29Å; S305-K315 WeakPolarHBondContact CA-O 3.46Å; V306-K315 PolarHBondContact N-O 2.84Å; V306-K315 PolarHBondContact O-N 2.98Å; Y308-K315 HydrophobicContact CD2-CG 4.29Å; Y308-K315 HydrophobicContact CE2-CB 4Å; Y308-K315 HydrophobicContact CE2-CD 3.98Å; Y308-K315 HydrophobicContact CE2-CG 3.93Å; Y313-K315 HydrophobicContact CD2-CG 4.07Å; Y313-K315 HydrophobicContact CE2-CD 4.19Å; Y313-K315 HydrophobicContact CE2-CG 4.16Å; K315-F317 HydrophobicContact CB-CE2 3.72Å; K315-F317 HydrophobicContact CB-CZ 3.85Å; K315-F317 HydrophobicContact CD-CZ 4.32Å; K315-P358 WeakPolarHBondContact CE-O 3.43Å; K315-P358 PolarHBondContact NZ-O 3.12Å; K315-L500 HydrophobicContact CB-CD1 3.68Å; K315-L500 HydrophobicContact CD-CD1 4.01Å; K315-L500 HydrophobicContact CG-CD1 4.01Å; K315-V501 CarbonylContact C-O 3.54Å; K315-V501 WeakPolarHBondContact CA-O 3.32Å; K315-T502 HydrophobicContact CG-CG2 4.23Å
316T91.2Very high78.2Confident18 Ų1830.8 Ų30.811%0.1123%0.228CC..EExtended strand (participates in β ladder)trans-108.6125.1174.9-60.70000108.5T303 Y304 S305 R314 L500 V501T303-T316 HydrophobicContact CG2-CG2 3.51Å; Y304-T316 WeakPolarHBondContact O-CA 3.3Å; S305-T316 PolarHBondContact OG-OG1 2.92Å; R314-T316 PolarHBondContact NE-OG1 3.48Å; T316-L500 WeakPolarHBondContact O-CA 3.37Å; T316-V501 PolarHBondContact N-O 3.43Å; T316-V501 PolarHBondContact O-N 2.8Å
317F90.5Very high75.7Confident3 Ų340.1 Ų40.11%0.01327%0.27CS..EExtended strand (participates in β ladder)trans-111.5130.3-178.1-59.2-87000108.7T303 Y304 V306 K315 H351 L353 I498 M499 L500T303-F317 VanDerWaalsContact CA-O 3.29Å; T303-F317 WeakPolarHBondContact CA-O 3.22Å; Y304-F317 HydrophobicContact CD1-CB 4.36Å; Y304-F317 HydrophobicContact CD2-CB 4.31Å; Y304-F317 AromaticContact CD2-CD2 4Å; Y304-F317 HydrophobicContact CD2-CD2 4Å; Y304-F317 HydrophobicContact CE1-CB 3.78Å; Y304-F317 HydrophobicContact CE2-CB 3.71Å; Y304-F317 AromaticContact CE2-CD2 3.38Å; Y304-F317 HydrophobicContact CE2-CD2 3.38Å; Y304-F317 HydrophobicContact CE2-CE2 4.23Å; Y304-F317 AromaticContact CE2-CG 3.78Å; Y304-F317 HydrophobicContact CE2-CG 3.78Å; Y304-F317 AromaticContact CZ-CD2 3.94Å; Y304-F317 AromaticContact CZ-CG 3.82Å; Y304-F317 PolarHBondContact N-O 3.29Å; Y304-F317 PolarHBondContact O-N 3.1Å; Y304-F317 WeakPolarHBondContact OH-CB 3.38Å; V306-F317 HydrophobicContact CG2-CE2 4.42Å; K315-F317 HydrophobicContact CB-CE2 3.72Å; K315-F317 HydrophobicContact CB-CZ 3.85Å; K315-F317 HydrophobicContact CD-CZ 4.32Å; F317-H351 AromaticContact CD1-CE1 3.86Å; F317-H351 AromaticContact CE1-CE1 3.71Å; F317-L353 HydrophobicContact CE1-CD2 4.05Å; F317-L353 HydrophobicContact CE2-CD1 4.05Å; F317-L353 HydrophobicContact CE2-CD2 3.9Å; F317-L353 HydrophobicContact CZ-CD1 4.46Å; F317-L353 HydrophobicContact CZ-CD2 3.47Å; F317-L353 VanDerWaalsContact CZ-CD2 3.47Å; F317-I498 HydrophobicContact CB-CG2 3.89Å; F317-I498 HydrophobicContact CD1-CG2 3.81Å; F317-I498 HydrophobicContact CG-CG2 4.35Å; F317-M499 CarbonylContact C-O 3.56Å; F317-M499 WeakPolarHBondContact CA-O 3.43Å; F317-L500 HydrophobicContact CD1-CD1 3.93Å; F317-L500 HydrophobicContact CE1-CD1 3.64Å; F317-L500 HydrophobicContact CZ-CD1 3.99Å
318T88.6Confident73.5Confident20 Ų2044.5 Ų44.512%0.12330%0.297CS..EExtended strand (participates in β ladder)trans-125.4124.6178.9-59.30000109.1E301 I302 T303 I498 M499E301-T318 HydrophobicContact CB-CG2 3.5Å; E301-T318 HydrophobicContact CG-CG2 4.31Å; E301-T318 WeakPolarHBondContact OE2-CG2 3.36Å; I302-T318 CarbonylContact O-C 3.49Å; I302-T318 WeakPolarHBondContact O-CA 3.47Å; T303-T318 WeakPolarHBondContact OG1-CG2 3.21Å; T303-T318 PolarHBondContact OG1-OG1 2.67Å; T318-I498 CarbonylContact O-C 3.48Å; T318-I498 WeakPolarHBondContact O-CA 3.39Å; T318-M499 PolarHBondContact N-O 2.95Å; T318-M499 PolarHBondContact O-N 2.86Å
319S85.3Confident71.6Confident10 Ų1049 Ų497%0.0733%0.325CS..EExtended strand (participates in β ladder)trans-121.4141.1-179.1-169.30000110.8I302 G497I302-S319 PolarHBondContact N-O 3.38Å; I302-S319 PolarHBondContact O-N 3.32Å; S319-G497 WeakPolarHBondContact CB-O 3.06Å; S319-G497 PolarHBondContact OG-O 3.22Å
320A75Confident70.2Confident68 Ų6851.7 Ų51.756%0.56234%0.337SS*.PPolyproline II helixtrans-65.2139.9177.900000110.6G322A320-G322 PolarHBondContact O-N 2.92Å; A320-G322 VanDerWaalsContact O-N 3.14Å
321P65.1Low69.4Low71 Ų7153.3 Ų53.346%0.46135%0.354SS..PPolyproline II helixtrans-64.4118.3177.325.5-30.4000109.4
322G58.2Low69.1Low42 Ų4252.8 Ų52.843%0.43335%0.352SS..PPolyproline II helixtrans-63.3150.8177.700000112.1A320 A324A320-G322 PolarHBondContact O-N 2.92Å; A320-G322 VanDerWaalsContact O-N 3.14Å; G322-A324 PolarHBondContact O-N 3.1Å
323S50.8Low69Low113 Ų11353.6 Ų53.679%0.7936%0.355SS*.  trans-73.323.7-179.6600000114.9G325S323-G325 PolarHBondContact O-N 2.84Å
324A48.3Very low68.9Low47 Ų4752.5 Ų52.539%0.38835%0.351SS..  trans-84.8113.1-173.100000112G322 S326G322-A324 PolarHBondContact O-N 3.1Å; A324-S326 PolarHBondContact O-N 3.43Å
325G43.7Very low68.8Low85 Ų8551.1 Ų51.188%0.87635%0.346SS*.  trans-76.768.1-178.700000115S323S323-G325 PolarHBondContact O-N 2.84Å
326S46.5Very low68.6Low71 Ų7151.5 Ų51.550%0.49735%0.348SS..  trans-119.7123.8170.487.60000112.6A324 V328A324-S326 PolarHBondContact O-N 3.43Å; S326-V328 PolarHBondContact O-N 2.95Å
327H42.4Very low68.2Low197 Ų19751.8 Ų51.891%0.91235%0.349SS*.SBendtrans-7524.6-176-73.4-79.9000114.8
328V46.3Very low67.7Low92 Ų9252.6 Ų52.656%0.55836%0.358SS*.  trans-123.783.2-177.2-169.50000109.4S326 K330S326-V328 PolarHBondContact O-N 2.95Å; V328-K330 HydrophobicContact CG1-CD 4.07Å; V328-K330 HydrophobicContact CG1-CG 4.08Å; V328-K330 PolarHBondContact O-N 2.68Å
329T50.9Low67.3Low97 Ų9753.2 Ų53.260%0.59536%0.358SS*.  trans-67.893.6175.546.30000110.3C273C273-T329 WeakPolarHBondContact CB-O 3.21Å
330K60.8Low67.3Low58 Ų5853.1 Ų53.125%0.25236%0.357SS..  trans-106131.4172.1-77.9175.7177.8172.10109.8V328 F345 P346 P379V328-K330 HydrophobicContact CG1-CD 4.07Å; V328-K330 HydrophobicContact CG1-CG 4.08Å; V328-K330 PolarHBondContact O-N 2.68Å; K330-F345 WeakPolarHBondContact O-CD2 3.12Å; K330-F345 WeakPolarHBondContact O-CE2 3.38Å; K330-P346 HydrophobicContact CB-CG 4.2Å; K330-P379 WeakPolarHBondContact CD-O 3.36Å; K330-P379 VanDerWaalsContact CE-O 3.25Å; K330-P379 WeakPolarHBondContact CE-O 3.2Å; K330-P379 PolarHBondContact NZ-O 2.94Å
331G69.3Low68.1Low36 Ų3649.9 Ų49.937%0.37133%0.33SS..  trans-62.1165-179.500000114.5T333G331-T333 PolarHBondContact O-N 2.79Å
332I80.2Confident69.2Low7 Ų746.5 Ų46.54%0.03631%0.308CS..  trans-63.5131.8178.4-61.4179.4000110.4S277 S293 I302 Y304 F334 V343 F345 F349S277-I332 WeakPolarHBondContact CB-O 3.5Å; S277-I332 PolarHBondContact OG-O 2.79Å; S293-I332 WeakPolarHBondContact OG-CD1 3.36Å; I302-I332 HydrophobicContact CG2-CD1 3.67Å; I302-I332 HydrophobicContact CG2-CG1 4.38Å; Y304-I332 HydrophobicContact CD1-CD1 3.85Å; Y304-I332 HydrophobicContact CG-CD1 4.25Å; I332-F334 HydrophobicContact CG2-CE1 4.03Å; I332-F334 HydrophobicContact CG2-CE2 4.42Å; I332-F334 HydrophobicContact CG2-CZ 3.98Å; I332-V343 HydrophobicContact CG2-CG1 3.34Å; I332-F345 HydrophobicContact CG1-CB 4.35Å; I332-F345 HydrophobicContact CG1-CD2 3.85Å; I332-F345 HydrophobicContact CG1-CG 4.29Å; I332-F349 HydrophobicContact CD1-CZ 4.46Å
333T83.7Confident70.7Confident25 Ų2544.5 Ų44.515%0.15329%0.288CS..EExtended strand (participates in β ladder)trans-106.4135.4173.7-54.20000110.8G331 L335 Y344 L382G331-T333 PolarHBondContact O-N 2.79Å; T333-L335 HydrophobicContact CG2-CD2 3.89Å; T333-L335 HydrophobicContact CG2-CG 4.33Å; T333-Y344 PolarHBondContact N-O 3.15Å; T333-Y344 PolarHBondContact O-N 2.92Å; T333-L382 HydrophobicContact CG2-CB 4.12Å; T333-L382 WeakPolarHBondContact CG2-O 3.46Å
334F88.1Confident72.3Confident3 Ų339.8 Ų39.81%0.01325%0.253CS..EExtended strand (participates in β ladder)trans-105.8132.4174.4-58.2-73.4000110.2S277 C279 F281 C291 Y304 I332 A342 V343 S384S277-F334 VanDerWaalsContact OG-CE2 3.25Å; S277-F334 WeakPolarHBondContact OG-CE2 3.45Å; C279-F334 HydrophobicContact CB-CB 4.39Å; F281-F334 HydrophobicContact CE2-CB 3.76Å; F281-F334 HydrophobicContact CZ-CB 3.78Å; C291-F334 HydrophobicContact CB-CB 4.23Å; C291-F334 HydrophobicContact CB-CD1 3.53Å; C291-F334 HydrophobicContact CB-CD2 3.81Å; C291-F334 HydrophobicContact CB-CE1 3.7Å; C291-F334 HydrophobicContact CB-CE2 3.96Å; C291-F334 HydrophobicContact CB-CG 3.58Å; C291-F334 HydrophobicContact CB-CZ 3.92Å; Y304-F334 HydrophobicContact CD2-CE1 4.28Å; I332-F334 HydrophobicContact CG2-CE1 4.03Å; I332-F334 HydrophobicContact CG2-CE2 4.42Å; I332-F334 HydrophobicContact CG2-CZ 3.98Å; F334-A342 WeakPolarHBondContact CA-O 3.39Å; F334-V343 HydrophobicContact CD1-CB 4.34Å; F334-V343 HydrophobicContact CD1-CG1 4.03Å; F334-V343 HydrophobicContact CD1-CG2 3.9Å; F334-V343 HydrophobicContact CE1-CB 4.37Å; F334-V343 HydrophobicContact CE1-CG1 3.7Å; F334-V343 HydrophobicContact CE1-CG2 3.95Å; F334-S384 WeakPolarHBondContact O-CB 3.32Å
335L87.7Confident73.9Confident0 Ų038.5 Ų38.50%024%0.238CC..EExtended strand (participates in β ladder)trans-126.4133.4-178.5-54.9171.8000110.3T333 V341 A342 L377 I390T333-L335 HydrophobicContact CG2-CD2 3.89Å; T333-L335 HydrophobicContact CG2-CG 4.33Å; L335-V341 WeakPolarHBondContact O-CA 3.32Å; L335-A342 HydrophobicContact CB-CB 4.17Å; L335-A342 PolarHBondContact N-O 3.31Å; L335-A342 PolarHBondContact O-N 2.86Å; L335-L377 HydrophobicContact CD1-CD1 3.89Å; L335-I390 HydrophobicContact CB-CD1 4.5Å; L335-I390 HydrophobicContact CD1-CD1 3.66Å; L335-I390 HydrophobicContact CD2-CD1 3.67Å; L335-I390 HydrophobicContact CD2-CG1 3.98Å; L335-I390 HydrophobicContact CD2-CG2 4.21Å; L335-I390 HydrophobicContact CG-CD1 4.14Å
336N87.3Confident75.4Confident19 Ų1935.7 Ų35.710%0.10221%0.205CC..EExtended strand (participates in β ladder)trans-86.9119.6176.4-173-0.3000111.5F281 G338 S384 S388F281-N336 HydrophobicContact CD1-CB 3.65Å; F281-N336 HydrophobicContact CE1-CB 3.83Å; F281-N336 HydrophobicContact CG-CB 4.17Å; F281-N336 HydrophobicContact CZ-CB 4.5Å; N336-G338 PolarHBondContact OD1-N 2.82Å; N336-S384 PolarHBondContact N-OG 2.72Å; N336-S388 WeakPolarHBondContact O-CA 3.29Å; N336-S388 WeakPolarHBondContact O-CB 3.45Å; N336-S388 PolarHBondContact O-OG 3.2Å
337L84.1Confident76.5Confident24 Ų2434 Ų3413%0.12620%0.198CC..  trans-114.327.9177-55.6174.2000111.6L3 Y339 L340 A342 L352 S388 A401L3-L337 HydrophobicContact CD2-CD1 3.4Å; L3-L337 VanDerWaalsContact CD2-CD1 3.4Å; L3-L337 HydrophobicContact CD2-CD2 4.28Å; L337-Y339 PolarHBondContact O-N 2.82Å; L337-L340 CarbonylContact C-O 2.96Å; L337-L340 WeakPolarHBondContact CA-O 3.28Å; L337-L340 HydrophobicContact CB-CB 4.21Å; L337-L340 WeakPolarHBondContact CB-O 3.39Å; L337-L340 PolarHBondContact N-O 2.82Å; L337-A342 HydrophobicContact CD1-CB 3.7Å; L337-A342 HydrophobicContact CG-CB 4.37Å; L337-L352 HydrophobicContact CD1-CD2 4.12Å; L337-S388 WeakPolarHBondContact CA-OG 3.39Å; L337-A401 HydrophobicContact CD2-CB 3.54Å
338G80.2Confident78.1Confident19 Ų1926.7 Ų26.720%0.19616%0.164CC..SBendtrans81.8-95.3-177.400000111.2N283 N336 L340N283-G338 PolarHBondContact ND2-O 2.82Å; N336-G338 PolarHBondContact OD1-N 2.82Å; G338-L340 VanDerWaalsContact C-N 3.29Å
339Y79.1Confident79.9Confident33 Ų3322.7 Ų22.713%0.12914%0.139CC..SBendtrans-79.7-14.4-180-48.1-68.4000113.1N283 H284 T285 L337 I355 W470 Y473N283-Y339 VanDerWaalsContact ND2-CD1 3.26Å; N283-Y339 WeakPolarHBondContact ND2-CD1 3.38Å; H284-Y339 AromaticContact CE1-CE1 3.46Å; H284-Y339 VanDerWaalsContact CE1-CE1 3.46Å; H284-Y339 WeakPolarHBondContact CE1-CE1 3.35Å; H284-Y339 AromaticContact CE1-CZ 3.61Å; H284-Y339 PolarHBondContact CE1-OH 2.98Å; H284-Y339 VanDerWaalsContact CE1-OH 3.25Å; H284-Y339 AromaticContact NE2-CE1 3.75Å; H284-Y339 AromaticContact NE2-CZ 3.93Å; H284-Y339 PolarHBondContact NE2-OH 2.88Å; T285-Y339 HydrophobicContact CG2-CD1 4.11Å; T285-Y339 HydrophobicContact CG2-CE1 3.7Å; L337-Y339 PolarHBondContact O-N 2.82Å; Y339-I355 PolarHBondContact O-N 2.86Å; Y339-W470 HydrophobicContact CD2-CH2 4.49Å; Y339-W470 HydrophobicContact CD2-CZ3 4.36Å; Y339-W470 HydrophobicContact CG-CH2 4.36Å; Y339-Y473 HydrophobicContact CD1-CE1 4.28Å; Y339-Y473 AromaticContact CE1-CE1 3.68Å; Y339-Y473 HydrophobicContact CE1-CE1 3.68Å
340L86.4Confident81.6Confident8 Ų818.9 Ų18.94%0.04212%0.115CC..EExtended strand (participates in β ladder)trans-120.2145.5-177.9-65160000110.5L337 G338 L353 N354 L403L337-L340 CarbonylContact C-O 2.96Å; L337-L340 WeakPolarHBondContact CA-O 3.28Å; L337-L340 HydrophobicContact CB-CB 4.21Å; L337-L340 WeakPolarHBondContact CB-O 3.39Å; L337-L340 PolarHBondContact N-O 2.82Å; G338-L340 VanDerWaalsContact C-N 3.29Å; L340-L353 CarbonylContact C-O 3.49Å; L340-L353 VanDerWaalsContact CA-O 3.25Å; L340-L353 WeakPolarHBondContact CA-O 3.46Å; L340-N354 HydrophobicContact CD2-CB 4.06Å; L340-L403 HydrophobicContact CD1-CD1 3.58Å; L340-L403 HydrophobicContact CD1-CD2 4.48Å; L340-L403 HydrophobicContact CD1-CG 4.43Å
341V90Very high82.9Confident1 Ų116.1 Ų16.11%0.00610%0.103CC..EExtended strand (participates in β ladder)trans-107.2124.5163.6158.10000108.4F281 L335 V343 L353 I355F281-V341 HydrophobicContact CD2-CG2 3.44Å; F281-V341 VanDerWaalsContact CD2-CG2 3.44Å; F281-V341 HydrophobicContact CE2-CG1 4.24Å; F281-V341 HydrophobicContact CE2-CG2 3.86Å; F281-V341 HydrophobicContact CG-CG2 4.24Å; L335-V341 WeakPolarHBondContact O-CA 3.32Å; V341-V343 HydrophobicContact CG1-CG2 4.21Å; V341-L353 PolarHBondContact N-O 3.41Å; V341-L353 PolarHBondContact O-N 2.9Å; V341-I355 HydrophobicContact CB-CD1 4.13Å; V341-I355 HydrophobicContact CB-CG1 4.2Å; V341-I355 HydrophobicContact CG2-CD1 3.34Å; V341-I355 HydrophobicContact CG2-CG1 3.89Å
342A89.8Confident83.9Confident0 Ų014.4 Ų14.40%09%0.085CC..EExtended strand (participates in β ladder)trans-91.2120.2171.300000110.1L3 F334 L335 L337 L350 H351 L352L3-A342 HydrophobicContact CD1-CB 4.19Å; F334-A342 WeakPolarHBondContact CA-O 3.39Å; L335-A342 HydrophobicContact CB-CB 4.17Å; L335-A342 PolarHBondContact N-O 3.31Å; L335-A342 PolarHBondContact O-N 2.86Å; L337-A342 HydrophobicContact CD1-CB 3.7Å; L337-A342 HydrophobicContact CG-CB 4.37Å; A342-L350 HydrophobicContact CB-CD1 4.13Å; A342-H351 CarbonylContact C-O 3.58Å; A342-H351 WeakPolarHBondContact CA-O 3.38Å; A342-L352 HydrophobicContact CB-CD2 3.66Å
343V89.2Confident84.4Confident0 Ų014.1 Ų14.10%08%0.084CC..EExtended strand (participates in β ladder)trans-98.2109.9170.8-169.50000107.5Y304 I332 F334 V341 F349 L350 H351 L353Y304-V343 HydrophobicContact CD1-CG1 4.24Å; Y304-V343 HydrophobicContact CD2-CG1 4.02Å; Y304-V343 HydrophobicContact CD2-CG2 4.26Å; Y304-V343 HydrophobicContact CE1-CG1 4.17Å; Y304-V343 HydrophobicContact CE2-CB 4.25Å; Y304-V343 HydrophobicContact CE2-CG1 3.94Å; Y304-V343 HydrophobicContact CE2-CG2 3.81Å; Y304-V343 HydrophobicContact CG-CG1 4.18Å; I332-V343 HydrophobicContact CG2-CG1 3.34Å; F334-V343 HydrophobicContact CD1-CB 4.34Å; F334-V343 HydrophobicContact CD1-CG1 4.03Å; F334-V343 HydrophobicContact CD1-CG2 3.9Å; F334-V343 HydrophobicContact CE1-CB 4.37Å; F334-V343 HydrophobicContact CE1-CG1 3.7Å; F334-V343 HydrophobicContact CE1-CG2 3.95Å; V341-V343 HydrophobicContact CG1-CG2 4.21Å; V343-F349 HydrophobicContact CG1-CE2 4.13Å; V343-L350 WeakPolarHBondContact O-CA 3.19Å; V343-H351 HydrophobicContact CB-CB 4.13Å; V343-H351 PolarHBondContact N-O 2.86Å; V343-H351 PolarHBondContact O-N 3.05Å; V343-L353 HydrophobicContact CG2-CD1 3.7Å; V343-L353 HydrophobicContact CG2-CG 4.39Å
344Y85Confident84.6Confident14 Ų1413.1 Ų13.16%0.0558%0.078CC..EExtended strand (participates in β ladder)trans-112.6124.2-177177.1-121.3000110.7T333 P346 L350 L377T333-Y344 PolarHBondContact N-O 3.15Å; T333-Y344 PolarHBondContact O-N 2.92Å; Y344-P346 HydrophobicContact CD1-CG 4.13Å; Y344-P346 HydrophobicContact CE1-CB 4.04Å; Y344-P346 HydrophobicContact CE1-CG 3.65Å; Y344-L350 HydrophobicContact CD2-CD1 4.2Å; Y344-L377 HydrophobicContact CD1-CB 4.13Å; Y344-L377 HydrophobicContact CD1-CD1 3.57Å; Y344-L377 HydrophobicContact CD1-CG 4.49Å; Y344-L377 HydrophobicContact CD2-CD1 3.96Å; Y344-L377 HydrophobicContact CE1-CB 3.55Å; Y344-L377 HydrophobicContact CE1-CD1 3.87Å; Y344-L377 HydrophobicContact CE1-CG 4.32Å; Y344-L377 HydrophobicContact CE2-CB 4.41Å; Y344-L377 HydrophobicContact CE2-CD1 4.25Å; Y344-L377 HydrophobicContact CG-CD1 3.6Å
345F81.3Confident84.4Confident20 Ų2013.3 Ų13.39%0.0888%0.079CC..EExtended strand (participates in β ladder)trans-115.3108.6168.5-170.3-130.9000108.8I302 K330 I332 G347 H348 F349I302-F345 HydrophobicContact CD1-CD1 3.56Å; I302-F345 HydrophobicContact CD1-CE1 3.37Å; I302-F345 HydrophobicContact CD1-CZ 4.35Å; I302-F345 HydrophobicContact CG1-CD1 4.46Å; I302-F345 HydrophobicContact CG1-CE1 4.13Å; K330-F345 WeakPolarHBondContact O-CD2 3.12Å; K330-F345 WeakPolarHBondContact O-CE2 3.38Å; I332-F345 HydrophobicContact CG1-CB 4.35Å; I332-F345 HydrophobicContact CG1-CD2 3.85Å; I332-F345 HydrophobicContact CG1-CG 4.29Å; F345-G347 PolarHBondContact O-N 3.14Å; F345-H348 HydrophobicContact CB-CB 4.33Å; F345-H348 HydrophobicContact CD1-CB 3.24Å; F345-H348 AromaticContact CD1-CD2 3.96Å; F345-H348 AromaticContact CD1-CG 3.3Å; F345-H348 AromaticContact CD1-ND1 3.47Å; F345-H348 WeakPolarHBondContact CD1-ND1 3.43Å; F345-H348 HydrophobicContact CE1-CB 3.81Å; F345-H348 AromaticContact CE1-CD2 3.56Å; F345-H348 AromaticContact CE1-CE1 3.46Å; F345-H348 VanDerWaalsContact CE1-CE1 3.46Å; F345-H348 WeakPolarHBondContact CE1-CE1 3.43Å; F345-H348 AromaticContact CE1-CG 3.28Å; F345-H348 AromaticContact CE1-ND1 3.22Å; F345-H348 WeakPolarHBondContact CE1-ND1 3.46Å; F345-H348 AromaticContact CE1-NE2 3.67Å; F345-H348 HydrophobicContact CG-CB 4.13Å; F345-H348 AromaticContact CZ-CE1 3.99Å; F345-H348 AromaticContact CZ-ND1 3.98Å; F345-H348 PolarHBondContact O-N 2.78Å; F345-F349 HydrophobicContact CB-CD1 3.99Å; F345-F349 HydrophobicContact CB-CD2 4.46Å; F345-F349 HydrophobicContact CB-CE1 3.72Å; F345-F349 HydrophobicContact CB-CE2 4.21Å; F345-F349 HydrophobicContact CB-CG 4.35Å; F345-F349 HydrophobicContact CB-CZ 3.83Å; F345-F349 HydrophobicContact CD1-CD1 4.31Å; F345-F349 HydrophobicContact CD1-CE1 4.06Å; F345-F349 HydrophobicContact CG-CE1 4.25Å; F345-F349 PolarHBondContact N-O 2.82Å; F345-F349 PolarHBondContact O-N 2.92Å
346P75Confident84Confident26 Ų2613.3 Ų13.317%0.1698%0.079CC..THydrogen-bonded Turntrans-52.4126.8-171-26.632.2000113.5K330 Y344 H348K330-P346 HydrophobicContact CB-CG 4.2Å; Y344-P346 HydrophobicContact CD1-CG 4.13Å; Y344-P346 HydrophobicContact CE1-CB 4.04Å; Y344-P346 HydrophobicContact CE1-CG 3.65Å; P346-H348 PolarHBondContact O-N 3.13Å; P346-H348 PolarHBondContact O-ND1 2.85Å
347G69.9Low83.7Confident34 Ų3412.6 Ų12.635%0.3518%0.075SC..THydrogen-bonded Turntrans74.72.1178.100000115.9F345F345-G347 PolarHBondContact O-N 3.14Å
348H76.3Confident83.6Confident45 Ų4511.7 Ų11.721%0.2087%0.07CC..THydrogen-bonded Turntrans-124.7-56.1-173.6-6782000113.4F345 P346 G369F345-H348 HydrophobicContact CB-CB 4.33Å; F345-H348 HydrophobicContact CD1-CB 3.24Å; F345-H348 AromaticContact CD1-CD2 3.96Å; F345-H348 AromaticContact CD1-CG 3.3Å; F345-H348 AromaticContact CD1-ND1 3.47Å; F345-H348 WeakPolarHBondContact CD1-ND1 3.43Å; F345-H348 HydrophobicContact CE1-CB 3.81Å; F345-H348 AromaticContact CE1-CD2 3.56Å; F345-H348 AromaticContact CE1-CE1 3.46Å; F345-H348 VanDerWaalsContact CE1-CE1 3.46Å; F345-H348 WeakPolarHBondContact CE1-CE1 3.43Å; F345-H348 AromaticContact CE1-CG 3.28Å; F345-H348 AromaticContact CE1-ND1 3.22Å; F345-H348 WeakPolarHBondContact CE1-ND1 3.46Å; F345-H348 AromaticContact CE1-NE2 3.67Å; F345-H348 HydrophobicContact CG-CB 4.13Å; F345-H348 AromaticContact CZ-CE1 3.99Å; F345-H348 AromaticContact CZ-ND1 3.98Å; F345-H348 PolarHBondContact O-N 2.78Å; P346-H348 PolarHBondContact O-N 3.13Å; P346-H348 PolarHBondContact O-ND1 2.85Å; H348-G369 WeakPolarHBondContact O-CA 3.49Å; H348-G369 PolarHBondContact O-N 3.38Å
349F82.7Confident83.6Confident7 Ų715 Ų153%0.0318%0.084CC..EExtended strand (participates in β ladder)trans-158161.9178.168.4-101.3000113.7I302 Y304 I332 V343 F345 H351 F366 L367I302-F349 HydrophobicContact CB-CE1 4.3Å; I302-F349 HydrophobicContact CD1-CE1 4.21Å; I302-F349 HydrophobicContact CG2-CE1 3.78Å; I302-F349 HydrophobicContact CG2-CZ 4.1Å; Y304-F349 HydrophobicContact CD1-CZ 4.22Å; Y304-F349 AromaticContact CE1-CE2 3.96Å; Y304-F349 HydrophobicContact CE1-CE2 3.96Å; Y304-F349 AromaticContact CE1-CZ 3.73Å; Y304-F349 HydrophobicContact CE1-CZ 3.73Å; I332-F349 HydrophobicContact CD1-CZ 4.46Å; V343-F349 HydrophobicContact CG1-CE2 4.13Å; F345-F349 HydrophobicContact CB-CD1 3.99Å; F345-F349 HydrophobicContact CB-CD2 4.46Å; F345-F349 HydrophobicContact CB-CE1 3.72Å; F345-F349 HydrophobicContact CB-CE2 4.21Å; F345-F349 HydrophobicContact CB-CG 4.35Å; F345-F349 HydrophobicContact CB-CZ 3.83Å; F345-F349 HydrophobicContact CD1-CD1 4.31Å; F345-F349 HydrophobicContact CD1-CE1 4.06Å; F345-F349 HydrophobicContact CG-CE1 4.25Å; F345-F349 PolarHBondContact N-O 2.82Å; F345-F349 PolarHBondContact O-N 2.92Å; F349-H351 HydrophobicContact CD2-CB 4.43Å; F349-F366 HydrophobicContact CB-CD2 4.49Å; F349-F366 HydrophobicContact CB-CE2 3.62Å; F349-F366 HydrophobicContact CB-CZ 3.72Å; F349-F366 HydrophobicContact CD1-CE2 4.23Å; F349-F366 HydrophobicContact CD1-CZ 4.27Å; F349-F366 HydrophobicContact CD2-CD2 4.32Å; F349-F366 AromaticContact CD2-CE2 3.51Å; F349-F366 HydrophobicContact CD2-CE2 3.51Å; F349-F366 HydrophobicContact CD2-CZ 4.31Å; F349-F366 HydrophobicContact CE2-CE2 4.2Å; F349-F366 AromaticContact CG-CE2 3.53Å; F349-F366 HydrophobicContact CG-CE2 3.53Å; F349-F366 AromaticContact CG-CZ 3.87Å; F349-F366 HydrophobicContact CG-CZ 3.87Å; F349-L367 CarbonylContact C-O 3.59Å; F349-L367 WeakPolarHBondContact CA-O 3.43Å; F349-L367 WeakPolarHBondContact CB-O 3.18Å
350L86.6Confident83.8Confident17 Ų1713.9 Ų13.99%0.0898%0.08CC..EExtended strand (participates in β ladder)trans-128.5122.4165.8177.168.4000108.5A2 L3 A342 V343 Y344 L352 L367A2-L350 HydrophobicContact CB-CD2 3.86Å; L3-L350 HydrophobicContact CD1-CD1 3.99Å; L3-L350 HydrophobicContact CD1-CD2 4.03Å; L3-L350 HydrophobicContact CG-CD2 4.18Å; A342-L350 HydrophobicContact CB-CD1 4.13Å; V343-L350 WeakPolarHBondContact O-CA 3.19Å; Y344-L350 HydrophobicContact CD2-CD1 4.2Å; L350-L352 HydrophobicContact CD2-CD2 4.49Å; L350-L352 HydrophobicContact CG-CD2 4.41Å; L350-L367 HydrophobicContact CB-CB 4.44Å; L350-L367 HydrophobicContact CD2-CD1 4.38Å; L350-L367 PolarHBondContact N-O 2.96Å; L350-L367 PolarHBondContact O-N 3.48Å
351H89.1Confident83.6Confident0 Ų015.1 Ų15.10%09%0.086CC..EExtended strand (participates in β ladder)trans-113.6120174.3-164.7-173.7000110.4Y304 F317 A342 V343 F349 L353 S364 L365 F366Y304-H351 AromaticContact CZ-ND1 3.87Å; Y304-H351 PolarHBondContact OH-ND1 3.14Å; F317-H351 AromaticContact CD1-CE1 3.86Å; F317-H351 AromaticContact CE1-CE1 3.71Å; A342-H351 CarbonylContact C-O 3.58Å; A342-H351 WeakPolarHBondContact CA-O 3.38Å; V343-H351 HydrophobicContact CB-CB 4.13Å; V343-H351 PolarHBondContact N-O 2.86Å; V343-H351 PolarHBondContact O-N 3.05Å; F349-H351 HydrophobicContact CD2-CB 4.43Å; H351-L353 WeakPolarHBondContact CE1-CD2 3.28Å; H351-S364 WeakPolarHBondContact NE2-CB 3.36Å; H351-L365 WeakPolarHBondContact CA-O 3.29Å; H351-L365 PolarHBondContact CD2-O 2.91Å; H351-F366 HydrophobicContact CB-CD2 3.8Å; H351-F366 HydrophobicContact CB-CE2 4.38Å; H351-F366 AromaticContact CG-CD2 3.87Å
352L90.2Very high83.3Confident0 Ų015.1 Ų15.10%09%0.086CC..EExtended strand (participates in β ladder)trans-95.4109.9172.1-57.2178.5000109L3 L337 A342 L350 S364 L365 L403L3-L352 HydrophobicContact CD2-CD2 4.4Å; L337-L352 HydrophobicContact CD1-CD2 4.12Å; A342-L352 HydrophobicContact CB-CD2 3.66Å; L350-L352 HydrophobicContact CD2-CD2 4.49Å; L350-L352 HydrophobicContact CG-CD2 4.41Å; L352-S364 CarbonylContact O-C 3.6Å; L352-S364 WeakPolarHBondContact O-CA 3.4Å; L352-S364 VanDerWaalsContact O-CB 3.28Å; L352-S364 WeakPolarHBondContact O-CB 3.47Å; L352-L365 HydrophobicContact CB-CB 4.24Å; L352-L365 HydrophobicContact CD1-CB 4.35Å; L352-L365 HydrophobicContact CD1-CD2 4.17Å; L352-L365 PolarHBondContact N-O 3.17Å; L352-L365 PolarHBondContact O-N 3.26Å; L352-L403 HydrophobicContact CD1-CD2 3.73Å
353L90.3Very high83.2Confident1 Ų115.1 Ų15.11%0.0059%0.086CC..EExtended strand (participates in β ladder)trans-99.4125-178.4-70.6172.3000111.2Y304 V306 F317 L340 V341 V343 H351 I355Y304-L353 HydrophobicContact CE2-CD1 4.29Å; V306-L353 HydrophobicContact CG2-CD1 3.61Å; F317-L353 HydrophobicContact CE1-CD2 4.05Å; F317-L353 HydrophobicContact CE2-CD1 4.05Å; F317-L353 HydrophobicContact CE2-CD2 3.9Å; F317-L353 HydrophobicContact CZ-CD1 4.46Å; F317-L353 HydrophobicContact CZ-CD2 3.47Å; F317-L353 VanDerWaalsContact CZ-CD2 3.47Å; L340-L353 CarbonylContact C-O 3.49Å; L340-L353 VanDerWaalsContact CA-O 3.25Å; L340-L353 WeakPolarHBondContact CA-O 3.46Å; V341-L353 PolarHBondContact N-O 3.41Å; V341-L353 PolarHBondContact O-N 2.9Å; V343-L353 HydrophobicContact CG2-CD1 3.7Å; V343-L353 HydrophobicContact CG2-CG 4.39Å; H351-L353 WeakPolarHBondContact CE1-CD2 3.28Å; L353-I355 PolarHBondContact O-N 2.86Å
354N88.1Confident83Confident5 Ų515.5 Ų15.53%0.0279%0.089CC..EExtended strand (participates in β ladder)trans-75.5112.1173.2-169.5-29.6000110.6L340 Q356 H357 P358 H363L340-N354 HydrophobicContact CD2-CB 4.06Å; N354-Q356 WeakPolarHBondContact OD1-CB 3.1Å; N354-Q356 PolarHBondContact OD1-N 3.42Å; N354-H357 PolarHBondContact OD1-N 2.87Å; N354-P358 WeakPolarHBondContact O-CA 3.4Å; N354-H363 HydrophobicContact CB-CB 4.21Å
355I84.5Confident83.2Confident6 Ų614.9 Ų14.93%0.0319%0.086CC..SBendtrans-80.9-26.3-178.7-44.4167.6000111.2C289 Y308 H310 Y339 V341 L353C289-I355 HydrophobicContact CB-CG2 4.06Å; Y308-I355 HydrophobicContact CD1-CG2 4.34Å; Y308-I355 HydrophobicContact CE1-CG2 4.32Å; H310-I355 PolarHBondContact CE1-O 3.07Å; H310-I355 PolarHBondContact NE2-O 2.68Å; Y339-I355 PolarHBondContact O-N 2.86Å; V341-I355 HydrophobicContact CB-CD1 4.13Å; V341-I355 HydrophobicContact CB-CG1 4.2Å; V341-I355 HydrophobicContact CG2-CD1 3.34Å; V341-I355 HydrophobicContact CG2-CG1 3.89Å; L353-I355 PolarHBondContact O-N 2.86Å
356Q80Confident83.5Confident1 Ų114.3 Ų14.31%0.0058%0.084CC..SBendtrans-76.2-45.5-174.9-173.760.735.700111.7T285 S287 N354 P358 Y473 D480T285-Q356 VanDerWaalsContact CB-OE1 3.28Å; T285-Q356 PolarHBondContact OG1-OE1 3.46Å; S287-Q356 PolarHBondContact OG-OE1 3.23Å; N354-Q356 WeakPolarHBondContact OD1-CB 3.1Å; N354-Q356 PolarHBondContact OD1-N 3.42Å; Q356-P358 VanDerWaalsContact O-CD 3.31Å; Q356-P358 WeakPolarHBondContact O-CD 3.31Å; Q356-Y473 PolarHBondContact NE2-OH 3.46Å; Q356-Y473 PolarHBondContact OE1-OH 3.03Å; Q356-D480 VanDerWaalsContact NE2-CB 3.27Å; Q356-D480 PolarHBondContact NE2-OD2 3.04Å
357H80.5Confident84Confident4 Ų413.2 Ų13.22%0.0198%0.077CC..  trans-12166.7178.8-59.9-56.5000110.5N354 D359 Y469 H485N354-H357 PolarHBondContact OD1-N 2.87Å; H357-D359 PolarHBondContact O-N 3.26Å; H357-Y469 PolarHBondContact CE1-OH 2.88Å; H357-Y469 AromaticContact NE2-CE1 3.65Å; H357-Y469 AromaticContact NE2-CZ 3.38Å; H357-Y469 PolarHBondContact NE2-OH 2.94Å; H357-H485 AromaticContact CD2-CD2 3.53Å; H357-H485 AromaticContact CD2-CG 3.71Å; H357-H485 AromaticContact CE1-CD2 3.99Å; H357-H485 AromaticContact CE1-CE1 3.77Å; H357-H485 AromaticContact CE1-CG 3.58Å; H357-H485 AromaticContact CE1-ND1 3.45Å; H357-H485 PolarHBondContact CE1-ND1 2.81Å; H357-H485 AromaticContact CG-CD2 3.49Å; H357-H485 VanDerWaalsContact CG-CD2 3.49Å; H357-H485 AromaticContact CG-CE1 3.81Å; H357-H485 AromaticContact CG-CG 3.88Å; H357-H485 AromaticContact CG-NE2 3.47Å; H357-H485 AromaticContact ND1-CD2 3.83Å; H357-H485 AromaticContact ND1-CE1 3.42Å; H357-H485 PolarHBondContact ND1-CE1 3.03Å; H357-H485 AromaticContact ND1-CG 3.84Å; H357-H485 AromaticContact ND1-ND1 3.6Å; H357-H485 AromaticContact ND1-NE2 3.59Å; H357-H485 AromaticContact NE2-CD2 3.84Å; H357-H485 AromaticContact NE2-CG 3.52Å; H357-H485 AromaticContact NE2-ND1 3.89Å
358P80.5Confident84.4Confident4 Ų414.3 Ų14.33%0.0268%0.076CC..THydrogen-bonded Turntrans-71.8-11.9-17616.5-9.3000112.3Y308 K311 Y313 K315 N354 Q356 L360Y308-P358 HydrophobicContact CD1-CB 3.66Å; Y308-P358 HydrophobicContact CD1-CG 3.51Å; Y308-P358 HydrophobicContact CD2-CB 4.12Å; Y308-P358 HydrophobicContact CD2-CG 4.5Å; Y308-P358 HydrophobicContact CE1-CB 3.5Å; Y308-P358 VanDerWaalsContact CE1-CB 3.5Å; Y308-P358 HydrophobicContact CE1-CG 3.83Å; Y308-P358 HydrophobicContact CE2-CB 3.94Å; Y308-P358 HydrophobicContact CG-CB 3.96Å; Y308-P358 HydrophobicContact CG-CG 3.88Å; K311-P358 HydrophobicContact CG-CG 4.08Å; Y313-P358 HydrophobicContact CE2-CB 4.02Å; Y313-P358 HydrophobicContact CE2-CG 4.26Å; Y313-P358 WeakPolarHBondContact OH-CB 3.42Å; Y313-P358 WeakPolarHBondContact OH-CG 3.47Å; K315-P358 WeakPolarHBondContact CE-O 3.43Å; K315-P358 PolarHBondContact NZ-O 3.12Å; N354-P358 WeakPolarHBondContact O-CA 3.4Å; Q356-P358 VanDerWaalsContact O-CD 3.31Å; Q356-P358 WeakPolarHBondContact O-CD 3.31Å; P358-L360 VanDerWaalsContact C-N 3.33Å; P358-L360 PolarHBondContact O-N 3.39Å
359D80.8Confident83.5Confident90 Ų9013.4 Ų13.448%0.4818%0.08SC..THydrogen-bonded Turntrans-62.6-39-179.5-57.8-36.8000111.8Y313 H357Y313-D359 VanDerWaalsContact CE1-OD1 3.26Å; Y313-D359 WeakPolarHBondContact CE1-OD1 3.2Å; Y313-D359 VanDerWaalsContact CZ-OD1 3.31Å; Y313-D359 PolarHBondContact OH-N 3.2Å; Y313-D359 VanDerWaalsContact OH-N 3.11Å; Y313-D359 PolarHBondContact OH-OD1 2.9Å; H357-D359 PolarHBondContact O-N 3.26Å
360L83.9Confident82.2Confident9 Ų919.1 Ų19.15%0.04711%0.111CC..  trans-96.198.2179.5-69.5172.2000110.8P358 C362 H363P358-L360 VanDerWaalsContact C-N 3.33Å; P358-L360 PolarHBondContact O-N 3.39Å; L360-C362 PolarHBondContact O-N 3.1Å; L360-H363 WeakPolarHBondContact CD1-CE1 3.43Å; L360-H363 WeakPolarHBondContact O-CB 3.43Å; L360-H363 PolarHBondContact O-N 2.91Å; L360-H363 VanDerWaalsContact O-N 3.09Å
361I82.9Confident80.5Confident34 Ų3421.2 Ų21.217%0.17412%0.122CC..G310 helixtrans-67.3-27.3-176.1-44.7139.8000110.9H363 S364 I495 L500I361-H363 PolarHBondContact O-N 3.06Å; I361-S364 WeakPolarHBondContact O-CB 3.46Å; I361-S364 PolarHBondContact O-N 3.47Å; I361-I495 HydrophobicContact CB-CD1 4.19Å; I361-I495 HydrophobicContact CG2-CD1 3.41Å; I361-I495 VanDerWaalsContact CG2-CD1 3.41Å; I361-L500 HydrophobicContact CB-CD2 4.41Å; I361-L500 HydrophobicContact CD1-CD2 3.11Å; I361-L500 HydrophobicContact CG1-CD2 3.48Å; I361-L500 VanDerWaalsContact CG1-CD2 3.48Å; I361-L500 HydrophobicContact CG2-CD2 4.07Å
362C82.9Confident78.6Confident0 Ų031.6 Ų31.60%017%0.167CC..G310 helixtrans-64.1-5.8173.859.60000114.3L360 S364 M423 A424 W491L360-C362 PolarHBondContact O-N 3.1Å; C362-S364 VanDerWaalsContact C-N 3.33Å; C362-M423 HydrophobicContact CB-CG 4.14Å; C362-A424 VanDerWaalsContact O-CA 3.28Å; C362-A424 WeakPolarHBondContact O-CA 3.36Å; C362-A424 WeakPolarHBondContact O-CB 3.5Å; C362-A424 PolarHBondContact O-N 2.9Å; C362-W491 HydrophobicContact CB-CB 4.21Å; C362-W491 HydrophobicContact CB-CD2 3.4Å; C362-W491 VanDerWaalsContact CB-CD2 3.4Å; C362-W491 HydrophobicContact CB-CE3 3.7Å; C362-W491 HydrophobicContact CB-CG 3.62Å; C362-W491 HydrophobicContact CB-CZ2 4.38Å; C362-W491 HydrophobicContact CB-CZ3 4.29Å; C362-W491 VanDerWaalsContact SG-CE3 3.59Å
363H86.7Confident76.6Confident0 Ų036 Ų360%019%0.188CC..G310 helixtrans-87.3-5.2168.2-60.7171.6000112.9N354 L360 I361 M423 H427 H485N354-H363 HydrophobicContact CB-CB 4.21Å; L360-H363 WeakPolarHBondContact CD1-CE1 3.43Å; L360-H363 WeakPolarHBondContact O-CB 3.43Å; L360-H363 PolarHBondContact O-N 2.91Å; L360-H363 VanDerWaalsContact O-N 3.09Å; I361-H363 PolarHBondContact O-N 3.06Å; H363-M423 WeakPolarHBondContact NE2-CE 3.41Å; H363-H427 AromaticContact CD2-CD2 3.45Å; H363-H427 PolarHBondContact CD2-CD2 3.25Å; H363-H427 VanDerWaalsContact CD2-CD2 3.45Å; H363-H427 AromaticContact CD2-CG 3.89Å; H363-H427 AromaticContact CD2-NE2 3.66Å; H363-H427 AromaticContact CE1-CE1 3.82Å; H363-H427 AromaticContact CE1-NE2 3.88Å; H363-H427 AromaticContact NE2-CD2 3.64Å; H363-H427 AromaticContact NE2-CE1 3.71Å; H363-H427 AromaticContact NE2-NE2 3.3Å; H363-H427 PolarHBondContact NE2-NE2 2.88Å; H363-H485 AromaticContact CE1-CD2 3.81Å
364S86.8Confident74.5Confident8 Ų837.1 Ų37.16%0.05620%0.198CC..SBendtrans-99125.7178.9-54.70000110.5H351 L352 I361 C362 A424H351-S364 WeakPolarHBondContact NE2-CB 3.36Å; L352-S364 CarbonylContact O-C 3.6Å; L352-S364 WeakPolarHBondContact O-CA 3.4Å; L352-S364 VanDerWaalsContact O-CB 3.28Å; L352-S364 WeakPolarHBondContact O-CB 3.47Å; I361-S364 WeakPolarHBondContact O-CB 3.46Å; I361-S364 PolarHBondContact O-N 3.47Å; C362-S364 VanDerWaalsContact C-N 3.33Å; S364-A424 WeakPolarHBondContact O-CB 3.46Å
365L88.5Confident72.6Confident1 Ų138.9 Ų38.91%0.00521%0.214CC..EExtended strand (participates in β ladder)trans-97.1114.8-174.8-177.566.7000110.5H351 L352 L367 L408 F411 A424H351-L365 WeakPolarHBondContact CA-O 3.29Å; H351-L365 PolarHBondContact CD2-O 2.91Å; L352-L365 HydrophobicContact CB-CB 4.24Å; L352-L365 HydrophobicContact CD1-CB 4.35Å; L352-L365 HydrophobicContact CD1-CD2 4.17Å; L352-L365 PolarHBondContact N-O 3.17Å; L352-L365 PolarHBondContact O-N 3.26Å; L365-L367 HydrophobicContact CD1-CD2 4.19Å; L365-L367 HydrophobicContact CD2-CD1 4.21Å; L365-L367 HydrophobicContact CD2-CD2 4.21Å; L365-L367 HydrophobicContact CD2-CG 4.28Å; L365-L367 HydrophobicContact CG-CD2 4.05Å; L365-L367 HydrophobicContact CG-CG 4.12Å; L365-L408 HydrophobicContact CD2-CD2 4.18Å; L365-F411 HydrophobicContact CD1-CE1 4.01Å; L365-F411 HydrophobicContact CD1-CZ 4.02Å; L365-A424 HydrophobicContact CB-CB 3.8Å; L365-A424 HydrophobicContact CD1-CB 4.03Å
366F88.3Confident71.1Confident9 Ų943.3 Ų43.34%0.03924%0.24CC..EExtended strand (participates in β ladder)trans-103.4122.3175.7-174.2-115.5000111.9F349 H351 T368 I495 I498F349-F366 HydrophobicContact CB-CD2 4.49Å; F349-F366 HydrophobicContact CB-CE2 3.62Å; F349-F366 HydrophobicContact CB-CZ 3.72Å; F349-F366 HydrophobicContact CD1-CE2 4.23Å; F349-F366 HydrophobicContact CD1-CZ 4.27Å; F349-F366 HydrophobicContact CD2-CD2 4.32Å; F349-F366 AromaticContact CD2-CE2 3.51Å; F349-F366 HydrophobicContact CD2-CE2 3.51Å; F349-F366 HydrophobicContact CD2-CZ 4.31Å; F349-F366 HydrophobicContact CE2-CE2 4.2Å; F349-F366 AromaticContact CG-CE2 3.53Å; F349-F366 HydrophobicContact CG-CE2 3.53Å; F349-F366 AromaticContact CG-CZ 3.87Å; F349-F366 HydrophobicContact CG-CZ 3.87Å; H351-F366 HydrophobicContact CB-CD2 3.8Å; H351-F366 HydrophobicContact CB-CE2 4.38Å; H351-F366 AromaticContact CG-CD2 3.87Å; F366-T368 HydrophobicContact CD1-CG2 4.03Å; F366-T368 HydrophobicContact CE1-CG2 3.5Å; F366-T368 VanDerWaalsContact CE1-CG2 3.5Å; F366-T368 HydrophobicContact CZ-CG2 4.26Å; F366-I495 HydrophobicContact CB-CG2 4.35Å; F366-I498 HydrophobicContact CB-CD1 3.51Å; F366-I498 HydrophobicContact CB-CG1 4.46Å; F366-I498 HydrophobicContact CD1-CD1 3.62Å; F366-I498 HydrophobicContact CD1-CG1 3.62Å; F366-I498 HydrophobicContact CD2-CD1 3.18Å; F366-I498 HydrophobicContact CD2-CG1 3.73Å; F366-I498 HydrophobicContact CE1-CD1 4.04Å; F366-I498 HydrophobicContact CE1-CG1 3.56Å; F366-I498 HydrophobicContact CE2-CD1 3.62Å; F366-I498 HydrophobicContact CE2-CG1 3.64Å; F366-I498 HydrophobicContact CG-CD1 3.15Å; F366-I498 HydrophobicContact CG-CG1 3.69Å; F366-I498 HydrophobicContact CZ-CD1 4.03Å; F366-I498 HydrophobicContact CZ-CG1 3.56Å
367L84.7Confident70.3Confident3 Ų344 Ų442%0.01624%0.244CC..EExtended strand (participates in β ladder)trans-118.1121.7-178.8-59175.9000109.8A2 F349 L350 L365 Y407 F411A2-L367 HydrophobicContact CB-CD1 3.56Å; F349-L367 CarbonylContact C-O 3.59Å; F349-L367 WeakPolarHBondContact CA-O 3.43Å; F349-L367 WeakPolarHBondContact CB-O 3.18Å; L350-L367 HydrophobicContact CB-CB 4.44Å; L350-L367 HydrophobicContact CD2-CD1 4.38Å; L350-L367 PolarHBondContact N-O 2.96Å; L350-L367 PolarHBondContact O-N 3.48Å; L365-L367 HydrophobicContact CD1-CD2 4.19Å; L365-L367 HydrophobicContact CD2-CD1 4.21Å; L365-L367 HydrophobicContact CD2-CD2 4.21Å; L365-L367 HydrophobicContact CD2-CG 4.28Å; L365-L367 HydrophobicContact CG-CD2 4.05Å; L365-L367 HydrophobicContact CG-CG 4.12Å; L367-Y407 HydrophobicContact CD1-CE1 4.25Å; L367-F411 HydrophobicContact CD2-CD2 4.37Å; L367-F411 HydrophobicContact CD2-CE2 3.58Å; L367-F411 HydrophobicContact CD2-CZ 4.02Å
368T77.3Confident69.5Low56 Ų5644.7 Ų44.734%0.34425%0.249SC..EExtended strand (participates in β ladder)trans-90.2151.2177.760.20000112.4F366 N370 N371F366-T368 HydrophobicContact CD1-CG2 4.03Å; F366-T368 HydrophobicContact CE1-CG2 3.5Å; F366-T368 VanDerWaalsContact CE1-CG2 3.5Å; F366-T368 HydrophobicContact CZ-CG2 4.26Å; T368-N370 PolarHBondContact O-N 3.49Å; T368-N371 WeakPolarHBondContact O-CB 3.07Å; T368-N371 PolarHBondContact O-N 3.25Å; T368-N371 VanDerWaalsContact O-N 3.15Å
369G59Low68.6Low27 Ų2748.3 Ų48.328%0.27827%0.272SS..THydrogen-bonded Turntrans-67-14.9-175.100000115.3H348 N371H348-G369 WeakPolarHBondContact O-CA 3.49Å; H348-G369 PolarHBondContact O-N 3.38Å; G369-N371 VanDerWaalsContact C-N 3.26Å; G369-N371 PolarHBondContact O-N 3.03Å
370N53.8Low67.8Low127 Ų12744.9 Ų44.968%0.67926%0.256SS*.THydrogen-bonded Turntrans-71.6-21.3173.4-77.9-14.6000112.7T368 K372T368-N370 PolarHBondContact O-N 3.49Å; N370-K372 PolarHBondContact O-N 3.32Å; N370-K372 VanDerWaalsContact O-N 3.07Å
371N52.2Low67Low61 Ų6147 Ų4733%0.32627%0.27SS..SBendtrans-68.3107.4163.9-72.7-20.9000106.5T368 G369 M373 A374T368-N371 WeakPolarHBondContact O-CB 3.07Å; T368-N371 PolarHBondContact O-N 3.25Å; T368-N371 VanDerWaalsContact O-N 3.15Å; G369-N371 VanDerWaalsContact C-N 3.26Å; G369-N371 PolarHBondContact O-N 3.03Å; N371-M373 PolarHBondContact O-N 3.42Å; N371-A374 PolarHBondContact O-N 3.47Å
372K48.8Very low66.6Low217 Ų21746 Ų4694%0.94327%0.265SS*.THydrogen-bonded Turntrans-51.85179.4-69-179.7175.61780115.8N370N370-K372 PolarHBondContact O-N 3.32Å; N370-K372 VanDerWaalsContact O-N 3.07Å
373M47.7Very low66.4Low92 Ų9247.1 Ų47.145%0.45327%0.27SS..THydrogen-bonded Turntrans-113.8-4.3176.9-62.7-150.2-167.800114.4N371 A375 Y407 W410N371-M373 PolarHBondContact O-N 3.42Å; M373-A375 PolarHBondContact O-N 3.14Å; M373-Y407 HydrophobicContact CB-CE2 4.04Å; M373-Y407 HydrophobicContact SD-CD2 4.38Å; M373-Y407 HydrophobicContact SD-CE2 3.96Å; M373-W410 HydrophobicContact CE-CH2 3.78Å; M373-W410 HydrophobicContact CE-CZ2 3.75Å; M373-W410 HydrophobicContact CE-CZ3 4.3Å; M373-W410 HydrophobicContact SD-CE3 4.48Å; M373-W410 HydrophobicContact SD-CH2 4.09Å; M373-W410 HydrophobicContact SD-CZ3 4.05Å
374A47.1Very low66.2Low25 Ų2547.6 Ų47.621%0.20727%0.274CS..SBendtrans-90.770.1177.500000111.4N371N371-A374 PolarHBondContact O-N 3.47Å
375A47.7Very low65.9Low43 Ų4348 Ų4836%0.35528%0.275SS..  trans159.8133.6149.300000109.5M373M373-A375 PolarHBondContact O-N 3.14Å
376V53.3Low65.2Low98 Ų9849.2 Ų49.259%0.59428%0.283SS*.  -15276.790.6-1700000107.1
377L63.4Low64.5Low15 Ų1551 Ų518%0.07930%0.304CS..SBendtrans-57.3139.4145.8-78.1175.9000105.6L3 L5 L335 Y344 L382L3-L377 HydrophobicContact CD1-CD1 4.2Å; L5-L377 HydrophobicContact CD1-CD2 3.55Å; L5-L377 HydrophobicContact CD2-CD2 3.79Å; L5-L377 HydrophobicContact CG-CD2 3.8Å; L335-L377 HydrophobicContact CD1-CD1 3.89Å; Y344-L377 HydrophobicContact CD1-CB 4.13Å; Y344-L377 HydrophobicContact CD1-CD1 3.57Å; Y344-L377 HydrophobicContact CD1-CG 4.49Å; Y344-L377 HydrophobicContact CD2-CD1 3.96Å; Y344-L377 HydrophobicContact CE1-CB 3.55Å; Y344-L377 HydrophobicContact CE1-CD1 3.87Å; Y344-L377 HydrophobicContact CE1-CG 4.32Å; Y344-L377 HydrophobicContact CE2-CB 4.41Å; Y344-L377 HydrophobicContact CE2-CD1 4.25Å; Y344-L377 HydrophobicContact CG-CD1 3.6Å; L377-L382 HydrophobicContact CB-CD1 4.03Å; L377-L382 HydrophobicContact CD1-CD1 4.34Å; L377-L382 HydrophobicContact CD2-CD1 4.31Å; L377-L382 HydrophobicContact CG-CD1 4.46Å
378P63.4Low64.3Low19 Ų1951.8 Ų51.812%0.12331%0.309CS..  trans-46.1131.5-178.4-26.932.2000109.2L5 S380 L382 Y399L5-P378 HydrophobicContact CD1-CG 4.36Å; P378-S380 WeakPolarHBondContact CB-OG 3.47Å; P378-S380 PolarHBondContact O-N 2.85Å; P378-L382 HydrophobicContact CB-CD2 4.19Å; P378-L382 HydrophobicContact CG-CD2 4.18Å; P378-Y399 HydrophobicContact CG-CE2 4.29Å
379P60.6Low64.7Low80 Ų8050.5 Ų50.552%0.51930%0.3SS..SBendtrans-63.3-14.6179.826.4-33.8000110.8K330K330-P379 WeakPolarHBondContact CD-O 3.36Å; K330-P379 VanDerWaalsContact CE-O 3.25Å; K330-P379 WeakPolarHBondContact CE-O 3.2Å; K330-P379 PolarHBondContact NZ-O 2.94Å
380S64.2Low65.9Low19 Ų1949.3 Ų49.313%0.13329%0.288CS..SBendtrans-61.5157.6176.839.70000113.5P378 L382 D392 S394P378-S380 WeakPolarHBondContact CB-OG 3.47Å; P378-S380 PolarHBondContact O-N 2.85Å; S380-L382 PolarHBondContact O-N 2.71Å; S380-L382 VanDerWaalsContact O-N 3.15Å; S380-D392 WeakPolarHBondContact CB-OD1 3.5Å; S380-D392 PolarHBondContact OG-OD1 2.94Å; S380-D392 PolarHBondContact OG-OD2 2.92Å; S380-S394 VanDerWaalsContact CB-CB 3.48Å; S380-S394 VanDerWaalsContact CB-OG 3.22Å; S380-S394 WeakPolarHBondContact CB-OG 3.47Å
381P67.4Low67.3Low52 Ų5244.3 Ų44.334%0.33826%0.261SS..PPolyproline II helixtrans-60118.2173.125.8-33.9000109.9C393P381-C393 PolarHBondContact O-N 2.81Å
382L75.9Confident68.7Low14 Ų1441.8 Ų41.87%0.07325%0.247CC..EExtended strand (participates in β ladder)trans-98.8132.2177.5-62.2178.4000109.3T333 L377 P378 S380 I390 D392T333-L382 HydrophobicContact CG2-CB 4.12Å; T333-L382 WeakPolarHBondContact CG2-O 3.46Å; L377-L382 HydrophobicContact CB-CD1 4.03Å; L377-L382 HydrophobicContact CD1-CD1 4.34Å; L377-L382 HydrophobicContact CD2-CD1 4.31Å; L377-L382 HydrophobicContact CG-CD1 4.46Å; P378-L382 HydrophobicContact CB-CD2 4.19Å; P378-L382 HydrophobicContact CG-CD2 4.18Å; S380-L382 PolarHBondContact O-N 2.71Å; S380-L382 VanDerWaalsContact O-N 3.15Å; L382-I390 HydrophobicContact CB-CG2 3.73Å; L382-I390 HydrophobicContact CD1-CG2 4.25Å; L382-I390 HydrophobicContact CD2-CG2 3.87Å; L382-I390 HydrophobicContact CG-CG2 4.15Å; L382-D392 HydrophobicContact CD2-CB 3.95Å
383Q78.5Confident69.8Low23 Ų2333 Ų3311%0.10721%0.212CC..EExtended strand (participates in β ladder)trans-108.4124.1175.5-178.3174.42.100109.8N260 L385 I390 L391N260-Q383 VanDerWaalsContact CA-NE2 3.31Å; N260-Q383 PolarHBondContact OD1-NE2 3.21Å; Q383-L385 PolarHBondContact O-N 2.72Å; Q383-I390 WeakPolarHBondContact O-CA 3.03Å; Q383-L391 HydrophobicContact CB-CB 4.37Å; Q383-L391 PolarHBondContact N-O 3.21Å; Q383-L391 PolarHBondContact O-N 2.69Å
384S82.2Confident71Confident11 Ų1131.4 Ų31.48%0.07721%0.21CC..EExtended strand (participates in β ladder)trans-76.5124.3175.6-171.70000110.4N260 F334 N336N260-S384 PolarHBondContact ND2-O 3.35Å; N260-S384 PolarHBondContact OD1-O 3.3Å; N260-S384 VanDerWaalsContact OD1-O 3.13Å; F334-S384 WeakPolarHBondContact O-CB 3.32Å; N336-S384 PolarHBondContact N-OG 2.72Å
385L81Confident72.3Confident17 Ų1731.7 Ų31.79%0.08921%0.211CC..  trans-105.3164.1173.5-64.8166.8000110I47 Q383 L389 L391 V398I47-L385 HydrophobicContact CD1-CD1 3.36Å; I47-L385 HydrophobicContact CD1-CD2 4.34Å; I47-L385 HydrophobicContact CD1-CG 4.48Å; Q383-L385 PolarHBondContact O-N 2.72Å; L385-L389 HydrophobicContact CB-CB 3.78Å; L385-L389 WeakPolarHBondContact CB-O 3.44Å; L385-L389 HydrophobicContact CD1-CB 4.18Å; L385-L389 PolarHBondContact N-O 3.41Å; L385-L391 HydrophobicContact CD1-CB 3.85Å; L385-L391 HydrophobicContact CG-CB 4.43Å; L385-V398 HydrophobicContact CD1-CG1 4.39Å
386P73.6Confident73.7Confident26 Ų2630.2 Ų30.217%0.16920%0.2CC..G310 helixtrans-56152.1171.8-25.135.2000112.8S212S212-P386 WeakPolarHBondContact OG-CB 3.3Å
387G72.4Confident75.1Confident46 Ų4628.5 Ų28.547%0.47418%0.184SC..G310 helixtrans70.432.1173.600000115.6L389 R400G387-L389 PolarHBondContact O-N 2.88Å; G387-R400 PolarHBondContact O-NH1 2.86Å
388S81.9Confident76.1Confident19 Ų1927.8 Ų27.813%0.13318%0.181CC..G310 helixtrans6126.1-179-52.80000114.9N336 L337 A401N336-S388 WeakPolarHBondContact O-CA 3.29Å; N336-S388 WeakPolarHBondContact O-CB 3.45Å; N336-S388 PolarHBondContact O-OG 3.2Å; L337-S388 WeakPolarHBondContact CA-OG 3.39Å; S388-A401 PolarHBondContact O-N 2.88Å
389L84.3Confident77.2Confident29 Ų2928.7 Ų28.715%0.15218%0.182CC..EExtended strand (participates in β ladder)trans-86.7145.6171.7-65.4176000110.2H8 L385 G387 V398 Y399 R400H8-L389 HydrophobicContact CB-CD2 4.32Å; L385-L389 HydrophobicContact CB-CB 3.78Å; L385-L389 WeakPolarHBondContact CB-O 3.44Å; L385-L389 HydrophobicContact CD1-CB 4.18Å; L385-L389 PolarHBondContact N-O 3.41Å; G387-L389 PolarHBondContact O-N 2.88Å; L389-V398 HydrophobicContact CB-CG1 4.25Å; L389-V398 HydrophobicContact CD2-CG1 4.19Å; L389-Y399 CarbonylContact C-O 3.55Å; L389-Y399 VanDerWaalsContact CA-O 3.27Å; L389-Y399 WeakPolarHBondContact CA-O 3.32Å; L389-R400 HydrophobicContact CD2-CB 4.07Å
390I85.4Confident78.4Confident3 Ų329.7 Ų29.72%0.01518%0.175CC..EExtended strand (participates in β ladder)trans-131.5122.9179-54.6-178.6000107.7L5 L335 L382 Q383 V398 Y399 A401L5-I390 HydrophobicContact CD2-CD1 4Å; L335-I390 HydrophobicContact CB-CD1 4.5Å; L335-I390 HydrophobicContact CD1-CD1 3.66Å; L335-I390 HydrophobicContact CD2-CD1 3.67Å; L335-I390 HydrophobicContact CD2-CG1 3.98Å; L335-I390 HydrophobicContact CD2-CG2 4.21Å; L335-I390 HydrophobicContact CG-CD1 4.14Å; L382-I390 HydrophobicContact CB-CG2 3.73Å; L382-I390 HydrophobicContact CD1-CG2 4.25Å; L382-I390 HydrophobicContact CD2-CG2 3.87Å; L382-I390 HydrophobicContact CG-CG2 4.15Å; Q383-I390 WeakPolarHBondContact O-CA 3.03Å; I390-V398 CarbonylContact O-C 3.41Å; I390-V398 WeakPolarHBondContact O-CA 3.43Å; I390-Y399 PolarHBondContact N-O 2.89Å; I390-Y399 PolarHBondContact O-N 3Å; I390-A401 HydrophobicContact CD1-CB 3.52Å; I390-A401 HydrophobicContact CG1-CB 4.15Å
391L81.7Confident79.5Confident22 Ų2229 Ų2912%0.11517%0.171CC..EExtended strand (participates in β ladder)trans-92121.2170.3176.965.7000109.2Q383 L385 C393 V398Q383-L391 HydrophobicContact CB-CB 4.37Å; Q383-L391 PolarHBondContact N-O 3.21Å; Q383-L391 PolarHBondContact O-N 2.69Å; L385-L391 HydrophobicContact CD1-CB 3.85Å; L385-L391 HydrophobicContact CG-CB 4.43Å; L391-C393 PolarHBondContact O-N 2.89Å; L391-V398 HydrophobicContact CD1-CG2 3.79Å
392D82.4Confident80.3Confident7 Ų728.7 Ų28.74%0.03717%0.168CC..EExtended strand (participates in β ladder)trans-85.899.7164.6175.40.7000108.4S380 L382 S394 S395 G396 K397 Y399S380-D392 WeakPolarHBondContact CB-OD1 3.5Å; S380-D392 PolarHBondContact OG-OD1 2.94Å; S380-D392 PolarHBondContact OG-OD2 2.92Å; L382-D392 HydrophobicContact CD2-CB 3.95Å; D392-S394 PolarHBondContact O-N 3.16Å; D392-S394 PolarHBondContact OD1-N 3.46Å; D392-S395 WeakPolarHBondContact CB-OG 3.15Å; D392-S395 PolarHBondContact O-N 3.43Å; D392-S395 PolarHBondContact OD1-N 2.91Å; D392-S395 WeakPolarHBondContact OD2-CB 3.26Å; D392-S395 PolarHBondContact OD2-OG 3.46Å; D392-G396 WeakPolarHBondContact O-CA 3.45Å; D392-G396 PolarHBondContact O-N 2.92Å; D392-K397 PolarHBondContact N-O 3.33Å; D392-Y399 HydrophobicContact CB-CD2 4.48Å; D392-Y399 HydrophobicContact CB-CE2 3.93Å
393C72.1Confident80.7Confident32 Ų3228.9 Ų28.922%0.21617%0.169CC..THydrogen-bonded Turntrans-63.1-25.4-175.9-57.50000112.5H266 P381 L391H266-C393 PolarHBondContact CE1-O 3.31Å; H266-C393 PolarHBondContact NE2-O 3.42Å; P381-C393 PolarHBondContact O-N 2.81Å; L391-C393 PolarHBondContact O-N 2.89Å
394S72.4Confident81.1Confident59 Ų5929.3 Ų29.341%0.41317%0.172SC..THydrogen-bonded Turntrans-77.2-37.6179.6-62.90000112.9S380 D392S380-S394 VanDerWaalsContact CB-CB 3.48Å; S380-S394 VanDerWaalsContact CB-OG 3.22Å; S380-S394 WeakPolarHBondContact CB-OG 3.47Å; D392-S394 PolarHBondContact O-N 3.16Å; D392-S394 PolarHBondContact OD1-N 3.46Å
395S74.6Confident81.2Confident32 Ų3230.7 Ų30.722%0.22418%0.177CC..THydrogen-bonded Turntrans-98.3-14-178.869.20000113.9D392 K397D392-S395 WeakPolarHBondContact CB-OG 3.15Å; D392-S395 PolarHBondContact O-N 3.43Å; D392-S395 PolarHBondContact OD1-N 2.91Å; D392-S395 WeakPolarHBondContact OD2-CB 3.26Å; D392-S395 PolarHBondContact OD2-OG 3.46Å; S395-K397 PolarHBondContact O-N 3.39Å; S395-K397 WeakPolarHBondContact OG-CB 3.49Å; S395-K397 WeakPolarHBondContact OG-CG 3.35Å; S395-K397 PolarHBondContact OG-N 2.9Å
396G76.3Confident81.3Confident11 Ų1134.1 Ų34.111%0.11320%0.203CC..THydrogen-bonded Turntrans71.712-171.900000113.2V11 D392V11-G396 WeakPolarHBondContact CG2-O 3.3Å; D392-G396 WeakPolarHBondContact O-CA 3.45Å; D392-G396 PolarHBondContact O-N 2.92Å
397K83.4Confident81.9Confident62 Ų6233.4 Ų33.427%0.2720%0.197SC..EExtended strand (participates in β ladder)trans-87.9137-178-64.1177.3-173.8-132.70110.7F9 D10 D392 S395 Y399F9-K397 WeakPolarHBondContact O-CA 3.5Å; D10-K397 HydrophobicContact CB-CG 4.17Å; D10-K397 WeakPolarHBondContact OD2-CE 3.27Å; D10-K397 IonicContact OD2-NZ 3.45Å; D10-K397 PolarHBondContact OD2-NZ 2.87Å; D392-K397 PolarHBondContact N-O 3.33Å; S395-K397 PolarHBondContact O-N 3.39Å; S395-K397 WeakPolarHBondContact OG-CB 3.49Å; S395-K397 WeakPolarHBondContact OG-CG 3.35Å; S395-K397 PolarHBondContact OG-N 2.9Å; K397-Y399 HydrophobicContact CB-CD2 4.41Å; K397-Y399 HydrophobicContact CB-CE1 4.41Å; K397-Y399 HydrophobicContact CB-CE2 3.68Å; K397-Y399 WeakPolarHBondContact CD-OH 3.34Å
398V85.1Confident82.6Confident1 Ų131.2 Ų31.21%0.00617%0.174CC..EExtended strand (participates in β ladder)trans-104121.8170.5-176.30000108.1H8 F9 I47 I53 L385 L389 I390 L391H8-V398 WeakPolarHBondContact CA-O 3.4Å; H8-V398 HydrophobicContact CB-CG1 4.45Å; H8-V398 WeakPolarHBondContact CB-O 3.28Å; H8-V398 PolarHBondContact N-O 3.44Å; F9-V398 HydrophobicContact CB-CB 4.18Å; F9-V398 HydrophobicContact CB-CG2 4.48Å; F9-V398 HydrophobicContact CD1-CG2 4.22Å; F9-V398 PolarHBondContact N-O 3.48Å; F9-V398 VanDerWaalsContact N-O 3.11Å; F9-V398 PolarHBondContact O-N 3.04Å; I47-V398 HydrophobicContact CD1-CG2 4.16Å; I53-V398 HydrophobicContact CD1-CG2 4.33Å; L385-V398 HydrophobicContact CD1-CG1 4.39Å; L389-V398 HydrophobicContact CB-CG1 4.25Å; L389-V398 HydrophobicContact CD2-CG1 4.19Å; I390-V398 CarbonylContact O-C 3.41Å; I390-V398 WeakPolarHBondContact O-CA 3.43Å; L391-V398 HydrophobicContact CD1-CG2 3.79Å
399Y85.9Confident82.8Confident37 Ų3731.1 Ų31.115%0.14517%0.172CC..EExtended strand (participates in β ladder)trans-108.1146.9176.7-58.4-80.4000110.6L5 V6 A7 P378 L389 I390 D392 K397L5-Y399 HydrophobicContact CB-CD1 3.97Å; L5-Y399 HydrophobicContact CB-CG 4.17Å; L5-Y399 HydrophobicContact CD1-CD1 4.46Å; L5-Y399 HydrophobicContact CD1-CD2 4.32Å; L5-Y399 HydrophobicContact CD1-CG 4.18Å; V6-Y399 CarbonylContact O-C 3.59Å; V6-Y399 WeakPolarHBondContact O-CA 3.38Å; A7-Y399 HydrophobicContact CB-CD1 4.3Å; A7-Y399 HydrophobicContact CB-CE1 4.33Å; P378-Y399 HydrophobicContact CG-CE2 4.29Å; L389-Y399 CarbonylContact C-O 3.55Å; L389-Y399 VanDerWaalsContact CA-O 3.27Å; L389-Y399 WeakPolarHBondContact CA-O 3.32Å; I390-Y399 PolarHBondContact N-O 2.89Å; I390-Y399 PolarHBondContact O-N 3Å; D392-Y399 HydrophobicContact CB-CD2 4.48Å; D392-Y399 HydrophobicContact CB-CE2 3.93Å; K397-Y399 HydrophobicContact CB-CD2 4.41Å; K397-Y399 HydrophobicContact CB-CE1 4.41Å; K397-Y399 HydrophobicContact CB-CE2 3.68Å; K397-Y399 WeakPolarHBondContact CD-OH 3.34Å
400R86.3Confident83Confident101 Ų10135.6 Ų35.638%0.38119%0.187SC..EExtended strand (participates in β ladder)trans-93120.8159.8-177.4174-69.1-74.4-4.6108.2V6 G387 L389 T402V6-R400 PolarHBondContact N-O 3.42Å; V6-R400 PolarHBondContact O-N 3.31Å; G387-R400 PolarHBondContact O-NH1 2.86Å; L389-R400 HydrophobicContact CD2-CB 4.07Å; R400-T402 HydrophobicContact CG-CG2 4.34Å
401A86.1Confident83.1Confident4 Ų435.4 Ų35.43%0.03319%0.186CC..EExtended strand (participates in β ladder)trans-90130.7175.100000110.5L5 L337 S388 I390L5-A401 HydrophobicContact CD2-CB 3.84Å; L337-A401 HydrophobicContact CD2-CB 3.54Å; S388-A401 PolarHBondContact O-N 2.88Å; I390-A401 HydrophobicContact CD1-CB 3.52Å; I390-A401 HydrophobicContact CG1-CB 4.15Å
402T84.6Confident83.3Confident46 Ų4634.5 Ų34.528%0.28218%0.181SC..EExtended strand (participates in β ladder)trans-135.4157.2177.151.60000108.8L3 R4 R400L3-T402 WeakPolarHBondContact CA-O 3.44Å; R4-T402 PolarHBondContact N-O 3.43Å; R4-T402 PolarHBondContact O-N 2.89Å; R4-T402 PolarHBondContact O-OG1 3.48Å; R400-T402 HydrophobicContact CG-CG2 4.34Å
403L85.5Confident83.5Confident19 Ų1937.8 Ų37.810%0.09919%0.193CC..EExtended strand (participates in β ladder)trans-71.4137.7170-70175000109.7L3 L340 L352 Q405 L408 C428 C432L3-L403 HydrophobicContact CD2-CD2 3.97Å; L340-L403 HydrophobicContact CD1-CD1 3.58Å; L340-L403 HydrophobicContact CD1-CD2 4.48Å; L340-L403 HydrophobicContact CD1-CG 4.43Å; L352-L403 HydrophobicContact CD1-CD2 3.73Å; L403-Q405 PolarHBondContact O-N 3.07Å; L403-L408 HydrophobicContact CB-CD1 4.14Å; L403-L408 HydrophobicContact CD1-CD1 4.32Å; L403-C428 HydrophobicContact CD1-CB 4.19Å; L403-C432 VanDerWaalsContact CB-SG 3.59Å; L403-C432 VanDerWaalsContact CD1-SG 3.54Å
404D85.2Confident84Confident32 Ų3238.9 Ų38.917%0.17120%0.197CC..  trans-86102.6175.7-178.1-5.3000109.7M1 A2 R4 S406 Y407 L408M1-D404 PolarHBondContact N-OD2 3.45Å; M1-D404 WeakPolarHBondContact O-CB 3.25Å; M1-D404 VanDerWaalsContact O-CG 3.29Å; A2-D404 PolarHBondContact O-N 2.87Å; A2-D404 VanDerWaalsContact O-N 3.09Å; R4-D404 HydrophobicContact CB-CB 4.16Å; D404-S406 VanDerWaalsContact C-N 3.26Å; D404-S406 PolarHBondContact O-N 2.84Å; D404-S406 WeakPolarHBondContact OD1-CB 3.31Å; D404-S406 PolarHBondContact OD1-N 2.97Å; D404-S406 VanDerWaalsContact OD1-N 3.07Å; D404-Y407 PolarHBondContact O-N 3.18Å; D404-Y407 PolarHBondContact OD1-N 3.45Å; D404-L408 PolarHBondContact O-N 3.38Å
405Q84Confident83.9Confident40 Ų4039.7 Ų39.719%0.18721%0.207CC..Hα-helixtrans-57.7-38.5179.2-62.8-178.4-0.900112.3L403 Y407 L408 L409 C432 D435L403-Q405 PolarHBondContact O-N 3.07Å; Q405-Y407 VanDerWaalsContact C-N 3.3Å; Q405-Y407 PolarHBondContact O-N 2.85Å; Q405-L408 PolarHBondContact O-N 3.02Å; Q405-L409 WeakPolarHBondContact O-CB 3.32Å; Q405-L409 WeakPolarHBondContact O-CD1 3.26Å; Q405-L409 WeakPolarHBondContact O-CG 3.26Å; Q405-L409 PolarHBondContact O-N 3.34Å; Q405-C432 HydrophobicContact CG-CB 4.02Å; Q405-C432 PolarHBondContact NE2-O 3.01Å; Q405-D435 PolarHBondContact NE2-OD2 3.07Å
406S85Confident84.1Confident89 Ų8942.2 Ų42.262%0.62223%0.23SC*.Hα-helixtrans-66.1-36.5-178.4-61.30000111.5D404 W410D404-S406 VanDerWaalsContact C-N 3.26Å; D404-S406 PolarHBondContact O-N 2.84Å; D404-S406 WeakPolarHBondContact OD1-CB 3.31Å; D404-S406 PolarHBondContact OD1-N 2.97Å; D404-S406 VanDerWaalsContact OD1-N 3.07Å; S406-W410 WeakPolarHBondContact O-CB 3.39Å; S406-W410 PolarHBondContact O-N 2.97Å
407Y85.3Confident84.3Confident11 Ų1142.8 Ų42.84%0.04323%0.23CC..Hα-helixtrans-71.3-43.5175.3178.8-91.2000112.6M1 A2 L367 M373 D404 Q405 L409 W410 F411M1-Y407 WeakPolarHBondContact O-CB 3.46Å; A2-Y407 HydrophobicContact CB-CD1 3.85Å; A2-Y407 HydrophobicContact CB-CE1 3.67Å; L367-Y407 HydrophobicContact CD1-CE1 4.25Å; M373-Y407 HydrophobicContact CB-CE2 4.04Å; M373-Y407 HydrophobicContact SD-CD2 4.38Å; M373-Y407 HydrophobicContact SD-CE2 3.96Å; D404-Y407 PolarHBondContact O-N 3.18Å; D404-Y407 PolarHBondContact OD1-N 3.45Å; Q405-Y407 VanDerWaalsContact C-N 3.3Å; Q405-Y407 PolarHBondContact O-N 2.85Å; Y407-L409 VanDerWaalsContact C-N 3.29Å; Y407-L409 PolarHBondContact O-N 2.67Å; Y407-W410 HydrophobicContact CD2-CE3 4.21Å; Y407-W410 HydrophobicContact CE2-CE3 4.06Å; Y407-W410 HydrophobicContact CE2-CZ3 4.04Å; Y407-W410 PolarHBondContact O-N 3.4Å; Y407-F411 HydrophobicContact CE1-CB 4.48Å; Y407-F411 HydrophobicContact CE1-CD2 4.24Å; Y407-F411 VanDerWaalsContact O-CB 3.28Å; Y407-F411 WeakPolarHBondContact O-CB 3.44Å; Y407-F411 PolarHBondContact O-N 3.1Å
408L87.4Confident84.4Confident0 Ų044 Ų440%024%0.239CC..Hα-helixtrans-61.5-40.5178-69.5173.1000111.2L365 L403 D404 Q405 F411 L412 C428 A429L365-L408 HydrophobicContact CD2-CD2 4.18Å; L403-L408 HydrophobicContact CB-CD1 4.14Å; L403-L408 HydrophobicContact CD1-CD1 4.32Å; D404-L408 PolarHBondContact O-N 3.38Å; Q405-L408 PolarHBondContact O-N 3.02Å; L408-F411 WeakPolarHBondContact O-CB 3.27Å; L408-F411 PolarHBondContact O-N 2.83Å; L408-L412 WeakPolarHBondContact O-CG 3.47Å; L408-L412 PolarHBondContact O-N 3.16Å; L408-C428 HydrophobicContact CD1-CB 3.88Å; L408-C428 HydrophobicContact CD2-CB 4.01Å; L408-A429 HydrophobicContact CB-CB 4.34Å; L408-A429 HydrophobicContact CD1-CB 4.39Å
409L86.9Confident84.5Confident16 Ų1644.7 Ų44.78%0.08424%0.242CC..Hα-helixtrans-63.1-53.3173.1-67.2162.7000110.3Q405 Y407 F411 L412 W413 Q442 I443Q405-L409 WeakPolarHBondContact O-CB 3.32Å; Q405-L409 WeakPolarHBondContact O-CD1 3.26Å; Q405-L409 WeakPolarHBondContact O-CG 3.26Å; Q405-L409 PolarHBondContact O-N 3.34Å; Y407-L409 VanDerWaalsContact C-N 3.29Å; Y407-L409 PolarHBondContact O-N 2.67Å; L409-F411 PolarHBondContact O-N 2.87Å; L409-F411 VanDerWaalsContact O-N 3.13Å; L409-L412 WeakPolarHBondContact O-CB 3.28Å; L409-L412 PolarHBondContact O-N 2.88Å; L409-W413 HydrophobicContact CB-CE3 4.38Å; L409-W413 HydrophobicContact CB-CZ3 4.02Å; L409-W413 HydrophobicContact CD2-CZ3 3.84Å; L409-W413 PolarHBondContact O-N 2.8Å; L409-W413 VanDerWaalsContact O-N 3.1Å; L409-Q442 HydrophobicContact CD1-CB 4.36Å; L409-Q442 HydrophobicContact CD2-CB 3.99Å; L409-I443 HydrophobicContact CD2-CG1 3.68Å
410W87.1Confident84.5Confident123 Ų12343.3 Ų43.347%0.46624%0.238SC..Hα-helixtrans-52.7-39.3175.517582.9000113.1M373 S406 Y407 W413 N414M373-W410 HydrophobicContact CE-CH2 3.78Å; M373-W410 HydrophobicContact CE-CZ2 3.75Å; M373-W410 HydrophobicContact CE-CZ3 4.3Å; M373-W410 HydrophobicContact SD-CE3 4.48Å; M373-W410 HydrophobicContact SD-CH2 4.09Å; M373-W410 HydrophobicContact SD-CZ3 4.05Å; S406-W410 WeakPolarHBondContact O-CB 3.39Å; S406-W410 PolarHBondContact O-N 2.97Å; Y407-W410 HydrophobicContact CD2-CE3 4.21Å; Y407-W410 HydrophobicContact CE2-CE3 4.06Å; Y407-W410 HydrophobicContact CE2-CZ3 4.04Å; Y407-W410 PolarHBondContact O-N 3.4Å; W410-W413 PolarHBondContact O-N 2.76Å; W410-N414 PolarHBondContact O-N 2.66Å
411F86.9Confident84.6Confident0 Ų040.4 Ų40.40%023%0.229CC..Hα-helixtrans-64.3-44.7177.9-171.2-85.1000111.8L365 L367 Y407 L408 L409 W413 N414 H417 E421 A425L365-F411 HydrophobicContact CD1-CE1 4.01Å; L365-F411 HydrophobicContact CD1-CZ 4.02Å; L367-F411 HydrophobicContact CD2-CD2 4.37Å; L367-F411 HydrophobicContact CD2-CE2 3.58Å; L367-F411 HydrophobicContact CD2-CZ 4.02Å; Y407-F411 HydrophobicContact CE1-CB 4.48Å; Y407-F411 HydrophobicContact CE1-CD2 4.24Å; Y407-F411 VanDerWaalsContact O-CB 3.28Å; Y407-F411 WeakPolarHBondContact O-CB 3.44Å; Y407-F411 PolarHBondContact O-N 3.1Å; L408-F411 WeakPolarHBondContact O-CB 3.27Å; L408-F411 PolarHBondContact O-N 2.83Å; L409-F411 PolarHBondContact O-N 2.87Å; L409-F411 VanDerWaalsContact O-N 3.13Å; F411-W413 VanDerWaalsContact C-N 3.33Å; F411-W413 PolarHBondContact O-N 3.46Å; F411-N414 PolarHBondContact O-N 3.24Å; F411-H417 AromaticContact CD2-NE2 3.77Å; F411-H417 HydrophobicContact CE1-CB 4.41Å; F411-H417 AromaticContact CE1-CG 3.94Å; F411-H417 AromaticContact CE2-CE1 3.38Å; F411-H417 WeakPolarHBondContact CE2-CE1 3.32Å; F411-H417 AromaticContact CE2-ND1 3.82Å; F411-H417 AromaticContact CE2-NE2 3.6Å; F411-H417 AromaticContact CZ-CE1 3.59Å; F411-H417 AromaticContact CZ-CG 3.8Å; F411-H417 AromaticContact CZ-ND1 3.5Å; F411-H417 AromaticContact CZ-NE2 3.93Å; F411-H417 PolarHBondContact O-CD2 2.65Å; F411-H417 VanDerWaalsContact O-CD2 3.31Å; F411-E421 HydrophobicContact CE1-CB 3.89Å; F411-E421 HydrophobicContact CZ-CB 3.98Å; F411-A425 HydrophobicContact CD1-CB 3.6Å; F411-A425 HydrophobicContact CE1-CB 4.02Å
412L87.3Confident84.7Confident2 Ų241.2 Ų41.21%0.0123%0.231CC..Hα-helixtrans-61.3-39176.3-72.9172.8000112.6L408 L409 N414 K422 A425 L426 W446L408-L412 WeakPolarHBondContact O-CG 3.47Å; L408-L412 PolarHBondContact O-N 3.16Å; L409-L412 WeakPolarHBondContact O-CB 3.28Å; L409-L412 PolarHBondContact O-N 2.88Å; L412-N414 PolarHBondContact O-N 3.25Å; L412-K422 HydrophobicContact CD2-CB 4.48Å; L412-K422 WeakPolarHBondContact CD2-O 3.29Å; L412-A425 HydrophobicContact CD2-CB 3.69Å; L412-A425 HydrophobicContact CG-CB 4.06Å; L412-L426 HydrophobicContact CD2-CB 4.37Å; L412-W446 VanDerWaalsContact C-NE1 3.33Å; L412-W446 HydrophobicContact CB-CD2 4.09Å; L412-W446 HydrophobicContact CB-CG 4.34Å; L412-W446 HydrophobicContact CB-CZ2 4.19Å; L412-W446 HydrophobicContact CD1-CE3 4.33Å; L412-W446 HydrophobicContact CD1-CZ3 4.45Å; L412-W446 HydrophobicContact CD2-CH2 3.77Å; L412-W446 HydrophobicContact CD2-CZ2 3.79Å; L412-W446 HydrophobicContact CD2-CZ3 4.21Å; L412-W446 PolarHBondContact O-NE1 3.05Å
413W86.3Confident85Confident77 Ų7739 Ų3929%0.29222%0.218SC..Hα-helixtrans-71.4-12.4179.4-100.3-89.6000114.5L409 W410 F411 A415 Q442 W446L409-W413 HydrophobicContact CB-CE3 4.38Å; L409-W413 HydrophobicContact CB-CZ3 4.02Å; L409-W413 HydrophobicContact CD2-CZ3 3.84Å; L409-W413 PolarHBondContact O-N 2.8Å; L409-W413 VanDerWaalsContact O-N 3.1Å; W410-W413 PolarHBondContact O-N 2.76Å; F411-W413 VanDerWaalsContact C-N 3.33Å; F411-W413 PolarHBondContact O-N 3.46Å; W413-A415 PolarHBondContact O-N 3.34Å; W413-Q442 HydrophobicContact CH2-CB 3.95Å; W413-Q442 WeakPolarHBondContact CH2-O 3.3Å; W413-Q442 HydrophobicContact CZ3-CB 4.45Å; W413-W446 HydrophobicContact CD2-CB 4.2Å; W413-W446 AromaticContact CD2-CD1 3.91Å; W413-W446 HydrophobicContact CD2-CG 4.39Å; W413-W446 HydrophobicContact CE3-CB 3.99Å; W413-W446 HydrophobicContact CE3-CG 4.22Å; W413-W446 HydrophobicContact CH2-CB 3.75Å; W413-W446 HydrophobicContact CZ2-CB 3.82Å; W413-W446 HydrophobicContact CZ3-CB 3.79Å; W413-W446 HydrophobicContact CZ3-CG 4.44Å
414N83.6Confident85.2Confident55 Ų5538.1 Ų38.129%0.29421%0.213SC..  trans-83.6107.8178.4179.29.9000110.7W410 F411 L412 A416 H417W410-N414 PolarHBondContact O-N 2.66Å; F411-N414 PolarHBondContact O-N 3.24Å; L412-N414 PolarHBondContact O-N 3.25Å; N414-A416 PolarHBondContact O-N 2.86Å; N414-A416 VanDerWaalsContact O-N 3.09Å; N414-A416 WeakPolarHBondContact OD1-CB 3.22Å; N414-A416 PolarHBondContact OD1-N 3.47Å; N414-H417 PolarHBondContact ND2-NE2 3.25Å; N414-H417 PolarHBondContact O-CD2 3.1Å; N414-H417 PolarHBondContact O-N 3.14Å
415A68.4Low85.4Confident76 Ų7636.6 Ų36.663%0.62821%0.205SC*.THydrogen-bonded Turntrans-63.1-15.5-176.500000114.8W413 H417W413-A415 PolarHBondContact O-N 3.34Å; A415-H417 PolarHBondContact O-N 3.24Å
416A78.7Confident85.8Confident85 Ų8534.7 Ų34.770%0.70220%0.196SC*.THydrogen-bonded Turntrans-74.9-10.1-179.200000114.2N414N414-A416 PolarHBondContact O-N 2.86Å; N414-A416 VanDerWaalsContact O-N 3.09Å; N414-A416 WeakPolarHBondContact OD1-CB 3.22Å; N414-A416 PolarHBondContact OD1-N 3.47Å
417H81.1Confident86Confident23 Ų2330.7 Ų30.711%0.10617%0.168CC..SBendtrans-81149.4-177.6-70.4-60.2000113.3F411 N414 A415 E421 K422F411-H417 AromaticContact CD2-NE2 3.77Å; F411-H417 HydrophobicContact CE1-CB 4.41Å; F411-H417 AromaticContact CE1-CG 3.94Å; F411-H417 AromaticContact CE2-CE1 3.38Å; F411-H417 WeakPolarHBondContact CE2-CE1 3.32Å; F411-H417 AromaticContact CE2-ND1 3.82Å; F411-H417 AromaticContact CE2-NE2 3.6Å; F411-H417 AromaticContact CZ-CE1 3.59Å; F411-H417 AromaticContact CZ-CG 3.8Å; F411-H417 AromaticContact CZ-ND1 3.5Å; F411-H417 AromaticContact CZ-NE2 3.93Å; F411-H417 PolarHBondContact O-CD2 2.65Å; F411-H417 VanDerWaalsContact O-CD2 3.31Å; N414-H417 PolarHBondContact ND2-NE2 3.25Å; N414-H417 PolarHBondContact O-CD2 3.1Å; N414-H417 PolarHBondContact O-N 3.14Å; A415-H417 PolarHBondContact O-N 3.24Å; H417-E421 WeakPolarHBondContact CA-OE2 3.17Å; H417-E421 HydrophobicContact CB-CB 4.29Å; H417-E421 WeakPolarHBondContact CB-OE2 3.34Å; H417-E421 IonicContact CG-OE2 2.71Å; H417-E421 IonicContact ND1-OE2 2.92Å; H417-E421 PolarHBondContact ND1-OE2 3.15Å; H417-K422 HydrophobicContact CB-CG 4.36Å; H417-K422 WeakPolarHBondContact O-CE 3.35Å; H417-K422 PolarHBondContact O-NZ 2.96Å
418L85.1Confident86.1Confident87 Ų8730.3 Ų30.346%0.45517%0.166SC..  trans-74.6159.8178.5-64.3167.1000111.3C420 E421 K422 P496L418-C420 VanDerWaalsContact C-N 3.29Å; L418-C420 PolarHBondContact O-N 3.48Å; L418-E421 HydrophobicContact CB-CG 4.24Å; L418-E421 PolarHBondContact N-OE2 3.33Å; L418-E421 VanDerWaalsContact N-OE2 3.1Å; L418-E421 WeakPolarHBondContact O-CB 3.4Å; L418-E421 PolarHBondContact O-N 3.23Å; L418-K422 PolarHBondContact O-N 2.95Å; L418-P496 HydrophobicContact CD1-CB 4.5Å; L418-P496 HydrophobicContact CD1-CG 3.4Å; L418-P496 VanDerWaalsContact CD1-CG 3.4Å
419D87.1Confident86.2Confident16 Ų1630.5 Ų30.59%0.08617%0.168CC..Hα-helixtrans-61.7-37.6-178.7-70.9-3.5000112.3E421 K422 M423 H455 S456 F457 W491D419-E421 VanDerWaalsContact C-N 3.33Å; D419-E421 PolarHBondContact O-N 3.32Å; D419-K422 PolarHBondContact O-N 3.46Å; D419-K422 IonicContact OD1-NZ 3.7Å; D419-M423 VanDerWaalsContact O-CB 3.27Å; D419-M423 WeakPolarHBondContact O-CB 3.5Å; D419-M423 PolarHBondContact O-N 3.46Å; D419-H455 WeakPolarHBondContact OD2-CA 3.15Å; D419-H455 PolarHBondContact OD2-N 3.35Å; D419-S456 PolarHBondContact OD2-N 2.87Å; D419-S456 PolarHBondContact OD2-OG 2.69Å; D419-F457 HydrophobicContact CB-CD1 4.42Å; D419-F457 HydrophobicContact CB-CE1 4.1Å; D419-W491 HydrophobicContact CB-CH2 4.44Å
420C86.3Confident86.2Confident8 Ų829.9 Ų29.95%0.05417%0.165CC..Hα-helixtrans-63.2-37174.159.40000112.7L418 A424 W491L418-C420 VanDerWaalsContact C-N 3.29Å; L418-C420 PolarHBondContact O-N 3.48Å; C420-A424 WeakPolarHBondContact O-CB 3.38Å; C420-A424 PolarHBondContact O-N 2.97Å; C420-W491 HydrophobicContact CB-CH2 4.44Å; C420-W491 HydrophobicContact CB-CZ2 3.65Å
421E88.1Confident85.8Confident40 Ų4024.8 Ų24.819%0.18715%0.148CC..Hα-helixtrans-71.1-41.6177.6-62.4-178.4137.400111.1F411 H417 L418 D419 A424 A425F411-E421 HydrophobicContact CE1-CB 3.89Å; F411-E421 HydrophobicContact CZ-CB 3.98Å; H417-E421 WeakPolarHBondContact CA-OE2 3.17Å; H417-E421 HydrophobicContact CB-CB 4.29Å; H417-E421 WeakPolarHBondContact CB-OE2 3.34Å; H417-E421 IonicContact CG-OE2 2.71Å; H417-E421 IonicContact ND1-OE2 2.92Å; H417-E421 PolarHBondContact ND1-OE2 3.15Å; L418-E421 HydrophobicContact CB-CG 4.24Å; L418-E421 PolarHBondContact N-OE2 3.33Å; L418-E421 VanDerWaalsContact N-OE2 3.1Å; L418-E421 WeakPolarHBondContact O-CB 3.4Å; L418-E421 PolarHBondContact O-N 3.23Å; D419-E421 VanDerWaalsContact C-N 3.33Å; D419-E421 PolarHBondContact O-N 3.32Å; E421-A424 PolarHBondContact O-N 3.2Å; E421-A425 VanDerWaalsContact O-CB 3.28Å; E421-A425 WeakPolarHBondContact O-CB 3.04Å; E421-A425 PolarHBondContact O-N 3.23Å
422K89.1Confident85.1Confident20 Ų2025.2 Ų25.29%0.08715%0.151CC..Hα-helixtrans-62.8-43.6174.5-69.3171.2-174.8153.30111.3L412 H417 L418 D419 A425 L426 G453L412-K422 HydrophobicContact CD2-CB 4.48Å; L412-K422 WeakPolarHBondContact CD2-O 3.29Å; H417-K422 HydrophobicContact CB-CG 4.36Å; H417-K422 WeakPolarHBondContact O-CE 3.35Å; H417-K422 PolarHBondContact O-NZ 2.96Å; L418-K422 PolarHBondContact O-N 2.95Å; D419-K422 PolarHBondContact O-N 3.46Å; D419-K422 IonicContact OD1-NZ 3.7Å; K422-A425 PolarHBondContact O-N 2.9Å; K422-L426 VanDerWaalsContact O-CB 3.32Å; K422-L426 WeakPolarHBondContact O-CB 3.31Å; K422-L426 PolarHBondContact O-N 3.21Å; K422-G453 PolarHBondContact NZ-O 2.73Å
423M90.3Very high83.8Confident0 Ų026.9 Ų26.90%017%0.168CC..Hα-helixtrans-57.8-51.6175.6-17474.1170.400111.1C362 H363 D419 A425 L426 H427 F457 E462 S486C362-M423 HydrophobicContact CB-CG 4.14Å; H363-M423 WeakPolarHBondContact NE2-CE 3.41Å; D419-M423 VanDerWaalsContact O-CB 3.27Å; D419-M423 WeakPolarHBondContact O-CB 3.5Å; D419-M423 PolarHBondContact O-N 3.46Å; M423-A425 PolarHBondContact O-N 3.06Å; M423-L426 PolarHBondContact O-N 2.97Å; M423-H427 PolarHBondContact O-CD2 2.76Å; M423-H427 VanDerWaalsContact O-CD2 3.32Å; M423-H427 PolarHBondContact O-N 3.29Å; M423-F457 HydrophobicContact CB-CE1 4.02Å; M423-F457 HydrophobicContact CB-CZ 4.15Å; M423-F457 HydrophobicContact SD-CD1 4.36Å; M423-F457 HydrophobicContact SD-CD2 4.13Å; M423-F457 HydrophobicContact SD-CE1 4.07Å; M423-F457 HydrophobicContact SD-CE2 3.81Å; M423-F457 HydrophobicContact SD-CG 4.39Å; M423-F457 HydrophobicContact SD-CZ 3.78Å; M423-E462 HydrophobicContact CE-CG 3.75Å; M423-E462 WeakPolarHBondContact CE-OE1 3.27Å; M423-E462 WeakPolarHBondContact CE-OE2 3.37Å; M423-E462 HydrophobicContact SD-CG 3.6Å; M423-S486 VanDerWaalsContact CE-OG 3.26Å; M423-S486 WeakPolarHBondContact CE-OG 3.45Å
424A89.9Confident82.6Confident0 Ų027.9 Ų27.90%018%0.176CC..Hα-helixtrans-62.8-43.4179.700000112C362 S364 L365 C420 E421 H427 C428C362-A424 VanDerWaalsContact O-CA 3.28Å; C362-A424 WeakPolarHBondContact O-CA 3.36Å; C362-A424 WeakPolarHBondContact O-CB 3.5Å; C362-A424 PolarHBondContact O-N 2.9Å; S364-A424 WeakPolarHBondContact O-CB 3.46Å; L365-A424 HydrophobicContact CB-CB 3.8Å; L365-A424 HydrophobicContact CD1-CB 4.03Å; C420-A424 WeakPolarHBondContact O-CB 3.38Å; C420-A424 PolarHBondContact O-N 2.97Å; E421-A424 PolarHBondContact O-N 3.2Å; A424-H427 PolarHBondContact O-N 3Å; A424-C428 WeakPolarHBondContact O-CB 3.49Å; A424-C428 PolarHBondContact O-N 3.17Å; A424-C428 PolarHBondContact O-SG 3.37Å
425A90.5Very high81.7Confident0 Ų028.7 Ų28.70%018%0.181CC..Hα-helixtrans-64.7-38.2178.100000112.3F411 L412 E421 K422 M423 C428 A429F411-A425 HydrophobicContact CD1-CB 3.6Å; F411-A425 HydrophobicContact CE1-CB 4.02Å; L412-A425 HydrophobicContact CD2-CB 3.69Å; L412-A425 HydrophobicContact CG-CB 4.06Å; E421-A425 VanDerWaalsContact O-CB 3.28Å; E421-A425 WeakPolarHBondContact O-CB 3.04Å; E421-A425 PolarHBondContact O-N 3.23Å; K422-A425 PolarHBondContact O-N 2.9Å; M423-A425 PolarHBondContact O-N 3.06Å; A425-C428 PolarHBondContact O-N 3.02Å; A425-A429 WeakPolarHBondContact O-CB 3.46Å; A425-A429 PolarHBondContact O-N 2.94Å
426L91Very high81.1Confident0 Ų031.5 Ų31.50%019%0.192CC..Hα-helixtrans-61.5-49.5174.9176.162.8000110.8L412 K422 M423 C428 A429 L430 I443 W446 L459 E462 F463L412-L426 HydrophobicContact CD2-CB 4.37Å; K422-L426 VanDerWaalsContact O-CB 3.32Å; K422-L426 WeakPolarHBondContact O-CB 3.31Å; K422-L426 PolarHBondContact O-N 3.21Å; M423-L426 PolarHBondContact O-N 2.97Å; L426-C428 PolarHBondContact O-N 3.41Å; L426-A429 PolarHBondContact O-N 3.31Å; L426-L430 HydrophobicContact CD1-CD1 3.95Å; L426-L430 HydrophobicContact CD1-CG 4.1Å; L426-L430 HydrophobicContact CG-CD1 3.97Å; L426-L430 HydrophobicContact CG-CG 4.47Å; L426-L430 WeakPolarHBondContact O-CG 3.48Å; L426-L430 PolarHBondContact O-N 2.93Å; L426-I443 HydrophobicContact CD1-CG2 3.63Å; L426-W446 HydrophobicContact CD1-CZ3 4.09Å; L426-W446 HydrophobicContact CD2-CZ3 4.48Å; L426-L459 HydrophobicContact CD2-CD1 4.23Å; L426-E462 HydrophobicContact CD2-CG 4.09Å; L426-F463 HydrophobicContact CD1-CD2 4.28Å
427H89.1Confident80.4Confident6 Ų630 Ų303%0.02819%0.186CC..Hα-helixtrans-64.1-38.7177.8-84.8-82.1000112.9H363 M423 A424 S431 E462 H485H363-H427 AromaticContact CD2-CD2 3.45Å; H363-H427 PolarHBondContact CD2-CD2 3.25Å; H363-H427 VanDerWaalsContact CD2-CD2 3.45Å; H363-H427 AromaticContact CD2-CG 3.89Å; H363-H427 AromaticContact CD2-NE2 3.66Å; H363-H427 AromaticContact CE1-CE1 3.82Å; H363-H427 AromaticContact CE1-NE2 3.88Å; H363-H427 AromaticContact NE2-CD2 3.64Å; H363-H427 AromaticContact NE2-CE1 3.71Å; H363-H427 AromaticContact NE2-NE2 3.3Å; H363-H427 PolarHBondContact NE2-NE2 2.88Å; M423-H427 PolarHBondContact O-CD2 2.76Å; M423-H427 VanDerWaalsContact O-CD2 3.32Å; M423-H427 PolarHBondContact O-N 3.29Å; A424-H427 PolarHBondContact O-N 3Å; H427-S431 WeakPolarHBondContact O-CB 3.3Å; H427-S431 PolarHBondContact O-N 3.42Å; H427-E462 IonicContact CD2-OE1 3.21Å; H427-E462 IonicContact CE1-OE1 3.59Å; H427-E462 PolarHBondContact CE1-OE1 3.06Å; H427-E462 IonicContact NE2-OE1 3.37Å; H427-E462 PolarHBondContact NE2-OE1 3.1Å; H427-H485 PolarHBondContact CE1-O 3.27Å
428C88Confident80.1Confident2 Ų231.1 Ų31.11%0.01419%0.19CC..Hα-helixtrans-60.9-46.1172.2-700000110.9L403 L408 A424 A425 L426 S431 C432L403-C428 HydrophobicContact CD1-CB 4.19Å; L408-C428 HydrophobicContact CD1-CB 3.88Å; L408-C428 HydrophobicContact CD2-CB 4.01Å; A424-C428 WeakPolarHBondContact O-CB 3.49Å; A424-C428 PolarHBondContact O-N 3.17Å; A424-C428 PolarHBondContact O-SG 3.37Å; A425-C428 PolarHBondContact O-N 3.02Å; L426-C428 PolarHBondContact O-N 3.41Å; C428-S431 PolarHBondContact O-N 3.3Å; C428-S431 PolarHBondContact O-OG 3.46Å; C428-C432 PolarHBondContact O-N 3.18Å; C428-C432 PolarHBondContact O-SG 3.48Å
429A88.5Confident79.7Confident4 Ų431.9 Ų31.93%0.03319%0.191CC..Hα-helixtrans-63.8-47.3179.700000111.9L408 A425 L426 S431 C432 F438 I443L408-A429 HydrophobicContact CB-CB 4.34Å; L408-A429 HydrophobicContact CD1-CB 4.39Å; A425-A429 WeakPolarHBondContact O-CB 3.46Å; A425-A429 PolarHBondContact O-N 2.94Å; L426-A429 PolarHBondContact O-N 3.31Å; A429-S431 VanDerWaalsContact C-N 3.3Å; A429-S431 PolarHBondContact O-N 2.88Å; A429-C432 VanDerWaalsContact O-CB 3.26Å; A429-C432 WeakPolarHBondContact O-CB 3.37Å; A429-C432 PolarHBondContact O-N 3.03Å; A429-F438 WeakPolarHBondContact O-CE2 3.3Å; A429-I443 HydrophobicContact CB-CD1 3.88Å
430L87.3Confident79.5Confident4 Ų432.6 Ų32.62%0.02119%0.194CC..Hα-helixtrans-64.2-32.9178.9-68.2174.4000112.8L426 C432 G433 F438 I443 F463 A466 W470L426-L430 HydrophobicContact CD1-CD1 3.95Å; L426-L430 HydrophobicContact CD1-CG 4.1Å; L426-L430 HydrophobicContact CG-CD1 3.97Å; L426-L430 HydrophobicContact CG-CG 4.47Å; L426-L430 WeakPolarHBondContact O-CG 3.48Å; L426-L430 PolarHBondContact O-N 2.93Å; L430-C432 PolarHBondContact O-N 3.27Å; L430-G433 PolarHBondContact O-N 3.15Å; L430-F438 HydrophobicContact CD2-CZ 4.26Å; L430-I443 HydrophobicContact CD2-CD1 4.07Å; L430-F463 HydrophobicContact CD2-CD2 4.47Å; L430-F463 HydrophobicContact CD2-CE2 4.09Å; L430-A466 HydrophobicContact CD1-CB 3.46Å; L430-A466 VanDerWaalsContact CD1-CB 3.46Å; L430-W470 HydrophobicContact CB-CG 4.31Å
431S78.8Confident79.5Confident16 Ų1637.3 Ų37.311%0.11222%0.219CC..Hα-helixtrans-64.1-22.417476.70000113.1H427 C428 A429 G433H427-S431 WeakPolarHBondContact O-CB 3.3Å; H427-S431 PolarHBondContact O-N 3.42Å; C428-S431 PolarHBondContact O-N 3.3Å; C428-S431 PolarHBondContact O-OG 3.46Å; A429-S431 VanDerWaalsContact C-N 3.3Å; A429-S431 PolarHBondContact O-N 2.88Å; S431-G433 PolarHBondContact O-N 3.11Å
432C72.1Confident79.5Confident8 Ų838.5 Ų38.55%0.05423%0.225CC..THydrogen-bonded Turntrans-80.31.8173.1-51.60000113.1L403 Q405 C428 A429 L430 Q434 D435 F438L403-C432 VanDerWaalsContact CB-SG 3.59Å; L403-C432 VanDerWaalsContact CD1-SG 3.54Å; Q405-C432 HydrophobicContact CG-CB 4.02Å; Q405-C432 PolarHBondContact NE2-O 3.01Å; C428-C432 PolarHBondContact O-N 3.18Å; C428-C432 PolarHBondContact O-SG 3.48Å; A429-C432 VanDerWaalsContact O-CB 3.26Å; A429-C432 WeakPolarHBondContact O-CB 3.37Å; A429-C432 PolarHBondContact O-N 3.03Å; L430-C432 PolarHBondContact O-N 3.27Å; C432-Q434 PolarHBondContact O-N 2.88Å; C432-D435 WeakPolarHBondContact O-CB 3.33Å; C432-D435 PolarHBondContact O-N 2.92Å; C432-F438 HydrophobicContact CB-CD2 4.45Å
433G60.3Low79.6Confident37 Ų3737.6 Ų37.638%0.38122%0.221SC..THydrogen-bonded Turntrans-60.1-11.9-17500000115.9L430 S431L430-G433 PolarHBondContact O-N 3.15Å; S431-G433 PolarHBondContact O-N 3.11Å
434Q61.3Low79.6Confident99 Ų9937.6 Ų37.646%0.46322%0.221SC..THydrogen-bonded Turntrans-86.6-13.8176.4-60.8-179.219.900113.3C432 P474C432-Q434 PolarHBondContact O-N 2.88Å; Q434-P474 HydrophobicContact CG-CG 4.49Å
435D64.3Low79.6Confident71 Ų7141.2 Ų41.238%0.3824%0.238SC..SBendtrans-76.7134.8-175.8-69.6-29.2000111.2Q405 C432 G437 F438Q405-D435 PolarHBondContact NE2-OD2 3.07Å; C432-D435 WeakPolarHBondContact O-CB 3.33Å; C432-D435 PolarHBondContact O-N 2.92Å; D435-G437 PolarHBondContact O-N 2.96Å; D435-F438 PolarHBondContact O-N 2.94Å
436P56.2Low79.6Confident135 Ų13541.3 Ų41.388%0.87724%0.238SC*.THydrogen-bonded Turntrans-60.6114.8173.924.3-31.5000109.6
437G63.3Low79.6Confident55 Ų5541.3 Ų41.357%0.56724%0.238SC*.THydrogen-bonded Turntrans107.13.2-176.400000115.3D435 Q439D435-G437 PolarHBondContact O-N 2.96Å; G437-Q439 VanDerWaalsContact O-CG 3.29Å; G437-Q439 WeakPolarHBondContact O-CG 3.4Å; G437-Q439 PolarHBondContact O-N 3.1Å
438F75.8Confident79.6Confident45 Ų4541.8 Ų41.820%0.19724%0.242CC..  trans-55.9122.4169.8177.8-111.5000111.5A429 L430 C432 D435 E440 I443A429-F438 WeakPolarHBondContact O-CE2 3.3Å; L430-F438 HydrophobicContact CD2-CZ 4.26Å; C432-F438 HydrophobicContact CB-CD2 4.45Å; D435-F438 PolarHBondContact O-N 2.94Å; F438-E440 HydrophobicContact CD1-CB 4.03Å; F438-E440 HydrophobicContact CE1-CB 3.54Å; F438-E440 HydrophobicContact CE1-CG 3.95Å; F438-E440 HydrophobicContact CZ-CB 4.34Å; F438-E440 PolarHBondContact O-N 3.01Å; F438-I443 HydrophobicContact CE2-CD1 3.83Å; F438-I443 HydrophobicContact CZ-CD1 3.61Å
439Q76.3Confident79.6Confident103 Ų10344.9 Ų44.948%0.48126%0.256SS..  trans-102.476.8-177.1-55.6-162.9800110.4G437 D441 Q442G437-Q439 VanDerWaalsContact O-CG 3.29Å; G437-Q439 WeakPolarHBondContact O-CG 3.4Å; G437-Q439 PolarHBondContact O-N 3.1Å; Q439-D441 PolarHBondContact O-N 2.99Å; Q439-Q442 HydrophobicContact CB-CB 4.33Å; Q439-Q442 HydrophobicContact CB-CG 3.97Å; Q439-Q442 WeakPolarHBondContact O-CB 3.16Å; Q439-Q442 PolarHBondContact O-N 3.26Å
440E83.9Confident79.4Confident31 Ų3147 Ų4715%0.14527%0.265CS..Hα-helixtrans-55.8-33.4175.5-165171.7-126.100111.9F438 Q442 I443 I444 F463 S467 K636F438-E440 HydrophobicContact CD1-CB 4.03Å; F438-E440 HydrophobicContact CE1-CB 3.54Å; F438-E440 HydrophobicContact CE1-CG 3.95Å; F438-E440 HydrophobicContact CZ-CB 4.34Å; F438-E440 PolarHBondContact O-N 3.01Å; E440-Q442 PolarHBondContact O-N 2.82Å; E440-I443 WeakPolarHBondContact O-CB 3.26Å; E440-I443 PolarHBondContact O-N 3.3Å; E440-I444 HydrophobicContact CG-CD1 4.15Å; E440-I444 HydrophobicContact CG-CG1 4.41Å; E440-I444 WeakPolarHBondContact O-CG1 3.42Å; E440-I444 PolarHBondContact O-N 3.32Å; E440-F463 HydrophobicContact CG-CZ 4.4Å; E440-S467 PolarHBondContact OE1-OG 3.41Å; E440-K636 WeakPolarHBondContact OE1-CE 3.35Å; E440-K636 IonicContact OE1-NZ 3.1Å; E440-K636 PolarHBondContact OE1-NZ 3.03Å; E440-K636 IonicContact OE2-NZ 2.66Å; E440-K636 PolarHBondContact OE2-NZ 3.48Å
441D85.4Confident79Confident107 Ų10747.6 Ų47.657%0.57227%0.269SS*.Hα-helixtrans-57.3-33.9176.9-61.3-29.8000113Q439 I444 Q445Q439-D441 PolarHBondContact O-N 2.99Å; D441-I444 PolarHBondContact O-N 3.45Å; D441-Q445 WeakPolarHBondContact O-CB 3.27Å; D441-Q445 PolarHBondContact O-N 2.93Å
442Q88.4Confident78.7Confident66 Ų6650.9 Ų50.931%0.30829%0.292SS..Hα-helixtrans-68.2-42.6174.7-72.2-160.131.700111.1L409 W413 Q439 E440 I444 Q445 W446L409-Q442 HydrophobicContact CD1-CB 4.36Å; L409-Q442 HydrophobicContact CD2-CB 3.99Å; W413-Q442 HydrophobicContact CH2-CB 3.95Å; W413-Q442 WeakPolarHBondContact CH2-O 3.3Å; W413-Q442 HydrophobicContact CZ3-CB 4.45Å; Q439-Q442 HydrophobicContact CB-CB 4.33Å; Q439-Q442 HydrophobicContact CB-CG 3.97Å; Q439-Q442 WeakPolarHBondContact O-CB 3.16Å; Q439-Q442 PolarHBondContact O-N 3.26Å; E440-Q442 PolarHBondContact O-N 2.82Å; Q442-I444 VanDerWaalsContact C-N 3.31Å; Q442-I444 PolarHBondContact O-N 3.06Å; Q442-Q445 WeakPolarHBondContact O-CB 3.35Å; Q442-Q445 PolarHBondContact O-N 3.23Å; Q442-W446 PolarHBondContact O-N 2.68Å
443I90.1Very high78.9Confident1 Ų151.8 Ų51.81%0.00530%0.302CS..Hα-helixtrans-64.2-41.5176.4-57.3178000110L409 L426 A429 L430 F438 E440 Q445 W446 V447 F463L409-I443 HydrophobicContact CD2-CG1 3.68Å; L426-I443 HydrophobicContact CD1-CG2 3.63Å; A429-I443 HydrophobicContact CB-CD1 3.88Å; L430-I443 HydrophobicContact CD2-CD1 4.07Å; F438-I443 HydrophobicContact CE2-CD1 3.83Å; F438-I443 HydrophobicContact CZ-CD1 3.61Å; E440-I443 WeakPolarHBondContact O-CB 3.26Å; E440-I443 PolarHBondContact O-N 3.3Å; I443-Q445 VanDerWaalsContact C-N 3.34Å; I443-Q445 PolarHBondContact O-N 3.02Å; I443-W446 HydrophobicContact CG2-CE3 4.34Å; I443-W446 WeakPolarHBondContact O-CB 3.47Å; I443-W446 PolarHBondContact O-N 3.44Å; I443-V447 HydrophobicContact CG2-CG2 4.4Å; I443-V447 WeakPolarHBondContact O-CG2 3.39Å; I443-V447 PolarHBondContact O-N 3.09Å; I443-F463 HydrophobicContact CB-CE2 4.26Å; I443-F463 HydrophobicContact CG2-CD2 3.87Å; I443-F463 HydrophobicContact CG2-CE2 3.54Å; I443-F463 HydrophobicContact CG2-CZ 4.45Å
444I90.9Very high79.8Confident0 Ų050.7 Ų50.70%029%0.289CS..Hα-helixtrans-57.8-47.9174.9-68.5170.1000110.2E440 D441 Q442 W446 V447 C448 F463 L640 C643 M644 T647E440-I444 HydrophobicContact CG-CD1 4.15Å; E440-I444 HydrophobicContact CG-CG1 4.41Å; E440-I444 WeakPolarHBondContact O-CG1 3.42Å; E440-I444 PolarHBondContact O-N 3.32Å; D441-I444 PolarHBondContact O-N 3.45Å; Q442-I444 VanDerWaalsContact C-N 3.31Å; Q442-I444 PolarHBondContact O-N 3.06Å; I444-W446 VanDerWaalsContact C-N 3.33Å; I444-W446 PolarHBondContact O-N 3.36Å; I444-V447 PolarHBondContact O-N 3.3Å; I444-C448 VanDerWaalsContact O-CB 3.3Å; I444-C448 WeakPolarHBondContact O-CB 3.26Å; I444-C448 PolarHBondContact O-N 3.2Å; I444-C448 PolarHBondContact O-SG 3.07Å; I444-F463 HydrophobicContact CD1-CZ 4.34Å; I444-F463 HydrophobicContact CG1-CE1 3.75Å; I444-F463 HydrophobicContact CG1-CZ 3.46Å; I444-F463 VanDerWaalsContact CG1-CZ 3.46Å; I444-L640 HydrophobicContact CD1-CD2 4.35Å; I444-C643 HydrophobicContact CD1-CB 3.66Å; I444-M644 HydrophobicContact CG2-CB 4.38Å; I444-M644 HydrophobicContact CG2-CG 3.82Å; I444-T647 WeakPolarHBondContact CG2-OG1 3.47Å
445Q90.5Very high80.8Confident76 Ų7654 Ų5436%0.35530%0.304SS..Hα-helixtrans-58.3-45.4175.8-175.8-178.6-10.500111.7D441 Q442 I443 C448 E449 T647D441-Q445 WeakPolarHBondContact O-CB 3.27Å; D441-Q445 PolarHBondContact O-N 2.93Å; Q442-Q445 WeakPolarHBondContact O-CB 3.35Å; Q442-Q445 PolarHBondContact O-N 3.23Å; I443-Q445 VanDerWaalsContact C-N 3.34Å; I443-Q445 PolarHBondContact O-N 3.02Å; Q445-C448 WeakPolarHBondContact O-CB 3.42Å; Q445-C448 PolarHBondContact O-N 3.22Å; Q445-E449 PolarHBondContact NE2-OE1 3.33Å; Q445-E449 WeakPolarHBondContact O-CB 3.41Å; Q445-E449 VanDerWaalsContact O-CG 3.3Å; Q445-E449 WeakPolarHBondContact O-CG 3.31Å; Q445-E449 PolarHBondContact O-N 2.94Å; Q445-T647 HydrophobicContact CB-CG2 3.99Å; Q445-T647 HydrophobicContact CG-CG2 4.3Å
446W91Very high81.8Confident2 Ų252.9 Ų52.91%0.00830%0.301CS..Hα-helixtrans-60.7-46.8177.7169.578.1000112.3L412 W413 L426 Q442 I443 I444 C448 E449 H450 L459L412-W446 VanDerWaalsContact C-NE1 3.33Å; L412-W446 HydrophobicContact CB-CD2 4.09Å; L412-W446 HydrophobicContact CB-CG 4.34Å; L412-W446 HydrophobicContact CB-CZ2 4.19Å; L412-W446 HydrophobicContact CD1-CE3 4.33Å; L412-W446 HydrophobicContact CD1-CZ3 4.45Å; L412-W446 HydrophobicContact CD2-CH2 3.77Å; L412-W446 HydrophobicContact CD2-CZ2 3.79Å; L412-W446 HydrophobicContact CD2-CZ3 4.21Å; L412-W446 PolarHBondContact O-NE1 3.05Å; W413-W446 HydrophobicContact CD2-CB 4.2Å; W413-W446 AromaticContact CD2-CD1 3.91Å; W413-W446 HydrophobicContact CD2-CG 4.39Å; W413-W446 HydrophobicContact CE3-CB 3.99Å; W413-W446 HydrophobicContact CE3-CG 4.22Å; W413-W446 HydrophobicContact CH2-CB 3.75Å; W413-W446 HydrophobicContact CZ2-CB 3.82Å; W413-W446 HydrophobicContact CZ3-CB 3.79Å; W413-W446 HydrophobicContact CZ3-CG 4.44Å; L426-W446 HydrophobicContact CD1-CZ3 4.09Å; L426-W446 HydrophobicContact CD2-CZ3 4.48Å; Q442-W446 PolarHBondContact O-N 2.68Å; I443-W446 HydrophobicContact CG2-CE3 4.34Å; I443-W446 WeakPolarHBondContact O-CB 3.47Å; I443-W446 PolarHBondContact O-N 3.44Å; I444-W446 VanDerWaalsContact C-N 3.33Å; I444-W446 PolarHBondContact O-N 3.36Å; W446-C448 VanDerWaalsContact C-N 3.34Å; W446-C448 PolarHBondContact O-N 3.35Å; W446-E449 PolarHBondContact O-N 3.5Å; W446-E449 VanDerWaalsContact O-N 3.17Å; W446-H450 AromaticContact CD1-CE1 3.67Å; W446-H450 AromaticContact CD1-ND1 3.34Å; W446-H450 VanDerWaalsContact CD1-ND1 3.34Å; W446-H450 AromaticContact NE1-CG 3.85Å; W446-H450 AromaticContact NE1-ND1 3.62Å; W446-H450 WeakPolarHBondContact O-CB 3.1Å; W446-H450 PolarHBondContact O-N 3.31Å; W446-H450 PolarHBondContact O-ND1 2.82Å; W446-L459 HydrophobicContact CH2-CD1 3.48Å; W446-L459 VanDerWaalsContact CH2-CD1 3.48Å; W446-L459 HydrophobicContact CH2-CD2 3.94Å; W446-L459 HydrophobicContact CH2-CG 4.34Å; W446-L459 HydrophobicContact CZ2-CD2 4.33Å; W446-L459 HydrophobicContact CZ3-CD1 3.6Å; W446-L459 HydrophobicContact CZ3-CD2 4.09Å; W446-L459 HydrophobicContact CZ3-CG 4.34Å
447V91.1Very high83.3Confident0 Ų047.3 Ų47.30%026%0.264CS..Hα-helixtrans-58.4-48176.8170.70000110.5I443 I444 E449 H450 V451 L459 I460 F463 M644I443-V447 HydrophobicContact CG2-CG2 4.4Å; I443-V447 WeakPolarHBondContact O-CG2 3.39Å; I443-V447 PolarHBondContact O-N 3.09Å; I444-V447 PolarHBondContact O-N 3.3Å; V447-E449 VanDerWaalsContact C-N 3.25Å; V447-E449 PolarHBondContact O-N 3.15Å; V447-H450 PolarHBondContact O-N 3.18Å; V447-V451 WeakPolarHBondContact O-CG2 3.4Å; V447-V451 PolarHBondContact O-N 3.48Å; V447-L459 HydrophobicContact CB-CD2 4.4Å; V447-L459 HydrophobicContact CG1-CD2 4.31Å; V447-L459 HydrophobicContact CG1-CG 4.16Å; V447-L459 HydrophobicContact CG2-CD1 4.44Å; V447-L459 HydrophobicContact CG2-CD2 4.29Å; V447-L459 HydrophobicContact CG2-CG 4.17Å; V447-I460 HydrophobicContact CG1-CG1 4.14Å; V447-F463 HydrophobicContact CG2-CB 4.04Å; V447-F463 HydrophobicContact CG2-CD1 4.27Å; V447-F463 HydrophobicContact CG2-CD2 4.14Å; V447-F463 HydrophobicContact CG2-CG 3.88Å; V447-M644 HydrophobicContact CG1-SD 4.36Å
448C88.9Confident84.6Confident15 Ų1546.1 Ų46.110%0.10124%0.244CC..Hα-helixtrans-58.1-34.7177.6-78.60000113.2I444 Q445 W446 M644 I648I444-C448 VanDerWaalsContact O-CB 3.3Å; I444-C448 WeakPolarHBondContact O-CB 3.26Å; I444-C448 PolarHBondContact O-N 3.2Å; I444-C448 PolarHBondContact O-SG 3.07Å; Q445-C448 WeakPolarHBondContact O-CB 3.42Å; Q445-C448 PolarHBondContact O-N 3.22Å; W446-C448 VanDerWaalsContact C-N 3.34Å; W446-C448 PolarHBondContact O-N 3.35Å; C448-M644 PolarHBondContact SG-O 3.38Å; C448-I648 HydrophobicContact CB-CD1 3.49Å; C448-I648 VanDerWaalsContact CB-CD1 3.49Å; C448-I648 HydrophobicContact CB-CG1 3.95Å
449E87.7Confident85.4Confident68 Ų6844 Ų4432%0.31824%0.235SC..Hα-helixtrans-83.8-22.3180-71.3179.2176.400113.8Q445 W446 V447 K651Q445-E449 PolarHBondContact NE2-OE1 3.33Å; Q445-E449 WeakPolarHBondContact O-CB 3.41Å; Q445-E449 VanDerWaalsContact O-CG 3.3Å; Q445-E449 WeakPolarHBondContact O-CG 3.31Å; Q445-E449 PolarHBondContact O-N 2.94Å; W446-E449 PolarHBondContact O-N 3.5Å; W446-E449 VanDerWaalsContact O-N 3.17Å; V447-E449 VanDerWaalsContact C-N 3.25Å; V447-E449 PolarHBondContact O-N 3.15Å; E449-K651 VanDerWaalsContact CD-NZ 3.28Å; E449-K651 VanDerWaalsContact CG-NZ 3.3Å; E449-K651 IonicContact OE1-NZ 2.92Å; E449-K651 PolarHBondContact OE1-NZ 3.4Å
450H84.8Confident86.2Confident47 Ų4739.1 Ų39.122%0.21821%0.212CC..  trans-121.929.3-170.8-60.782.7000113.5W446 V447 S452 G453 L459W446-H450 AromaticContact CD1-CE1 3.67Å; W446-H450 AromaticContact CD1-ND1 3.34Å; W446-H450 VanDerWaalsContact CD1-ND1 3.34Å; W446-H450 AromaticContact NE1-CG 3.85Å; W446-H450 AromaticContact NE1-ND1 3.62Å; W446-H450 WeakPolarHBondContact O-CB 3.1Å; W446-H450 PolarHBondContact O-N 3.31Å; W446-H450 PolarHBondContact O-ND1 2.82Å; V447-H450 PolarHBondContact O-N 3.18Å; H450-S452 PolarHBondContact O-N 2.7Å; H450-G453 WeakPolarHBondContact O-CA 3.1Å; H450-G453 PolarHBondContact O-N 2.72Å; H450-L459 HydrophobicContact CB-CD2 4.38Å
451V78Confident86.7Confident18 Ų1839 Ų3911%0.10921%0.211CC..THydrogen-bonded Turntrans-56.5-28.3-176.8177.50000114.3V447 I460 L675 R678V447-V451 WeakPolarHBondContact O-CG2 3.4Å; V447-V451 PolarHBondContact O-N 3.48Å; V451-I460 HydrophobicContact CG1-CD1 3.75Å; V451-I460 HydrophobicContact CG1-CG1 4.36Å; V451-I460 HydrophobicContact CG2-CD1 4.13Å; V451-I460 HydrophobicContact CG2-CG1 4.43Å; V451-L675 HydrophobicContact CG2-CD1 3.5Å; V451-L675 VanDerWaalsContact CG2-CD1 3.5Å; V451-R678 HydrophobicContact CG1-CB 3.76Å; V451-R678 HydrophobicContact CG1-CG 3.74Å
452S73.4Confident87.1Confident85 Ų8533.9 Ų33.959%0.59418%0.184SC*.THydrogen-bonded Turntrans-105.810.2175.2-54.80000113.3H450 C454H450-S452 PolarHBondContact O-N 2.7Å; S452-C454 VanDerWaalsContact C-N 3.34Å
453G74.8Confident87.3Confident26 Ų2630.7 Ų30.727%0.26817%0.169SC..SBendtrans-84-4.8-17500000114.9K422 H450K422-G453 PolarHBondContact NZ-O 2.73Å; H450-G453 WeakPolarHBondContact O-CA 3.1Å; H450-G453 PolarHBondContact O-N 2.72Å
454C80.7Confident87.5Confident14 Ų1430.7 Ų30.710%0.09517%0.169CC..  trans-120.9138.6173.5-58.60000109.6S452 F457S452-C454 VanDerWaalsContact C-N 3.34Å; C454-F457 HydrophobicContact CB-CD1 4.43Å; C454-F457 HydrophobicContact CB-CE1 4.13Å; C454-F457 HydrophobicContact CB-CZ 4.26Å
455H82.2Confident87.5Confident169 Ų16931 Ų3178%0.78217%0.171SC*.SBendtrans-110-30.7-179.6-59.8-50000112.6D419D419-H455 WeakPolarHBondContact OD2-CA 3.15Å; D419-H455 PolarHBondContact OD2-N 3.35Å
456S84.4Confident87.5Confident47 Ų4727.3 Ų27.333%0.32915%0.154SC..SBendtrans-83-17.1-176.3-56.10000113.9D419 E493D419-S456 PolarHBondContact OD2-N 2.87Å; D419-S456 PolarHBondContact OD2-OG 2.69Å; S456-E493 WeakPolarHBondContact CB-OE1 3.49Å; S456-E493 PolarHBondContact OG-OE1 3.15Å; S456-E493 PolarHBondContact OG-OE2 3.43Å
457F88.4Confident87.5Confident19 Ų1927.3 Ų27.38%0.08315%0.154CC..SBendtrans-153.4163.3177.368.5-83.4000112.2D419 M423 C454 L459 E462 V488 W491D419-F457 HydrophobicContact CB-CD1 4.42Å; D419-F457 HydrophobicContact CB-CE1 4.1Å; M423-F457 HydrophobicContact CB-CE1 4.02Å; M423-F457 HydrophobicContact CB-CZ 4.15Å; M423-F457 HydrophobicContact SD-CD1 4.36Å; M423-F457 HydrophobicContact SD-CD2 4.13Å; M423-F457 HydrophobicContact SD-CE1 4.07Å; M423-F457 HydrophobicContact SD-CE2 3.81Å; M423-F457 HydrophobicContact SD-CG 4.39Å; M423-F457 HydrophobicContact SD-CZ 3.78Å; C454-F457 HydrophobicContact CB-CD1 4.43Å; C454-F457 HydrophobicContact CB-CE1 4.13Å; C454-F457 HydrophobicContact CB-CZ 4.26Å; F457-L459 HydrophobicContact CE2-CB 4.42Å; F457-L459 HydrophobicContact CE2-CD1 3.92Å; F457-L459 HydrophobicContact CZ-CD1 4.31Å; F457-E462 HydrophobicContact CD2-CB 3.86Å; F457-E462 HydrophobicContact CD2-CG 4.31Å; F457-E462 HydrophobicContact CE2-CB 3.89Å; F457-E462 HydrophobicContact CE2-CG 4.13Å; F457-V488 HydrophobicContact CB-CG2 3.8Å; F457-W491 HydrophobicContact CD1-CH2 4.3Å; F457-W491 HydrophobicContact CD1-CZ3 4.14Å
458D90.6Very high87.4Confident29 Ų2927.3 Ų27.316%0.15515%0.154CC..  trans-85.2110.8174.1-174-32.5000110.4I460 Q461 E462 R678D458-I460 VanDerWaalsContact C-N 3.32Å; D458-I460 PolarHBondContact O-N 2.61Å; D458-I460 PolarHBondContact OD1-N 2.59Å; D458-Q461 HydrophobicContact CB-CB 3.97Å; D458-Q461 HydrophobicContact CB-CG 3.89Å; D458-Q461 PolarHBondContact O-N 2.85Å; D458-Q461 PolarHBondContact OD1-N 2.91Å; D458-Q461 PolarHBondContact OD2-NE2 2.78Å; D458-E462 PolarHBondContact O-N 2.82Å; D458-R678 IonicContact OD2-NH2 3.49Å
459L91.8Very high87.4Confident2 Ų226.7 Ų26.71%0.0115%0.149CC..Hα-helixtrans-61.6-36.9-175.7-177.860.3000113.5L426 W446 V447 H450 F457 F463L426-L459 HydrophobicContact CD2-CD1 4.23Å; W446-L459 HydrophobicContact CH2-CD1 3.48Å; W446-L459 VanDerWaalsContact CH2-CD1 3.48Å; W446-L459 HydrophobicContact CH2-CD2 3.94Å; W446-L459 HydrophobicContact CH2-CG 4.34Å; W446-L459 HydrophobicContact CZ2-CD2 4.33Å; W446-L459 HydrophobicContact CZ3-CD1 3.6Å; W446-L459 HydrophobicContact CZ3-CD2 4.09Å; W446-L459 HydrophobicContact CZ3-CG 4.34Å; V447-L459 HydrophobicContact CB-CD2 4.4Å; V447-L459 HydrophobicContact CG1-CD2 4.31Å; V447-L459 HydrophobicContact CG1-CG 4.16Å; V447-L459 HydrophobicContact CG2-CD1 4.44Å; V447-L459 HydrophobicContact CG2-CD2 4.29Å; V447-L459 HydrophobicContact CG2-CG 4.17Å; H450-L459 HydrophobicContact CB-CD2 4.38Å; F457-L459 HydrophobicContact CE2-CB 4.42Å; F457-L459 HydrophobicContact CE2-CD1 3.92Å; F457-L459 HydrophobicContact CZ-CD1 4.31Å; L459-F463 VanDerWaalsContact O-CB 3.3Å; L459-F463 WeakPolarHBondContact O-CB 3.48Å; L459-F463 PolarHBondContact O-N 3.11Å
460I93.7Very high87.2Confident0 Ų024.3 Ų24.30%014%0.138CC..Hα-helixtrans-70.4-44.3-179.1-63.1175.3000109.3V447 V451 D458 E462 F463 L464 M644 L675 R678 I679 A682V447-I460 HydrophobicContact CG1-CG1 4.14Å; V451-I460 HydrophobicContact CG1-CD1 3.75Å; V451-I460 HydrophobicContact CG1-CG1 4.36Å; V451-I460 HydrophobicContact CG2-CD1 4.13Å; V451-I460 HydrophobicContact CG2-CG1 4.43Å; D458-I460 VanDerWaalsContact C-N 3.32Å; D458-I460 PolarHBondContact O-N 2.61Å; D458-I460 PolarHBondContact OD1-N 2.59Å; I460-E462 VanDerWaalsContact C-N 3.34Å; I460-E462 PolarHBondContact O-N 2.74Å; I460-F463 PolarHBondContact O-N 3.4Å; I460-L464 HydrophobicContact CG2-CD1 3.96Å; I460-L464 HydrophobicContact CG2-CG 4.37Å; I460-L464 WeakPolarHBondContact O-CB 3.23Å; I460-L464 VanDerWaalsContact O-CG 3.27Å; I460-L464 WeakPolarHBondContact O-CG 3.27Å; I460-L464 PolarHBondContact O-N 3.46Å; I460-M644 HydrophobicContact CG2-SD 4.36Å; I460-L675 HydrophobicContact CD1-CD1 4.06Å; I460-R678 HydrophobicContact CD1-CB 3.92Å; I460-I679 HydrophobicContact CD1-CG1 4.08Å; I460-I679 HydrophobicContact CG2-CG1 4.47Å; I460-A682 HydrophobicContact CB-CB 3.93Å; I460-A682 HydrophobicContact CG2-CB 3.73Å
461Q93.8Very high87.2Confident27 Ų2724 Ų2413%0.12614%0.14CC..Hα-helixtrans-60.2-46.3177.4-68.7-176.935.800111.3D458 L464 I465 A682 L686D458-Q461 HydrophobicContact CB-CB 3.97Å; D458-Q461 HydrophobicContact CB-CG 3.89Å; D458-Q461 PolarHBondContact O-N 2.85Å; D458-Q461 PolarHBondContact OD1-N 2.91Å; D458-Q461 PolarHBondContact OD2-NE2 2.78Å; Q461-L464 PolarHBondContact O-N 3.24Å; Q461-I465 WeakPolarHBondContact O-CG1 3.3Å; Q461-I465 PolarHBondContact O-N 3.16Å; Q461-I465 VanDerWaalsContact O-N 3.1Å; Q461-A682 HydrophobicContact CG-CB 3.61Å; Q461-L686 HydrophobicContact CB-CD1 3.8Å; Q461-L686 HydrophobicContact CB-CG 4.41Å; Q461-L686 HydrophobicContact CG-CD1 3.82Å; Q461-L686 HydrophobicContact CG-CG 4.05Å
462E93.6Very high87.3Confident0 Ų023.1 Ų23.10%014%0.135CC..Hα-helixtrans-61.3-49.1178.7-173.160.5-153.600112M423 L426 H427 F457 D458 I460 L464 I465 A466 S486 S487M423-E462 HydrophobicContact CE-CG 3.75Å; M423-E462 WeakPolarHBondContact CE-OE1 3.27Å; M423-E462 WeakPolarHBondContact CE-OE2 3.37Å; M423-E462 HydrophobicContact SD-CG 3.6Å; L426-E462 HydrophobicContact CD2-CG 4.09Å; H427-E462 IonicContact CD2-OE1 3.21Å; H427-E462 IonicContact CE1-OE1 3.59Å; H427-E462 PolarHBondContact CE1-OE1 3.06Å; H427-E462 IonicContact NE2-OE1 3.37Å; H427-E462 PolarHBondContact NE2-OE1 3.1Å; F457-E462 HydrophobicContact CD2-CB 3.86Å; F457-E462 HydrophobicContact CD2-CG 4.31Å; F457-E462 HydrophobicContact CE2-CB 3.89Å; F457-E462 HydrophobicContact CE2-CG 4.13Å; D458-E462 PolarHBondContact O-N 2.82Å; I460-E462 VanDerWaalsContact C-N 3.34Å; I460-E462 PolarHBondContact O-N 2.74Å; E462-L464 VanDerWaalsContact C-N 3.35Å; E462-L464 PolarHBondContact O-N 2.72Å; E462-I465 PolarHBondContact O-N 3.14Å; E462-A466 VanDerWaalsContact O-CB 3.23Å; E462-A466 WeakPolarHBondContact O-CB 3.49Å; E462-A466 PolarHBondContact O-N 3.2Å; E462-S486 VanDerWaalsContact CD-OG 3.29Å; E462-S486 WeakPolarHBondContact OE1-CA 3.48Å; E462-S486 WeakPolarHBondContact OE1-CB 3.46Å; E462-S486 PolarHBondContact OE1-OG 2.78Å; E462-S486 PolarHBondContact OE2-OG 3.2Å; E462-S487 VanDerWaalsContact OE2-CB 3.27Å; E462-S487 WeakPolarHBondContact OE2-CB 3.46Å; E462-S487 PolarHBondContact OE2-N 2.86Å; E462-S487 PolarHBondContact OE2-OG 2.95Å
463F93.5Very high87.4Confident0 Ų019.7 Ų19.70%011%0.109CC..Hα-helixtrans-60.8-43.9-179.5176-111.8000112L426 L430 E440 I443 I444 V447 L459 I460 S467 L640 M644L426-F463 HydrophobicContact CD1-CD2 4.28Å; L430-F463 HydrophobicContact CD2-CD2 4.47Å; L430-F463 HydrophobicContact CD2-CE2 4.09Å; E440-F463 HydrophobicContact CG-CZ 4.4Å; I443-F463 HydrophobicContact CB-CE2 4.26Å; I443-F463 HydrophobicContact CG2-CD2 3.87Å; I443-F463 HydrophobicContact CG2-CE2 3.54Å; I443-F463 HydrophobicContact CG2-CZ 4.45Å; I444-F463 HydrophobicContact CD1-CZ 4.34Å; I444-F463 HydrophobicContact CG1-CE1 3.75Å; I444-F463 HydrophobicContact CG1-CZ 3.46Å; I444-F463 VanDerWaalsContact CG1-CZ 3.46Å; V447-F463 HydrophobicContact CG2-CB 4.04Å; V447-F463 HydrophobicContact CG2-CD1 4.27Å; V447-F463 HydrophobicContact CG2-CD2 4.14Å; V447-F463 HydrophobicContact CG2-CG 3.88Å; L459-F463 VanDerWaalsContact O-CB 3.3Å; L459-F463 WeakPolarHBondContact O-CB 3.48Å; L459-F463 PolarHBondContact O-N 3.11Å; I460-F463 PolarHBondContact O-N 3.4Å; F463-S467 VanDerWaalsContact O-CB 3.23Å; F463-S467 WeakPolarHBondContact O-CB 3.33Å; F463-S467 PolarHBondContact O-N 3.29Å; F463-L640 HydrophobicContact CE1-CD2 3.94Å; F463-L640 HydrophobicContact CZ-CD2 3.89Å; F463-M644 HydrophobicContact CD1-CE 3.84Å; F463-M644 HydrophobicContact CD1-SD 4.39Å; F463-M644 HydrophobicContact CE1-CE 4Å
464L93Very high87.1Confident0 Ų022 Ų220%012%0.12CC..Hα-helixtrans-61.8-44.8178.3-73.8175.6000112.1I460 Q461 E462 S468 L640 I641 M644 F688I460-L464 HydrophobicContact CG2-CD1 3.96Å; I460-L464 HydrophobicContact CG2-CG 4.37Å; I460-L464 WeakPolarHBondContact O-CB 3.23Å; I460-L464 VanDerWaalsContact O-CG 3.27Å; I460-L464 WeakPolarHBondContact O-CG 3.27Å; I460-L464 PolarHBondContact O-N 3.46Å; Q461-L464 PolarHBondContact O-N 3.24Å; E462-L464 VanDerWaalsContact C-N 3.35Å; E462-L464 PolarHBondContact O-N 2.72Å; L464-S468 WeakPolarHBondContact O-CB 2.98Å; L464-S468 PolarHBondContact O-N 3.48Å; L464-S468 PolarHBondContact O-OG 3.43Å; L464-L640 HydrophobicContact CD2-CB 3.73Å; L464-L640 HydrophobicContact CD2-CD1 4.2Å; L464-I641 HydrophobicContact CD1-CD1 4.45Å; L464-I641 HydrophobicContact CD1-CG1 4.24Å; L464-I641 HydrophobicContact CD2-CG1 3.79Å; L464-M644 HydrophobicContact CD2-CE 3.41Å; L464-M644 VanDerWaalsContact CD2-CE 3.41Å; L464-M644 HydrophobicContact CG-CE 3.94Å; L464-F688 HydrophobicContact CB-CD2 4.48Å; L464-F688 HydrophobicContact CB-CE2 4.17Å; L464-F688 HydrophobicContact CD1-CD2 4.32Å
465I91.8Very high86.2Confident6 Ų624.4 Ų24.43%0.03113%0.129CC..Hα-helixtrans-69-52.9179.8-68.3168.2000110.2Q461 E462 S468 Y469 P484 L686 F688Q461-I465 WeakPolarHBondContact O-CG1 3.3Å; Q461-I465 PolarHBondContact O-N 3.16Å; Q461-I465 VanDerWaalsContact O-N 3.1Å; E462-I465 PolarHBondContact O-N 3.14Å; I465-S468 PolarHBondContact O-N 3.41Å; I465-Y469 VanDerWaalsContact O-CB 3.27Å; I465-Y469 WeakPolarHBondContact O-CB 3.48Å; I465-Y469 PolarHBondContact O-N 2.68Å; I465-P484 HydrophobicContact CG2-CB 4.05Å; I465-P484 HydrophobicContact CG2-CG 4.3Å; I465-P484 WeakPolarHBondContact CG2-O 3.4Å; I465-L686 HydrophobicContact CD1-CD1 3.77Å; I465-L686 HydrophobicContact CD1-CD2 3.91Å; I465-L686 HydrophobicContact CG1-CD1 4Å; I465-F688 HydrophobicContact CG1-CE2 4.01Å; I465-F688 HydrophobicContact CG1-CZ 3.93Å
466A90.9Very high85.4Confident0 Ų016.8 Ų16.80%09%0.094CC..Hα-helixtrans-64.8-44.9-17400000111.9L430 E462 Y469 W470L430-A466 HydrophobicContact CD1-CB 3.46Å; L430-A466 VanDerWaalsContact CD1-CB 3.46Å; E462-A466 VanDerWaalsContact O-CB 3.23Å; E462-A466 WeakPolarHBondContact O-CB 3.49Å; E462-A466 PolarHBondContact O-N 3.2Å; A466-Y469 PolarHBondContact O-N 3.44Å; A466-W470 PolarHBondContact O-N 3.49Å
467S91.1Very high84.3Confident2 Ų218.1 Ų18.11%0.01410%0.101CC..Hα-helixtrans-66.3-41.3177.8170.70000112E440 F463 Y469 W470 S471 K636 L640E440-S467 PolarHBondContact OE1-OG 3.41Å; F463-S467 VanDerWaalsContact O-CB 3.23Å; F463-S467 WeakPolarHBondContact O-CB 3.33Å; F463-S467 PolarHBondContact O-N 3.29Å; S467-Y469 VanDerWaalsContact C-N 3.34Å; S467-Y469 PolarHBondContact O-N 2.95Å; S467-W470 PolarHBondContact O-N 3.34Å; S467-S471 WeakPolarHBondContact O-CB 3.29Å; S467-S471 PolarHBondContact O-N 3.46Å; S467-K636 WeakPolarHBondContact OG-CE 3.37Å; S467-L640 WeakPolarHBondContact OG-CD1 3.4Å
468S89.3Confident83.2Confident0 Ų018.9 Ų18.90%011%0.106CC..Hα-helixtrans-63.6-41.4176.5-56.50000111.4L464 I465 S471L464-S468 WeakPolarHBondContact O-CB 2.98Å; L464-S468 PolarHBondContact O-N 3.48Å; L464-S468 PolarHBondContact O-OG 3.43Å; I465-S468 PolarHBondContact O-N 3.41Å; S468-S471 PolarHBondContact O-N 2.98Å; S468-S471 PolarHBondContact O-OG 3.49Å
469Y87.6Confident82Confident1 Ų117.6 Ų17.60%0.00410%0.099CC..Hα-helixtrans-58.9-55.2174.5172.4-98.7000111.8H357 I465 A466 S467 S471 V472 Y473 V479 D480 L483 H485H357-Y469 PolarHBondContact CE1-OH 2.88Å; H357-Y469 AromaticContact NE2-CE1 3.65Å; H357-Y469 AromaticContact NE2-CZ 3.38Å; H357-Y469 PolarHBondContact NE2-OH 2.94Å; I465-Y469 VanDerWaalsContact O-CB 3.27Å; I465-Y469 WeakPolarHBondContact O-CB 3.48Å; I465-Y469 PolarHBondContact O-N 2.68Å; A466-Y469 PolarHBondContact O-N 3.44Å; S467-Y469 VanDerWaalsContact C-N 3.34Å; S467-Y469 PolarHBondContact O-N 2.95Å; Y469-S471 PolarHBondContact O-N 3.39Å; Y469-V472 PolarHBondContact O-N 2.59Å; Y469-V472 VanDerWaalsContact O-N 3.16Å; Y469-Y473 AromaticContact CE1-CD2 3.9Å; Y469-Y473 HydrophobicContact CE1-CD2 3.9Å; Y469-Y473 HydrophobicContact CE1-CE2 4.44Å; Y469-Y473 HydrophobicContact CE1-CG 4.37Å; Y469-Y473 HydrophobicContact CE2-CD2 4.07Å; Y469-Y473 AromaticContact CZ-CD2 3.45Å; Y469-Y473 VanDerWaalsContact CZ-CD2 3.45Å; Y469-Y473 AromaticContact CZ-CE2 3.85Å; Y469-Y473 WeakPolarHBondContact O-CB 3.43Å; Y469-Y473 PolarHBondContact O-N 2.65Å; Y469-Y473 WeakPolarHBondContact OH-CD2 3.18Å; Y469-Y473 WeakPolarHBondContact OH-CE2 3.42Å; Y469-V479 HydrophobicContact CE2-CG1 4.24Å; Y469-D480 WeakPolarHBondContact OH-CA 3.21Å; Y469-D480 WeakPolarHBondContact OH-CB 3.49Å; Y469-L483 HydrophobicContact CD2-CB 4.15Å; Y469-H485 HydrophobicContact CD1-CB 3.86Å; Y469-H485 HydrophobicContact CD2-CB 3.87Å; Y469-H485 HydrophobicContact CE1-CB 3.93Å; Y469-H485 HydrophobicContact CE2-CB 3.93Å; Y469-H485 HydrophobicContact CG-CB 3.83Å
470W84.8Confident80.8Confident19 Ų1917.7 Ų17.77%0.07210%0.099CC..Hα-helixtrans-64-26.9-177.7-78.2114.3000113.5Y339 L430 A466 S467 V472 Y473Y339-W470 HydrophobicContact CD2-CH2 4.49Å; Y339-W470 HydrophobicContact CD2-CZ3 4.36Å; Y339-W470 HydrophobicContact CG-CH2 4.36Å; L430-W470 HydrophobicContact CB-CG 4.31Å; A466-W470 PolarHBondContact O-N 3.49Å; S467-W470 PolarHBondContact O-N 3.34Å; W470-V472 VanDerWaalsContact C-N 3.34Å; W470-Y473 HydrophobicContact CE3-CD1 4.15Å; W470-Y473 HydrophobicContact CE3-CG 4.33Å; W470-Y473 AromaticContact CZ3-CD1 3.89Å; W470-Y473 HydrophobicContact CZ3-CD1 3.89Å; W470-Y473 HydrophobicContact CZ3-CE1 4.17Å; W470-Y473 HydrophobicContact CZ3-CG 4.38Å
471S83.5Confident79.7Confident39 Ų3918.2 Ų18.227%0.27310%0.102SC..Hα-helixtrans-68.4-31.4176.576.70000113.9S467 S468 Y469 K636S467-S471 WeakPolarHBondContact O-CB 3.29Å; S467-S471 PolarHBondContact O-N 3.46Å; S468-S471 PolarHBondContact O-N 2.98Å; S468-S471 PolarHBondContact O-OG 3.49Å; Y469-S471 PolarHBondContact O-N 3.39Å; S471-K636 WeakPolarHBondContact OG-CG 3.31Å
472V81.6Confident79.1Confident1 Ų117.4 Ų17.41%0.00610%0.098CC..Hα-helixtrans-102-22.6-174.5164.40000112Y469 W470 P474 E475 V479 L483 T629 Y633Y469-V472 PolarHBondContact O-N 2.59Å; Y469-V472 VanDerWaalsContact O-N 3.16Å; W470-V472 VanDerWaalsContact C-N 3.34Å; V472-P474 VanDerWaalsContact C-N 3.31Å; V472-P474 WeakPolarHBondContact O-CD 3.46Å; V472-P474 VanDerWaalsContact O-N 3.14Å; V472-E475 PolarHBondContact O-N 2.75Å; V472-V479 HydrophobicContact CG1-CG1 4.49Å; V472-L483 HydrophobicContact CG1-CD1 4.25Å; V472-T629 HydrophobicContact CB-CG2 4.29Å; V472-T629 HydrophobicContact CG1-CG2 3.12Å; V472-T629 HydrophobicContact CG2-CG2 4.29Å; V472-Y633 HydrophobicContact CB-CD2 4.47Å; V472-Y633 HydrophobicContact CG2-CD2 4.06Å; V472-Y633 HydrophobicContact CG2-CG 4.48Å
473Y74.9Confident78.7Confident13 Ų1317.6 Ų17.65%0.05110%0.099CC..THydrogen-bonded Turntrans-45.7-41.4-179.6-171.7-105.5000116T285 Y339 Q356 Y469 W470 E475 D480T285-Y473 HydrophobicContact CG2-CE1 4.16Å; T285-Y473 WeakPolarHBondContact CG2-OH 3.41Å; Y339-Y473 HydrophobicContact CD1-CE1 4.28Å; Y339-Y473 AromaticContact CE1-CE1 3.68Å; Y339-Y473 HydrophobicContact CE1-CE1 3.68Å; Q356-Y473 PolarHBondContact NE2-OH 3.46Å; Q356-Y473 PolarHBondContact OE1-OH 3.03Å; Y469-Y473 AromaticContact CE1-CD2 3.9Å; Y469-Y473 HydrophobicContact CE1-CD2 3.9Å; Y469-Y473 HydrophobicContact CE1-CE2 4.44Å; Y469-Y473 HydrophobicContact CE1-CG 4.37Å; Y469-Y473 HydrophobicContact CE2-CD2 4.07Å; Y469-Y473 AromaticContact CZ-CD2 3.45Å; Y469-Y473 VanDerWaalsContact CZ-CD2 3.45Å; Y469-Y473 AromaticContact CZ-CE2 3.85Å; Y469-Y473 WeakPolarHBondContact O-CB 3.43Å; Y469-Y473 PolarHBondContact O-N 2.65Å; Y469-Y473 WeakPolarHBondContact OH-CD2 3.18Å; Y469-Y473 WeakPolarHBondContact OH-CE2 3.42Å; W470-Y473 HydrophobicContact CE3-CD1 4.15Å; W470-Y473 HydrophobicContact CE3-CG 4.33Å; W470-Y473 AromaticContact CZ3-CD1 3.89Å; W470-Y473 HydrophobicContact CZ3-CD1 3.89Å; W470-Y473 HydrophobicContact CZ3-CE1 4.17Å; W470-Y473 HydrophobicContact CZ3-CG 4.38Å; Y473-E475 VanDerWaalsContact C-N 3.28Å; Y473-E475 PolarHBondContact O-N 3.24Å; Y473-D480 HydrophobicContact CE2-CB 4.15Å
474P67.8Low78.3Confident75 Ų7519 Ų1949%0.48711%0.108SC..THydrogen-bonded Turntrans-71.6-22.3-177.8-12.627.7000113.5Q434 V472Q434-P474 HydrophobicContact CG-CG 4.49Å; V472-P474 VanDerWaalsContact C-N 3.31Å; V472-P474 WeakPolarHBondContact O-CD 3.46Å; V472-P474 VanDerWaalsContact O-N 3.14Å
475E62.3Low78Confident63 Ų6319.8 Ų19.829%0.29411%0.112SC..THydrogen-bonded Turntrans-83.5-35.3-167-62.6-174.4171.400112.4V472 Y473 K625 T629V472-E475 PolarHBondContact O-N 2.75Å; Y473-E475 VanDerWaalsContact C-N 3.28Å; Y473-E475 PolarHBondContact O-N 3.24Å; E475-K625 WeakPolarHBondContact O-CE 3.48Å; E475-K625 PolarHBondContact O-NZ 3.41Å; E475-T629 PolarHBondContact OE2-OG1 3.39Å
476L64.8Low77.9Confident9 Ų920.1 Ų20.15%0.04712%0.115CC..SBendtrans-120.6139.9-172-75.9-178.7000111.4V479 L614 L618 V621 K625 T629L476-V479 HydrophobicContact CB-CG2 3.14Å; L476-V479 HydrophobicContact CD1-CG2 4.22Å; L476-V479 HydrophobicContact CG-CG2 4.29Å; L476-V479 WeakPolarHBondContact O-CG2 3.5Å; L476-L614 HydrophobicContact CD1-CD1 4.46Å; L476-L618 HydrophobicContact CD1-CD1 4.01Å; L476-V621 HydrophobicContact CD2-CG1 3.57Å; L476-V621 HydrophobicContact CD2-CG2 4.44Å; L476-K625 HydrophobicContact CD2-CD 4.19Å; L476-K625 HydrophobicContact CD2-CG 4.06Å; L476-T629 HydrophobicContact CD1-CG2 3.32Å; L476-T629 HydrophobicContact CG-CG2 3.89Å
477V62.1Low77.7Confident76 Ų7621.7 Ų21.746%0.46113%0.126SC..THydrogen-bonded Turntrans-77.4137.6172.8-174.60000107.6V479 K521 L618V477-V479 PolarHBondContact O-N 3.31Å; V477-K521 HydrophobicContact CG1-CD 3.96Å; V477-K521 HydrophobicContact CG1-CG 4.43Å; V477-L618 WeakPolarHBondContact O-CD2 3.22Å
478D65.6Low77.5Confident35 Ų3522.9 Ų22.919%0.18713%0.133CC..THydrogen-bonded Turntrans69.121.4177-52.4-15.6000116.5D480 M481 K521 S524 L618D478-D480 VanDerWaalsContact C-N 3.27Å; D478-D480 VanDerWaalsContact C-OD1 3.26Å; D478-D480 VanDerWaalsContact CA-OD1 3.31Å; D478-D480 WeakPolarHBondContact CA-OD1 3.3Å; D478-D480 PolarHBondContact O-N 3.15Å; D478-M481 PolarHBondContact O-N 3.3Å; D478-K521 WeakPolarHBondContact OD1-CE 3.33Å; D478-S524 PolarHBondContact OD2-OG 2.63Å; D478-L618 HydrophobicContact CB-CD2 4.35Å
479V65.8Low77Confident1 Ų130 Ų301%0.00617%0.17CC..G310 helixtrans-63.8-32.4175.1178.10000113Y469 V472 L476 V477 M481 L482 L483Y469-V479 HydrophobicContact CE2-CG1 4.24Å; V472-V479 HydrophobicContact CG1-CG1 4.49Å; L476-V479 HydrophobicContact CB-CG2 3.14Å; L476-V479 HydrophobicContact CD1-CG2 4.22Å; L476-V479 HydrophobicContact CG-CG2 4.29Å; L476-V479 WeakPolarHBondContact O-CG2 3.5Å; V477-V479 PolarHBondContact O-N 3.31Å; V479-M481 PolarHBondContact O-N 3.12Å; V479-M481 VanDerWaalsContact O-N 3.1Å; V479-L482 PolarHBondContact O-N 3.19Å; V479-L483 HydrophobicContact CG1-CB 4.02Å; V479-L483 HydrophobicContact CG1-CD1 3.49Å; V479-L483 VanDerWaalsContact CG1-CD1 3.49Å; V479-L483 HydrophobicContact CG1-CG 3.8Å; V479-L483 PolarHBondContact O-N 3.36Å
480D66.7Low76.7Confident4 Ų434.5 Ų34.52%0.02120%0.198CC..G310 helixtrans-54.5-26.4178.853.3-46.7000114Q356 Y469 Y473 D478Q356-D480 VanDerWaalsContact NE2-CB 3.27Å; Q356-D480 PolarHBondContact NE2-OD2 3.04Å; Y469-D480 WeakPolarHBondContact OH-CA 3.21Å; Y469-D480 WeakPolarHBondContact OH-CB 3.49Å; Y473-D480 HydrophobicContact CE2-CB 4.15Å; D478-D480 VanDerWaalsContact C-N 3.27Å; D478-D480 VanDerWaalsContact C-OD1 3.26Å; D478-D480 VanDerWaalsContact CA-OD1 3.31Å; D478-D480 WeakPolarHBondContact CA-OD1 3.3Å; D478-D480 PolarHBondContact O-N 3.15Å
481M70.8Confident76.5Confident11 Ų1134.8 Ų34.85%0.05420%0.199CC..G310 helixtrans-95-12.5-179-58.2-59.6-176.400113.4D478 V479 N525 Y528D478-M481 PolarHBondContact O-N 3.3Å; V479-M481 PolarHBondContact O-N 3.12Å; V479-M481 VanDerWaalsContact O-N 3.1Å; M481-N525 HydrophobicContact CE-CB 4.43Å; M481-N525 WeakPolarHBondContact CE-OD1 3.13Å; M481-Y528 HydrophobicContact CB-CD2 3.96Å; M481-Y528 HydrophobicContact CB-CE2 3.66Å; M481-Y528 HydrophobicContact CE-CD1 4.04Å; M481-Y528 HydrophobicContact CE-CE1 4.45Å; M481-Y528 HydrophobicContact CE-CG 4.27Å; M481-Y528 HydrophobicContact CG-CD2 3.93Å; M481-Y528 HydrophobicContact CG-CE2 3.99Å; M481-Y528 HydrophobicContact CG-CG 4.25Å; M481-Y528 HydrophobicContact SD-CD1 3.63Å; M481-Y528 HydrophobicContact SD-CD2 4.01Å; M481-Y528 HydrophobicContact SD-CE1 3.53Å; M481-Y528 VanDerWaalsContact SD-CE1 3.53Å; M481-Y528 HydrophobicContact SD-CE2 3.91Å; M481-Y528 HydrophobicContact SD-CG 3.9Å
482L79.8Confident75.9Confident10 Ų1040 Ų405%0.05222%0.224CC..THydrogen-bonded Turntrans-113.3-35.9-170.9-60.7179.1000113V479 Y538 L614 H617 L618V479-L482 PolarHBondContact O-N 3.19Å; L482-Y538 WeakPolarHBondContact O-CB 3.23Å; L482-Y538 PolarHBondContact O-N 3.04Å; L482-L614 HydrophobicContact CB-CD2 4.24Å; L482-L614 HydrophobicContact CD1-CD2 3.93Å; L482-H617 HydrophobicContact CD1-CB 3.87Å; L482-H617 HydrophobicContact CD2-CB 3.54Å; L482-H617 HydrophobicContact CG-CB 4.38Å; L482-L618 HydrophobicContact CD1-CD1 4.15Å; L482-L618 HydrophobicContact CD1-CD2 3.67Å; L482-L618 HydrophobicContact CD1-CG 3.65Å
483L85.3Confident75.7Confident4 Ų444.8 Ų44.82%0.02125%0.246CC..SBendtrans-97.7142.9178.2-67.7-175.4000111.2Y469 V472 V479 H485 L610 Y633Y469-L483 HydrophobicContact CD2-CB 4.15Å; V472-L483 HydrophobicContact CG1-CD1 4.25Å; V479-L483 HydrophobicContact CG1-CB 4.02Å; V479-L483 HydrophobicContact CG1-CD1 3.49Å; V479-L483 VanDerWaalsContact CG1-CD1 3.49Å; V479-L483 HydrophobicContact CG1-CG 3.8Å; V479-L483 PolarHBondContact O-N 3.36Å; L483-H485 PolarHBondContact O-N 3.5Å; L483-L610 HydrophobicContact CD2-CD1 3.63Å; L483-Y633 HydrophobicContact CD1-CD2 3.83Å; L483-Y633 HydrophobicContact CD1-CE2 3.84Å
484P86.3Confident75.7Confident29 Ų2952.8 Ų52.819%0.18828%0.284CS..  trans-63.7136.3168.729.1-33.5000109.5I465I465-P484 HydrophobicContact CG2-CB 4.05Å; I465-P484 HydrophobicContact CG2-CG 4.3Å; I465-P484 WeakPolarHBondContact CG2-O 3.4Å
485H85.3Confident76.4Confident18 Ų1850.3 Ų50.38%0.08327%0.266CS..  trans-111.8-6.9177.561-89.2000112.4H357 H363 H427 Y469 L483H357-H485 AromaticContact CD2-CD2 3.53Å; H357-H485 AromaticContact CD2-CG 3.71Å; H357-H485 AromaticContact CE1-CD2 3.99Å; H357-H485 AromaticContact CE1-CE1 3.77Å; H357-H485 AromaticContact CE1-CG 3.58Å; H357-H485 AromaticContact CE1-ND1 3.45Å; H357-H485 PolarHBondContact CE1-ND1 2.81Å; H357-H485 AromaticContact CG-CD2 3.49Å; H357-H485 VanDerWaalsContact CG-CD2 3.49Å; H357-H485 AromaticContact CG-CE1 3.81Å; H357-H485 AromaticContact CG-CG 3.88Å; H357-H485 AromaticContact CG-NE2 3.47Å; H357-H485 AromaticContact ND1-CD2 3.83Å; H357-H485 AromaticContact ND1-CE1 3.42Å; H357-H485 PolarHBondContact ND1-CE1 3.03Å; H357-H485 AromaticContact ND1-CG 3.84Å; H357-H485 AromaticContact ND1-ND1 3.6Å; H357-H485 AromaticContact ND1-NE2 3.59Å; H357-H485 AromaticContact NE2-CD2 3.84Å; H357-H485 AromaticContact NE2-CG 3.52Å; H357-H485 AromaticContact NE2-ND1 3.89Å; H363-H485 AromaticContact CE1-CD2 3.81Å; H427-H485 PolarHBondContact CE1-O 3.27Å; Y469-H485 HydrophobicContact CD1-CB 3.86Å; Y469-H485 HydrophobicContact CD2-CB 3.87Å; Y469-H485 HydrophobicContact CE1-CB 3.93Å; Y469-H485 HydrophobicContact CE2-CB 3.93Å; Y469-H485 HydrophobicContact CG-CB 3.83Å; L483-H485 PolarHBondContact O-N 3.5Å
486S89.3Confident77.2Confident12 Ų1250.7 Ų50.78%0.08427%0.274CS..  trans-147.6155.1173.6-176.70000110.5M423 E462 V488M423-S486 VanDerWaalsContact CE-OG 3.26Å; M423-S486 WeakPolarHBondContact CE-OG 3.45Å; E462-S486 VanDerWaalsContact CD-OG 3.29Å; E462-S486 WeakPolarHBondContact OE1-CA 3.48Å; E462-S486 WeakPolarHBondContact OE1-CB 3.46Å; E462-S486 PolarHBondContact OE1-OG 2.78Å; E462-S486 PolarHBondContact OE2-OG 3.2Å; S486-V488 VanDerWaalsContact C-N 3.27Å; S486-V488 PolarHBondContact OG-N 3.25Å; S486-V488 VanDerWaalsContact OG-N 3.14Å
487S88.1Confident77.8Confident33 Ų3352.5 Ų52.523%0.23130%0.295CS..SBendtrans-73.1-21.7168.267.50000112.3E462E462-S487 VanDerWaalsContact OE2-CB 3.27Å; E462-S487 WeakPolarHBondContact OE2-CB 3.46Å; E462-S487 PolarHBondContact OE2-N 2.86Å; E462-S487 PolarHBondContact OE2-OG 2.95Å
488V86.6Confident78.9Confident27 Ų2749.7 Ų49.716%0.16428%0.277CS..  trans-97.8129.3-178.2-177.70000110.1F457 S486 T490 W491F457-V488 HydrophobicContact CB-CG2 3.8Å; S486-V488 VanDerWaalsContact C-N 3.27Å; S486-V488 PolarHBondContact OG-N 3.25Å; S486-V488 VanDerWaalsContact OG-N 3.14Å; V488-T490 WeakPolarHBondContact CG1-O 3.01Å; V488-W491 HydrophobicContact CG1-CE3 4.33Å
489L79.3Confident79.9Confident149 Ų14953.6 Ų53.678%0.7830%0.296SS*.SBendtrans-85.1-33.4177.6-65.7174.9000113
490T79.9Confident80.9Confident96 Ų9656.2 Ų56.259%0.58931%0.309SS*.  trans-146.3139.7-178.955.40000110V488V488-T490 WeakPolarHBondContact CG1-O 3.01Å
491W80.8Confident82.1Confident26 Ų2659.6 Ų59.610%0.09833%0.33CS..  trans-110.9115.1173.9-168.7-88.3000110C362 D419 C420 F457 V488 E493C362-W491 HydrophobicContact CB-CB 4.21Å; C362-W491 HydrophobicContact CB-CD2 3.4Å; C362-W491 VanDerWaalsContact CB-CD2 3.4Å; C362-W491 HydrophobicContact CB-CE3 3.7Å; C362-W491 HydrophobicContact CB-CG 3.62Å; C362-W491 HydrophobicContact CB-CZ2 4.38Å; C362-W491 HydrophobicContact CB-CZ3 4.29Å; C362-W491 VanDerWaalsContact SG-CE3 3.59Å; D419-W491 HydrophobicContact CB-CH2 4.44Å; C420-W491 HydrophobicContact CB-CH2 4.44Å; C420-W491 HydrophobicContact CB-CZ2 3.65Å; F457-W491 HydrophobicContact CD1-CH2 4.3Å; F457-W491 HydrophobicContact CD1-CZ3 4.14Å; V488-W491 HydrophobicContact CG1-CE3 4.33Å; W491-E493 HydrophobicContact CZ2-CB 4.26Å; W491-E493 HydrophobicContact CZ2-CG 4.48Å; W491-E493 WeakPolarHBondContact CZ2-OE2 3.06Å; W491-E493 PolarHBondContact NE1-O 3.46Å; W491-E493 VanDerWaalsContact NE1-O 3.15Å
492N72.1Confident83Confident148 Ų14862.7 Ų62.779%0.79135%0.349SS*.  trans-103.8-6.1-175-64.8-22.5000113.5
493E77.2Confident83.5Confident101 Ų10166.2 Ų66.247%0.47237%0.366SS..SBendtrans-83.1141.5178.7-57.7178.4-177.600110.8S456 W491S456-E493 WeakPolarHBondContact CB-OE1 3.49Å; S456-E493 PolarHBondContact OG-OE1 3.15Å; S456-E493 PolarHBondContact OG-OE2 3.43Å; W491-E493 HydrophobicContact CZ2-CB 4.26Å; W491-E493 HydrophobicContact CZ2-CG 4.48Å; W491-E493 WeakPolarHBondContact CZ2-OE2 3.06Å; W491-E493 PolarHBondContact NE1-O 3.46Å; W491-E493 VanDerWaalsContact NE1-O 3.15Å
494E74.9Confident83.6Confident181 Ų18175.1 Ų75.185%0.84641%0.407SS*.PPolyproline II helixtrans-70.3144175.9-65.6-179.1174.500111.1P496E494-P496 WeakPolarHBondContact O-CD 3.17Å
495I81.3Confident83.6Confident23 Ų2375.4 Ų75.412%0.11841%0.407CS..PPolyproline II helixtrans-85.7120.2172.1-64.3177.8000108I361 F366 G497 I498I361-I495 HydrophobicContact CB-CD1 4.19Å; I361-I495 HydrophobicContact CG2-CD1 3.41Å; I361-I495 VanDerWaalsContact CG2-CD1 3.41Å; F366-I495 HydrophobicContact CB-CG2 4.35Å; I495-G497 PolarHBondContact O-N 3.42Å; I495-I498 HydrophobicContact CG2-CD1 4.37Å; I495-I498 PolarHBondContact O-N 2.99Å; I495-I498 VanDerWaalsContact O-O 3.07Å
496P80Confident83.6Confident72 Ų7278.5 Ų78.547%0.46843%0.429SS..THydrogen-bonded Turntrans-59.8135.7-177.7-23.433.1000112.5L418 E494 I498L418-P496 HydrophobicContact CD1-CB 4.5Å; L418-P496 HydrophobicContact CD1-CG 3.4Å; L418-P496 VanDerWaalsContact CD1-CG 3.4Å; E494-P496 WeakPolarHBondContact O-CD 3.17Å; P496-I498 VanDerWaalsContact C-N 3.33Å
497G76.9Confident83.3Confident46 Ų4680.2 Ų80.247%0.47444%0.437SS..THydrogen-bonded Turntrans84.6-1.1177.500000115.2S319 I495S319-G497 WeakPolarHBondContact CB-O 3.06Å; S319-G497 PolarHBondContact OG-O 3.22Å; I495-G497 PolarHBondContact O-N 3.42Å
498I85Confident83.1Confident17 Ų1778.7 Ų78.79%0.08743%0.426CS..  trans-134.8130.2172-54.8164.6000111.3F317 T318 F366 I495 P496F317-I498 HydrophobicContact CB-CG2 3.89Å; F317-I498 HydrophobicContact CD1-CG2 3.81Å; F317-I498 HydrophobicContact CG-CG2 4.35Å; T318-I498 CarbonylContact O-C 3.48Å; T318-I498 WeakPolarHBondContact O-CA 3.39Å; F366-I498 HydrophobicContact CB-CD1 3.51Å; F366-I498 HydrophobicContact CB-CG1 4.46Å; F366-I498 HydrophobicContact CD1-CD1 3.62Å; F366-I498 HydrophobicContact CD1-CG1 3.62Å; F366-I498 HydrophobicContact CD2-CD1 3.18Å; F366-I498 HydrophobicContact CD2-CG1 3.73Å; F366-I498 HydrophobicContact CE1-CD1 4.04Å; F366-I498 HydrophobicContact CE1-CG1 3.56Å; F366-I498 HydrophobicContact CE2-CD1 3.62Å; F366-I498 HydrophobicContact CE2-CG1 3.64Å; F366-I498 HydrophobicContact CG-CD1 3.15Å; F366-I498 HydrophobicContact CG-CG1 3.69Å; F366-I498 HydrophobicContact CZ-CD1 4.03Å; F366-I498 HydrophobicContact CZ-CG1 3.56Å; I495-I498 HydrophobicContact CG2-CD1 4.37Å; I495-I498 PolarHBondContact O-N 2.99Å; I495-I498 VanDerWaalsContact O-O 3.07Å; P496-I498 VanDerWaalsContact C-N 3.33Å
499M86.3Confident83Confident118 Ų11883 Ų8358%0.58145%0.447SS*.EExtended strand (participates in β ladder)trans-90.1135161.4-62.3-153.3-61.100110.3F317 T318F317-M499 CarbonylContact C-O 3.56Å; F317-M499 WeakPolarHBondContact CA-O 3.43Å; T318-M499 PolarHBondContact N-O 2.95Å; T318-M499 PolarHBondContact O-N 2.86Å
500L88.4Confident83.4Confident55 Ų5577.3 Ų77.329%0.28842%0.417SS..EExtended strand (participates in β ladder)trans-116.1130.3178.6169.567.7000110.7K315 T316 F317 I361K315-L500 HydrophobicContact CB-CD1 3.68Å; K315-L500 HydrophobicContact CD-CD1 4.01Å; K315-L500 HydrophobicContact CG-CD1 4.01Å; T316-L500 WeakPolarHBondContact O-CA 3.37Å; F317-L500 HydrophobicContact CD1-CD1 3.93Å; F317-L500 HydrophobicContact CE1-CD1 3.64Å; F317-L500 HydrophobicContact CZ-CD1 3.99Å; I361-L500 HydrophobicContact CB-CD2 4.41Å; I361-L500 HydrophobicContact CD1-CD2 3.11Å; I361-L500 HydrophobicContact CG1-CD2 3.48Å; I361-L500 VanDerWaalsContact CG1-CD2 3.48Å; I361-L500 HydrophobicContact CG2-CD2 4.07Å
501V90Very high83.7Confident76 Ų7677.4 Ų77.446%0.46141%0.409SS..EExtended strand (participates in β ladder)trans-117.5128.1167.2-177.60000108.7K315 T316 E503K315-V501 CarbonylContact C-O 3.54Å; K315-V501 WeakPolarHBondContact CA-O 3.32Å; T316-V501 PolarHBondContact N-O 3.43Å; T316-V501 PolarHBondContact O-N 2.8Å; V501-E503 HydrophobicContact CG1-CG 4.32Å
502T89.9Confident83.9Confident75 Ų7577.9 Ų77.946%0.4642%0.415SS..EExtended strand (participates in β ladder)trans-111.5129176.1-55.70000109.7Y313 R314 K315Y313-T502 HydrophobicContact CD2-CG2 4.35Å; Y313-T502 HydrophobicContact CG-CG2 4.47Å; R314-T502 WeakPolarHBondContact O-CA 3.45Å; K315-T502 HydrophobicContact CG-CG2 4.23Å
503E90.3Very high84Confident85 Ų8581.6 Ų81.640%0.39742%0.42SS..EExtended strand (participates in β ladder)trans-124.9133.5-179.2-65.9170.4-178.800109.7Y313 R314 V501Y313-E503 CarbonylContact C-O 3.55Å; Y313-E503 VanDerWaalsContact CA-O 3.23Å; Y313-E503 WeakPolarHBondContact CA-O 3.45Å; Y313-E503 VanDerWaalsContact CB-O 3.27Å; Y313-E503 WeakPolarHBondContact CB-O 3.41Å; R314-E503 HydrophobicContact CB-CB 4.44Å; R314-E503 PolarHBondContact N-O 2.94Å; R314-E503 PolarHBondContact O-N 2.82Å; V501-E503 HydrophobicContact CG1-CG 4.32Å
504E88.3Confident84.1Confident190 Ų19081.7 Ų81.789%0.88843%0.432SS*.EExtended strand (participates in β ladder)trans-73.4139.5173.8-67-176.4175.900110.8
505L85.9Confident84.5Confident35 Ų3574.5 Ų74.518%0.18340%0.398CS..  trans-113.8151.6177.9-66.8173.7000110.3F307 L309 G312 R314 L507F307-L505 HydrophobicContact CB-CD1 4.38Å; F307-L505 HydrophobicContact CD1-CD1 3.73Å; L309-L505 HydrophobicContact CD2-CD1 4.34Å; G312-L505 PolarHBondContact O-N 3.46Å; R314-L505 HydrophobicContact CB-CD1 4.01Å; R314-L505 HydrophobicContact CB-CD2 4.33Å; R314-L505 HydrophobicContact CB-CG 4.16Å; L505-L507 PolarHBondContact O-N 3.39Å
506P85.1Confident84.5Confident83 Ų8377.8 Ų77.854%0.53942%0.42SS..PPolyproline II helixtrans-57.5142165.526.8-33.7000109.6M245M245-P506 WeakPolarHBondContact CE-O 3.32Å; M245-P506 HydrophobicContact SD-CG 4.48Å
507L82.8Confident84.7Confident49 Ų4977.3 Ų77.326%0.25743%0.428SS..PPolyproline II helixtrans-72.9144.7-179.9-68.8170000111.5L505 L526 V529 K530L505-L507 PolarHBondContact O-N 3.39Å; L507-L526 HydrophobicContact CD2-CD2 4.38Å; L507-V529 HydrophobicContact CD1-CB 4.38Å; L507-V529 HydrophobicContact CD1-CG1 4.08Å; L507-V529 HydrophobicContact CD2-CB 4.02Å; L507-V529 HydrophobicContact CD2-CG1 3.65Å; L507-V529 HydrophobicContact CG-CG1 4.47Å; L507-K530 HydrophobicContact CD1-CB 4.3Å; L507-K530 HydrophobicContact CD1-CD 4.48Å; L507-K530 HydrophobicContact CD1-CG 3.35Å
508L84.7Confident85.1Confident1 Ų176.4 Ų76.41%0.00541%0.411CS..PPolyproline II helixtrans-66.2135.1-178.5-174.1141.6000109.9F243 M245 L288 L309 M510 L526F243-L508 HydrophobicContact CB-CD1 4.29Å; F243-L508 HydrophobicContact CB-CD2 3.64Å; F243-L508 HydrophobicContact CB-CG 4.03Å; F243-L508 HydrophobicContact CD1-CD1 4.11Å; F243-L508 HydrophobicContact CD1-CD2 4.17Å; F243-L508 HydrophobicContact CD2-CD1 3.53Å; F243-L508 HydrophobicContact CD2-CD2 4.44Å; F243-L508 HydrophobicContact CD2-CG 4.11Å; F243-L508 HydrophobicContact CE1-CD1 4.29Å; F243-L508 HydrophobicContact CE2-CD1 3.75Å; F243-L508 HydrophobicContact CG-CD1 3.73Å; F243-L508 HydrophobicContact CG-CD2 3.86Å; F243-L508 HydrophobicContact CG-CG 4.03Å; F243-L508 HydrophobicContact CZ-CD1 4.13Å; M245-L508 HydrophobicContact CB-CD1 4.42Å; M245-L508 HydrophobicContact CE-CB 3.67Å; M245-L508 HydrophobicContact CE-CG 4.43Å; L288-L508 HydrophobicContact CD2-CD1 3.88Å; L309-L508 HydrophobicContact CB-CD1 4.34Å; L309-L508 HydrophobicContact CD1-CD1 4.18Å; L508-M510 HydrophobicContact CD2-CG 4.3Å; L508-M510 HydrophobicContact CD2-SD 3.57Å; L508-M510 VanDerWaalsContact CD2-SD 3.57Å; L508-L526 HydrophobicContact CB-CD1 3.94Å; L508-L526 HydrophobicContact CB-CD2 3.97Å; L508-L526 HydrophobicContact CD2-CD1 3.67Å; L508-L526 HydrophobicContact CG-CD1 4.44Å
509L83.9Confident85.3Confident117 Ų11775.8 Ų75.861%0.61341%0.407SS*.EExtended strand (participates in β ladder)trans-105.6116177.9-67.2173.7000110F243F243-L509 WeakPolarHBondContact CB-O 3.39Å
510M87.6Confident85.3Confident29 Ų2972 Ų7214%0.14340%0.395CS..EExtended strand (participates in β ladder)trans-70.7131.7171.3-63.8-58.8-66.800109.6M242 F243 L508 L515 W519 L522 N523M242-M510 HydrophobicContact CB-CE 4.38Å; M242-M510 HydrophobicContact CE-CE 3.86Å; F243-M510 HydrophobicContact CB-SD 4.36Å; L508-M510 HydrophobicContact CD2-CG 4.3Å; L508-M510 HydrophobicContact CD2-SD 3.57Å; L508-M510 VanDerWaalsContact CD2-SD 3.57Å; M510-L515 HydrophobicContact CB-CD1 4.21Å; M510-L515 HydrophobicContact CE-CD1 3.87Å; M510-L515 HydrophobicContact CE-CD2 3.74Å; M510-L515 HydrophobicContact CE-CG 4.48Å; M510-L515 HydrophobicContact CG-CD1 4.01Å; M510-W519 HydrophobicContact CE-CB 4.36Å; M510-W519 HydrophobicContact CE-CD2 4.29Å; M510-W519 HydrophobicContact CE-CE3 3.64Å; M510-W519 HydrophobicContact CE-CZ3 4.32Å; M510-W519 HydrophobicContact SD-CE3 4.49Å; M510-L522 HydrophobicContact SD-CD2 4.43Å; M510-N523 HydrophobicContact CG-CB 4.35Å; M510-N523 WeakPolarHBondContact CG-OD1 3.23Å
511K87Confident85.1Confident98 Ų9870.9 Ų70.943%0.42639%0.388SS..SBendtrans-86.7-13.3176.9-73-166.8170-168.20113.5L241 M242 E244L241-K511 HydrophobicContact CD2-CD 3.59Å; L241-K511 HydrophobicContact CG-CD 4.02Å; M242-K511 PolarHBondContact O-N 3.28Å; E244-K511 HydrophobicContact CG-CD 4.4Å; E244-K511 IonicContact OE1-NZ 2.72Å; E244-K511 PolarHBondContact OE1-NZ 3.15Å; E244-K511 VanDerWaalsContact OE2-CE 3.24Å; E244-K511 WeakPolarHBondContact OE2-CE 3.42Å; E244-K511 IonicContact OE2-NZ 2.72Å; E244-K511 PolarHBondContact OE2-NZ 3.37Å
512V84.6Confident84.9Confident36 Ų3667.3 Ų67.322%0.21837%0.366CS..  trans-111.3136-177.5-179.10000109.6M242 L515M242-V512 HydrophobicContact CE-CB 4.25Å; M242-V512 HydrophobicContact CE-CG2 4.23Å; M242-V512 HydrophobicContact SD-CG2 4.03Å; V512-L515 HydrophobicContact CB-CD2 3.86Å; V512-L515 HydrophobicContact CG1-CD2 4.01Å; V512-L515 WeakPolarHBondContact O-CD2 3.38Å
513Y73.5Confident84.7Confident227 Ų22765.8 Ų65.889%0.8936%0.355SS*.SBendtrans-92-34.2-177.1-63.8-79.3000113.7L515Y513-L515 PolarHBondContact O-N 3.39Å
514S79.3Confident84.3Confident103 Ų10363.9 Ų63.972%0.7235%0.352SS*.SBendtrans-92.476.7-179.857.60000111
515L83.1Confident83.9Confident29 Ų2955 Ų5515%0.15231%0.31CS..  trans-88.8139.9-177.6-57.1176.4000111.3M242 M510 V512 Y513 W519 A520 N523M242-L515 HydrophobicContact CE-CD2 3.67Å; M510-L515 HydrophobicContact CB-CD1 4.21Å; M510-L515 HydrophobicContact CE-CD1 3.87Å; M510-L515 HydrophobicContact CE-CD2 3.74Å; M510-L515 HydrophobicContact CE-CG 4.48Å; M510-L515 HydrophobicContact CG-CD1 4.01Å; V512-L515 HydrophobicContact CB-CD2 3.86Å; V512-L515 HydrophobicContact CG1-CD2 4.01Å; V512-L515 WeakPolarHBondContact O-CD2 3.38Å; Y513-L515 PolarHBondContact O-N 3.39Å; L515-W519 HydrophobicContact CB-CB 4.19Å; L515-W519 HydrophobicContact CD2-CB 3.98Å; L515-W519 HydrophobicContact CG-CB 4.49Å; L515-A520 HydrophobicContact CB-CB 4.26Å; L515-N523 HydrophobicContact CD1-CB 3.5Å; L515-N523 VanDerWaalsContact CD1-CB 3.5Å
516T81.6Confident83.8Confident92 Ų9253.3 Ų53.356%0.56430%0.301SS*.  trans-134.6160.1175.858.70000110.5Y518 W519T516-Y518 PolarHBondContact O-N 3.39Å; T516-W519 PolarHBondContact O-N 2.91Å
517G84.2Confident83.6Confident63 Ų6351.7 Ų51.765%0.64929%0.287SS*.THydrogen-bonded Turntrans58.3-131.9177.700000113.5W519 A520 K521G517-W519 VanDerWaalsContact C-N 3.29Å; G517-W519 PolarHBondContact O-N 3.44Å; G517-A520 PolarHBondContact O-N 2.87Å; G517-K521 PolarHBondContact O-N 2.86Å
518Y86.3Confident83.1Confident26 Ų2651.4 Ų51.410%0.10228%0.282CS..Hα-helixtrans-52.5-42.7179.4166.7-98.5000113.2T282 N283 S287 T516 A520 K521 L522T282-Y518 VanDerWaalsContact CG2-OH 3.26Å; T282-Y518 WeakPolarHBondContact CG2-OH 3.14Å; N283-Y518 VanDerWaalsContact O-CD2 3.3Å; N283-Y518 WeakPolarHBondContact O-CD2 3.41Å; N283-Y518 WeakPolarHBondContact O-CE2 3.47Å; S287-Y518 PolarHBondContact O-OH 3.15Å; T516-Y518 PolarHBondContact O-N 3.39Å; Y518-A520 PolarHBondContact O-N 3.35Å; Y518-K521 WeakPolarHBondContact O-CB 3.08Å; Y518-K521 PolarHBondContact O-N 3.28Å; Y518-K521 VanDerWaalsContact O-N 3.15Å; Y518-L522 HydrophobicContact CE1-CD2 4.35Å; Y518-L522 PolarHBondContact O-N 3.46Å
519W89.4Confident82.8Confident4 Ų453.4 Ų53.42%0.01530%0.295CS..Hα-helixtrans-69.1-34.7-175.6-62.5113.2000112.9R215 C230 Q232 W234 M242 F243 M510 L515 T516 G517 K521 L522 N523R215-W519 HydrophobicContact CG-CZ2 4.39Å; C230-W519 VanDerWaalsContact SG-CH2 3.56Å; Q232-W519 HydrophobicContact CB-CZ2 4.34Å; W234-W519 AromaticContact CH2-CD1 3.91Å; M242-W519 HydrophobicContact CB-CE3 4.4Å; M242-W519 HydrophobicContact CB-CH2 3.96Å; M242-W519 HydrophobicContact CB-CZ2 4.18Å; M242-W519 HydrophobicContact CB-CZ3 4.07Å; M242-W519 HydrophobicContact CE-CB 4.16Å; M242-W519 HydrophobicContact CE-CD2 3.67Å; M242-W519 HydrophobicContact CE-CE3 4.22Å; M242-W519 HydrophobicContact CE-CG 3.62Å; M242-W519 HydrophobicContact CG-CD2 4.36Å; M242-W519 HydrophobicContact CG-CH2 4.01Å; M242-W519 HydrophobicContact CG-CZ2 3.69Å; M242-W519 HydrophobicContact CG-CZ3 4.44Å; F243-W519 HydrophobicContact CD1-CH2 4.42Å; F243-W519 HydrophobicContact CD1-CZ3 4.01Å; F243-W519 HydrophobicContact CE1-CH2 4.18Å; F243-W519 HydrophobicContact CE1-CZ3 4.01Å; M510-W519 HydrophobicContact CE-CB 4.36Å; M510-W519 HydrophobicContact CE-CD2 4.29Å; M510-W519 HydrophobicContact CE-CE3 3.64Å; M510-W519 HydrophobicContact CE-CZ3 4.32Å; M510-W519 HydrophobicContact SD-CE3 4.49Å; L515-W519 HydrophobicContact CB-CB 4.19Å; L515-W519 HydrophobicContact CD2-CB 3.98Å; L515-W519 HydrophobicContact CG-CB 4.49Å; T516-W519 PolarHBondContact O-N 2.91Å; G517-W519 VanDerWaalsContact C-N 3.29Å; G517-W519 PolarHBondContact O-N 3.44Å; W519-K521 VanDerWaalsContact C-N 3.28Å; W519-K521 PolarHBondContact O-N 3Å; W519-L522 HydrophobicContact CE3-CD2 3.95Å; W519-L522 HydrophobicContact CZ3-CD2 3.89Å; W519-N523 WeakPolarHBondContact O-CB 3.47Å; W519-N523 PolarHBondContact O-N 3.23Å
520A85.3Confident82.4Confident40 Ų4051.6 Ų51.633%0.33128%0.282SS..Hα-helixtrans-63-39.917300000110.7L515 G517 Y518 N523 S524L515-A520 HydrophobicContact CB-CB 4.26Å; G517-A520 PolarHBondContact O-N 2.87Å; Y518-A520 PolarHBondContact O-N 3.35Å; A520-N523 PolarHBondContact O-N 3.33Å; A520-S524 PolarHBondContact O-N 2.86Å
521K83.5Confident81.3Confident30 Ų3059 Ų5913%0.1331%0.309CS..Hα-helixtrans-68.5-45.3178.2-163.2168.5-174.7176.60112.7T285 V477 D478 G517 Y518 W519 N523 S524 N525T285-K521 VanDerWaalsContact C-CD 3.44Å; T285-K521 VanDerWaalsContact C-CE 3.47Å; T285-K521 VanDerWaalsContact O-CD 3.32Å; T285-K521 WeakPolarHBondContact O-CD 3.29Å; T285-K521 WeakPolarHBondContact O-CE 3.22Å; V477-K521 HydrophobicContact CG1-CD 3.96Å; V477-K521 HydrophobicContact CG1-CG 4.43Å; D478-K521 WeakPolarHBondContact OD1-CE 3.33Å; G517-K521 PolarHBondContact O-N 2.86Å; Y518-K521 WeakPolarHBondContact O-CB 3.08Å; Y518-K521 PolarHBondContact O-N 3.28Å; Y518-K521 VanDerWaalsContact O-N 3.15Å; W519-K521 VanDerWaalsContact C-N 3.28Å; W519-K521 PolarHBondContact O-N 3Å; K521-N523 VanDerWaalsContact C-N 3.28Å; K521-N523 PolarHBondContact O-N 3.37Å; K521-S524 WeakPolarHBondContact O-CB 3.36Å; K521-S524 PolarHBondContact O-N 3.48Å; K521-N525 PolarHBondContact O-N 3Å
522L87.1Confident79.8Confident1 Ų156.4 Ų56.41%0.00530%0.302CS..Hα-helixtrans-58-43.1173176.664.3000111.1G286 L288 H310 M510 Y518 W519 N525 L526G286-L522 VanDerWaalsContact O-CD1 3.22Å; G286-L522 WeakPolarHBondContact O-CD1 3.27Å; L288-L522 HydrophobicContact CB-CD1 3.89Å; L288-L522 HydrophobicContact CB-CD2 4.45Å; L288-L522 HydrophobicContact CD2-CD2 4.13Å; H310-L522 HydrophobicContact CB-CD1 3.63Å; M510-L522 HydrophobicContact SD-CD2 4.43Å; Y518-L522 HydrophobicContact CE1-CD2 4.35Å; Y518-L522 PolarHBondContact O-N 3.46Å; W519-L522 HydrophobicContact CE3-CD2 3.95Å; W519-L522 HydrophobicContact CZ3-CD2 3.89Å; L522-N525 WeakPolarHBondContact O-CB 3.36Å; L522-N525 PolarHBondContact O-N 2.98Å; L522-L526 HydrophobicContact CD1-CD1 4.48Å; L522-L526 HydrophobicContact CG-CD1 4.19Å; L522-L526 WeakPolarHBondContact O-CG 3.38Å; L522-L526 PolarHBondContact O-N 3.42Å
523N86.4Confident78.1Confident43 Ų4362.8 Ų62.823%0.2333%0.327CS..Hα-helixtrans-66-39.8177.3-165.471.5000112M510 L515 W519 A520 K521 N525 L526 E527M510-N523 HydrophobicContact CG-CB 4.35Å; M510-N523 WeakPolarHBondContact CG-OD1 3.23Å; L515-N523 HydrophobicContact CD1-CB 3.5Å; L515-N523 VanDerWaalsContact CD1-CB 3.5Å; W519-N523 WeakPolarHBondContact O-CB 3.47Å; W519-N523 PolarHBondContact O-N 3.23Å; A520-N523 PolarHBondContact O-N 3.33Å; K521-N523 VanDerWaalsContact C-N 3.28Å; K521-N523 PolarHBondContact O-N 3.37Å; N523-N525 VanDerWaalsContact C-N 3.32Å; N523-N525 PolarHBondContact O-N 3.37Å; N523-L526 PolarHBondContact O-N 2.86Å; N523-L526 VanDerWaalsContact O-N 3.14Å; N523-E527 WeakPolarHBondContact O-CG 3.32Å; N523-E527 PolarHBondContact O-N 2.74Å
524S79.9Confident77Confident46 Ų4656.6 Ų56.632%0.32231%0.314SS..Hα-helixtrans-54.9-47.2172-168.30000111.4D478 A520 K521 L526 E527 Y528D478-S524 PolarHBondContact OD2-OG 2.63Å; A520-S524 PolarHBondContact O-N 2.86Å; K521-S524 WeakPolarHBondContact O-CB 3.36Å; K521-S524 PolarHBondContact O-N 3.48Å; S524-L526 VanDerWaalsContact C-N 3.33Å; S524-L526 PolarHBondContact O-N 3.36Å; S524-E527 PolarHBondContact O-N 3.07Å; S524-Y528 WeakPolarHBondContact O-CB 3.42Å; S524-Y528 PolarHBondContact O-N 2.85Å
525N80.8Confident75.7Confident2 Ų259.2 Ų59.21%0.01132%0.315CS..Hα-helixtrans-60.8-39.8176.1-68.8-20.7000112.5T285 G286 M481 K521 L522 N523 Y528 V529T285-N525 PolarHBondContact O-ND2 3.28Å; G286-N525 PolarHBondContact O-ND2 2.95Å; M481-N525 HydrophobicContact CE-CB 4.43Å; M481-N525 WeakPolarHBondContact CE-OD1 3.13Å; K521-N525 PolarHBondContact O-N 3Å; L522-N525 WeakPolarHBondContact O-CB 3.36Å; L522-N525 PolarHBondContact O-N 2.98Å; N523-N525 VanDerWaalsContact C-N 3.32Å; N523-N525 PolarHBondContact O-N 3.37Å; N525-Y528 WeakPolarHBondContact O-CB 3.38Å; N525-Y528 PolarHBondContact O-N 2.59Å; N525-V529 WeakPolarHBondContact O-CG2 3.24Å; N525-V529 PolarHBondContact O-N 3.33Å
526L84.2Confident74.8Confident0 Ų060.1 Ų60.10%032%0.32CS..Hα-helixtrans-70.1-43.9177.9-68.6166.8000112.2L309 L507 L508 L522 N523 S524 Y528 V529 K530L309-L526 WeakPolarHBondContact O-CD2 3.49Å; L507-L526 HydrophobicContact CD2-CD2 4.38Å; L508-L526 HydrophobicContact CB-CD1 3.94Å; L508-L526 HydrophobicContact CB-CD2 3.97Å; L508-L526 HydrophobicContact CD2-CD1 3.67Å; L508-L526 HydrophobicContact CG-CD1 4.44Å; L522-L526 HydrophobicContact CD1-CD1 4.48Å; L522-L526 HydrophobicContact CG-CD1 4.19Å; L522-L526 WeakPolarHBondContact O-CG 3.38Å; L522-L526 PolarHBondContact O-N 3.42Å; N523-L526 PolarHBondContact O-N 2.86Å; N523-L526 VanDerWaalsContact O-N 3.14Å; S524-L526 VanDerWaalsContact C-N 3.33Å; S524-L526 PolarHBondContact O-N 3.36Å; L526-Y528 VanDerWaalsContact C-N 3.26Å; L526-Y528 PolarHBondContact O-N 2.74Å; L526-V529 PolarHBondContact O-N 3.45Å; L526-K530 WeakPolarHBondContact O-CG 3.26Å; L526-K530 PolarHBondContact O-N 3.42Å
527E79.8Confident74.4Confident50 Ų5058.8 Ų58.823%0.23431%0.307CS..Hα-helixtrans-63.1-35.6175.5-66.3-50.3133.500111.3N523 S524 K530 Y531N523-E527 WeakPolarHBondContact O-CG 3.32Å; N523-E527 PolarHBondContact O-N 2.74Å; S524-E527 PolarHBondContact O-N 3.07Å; E527-K530 PolarHBondContact O-N 3.31Å; E527-K530 IonicContact OE1-NZ 3.52Å; E527-K530 PolarHBondContact OE1-NZ 2.98Å; E527-K530 IonicContact OE2-NZ 2.87Å; E527-Y531 HydrophobicContact CB-CD2 4.33Å; E527-Y531 VanDerWaalsContact O-CD2 3.29Å; E527-Y531 WeakPolarHBondContact O-CD2 3.26Å; E527-Y531 PolarHBondContact O-N 3.02Å; E527-Y531 WeakPolarHBondContact OE2-CE2 3.48Å
528Y73.8Confident74.2Confident42 Ų4256.9 Ų56.917%0.16528%0.28CS..Hα-helixtrans-55.9-53.3170.9179.3-87.8000110.5M481 S524 N525 L526 K530 Y531 T532 L536M481-Y528 HydrophobicContact CB-CD2 3.96Å; M481-Y528 HydrophobicContact CB-CE2 3.66Å; M481-Y528 HydrophobicContact CE-CD1 4.04Å; M481-Y528 HydrophobicContact CE-CE1 4.45Å; M481-Y528 HydrophobicContact CE-CG 4.27Å; M481-Y528 HydrophobicContact CG-CD2 3.93Å; M481-Y528 HydrophobicContact CG-CE2 3.99Å; M481-Y528 HydrophobicContact CG-CG 4.25Å; M481-Y528 HydrophobicContact SD-CD1 3.63Å; M481-Y528 HydrophobicContact SD-CD2 4.01Å; M481-Y528 HydrophobicContact SD-CE1 3.53Å; M481-Y528 VanDerWaalsContact SD-CE1 3.53Å; M481-Y528 HydrophobicContact SD-CE2 3.91Å; M481-Y528 HydrophobicContact SD-CG 3.9Å; S524-Y528 WeakPolarHBondContact O-CB 3.42Å; S524-Y528 PolarHBondContact O-N 2.85Å; N525-Y528 WeakPolarHBondContact O-CB 3.38Å; N525-Y528 PolarHBondContact O-N 2.59Å; L526-Y528 VanDerWaalsContact C-N 3.26Å; L526-Y528 PolarHBondContact O-N 2.74Å; Y528-K530 VanDerWaalsContact C-N 3.28Å; Y528-K530 PolarHBondContact O-N 3.14Å; Y528-Y531 PolarHBondContact O-N 2.88Å; Y528-T532 HydrophobicContact CD1-CG2 4.41Å; Y528-T532 HydrophobicContact CD2-CG2 3.59Å; Y528-T532 HydrophobicContact CE1-CG2 4.48Å; Y528-T532 WeakPolarHBondContact CE1-OG1 3.47Å; Y528-T532 HydrophobicContact CE2-CG2 3.67Å; Y528-T532 HydrophobicContact CG-CG2 3.96Å; Y528-T532 VanDerWaalsContact O-CB 3.23Å; Y528-T532 WeakPolarHBondContact O-CB 3.4Å; Y528-T532 WeakPolarHBondContact O-CG2 3.47Å; Y528-T532 PolarHBondContact O-N 3.42Å; Y528-T532 PolarHBondContact O-OG1 2.88Å; Y528-L536 HydrophobicContact CD2-CD1 4.05Å; Y528-L536 HydrophobicContact CE2-CB 4.32Å; Y528-L536 HydrophobicContact CE2-CD1 3.58Å
529V78.5Confident73.9Confident44 Ų4462.2 Ų62.227%0.26731%0.306SS..Hα-helixtrans-62.1-35.7179.5-177.70000112.1L507 N525 L526L507-V529 HydrophobicContact CD1-CB 4.38Å; L507-V529 HydrophobicContact CD1-CG1 4.08Å; L507-V529 HydrophobicContact CD2-CB 4.02Å; L507-V529 HydrophobicContact CD2-CG1 3.65Å; L507-V529 HydrophobicContact CG-CG1 4.47Å; N525-V529 WeakPolarHBondContact O-CG2 3.24Å; N525-V529 PolarHBondContact O-N 3.33Å; L526-V529 PolarHBondContact O-N 3.45Å
530K75.6Confident73.6Confident78 Ų7862.8 Ų62.834%0.33931%0.309SS..Hα-helixtrans-64.6-43.4178-70.9175.9-1681670113.2L507 L526 E527 Y528L507-K530 HydrophobicContact CD1-CB 4.3Å; L507-K530 HydrophobicContact CD1-CD 4.48Å; L507-K530 HydrophobicContact CD1-CG 3.35Å; L526-K530 WeakPolarHBondContact O-CG 3.26Å; L526-K530 PolarHBondContact O-N 3.42Å; E527-K530 PolarHBondContact O-N 3.31Å; E527-K530 IonicContact OE1-NZ 3.52Å; E527-K530 PolarHBondContact OE1-NZ 2.98Å; E527-K530 IonicContact OE2-NZ 2.87Å; Y528-K530 VanDerWaalsContact C-N 3.28Å; Y528-K530 PolarHBondContact O-N 3.14Å
531Y64.1Low73.6Confident184 Ų18464.2 Ų64.272%0.72232%0.317SS*.Hα-helixtrans-106.3-11.1-165.9-66.3-57.2000114.6E527 Y528E527-Y531 HydrophobicContact CB-CD2 4.33Å; E527-Y531 VanDerWaalsContact O-CD2 3.29Å; E527-Y531 WeakPolarHBondContact O-CD2 3.26Å; E527-Y531 PolarHBondContact O-N 3.02Å; E527-Y531 WeakPolarHBondContact OE2-CE2 3.48Å; Y528-Y531 PolarHBondContact O-N 2.88Å
532T54.2Low73.7Confident44 Ų4465.1 Ų65.127%0.2732%0.324SS..  trans-94.3127-172.860.80000113.2Y528 L536Y528-T532 HydrophobicContact CD1-CG2 4.41Å; Y528-T532 HydrophobicContact CD2-CG2 3.59Å; Y528-T532 HydrophobicContact CE1-CG2 4.48Å; Y528-T532 WeakPolarHBondContact CE1-OG1 3.47Å; Y528-T532 HydrophobicContact CE2-CG2 3.67Å; Y528-T532 HydrophobicContact CG-CG2 3.96Å; Y528-T532 VanDerWaalsContact O-CB 3.23Å; Y528-T532 WeakPolarHBondContact O-CB 3.4Å; Y528-T532 WeakPolarHBondContact O-CG2 3.47Å; Y528-T532 PolarHBondContact O-N 3.42Å; Y528-T532 PolarHBondContact O-OG1 2.88Å; T532-L536 HydrophobicContact CG2-CD1 3.36Å; T532-L536 HydrophobicContact CG2-CG 4.42Å
533K49Very low73.9Confident171 Ų17165.1 Ų65.174%0.74332%0.324SS*.  trans-74.9152.2145.1-72.2-179.9178.31800107.8H535K533-H535 PolarHBondContact O-N 3.48Å
534P50.5Low74Confident97 Ų9768 Ų6863%0.6333%0.332SS*.SBendtrans-6530.1-16925.3-36.3000117.7
535H51.9Low74.5Confident158 Ų15872.5 Ų72.573%0.73134%0.342SS*.  trans-126.327.1-165.4-58-44.4000115.5K533K533-H535 PolarHBondContact O-N 3.48Å
536L65.4Low74.9Confident48 Ų4873.8 Ų73.825%0.25135%0.348SS..  trans-87-13.3172.9-79.8170.1000114.1Y528 T532 Y538 H613 H617Y528-L536 HydrophobicContact CD2-CD1 4.05Å; Y528-L536 HydrophobicContact CE2-CB 4.32Å; Y528-L536 HydrophobicContact CE2-CD1 3.58Å; T532-L536 HydrophobicContact CG2-CD1 3.36Å; T532-L536 HydrophobicContact CG2-CG 4.42Å; L536-Y538 PolarHBondContact O-N 3.31Å; L536-H613 PolarHBondContact O-CE1 3.45Å; L536-H613 PolarHBondContact O-NE2 2.76Å; L536-H617 WeakPolarHBondContact CD2-CE1 3.41Å
537H72.8Confident75.1Confident64 Ų6476 Ų7630%0.29636%0.356SS..SBendtrans-61134.9176.2-62.7125.1000111.4H539H537-H539 PolarHBondContact O-N 3.09Å
538Y79.6Confident75.5Confident23 Ų2378.5 Ų78.59%0.0937%0.368CS..  trans-57.3121.9171.7178.4-107.5000110.3L482 L536 N540 V543 E609 L610 H613L482-Y538 WeakPolarHBondContact O-CB 3.23Å; L482-Y538 PolarHBondContact O-N 3.04Å; L536-Y538 PolarHBondContact O-N 3.31Å; Y538-N540 WeakPolarHBondContact CE1-OD1 3.5Å; Y538-N540 PolarHBondContact OH-OD1 3.3Å; Y538-V543 VanDerWaalsContact OH-CG2 3.23Å; Y538-V543 WeakPolarHBondContact OH-CG2 3.44Å; Y538-E609 HydrophobicContact CE2-CB 4.17Å; Y538-L610 HydrophobicContact CD1-CD1 4.01Å; Y538-L610 HydrophobicContact CD2-CD1 4.1Å; Y538-L610 HydrophobicContact CE1-CB 4.27Å; Y538-L610 HydrophobicContact CE1-CD1 4.27Å; Y538-L610 HydrophobicContact CE2-CB 4.15Å; Y538-L610 HydrophobicContact CE2-CD1 4.37Å; Y538-L610 HydrophobicContact CG-CD1 3.9Å; Y538-H613 HydrophobicContact CD2-CB 3.83Å; Y538-H613 AromaticContact CD2-CG 3.84Å; Y538-H613 HydrophobicContact CE2-CB 4.32Å
539H79.6Confident76.1Confident137 Ų13779.1 Ų79.163%0.63437%0.374SS*.  trans-120.8131.2179.3-148-52.7000110H537 S541H537-H539 PolarHBondContact O-N 3.09Å; H539-S541 PolarHBondContact O-N 3.21Å
540N84.3Confident76.4Confident16 Ų1677.7 Ų77.79%0.08637%0.365CS..THydrogen-bonded Turntrans-72.315.1179.6-68.3-39.5000114.4Y538 V542 V543 R544 L686 C687 F688Y538-N540 WeakPolarHBondContact CE1-OD1 3.5Å; Y538-N540 PolarHBondContact OH-OD1 3.3Å; N540-V542 VanDerWaalsContact C-N 3.33Å; N540-V542 PolarHBondContact O-N 2.94Å; N540-V543 HydrophobicContact CB-CB 4.31Å; N540-V543 PolarHBondContact O-N 3.28Å; N540-R544 WeakPolarHBondContact O-CB 3.34Å; N540-R544 PolarHBondContact O-N 3.41Å; N540-L686 WeakPolarHBondContact CB-O 3.44Å; N540-L686 PolarHBondContact ND2-O 3.06Å; N540-C687 HydrophobicContact CB-CB 3.83Å; N540-F688 WeakPolarHBondContact ND2-CD1 3.48Å; N540-F688 WeakPolarHBondContact ND2-CE1 3.45Å
541S84.6Confident76.8Confident71 Ų7175 Ų7550%0.49735%0.354SS..Hα-helixtrans-64.9-38.2179.459.40000111.9H539 R545H539-S541 PolarHBondContact O-N 3.21Å; S541-R545 PolarHBondContact O-N 3.09Å; S541-R545 VanDerWaalsContact O-N 3.09Å
542V86.8Confident77.7Confident48 Ų4868.8 Ų68.829%0.29134%0.337SS..Hα-helixtrans-67.9-46.7175.1179.80000110.6N540 R544 R545 E546 E609N540-V542 VanDerWaalsContact C-N 3.33Å; N540-V542 PolarHBondContact O-N 2.94Å; V542-R544 VanDerWaalsContact C-N 3.33Å; V542-R544 PolarHBondContact O-N 2.71Å; V542-R545 PolarHBondContact O-N 3.41Å; V542-E546 HydrophobicContact CG1-CG 4.43Å; V542-E546 PolarHBondContact O-N 3.13Å; V542-E609 HydrophobicContact CG1-CG 4.47Å; V542-E609 WeakPolarHBondContact CG1-OE2 3.39Å
543V89.2Confident78.9Confident1 Ų168.6 Ų68.61%0.00633%0.334CS..Hα-helixtrans-55.7-49.4175.51760000110.3Y538 N540 R545 E546 W547 L602 L605 M606 E609Y538-V543 VanDerWaalsContact OH-CG2 3.23Å; Y538-V543 WeakPolarHBondContact OH-CG2 3.44Å; N540-V543 HydrophobicContact CB-CB 4.31Å; N540-V543 PolarHBondContact O-N 3.28Å; V543-R545 VanDerWaalsContact C-N 3.34Å; V543-R545 PolarHBondContact O-N 2.84Å; V543-E546 PolarHBondContact O-N 2.98Å; V543-W547 WeakPolarHBondContact O-CB 3.36Å; V543-W547 PolarHBondContact O-N 2.84Å; V543-L602 HydrophobicContact CG1-CD1 3.54Å; V543-L605 HydrophobicContact CG1-CB 4.46Å; V543-M606 HydrophobicContact CB-CG 4.45Å; V543-M606 HydrophobicContact CG1-CG 3.63Å; V543-M606 HydrophobicContact CG2-CG 4.07Å; V543-E609 HydrophobicContact CG2-CB 3.84Å; V543-E609 HydrophobicContact CG2-CG 3.87Å
544R90.3Very high80.1Confident103 Ų10364.3 Ų64.339%0.38932%0.316SS..Hα-helixtrans-55.6-49.8178.2-175.5176.6-75.7168.5-0.3110.8N540 V542 W547 H548 N684 N685 C687N540-R544 WeakPolarHBondContact O-CB 3.34Å; N540-R544 PolarHBondContact O-N 3.41Å; V542-R544 VanDerWaalsContact C-N 3.33Å; V542-R544 PolarHBondContact O-N 2.71Å; R544-W547 PolarHBondContact O-N 2.9Å; R544-H548 PolarHBondContact O-N 3.01Å; R544-H548 VanDerWaalsContact O-N 3.11Å; R544-H548 PolarHBondContact O-ND1 3.24Å; R544-N684 PolarHBondContact NH2-O 2.95Å; R544-N685 PolarHBondContact NH2-O 2.98Å; R544-C687 VanDerWaalsContact CA-SG 3.58Å; R544-C687 HydrophobicContact CB-CB 4.28Å
545R89.8Confident81Confident141 Ų14167.9 Ų67.953%0.53232%0.322SS..Hα-helixtrans-62.2-49.4-179.9-176.3-175.864.3-148.8-6.8112S541 V542 V543 W547 H548 N549S541-R545 PolarHBondContact O-N 3.09Å; S541-R545 VanDerWaalsContact O-N 3.09Å; V542-R545 PolarHBondContact O-N 3.41Å; V543-R545 VanDerWaalsContact C-N 3.34Å; V543-R545 PolarHBondContact O-N 2.84Å; R545-W547 VanDerWaalsContact C-N 3.33Å; R545-W547 PolarHBondContact O-N 3.05Å; R545-H548 PolarHBondContact O-N 3.45Å; R545-N549 PolarHBondContact O-N 3.45Å; R545-N549 PolarHBondContact O-ND2 3.47Å
546E88.2Confident81.8Confident29 Ų2964.7 Ų64.714%0.13631%0.313CS..Hα-helixtrans-66.1-35.9-178.9-70-50.4122.800112.4V542 V543 N549 L550 R560 L605V542-E546 HydrophobicContact CG1-CG 4.43Å; V542-E546 PolarHBondContact O-N 3.13Å; V543-E546 PolarHBondContact O-N 2.98Å; E546-N549 WeakPolarHBondContact O-CB 3.22Å; E546-N549 PolarHBondContact O-N 2.91Å; E546-L550 WeakPolarHBondContact O-CG 3.44Å; E546-L550 PolarHBondContact O-N 2.78Å; E546-R560 IonicContact OE2-CZ 3.8Å; E546-R560 IonicContact OE2-NH1 3.63Å; E546-R560 PolarHBondContact OE2-NH1 3.24Å; E546-R560 IonicContact OE2-NH2 2.85Å; E546-R560 PolarHBondContact OE2-NH2 2.88Å; E546-L605 HydrophobicContact CB-CD1 4.43Å; E546-L605 HydrophobicContact CB-CD2 4.39Å
547W89.2Confident81.7Confident47 Ų4765.4 Ų65.418%0.17833%0.332CS..Hα-helixtrans-63.4-46.7175.4-17968.4000112.1V543 R544 R545 N549 L550 I551 H598 L602 L605V543-W547 WeakPolarHBondContact O-CB 3.36Å; V543-W547 PolarHBondContact O-N 2.84Å; R544-W547 PolarHBondContact O-N 2.9Å; R545-W547 VanDerWaalsContact C-N 3.33Å; R545-W547 PolarHBondContact O-N 3.05Å; W547-N549 VanDerWaalsContact C-N 3.29Å; W547-N549 PolarHBondContact O-N 3.23Å; W547-L550 PolarHBondContact O-N 3.32Å; W547-I551 HydrophobicContact CD2-CD1 3.68Å; W547-I551 HydrophobicContact CE3-CD1 4.15Å; W547-I551 HydrophobicContact CG-CD1 4.23Å; W547-I551 HydrophobicContact CH2-CD1 3.93Å; W547-I551 HydrophobicContact CZ2-CD1 3.42Å; W547-I551 VanDerWaalsContact CZ2-CD1 3.42Å; W547-I551 HydrophobicContact CZ3-CD1 4.26Å; W547-I551 WeakPolarHBondContact O-CG1 3.35Å; W547-I551 PolarHBondContact O-N 2.82Å; W547-H598 PolarHBondContact NE1-O 2.92Å; W547-L602 HydrophobicContact CB-CD1 4.26Å; W547-L602 HydrophobicContact CD2-CD1 4.4Å; W547-L602 HydrophobicContact CG-CD1 4.01Å; W547-L605 HydrophobicContact CB-CD1 3.91Å
548H88.1Confident81.1Confident102 Ų10269.9 Ų69.947%0.47235%0.351SS..Hα-helixtrans-61.5-38.6174.5-74.384.8000111.9R544 R545 I551 S552R544-H548 PolarHBondContact O-N 3.01Å; R544-H548 VanDerWaalsContact O-N 3.11Å; R544-H548 PolarHBondContact O-ND1 3.24Å; R545-H548 PolarHBondContact O-N 3.45Å; H548-I551 PolarHBondContact O-N 2.85Å; H548-S552 WeakPolarHBondContact O-CB 3.23Å; H548-S552 PolarHBondContact O-N 3.42Å; H548-S552 PolarHBondContact O-OG 3.31Å
549N86.9Confident80.1Confident56 Ų5679.9 Ų79.930%0.29939%0.388SS..Hα-helixtrans-60.5-50.5175.1-70.4-20.9000111R545 E546 W547 I551 S552 E553R545-N549 PolarHBondContact O-N 3.45Å; R545-N549 PolarHBondContact O-ND2 3.47Å; E546-N549 WeakPolarHBondContact O-CB 3.22Å; E546-N549 PolarHBondContact O-N 2.91Å; W547-N549 VanDerWaalsContact C-N 3.29Å; W547-N549 PolarHBondContact O-N 3.23Å; N549-I551 PolarHBondContact O-N 3.45Å; N549-S552 PolarHBondContact O-N 3.13Å; N549-S552 VanDerWaalsContact O-N 3.16Å; N549-S552 PolarHBondContact O-OG 3.29Å; N549-E553 WeakPolarHBondContact O-CB 3.26Å; N549-E553 VanDerWaalsContact O-CG 3.3Å; N549-E553 WeakPolarHBondContact O-CG 3.49Å; N549-E553 PolarHBondContact O-N 3.01Å
550L84.8Confident79.4Confident13 Ų1377.2 Ų77.27%0.06837%0.373CS..Hα-helixtrans-59.9-42178.9-71.2-178000112.7E546 W547 E553 E554 I568 L601 L605E546-L550 WeakPolarHBondContact O-CG 3.44Å; E546-L550 PolarHBondContact O-N 2.78Å; W547-L550 PolarHBondContact O-N 3.32Å; L550-E553 PolarHBondContact O-N 3.16Å; L550-E554 PolarHBondContact O-N 3.43Å; L550-I568 HydrophobicContact CD1-CD1 4.25Å; L550-L601 HydrophobicContact CD1-CD2 4.43Å; L550-L605 HydrophobicContact CD1-CD1 3.75Å; L550-L605 HydrophobicContact CD1-CD2 4.21Å; L550-L605 HydrophobicContact CD1-CG 4.18Å
551I84Confident78.7Confident22 Ų2280.1 Ų80.111%0.11339%0.394CS..Hα-helixtrans-64.9-41.1176.7-68.2170.3000110.9W547 H548 N549 E554 K555W547-I551 HydrophobicContact CD2-CD1 3.68Å; W547-I551 HydrophobicContact CE3-CD1 4.15Å; W547-I551 HydrophobicContact CG-CD1 4.23Å; W547-I551 HydrophobicContact CH2-CD1 3.93Å; W547-I551 HydrophobicContact CZ2-CD1 3.42Å; W547-I551 VanDerWaalsContact CZ2-CD1 3.42Å; W547-I551 HydrophobicContact CZ3-CD1 4.26Å; W547-I551 WeakPolarHBondContact O-CG1 3.35Å; W547-I551 PolarHBondContact O-N 2.82Å; H548-I551 PolarHBondContact O-N 2.85Å; N549-I551 PolarHBondContact O-N 3.45Å; I551-E554 PolarHBondContact O-N 3.27Å; I551-K555 WeakPolarHBondContact O-CG 3.27Å; I551-K555 PolarHBondContact O-N 3.39Å
552S82Confident78.3Confident53 Ų5381.7 Ų81.737%0.37140%0.401SS..Hα-helixtrans-68.5-36.6178.776.70000112.8H548 N549 K555 T556H548-S552 WeakPolarHBondContact O-CB 3.23Å; H548-S552 PolarHBondContact O-N 3.42Å; H548-S552 PolarHBondContact O-OG 3.31Å; N549-S552 PolarHBondContact O-N 3.13Å; N549-S552 VanDerWaalsContact O-N 3.16Å; N549-S552 PolarHBondContact O-OG 3.29Å; S552-K555 PolarHBondContact O-N 3.26Å; S552-T556 WeakPolarHBondContact O-CB 3.27Å; S552-T556 WeakPolarHBondContact O-CG2 3.2Å; S552-T556 PolarHBondContact O-N 2.73Å; S552-T556 PolarHBondContact O-OG1 2.94Å
553E80.3Confident78Confident41 Ų4185.5 Ų85.519%0.19242%0.418CS..Hα-helixtrans-65.9-41.1176.6-76.6174.8-167.400111N549 L550 K555 T556 G557 K558 R560N549-E553 WeakPolarHBondContact O-CB 3.26Å; N549-E553 VanDerWaalsContact O-CG 3.3Å; N549-E553 WeakPolarHBondContact O-CG 3.49Å; N549-E553 PolarHBondContact O-N 3.01Å; L550-E553 PolarHBondContact O-N 3.16Å; E553-K555 VanDerWaalsContact C-N 3.35Å; E553-K555 PolarHBondContact O-N 2.91Å; E553-T556 WeakPolarHBondContact CA-OG1 3.44Å; E553-T556 PolarHBondContact O-N 3.36Å; E553-T556 PolarHBondContact O-OG1 3.36Å; E553-G557 PolarHBondContact O-N 3.34Å; E553-K558 PolarHBondContact O-N 2.88Å; E553-R560 IonicContact OE1-CZ 3.94Å; E553-R560 IonicContact OE1-NE 2.65Å; E553-R560 PolarHBondContact OE1-NE 3.44Å; E553-R560 IonicContact OE1-NH2 3.83Å; E553-R560 WeakPolarHBondContact OE2-CD 3.49Å; E553-R560 WeakPolarHBondContact OE2-CG 3.31Å; E553-R560 IonicContact OE2-NE 3.6Å; E553-R560 PolarHBondContact OE2-NE 2.66Å
554E73.3Confident77.8Confident80 Ų8088.9 Ų88.937%0.37443%0.431SS..Hα-helixtrans-59-44.8173.2-178.2170.9-133.200111.7L550 I551 T556 R597 H598L550-E554 PolarHBondContact O-N 3.43Å; I551-E554 PolarHBondContact O-N 3.27Å; E554-T556 VanDerWaalsContact C-N 3.33Å; E554-T556 PolarHBondContact O-N 3.42Å; E554-R597 IonicContact OE1-CZ 3.09Å; E554-R597 IonicContact OE1-NE 2.95Å; E554-R597 IonicContact OE1-NH1 3.56Å; E554-R597 PolarHBondContact OE1-NH1 3.12Å; E554-R597 IonicContact OE1-NH2 2.72Å; E554-H598 IonicContact OE2-CD2 3.41Å; E554-H598 IonicContact OE2-NE2 3.78Å; E554-H598 PolarHBondContact OE2-NE2 2.69Å
555K70.8Confident77.5Confident172 Ų17285.3 Ų85.375%0.74842%0.42SS*.Hα-helixtrans-67.2-31.2178.2-69.6177.6-177.4-178.60113.5I551 S552 E553I551-K555 WeakPolarHBondContact O-CG 3.27Å; I551-K555 PolarHBondContact O-N 3.39Å; S552-K555 PolarHBondContact O-N 3.26Å; E553-K555 VanDerWaalsContact C-N 3.35Å; E553-K555 PolarHBondContact O-N 2.91Å
556T68Low77.3Confident91 Ų9186.8 Ų86.856%0.55843%0.426SS*.Hα-helixtrans-97-4.2-175.555.30000113.9S552 E553 E554 K558S552-T556 WeakPolarHBondContact O-CB 3.27Å; S552-T556 WeakPolarHBondContact O-CG2 3.2Å; S552-T556 PolarHBondContact O-N 2.73Å; S552-T556 PolarHBondContact O-OG1 2.94Å; E553-T556 WeakPolarHBondContact CA-OG1 3.44Å; E553-T556 PolarHBondContact O-N 3.36Å; E553-T556 PolarHBondContact O-OG1 3.36Å; E554-T556 VanDerWaalsContact C-N 3.33Å; E554-T556 PolarHBondContact O-N 3.42Å; T556-K558 PolarHBondContact O-N 3.5Å
557G63.7Low77.4Confident63 Ų6389.1 Ų89.165%0.64944%0.439SS*.THydrogen-bonded Turntrans69.911.1-179.900000114.6E553 R559E553-G557 PolarHBondContact O-N 3.34Å; G557-R559 PolarHBondContact O-N 2.91Å
558K59.7Low77.5Confident158 Ų15887 Ų8769%0.68743%0.432SS*.  trans-79.7113.7176.9-71.6-178179177.90109.1E553 T556E553-K558 PolarHBondContact O-N 2.88Å; T556-K558 PolarHBondContact O-N 3.5Å
559R57.8Low77.5Confident233 Ų23384.4 Ų84.488%0.87942%0.421SS*.  trans-87.5112.2-176.9-84.3-178.4172.5175.3-2.5112.2G557G557-R559 PolarHBondContact O-N 2.91Å
560R65.5Low77.8Confident81 Ų8184.9 Ų84.931%0.30642%0.423SS..  trans-62.4169.7150.5-89.6-176.6-163.3-1603.5110.3E546 E553 T562E546-R560 IonicContact OE2-CZ 3.8Å; E546-R560 IonicContact OE2-NH1 3.63Å; E546-R560 PolarHBondContact OE2-NH1 3.24Å; E546-R560 IonicContact OE2-NH2 2.85Å; E546-R560 PolarHBondContact OE2-NH2 2.88Å; E553-R560 IonicContact OE1-CZ 3.94Å; E553-R560 IonicContact OE1-NE 2.65Å; E553-R560 PolarHBondContact OE1-NE 3.44Å; E553-R560 IonicContact OE1-NH2 3.83Å; E553-R560 WeakPolarHBondContact OE2-CD 3.49Å; E553-R560 WeakPolarHBondContact OE2-CG 3.31Å; E553-R560 IonicContact OE2-NE 3.6Å; E553-R560 PolarHBondContact OE2-NE 2.66Å; R560-T562 PolarHBondContact O-N 3.38Å; R560-T562 VanDerWaalsContact O-N 3.15Å
561S70Confident78.1Confident77 Ų7784.9 Ų84.954%0.53842%0.424SS..  trans-52.6119.31741760000111.4M563 Y564 V565S561-M563 PolarHBondContact O-N 3.47Å; S561-M563 VanDerWaalsContact O-N 3.11Å; S561-M563 PolarHBondContact OG-N 3.49Å; S561-Y564 WeakPolarHBondContact O-CB 3.47Å; S561-Y564 PolarHBondContact O-N 3.33Å; S561-V565 PolarHBondContact O-N 3.26Å
562T75.8Confident78.5Confident104 Ų10483.9 Ų83.964%0.63842%0.419SS*.Hα-helixtrans-54.3-30.3176.1-48.10000112.1R560 R566R560-T562 PolarHBondContact O-N 3.38Å; R560-T562 VanDerWaalsContact O-N 3.15Å; T562-R566 WeakPolarHBondContact O-CB 3.41Å; T562-R566 PolarHBondContact O-N 3.27Å
563M80.7Confident78.9Confident129 Ų12986 Ų8664%0.63542%0.424SS*.Hα-helixtrans-67.3-38.7178-174.2-177.3-176.600112.5S561 R566 N567S561-M563 PolarHBondContact O-N 3.47Å; S561-M563 VanDerWaalsContact O-N 3.11Å; S561-M563 PolarHBondContact OG-N 3.49Å; M563-R566 PolarHBondContact O-N 2.76Å; M563-N567 VanDerWaalsContact O-CG 3.28Å; M563-N567 PolarHBondContact O-N 3.03Å; M563-N567 PolarHBondContact O-OD1 3.46Å
564Y83.9Confident79.4Confident71 Ų7188 Ų8828%0.27843%0.433SS..Hα-helixtrans-65-46.9179173.9-103.7000111.3S561 R566 N567 I568S561-Y564 WeakPolarHBondContact O-CB 3.47Å; S561-Y564 PolarHBondContact O-N 3.33Å; Y564-R566 VanDerWaalsContact C-N 3.31Å; Y564-R566 PolarHBondContact O-N 2.97Å; Y564-N567 PolarHBondContact O-N 3.04Å; Y564-I568 HydrophobicContact CD1-CD1 3.85Å; Y564-I568 HydrophobicContact CE1-CD1 3.34Å; Y564-I568 HydrophobicContact CE2-CD1 4.11Å; Y564-I568 HydrophobicContact CG-CD1 4.43Å; Y564-I568 VanDerWaalsContact CZ-CD1 3.49Å; Y564-I568 WeakPolarHBondContact O-CG1 3.44Å; Y564-I568 PolarHBondContact O-N 3.2Å; Y564-I568 VanDerWaalsContact O-N 3.13Å
565V84.6Confident80.2Confident29 Ų2984.2 Ų84.218%0.17642%0.415CS..Hα-helixtrans-63.5-39.3177.2-179.80000111S561 I568 L569 L601S561-V565 PolarHBondContact O-N 3.26Å; V565-I568 PolarHBondContact O-N 3.23Å; V565-L569 HydrophobicContact CG1-CD1 4.25Å; V565-L569 WeakPolarHBondContact O-CG 3.39Å; V565-L569 PolarHBondContact O-N 2.82Å; V565-L569 VanDerWaalsContact O-N 3.07Å; V565-L601 HydrophobicContact CG1-CD2 3.97Å
566R86.9Confident81Confident171 Ų17176.9 Ų76.965%0.64538%0.384SS*.Hα-helixtrans-61.6-47.4175.8-170.9175.4-175.61633111.9T562 M563 Y564 I568 L569 D570T562-R566 WeakPolarHBondContact O-CB 3.41Å; T562-R566 PolarHBondContact O-N 3.27Å; M563-R566 PolarHBondContact O-N 2.76Å; Y564-R566 VanDerWaalsContact C-N 3.31Å; Y564-R566 PolarHBondContact O-N 2.97Å; R566-I568 VanDerWaalsContact C-N 3.29Å; R566-I568 PolarHBondContact O-N 3Å; R566-L569 PolarHBondContact O-N 2.91Å; R566-L569 VanDerWaalsContact O-N 3.14Å; R566-D570 VanDerWaalsContact O-CG 3.25Å; R566-D570 PolarHBondContact O-N 3.41Å
567N89.3Confident81.9Confident79 Ų7974.8 Ų74.842%0.42237%0.373SS..Hα-helixtrans-60.3-37.5177.9-71.7-4.6000112.7M563 Y564 D570 N571M563-N567 VanDerWaalsContact O-CG 3.28Å; M563-N567 PolarHBondContact O-N 3.03Å; M563-N567 PolarHBondContact O-OD1 3.46Å; Y564-N567 PolarHBondContact O-N 3.04Å; N567-D570 PolarHBondContact O-N 3.42Å; N567-N571 PolarHBondContact O-N 3.27Å; N567-N571 VanDerWaalsContact O-N 3.1Å; N567-N571 PolarHBondContact O-ND2 3.48Å
568I90.5Very high83Confident3 Ų372.9 Ų72.92%0.01535%0.348CS..Hα-helixtrans-62.8-49174.6-72.8168.5000110.4L550 Y564 V565 R566 D570 N571 A572 L601 G604 L605L550-I568 HydrophobicContact CD1-CD1 4.25Å; Y564-I568 HydrophobicContact CD1-CD1 3.85Å; Y564-I568 HydrophobicContact CE1-CD1 3.34Å; Y564-I568 HydrophobicContact CE2-CD1 4.11Å; Y564-I568 HydrophobicContact CG-CD1 4.43Å; Y564-I568 VanDerWaalsContact CZ-CD1 3.49Å; Y564-I568 WeakPolarHBondContact O-CG1 3.44Å; Y564-I568 PolarHBondContact O-N 3.2Å; Y564-I568 VanDerWaalsContact O-N 3.13Å; V565-I568 PolarHBondContact O-N 3.23Å; R566-I568 VanDerWaalsContact C-N 3.29Å; R566-I568 PolarHBondContact O-N 3Å; I568-D570 VanDerWaalsContact C-N 3.3Å; I568-D570 PolarHBondContact O-N 2.98Å; I568-N571 WeakPolarHBondContact O-CB 3.32Å; I568-N571 PolarHBondContact O-N 3.32Å; I568-A572 PolarHBondContact O-N 3.1Å; I568-A572 VanDerWaalsContact O-N 3.15Å; I568-L601 HydrophobicContact CG2-CD2 3.96Å; I568-L601 WeakPolarHBondContact CG2-O 3.42Å; I568-G604 VanDerWaalsContact O-CA 3.25Å; I568-G604 WeakPolarHBondContact O-CA 3.45Å; I568-L605 HydrophobicContact CD1-CD2 3.52Å; I568-L605 HydrophobicContact CD1-CG 4.09Å; I568-L605 HydrophobicContact CG1-CD2 4.31Å; I568-L605 HydrophobicContact CG2-CG 4.29Å
569L89.9Confident84.1Confident46 Ų4665.4 Ų65.424%0.24132%0.315CS..Hα-helixtrans-63.4-37.7179.1-68.1172.8000111.9V565 R566 N571 A572 I573 R600 L601V565-L569 HydrophobicContact CG1-CD1 4.25Å; V565-L569 WeakPolarHBondContact O-CG 3.39Å; V565-L569 PolarHBondContact O-N 2.82Å; V565-L569 VanDerWaalsContact O-N 3.07Å; R566-L569 PolarHBondContact O-N 2.91Å; R566-L569 VanDerWaalsContact O-N 3.14Å; L569-N571 VanDerWaalsContact C-N 3.32Å; L569-N571 PolarHBondContact O-N 3.1Å; L569-A572 WeakPolarHBondContact O-CB 3.39Å; L569-A572 PolarHBondContact O-N 3.42Å; L569-A572 VanDerWaalsContact O-N 3.09Å; L569-I573 WeakPolarHBondContact O-CG1 3.45Å; L569-I573 PolarHBondContact O-N 3.03Å; L569-R600 HydrophobicContact CD2-CB 3.85Å; L569-L601 HydrophobicContact CD2-CD2 3.85Å; L569-L601 HydrophobicContact CD2-CG 4.14Å; L569-L601 HydrophobicContact CG-CD2 4.11Å
570D91.4Very high85Confident66 Ų6659.1 Ų59.135%0.35330%0.296SS..Hα-helixtrans-61.9-39.3175.1-67.9-18.4000111.5R566 N567 I568 A572 I573 K574R566-D570 VanDerWaalsContact O-CG 3.25Å; R566-D570 PolarHBondContact O-N 3.41Å; N567-D570 PolarHBondContact O-N 3.42Å; I568-D570 VanDerWaalsContact C-N 3.3Å; I568-D570 PolarHBondContact O-N 2.98Å; D570-A572 VanDerWaalsContact C-N 3.31Å; D570-A572 PolarHBondContact O-N 3.42Å; D570-I573 PolarHBondContact O-N 2.97Å; D570-K574 PolarHBondContact O-N 3.18Å; D570-K574 VanDerWaalsContact O-N 3.11Å
571N92.7Very high85.4Confident14 Ų1461.7 Ų61.78%0.07531%0.314CS..Hα-helixtrans-62.4-38.6172.8-69.2-25.8000112N567 I568 L569 I573 K574 V575 V607N567-N571 PolarHBondContact O-N 3.27Å; N567-N571 VanDerWaalsContact O-N 3.1Å; N567-N571 PolarHBondContact O-ND2 3.48Å; I568-N571 WeakPolarHBondContact O-CB 3.32Å; I568-N571 PolarHBondContact O-N 3.32Å; L569-N571 VanDerWaalsContact C-N 3.32Å; L569-N571 PolarHBondContact O-N 3.1Å; N571-I573 VanDerWaalsContact C-N 3.34Å; N571-K574 WeakPolarHBondContact O-CB 3.39Å; N571-K574 PolarHBondContact O-N 2.89Å; N571-V575 WeakPolarHBondContact O-CG2 3.34Å; N571-V575 PolarHBondContact O-N 2.95Å; N571-V575 VanDerWaalsContact O-N 3.09Å; N571-V607 HydrophobicContact CB-CB 4.02Å; N571-V607 HydrophobicContact CB-CG1 3.95Å; N571-V607 HydrophobicContact CB-CG2 4.33Å
572A91.6Very high85.2Confident1 Ų164.4 Ų64.41%0.00831%0.313CS..Hα-helixtrans-65.1-39.1177.400000112I568 L569 D570 K574 V575 I576 R600 I603I568-A572 PolarHBondContact O-N 3.1Å; I568-A572 VanDerWaalsContact O-N 3.15Å; L569-A572 WeakPolarHBondContact O-CB 3.39Å; L569-A572 PolarHBondContact O-N 3.42Å; L569-A572 VanDerWaalsContact O-N 3.09Å; D570-A572 VanDerWaalsContact C-N 3.31Å; D570-A572 PolarHBondContact O-N 3.42Å; A572-K574 VanDerWaalsContact C-N 3.32Å; A572-K574 PolarHBondContact O-N 3.38Å; A572-V575 PolarHBondContact O-N 2.83Å; A572-I576 WeakPolarHBondContact O-CG1 3.4Å; A572-I576 PolarHBondContact O-N 3.44Å; A572-R600 HydrophobicContact CB-CB 4.16Å; A572-R600 WeakPolarHBondContact CB-O 3.46Å; A572-I603 HydrophobicContact CB-CB 4.09Å; A572-I603 HydrophobicContact CB-CG2 4Å
573I89.9Confident84.5Confident96 Ų9661.6 Ų61.649%0.49230%0.296SS..Hα-helixtrans-61.5-41.7174.3-64.9167.2000110.7L569 D570 N571 V575 I576 S577L569-I573 WeakPolarHBondContact O-CG1 3.45Å; L569-I573 PolarHBondContact O-N 3.03Å; D570-I573 PolarHBondContact O-N 2.97Å; N571-I573 VanDerWaalsContact C-N 3.34Å; I573-V575 PolarHBondContact O-N 2.98Å; I573-I576 PolarHBondContact O-N 3.42Å; I573-S577 WeakPolarHBondContact O-CB 3.39Å; I573-S577 PolarHBondContact O-N 3.35Å; I573-S577 PolarHBondContact O-OG 3.2Å
574K91.9Very high83Confident85 Ų8563.9 Ų63.937%0.3731%0.31SS..Hα-helixtrans-60.4-42.3174.9-70.1177.7176.1-179.80112.4D570 N571 A572 S577 N578 E627 L631D570-K574 PolarHBondContact O-N 3.18Å; D570-K574 VanDerWaalsContact O-N 3.11Å; N571-K574 WeakPolarHBondContact O-CB 3.39Å; N571-K574 PolarHBondContact O-N 2.89Å; A572-K574 VanDerWaalsContact C-N 3.32Å; A572-K574 PolarHBondContact O-N 3.38Å; K574-S577 WeakPolarHBondContact CA-OG 3.4Å; K574-S577 PolarHBondContact O-OG 3.39Å; K574-N578 VanDerWaalsContact O-CB 3.31Å; K574-N578 WeakPolarHBondContact O-CB 3.4Å; K574-N578 PolarHBondContact O-N 3.14Å; K574-E627 IonicContact NZ-OE1 3.58Å; K574-E627 PolarHBondContact NZ-OE1 3.39Å; K574-L631 HydrophobicContact CB-CD1 4.42Å; K574-L631 HydrophobicContact CB-CD2 3.89Å
575V90.2Very high81.7Confident0 Ų066.4 Ų66.40%032%0.324CS..Hα-helixtrans-65.3-47.3177.51720000111.2N571 A572 I573 S577 N578 M579 I603 V607 L631 I634 S635 L638N571-V575 WeakPolarHBondContact O-CG2 3.34Å; N571-V575 PolarHBondContact O-N 2.95Å; N571-V575 VanDerWaalsContact O-N 3.09Å; A572-V575 PolarHBondContact O-N 2.83Å; I573-V575 PolarHBondContact O-N 2.98Å; V575-S577 PolarHBondContact O-N 2.85Å; V575-N578 PolarHBondContact O-N 3.19Å; V575-M579 WeakPolarHBondContact O-CB 3.34Å; V575-M579 PolarHBondContact O-N 2.72Å; V575-I603 HydrophobicContact CB-CG2 3.84Å; V575-I603 HydrophobicContact CG1-CG2 3.87Å; V575-I603 HydrophobicContact CG2-CG2 4Å; V575-V607 HydrophobicContact CG2-CG2 3.44Å; V575-V607 VanDerWaalsContact CG2-CG2 3.44Å; V575-L631 HydrophobicContact CG2-CD2 3.59Å; V575-I634 HydrophobicContact CG1-CB 4.45Å; V575-I634 HydrophobicContact CG1-CG2 3.93Å; V575-I634 HydrophobicContact CG2-CB 4.44Å; V575-I634 HydrophobicContact CG2-CG2 4.28Å; V575-S635 PolarHBondContact O-OG 3.47Å; V575-L638 HydrophobicContact CG1-CD1 3.65Å
576I87.3Confident80.3Confident17 Ų1770.7 Ų70.79%0.08735%0.352CS..Hα-helixtrans-61.9-46.1-179.3-69165.5000110.7A572 I573 N578 M579 E580 L592 R600 P692A572-I576 WeakPolarHBondContact O-CG1 3.4Å; A572-I576 PolarHBondContact O-N 3.44Å; I573-I576 PolarHBondContact O-N 3.42Å; I576-N578 PolarHBondContact O-N 3.49Å; I576-M579 WeakPolarHBondContact O-CB 3.39Å; I576-M579 PolarHBondContact O-N 2.87Å; I576-E580 WeakPolarHBondContact O-CG 3.28Å; I576-E580 PolarHBondContact O-N 3.38Å; I576-L592 HydrophobicContact CG1-CD2 4.45Å; I576-L592 HydrophobicContact CG2-CD2 4.05Å; I576-R600 HydrophobicContact CD1-CG 4.42Å; I576-P692 HydrophobicContact CD1-CG 4.09Å
577S87.1Confident79.2Confident48 Ų4864.8 Ų64.834%0.33633%0.33SS..Hα-helixtrans-63.5-39.6176.752.30000112.9I573 K574 V575 M579 E580 I581I573-S577 WeakPolarHBondContact O-CB 3.39Å; I573-S577 PolarHBondContact O-N 3.35Å; I573-S577 PolarHBondContact O-OG 3.2Å; K574-S577 WeakPolarHBondContact CA-OG 3.4Å; K574-S577 PolarHBondContact O-OG 3.39Å; V575-S577 PolarHBondContact O-N 2.85Å; S577-M579 VanDerWaalsContact C-N 3.32Å; S577-M579 PolarHBondContact O-N 3.02Å; S577-E580 PolarHBondContact O-N 2.97Å; S577-I581 VanDerWaalsContact O-CG1 3.28Å; S577-I581 WeakPolarHBondContact O-CG1 3.42Å; S577-I581 PolarHBondContact O-N 3.22Å
578N86.1Confident77.8Confident23 Ų2365.6 Ų65.612%0.12333%0.334CS..Hα-helixtrans-63.6-38.5174.3-169.746.2000112.1K574 V575 I576 I581 R582 D632 S635K574-N578 VanDerWaalsContact O-CB 3.31Å; K574-N578 WeakPolarHBondContact O-CB 3.4Å; K574-N578 PolarHBondContact O-N 3.14Å; V575-N578 PolarHBondContact O-N 3.19Å; I576-N578 PolarHBondContact O-N 3.49Å; N578-I581 PolarHBondContact O-N 3.48Å; N578-R582 WeakPolarHBondContact O-CG 3.43Å; N578-R582 PolarHBondContact O-N 3.18Å; N578-D632 PolarHBondContact ND2-OD1 2.99Å; N578-S635 PolarHBondContact ND2-OG 2.96Å
579M81.9Confident76.4Confident1 Ų165.8 Ų65.81%0.00534%0.335CS..Hα-helixtrans-65.4-36.3175-177.2-169.3168.600112.5V575 I576 S577 T583 R587 L592 L638 N639 W642V575-M579 WeakPolarHBondContact O-CB 3.34Å; V575-M579 PolarHBondContact O-N 2.72Å; I576-M579 WeakPolarHBondContact O-CB 3.39Å; I576-M579 PolarHBondContact O-N 2.87Å; S577-M579 VanDerWaalsContact C-N 3.32Å; S577-M579 PolarHBondContact O-N 3.02Å; M579-T583 PolarHBondContact O-OG1 2.91Å; M579-R587 VanDerWaalsContact CE-CZ 3.48Å; M579-R587 VanDerWaalsContact CE-NH2 3.29Å; M579-R587 PolarHBondContact O-NH2 3.3Å; M579-L592 HydrophobicContact CE-CD1 4.11Å; M579-L592 HydrophobicContact SD-CD1 4.31Å; M579-L592 HydrophobicContact SD-CD2 4.39Å; M579-L638 HydrophobicContact SD-CB 3.92Å; M579-N639 HydrophobicContact CE-CB 4.37Å; M579-N639 HydrophobicContact CG-CB 4.35Å; M579-W642 HydrophobicContact CE-CB 3.73Å; M579-W642 HydrophobicContact CE-CD2 4.17Å; M579-W642 HydrophobicContact CE-CE3 4.11Å; M579-W642 HydrophobicContact CE-CG 4Å
580E77.9Confident75Confident100 Ų10067.1 Ų67.147%0.46735%0.346SS..Hα-helixtrans-70.1-41.3176.2-72.917317300111.9I576 S577 R582 T583I576-E580 WeakPolarHBondContact O-CG 3.28Å; I576-E580 PolarHBondContact O-N 3.38Å; S577-E580 PolarHBondContact O-N 2.97Å; E580-R582 VanDerWaalsContact C-N 3.28Å; E580-R582 PolarHBondContact O-N 3.27Å; E580-T583 PolarHBondContact O-N 3.46Å; E580-T583 PolarHBondContact O-OG1 3.16Å
581I74.7Confident73.4Confident136 Ų13664.4 Ų64.470%0.69733%0.332SS*.Hα-helixtrans-60.9-38176.8-68.2163.3000111.5S577 N578 T583S577-I581 VanDerWaalsContact O-CG1 3.28Å; S577-I581 WeakPolarHBondContact O-CG1 3.42Å; S577-I581 PolarHBondContact O-N 3.22Å; N578-I581 PolarHBondContact O-N 3.48Å; I581-T583 PolarHBondContact O-N 3.03Å
582R65.4Low71.6Confident133 Ų13364.9 Ų64.950%0.50233%0.334SS..THydrogen-bonded Turntrans-74.6-6.5-178.7-74.4-177.7-179.4-121.9-1.3113.9N578 E580 D632N578-R582 WeakPolarHBondContact O-CG 3.43Å; N578-R582 PolarHBondContact O-N 3.18Å; E580-R582 VanDerWaalsContact C-N 3.28Å; E580-R582 PolarHBondContact O-N 3.27Å; R582-D632 IonicContact CZ-OD1 2.76Å; R582-D632 IonicContact NE-OD1 3.87Å; R582-D632 IonicContact NH2-OD1 3.84Å; R582-D632 PolarHBondContact NH2-OD1 3.25Å; R582-D632 IonicContact NH2-OD2 2.68Å; R582-D632 PolarHBondContact NH2-OD2 2.95Å; R582-D632 VanDerWaalsContact NH2-OD2 3.09Å
583T61.3Low70.2Confident46 Ų4672.9 Ų72.928%0.28237%0.371SS..  trans-103.1116.2177.534.50000113.6M579 E580 I581 R587M579-T583 PolarHBondContact O-OG1 2.91Å; E580-T583 PolarHBondContact O-N 3.46Å; E580-T583 PolarHBondContact O-OG1 3.16Å; I581-T583 PolarHBondContact O-N 3.03Å; T583-R587 VanDerWaalsContact CG2-CZ 3.41Å; T583-R587 PolarHBondContact OG1-NH2 3.15Å
584L49.2Very low69.2Low177 Ų17769.7 Ų69.793%0.92735%0.354SS*.  trans-84-20.6-179.7-77.2148.5000113.4
585E54.9Low68Low124 Ų12472.9 Ų72.958%0.57937%0.371SS*.SBendtrans-106.3145.4179.8-70.4-166.5161.700112.7R587 R650E585-R587 PolarHBondContact O-N 3.4Å; E585-R587 VanDerWaalsContact O-N 3.09Å; E585-R650 IonicContact OE2-CZ 3.16Å; E585-R650 IonicContact OE2-NH1 3.76Å; E585-R650 IonicContact OE2-NH2 2.67Å; E585-R650 PolarHBondContact OE2-NH2 3.39Å; E585-R650 VanDerWaalsContact OE2-NH2 3.14Å
586P56.1Low67.6Low119 Ų11973.7 Ų73.777%0.77338%0.375SS*.  trans-65.3109.917126.7-31.2000109.8
587R64.6Low67.5Low47 Ų4778.8 Ų78.818%0.17739%0.393CS..  trans-64.3138.7-178.4-65.4168.2158.7152.110111.5M579 T583 E585 N639 W642M579-R587 VanDerWaalsContact CE-CZ 3.48Å; M579-R587 VanDerWaalsContact CE-NH2 3.29Å; M579-R587 PolarHBondContact O-NH2 3.3Å; T583-R587 VanDerWaalsContact CG2-CZ 3.41Å; T583-R587 PolarHBondContact OG1-NH2 3.15Å; E585-R587 PolarHBondContact O-N 3.4Å; E585-R587 VanDerWaalsContact O-N 3.09Å; R587-N639 PolarHBondContact NH2-OD1 3.31Å; R587-W642 HydrophobicContact CB-CZ2 3.63Å; R587-W642 VanDerWaalsContact CD-CE2 3.5Å; R587-W642 HydrophobicContact CG-CZ2 4.12Å
588L59Low67.5Low95 Ų9579.9 Ų79.950%0.49739%0.393SS..SBendtrans-76.5-24.3-172.5-69.3168.3000115.2R650L588-R650 HydrophobicContact CD1-CG 3.47Å; L588-R650 VanDerWaalsContact CD1-CG 3.47Å
589I61.7Low67.6Low8 Ų879.2 Ų79.24%0.04139%0.389CS..SBendtrans-107.8129.6-175.5-44.9175.4000108.5L591 W642 L645 W649 L697I589-L591 VanDerWaalsContact C-N 3.3Å; I589-L591 HydrophobicContact CB-CD1 4.47Å; I589-L591 HydrophobicContact CB-CG 4.25Å; I589-L591 HydrophobicContact CG2-CD1 4Å; I589-L591 HydrophobicContact CG2-CD2 3.77Å; I589-L591 HydrophobicContact CG2-CG 3.51Å; I589-L591 PolarHBondContact O-N 3.03Å; I589-L591 VanDerWaalsContact O-N 3.15Å; I589-W642 HydrophobicContact CB-CZ2 4.23Å; I589-W642 WeakPolarHBondContact O-CH2 3.2Å; I589-W642 WeakPolarHBondContact O-CZ2 2.89Å; I589-L645 HydrophobicContact CD1-CB 4.1Å; I589-W649 HydrophobicContact CD1-CB 3.94Å; I589-W649 HydrophobicContact CD1-CD2 3.87Å; I589-W649 HydrophobicContact CD1-CE3 3.83Å; I589-W649 HydrophobicContact CD1-CG 3.93Å; I589-W649 HydrophobicContact CG1-CB 4.43Å; I589-W649 HydrophobicContact CG1-CD2 4.06Å; I589-W649 HydrophobicContact CG1-CE3 4.41Å; I589-W649 HydrophobicContact CG1-CG 4.06Å; I589-L697 HydrophobicContact CG2-CD2 4.18Å
590P59.1Low68Low74 Ų7481.5 Ų81.548%0.48140%0.397SS..  trans-88.345.5-178.634.7-35.2000113.1L592P590-L592 VanDerWaalsContact C-N 3.35Å; P590-L592 PolarHBondContact O-N 2.6Å
591L58.5Low68.6Low8 Ų877 Ų774%0.04238%0.376CS..G310 helixtrans-64.8-38.8-176.1-47.8159.8000111.5I589 Q593 E594 W642 L645 P692 G693 L697I589-L591 VanDerWaalsContact C-N 3.3Å; I589-L591 HydrophobicContact CB-CD1 4.47Å; I589-L591 HydrophobicContact CB-CG 4.25Å; I589-L591 HydrophobicContact CG2-CD1 4Å; I589-L591 HydrophobicContact CG2-CD2 3.77Å; I589-L591 HydrophobicContact CG2-CG 3.51Å; I589-L591 PolarHBondContact O-N 3.03Å; I589-L591 VanDerWaalsContact O-N 3.15Å; L591-Q593 VanDerWaalsContact C-N 3.25Å; L591-Q593 PolarHBondContact O-N 2.92Å; L591-Q593 VanDerWaalsContact O-N 3.1Å; L591-E594 PolarHBondContact O-N 2.82Å; L591-W642 HydrophobicContact CB-CE3 4.32Å; L591-W642 HydrophobicContact CB-CH2 3.92Å; L591-W642 HydrophobicContact CB-CZ3 3.46Å; L591-W642 VanDerWaalsContact CB-CZ3 3.46Å; L591-W642 HydrophobicContact CD1-CE3 3.99Å; L591-W642 HydrophobicContact CD1-CH2 4.34Å; L591-W642 HydrophobicContact CD1-CZ3 3.87Å; L591-W642 HydrophobicContact CG-CH2 4.18Å; L591-W642 HydrophobicContact CG-CZ3 3.94Å; L591-L645 HydrophobicContact CD1-CD1 3.61Å; L591-P692 CarbonylContact C-O 3.59Å; L591-P692 WeakPolarHBondContact CB-O 2.88Å; L591-P692 CarbonylContact O-C 3.59Å; L591-G693 WeakPolarHBondContact CD2-O 3.42Å; L591-G693 WeakPolarHBondContact O-CA 3.2Å; L591-L697 HydrophobicContact CD2-CB 3.59Å; L591-L697 HydrophobicContact CD2-CD2 3.6Å; L591-L697 HydrophobicContact CD2-CG 4.17Å
592L55.1Low69.5Low25 Ų2570.8 Ų70.813%0.13135%0.345CS..G310 helixtrans-69.2-10.4-173-76.9156.4000116.2I576 M579 P590 E594 W642 P692I576-L592 HydrophobicContact CG1-CD2 4.45Å; I576-L592 HydrophobicContact CG2-CD2 4.05Å; M579-L592 HydrophobicContact CE-CD1 4.11Å; M579-L592 HydrophobicContact SD-CD1 4.31Å; M579-L592 HydrophobicContact SD-CD2 4.39Å; P590-L592 VanDerWaalsContact C-N 3.35Å; P590-L592 PolarHBondContact O-N 2.6Å; L592-E594 VanDerWaalsContact C-N 3.29Å; L592-E594 PolarHBondContact O-N 3Å; L592-W642 HydrophobicContact CB-CZ3 4.34Å; L592-W642 HydrophobicContact CD1-CE3 4.12Å; L592-W642 HydrophobicContact CD1-CH2 4.01Å; L592-W642 HydrophobicContact CD1-CZ3 3.64Å; L592-W642 HydrophobicContact CG-CE3 4.3Å; L592-W642 HydrophobicContact CG-CH2 4.21Å; L592-W642 HydrophobicContact CG-CZ3 3.6Å; L592-P692 HydrophobicContact CD2-CG 4.41Å
593Q61.6Low70.8Confident169 Ų16964.5 Ų64.579%0.7932%0.321SS*.G310 helixtrans-77.9-15.8-178.4-67.7-177.4-5.100112.9L591L591-Q593 VanDerWaalsContact C-N 3.25Å; L591-Q593 PolarHBondContact O-N 2.92Å; L591-Q593 VanDerWaalsContact O-N 3.1Å
594E69.2Low72.3Confident28 Ų2862.3 Ų62.313%0.13131%0.307CS..SBendtrans-81.8138.5-178.2-166.8176169.100112.9L591 L592 D596 P692 G693 S696 T725L591-E594 PolarHBondContact O-N 2.82Å; L592-E594 VanDerWaalsContact C-N 3.29Å; L592-E594 PolarHBondContact O-N 3Å; E594-D596 PolarHBondContact O-N 3.37Å; E594-P692 WeakPolarHBondContact O-CB 3.46Å; E594-G693 WeakPolarHBondContact OE2-CA 3.19Å; E594-S696 PolarHBondContact OE1-OG 3.08Å; E594-S696 WeakPolarHBondContact OE2-CB 3.18Å; E594-S696 PolarHBondContact OE2-OG 2.96Å; E594-T725 VanDerWaalsContact CD-CB 3.47Å; E594-T725 HydrophobicContact CG-CG2 4.45Å; E594-T725 WeakPolarHBondContact CG-OG1 3.21Å; E594-T725 WeakPolarHBondContact OE1-CB 3.44Å; E594-T725 PolarHBondContact OE1-OG1 3.04Å
595E67.9Low74.4Confident153 Ų15353.9 Ų53.972%0.71526%0.263SS*.  trans-8066.7171.1-59.4-143.8119.400112.1R597 R600E595-R597 PolarHBondContact O-N 3.32Å; E595-R600 IonicContact OE1-CZ 2.7Å; E595-R600 IonicContact OE1-NH1 2.59Å; E595-R600 PolarHBondContact OE1-NH1 3.26Å; E595-R600 IonicContact OE1-NH2 2.72Å
596D81.9Confident76.2Confident16 Ų1648 Ų489%0.08624%0.236CC..  trans-74.293.6171-170.4-30.5000110.4E594 H598 Q599 R600 P692 H695E594-D596 PolarHBondContact O-N 3.37Å; D596-H598 VanDerWaalsContact C-N 3.32Å; D596-H598 PolarHBondContact O-N 2.84Å; D596-H598 PolarHBondContact OD1-N 2.92Å; D596-Q599 HydrophobicContact CB-CB 4.2Å; D596-Q599 HydrophobicContact CB-CG 4.4Å; D596-Q599 PolarHBondContact OD1-N 3.14Å; D596-Q599 VanDerWaalsContact OD2-CG 3.23Å; D596-Q599 WeakPolarHBondContact OD2-CG 2.84Å; D596-R600 WeakPolarHBondContact O-CB 3.47Å; D596-R600 VanDerWaalsContact O-CG 3.26Å; D596-R600 WeakPolarHBondContact O-CG 3.45Å; D596-R600 PolarHBondContact O-N 2.91Å; D596-P692 HydrophobicContact CB-CB 4.1Å; D596-H695 IonicContact OD2-CD2 2.89Å
597R83.4Confident78Confident125 Ų12542.4 Ų42.447%0.47220%0.2SC..Hα-helixtrans-62.8-35.8-179.1-171.9175.2178.1-159-11.2112.8E554 E595 L601E554-R597 IonicContact OE1-CZ 3.09Å; E554-R597 IonicContact OE1-NE 2.95Å; E554-R597 IonicContact OE1-NH1 3.56Å; E554-R597 PolarHBondContact OE1-NH1 3.12Å; E554-R597 IonicContact OE1-NH2 2.72Å; E595-R597 PolarHBondContact O-N 3.32Å; R597-L601 HydrophobicContact CG-CD1 4.31Å; R597-L601 WeakPolarHBondContact O-CB 3.32Å; R597-L601 VanDerWaalsContact O-CG 3.24Å; R597-L601 WeakPolarHBondContact O-CG 3.42Å; R597-L601 PolarHBondContact O-N 2.93Å
598H87Confident79.3Confident71 Ų7140.8 Ų40.833%0.32920%0.196SC..Hα-helixtrans-70.9-40.1-177-70.3174.3000111.3W547 E554 D596 L602W547-H598 PolarHBondContact NE1-O 2.92Å; E554-H598 IonicContact OE2-CD2 3.41Å; E554-H598 IonicContact OE2-NE2 3.78Å; E554-H598 PolarHBondContact OE2-NE2 2.69Å; D596-H598 VanDerWaalsContact C-N 3.32Å; D596-H598 PolarHBondContact O-N 2.84Å; D596-H598 PolarHBondContact OD1-N 2.92Å; H598-L602 PolarHBondContact O-N 3.48Å
599Q89.8Confident80.9Confident8 Ų837.7 Ų37.74%0.03718%0.179CC..Hα-helixtrans-70.4-42.5173-65.3-57.4-40.400111.9D596 L601 L602 I603 H695D596-Q599 HydrophobicContact CB-CB 4.2Å; D596-Q599 HydrophobicContact CB-CG 4.4Å; D596-Q599 PolarHBondContact OD1-N 3.14Å; D596-Q599 VanDerWaalsContact OD2-CG 3.23Å; D596-Q599 WeakPolarHBondContact OD2-CG 2.84Å; Q599-L601 VanDerWaalsContact C-N 3.27Å; Q599-L601 PolarHBondContact O-N 2.94Å; Q599-L602 PolarHBondContact O-N 3.08Å; Q599-I603 VanDerWaalsContact O-CG1 3.27Å; Q599-I603 WeakPolarHBondContact O-CG1 3.48Å; Q599-I603 PolarHBondContact O-N 3.14Å; Q599-H695 PolarHBondContact NE2-NE2 2.84Å
600R90.1Very high82.3Confident50 Ų5037.4 Ų37.419%0.18918%0.177CC..Hα-helixtrans-57.7-39.4175-74177.5-178.5-175.23.4112.1L569 A572 I576 E595 D596 G604L569-R600 HydrophobicContact CD2-CB 3.85Å; A572-R600 HydrophobicContact CB-CB 4.16Å; A572-R600 WeakPolarHBondContact CB-O 3.46Å; I576-R600 HydrophobicContact CD1-CG 4.42Å; E595-R600 IonicContact OE1-CZ 2.7Å; E595-R600 IonicContact OE1-NH1 2.59Å; E595-R600 PolarHBondContact OE1-NH1 3.26Å; E595-R600 IonicContact OE1-NH2 2.72Å; D596-R600 WeakPolarHBondContact O-CB 3.47Å; D596-R600 VanDerWaalsContact O-CG 3.26Å; D596-R600 WeakPolarHBondContact O-CG 3.45Å; D596-R600 PolarHBondContact O-N 2.91Å; R600-G604 PolarHBondContact O-N 3.42Å
601L90.5Very high83.8Confident5 Ų537 Ų373%0.02617%0.166CC..Hα-helixtrans-64.1-43.3174-72.9171.6000112.3L550 V565 I568 L569 R597 Q599 G604 L605L550-L601 HydrophobicContact CD1-CD2 4.43Å; V565-L601 HydrophobicContact CG1-CD2 3.97Å; I568-L601 HydrophobicContact CG2-CD2 3.96Å; I568-L601 WeakPolarHBondContact CG2-O 3.42Å; L569-L601 HydrophobicContact CD2-CD2 3.85Å; L569-L601 HydrophobicContact CD2-CG 4.14Å; L569-L601 HydrophobicContact CG-CD2 4.11Å; R597-L601 HydrophobicContact CG-CD1 4.31Å; R597-L601 WeakPolarHBondContact O-CB 3.32Å; R597-L601 VanDerWaalsContact O-CG 3.24Å; R597-L601 WeakPolarHBondContact O-CG 3.42Å; R597-L601 PolarHBondContact O-N 2.93Å; Q599-L601 VanDerWaalsContact C-N 3.27Å; Q599-L601 PolarHBondContact O-N 2.94Å; L601-G604 PolarHBondContact O-N 2.85Å; L601-L605 WeakPolarHBondContact O-CB 3.42Å; L601-L605 VanDerWaalsContact O-CG 3.29Å; L601-L605 WeakPolarHBondContact O-CG 3.49Å; L601-L605 PolarHBondContact O-N 3.47Å
602L92.4Very high85.3Confident6 Ų639.1 Ų39.13%0.03118%0.177CC..Hα-helixtrans-63.5-45.7178.4-176.756.4000111.9V543 W547 H598 Q599 G604 L605 M606 P689V543-L602 HydrophobicContact CG1-CD1 3.54Å; W547-L602 HydrophobicContact CB-CD1 4.26Å; W547-L602 HydrophobicContact CD2-CD1 4.4Å; W547-L602 HydrophobicContact CG-CD1 4.01Å; H598-L602 PolarHBondContact O-N 3.48Å; Q599-L602 PolarHBondContact O-N 3.08Å; L602-G604 PolarHBondContact O-N 3.47Å; L602-L605 PolarHBondContact O-N 3.43Å; L602-M606 PolarHBondContact O-N 3.27Å; L602-P689 HydrophobicContact CD2-CB 4.17Å; L602-P689 HydrophobicContact CG-CB 4.1Å
603I93.4Very high86.9Confident0 Ų038.9 Ų38.90%018%0.176CC..Hα-helixtrans-55.9-52.6175.5-64.9166000109.9A572 V575 Q599 L605 M606 V607 I634 L638 P689A572-I603 HydrophobicContact CB-CB 4.09Å; A572-I603 HydrophobicContact CB-CG2 4Å; V575-I603 HydrophobicContact CB-CG2 3.84Å; V575-I603 HydrophobicContact CG1-CG2 3.87Å; V575-I603 HydrophobicContact CG2-CG2 4Å; Q599-I603 VanDerWaalsContact O-CG1 3.27Å; Q599-I603 WeakPolarHBondContact O-CG1 3.48Å; Q599-I603 PolarHBondContact O-N 3.14Å; I603-L605 VanDerWaalsContact C-N 3.34Å; I603-L605 PolarHBondContact O-N 3.4Å; I603-M606 PolarHBondContact O-N 3.09Å; I603-V607 WeakPolarHBondContact O-CG2 3.48Å; I603-V607 PolarHBondContact O-N 3.46Å; I603-V607 VanDerWaalsContact O-N 3.09Å; I603-I634 HydrophobicContact CG2-CG2 4.19Å; I603-L638 HydrophobicContact CD1-CD1 3.83Å; I603-L638 HydrophobicContact CD1-CD2 4.43Å; I603-L638 HydrophobicContact CG1-CD1 4.09Å; I603-L638 HydrophobicContact CG2-CD1 4.36Å; I603-P689 HydrophobicContact CB-CB 4.47Å; I603-P689 HydrophobicContact CD1-CB 4.39Å; I603-P689 HydrophobicContact CG1-CB 3.41Å; I603-P689 VanDerWaalsContact CG1-CB 3.41Å; I603-P689 HydrophobicContact CG1-CG 3.88Å
604G92.8Very high88.1Confident0 Ų031 Ų310%014%0.139CC..Hα-helixtrans-65.1-34.7-178.100000114.1I568 R600 L601 L602 S608I568-G604 VanDerWaalsContact O-CA 3.25Å; I568-G604 WeakPolarHBondContact O-CA 3.45Å; R600-G604 PolarHBondContact O-N 3.42Å; L601-G604 PolarHBondContact O-N 2.85Å; L602-G604 PolarHBondContact O-N 3.47Å; G604-S608 PolarHBondContact O-N 2.85Å; G604-S608 VanDerWaalsContact O-N 3.09Å
605L92.9Very high89Confident0 Ų032.5 Ų32.50%015%0.149CC..Hα-helixtrans-66.5-44.6175.1-82.8175.2000111V543 E546 W547 L550 I568 L601 L602 I603 V607 S608 E609V543-L605 HydrophobicContact CG1-CB 4.46Å; E546-L605 HydrophobicContact CB-CD1 4.43Å; E546-L605 HydrophobicContact CB-CD2 4.39Å; W547-L605 HydrophobicContact CB-CD1 3.91Å; L550-L605 HydrophobicContact CD1-CD1 3.75Å; L550-L605 HydrophobicContact CD1-CD2 4.21Å; L550-L605 HydrophobicContact CD1-CG 4.18Å; I568-L605 HydrophobicContact CD1-CD2 3.52Å; I568-L605 HydrophobicContact CD1-CG 4.09Å; I568-L605 HydrophobicContact CG1-CD2 4.31Å; I568-L605 HydrophobicContact CG2-CG 4.29Å; L601-L605 WeakPolarHBondContact O-CB 3.42Å; L601-L605 VanDerWaalsContact O-CG 3.29Å; L601-L605 WeakPolarHBondContact O-CG 3.49Å; L601-L605 PolarHBondContact O-N 3.47Å; L602-L605 PolarHBondContact O-N 3.43Å; I603-L605 VanDerWaalsContact C-N 3.34Å; I603-L605 PolarHBondContact O-N 3.4Å; L605-V607 VanDerWaalsContact C-N 3.32Å; L605-V607 PolarHBondContact O-N 3.39Å; L605-S608 PolarHBondContact O-N 2.98Å; L605-S608 VanDerWaalsContact O-N 3.15Å; L605-E609 WeakPolarHBondContact O-CG 3.47Å; L605-E609 PolarHBondContact O-N 3.37Å
606M93.8Very high89.8Confident0 Ų031.9 Ų31.90%014%0.141CC..Hα-helixtrans-60.3-42.8176-78.9-169.660.200111.8V543 L602 I603 S608 E609 L610 I634 F688 P689V543-M606 HydrophobicContact CB-CG 4.45Å; V543-M606 HydrophobicContact CG1-CG 3.63Å; V543-M606 HydrophobicContact CG2-CG 4.07Å; L602-M606 PolarHBondContact O-N 3.27Å; I603-M606 PolarHBondContact O-N 3.09Å; M606-S608 VanDerWaalsContact C-N 3.3Å; M606-S608 PolarHBondContact O-N 2.91Å; M606-E609 PolarHBondContact O-N 3.16Å; M606-L610 WeakPolarHBondContact O-CB 3.48Å; M606-L610 PolarHBondContact O-N 3.12Å; M606-I634 HydrophobicContact CB-CD1 3.86Å; M606-F688 HydrophobicContact CE-CD1 3.95Å; M606-F688 HydrophobicContact CE-CE1 4.25Å; M606-F688 HydrophobicContact SD-CD1 4.49Å; M606-P689 WeakPolarHBondContact SD-CD 3.46Å; M606-P689 HydrophobicContact SD-CG 4.11Å
607V93.9Very high89.7Confident3 Ų335.1 Ų35.12%0.01816%0.155CC..Hα-helixtrans-57.6-46.8174.5175.20000110.4N571 V575 I603 L605 R611 T630 L631 I634N571-V607 HydrophobicContact CB-CB 4.02Å; N571-V607 HydrophobicContact CB-CG1 3.95Å; N571-V607 HydrophobicContact CB-CG2 4.33Å; V575-V607 HydrophobicContact CG2-CG2 3.44Å; V575-V607 VanDerWaalsContact CG2-CG2 3.44Å; I603-V607 WeakPolarHBondContact O-CG2 3.48Å; I603-V607 PolarHBondContact O-N 3.46Å; I603-V607 VanDerWaalsContact O-N 3.09Å; L605-V607 VanDerWaalsContact C-N 3.32Å; L605-V607 PolarHBondContact O-N 3.39Å; V607-R611 WeakPolarHBondContact O-CB 3.41Å; V607-R611 PolarHBondContact O-N 3.11Å; V607-T630 HydrophobicContact CB-CG2 4.41Å; V607-T630 HydrophobicContact CG1-CG2 4.04Å; V607-T630 WeakPolarHBondContact O-CG2 3.17Å; V607-L631 HydrophobicContact CG1-CD2 4.29Å; V607-L631 HydrophobicContact CG2-CD2 4.39Å; V607-I634 VanDerWaalsContact CA-CD1 3.43Å; V607-I634 HydrophobicContact CB-CD1 4Å; V607-I634 HydrophobicContact CG2-CD1 3.41Å; V607-I634 VanDerWaalsContact CG2-CD1 3.41Å; V607-I634 VanDerWaalsContact N-CD1 3.28Å
608S92.3Very high89.4Confident13 Ų1329.9 Ų29.99%0.09114%0.136CC..Hα-helixtrans-65.3-49.4-177.8-164.80000112.1G604 L605 M606 R611 D612G604-S608 PolarHBondContact O-N 2.85Å; G604-S608 VanDerWaalsContact O-N 3.09Å; L605-S608 PolarHBondContact O-N 2.98Å; L605-S608 VanDerWaalsContact O-N 3.15Å; M606-S608 VanDerWaalsContact C-N 3.3Å; M606-S608 PolarHBondContact O-N 2.91Å; S608-R611 PolarHBondContact OG-NH2 2.91Å; S608-D612 WeakPolarHBondContact O-CB 3.43Å; S608-D612 PolarHBondContact O-N 3.21Å
609E92.1Very high88.5Confident30 Ų3035 Ų3514%0.1416%0.16CC..Hα-helixtrans-69.7-39.7-176.5-68.2-57.1135.200112.3Y538 V542 V543 L605 M606 D612 H613Y538-E609 HydrophobicContact CE2-CB 4.17Å; V542-E609 HydrophobicContact CG1-CG 4.47Å; V542-E609 WeakPolarHBondContact CG1-OE2 3.39Å; V543-E609 HydrophobicContact CG2-CB 3.84Å; V543-E609 HydrophobicContact CG2-CG 3.87Å; L605-E609 WeakPolarHBondContact O-CG 3.47Å; L605-E609 PolarHBondContact O-N 3.37Å; M606-E609 PolarHBondContact O-N 3.16Å; E609-D612 PolarHBondContact O-N 2.93Å; E609-H613 WeakPolarHBondContact O-CB 3.25Å; E609-H613 PolarHBondContact O-N 3.24Å
610L91Very high87.5Confident1 Ų138.5 Ų38.51%0.00520%0.199CC..Hα-helixtrans-67.1-44.9176.8177.856.6000110.9L483 Y538 M606 D612 H613 L614 T630 Y633L483-L610 HydrophobicContact CD2-CD1 3.63Å; Y538-L610 HydrophobicContact CD1-CD1 4.01Å; Y538-L610 HydrophobicContact CD2-CD1 4.1Å; Y538-L610 HydrophobicContact CE1-CB 4.27Å; Y538-L610 HydrophobicContact CE1-CD1 4.27Å; Y538-L610 HydrophobicContact CE2-CB 4.15Å; Y538-L610 HydrophobicContact CE2-CD1 4.37Å; Y538-L610 HydrophobicContact CG-CD1 3.9Å; M606-L610 WeakPolarHBondContact O-CB 3.48Å; M606-L610 PolarHBondContact O-N 3.12Å; L610-D612 VanDerWaalsContact C-N 3.31Å; L610-D612 PolarHBondContact O-N 3.18Å; L610-H613 WeakPolarHBondContact O-CB 3.41Å; L610-H613 PolarHBondContact O-N 2.87Å; L610-L614 HydrophobicContact CD1-CD1 4.18Å; L610-L614 HydrophobicContact CD1-CD2 4.47Å; L610-L614 HydrophobicContact CD1-CG 4.02Å; L610-L614 HydrophobicContact CG-CD1 4.19Å; L610-L614 HydrophobicContact CG-CG 4.44Å; L610-L614 WeakPolarHBondContact O-CG 3.43Å; L610-L614 PolarHBondContact O-N 3.39Å; L610-T630 HydrophobicContact CB-CG2 4.03Å; L610-T630 HydrophobicContact CD2-CG2 4.03Å; L610-T630 HydrophobicContact CG-CG2 4.02Å; L610-Y633 HydrophobicContact CD2-CD1 3.66Å; L610-Y633 HydrophobicContact CD2-CE1 4.27Å; L610-Y633 HydrophobicContact CD2-CG 4.12Å
611R91.3Very high86.9Confident65 Ų6538.1 Ų38.125%0.24520%0.202CC..Hα-helixtrans-56.8-47.3174.3178.6-172.165-148.5-7.9110.9V607 S608 H613 L614 V615 T630V607-R611 WeakPolarHBondContact O-CB 3.41Å; V607-R611 PolarHBondContact O-N 3.11Å; S608-R611 PolarHBondContact OG-NH2 2.91Å; R611-H613 VanDerWaalsContact C-N 3.32Å; R611-H613 PolarHBondContact O-N 2.87Å; R611-L614 PolarHBondContact O-N 2.86Å; R611-V615 HydrophobicContact CG-CG2 4.3Å; R611-V615 WeakPolarHBondContact O-CB 3.25Å; R611-V615 VanDerWaalsContact O-CG2 3.26Å; R611-V615 WeakPolarHBondContact O-CG2 3.25Å; R611-V615 PolarHBondContact O-N 3.33Å; R611-T630 HydrophobicContact CB-CG2 4.27Å
612D89.6Confident86.5Confident53 Ų5344.7 Ų44.728%0.28323%0.233SC..Hα-helixtrans-66.1-37.2-178.4-71.31.7000111.3S608 E609 L610 R616S608-D612 WeakPolarHBondContact O-CB 3.43Å; S608-D612 PolarHBondContact O-N 3.21Å; E609-D612 PolarHBondContact O-N 2.93Å; L610-D612 VanDerWaalsContact C-N 3.31Å; L610-D612 PolarHBondContact O-N 3.18Å; D612-R616 WeakPolarHBondContact O-CD 3.38Å; D612-R616 WeakPolarHBondContact O-CG 3.25Å; D612-R616 PolarHBondContact O-N 3.27Å; D612-R616 VanDerWaalsContact O-N 3.13Å; D612-R616 PolarHBondContact O-NE 2.88Å
613H88.3Confident86.2Confident21 Ų2152.1 Ų52.110%0.09727%0.265CS..Hα-helixtrans-61.8-51172.4179.476.6000111.6L536 Y538 E609 L610 R611 V615 R616 H617L536-H613 PolarHBondContact O-CE1 3.45Å; L536-H613 PolarHBondContact O-NE2 2.76Å; Y538-H613 HydrophobicContact CD2-CB 3.83Å; Y538-H613 AromaticContact CD2-CG 3.84Å; Y538-H613 HydrophobicContact CE2-CB 4.32Å; E609-H613 WeakPolarHBondContact O-CB 3.25Å; E609-H613 PolarHBondContact O-N 3.24Å; L610-H613 WeakPolarHBondContact O-CB 3.41Å; L610-H613 PolarHBondContact O-N 2.87Å; R611-H613 VanDerWaalsContact C-N 3.32Å; R611-H613 PolarHBondContact O-N 2.87Å; H613-V615 PolarHBondContact O-N 3.36Å; H613-R616 PolarHBondContact O-N 3.49Å; H613-H617 AromaticContact CE1-CD2 3.36Å; H613-H617 PolarHBondContact CE1-CD2 3.49Å; H613-H617 AromaticContact CE1-NE2 3.55Å; H613-H617 AromaticContact ND1-CD2 3.52Å; H613-H617 AromaticContact ND1-NE2 3.66Å; H613-H617 AromaticContact NE2-CD2 3.82Å; H613-H617 PolarHBondContact O-CD2 3Å; H613-H617 PolarHBondContact O-N 3.42Å
614L86.6Confident85.9Confident3 Ų360.3 Ų60.32%0.01630%0.3CS..Hα-helixtrans-62.5-41.5179.3-67.2178.8000112.3L476 L482 L610 R611 R616 H617 L618 I626L476-L614 HydrophobicContact CD1-CD1 4.46Å; L482-L614 HydrophobicContact CB-CD2 4.24Å; L482-L614 HydrophobicContact CD1-CD2 3.93Å; L610-L614 HydrophobicContact CD1-CD1 4.18Å; L610-L614 HydrophobicContact CD1-CD2 4.47Å; L610-L614 HydrophobicContact CD1-CG 4.02Å; L610-L614 HydrophobicContact CG-CD1 4.19Å; L610-L614 HydrophobicContact CG-CG 4.44Å; L610-L614 WeakPolarHBondContact O-CG 3.43Å; L610-L614 PolarHBondContact O-N 3.39Å; R611-L614 PolarHBondContact O-N 2.86Å; L614-R616 VanDerWaalsContact C-N 3.31Å; L614-R616 PolarHBondContact O-N 3.3Å; L614-H617 PolarHBondContact O-N 2.88Å; L614-L618 HydrophobicContact CB-CD1 4.36Å; L614-L618 HydrophobicContact CD2-CD1 4.17Å; L614-L618 VanDerWaalsContact O-CB 3.27Å; L614-L618 WeakPolarHBondContact O-CB 3.29Å; L614-L618 PolarHBondContact O-N 2.86Å; L614-I626 HydrophobicContact CB-CG2 3.57Å; L614-I626 HydrophobicContact CD1-CG2 4.02Å; L614-I626 HydrophobicContact CG-CG2 4.47Å
615V87.8Confident85.6Confident59 Ų5965 Ų6536%0.35832%0.32SS..Hα-helixtrans-64.4-34.9177.5169.50000112.1R611 H613 I626R611-V615 HydrophobicContact CG-CG2 4.3Å; R611-V615 WeakPolarHBondContact O-CB 3.25Å; R611-V615 VanDerWaalsContact O-CG2 3.26Å; R611-V615 WeakPolarHBondContact O-CG2 3.25Å; R611-V615 PolarHBondContact O-N 3.33Å; H613-V615 PolarHBondContact O-N 3.36Å; V615-I626 HydrophobicContact CG2-CD1 4.03Å; V615-I626 HydrophobicContact CG2-CG2 4.12Å
616R84.8Confident85.3Confident141 Ų14165.1 Ų65.153%0.53232%0.321SS..Hα-helixtrans-66.9-37.6177.8-73.5168.5-154.4155.87.4112D612 H613 L614 Q619D612-R616 WeakPolarHBondContact O-CD 3.38Å; D612-R616 WeakPolarHBondContact O-CG 3.25Å; D612-R616 PolarHBondContact O-N 3.27Å; D612-R616 VanDerWaalsContact O-N 3.13Å; D612-R616 PolarHBondContact O-NE 2.88Å; H613-R616 PolarHBondContact O-N 3.49Å; L614-R616 VanDerWaalsContact C-N 3.31Å; L614-R616 PolarHBondContact O-N 3.3Å; R616-Q619 PolarHBondContact O-NE2 2.82Å
617H79.6Confident85.1Confident83 Ų8368.2 Ų68.238%0.38434%0.336SS..Hα-helixtrans-99.6-28.5-171.6-65.1-66.2000114.3L482 L536 H613 L614 Q619L482-H617 HydrophobicContact CD1-CB 3.87Å; L482-H617 HydrophobicContact CD2-CB 3.54Å; L482-H617 HydrophobicContact CG-CB 4.38Å; L536-H617 WeakPolarHBondContact CD2-CE1 3.41Å; H613-H617 AromaticContact CE1-CD2 3.36Å; H613-H617 PolarHBondContact CE1-CD2 3.49Å; H613-H617 AromaticContact CE1-NE2 3.55Å; H613-H617 AromaticContact ND1-CD2 3.52Å; H613-H617 AromaticContact ND1-NE2 3.66Å; H613-H617 AromaticContact NE2-CD2 3.82Å; H613-H617 PolarHBondContact O-CD2 3Å; H613-H617 PolarHBondContact O-N 3.42Å; L614-H617 PolarHBondContact O-N 2.88Å; H617-Q619 PolarHBondContact O-N 3.12Å
618L77.3Confident84.9Confident16 Ų1672.1 Ų72.18%0.08435%0.354CS..  trans-96.867.6178.3-60.9176.7000111.7L476 V477 D478 L482 L614 G620 V621 I626L476-L618 HydrophobicContact CD1-CD1 4.01Å; V477-L618 WeakPolarHBondContact O-CD2 3.22Å; D478-L618 HydrophobicContact CB-CD2 4.35Å; L482-L618 HydrophobicContact CD1-CD1 4.15Å; L482-L618 HydrophobicContact CD1-CD2 3.67Å; L482-L618 HydrophobicContact CD1-CG 3.65Å; L614-L618 HydrophobicContact CB-CD1 4.36Å; L614-L618 HydrophobicContact CD2-CD1 4.17Å; L614-L618 VanDerWaalsContact O-CB 3.27Å; L614-L618 WeakPolarHBondContact O-CB 3.29Å; L614-L618 PolarHBondContact O-N 2.86Å; L618-G620 PolarHBondContact O-N 2.92Å; L618-V621 HydrophobicContact CB-CB 4.37Å; L618-V621 HydrophobicContact CB-CG2 4.08Å; L618-I626 HydrophobicContact CB-CD1 4.3Å
619Q67.8Low84.8Confident177 Ų17771.7 Ų71.783%0.82735%0.35SS*.THydrogen-bonded Turntrans-74.590.2178.3-61.3-175.711.400110.5R616 H617R616-Q619 PolarHBondContact O-NE2 2.82Å; H617-Q619 PolarHBondContact O-N 3.12Å
620G69.4Low84.7Confident82 Ų8270.3 Ų70.385%0.84534%0.344SS*.THydrogen-bonded Turntrans144.8-16.2177.700000114.6L618L618-G620 PolarHBondContact O-N 2.92Å
621V76.8Confident84.8Confident42 Ų4271 Ų7126%0.25535%0.347SS..SBendtrans-78.8140.3173-179.70000109.9L476 L618 K623 K625 I626L476-V621 HydrophobicContact CD2-CG1 3.57Å; L476-V621 HydrophobicContact CD2-CG2 4.44Å; L618-V621 HydrophobicContact CB-CB 4.37Å; L618-V621 HydrophobicContact CB-CG2 4.08Å; V621-K623 PolarHBondContact O-N 2.91Å; V621-K625 HydrophobicContact CG1-CB 4.08Å; V621-K625 HydrophobicContact CG1-CD 4.13Å; V621-K625 HydrophobicContact CG1-CG 4.34Å; V621-I626 HydrophobicContact CB-CD1 4.15Å; V621-I626 HydrophobicContact CB-CG1 4.14Å; V621-I626 HydrophobicContact CG1-CD1 4.34Å; V621-I626 HydrophobicContact CG1-CG1 3.8Å
622E82.9Confident84.7Confident144 Ų14468.2 Ų68.267%0.67334%0.338SS*.  trans-56.6128.8174.3-67.5-172.1-178.500111.4K624 K625 I626E622-K624 PolarHBondContact O-N 3.3Å; E622-K624 VanDerWaalsContact O-N 3.11Å; E622-K625 HydrophobicContact CB-CB 4.27Å; E622-K625 WeakPolarHBondContact O-CA 3.37Å; E622-K625 VanDerWaalsContact O-CB 3.32Å; E622-K625 WeakPolarHBondContact O-CB 3.44Å; E622-K625 PolarHBondContact O-N 3.01Å; E622-I626 PolarHBondContact O-N 3.38Å; E622-I626 VanDerWaalsContact O-N 3.15Å
623K85.8Confident84.8Confident162 Ų16265.9 Ų65.970%0.70433%0.325SS*.Hα-helixtrans-55.4-33.9-179.7-68.1-177.8178.1-1800113.2V621 K625 I626 E627V621-K623 PolarHBondContact O-N 2.91Å; K623-K625 VanDerWaalsContact C-N 3.33Å; K623-I626 PolarHBondContact O-N 3.21Å; K623-E627 PolarHBondContact O-N 3.45Å
624K87Confident85Confident171 Ų17164.9 Ų64.974%0.74332%0.32SS*.Hα-helixtrans-62.9-40.1175.5-71.3-173.8177.2-1780112.1E622 E627 Q628E622-K624 PolarHBondContact O-N 3.3Å; E622-K624 VanDerWaalsContact O-N 3.11Å; K624-E627 PolarHBondContact O-N 3.11Å; K624-Q628 PolarHBondContact O-N 2.72Å
625K86.8Confident85.2Confident98 Ų9864.8 Ų64.843%0.42632%0.32SS..Hα-helixtrans-66.5-42.8177.4-168.1173.4-178.6-175.20111E475 L476 V621 E622 K623 E627 Q628 T629E475-K625 WeakPolarHBondContact O-CE 3.48Å; E475-K625 PolarHBondContact O-NZ 3.41Å; L476-K625 HydrophobicContact CD2-CD 4.19Å; L476-K625 HydrophobicContact CD2-CG 4.06Å; V621-K625 HydrophobicContact CG1-CB 4.08Å; V621-K625 HydrophobicContact CG1-CD 4.13Å; V621-K625 HydrophobicContact CG1-CG 4.34Å; E622-K625 HydrophobicContact CB-CB 4.27Å; E622-K625 WeakPolarHBondContact O-CA 3.37Å; E622-K625 VanDerWaalsContact O-CB 3.32Å; E622-K625 WeakPolarHBondContact O-CB 3.44Å; E622-K625 PolarHBondContact O-N 3.01Å; K623-K625 VanDerWaalsContact C-N 3.33Å; K625-E627 PolarHBondContact O-N 3.4Å; K625-Q628 PolarHBondContact O-N 2.59Å; K625-T629 WeakPolarHBondContact O-CB 3.18Å; K625-T629 PolarHBondContact O-N 3.21Å; K625-T629 PolarHBondContact O-OG1 2.76Å; K625-T629 VanDerWaalsContact O-OG1 3.1Å
626I87.3Confident85.3Confident3 Ų363.7 Ų63.72%0.01531%0.31CS..Hα-helixtrans-61.5-43173.6-60.4173.5000111.3L614 V615 L618 V621 E622 K623 T630L614-I626 HydrophobicContact CB-CG2 3.57Å; L614-I626 HydrophobicContact CD1-CG2 4.02Å; L614-I626 HydrophobicContact CG-CG2 4.47Å; V615-I626 HydrophobicContact CG2-CD1 4.03Å; V615-I626 HydrophobicContact CG2-CG2 4.12Å; L618-I626 HydrophobicContact CB-CD1 4.3Å; V621-I626 HydrophobicContact CB-CD1 4.15Å; V621-I626 HydrophobicContact CB-CG1 4.14Å; V621-I626 HydrophobicContact CG1-CD1 4.34Å; V621-I626 HydrophobicContact CG1-CG1 3.8Å; E622-I626 PolarHBondContact O-N 3.38Å; E622-I626 VanDerWaalsContact O-N 3.15Å; K623-I626 PolarHBondContact O-N 3.21Å; I626-T630 WeakPolarHBondContact O-CB 2.95Å; I626-T630 PolarHBondContact O-N 3.47Å; I626-T630 PolarHBondContact O-OG1 3.29Å
627E89.3Confident85.6Confident66 Ų6657 Ų5731%0.30829%0.285SS..Hα-helixtrans-61-47.9177.1-173173.7-179.600111.1K574 K623 K624 K625 T630 L631K574-E627 IonicContact NZ-OE1 3.58Å; K574-E627 PolarHBondContact NZ-OE1 3.39Å; K623-E627 PolarHBondContact O-N 3.45Å; K624-E627 PolarHBondContact O-N 3.11Å; K625-E627 PolarHBondContact O-N 3.4Å; E627-T630 PolarHBondContact O-N 3.02Å; E627-L631 HydrophobicContact CG-CD1 4.43Å; E627-L631 WeakPolarHBondContact O-CG 3.23Å; E627-L631 PolarHBondContact O-N 3.26Å
628Q89.9Confident86.2Confident85 Ų8553 Ų5340%0.39727%0.267SS..Hα-helixtrans-61.4-49.1178.3-174.357.542.700111.9K624 K625 T630 L631 D632K624-Q628 PolarHBondContact O-N 2.72Å; K625-Q628 PolarHBondContact O-N 2.59Å; Q628-T630 VanDerWaalsContact C-N 3.29Å; Q628-T630 PolarHBondContact O-N 2.96Å; Q628-L631 WeakPolarHBondContact O-CB 3.29Å; Q628-L631 PolarHBondContact O-N 3.31Å; Q628-L631 VanDerWaalsContact O-N 3.12Å; Q628-D632 WeakPolarHBondContact CG-OD2 3.42Å; Q628-D632 VanDerWaalsContact NE2-CG 3.25Å; Q628-D632 PolarHBondContact NE2-OD1 3.47Å; Q628-D632 PolarHBondContact NE2-OD2 2.95Å; Q628-D632 WeakPolarHBondContact O-CB 3.4Å; Q628-D632 VanDerWaalsContact O-CG 3.25Å; Q628-D632 PolarHBondContact O-N 3.01Å
629T88.9Confident86.7Confident3 Ų353.7 Ų53.72%0.01827%0.271CS..Hα-helixtrans-61.8-36.6178.7-65.60000112.5V472 E475 L476 K625 D632 Y633V472-T629 HydrophobicContact CB-CG2 4.29Å; V472-T629 HydrophobicContact CG1-CG2 3.12Å; V472-T629 HydrophobicContact CG2-CG2 4.29Å; E475-T629 PolarHBondContact OE2-OG1 3.39Å; L476-T629 HydrophobicContact CD1-CG2 3.32Å; L476-T629 HydrophobicContact CG-CG2 3.89Å; K625-T629 WeakPolarHBondContact O-CB 3.18Å; K625-T629 PolarHBondContact O-N 3.21Å; K625-T629 PolarHBondContact O-OG1 2.76Å; K625-T629 VanDerWaalsContact O-OG1 3.1Å; T629-D632 PolarHBondContact O-N 2.81Å; T629-Y633 WeakPolarHBondContact O-CB 3.44Å; T629-Y633 PolarHBondContact O-N 3.49Å
630T91.5Very high87.8Confident1 Ų145.3 Ų45.31%0.00623%0.231CC..Hα-helixtrans-64.3-43.8174.8-57.10000111.3V607 L610 R611 I626 E627 Q628 D632 I634V607-T630 HydrophobicContact CB-CG2 4.41Å; V607-T630 HydrophobicContact CG1-CG2 4.04Å; V607-T630 WeakPolarHBondContact O-CG2 3.17Å; L610-T630 HydrophobicContact CB-CG2 4.03Å; L610-T630 HydrophobicContact CD2-CG2 4.03Å; L610-T630 HydrophobicContact CG-CG2 4.02Å; R611-T630 HydrophobicContact CB-CG2 4.27Å; I626-T630 WeakPolarHBondContact O-CB 2.95Å; I626-T630 PolarHBondContact O-N 3.47Å; I626-T630 PolarHBondContact O-OG1 3.29Å; E627-T630 PolarHBondContact O-N 3.02Å; Q628-T630 VanDerWaalsContact C-N 3.29Å; Q628-T630 PolarHBondContact O-N 2.96Å; T630-D632 VanDerWaalsContact C-N 3.34Å; T630-I634 HydrophobicContact CG2-CD1 4.17Å; T630-I634 WeakPolarHBondContact O-CG1 3.41Å; T630-I634 PolarHBondContact O-N 3.13Å
631L91.6Very high88.8Confident15 Ų1541.4 Ų41.48%0.07919%0.191CC..Hα-helixtrans-62.8-43.2175.8-69.1172.7000110.7K574 V575 V607 E627 Q628 I634 S635K574-L631 HydrophobicContact CB-CD1 4.42Å; K574-L631 HydrophobicContact CB-CD2 3.89Å; V575-L631 HydrophobicContact CG2-CD2 3.59Å; V607-L631 HydrophobicContact CG1-CD2 4.29Å; V607-L631 HydrophobicContact CG2-CD2 4.39Å; E627-L631 HydrophobicContact CG-CD1 4.43Å; E627-L631 WeakPolarHBondContact O-CG 3.23Å; E627-L631 PolarHBondContact O-N 3.26Å; Q628-L631 WeakPolarHBondContact O-CB 3.29Å; Q628-L631 PolarHBondContact O-N 3.31Å; Q628-L631 VanDerWaalsContact O-N 3.12Å; L631-I634 PolarHBondContact O-N 3.38Å; L631-S635 WeakPolarHBondContact O-CB 3.42Å; L631-S635 PolarHBondContact O-N 3.1Å; L631-S635 PolarHBondContact O-OG 3.24Å
632D89.9Confident89.3Confident7 Ų739.6 Ų39.64%0.03718%0.18CC..Hα-helixtrans-66.9-41.3-178.6-69.8-28.5000112.4N578 R582 Q628 T629 T630 I634 S635 K636N578-D632 PolarHBondContact ND2-OD1 2.99Å; R582-D632 IonicContact CZ-OD1 2.76Å; R582-D632 IonicContact NE-OD1 3.87Å; R582-D632 IonicContact NH2-OD1 3.84Å; R582-D632 PolarHBondContact NH2-OD1 3.25Å; R582-D632 IonicContact NH2-OD2 2.68Å; R582-D632 PolarHBondContact NH2-OD2 2.95Å; R582-D632 VanDerWaalsContact NH2-OD2 3.09Å; Q628-D632 WeakPolarHBondContact CG-OD2 3.42Å; Q628-D632 VanDerWaalsContact NE2-CG 3.25Å; Q628-D632 PolarHBondContact NE2-OD1 3.47Å; Q628-D632 PolarHBondContact NE2-OD2 2.95Å; Q628-D632 WeakPolarHBondContact O-CB 3.4Å; Q628-D632 VanDerWaalsContact O-CG 3.25Å; Q628-D632 PolarHBondContact O-N 3.01Å; T629-D632 PolarHBondContact O-N 2.81Å; T630-D632 VanDerWaalsContact C-N 3.34Å; D632-I634 PolarHBondContact O-N 3.43Å; D632-S635 PolarHBondContact O-N 3.4Å; D632-K636 VanDerWaalsContact O-CB 3.22Å; D632-K636 WeakPolarHBondContact O-CB 3.36Å; D632-K636 PolarHBondContact O-N 3.09Å
633Y90.9Very high89.5Confident4 Ų433.7 Ų33.72%0.01615%0.154CC..Hα-helixtrans-56-51.4173.7-174.5-96.8000112V472 L483 L610 T629 K636 L637V472-Y633 HydrophobicContact CB-CD2 4.47Å; V472-Y633 HydrophobicContact CG2-CD2 4.06Å; V472-Y633 HydrophobicContact CG2-CG 4.48Å; L483-Y633 HydrophobicContact CD1-CD2 3.83Å; L483-Y633 HydrophobicContact CD1-CE2 3.84Å; L610-Y633 HydrophobicContact CD2-CD1 3.66Å; L610-Y633 HydrophobicContact CD2-CE1 4.27Å; L610-Y633 HydrophobicContact CD2-CG 4.12Å; T629-Y633 WeakPolarHBondContact O-CB 3.44Å; T629-Y633 PolarHBondContact O-N 3.49Å; Y633-K636 PolarHBondContact O-N 3.37Å; Y633-L637 PolarHBondContact O-N 3.1Å; Y633-L637 VanDerWaalsContact O-N 3.09Å
634I92.4Very high89.7Confident0 Ų026 Ų260%012%0.121CC..Hα-helixtrans-75.2-35.5-175.1-61.1170.6000110.8V575 I603 M606 V607 T630 L631 D632 L637 L638V575-I634 HydrophobicContact CG1-CB 4.45Å; V575-I634 HydrophobicContact CG1-CG2 3.93Å; V575-I634 HydrophobicContact CG2-CB 4.44Å; V575-I634 HydrophobicContact CG2-CG2 4.28Å; I603-I634 HydrophobicContact CG2-CG2 4.19Å; M606-I634 HydrophobicContact CB-CD1 3.86Å; V607-I634 VanDerWaalsContact CA-CD1 3.43Å; V607-I634 HydrophobicContact CB-CD1 4Å; V607-I634 HydrophobicContact CG2-CD1 3.41Å; V607-I634 VanDerWaalsContact CG2-CD1 3.41Å; V607-I634 VanDerWaalsContact N-CD1 3.28Å; T630-I634 HydrophobicContact CG2-CD1 4.17Å; T630-I634 WeakPolarHBondContact O-CG1 3.41Å; T630-I634 PolarHBondContact O-N 3.13Å; L631-I634 PolarHBondContact O-N 3.38Å; D632-I634 PolarHBondContact O-N 3.43Å; I634-L637 PolarHBondContact O-N 2.9Å; I634-L638 PolarHBondContact O-N 3.11Å; I634-L638 VanDerWaalsContact O-N 3.08Å
635S91.3Very high89.7Confident2 Ų218.1 Ų18.11%0.0149%0.087CC..Hα-helixtrans-64.1-41.9174.4-550000110.9V575 N578 L631 D632 L638 N639V575-S635 PolarHBondContact O-OG 3.47Å; N578-S635 PolarHBondContact ND2-OG 2.96Å; L631-S635 WeakPolarHBondContact O-CB 3.42Å; L631-S635 PolarHBondContact O-N 3.1Å; L631-S635 PolarHBondContact O-OG 3.24Å; D632-S635 PolarHBondContact O-N 3.4Å; S635-L638 PolarHBondContact O-N 2.93Å; S635-N639 VanDerWaalsContact O-CB 3.26Å; S635-N639 WeakPolarHBondContact O-CB 3.25Å; S635-N639 PolarHBondContact O-N 3.38Å
636K90.4Very high89.6Confident35 Ų3514.2 Ų14.215%0.1527%0.07CC..Hα-helixtrans-59.9-49.2174.9177.769173.2-171.80110.9E440 S467 S471 D632 Y633 L638 N639 L640E440-K636 WeakPolarHBondContact OE1-CE 3.35Å; E440-K636 IonicContact OE1-NZ 3.1Å; E440-K636 PolarHBondContact OE1-NZ 3.03Å; E440-K636 IonicContact OE2-NZ 2.66Å; E440-K636 PolarHBondContact OE2-NZ 3.48Å; S467-K636 WeakPolarHBondContact OG-CE 3.37Å; S471-K636 WeakPolarHBondContact OG-CG 3.31Å; D632-K636 VanDerWaalsContact O-CB 3.22Å; D632-K636 WeakPolarHBondContact O-CB 3.36Å; D632-K636 PolarHBondContact O-N 3.09Å; Y633-K636 PolarHBondContact O-N 3.37Å; K636-L638 PolarHBondContact O-N 2.96Å; K636-N639 CarbonylContact O-C 3.58Å; K636-N639 WeakPolarHBondContact O-CB 3.36Å; K636-N639 PolarHBondContact O-N 3.33Å; K636-N639 VanDerWaalsContact O-N 3.13Å; K636-L640 HydrophobicContact CD-CG 4.35Å; K636-L640 HydrophobicContact CG-CD1 4.24Å; K636-L640 HydrophobicContact CG-CG 4.4Å; K636-L640 WeakPolarHBondContact O-CG 3.09Å; K636-L640 PolarHBondContact O-N 3.15Å
637L91.9Very high89.6Confident0 Ų015.5 Ų15.50%08%0.078CC..Hα-helixtrans-55.4-49.8178.7179.9157.6000112.1Y633 I634 N639 L640 I641 F688 P689Y633-L637 PolarHBondContact O-N 3.1Å; Y633-L637 VanDerWaalsContact O-N 3.09Å; I634-L637 PolarHBondContact O-N 2.9Å; L637-N639 VanDerWaalsContact C-N 3.31Å; L637-N639 PolarHBondContact O-N 3.35Å; L637-L640 PolarHBondContact O-N 3.12Å; L637-I641 HydrophobicContact CD2-CD1 3.95Å; L637-I641 PolarHBondContact O-N 2.71Å; L637-F688 HydrophobicContact CD1-CB 4.25Å; L637-F688 HydrophobicContact CD1-CD1 3.82Å; L637-F688 HydrophobicContact CD1-CD2 3.57Å; L637-F688 HydrophobicContact CD1-CE1 3.92Å; L637-F688 HydrophobicContact CD1-CE2 3.68Å; L637-F688 HydrophobicContact CD1-CG 3.64Å; L637-F688 HydrophobicContact CD1-CZ 3.86Å; L637-F688 HydrophobicContact CD2-CB 4.22Å; L637-F688 HydrophobicContact CD2-CG 4.48Å; L637-F688 HydrophobicContact CG-CD2 4.22Å; L637-F688 HydrophobicContact CG-CG 4.47Å; L637-P689 HydrophobicContact CD2-CG 4.09Å
638L90.5Very high89.3Confident1 Ų113 Ų131%0.0057%0.066CC..Hα-helixtrans-63.9-38.5177.5-72.4172.9000112V575 M579 I603 I634 S635 K636 I641 W642 P689 P691V575-L638 HydrophobicContact CG1-CD1 3.65Å; M579-L638 HydrophobicContact SD-CB 3.92Å; I603-L638 HydrophobicContact CD1-CD1 3.83Å; I603-L638 HydrophobicContact CD1-CD2 4.43Å; I603-L638 HydrophobicContact CG1-CD1 4.09Å; I603-L638 HydrophobicContact CG2-CD1 4.36Å; I634-L638 PolarHBondContact O-N 3.11Å; I634-L638 VanDerWaalsContact O-N 3.08Å; S635-L638 PolarHBondContact O-N 2.93Å; K636-L638 PolarHBondContact O-N 2.96Å; L638-I641 PolarHBondContact O-N 2.69Å; L638-W642 WeakPolarHBondContact O-CB 3.39Å; L638-W642 PolarHBondContact O-N 3.28Å; L638-P689 HydrophobicContact CD2-CB 4.1Å; L638-P689 HydrophobicContact CD2-CG 3.94Å; L638-P689 WeakPolarHBondContact CD2-O 3.47Å; L638-P689 HydrophobicContact CG-CG 4.39Å; L638-P691 HydrophobicContact CD2-CG 4.47Å
639N89.1Confident88.8Confident30 Ų309.9 Ų9.916%0.165%0.051CC..Hα-helixtrans-65.6-37.6176.7-169.672.9000112.3M579 R587 S635 K636 L637 W642 C643M579-N639 HydrophobicContact CE-CB 4.37Å; M579-N639 HydrophobicContact CG-CB 4.35Å; R587-N639 PolarHBondContact NH2-OD1 3.31Å; S635-N639 VanDerWaalsContact O-CB 3.26Å; S635-N639 WeakPolarHBondContact O-CB 3.25Å; S635-N639 PolarHBondContact O-N 3.38Å; K636-N639 CarbonylContact O-C 3.58Å; K636-N639 WeakPolarHBondContact O-CB 3.36Å; K636-N639 PolarHBondContact O-N 3.33Å; K636-N639 VanDerWaalsContact O-N 3.13Å; L637-N639 VanDerWaalsContact C-N 3.31Å; L637-N639 PolarHBondContact O-N 3.35Å; N639-W642 WeakPolarHBondContact O-CB 3.19Å; N639-W642 PolarHBondContact O-N 3.34Å; N639-C643 WeakPolarHBondContact O-CB 3.27Å; N639-C643 PolarHBondContact O-N 2.67Å; N639-C643 PolarHBondContact O-SG 3.49Å
640L90.7Very high88.5Confident0 Ų015.5 Ų15.50%07%0.072CC..Hα-helixtrans-63.3-45.1176.1-69.8171.8000111.8I444 F463 L464 S467 K636 L637 W642 C643 M644I444-L640 HydrophobicContact CD1-CD2 4.35Å; F463-L640 HydrophobicContact CE1-CD2 3.94Å; F463-L640 HydrophobicContact CZ-CD2 3.89Å; L464-L640 HydrophobicContact CD2-CB 3.73Å; L464-L640 HydrophobicContact CD2-CD1 4.2Å; S467-L640 WeakPolarHBondContact OG-CD1 3.4Å; K636-L640 HydrophobicContact CD-CG 4.35Å; K636-L640 HydrophobicContact CG-CD1 4.24Å; K636-L640 HydrophobicContact CG-CG 4.4Å; K636-L640 WeakPolarHBondContact O-CG 3.09Å; K636-L640 PolarHBondContact O-N 3.15Å; L637-L640 PolarHBondContact O-N 3.12Å; L640-W642 VanDerWaalsContact C-N 3.29Å; L640-W642 PolarHBondContact O-N 3.07Å; L640-C643 PolarHBondContact O-N 2.57Å; L640-M644 HydrophobicContact CB-CE 4.28Å; L640-M644 WeakPolarHBondContact O-CE 3.45Å; L640-M644 WeakPolarHBondContact O-CG 3.29Å; L640-M644 PolarHBondContact O-N 3Å
641I90.6Very high87.9Confident0 Ų020.6 Ų20.60%09%0.094CC..Hα-helixtrans-60.2-44.1175.8-64.5172.4000110.1L464 L637 L638 M644 L645 I679 P689 L690 P691 F694L464-I641 HydrophobicContact CD1-CD1 4.45Å; L464-I641 HydrophobicContact CD1-CG1 4.24Å; L464-I641 HydrophobicContact CD2-CG1 3.79Å; L637-I641 HydrophobicContact CD2-CD1 3.95Å; L637-I641 PolarHBondContact O-N 2.71Å; L638-I641 PolarHBondContact O-N 2.69Å; I641-M644 PolarHBondContact O-N 3.33Å; I641-L645 WeakPolarHBondContact O-CG 3.44Å; I641-L645 PolarHBondContact O-N 3.11Å; I641-I679 HydrophobicContact CG2-CG2 3.86Å; I641-P689 WeakPolarHBondContact CD1-O 3.28Å; I641-L690 HydrophobicContact CD1-CD2 4.24Å; I641-L690 HydrophobicContact CG2-CD2 4.23Å; I641-P691 HydrophobicContact CB-CG 4.38Å; I641-P691 HydrophobicContact CG2-CG 4.03Å; I641-F694 HydrophobicContact CG2-CE2 4.46Å
642W86.3Confident87.2Confident4 Ų422.9 Ų22.92%0.01510%0.104CC..Hα-helixtrans-59.7-51.4175.2-175.8-77.7000112.8M579 R587 I589 L591 L592 L638 N639 L640 M644 L645 E646 P691M579-W642 HydrophobicContact CE-CB 3.73Å; M579-W642 HydrophobicContact CE-CD2 4.17Å; M579-W642 HydrophobicContact CE-CE3 4.11Å; M579-W642 HydrophobicContact CE-CG 4Å; R587-W642 HydrophobicContact CB-CZ2 3.63Å; R587-W642 VanDerWaalsContact CD-CE2 3.5Å; R587-W642 HydrophobicContact CG-CZ2 4.12Å; I589-W642 HydrophobicContact CB-CZ2 4.23Å; I589-W642 WeakPolarHBondContact O-CH2 3.2Å; I589-W642 WeakPolarHBondContact O-CZ2 2.89Å; L591-W642 HydrophobicContact CB-CE3 4.32Å; L591-W642 HydrophobicContact CB-CH2 3.92Å; L591-W642 HydrophobicContact CB-CZ3 3.46Å; L591-W642 VanDerWaalsContact CB-CZ3 3.46Å; L591-W642 HydrophobicContact CD1-CE3 3.99Å; L591-W642 HydrophobicContact CD1-CH2 4.34Å; L591-W642 HydrophobicContact CD1-CZ3 3.87Å; L591-W642 HydrophobicContact CG-CH2 4.18Å; L591-W642 HydrophobicContact CG-CZ3 3.94Å; L592-W642 HydrophobicContact CB-CZ3 4.34Å; L592-W642 HydrophobicContact CD1-CE3 4.12Å; L592-W642 HydrophobicContact CD1-CH2 4.01Å; L592-W642 HydrophobicContact CD1-CZ3 3.64Å; L592-W642 HydrophobicContact CG-CE3 4.3Å; L592-W642 HydrophobicContact CG-CH2 4.21Å; L592-W642 HydrophobicContact CG-CZ3 3.6Å; L638-W642 WeakPolarHBondContact O-CB 3.39Å; L638-W642 PolarHBondContact O-N 3.28Å; N639-W642 WeakPolarHBondContact O-CB 3.19Å; N639-W642 PolarHBondContact O-N 3.34Å; L640-W642 VanDerWaalsContact C-N 3.29Å; L640-W642 PolarHBondContact O-N 3.07Å; W642-M644 VanDerWaalsContact C-N 3.27Å; W642-M644 PolarHBondContact O-N 3.43Å; W642-L645 WeakPolarHBondContact O-CB 3.46Å; W642-L645 PolarHBondContact O-N 3.42Å; W642-E646 PolarHBondContact NE1-OE2 2.89Å; W642-E646 PolarHBondContact O-N 2.73Å; W642-P691 HydrophobicContact CE3-CB 4.09Å; W642-P691 HydrophobicContact CE3-CG 4.35Å; W642-P691 HydrophobicContact CZ3-CB 4.5Å
643C87.8Confident86Confident21 Ų2127 Ų2714%0.14213%0.134CC..Hα-helixtrans-61.8-36.3-178.1-70.40000111.6I444 N639 L640 L645 E646 T647I444-C643 HydrophobicContact CD1-CB 3.66Å; N639-C643 WeakPolarHBondContact O-CB 3.27Å; N639-C643 PolarHBondContact O-N 2.67Å; N639-C643 PolarHBondContact O-SG 3.49Å; L640-C643 PolarHBondContact O-N 2.57Å; C643-L645 VanDerWaalsContact C-N 3.35Å; C643-L645 PolarHBondContact O-N 2.88Å; C643-E646 PolarHBondContact O-N 3.34Å; C643-T647 VanDerWaalsContact O-CB 3.29Å; C643-T647 WeakPolarHBondContact O-CB 3.38Å; C643-T647 PolarHBondContact O-N 3Å; C643-T647 PolarHBondContact O-OG1 3.24Å
644M89.5Confident84.5Confident1 Ų127.4 Ų27.41%0.00514%0.137CC..Hα-helixtrans-58.6-45.1172-78.1-175.8-104.800112.1I444 V447 C448 I460 F463 L464 L640 I641 W642 I648 I679I444-M644 HydrophobicContact CG2-CB 4.38Å; I444-M644 HydrophobicContact CG2-CG 3.82Å; V447-M644 HydrophobicContact CG1-SD 4.36Å; C448-M644 PolarHBondContact SG-O 3.38Å; I460-M644 HydrophobicContact CG2-SD 4.36Å; F463-M644 HydrophobicContact CD1-CE 3.84Å; F463-M644 HydrophobicContact CD1-SD 4.39Å; F463-M644 HydrophobicContact CE1-CE 4Å; L464-M644 HydrophobicContact CD2-CE 3.41Å; L464-M644 VanDerWaalsContact CD2-CE 3.41Å; L464-M644 HydrophobicContact CG-CE 3.94Å; L640-M644 HydrophobicContact CB-CE 4.28Å; L640-M644 WeakPolarHBondContact O-CE 3.45Å; L640-M644 WeakPolarHBondContact O-CG 3.29Å; L640-M644 PolarHBondContact O-N 3Å; I641-M644 PolarHBondContact O-N 3.33Å; W642-M644 VanDerWaalsContact C-N 3.27Å; W642-M644 PolarHBondContact O-N 3.43Å; M644-I648 PolarHBondContact O-N 3.5Å; M644-I679 HydrophobicContact CB-CD1 4.09Å; M644-I679 HydrophobicContact SD-CD1 4.47Å
645L87.1Confident82.9Confident4 Ų434.1 Ų34.12%0.02117%0.168CC..Hα-helixtrans-64.8-47176.9-63.2171.9000111.6I589 L591 I641 W642 C643 T647 I648 W649 M676 I679 F694I589-L645 HydrophobicContact CD1-CB 4.1Å; L591-L645 HydrophobicContact CD1-CD1 3.61Å; I641-L645 WeakPolarHBondContact O-CG 3.44Å; I641-L645 PolarHBondContact O-N 3.11Å; W642-L645 WeakPolarHBondContact O-CB 3.46Å; W642-L645 PolarHBondContact O-N 3.42Å; C643-L645 VanDerWaalsContact C-N 3.35Å; C643-L645 PolarHBondContact O-N 2.88Å; L645-T647 VanDerWaalsContact C-N 3.32Å; L645-T647 PolarHBondContact O-N 3.46Å; L645-I648 PolarHBondContact O-N 2.92Å; L645-W649 WeakPolarHBondContact O-CB 3.44Å; L645-W649 PolarHBondContact O-N 3.08Å; L645-M676 HydrophobicContact CD2-CE 4.34Å; L645-M676 HydrophobicContact CD2-CG 3.47Å; L645-M676 VanDerWaalsContact CD2-CG 3.47Å; L645-M676 HydrophobicContact CD2-SD 4.22Å; L645-I679 HydrophobicContact CD2-CD1 3.96Å; L645-I679 HydrophobicContact CG-CD1 4.43Å; L645-F694 HydrophobicContact CD1-CD2 3.71Å; L645-F694 HydrophobicContact CD1-CE2 3.84Å; L645-F694 HydrophobicContact CD2-CE2 4.07Å; L645-F694 HydrophobicContact CG-CE2 4.46Å
646E84.9Confident81.2Confident16 Ų1638.2 Ų38.28%0.07519%0.194CC..Hα-helixtrans-63.9-38.1-178.7-174.8164.3-176.800112.1W642 C643 I648 W649 R650W642-E646 PolarHBondContact NE1-OE2 2.89Å; W642-E646 PolarHBondContact O-N 2.73Å; C643-E646 PolarHBondContact O-N 3.34Å; E646-I648 PolarHBondContact O-N 2.95Å; E646-W649 PolarHBondContact O-N 2.99Å; E646-R650 HydrophobicContact CG-CG 4.36Å; E646-R650 WeakPolarHBondContact O-CB 3.4Å; E646-R650 VanDerWaalsContact O-CG 3.3Å; E646-R650 WeakPolarHBondContact O-CG 3.21Å; E646-R650 PolarHBondContact O-N 3.47Å; E646-R650 IonicContact OE1-CZ 3.72Å; E646-R650 VanDerWaalsContact OE1-CZ 3.32Å; E646-R650 IonicContact OE1-NE 2.98Å; E646-R650 PolarHBondContact OE1-NE 3.23Å; E646-R650 IonicContact OE1-NH2 3.78Å; E646-R650 PolarHBondContact OE1-NH2 2.88Å
647T86.6Confident79.3Confident30 Ų3044.9 Ų44.918%0.18422%0.219CC..Hα-helixtrans-61.1-45.3179.3-61.40000111.5I444 Q445 C643 L645 K651I444-T647 WeakPolarHBondContact CG2-OG1 3.47Å; Q445-T647 HydrophobicContact CB-CG2 3.99Å; Q445-T647 HydrophobicContact CG-CG2 4.3Å; C643-T647 VanDerWaalsContact O-CB 3.29Å; C643-T647 WeakPolarHBondContact O-CB 3.38Å; C643-T647 PolarHBondContact O-N 3Å; C643-T647 PolarHBondContact O-OG1 3.24Å; L645-T647 VanDerWaalsContact C-N 3.32Å; L645-T647 PolarHBondContact O-N 3.46Å; T647-K651 WeakPolarHBondContact O-CB 3.46Å; T647-K651 PolarHBondContact O-N 2.87Å
648I82.8Confident77.5Confident13 Ų1345.7 Ų45.77%0.06722%0.224CC..Hα-helixtrans-73-37.6177-83.6161.2000111.9C448 M644 L645 E646 R650 K651 H652 V672 L675C448-I648 HydrophobicContact CB-CD1 3.49Å; C448-I648 VanDerWaalsContact CB-CD1 3.49Å; C448-I648 HydrophobicContact CB-CG1 3.95Å; M644-I648 PolarHBondContact O-N 3.5Å; L645-I648 PolarHBondContact O-N 2.92Å; E646-I648 PolarHBondContact O-N 2.95Å; I648-R650 VanDerWaalsContact C-N 3.29Å; I648-R650 PolarHBondContact O-N 3.4Å; I648-K651 PolarHBondContact O-N 3.43Å; I648-H652 PolarHBondContact O-CD2 3.33Å; I648-H652 PolarHBondContact O-N 3.3Å; I648-V672 HydrophobicContact CG2-CB 4.29Å; I648-V672 HydrophobicContact CG2-CG2 3.6Å; I648-L675 HydrophobicContact CD1-CB 4.11Å; I648-L675 HydrophobicContact CD1-CD2 2.96Å; I648-L675 HydrophobicContact CD1-CG 4.01Å; I648-L675 HydrophobicContact CG1-CD2 4.32Å
649W80.8Confident75.9Confident21 Ų2148.7 Ų48.78%0.0824%0.239CC..Hα-helixtrans-58.6-44.2175.7-155.4-77.6000111.6I589 L645 E646 S653 V654 V658 V672 L697 L701I589-W649 HydrophobicContact CD1-CB 3.94Å; I589-W649 HydrophobicContact CD1-CD2 3.87Å; I589-W649 HydrophobicContact CD1-CE3 3.83Å; I589-W649 HydrophobicContact CD1-CG 3.93Å; I589-W649 HydrophobicContact CG1-CB 4.43Å; I589-W649 HydrophobicContact CG1-CD2 4.06Å; I589-W649 HydrophobicContact CG1-CE3 4.41Å; I589-W649 HydrophobicContact CG1-CG 4.06Å; L645-W649 WeakPolarHBondContact O-CB 3.44Å; L645-W649 PolarHBondContact O-N 3.08Å; E646-W649 PolarHBondContact O-N 2.99Å; W649-S653 PolarHBondContact O-N 3.35Å; W649-V654 HydrophobicContact CD2-CB 4.05Å; W649-V654 HydrophobicContact CD2-CG1 4.18Å; W649-V654 HydrophobicContact CG-CB 4.22Å; W649-V654 HydrophobicContact CH2-CG1 3.93Å; W649-V654 HydrophobicContact CZ2-CB 4.14Å; W649-V654 HydrophobicContact CZ2-CG1 3.45Å; W649-V654 VanDerWaalsContact CZ2-CG1 3.45Å; W649-V654 HydrophobicContact CZ3-CG1 4.46Å; W649-V654 PolarHBondContact NE1-O 2.83Å; W649-V654 PolarHBondContact O-N 3.12Å; W649-V658 HydrophobicContact CH2-CB 4.1Å; W649-V658 HydrophobicContact CH2-CG1 3.93Å; W649-V658 HydrophobicContact CZ2-CB 4.14Å; W649-V658 HydrophobicContact CZ2-CG1 4.47Å; W649-V658 HydrophobicContact CZ2-CG2 4.48Å; W649-V672 HydrophobicContact CE3-CG1 4.09Å; W649-V672 HydrophobicContact CZ3-CG1 4.08Å; W649-L697 HydrophobicContact CE3-CD2 4.5Å; W649-L697 HydrophobicContact CH2-CD1 3.82Å; W649-L697 HydrophobicContact CH2-CD2 4.41Å; W649-L697 HydrophobicContact CZ3-CD1 3.95Å; W649-L697 HydrophobicContact CZ3-CD2 3.78Å; W649-L697 HydrophobicContact CZ3-CG 4.4Å; W649-L701 HydrophobicContact CZ3-CD1 4.45Å
650R82Confident74.6Confident120 Ų12051.5 Ų51.545%0.45325%0.251SS..Hα-helixtrans-63.4-49.5173.6-72.7177.4-176.3-159.9-0.8111.3E585 L588 E646 I648 H652 S653E585-R650 IonicContact OE2-CZ 3.16Å; E585-R650 IonicContact OE2-NH1 3.76Å; E585-R650 IonicContact OE2-NH2 2.67Å; E585-R650 PolarHBondContact OE2-NH2 3.39Å; E585-R650 VanDerWaalsContact OE2-NH2 3.14Å; L588-R650 HydrophobicContact CD1-CG 3.47Å; L588-R650 VanDerWaalsContact CD1-CG 3.47Å; E646-R650 HydrophobicContact CG-CG 4.36Å; E646-R650 WeakPolarHBondContact O-CB 3.4Å; E646-R650 VanDerWaalsContact O-CG 3.3Å; E646-R650 WeakPolarHBondContact O-CG 3.21Å; E646-R650 PolarHBondContact O-N 3.47Å; E646-R650 IonicContact OE1-CZ 3.72Å; E646-R650 VanDerWaalsContact OE1-CZ 3.32Å; E646-R650 IonicContact OE1-NE 2.98Å; E646-R650 PolarHBondContact OE1-NE 3.23Å; E646-R650 IonicContact OE1-NH2 3.78Å; E646-R650 PolarHBondContact OE1-NH2 2.88Å; I648-R650 VanDerWaalsContact C-N 3.29Å; I648-R650 PolarHBondContact O-N 3.4Å; R650-H652 VanDerWaalsContact C-N 3.32Å; R650-H652 PolarHBondContact O-N 2.89Å; R650-S653 PolarHBondContact O-N 3.16Å; R650-S653 VanDerWaalsContact O-N 3.1Å
651K80Confident73.2Confident109 Ų10952 Ų5247%0.47425%0.254SS..Hα-helixtrans-56.3-45.2-178.6178.5176.7176.4172.10112.5E449 T647 I648 S653E449-K651 VanDerWaalsContact CD-NZ 3.28Å; E449-K651 VanDerWaalsContact CG-NZ 3.3Å; E449-K651 IonicContact OE1-NZ 2.92Å; E449-K651 PolarHBondContact OE1-NZ 3.4Å; T647-K651 WeakPolarHBondContact O-CB 3.46Å; T647-K651 PolarHBondContact O-N 2.87Å; I648-K651 PolarHBondContact O-N 3.43Å; K651-S653 VanDerWaalsContact C-N 3.28Å; K651-S653 PolarHBondContact O-N 3.48Å
652H75.8Confident71.7Confident62 Ų6256.9 Ų56.929%0.28728%0.28SS..THydrogen-bonded Turntrans-87.12.9-177.1-72.2-81.1000113.5I648 R650 V654 A668I648-H652 PolarHBondContact O-CD2 3.33Å; I648-H652 PolarHBondContact O-N 3.3Å; R650-H652 VanDerWaalsContact C-N 3.32Å; R650-H652 PolarHBondContact O-N 2.89Å; H652-V654 HydrophobicContact CB-CG2 3.66Å; H652-V654 PolarHBondContact O-N 2.8Å; H652-V654 VanDerWaalsContact O-N 3.14Å; H652-A668 HydrophobicContact CB-CB 3.72Å
653S64.6Low70.5Confident94 Ų9461.9 Ų61.966%0.65731%0.307SS*.THydrogen-bonded Turntrans49.238.5-178.5-60.20000112.3W649 R650 K651 H655W649-S653 PolarHBondContact O-N 3.35Å; R650-S653 PolarHBondContact O-N 3.16Å; R650-S653 VanDerWaalsContact O-N 3.1Å; K651-S653 VanDerWaalsContact C-N 3.28Å; K651-S653 PolarHBondContact O-N 3.48Å; S653-H655 PolarHBondContact O-N 3.42Å
654V59.8Low69.4Low13 Ų1372.1 Ų72.18%0.07934%0.342CS..  trans-67.8112.1-176-179.10000107.5W649 H652 V658 A668 V672W649-V654 HydrophobicContact CD2-CB 4.05Å; W649-V654 HydrophobicContact CD2-CG1 4.18Å; W649-V654 HydrophobicContact CG-CB 4.22Å; W649-V654 HydrophobicContact CH2-CG1 3.93Å; W649-V654 HydrophobicContact CZ2-CB 4.14Å; W649-V654 HydrophobicContact CZ2-CG1 3.45Å; W649-V654 VanDerWaalsContact CZ2-CG1 3.45Å; W649-V654 HydrophobicContact CZ3-CG1 4.46Å; W649-V654 PolarHBondContact NE1-O 2.83Å; W649-V654 PolarHBondContact O-N 3.12Å; H652-V654 HydrophobicContact CB-CG2 3.66Å; H652-V654 PolarHBondContact O-N 2.8Å; H652-V654 VanDerWaalsContact O-N 3.14Å; V654-V658 HydrophobicContact CG1-CB 4.11Å; V654-V658 HydrophobicContact CG1-CG2 3.18Å; V654-A668 HydrophobicContact CG2-CB 4.37Å; V654-V672 HydrophobicContact CG2-CG2 4.11Å
655H57.8Low68.4Low141 Ų14173.4 Ų73.465%0.65336%0.356SS*.  trans-64.4149.3-179.1-89.5-61.6000110.4S653 W657 V658S653-H655 PolarHBondContact O-N 3.42Å; H655-W657 HydrophobicContact CB-CB 4.39Å; H655-W657 PolarHBondContact O-N 3.36Å; H655-V658 PolarHBondContact O-N 3.17Å; H655-V658 VanDerWaalsContact O-N 3.13Å
656P57.2Low68Low88 Ų8875.8 Ų75.857%0.57137%0.373SS*.G310 helixtrans-54.6-13.4174.2-24.833000114.5V658P656-V658 PolarHBondContact O-N 3.3Å
657W50.6Low67.8Low175 Ų17579 Ų7966%0.66340%0.402SS*.G310 helixtrans-72.2-1.2177.6-62.170.1000114.2H655 L659 H660H655-W657 HydrophobicContact CB-CB 4.39Å; H655-W657 PolarHBondContact O-N 3.36Å; W657-L659 PolarHBondContact O-N 3.11Å; W657-L659 VanDerWaalsContact O-N 3.16Å; W657-H660 AromaticContact CE3-CD2 3.45Å; W657-H660 VanDerWaalsContact CE3-CD2 3.45Å; W657-H660 AromaticContact CE3-NE2 3.84Å; W657-H660 WeakPolarHBondContact O-CB 3.21Å; W657-H660 PolarHBondContact O-N 3.26Å
658V54Low67.5Low17 Ų1778.6 Ų78.610%0.10340%0.402CS..G310 helixtrans-61.3-14.2167.9167.80000112.8W649 V654 H655 P656 H660 I700 L701 H704W649-V658 HydrophobicContact CH2-CB 4.1Å; W649-V658 HydrophobicContact CH2-CG1 3.93Å; W649-V658 HydrophobicContact CZ2-CB 4.14Å; W649-V658 HydrophobicContact CZ2-CG1 4.47Å; W649-V658 HydrophobicContact CZ2-CG2 4.48Å; V654-V658 HydrophobicContact CG1-CB 4.11Å; V654-V658 HydrophobicContact CG1-CG2 3.18Å; H655-V658 PolarHBondContact O-N 3.17Å; H655-V658 VanDerWaalsContact O-N 3.13Å; P656-V658 PolarHBondContact O-N 3.3Å; V658-H660 PolarHBondContact O-N 3Å; V658-I700 WeakPolarHBondContact O-CG2 3.42Å; V658-L701 HydrophobicContact CG1-CD2 3.57Å; V658-L701 HydrophobicContact CG1-CG 4.35Å; V658-H704 PolarHBondContact O-NE2 2.65Å; V658-H704 VanDerWaalsContact O-NE2 3.14Å
659L56.8Low67.5Low63 Ų6378.6 Ų78.633%0.3340%0.402SS..G310 helixtrans-74.9-11.9169.7-61.2173.5000113.1W657 I700 M729W657-L659 PolarHBondContact O-N 3.11Å; W657-L659 VanDerWaalsContact O-N 3.16Å; L659-I700 HydrophobicContact CD2-CD1 3.97Å; L659-M729 HydrophobicContact CB-CE 3.98Å; L659-M729 HydrophobicContact CD2-CE 4.09Å
660H61.7Low67.7Low89 Ų8982.2 Ų82.241%0.41242%0.419SS..  trans-92.3105.2175.9-70.8-66000111.7W657 V658 N662 H704W657-H660 AromaticContact CE3-CD2 3.45Å; W657-H660 VanDerWaalsContact CE3-CD2 3.45Å; W657-H660 AromaticContact CE3-NE2 3.84Å; W657-H660 WeakPolarHBondContact O-CB 3.21Å; W657-H660 PolarHBondContact O-N 3.26Å; V658-H660 PolarHBondContact O-N 3Å; H660-N662 PolarHBondContact O-N 3.44Å; H660-H704 PolarHBondContact O-CE1 2.97Å; H660-H704 VanDerWaalsContact O-CE1 3.25Å
661L61.8Low67.9Low12 Ų1281.3 Ų81.36%0.06342%0.419CS..THydrogen-bonded Turntrans-64.4-3.3-173.2-71.5155.5000116.5I700 V703 H704 L730 D733 L734L661-I700 HydrophobicContact CD2-CG2 4.18Å; L661-V703 HydrophobicContact CD2-CB 4.09Å; L661-V703 HydrophobicContact CD2-CG1 3.78Å; L661-H704 VanDerWaalsContact CA-CE1 3.42Å; L661-H704 WeakPolarHBondContact CA-CE1 3.12Å; L661-L730 HydrophobicContact CD1-CB 4.36Å; L661-L730 HydrophobicContact CD1-CD2 3.51Å; L661-L730 HydrophobicContact CD1-CG 3.96Å; L661-L730 HydrophobicContact CD2-CD2 3.64Å; L661-L730 HydrophobicContact CG-CD2 4.2Å; L661-D733 HydrophobicContact CB-CB 4.42Å; L661-D733 HydrophobicContact CD1-CB 4.01Å; L661-L734 HydrophobicContact CB-CD2 3.57Å; L661-L734 HydrophobicContact CB-CG 3.94Å; L661-L734 HydrophobicContact CD1-CG 4.24Å
662N58.2Low68.3Low101 Ų10176.2 Ų76.254%0.5440%0.398SS..THydrogen-bonded Turntrans-85.5-9.1-173.5-69.2-32.3000114.6H660 D733H660-N662 PolarHBondContact O-N 3.44Å; N662-D733 PolarHBondContact ND2-O 3.11Å; N662-D733 VanDerWaalsContact ND2-O 3.13Å; N662-D733 PolarHBondContact OD1-O 3.02Å
663N61.3Low68.9Low110 Ų11073.6 Ų73.659%0.58839%0.385SS*.SBendtrans-99.3144.7179.2-71.5-24.4000112.4H704N663-H704 PolarHBondContact O-CE1 3.02Å; N663-H704 PolarHBondContact O-ND1 3.28Å
664R64.6Low70.1Confident235 Ų23573 Ų7389%0.88737%0.372SS*.PPolyproline II helixtrans-64.8137.5170.1-88.1-170.5178.2-148.71.5109.8S666R664-S666 PolarHBondContact O-N 3.47Å
665G68.1Low71.5Confident28 Ų2872.9 Ų72.929%0.28937%0.371SS..PPolyproline II helixtrans-56.6131.617300000111.5H704G665-H704 PolarHBondContact N-O 3.22Å
666S78.5Confident73.1Confident55 Ų5566.2 Ų66.239%0.38534%0.34SS..PPolyproline II helixtrans-78.2166.4171.9690000110.8R664 A668 D669 F670R664-S666 PolarHBondContact O-N 3.47Å; S666-A668 PolarHBondContact O-N 2.84Å; S666-A668 WeakPolarHBondContact OG-CB 3.36Å; S666-A668 PolarHBondContact OG-N 3.25Å; S666-D669 WeakPolarHBondContact CB-OD2 3.15Å; S666-D669 PolarHBondContact N-OD2 2.89Å; S666-D669 PolarHBondContact O-N 2.9Å; S666-D669 VanDerWaalsContact O-N 3.15Å; S666-D669 PolarHBondContact OG-N 2.99Å; S666-D669 VanDerWaalsContact OG-N 3.16Å; S666-D669 PolarHBondContact OG-OD1 3.39Å; S666-D669 PolarHBondContact OG-OD2 3.27Å; S666-F670 PolarHBondContact O-N 2.84Å
667A80.8Confident74.8Confident83 Ų8363.3 Ų63.369%0.68632%0.321SS*.Hα-helixtrans-58.9-33.7171.400000111.6F670 E671A667-F670 WeakPolarHBondContact O-CB 3.49Å; A667-F670 PolarHBondContact O-N 3.46Å; A667-E671 WeakPolarHBondContact O-CG 3.33Å; A667-E671 PolarHBondContact O-N 3.44Å; A667-E671 VanDerWaalsContact O-N 3.12Å
668A80.9Confident76.8Confident21 Ų2158.1 Ų58.117%0.17430%0.301CS..Hα-helixtrans-61.5-44173.700000112.6H652 V654 S666 F670 E671 V672H652-A668 HydrophobicContact CB-CB 3.72Å; V654-A668 HydrophobicContact CG2-CB 4.37Å; S666-A668 PolarHBondContact O-N 2.84Å; S666-A668 WeakPolarHBondContact OG-CB 3.36Å; S666-A668 PolarHBondContact OG-N 3.25Å; A668-F670 PolarHBondContact O-N 2.92Å; A668-E671 PolarHBondContact O-N 2.94Å; A668-V672 WeakPolarHBondContact O-CG2 3.42Å; A668-V672 PolarHBondContact O-N 3.47Å
669D82.3Confident78.6Confident14 Ų1457.3 Ų57.38%0.07530%0.296CS..Hα-helixtrans-64.7-33.1178.4-55.3-39.8000111.4S666 F673 L701 C705S666-D669 WeakPolarHBondContact CB-OD2 3.15Å; S666-D669 PolarHBondContact N-OD2 2.89Å; S666-D669 PolarHBondContact O-N 2.9Å; S666-D669 VanDerWaalsContact O-N 3.15Å; S666-D669 PolarHBondContact OG-N 2.99Å; S666-D669 VanDerWaalsContact OG-N 3.16Å; S666-D669 PolarHBondContact OG-OD1 3.39Å; S666-D669 PolarHBondContact OG-OD2 3.27Å; D669-F673 VanDerWaalsContact O-CB 3.26Å; D669-F673 WeakPolarHBondContact O-CB 3.27Å; D669-F673 PolarHBondContact O-N 3.32Å; D669-L701 HydrophobicContact CB-CD2 4.1Å; D669-C705 PolarHBondContact O-SG 3.08Å; D669-C705 VanDerWaalsContact O-SG 3.39Å
670F85.3Confident80.4Confident96 Ų9654.6 Ų54.642%0.42128%0.282SS..Hα-helixtrans-67.9-42.1175.7-169.6-90.1000112.1S666 A667 A668 F673 H674 C705S666-F670 PolarHBondContact O-N 2.84Å; A667-F670 WeakPolarHBondContact O-CB 3.49Å; A667-F670 PolarHBondContact O-N 3.46Å; A668-F670 PolarHBondContact O-N 2.92Å; F670-F673 PolarHBondContact O-N 3.28Å; F670-H674 WeakPolarHBondContact O-CB 3.23Å; F670-H674 PolarHBondContact O-N 3.22Å; F670-C705 HydrophobicContact CD2-CB 4.07Å
671E85.6Confident81.8Confident101 Ų10153.5 Ų53.547%0.47228%0.279SS..Hα-helixtrans-63.6-43.2175.1-66.8-56.3142.200111.7A667 A668 F673 H674 L675A667-E671 WeakPolarHBondContact O-CG 3.33Å; A667-E671 PolarHBondContact O-N 3.44Å; A667-E671 VanDerWaalsContact O-N 3.12Å; A668-E671 PolarHBondContact O-N 2.94Å; E671-F673 PolarHBondContact O-N 3.17Å; E671-H674 PolarHBondContact O-N 3.35Å; E671-L675 PolarHBondContact O-N 3.41Å
672V87.9Confident83.3Confident3 Ų352.9 Ų52.92%0.01828%0.276CS..Hα-helixtrans-61.1-46.8175.2-179.40000110.3I648 W649 V654 A668 H674 L675 M676 L701I648-V672 HydrophobicContact CG2-CB 4.29Å; I648-V672 HydrophobicContact CG2-CG2 3.6Å; W649-V672 HydrophobicContact CE3-CG1 4.09Å; W649-V672 HydrophobicContact CZ3-CG1 4.08Å; V654-V672 HydrophobicContact CG2-CG2 4.11Å; A668-V672 WeakPolarHBondContact O-CG2 3.42Å; A668-V672 PolarHBondContact O-N 3.47Å; V672-H674 VanDerWaalsContact C-N 3.31Å; V672-H674 PolarHBondContact O-N 2.89Å; V672-L675 PolarHBondContact O-N 3.16Å; V672-M676 HydrophobicContact CG1-CG 4.45Å; V672-M676 HydrophobicContact CG1-SD 4.28Å; V672-M676 WeakPolarHBondContact O-CG 3.38Å; V672-M676 PolarHBondContact O-N 3.15Å; V672-L701 HydrophobicContact CB-CD1 4.37Å; V672-L701 HydrophobicContact CG1-CD1 3.68Å
673F89.1Confident84.9Confident6 Ų648.1 Ų48.13%0.02625%0.25CS..Hα-helixtrans-59-42.8176.7176.4-97.2000112D669 F670 E671 M676 T677 H698 L701 G702 C705 L706 Y714 L720D669-F673 VanDerWaalsContact O-CB 3.26Å; D669-F673 WeakPolarHBondContact O-CB 3.27Å; D669-F673 PolarHBondContact O-N 3.32Å; F670-F673 PolarHBondContact O-N 3.28Å; E671-F673 PolarHBondContact O-N 3.17Å; F673-M676 PolarHBondContact O-N 3Å; F673-T677 WeakPolarHBondContact O-CB 3.05Å; F673-T677 PolarHBondContact O-N 3.38Å; F673-T677 PolarHBondContact O-OG1 3.09Å; F673-H698 AromaticContact CD2-CD2 3.61Å; F673-H698 AromaticContact CD2-NE2 3.84Å; F673-H698 AromaticContact CE2-CD2 3.48Å; F673-H698 VanDerWaalsContact CE2-CD2 3.48Å; F673-H698 WeakPolarHBondContact CE2-CD2 3.23Å; F673-H698 AromaticContact CE2-NE2 3.38Å; F673-H698 WeakPolarHBondContact CE2-NE2 3.26Å; F673-H698 AromaticContact CZ-NE2 3.85Å; F673-L701 HydrophobicContact CB-CB 4.28Å; F673-L701 HydrophobicContact CD2-CB 3.98Å; F673-G702 VanDerWaalsContact CE2-CA 3.4Å; F673-C705 HydrophobicContact CB-CB 4.46Å; F673-C705 HydrophobicContact CG-CB 4.43Å; F673-L706 HydrophobicContact CE1-CD1 4.04Å; F673-L706 HydrophobicContact CE1-CD2 4.1Å; F673-L706 HydrophobicContact CE1-CG 4.21Å; F673-L706 HydrophobicContact CE2-CD1 4.41Å; F673-L706 HydrophobicContact CZ-CD1 3.65Å; F673-L706 HydrophobicContact CZ-CG 4.19Å; F673-Y714 HydrophobicContact CE1-CE1 4.44Å; F673-Y714 HydrophobicContact CZ-CD1 4.32Å; F673-Y714 HydrophobicContact CZ-CE1 4.27Å; F673-L720 HydrophobicContact CE2-CD2 3.95Å; F673-L720 HydrophobicContact CZ-CD2 4.42Å
674H89.1Confident86.3Confident83 Ų8346.7 Ų46.738%0.38424%0.243SC..Hα-helixtrans-64-46.8178.8-171.563.1000111.2F670 E671 V672 M676 T677 R678F670-H674 WeakPolarHBondContact O-CB 3.23Å; F670-H674 PolarHBondContact O-N 3.22Å; E671-H674 PolarHBondContact O-N 3.35Å; V672-H674 VanDerWaalsContact C-N 3.31Å; V672-H674 PolarHBondContact O-N 2.89Å; H674-M676 PolarHBondContact O-N 3.47Å; H674-T677 WeakPolarHBondContact O-CB 3.35Å; H674-T677 PolarHBondContact O-N 3.11Å; H674-R678 WeakPolarHBondContact O-CG 3.35Å; H674-R678 PolarHBondContact O-N 2.85Å
675L89.6Confident87.5Confident10 Ų1039.5 Ų39.55%0.05222%0.222CC..Hα-helixtrans-60.8-48.6175.4179.768000111.6V451 I460 I648 E671 V672 T677 R678 I679V451-L675 HydrophobicContact CG2-CD1 3.5Å; V451-L675 VanDerWaalsContact CG2-CD1 3.5Å; I460-L675 HydrophobicContact CD1-CD1 4.06Å; I648-L675 HydrophobicContact CD1-CB 4.11Å; I648-L675 HydrophobicContact CD1-CD2 2.96Å; I648-L675 HydrophobicContact CD1-CG 4.01Å; I648-L675 HydrophobicContact CG1-CD2 4.32Å; E671-L675 PolarHBondContact O-N 3.41Å; V672-L675 PolarHBondContact O-N 3.16Å; L675-T677 PolarHBondContact O-N 3.32Å; L675-R678 CarbonylContact O-C 3.35Å; L675-R678 WeakPolarHBondContact O-CA 3.24Å; L675-R678 WeakPolarHBondContact O-CB 3.49Å; L675-R678 PolarHBondContact O-N 3.46Å; L675-I679 HydrophobicContact CD1-CD1 4.36Å; L675-I679 HydrophobicContact CD1-CG1 4.18Å; L675-I679 HydrophobicContact CD2-CD1 3.82Å; L675-I679 HydrophobicContact CG-CD1 3.8Å; L675-I679 HydrophobicContact CG-CG1 4.05Å; L675-I679 PolarHBondContact O-N 2.59Å
676M91.8Very high88.5Confident0 Ų039.7 Ų39.70%022%0.216CC..Hα-helixtrans-54.9-39.2179.4-75.3-171.97900111.1L645 V672 F673 H674 I679 L680 F694 L697 H698 L701L645-M676 HydrophobicContact CD2-CE 4.34Å; L645-M676 HydrophobicContact CD2-CG 3.47Å; L645-M676 VanDerWaalsContact CD2-CG 3.47Å; L645-M676 HydrophobicContact CD2-SD 4.22Å; V672-M676 HydrophobicContact CG1-CG 4.45Å; V672-M676 HydrophobicContact CG1-SD 4.28Å; V672-M676 WeakPolarHBondContact O-CG 3.38Å; V672-M676 PolarHBondContact O-N 3.15Å; F673-M676 PolarHBondContact O-N 3Å; H674-M676 PolarHBondContact O-N 3.47Å; M676-I679 PolarHBondContact O-N 2.75Å; M676-L680 VanDerWaalsContact O-CB 3.29Å; M676-L680 WeakPolarHBondContact O-CB 3.32Å; M676-L680 PolarHBondContact O-N 3.28Å; M676-F694 HydrophobicContact CB-CZ 3.98Å; M676-F694 HydrophobicContact CE-CD1 4.1Å; M676-F694 HydrophobicContact CE-CD2 3.85Å; M676-F694 HydrophobicContact CE-CE1 3.97Å; M676-F694 HydrophobicContact CE-CE2 3.74Å; M676-F694 HydrophobicContact CE-CG 4.04Å; M676-F694 HydrophobicContact CE-CZ 3.8Å; M676-F694 WeakPolarHBondContact CE-O 3.39Å; M676-F694 HydrophobicContact CG-CE2 4.41Å; M676-F694 HydrophobicContact CG-CZ 4.27Å; M676-F694 WeakPolarHBondContact O-CZ 3.41Å; M676-L697 HydrophobicContact CE-CB 4.11Å; M676-L697 HydrophobicContact CE-CD2 3.82Å; M676-L697 HydrophobicContact CE-CG 3.96Å; M676-L697 HydrophobicContact SD-CD2 3.83Å; M676-L697 HydrophobicContact SD-CG 4.01Å; M676-H698 HydrophobicContact CE-CB 3.83Å; M676-L701 HydrophobicContact SD-CD1 3.49Å; M676-L701 WeakPolarHBondContact SD-CD1 3.26Å
677T92.2Very high89.1Confident28 Ų2837.4 Ų37.417%0.17220%0.2CC..Hα-helixtrans-64.3-40.2174.9-52.20000112F673 H674 L675 L680 D681 H698 V719F673-T677 WeakPolarHBondContact O-CB 3.05Å; F673-T677 PolarHBondContact O-N 3.38Å; F673-T677 PolarHBondContact O-OG1 3.09Å; H674-T677 WeakPolarHBondContact O-CB 3.35Å; H674-T677 PolarHBondContact O-N 3.11Å; L675-T677 PolarHBondContact O-N 3.32Å; T677-L680 PolarHBondContact O-N 3.03Å; T677-D681 PolarHBondContact O-N 3.46Å; T677-H698 PolarHBondContact OG1-NE2 3.15Å; T677-V719 HydrophobicContact CG2-CG1 4.22Å
678R92.7Very high89.6Confident65 Ų6533.9 Ų33.925%0.24517%0.17CC..Hα-helixtrans-67.6-40.9175.2-66.4-64.4-58.9141.55.6112.7V451 D458 I460 H674 L675 L680 D681 A682V451-R678 HydrophobicContact CG1-CB 3.76Å; V451-R678 HydrophobicContact CG1-CG 3.74Å; D458-R678 IonicContact OD2-NH2 3.49Å; I460-R678 HydrophobicContact CD1-CB 3.92Å; H674-R678 WeakPolarHBondContact O-CG 3.35Å; H674-R678 PolarHBondContact O-N 2.85Å; L675-R678 CarbonylContact O-C 3.35Å; L675-R678 WeakPolarHBondContact O-CA 3.24Å; L675-R678 WeakPolarHBondContact O-CB 3.49Å; L675-R678 PolarHBondContact O-N 3.46Å; R678-L680 VanDerWaalsContact C-N 3.34Å; R678-D681 IonicContact NH1-OD2 3.37Å; R678-D681 PolarHBondContact NH1-OD2 3.25Å; R678-D681 PolarHBondContact O-N 3.22Å; R678-A682 WeakPolarHBondContact O-CB 3.4Å; R678-A682 PolarHBondContact O-N 3.49Å
679I93.2Very high90.2Very high0 Ų032.9 Ų32.90%016%0.161CC..Hα-helixtrans-62.2-43.6173.8-70.1174.3000110.6I460 I641 M644 L645 L675 M676 A682 S683 L690 F694I460-I679 HydrophobicContact CD1-CG1 4.08Å; I460-I679 HydrophobicContact CG2-CG1 4.47Å; I641-I679 HydrophobicContact CG2-CG2 3.86Å; M644-I679 HydrophobicContact CB-CD1 4.09Å; M644-I679 HydrophobicContact SD-CD1 4.47Å; L645-I679 HydrophobicContact CD2-CD1 3.96Å; L645-I679 HydrophobicContact CG-CD1 4.43Å; L675-I679 HydrophobicContact CD1-CD1 4.36Å; L675-I679 HydrophobicContact CD1-CG1 4.18Å; L675-I679 HydrophobicContact CD2-CD1 3.82Å; L675-I679 HydrophobicContact CG-CD1 3.8Å; L675-I679 HydrophobicContact CG-CG1 4.05Å; L675-I679 PolarHBondContact O-N 2.59Å; M676-I679 PolarHBondContact O-N 2.75Å; I679-A682 PolarHBondContact O-N 3.35Å; I679-S683 VanDerWaalsContact O-CB 3.25Å; I679-S683 WeakPolarHBondContact O-CB 3.33Å; I679-S683 PolarHBondContact O-N 2.82Å; I679-S683 PolarHBondContact O-OG 2.97Å; I679-L690 HydrophobicContact CG2-CD2 4.05Å; I679-F694 HydrophobicContact CB-CZ 4.34Å; I679-F694 HydrophobicContact CG2-CE2 3.99Å; I679-F694 HydrophobicContact CG2-CZ 4.1Å
680L93.6Very high90.6Very high7 Ų732.3 Ų32.34%0.03716%0.158CC..Hα-helixtrans-60.2-47.4178175.562.1000111M676 T677 R678 S683 N684 L690 F694 V719M676-L680 VanDerWaalsContact O-CB 3.29Å; M676-L680 WeakPolarHBondContact O-CB 3.32Å; M676-L680 PolarHBondContact O-N 3.28Å; T677-L680 PolarHBondContact O-N 3.03Å; R678-L680 VanDerWaalsContact C-N 3.34Å; L680-S683 PolarHBondContact O-N 3.24Å; L680-N684 WeakPolarHBondContact CD1-ND2 3.38Å; L680-N684 VanDerWaalsContact O-CB 3.25Å; L680-N684 WeakPolarHBondContact O-CB 3.37Å; L680-N684 PolarHBondContact O-N 2.9Å; L680-N684 PolarHBondContact O-ND2 3.48Å; L680-L690 HydrophobicContact CD1-CD1 3.58Å; L680-F694 HydrophobicContact CB-CE1 4.17Å; L680-F694 HydrophobicContact CB-CZ 4.46Å; L680-V719 HydrophobicContact CD2-CG1 4.35Å; L680-V719 VanDerWaalsContact CD2-O 3.25Å; L680-V719 WeakPolarHBondContact CD2-O 3.41Å
681D92.3Very high90.8Very high65 Ų6527.8 Ų27.835%0.34814%0.138SC..Hα-helixtrans-59.3-51.9176.6-17739.3000111.6T677 R678 S683 N684 N685T677-D681 PolarHBondContact O-N 3.46Å; R678-D681 IonicContact NH1-OD2 3.37Å; R678-D681 PolarHBondContact NH1-OD2 3.25Å; R678-D681 PolarHBondContact O-N 3.22Å; D681-S683 VanDerWaalsContact C-N 3.34Å; D681-S683 PolarHBondContact O-N 3.1Å; D681-N684 PolarHBondContact O-N 3.41Å; D681-N685 VanDerWaalsContact O-CG 3.28Å; D681-N685 PolarHBondContact O-N 3.4Å; D681-N685 PolarHBondContact O-ND2 2.91Å; D681-N685 VanDerWaalsContact O-ND2 3.11Å; D681-N685 PolarHBondContact OD1-ND2 2.87Å
682A92.6Very high90.7Very high0 Ų023 Ų230%012%0.116CC..Hα-helixtrans-56.7-45.5177.100000112.5I460 Q461 R678 I679 N685 L686I460-A682 HydrophobicContact CB-CB 3.93Å; I460-A682 HydrophobicContact CG2-CB 3.73Å; Q461-A682 HydrophobicContact CG-CB 3.61Å; R678-A682 WeakPolarHBondContact O-CB 3.4Å; R678-A682 PolarHBondContact O-N 3.49Å; I679-A682 PolarHBondContact O-N 3.35Å; A682-N685 PolarHBondContact O-N 3.44Å; A682-L686 PolarHBondContact O-N 3.36Å
683S92.3Very high90.5Very high0 Ų023 Ų230%012%0.116CC..Hα-helixtrans-69.8-39.9-178.8-56.30000111.9I679 L680 D681 L686 C687 F688I679-S683 VanDerWaalsContact O-CB 3.25Å; I679-S683 WeakPolarHBondContact O-CB 3.33Å; I679-S683 PolarHBondContact O-N 2.82Å; I679-S683 PolarHBondContact O-OG 2.97Å; L680-S683 PolarHBondContact O-N 3.24Å; D681-S683 VanDerWaalsContact C-N 3.34Å; D681-S683 PolarHBondContact O-N 3.1Å; S683-L686 CarbonylContact O-C 3.59Å; S683-L686 PolarHBondContact O-N 3.21Å; S683-C687 WeakPolarHBondContact O-CA 3.41Å; S683-C687 PolarHBondContact O-N 3.45Å; S683-F688 PolarHBondContact O-N 3.39Å
684N90.2Very high90.5Very high81 Ų8122.7 Ų22.743%0.43312%0.115SC..Hα-helixtrans-63.5-41.9176.6-77.1-22.4000111.8R544 L680 D681 L686 C687R544-N684 PolarHBondContact NH2-O 2.95Å; L680-N684 WeakPolarHBondContact CD1-ND2 3.38Å; L680-N684 VanDerWaalsContact O-CB 3.25Å; L680-N684 WeakPolarHBondContact O-CB 3.37Å; L680-N684 PolarHBondContact O-N 2.9Å; L680-N684 PolarHBondContact O-ND2 3.48Å; D681-N684 PolarHBondContact O-N 3.41Å; N684-L686 VanDerWaalsContact C-N 3.3Å; N684-L686 PolarHBondContact O-N 3.3Å; N684-C687 PolarHBondContact O-N 3.47Å; N684-C687 VanDerWaalsContact O-N 3.12Å
685N89Confident90.5Very high83 Ų8319 Ų1944%0.44410%0.098SC..Hα-helixtrans-60.8-38.8177.4-72.7-31.9000112.1R544 D681 A682R544-N685 PolarHBondContact NH2-O 2.98Å; D681-N685 VanDerWaalsContact O-CG 3.28Å; D681-N685 PolarHBondContact O-N 3.4Å; D681-N685 PolarHBondContact O-ND2 2.91Å; D681-N685 VanDerWaalsContact O-ND2 3.11Å; D681-N685 PolarHBondContact OD1-ND2 2.87Å; A682-N685 PolarHBondContact O-N 3.44Å
686L89Confident90.4Very high32 Ų3218.8 Ų18.817%0.16810%0.098CC..Hα-helixtrans-86.1-9.4176.1-62.3-180000114.3Q461 I465 N540 A682 S683 N684 F688Q461-L686 HydrophobicContact CB-CD1 3.8Å; Q461-L686 HydrophobicContact CB-CG 4.41Å; Q461-L686 HydrophobicContact CG-CD1 3.82Å; Q461-L686 HydrophobicContact CG-CG 4.05Å; I465-L686 HydrophobicContact CD1-CD1 3.77Å; I465-L686 HydrophobicContact CD1-CD2 3.91Å; I465-L686 HydrophobicContact CG1-CD1 4Å; N540-L686 WeakPolarHBondContact CB-O 3.44Å; N540-L686 PolarHBondContact ND2-O 3.06Å; A682-L686 PolarHBondContact O-N 3.36Å; S683-L686 CarbonylContact O-C 3.59Å; S683-L686 PolarHBondContact O-N 3.21Å; N684-L686 VanDerWaalsContact C-N 3.3Å; N684-L686 PolarHBondContact O-N 3.3Å; L686-F688 VanDerWaalsContact C-N 3.25Å; L686-F688 HydrophobicContact CB-CB 4.45Å; L686-F688 HydrophobicContact CB-CD1 3.91Å; L686-F688 HydrophobicContact CB-CD2 3.78Å; L686-F688 HydrophobicContact CB-CE1 4.11Å; L686-F688 HydrophobicContact CB-CE2 4Å; L686-F688 HydrophobicContact CB-CG 3.75Å; L686-F688 HydrophobicContact CB-CZ 4.16Å; L686-F688 HydrophobicContact CD1-CD2 3.65Å; L686-F688 HydrophobicContact CD1-CE2 3.36Å; L686-F688 HydrophobicContact CD1-CG 4.47Å; L686-F688 HydrophobicContact CD1-CZ 3.96Å; L686-F688 HydrophobicContact CG-CD2 4.4Å; L686-F688 HydrophobicContact CG-CE2 4.32Å; L686-F688 PolarHBondContact O-N 3.44Å
687C91.4Very high90.1Very high8 Ų819.2 Ų19.25%0.05410%0.1CC..THydrogen-bonded Turntrans56.838.8-170-1670000112.6N540 R544 S683 N684N540-C687 HydrophobicContact CB-CB 3.83Å; R544-C687 VanDerWaalsContact CA-SG 3.58Å; R544-C687 HydrophobicContact CB-CB 4.28Å; S683-C687 WeakPolarHBondContact O-CA 3.41Å; S683-C687 PolarHBondContact O-N 3.45Å; N684-C687 PolarHBondContact O-N 3.47Å; N684-C687 VanDerWaalsContact O-N 3.12Å
688F92.6Very high89.9Confident9 Ų917.9 Ų17.94%0.0399%0.092CC..PPolyproline II helixtrans-87.5144.5175.7-74.7-8.9000111.5L464 I465 N540 M606 L637 S683 L686L464-F688 HydrophobicContact CB-CD2 4.48Å; L464-F688 HydrophobicContact CB-CE2 4.17Å; L464-F688 HydrophobicContact CD1-CD2 4.32Å; I465-F688 HydrophobicContact CG1-CE2 4.01Å; I465-F688 HydrophobicContact CG1-CZ 3.93Å; N540-F688 WeakPolarHBondContact ND2-CD1 3.48Å; N540-F688 WeakPolarHBondContact ND2-CE1 3.45Å; M606-F688 HydrophobicContact CE-CD1 3.95Å; M606-F688 HydrophobicContact CE-CE1 4.25Å; M606-F688 HydrophobicContact SD-CD1 4.49Å; L637-F688 HydrophobicContact CD1-CB 4.25Å; L637-F688 HydrophobicContact CD1-CD1 3.82Å; L637-F688 HydrophobicContact CD1-CD2 3.57Å; L637-F688 HydrophobicContact CD1-CE1 3.92Å; L637-F688 HydrophobicContact CD1-CE2 3.68Å; L637-F688 HydrophobicContact CD1-CG 3.64Å; L637-F688 HydrophobicContact CD1-CZ 3.86Å; L637-F688 HydrophobicContact CD2-CB 4.22Å; L637-F688 HydrophobicContact CD2-CG 4.48Å; L637-F688 HydrophobicContact CG-CD2 4.22Å; L637-F688 HydrophobicContact CG-CG 4.47Å; S683-F688 PolarHBondContact O-N 3.39Å; L686-F688 VanDerWaalsContact C-N 3.25Å; L686-F688 HydrophobicContact CB-CB 4.45Å; L686-F688 HydrophobicContact CB-CD1 3.91Å; L686-F688 HydrophobicContact CB-CD2 3.78Å; L686-F688 HydrophobicContact CB-CE1 4.11Å; L686-F688 HydrophobicContact CB-CE2 4Å; L686-F688 HydrophobicContact CB-CG 3.75Å; L686-F688 HydrophobicContact CB-CZ 4.16Å; L686-F688 HydrophobicContact CD1-CD2 3.65Å; L686-F688 HydrophobicContact CD1-CE2 3.36Å; L686-F688 HydrophobicContact CD1-CG 4.47Å; L686-F688 HydrophobicContact CD1-CZ 3.96Å; L686-F688 HydrophobicContact CG-CD2 4.4Å; L686-F688 HydrophobicContact CG-CE2 4.32Å; L686-F688 PolarHBondContact O-N 3.44Å
689P91.8Very high89.7Confident0 Ų014.8 Ų14.80%08%0.08CC..PPolyproline II helixtrans-74.6150.4178.531-37.7000110.6L602 I603 M606 L637 L638 I641L602-P689 HydrophobicContact CD2-CB 4.17Å; L602-P689 HydrophobicContact CG-CB 4.1Å; I603-P689 HydrophobicContact CB-CB 4.47Å; I603-P689 HydrophobicContact CD1-CB 4.39Å; I603-P689 HydrophobicContact CG1-CB 3.41Å; I603-P689 VanDerWaalsContact CG1-CB 3.41Å; I603-P689 HydrophobicContact CG1-CG 3.88Å; M606-P689 WeakPolarHBondContact SD-CD 3.46Å; M606-P689 HydrophobicContact SD-CG 4.11Å; L637-P689 HydrophobicContact CD2-CG 4.09Å; L638-P689 HydrophobicContact CD2-CB 4.1Å; L638-P689 HydrophobicContact CD2-CG 3.94Å; L638-P689 WeakPolarHBondContact CD2-O 3.47Å; L638-P689 HydrophobicContact CG-CG 4.39Å; I641-P689 WeakPolarHBondContact CD1-O 3.28Å
690L91.6Very high89.3Confident1 Ų114.9 Ų14.91%0.0058%0.08CC..PPolyproline II helixtrans-100.6153.7170.8-63.5163.7000109I641 I679 L680 F694I641-L690 HydrophobicContact CD1-CD2 4.24Å; I641-L690 HydrophobicContact CG2-CD2 4.23Å; I679-L690 HydrophobicContact CG2-CD2 4.05Å; L680-L690 HydrophobicContact CD1-CD1 3.58Å; L690-F694 HydrophobicContact CB-CB 3.99Å; L690-F694 HydrophobicContact CB-CD1 4.44Å; L690-F694 HydrophobicContact CB-CD2 4.48Å; L690-F694 HydrophobicContact CB-CG 4.07Å; L690-F694 HydrophobicContact CD1-CD1 3.73Å; L690-F694 HydrophobicContact CD1-CE1 3.99Å; L690-F694 HydrophobicContact CD1-CG 4.2Å; L690-F694 HydrophobicContact CD2-CD1 4.4Å; L690-F694 HydrophobicContact CD2-CD2 4.16Å; L690-F694 HydrophobicContact CD2-CE1 4.37Å; L690-F694 HydrophobicContact CD2-CE2 4.12Å; L690-F694 HydrophobicContact CD2-CG 4.3Å; L690-F694 HydrophobicContact CD2-CZ 4.22Å; L690-F694 HydrophobicContact CG-CD1 4.42Å; L690-F694 HydrophobicContact CG-CG 4.42Å
691P88.8Confident89Confident1 Ų114.6 Ų14.61%0.0068%0.079CC..PPolyproline II helixtrans-52.7137.3169.1-25.334.5000110.4L638 I641 W642 G693 F694L638-P691 HydrophobicContact CD2-CG 4.47Å; I641-P691 HydrophobicContact CB-CG 4.38Å; I641-P691 HydrophobicContact CG2-CG 4.03Å; W642-P691 HydrophobicContact CE3-CB 4.09Å; W642-P691 HydrophobicContact CE3-CG 4.35Å; W642-P691 HydrophobicContact CZ3-CB 4.5Å; P691-G693 PolarHBondContact O-N 3.3Å; P691-F694 WeakPolarHBondContact O-CB 3.43Å; P691-F694 PolarHBondContact O-N 3.09Å; P691-F694 VanDerWaalsContact O-N 3.11Å
692P85.2Confident88.8Confident0 Ų011.5 Ų11.50%06%0.062CC..THydrogen-bonded Turntrans-47.5142.8166.7-24.933000109.7I576 L591 L592 E594 D596 F694I576-P692 HydrophobicContact CD1-CG 4.09Å; L591-P692 CarbonylContact C-O 3.59Å; L591-P692 WeakPolarHBondContact CB-O 2.88Å; L591-P692 CarbonylContact O-C 3.59Å; L592-P692 HydrophobicContact CD2-CG 4.41Å; E594-P692 WeakPolarHBondContact O-CB 3.46Å; D596-P692 HydrophobicContact CB-CB 4.1Å; P692-F694 VanDerWaalsContact C-N 3.3Å; P692-F694 PolarHBondContact O-N 3.09Å
693G83.4Confident88.4Confident3 Ų312.6 Ų12.63%0.0317%0.069CC..THydrogen-bonded Turntrans83.5-11.3-176.900000116.3L591 E594 P691 H695 S696 L697L591-G693 WeakPolarHBondContact CD2-O 3.42Å; L591-G693 WeakPolarHBondContact O-CA 3.2Å; E594-G693 WeakPolarHBondContact OE2-CA 3.19Å; P691-G693 PolarHBondContact O-N 3.3Å; G693-H695 PolarHBondContact O-N 3.41Å; G693-S696 PolarHBondContact O-N 3.2Å; G693-L697 PolarHBondContact O-N 3.06Å; G693-L697 VanDerWaalsContact O-N 3.07Å
694F89Confident87.9Confident0 Ų013.7 Ų13.70%07%0.074CC..Hα-helixtrans-55.5-50.1176.8-176.7-79.9000112.4I641 L645 M676 I679 L680 L690 P691 P692 S696 L697 H698I641-F694 HydrophobicContact CG2-CE2 4.46Å; L645-F694 HydrophobicContact CD1-CD2 3.71Å; L645-F694 HydrophobicContact CD1-CE2 3.84Å; L645-F694 HydrophobicContact CD2-CE2 4.07Å; L645-F694 HydrophobicContact CG-CE2 4.46Å; M676-F694 HydrophobicContact CB-CZ 3.98Å; M676-F694 HydrophobicContact CE-CD1 4.1Å; M676-F694 HydrophobicContact CE-CD2 3.85Å; M676-F694 HydrophobicContact CE-CE1 3.97Å; M676-F694 HydrophobicContact CE-CE2 3.74Å; M676-F694 HydrophobicContact CE-CG 4.04Å; M676-F694 HydrophobicContact CE-CZ 3.8Å; M676-F694 WeakPolarHBondContact CE-O 3.39Å; M676-F694 HydrophobicContact CG-CE2 4.41Å; M676-F694 HydrophobicContact CG-CZ 4.27Å; M676-F694 WeakPolarHBondContact O-CZ 3.41Å; I679-F694 HydrophobicContact CB-CZ 4.34Å; I679-F694 HydrophobicContact CG2-CE2 3.99Å; I679-F694 HydrophobicContact CG2-CZ 4.1Å; L680-F694 HydrophobicContact CB-CE1 4.17Å; L680-F694 HydrophobicContact CB-CZ 4.46Å; L690-F694 HydrophobicContact CB-CB 3.99Å; L690-F694 HydrophobicContact CB-CD1 4.44Å; L690-F694 HydrophobicContact CB-CD2 4.48Å; L690-F694 HydrophobicContact CB-CG 4.07Å; L690-F694 HydrophobicContact CD1-CD1 3.73Å; L690-F694 HydrophobicContact CD1-CE1 3.99Å; L690-F694 HydrophobicContact CD1-CG 4.2Å; L690-F694 HydrophobicContact CD2-CD1 4.4Å; L690-F694 HydrophobicContact CD2-CD2 4.16Å; L690-F694 HydrophobicContact CD2-CE1 4.37Å; L690-F694 HydrophobicContact CD2-CE2 4.12Å; L690-F694 HydrophobicContact CD2-CG 4.3Å; L690-F694 HydrophobicContact CD2-CZ 4.22Å; L690-F694 HydrophobicContact CG-CD1 4.42Å; L690-F694 HydrophobicContact CG-CG 4.42Å; P691-F694 WeakPolarHBondContact O-CB 3.43Å; P691-F694 PolarHBondContact O-N 3.09Å; P691-F694 VanDerWaalsContact O-N 3.11Å; P692-F694 VanDerWaalsContact C-N 3.3Å; P692-F694 PolarHBondContact O-N 3.09Å; F694-S696 VanDerWaalsContact C-N 3.32Å; F694-S696 PolarHBondContact O-N 2.86Å; F694-L697 PolarHBondContact O-N 3.2Å; F694-H698 HydrophobicContact CE1-CB 4.41Å; F694-H698 WeakPolarHBondContact O-CB 3.43Å; F694-H698 PolarHBondContact O-N 3.32Å
695H88.4Confident87.6Confident7 Ų710.9 Ų10.93%0.0326%0.061CC..Hα-helixtrans-64.1-38-177.5-70.5-60.6000112.4D596 Q599 G693 H698 M699 L721 T723D596-H695 IonicContact OD2-CD2 2.89Å; Q599-H695 PolarHBondContact NE2-NE2 2.84Å; G693-H695 PolarHBondContact O-N 3.41Å; H695-H698 PolarHBondContact O-N 2.93Å; H695-M699 WeakPolarHBondContact O-CB 3.4Å; H695-M699 PolarHBondContact O-N 2.88Å; H695-L721 HydrophobicContact CB-CB 4.3Å; H695-T723 HydrophobicContact CB-CG2 3.82Å
696S86.5Confident87.5Confident5 Ų58 Ų84%0.0355%0.045CC..Hα-helixtrans-65.1-46.4177.2-60.70000111.7E594 G693 F694 H698 M699 I700 T723E594-S696 PolarHBondContact OE1-OG 3.08Å; E594-S696 WeakPolarHBondContact OE2-CB 3.18Å; E594-S696 PolarHBondContact OE2-OG 2.96Å; G693-S696 PolarHBondContact O-N 3.2Å; F694-S696 VanDerWaalsContact C-N 3.32Å; F694-S696 PolarHBondContact O-N 2.86Å; S696-H698 VanDerWaalsContact C-N 3.34Å; S696-H698 PolarHBondContact O-N 2.87Å; S696-M699 PolarHBondContact O-N 3.29Å; S696-I700 VanDerWaalsContact O-CG1 3.29Å; S696-I700 WeakPolarHBondContact O-CG1 3.41Å; S696-I700 PolarHBondContact O-N 3.22Å; S696-T723 WeakPolarHBondContact OG-CB 3.05Å; S696-T723 PolarHBondContact OG-OG1 3.05Å
697L85.7Confident87.5Confident8 Ų810.5 Ų10.54%0.0426%0.063CC..Hα-helixtrans-61.5-44175.2176.865.1000111.3I589 L591 W649 M676 G693 F694 M699 I700 L701I589-L697 HydrophobicContact CG2-CD2 4.18Å; L591-L697 HydrophobicContact CD2-CB 3.59Å; L591-L697 HydrophobicContact CD2-CD2 3.6Å; L591-L697 HydrophobicContact CD2-CG 4.17Å; W649-L697 HydrophobicContact CE3-CD2 4.5Å; W649-L697 HydrophobicContact CH2-CD1 3.82Å; W649-L697 HydrophobicContact CH2-CD2 4.41Å; W649-L697 HydrophobicContact CZ3-CD1 3.95Å; W649-L697 HydrophobicContact CZ3-CD2 3.78Å; W649-L697 HydrophobicContact CZ3-CG 4.4Å; M676-L697 HydrophobicContact CE-CB 4.11Å; M676-L697 HydrophobicContact CE-CD2 3.82Å; M676-L697 HydrophobicContact CE-CG 3.96Å; M676-L697 HydrophobicContact SD-CD2 3.83Å; M676-L697 HydrophobicContact SD-CG 4.01Å; G693-L697 PolarHBondContact O-N 3.06Å; G693-L697 VanDerWaalsContact O-N 3.07Å; F694-L697 PolarHBondContact O-N 3.2Å; L697-M699 VanDerWaalsContact C-N 3.31Å; L697-M699 PolarHBondContact O-N 2.89Å; L697-I700 PolarHBondContact O-N 3.21Å; L697-L701 HydrophobicContact CD1-CD1 4.18Å; L697-L701 HydrophobicContact CD1-CG 4.27Å; L697-L701 HydrophobicContact CG-CD1 4.01Å; L697-L701 WeakPolarHBondContact O-CB 3.16Å; L697-L701 WeakPolarHBondContact O-CG 3.1Å; L697-L701 PolarHBondContact O-N 2.97Å
698H89.1Confident87.3Confident1 Ų113.3 Ų13.31%0.0058%0.077CC..Hα-helixtrans-61.6-40179.2-171.2-152000111.8F673 M676 T677 F694 H695 S696 G702 L720F673-H698 AromaticContact CD2-CD2 3.61Å; F673-H698 AromaticContact CD2-NE2 3.84Å; F673-H698 AromaticContact CE2-CD2 3.48Å; F673-H698 VanDerWaalsContact CE2-CD2 3.48Å; F673-H698 WeakPolarHBondContact CE2-CD2 3.23Å; F673-H698 AromaticContact CE2-NE2 3.38Å; F673-H698 WeakPolarHBondContact CE2-NE2 3.26Å; F673-H698 AromaticContact CZ-NE2 3.85Å; M676-H698 HydrophobicContact CE-CB 3.83Å; T677-H698 PolarHBondContact OG1-NE2 3.15Å; F694-H698 HydrophobicContact CE1-CB 4.41Å; F694-H698 WeakPolarHBondContact O-CB 3.43Å; F694-H698 PolarHBondContact O-N 3.32Å; H695-H698 PolarHBondContact O-N 2.93Å; S696-H698 VanDerWaalsContact C-N 3.34Å; S696-H698 PolarHBondContact O-N 2.87Å; H698-G702 PolarHBondContact O-N 3.15Å; H698-L720 HydrophobicContact CB-CD2 4.46Å
699M88.2Confident87.1Confident0 Ų021.4 Ų21.40%011%0.109CC..Hα-helixtrans-64.1-46.4173.9-114.8-59.6-62.700112.5H695 S696 L697 G702 V703 L711 I715 L720 L721 L722 A726 L730H695-M699 WeakPolarHBondContact O-CB 3.4Å; H695-M699 PolarHBondContact O-N 2.88Å; S696-M699 PolarHBondContact O-N 3.29Å; L697-M699 VanDerWaalsContact C-N 3.31Å; L697-M699 PolarHBondContact O-N 2.89Å; M699-G702 PolarHBondContact O-N 3.01Å; M699-V703 HydrophobicContact CE-CG2 3.79Å; M699-V703 WeakPolarHBondContact O-CG2 3.36Å; M699-V703 PolarHBondContact O-N 2.91Å; M699-L711 HydrophobicContact SD-CD1 4.44Å; M699-I715 HydrophobicContact SD-CD1 4.16Å; M699-I715 HydrophobicContact SD-CG1 4.19Å; M699-L720 HydrophobicContact CG-CB 4.15Å; M699-L720 HydrophobicContact SD-CB 3.88Å; M699-L720 HydrophobicContact SD-CD1 4.24Å; M699-L721 WeakPolarHBondContact CG-O 3.18Å; M699-L722 HydrophobicContact CE-CD2 3.86Å; M699-L722 HydrophobicContact SD-CD2 4.07Å; M699-A726 HydrophobicContact CB-CB 4.11Å; M699-L730 HydrophobicContact CE-CD1 3.54Å
700I85.8Confident87Confident2 Ų224.7 Ų24.71%0.0113%0.126CC..Hα-helixtrans-59.9-49.9178.6-69.2165000109.8V658 L659 L661 S696 L697 G702 V703 H704 M729V658-I700 WeakPolarHBondContact O-CG2 3.42Å; L659-I700 HydrophobicContact CD2-CD1 3.97Å; L661-I700 HydrophobicContact CD2-CG2 4.18Å; S696-I700 VanDerWaalsContact O-CG1 3.29Å; S696-I700 WeakPolarHBondContact O-CG1 3.41Å; S696-I700 PolarHBondContact O-N 3.22Å; L697-I700 PolarHBondContact O-N 3.21Å; I700-G702 VanDerWaalsContact C-N 3.3Å; I700-G702 PolarHBondContact O-N 3.44Å; I700-V703 WeakPolarHBondContact O-CB 3.25Å; I700-V703 PolarHBondContact O-N 3.46Å; I700-V703 VanDerWaalsContact O-N 3.11Å; I700-H704 PolarHBondContact O-CD2 3.45Å; I700-H704 PolarHBondContact O-N 3.43Å; I700-H704 VanDerWaalsContact O-N 3.12Å; I700-M729 HydrophobicContact CD1-CE 3.91Å; I700-M729 HydrophobicContact CD1-SD 3.85Å
701L85.4Confident86.9Confident0 Ų024.8 Ų24.80%013%0.127CC..Hα-helixtrans-59.9-39.4174.9-75.2170.6000112.2W649 V658 D669 V672 F673 M676 L697 V703 H704 C705W649-L701 HydrophobicContact CZ3-CD1 4.45Å; V658-L701 HydrophobicContact CG1-CD2 3.57Å; V658-L701 HydrophobicContact CG1-CG 4.35Å; D669-L701 HydrophobicContact CB-CD2 4.1Å; V672-L701 HydrophobicContact CB-CD1 4.37Å; V672-L701 HydrophobicContact CG1-CD1 3.68Å; F673-L701 HydrophobicContact CB-CB 4.28Å; F673-L701 HydrophobicContact CD2-CB 3.98Å; M676-L701 HydrophobicContact SD-CD1 3.49Å; M676-L701 WeakPolarHBondContact SD-CD1 3.26Å; L697-L701 HydrophobicContact CD1-CD1 4.18Å; L697-L701 HydrophobicContact CD1-CG 4.27Å; L697-L701 HydrophobicContact CG-CD1 4.01Å; L697-L701 WeakPolarHBondContact O-CB 3.16Å; L697-L701 WeakPolarHBondContact O-CG 3.1Å; L697-L701 PolarHBondContact O-N 2.97Å; L701-V703 VanDerWaalsContact C-N 3.3Å; L701-V703 PolarHBondContact O-N 2.96Å; L701-H704 PolarHBondContact O-N 3.13Å; L701-H704 VanDerWaalsContact O-N 3.16Å; L701-C705 VanDerWaalsContact O-CB 3.23Å; L701-C705 WeakPolarHBondContact O-CB 3.47Å; L701-C705 PolarHBondContact O-N 3.25Å; L701-C705 PolarHBondContact O-SG 2.98Å
702G88.1Confident87Confident0 Ų025.8 Ų25.80%013%0.132CC..Hα-helixtrans-57.7-42.1174.200000112.5F673 H698 M699 I700 H704 C705 L706F673-G702 VanDerWaalsContact CE2-CA 3.4Å; H698-G702 PolarHBondContact O-N 3.15Å; M699-G702 PolarHBondContact O-N 3.01Å; I700-G702 VanDerWaalsContact C-N 3.3Å; I700-G702 PolarHBondContact O-N 3.44Å; G702-H704 VanDerWaalsContact C-N 3.34Å; G702-C705 PolarHBondContact O-N 2.68Å; G702-L706 VanDerWaalsContact O-CB 3.25Å; G702-L706 WeakPolarHBondContact O-CB 3.34Å; G702-L706 PolarHBondContact O-N 3.32Å
703V85.6Confident87.2Confident23 Ų2330.1 Ų30.114%0.13915%0.152CC..Hα-helixtrans-65.8-36.3176.71740000111.8L661 M699 I700 L701 L711 L730 L743L661-V703 HydrophobicContact CD2-CB 4.09Å; L661-V703 HydrophobicContact CD2-CG1 3.78Å; M699-V703 HydrophobicContact CE-CG2 3.79Å; M699-V703 WeakPolarHBondContact O-CG2 3.36Å; M699-V703 PolarHBondContact O-N 2.91Å; I700-V703 WeakPolarHBondContact O-CB 3.25Å; I700-V703 PolarHBondContact O-N 3.46Å; I700-V703 VanDerWaalsContact O-N 3.11Å; L701-V703 VanDerWaalsContact C-N 3.3Å; L701-V703 PolarHBondContact O-N 2.96Å; V703-L711 HydrophobicContact CG2-CD1 4.17Å; V703-L711 HydrophobicContact CG2-CD2 3.83Å; V703-L730 HydrophobicContact CB-CD2 4.28Å; V703-L730 HydrophobicContact CG1-CD2 3.94Å; V703-L730 HydrophobicContact CG2-CD1 4.35Å; V703-L730 HydrophobicContact CG2-CD2 3.82Å; V703-L743 HydrophobicContact CG1-CD2 3.86Å
704H81.5Confident87.6Confident24 Ų2433.6 Ų33.611%0.11117%0.165CC..Hα-helixtrans-70.8-40.4175.8-77.7-73.6000113.4V658 H660 L661 N663 G665 I700 L701 G702V658-H704 PolarHBondContact O-NE2 2.65Å; V658-H704 VanDerWaalsContact O-NE2 3.14Å; H660-H704 PolarHBondContact O-CE1 2.97Å; H660-H704 VanDerWaalsContact O-CE1 3.25Å; L661-H704 VanDerWaalsContact CA-CE1 3.42Å; L661-H704 WeakPolarHBondContact CA-CE1 3.12Å; N663-H704 PolarHBondContact O-CE1 3.02Å; N663-H704 PolarHBondContact O-ND1 3.28Å; G665-H704 PolarHBondContact N-O 3.22Å; I700-H704 PolarHBondContact O-CD2 3.45Å; I700-H704 PolarHBondContact O-N 3.43Å; I700-H704 VanDerWaalsContact O-N 3.12Å; L701-H704 PolarHBondContact O-N 3.13Å; L701-H704 VanDerWaalsContact O-N 3.16Å; G702-H704 VanDerWaalsContact C-N 3.34Å
705C84.1Confident87.6Confident22 Ų2234.4 Ų34.415%0.14917%0.169CC..Hα-helixtrans-95.5-27.6-166-66.90000113.8D669 F670 F673 L701 G702D669-C705 PolarHBondContact O-SG 3.08Å; D669-C705 VanDerWaalsContact O-SG 3.39Å; F670-C705 HydrophobicContact CD2-CB 4.07Å; F673-C705 HydrophobicContact CB-CB 4.46Å; F673-C705 HydrophobicContact CG-CB 4.43Å; L701-C705 VanDerWaalsContact O-CB 3.23Å; L701-C705 WeakPolarHBondContact O-CB 3.47Å; L701-C705 PolarHBondContact O-N 3.25Å; L701-C705 PolarHBondContact O-SG 2.98Å; G702-C705 PolarHBondContact O-N 2.68Å
706L87.4Confident87.6Confident23 Ų2338.5 Ų38.512%0.1219%0.191CC..SBendtrans-105.5141.5-171.2-59.4178000113.1F673 G702 N710 L711 Y714 L720F673-L706 HydrophobicContact CE1-CD1 4.04Å; F673-L706 HydrophobicContact CE1-CD2 4.1Å; F673-L706 HydrophobicContact CE1-CG 4.21Å; F673-L706 HydrophobicContact CE2-CD1 4.41Å; F673-L706 HydrophobicContact CZ-CD1 3.65Å; F673-L706 HydrophobicContact CZ-CG 4.19Å; G702-L706 VanDerWaalsContact O-CB 3.25Å; G702-L706 WeakPolarHBondContact O-CB 3.34Å; G702-L706 PolarHBondContact O-N 3.32Å; L706-N710 HydrophobicContact CB-CB 4.38Å; L706-L711 HydrophobicContact CB-CB 4.17Å; L706-Y714 HydrophobicContact CD1-CD1 4.39Å; L706-Y714 HydrophobicContact CD1-CD2 4.35Å; L706-Y714 HydrophobicContact CD1-CG 4.21Å; L706-L720 HydrophobicContact CD1-CD1 4.28Å
707P87.8Confident87.6Confident84 Ų8443.1 Ų43.155%0.54522%0.215SC..  trans-59.3149.9163-20.932.2000111.3Y709 N710 L711P707-Y709 VanDerWaalsContact C-N 3.27Å; P707-Y709 PolarHBondContact O-N 3.1Å; P707-Y709 VanDerWaalsContact O-N 3.12Å; P707-N710 PolarHBondContact O-N 3.38Å; P707-L711 PolarHBondContact O-N 3.4Å
708L86.6Confident87.5Confident66 Ų6644.8 Ų44.835%0.34624%0.235SC..Hα-helixtrans-49.2-44.9-176.7178.763.8000113.1N710 L711 L712 L743L708-N710 PolarHBondContact O-N 3.39Å; L708-L711 PolarHBondContact O-N 2.98Å; L708-L712 HydrophobicContact CD1-CD1 4.01Å; L708-L712 HydrophobicContact CD1-CD2 4.38Å; L708-L712 HydrophobicContact CD1-CG 4.02Å; L708-L712 HydrophobicContact CG-CD1 4.06Å; L708-L712 HydrophobicContact CG-CG 4.42Å; L708-L712 VanDerWaalsContact O-CG 3.24Å; L708-L712 WeakPolarHBondContact O-CG 3.42Å; L708-L712 PolarHBondContact O-N 2.85Å; L708-L743 HydrophobicContact CD1-CB 4.21Å; L708-L743 HydrophobicContact CD1-CD1 3.49Å; L708-L743 VanDerWaalsContact CD1-CD1 3.49Å; L708-L743 HydrophobicContact CD1-CG 4.47Å
709Y88.7Confident87.4Confident180 Ų18046.9 Ų46.971%0.70625%0.247SC*.Hα-helixtrans-60.5-47179.5178.9-97.4000112.6P707 L712 H713P707-Y709 VanDerWaalsContact C-N 3.27Å; P707-Y709 PolarHBondContact O-N 3.1Å; P707-Y709 VanDerWaalsContact O-N 3.12Å; Y709-L712 PolarHBondContact O-N 3.34Å; Y709-H713 WeakPolarHBondContact O-CB 3.29Å; Y709-H713 PolarHBondContact O-N 3.39Å
710N89.5Confident87.4Confident68 Ų6847 Ų4736%0.36425%0.248SC..Hα-helixtrans-67.6-41178.9-69.50.9000111L706 P707 L708 L712 H713 Y714L706-N710 HydrophobicContact CB-CB 4.38Å; P707-N710 PolarHBondContact O-N 3.38Å; L708-N710 PolarHBondContact O-N 3.39Å; N710-L712 PolarHBondContact O-N 2.84Å; N710-H713 WeakPolarHBondContact O-CB 3.46Å; N710-H713 PolarHBondContact O-N 3.45Å; N710-Y714 WeakPolarHBondContact O-CD2 3.14Å; N710-Y714 PolarHBondContact O-N 2.71Å
711L90.3Very high87.5Confident3 Ų350.5 Ų50.52%0.01627%0.266CS..Hα-helixtrans-56.5-49.8175.8178.268.8000111.2M699 V703 L706 P707 L708 H713 Y714 I715 L720 L743M699-L711 HydrophobicContact SD-CD1 4.44Å; V703-L711 HydrophobicContact CG2-CD1 4.17Å; V703-L711 HydrophobicContact CG2-CD2 3.83Å; L706-L711 HydrophobicContact CB-CB 4.17Å; P707-L711 PolarHBondContact O-N 3.4Å; L708-L711 PolarHBondContact O-N 2.98Å; L711-H713 VanDerWaalsContact C-N 3.32Å; L711-H713 PolarHBondContact O-N 2.73Å; L711-Y714 PolarHBondContact O-N 3.19Å; L711-I715 HydrophobicContact CD1-CD1 4.34Å; L711-I715 HydrophobicContact CG-CD1 4.05Å; L711-I715 WeakPolarHBondContact O-CG1 3.39Å; L711-I715 PolarHBondContact O-N 3.42Å; L711-L720 HydrophobicContact CD1-CD1 3.55Å; L711-L743 HydrophobicContact CD2-CD1 3.48Å; L711-L743 VanDerWaalsContact CD2-CD1 3.48Å
712L90.2Very high87.4Confident22 Ų2252.3 Ų52.312%0.11528%0.276CS..Hα-helixtrans-63.5-39.1178.4-64.8177.4000111.7L708 Y709 N710 Y714 I715 D716L708-L712 HydrophobicContact CD1-CD1 4.01Å; L708-L712 HydrophobicContact CD1-CD2 4.38Å; L708-L712 HydrophobicContact CD1-CG 4.02Å; L708-L712 HydrophobicContact CG-CD1 4.06Å; L708-L712 HydrophobicContact CG-CG 4.42Å; L708-L712 VanDerWaalsContact O-CG 3.24Å; L708-L712 WeakPolarHBondContact O-CG 3.42Å; L708-L712 PolarHBondContact O-N 2.85Å; Y709-L712 PolarHBondContact O-N 3.34Å; N710-L712 PolarHBondContact O-N 2.84Å; L712-Y714 VanDerWaalsContact C-N 3.35Å; L712-Y714 PolarHBondContact O-N 3.1Å; L712-I715 HydrophobicContact CD2-CD1 4.46Å; L712-I715 PolarHBondContact O-N 3.49Å; L712-D716 WeakPolarHBondContact O-CB 3.37Å; L712-D716 PolarHBondContact O-N 3.35Å
713H90.8Very high87.2Confident91 Ų9153.3 Ų53.342%0.42128%0.282SS..Hα-helixtrans-61.7-41.8175.2-172.963.3000112.5Y709 N710 L711 I715 D716 N717Y709-H713 WeakPolarHBondContact O-CB 3.29Å; Y709-H713 PolarHBondContact O-N 3.39Å; N710-H713 WeakPolarHBondContact O-CB 3.46Å; N710-H713 PolarHBondContact O-N 3.45Å; L711-H713 VanDerWaalsContact C-N 3.32Å; L711-H713 PolarHBondContact O-N 2.73Å; H713-I715 VanDerWaalsContact C-N 3.35Å; H713-D716 PolarHBondContact O-N 3.21Å; H713-N717 PolarHBondContact CD2-ND2 2.92Å; H713-N717 PolarHBondContact CE1-ND2 2.88Å; H713-N717 PolarHBondContact NE2-ND2 3.44Å; H713-N717 WeakPolarHBondContact O-CB 3.42Å; H713-N717 VanDerWaalsContact O-CG 3.27Å; H713-N717 PolarHBondContact O-N 3.09Å; H713-N717 PolarHBondContact O-ND2 3.42Å
714Y90.1Very high86.9Confident77 Ų7756.2 Ų56.230%0.30229%0.294SS..Hα-helixtrans-66.4-36.2176.8-88-119.1000112.3F673 L706 N710 L711 L712 G718 V719 L720F673-Y714 HydrophobicContact CE1-CE1 4.44Å; F673-Y714 HydrophobicContact CZ-CD1 4.32Å; F673-Y714 HydrophobicContact CZ-CE1 4.27Å; L706-Y714 HydrophobicContact CD1-CD1 4.39Å; L706-Y714 HydrophobicContact CD1-CD2 4.35Å; L706-Y714 HydrophobicContact CD1-CG 4.21Å; N710-Y714 WeakPolarHBondContact O-CD2 3.14Å; N710-Y714 PolarHBondContact O-N 2.71Å; L711-Y714 PolarHBondContact O-N 3.19Å; L712-Y714 VanDerWaalsContact C-N 3.35Å; L712-Y714 PolarHBondContact O-N 3.1Å; Y714-G718 PolarHBondContact O-N 2.87Å; Y714-V719 HydrophobicContact CD1-CB 3.85Å; Y714-V719 HydrophobicContact CD1-CG1 3.58Å; Y714-V719 HydrophobicContact CD1-CG2 4.44Å; Y714-V719 HydrophobicContact CE1-CG1 4.02Å; Y714-V719 HydrophobicContact CG-CB 4.41Å; Y714-V719 PolarHBondContact O-N 3.47Å; Y714-L720 HydrophobicContact CD1-CG 4.42Å; Y714-L720 HydrophobicContact CG-CD1 4.47Å; Y714-L720 PolarHBondContact O-N 2.86Å; Y714-L720 VanDerWaalsContact O-N 3.16Å
715I90.2Very high86.9Confident17 Ų1757.8 Ų57.89%0.08731%0.305CS..Hα-helixtrans-67-47.7173.7-67.1163.9000110.4M699 L711 L712 H713 N717 G718 L720 L722M699-I715 HydrophobicContact SD-CD1 4.16Å; M699-I715 HydrophobicContact SD-CG1 4.19Å; L711-I715 HydrophobicContact CD1-CD1 4.34Å; L711-I715 HydrophobicContact CG-CD1 4.05Å; L711-I715 WeakPolarHBondContact O-CG1 3.39Å; L711-I715 PolarHBondContact O-N 3.42Å; L712-I715 HydrophobicContact CD2-CD1 4.46Å; L712-I715 PolarHBondContact O-N 3.49Å; H713-I715 VanDerWaalsContact C-N 3.35Å; I715-N717 VanDerWaalsContact C-N 3.28Å; I715-N717 PolarHBondContact O-N 3.14Å; I715-G718 PolarHBondContact O-N 3.32Å; I715-L720 HydrophobicContact CG1-CB 3.91Å; I715-L722 HydrophobicContact CD1-CD2 4.09Å; I715-L722 HydrophobicContact CG1-CD2 4.44Å; I715-L722 HydrophobicContact CG2-CD1 3.9Å; I715-L722 HydrophobicContact CG2-CD2 4.48Å; I715-L722 HydrophobicContact CG2-CG 4.01Å
716D87.9Confident86.8Confident93 Ų9356.8 Ų56.850%0.49730%0.298SS..Hα-helixtrans-64.9-32.8-177-70-24.6000111.9L712 H713 G718 R750L712-D716 WeakPolarHBondContact O-CB 3.37Å; L712-D716 PolarHBondContact O-N 3.35Å; H713-D716 PolarHBondContact O-N 3.21Å; D716-G718 VanDerWaalsContact C-N 3.31Å; D716-R750 WeakPolarHBondContact OD1-CD 3.48Å; D716-R750 IonicContact OD1-CZ 3.94Å; D716-R750 IonicContact OD1-NE 3.2Å; D716-R750 PolarHBondContact OD1-NE 3.09Å; D716-R750 IonicContact OD1-NH2 3.14Å; D716-R750 IonicContact OD2-CZ 3.32Å; D716-R750 IonicContact OD2-NE 3.76Å; D716-R750 PolarHBondContact OD2-NE 3.33Å; D716-R750 IonicContact OD2-NH2 2.74Å; D716-R750 PolarHBondContact OD2-NH2 2.99Å
717N86.2Confident86.7Confident101 Ų10155.7 Ų55.754%0.5429%0.293SS..THydrogen-bonded Turntrans-81.7-4.1173.7-67.4-24.1000114H713 I715 V719H713-N717 PolarHBondContact CD2-ND2 2.92Å; H713-N717 PolarHBondContact CE1-ND2 2.88Å; H713-N717 PolarHBondContact NE2-ND2 3.44Å; H713-N717 WeakPolarHBondContact O-CB 3.42Å; H713-N717 VanDerWaalsContact O-CG 3.27Å; H713-N717 PolarHBondContact O-N 3.09Å; H713-N717 PolarHBondContact O-ND2 3.42Å; I715-N717 VanDerWaalsContact C-N 3.28Å; I715-N717 PolarHBondContact O-N 3.14Å; N717-V719 HydrophobicContact CB-CG2 4.4Å
718G83.6Confident86.4Confident44 Ų4452.7 Ų52.745%0.45427%0.273SS..THydrogen-bonded Turntrans75.716.8179.800000115.4Y714 I715 D716Y714-G718 PolarHBondContact O-N 2.87Å; I715-G718 PolarHBondContact O-N 3.32Å; D716-G718 VanDerWaalsContact C-N 3.31Å
719V87.3Confident86.1Confident45 Ų4551.6 Ų51.627%0.27327%0.267SS..SBendtrans-75.4-41172.5-178.40000110.3T677 L680 Y714 N717T677-V719 HydrophobicContact CG2-CG1 4.22Å; L680-V719 HydrophobicContact CD2-CG1 4.35Å; L680-V719 VanDerWaalsContact CD2-O 3.25Å; L680-V719 WeakPolarHBondContact CD2-O 3.41Å; Y714-V719 HydrophobicContact CD1-CB 3.85Å; Y714-V719 HydrophobicContact CD1-CG1 3.58Å; Y714-V719 HydrophobicContact CD1-CG2 4.44Å; Y714-V719 HydrophobicContact CE1-CG1 4.02Å; Y714-V719 HydrophobicContact CG-CB 4.41Å; Y714-V719 PolarHBondContact O-N 3.47Å; N717-V719 HydrophobicContact CB-CG2 4.4Å
720L89.5Confident85.9Confident2 Ų243.1 Ų43.11%0.0123%0.233CC..SBendtrans-104118.6174-67.1174.7000110F673 H698 M699 L706 L711 Y714 I715F673-L720 HydrophobicContact CE2-CD2 3.95Å; F673-L720 HydrophobicContact CZ-CD2 4.42Å; H698-L720 HydrophobicContact CB-CD2 4.46Å; M699-L720 HydrophobicContact CG-CB 4.15Å; M699-L720 HydrophobicContact SD-CB 3.88Å; M699-L720 HydrophobicContact SD-CD1 4.24Å; L706-L720 HydrophobicContact CD1-CD1 4.28Å; L711-L720 HydrophobicContact CD1-CD1 3.55Å; Y714-L720 HydrophobicContact CD1-CG 4.42Å; Y714-L720 HydrophobicContact CG-CD1 4.47Å; Y714-L720 PolarHBondContact O-N 2.86Å; Y714-L720 VanDerWaalsContact O-N 3.16Å; I715-L720 HydrophobicContact CG1-CB 3.91Å
721L85.9Confident85.6Confident76 Ų7640 Ų4040%0.39822%0.217SC..  trans-92.3126.5-179.7-61.5-175.8000111H695 M699 T723H695-L721 HydrophobicContact CB-CB 4.3Å; M699-L721 WeakPolarHBondContact CG-O 3.18Å; L721-T723 PolarHBondContact O-N 3.3Å; L721-T723 VanDerWaalsContact O-N 3.08Å
722L85.2Confident85.2Confident38 Ų3846 Ų4620%0.19924%0.242CC..  trans-7790.9174.4-64.5176.6000110.2M699 I715 V727 I747 R750 L751M699-L722 HydrophobicContact CE-CD2 3.86Å; M699-L722 HydrophobicContact SD-CD2 4.07Å; I715-L722 HydrophobicContact CD1-CD2 4.09Å; I715-L722 HydrophobicContact CG1-CD2 4.44Å; I715-L722 HydrophobicContact CG2-CD1 3.9Å; I715-L722 HydrophobicContact CG2-CD2 4.48Å; I715-L722 HydrophobicContact CG2-CG 4.01Å; L722-V727 HydrophobicContact CB-CG2 4.09Å; L722-V727 HydrophobicContact CD2-CG2 4.14Å; L722-I747 HydrophobicContact CD1-CG2 4.16Å; L722-I747 HydrophobicContact CD2-CG2 3.88Å; L722-R750 HydrophobicContact CD1-CB 4.05Å; L722-L751 HydrophobicContact CB-CD2 3.76Å; L722-L751 HydrophobicContact CD1-CD2 3.73Å; L722-L751 HydrophobicContact CD1-CG 4.31Å; L722-L751 HydrophobicContact CG-CD2 4.34Å
723T82.4Confident84.7Confident20 Ų2047.3 Ų47.312%0.12325%0.25CC..  trans-79.2152.6172.962.60000111.2H695 S696 L721 T725 A726 V727H695-T723 HydrophobicContact CB-CG2 3.82Å; S696-T723 WeakPolarHBondContact OG-CB 3.05Å; S696-T723 PolarHBondContact OG-OG1 3.05Å; L721-T723 PolarHBondContact O-N 3.3Å; L721-T723 VanDerWaalsContact O-N 3.08Å; T723-T725 VanDerWaalsContact C-N 3.29Å; T723-T725 PolarHBondContact O-N 3.07Å; T723-A726 PolarHBondContact O-N 2.99Å; T723-A726 WeakPolarHBondContact OG1-CB 3.48Å; T723-A726 PolarHBondContact OG1-N 3.07Å; T723-V727 WeakPolarHBondContact O-CB 3.26Å; T723-V727 WeakPolarHBondContact O-CG2 3.3Å; T723-V727 PolarHBondContact O-N 3.36Å; T723-V727 VanDerWaalsContact O-N 3.1Å
724E80.4Confident84.3Confident84 Ų8443.5 Ų43.539%0.39323%0.233SC..Hα-helixtrans-58-44177.5-174.1167.317800110.5V727 T728 K758E724-V727 PolarHBondContact O-N 3.13Å; E724-T728 WeakPolarHBondContact O-CB 3.38Å; E724-T728 PolarHBondContact O-N 3.22Å; E724-T728 PolarHBondContact O-OG1 3.3Å; E724-K758 WeakPolarHBondContact OE1-CD 3.49Å; E724-K758 IonicContact OE1-NZ 2.71Å; E724-K758 PolarHBondContact OE1-NZ 3.47Å; E724-K758 IonicContact OE2-NZ 3.25Å
725T81.5Confident83.8Confident58 Ų5843.9 Ų43.936%0.35624%0.24SC..Hα-helixtrans-60.9-52.1178.6-460000113E594 T723 V727 T728 M729E594-T725 VanDerWaalsContact CD-CB 3.47Å; E594-T725 HydrophobicContact CG-CG2 4.45Å; E594-T725 WeakPolarHBondContact CG-OG1 3.21Å; E594-T725 WeakPolarHBondContact OE1-CB 3.44Å; E594-T725 PolarHBondContact OE1-OG1 3.04Å; T723-T725 VanDerWaalsContact C-N 3.29Å; T723-T725 PolarHBondContact O-N 3.07Å; T725-V727 VanDerWaalsContact C-N 3.28Å; T725-V727 PolarHBondContact O-N 3.44Å; T725-T728 PolarHBondContact O-N 2.94Å; T725-M729 HydrophobicContact CG2-SD 4.4Å; T725-M729 WeakPolarHBondContact O-CG 3.28Å; T725-M729 PolarHBondContact O-N 2.92Å
726A82.3Confident83.4Confident0 Ų046.3 Ų46.30%025%0.253CS..Hα-helixtrans-62.5-40.7-177.900000111.1M699 T723 M729 L730M699-A726 HydrophobicContact CB-CB 4.11Å; T723-A726 PolarHBondContact O-N 2.99Å; T723-A726 WeakPolarHBondContact OG1-CB 3.48Å; T723-A726 PolarHBondContact OG1-N 3.07Å; A726-M729 PolarHBondContact O-N 3.16Å; A726-L730 WeakPolarHBondContact O-CB 3.4Å; A726-L730 WeakPolarHBondContact O-CD1 3.44Å; A726-L730 WeakPolarHBondContact O-CG 3.48Å; A726-L730 PolarHBondContact O-N 2.82Å
727V84.6Confident83.1Confident0 Ų044 Ų440%024%0.244CC..Hα-helixtrans-68.8-40.7178.8179.20000111.1L722 T723 E724 T725 M729 L730 M731 I747 L751 V759L722-V727 HydrophobicContact CB-CG2 4.09Å; L722-V727 HydrophobicContact CD2-CG2 4.14Å; T723-V727 WeakPolarHBondContact O-CB 3.26Å; T723-V727 WeakPolarHBondContact O-CG2 3.3Å; T723-V727 PolarHBondContact O-N 3.36Å; T723-V727 VanDerWaalsContact O-N 3.1Å; E724-V727 PolarHBondContact O-N 3.13Å; T725-V727 VanDerWaalsContact C-N 3.28Å; T725-V727 PolarHBondContact O-N 3.44Å; V727-M729 VanDerWaalsContact C-N 3.34Å; V727-M729 PolarHBondContact O-N 3.25Å; V727-L730 WeakPolarHBondContact O-CB 3.24Å; V727-L730 PolarHBondContact O-N 3.41Å; V727-M731 HydrophobicContact CG1-CE 4.2Å; V727-M731 WeakPolarHBondContact O-CG 3.36Å; V727-M731 PolarHBondContact O-N 3.15Å; V727-I747 HydrophobicContact CG1-CG2 4.36Å; V727-I747 HydrophobicContact CG2-CG2 4.28Å; V727-L751 HydrophobicContact CG1-CD1 3.72Å; V727-L751 HydrophobicContact CG2-CD2 4.11Å; V727-V759 HydrophobicContact CB-CG2 4.29Å; V727-V759 HydrophobicContact CG1-CB 4.13Å; V727-V759 HydrophobicContact CG1-CG1 3.37Å; V727-V759 HydrophobicContact CG1-CG2 3.68Å
728T82.2Confident82.9Confident21 Ų2145.6 Ų45.613%0.12925%0.248CC..Hα-helixtrans-62.7-40.5174.8-67.10000111.7E724 T725 M731 K732 F762E724-T728 WeakPolarHBondContact O-CB 3.38Å; E724-T728 PolarHBondContact O-N 3.22Å; E724-T728 PolarHBondContact O-OG1 3.3Å; T725-T728 PolarHBondContact O-N 2.94Å; T728-M731 PolarHBondContact O-N 3.47Å; T728-K732 HydrophobicContact CG2-CD 4.14Å; T728-K732 WeakPolarHBondContact O-CG 3.4Å; T728-K732 PolarHBondContact O-N 2.95Å; T728-K732 VanDerWaalsContact O-N 3.15Å; T728-F762 HydrophobicContact CG2-CD1 4.41Å; T728-F762 HydrophobicContact CG2-CD2 3.76Å; T728-F762 HydrophobicContact CG2-CE2 3.95Å; T728-F762 HydrophobicContact CG2-CG 4.01Å; T728-F762 HydrophobicContact CG2-CZ 4.34Å
729M80.4Confident82.8Confident44 Ų4450.9 Ų50.922%0.21726%0.259CS..Hα-helixtrans-62.3-45.2172.6-70.7-178.265.800111.4L659 I700 T725 A726 V727 M731 K732 D733L659-M729 HydrophobicContact CB-CE 3.98Å; L659-M729 HydrophobicContact CD2-CE 4.09Å; I700-M729 HydrophobicContact CD1-CE 3.91Å; I700-M729 HydrophobicContact CD1-SD 3.85Å; T725-M729 HydrophobicContact CG2-SD 4.4Å; T725-M729 WeakPolarHBondContact O-CG 3.28Å; T725-M729 PolarHBondContact O-N 2.92Å; A726-M729 PolarHBondContact O-N 3.16Å; V727-M729 VanDerWaalsContact C-N 3.34Å; V727-M729 PolarHBondContact O-N 3.25Å; M729-M731 VanDerWaalsContact C-N 3.27Å; M729-M731 PolarHBondContact O-N 3.32Å; M729-K732 PolarHBondContact O-N 3.17Å; M729-K732 VanDerWaalsContact O-N 3.16Å; M729-D733 WeakPolarHBondContact O-CB 3.41Å; M729-D733 PolarHBondContact O-N 3.4Å
730L83Confident82.6Confident1 Ų149.9 Ų49.91%0.00525%0.252CS..Hα-helixtrans-57.8-37.8176.4-75162.4000113.3L661 M699 V703 A726 V727 L734 I747L661-L730 HydrophobicContact CD1-CB 4.36Å; L661-L730 HydrophobicContact CD1-CD2 3.51Å; L661-L730 HydrophobicContact CD1-CG 3.96Å; L661-L730 HydrophobicContact CD2-CD2 3.64Å; L661-L730 HydrophobicContact CG-CD2 4.2Å; M699-L730 HydrophobicContact CE-CD1 3.54Å; V703-L730 HydrophobicContact CB-CD2 4.28Å; V703-L730 HydrophobicContact CG1-CD2 3.94Å; V703-L730 HydrophobicContact CG2-CD1 4.35Å; V703-L730 HydrophobicContact CG2-CD2 3.82Å; A726-L730 WeakPolarHBondContact O-CB 3.4Å; A726-L730 WeakPolarHBondContact O-CD1 3.44Å; A726-L730 WeakPolarHBondContact O-CG 3.48Å; A726-L730 PolarHBondContact O-N 2.82Å; V727-L730 WeakPolarHBondContact O-CB 3.24Å; V727-L730 PolarHBondContact O-N 3.41Å; L730-L734 HydrophobicContact CD2-CD1 3.84Å; L730-L734 WeakPolarHBondContact O-CB 3.3Å; L730-I747 HydrophobicContact CD1-CD1 3.9Å
731M83.3Confident82.3Confident4 Ų452.2 Ų52.22%0.0226%0.263CS..Hα-helixtrans-73-36.7178.1-66.6-53.3163.200113V727 T728 M729 K744 I748 V759 F762 W763V727-M731 HydrophobicContact CG1-CE 4.2Å; V727-M731 WeakPolarHBondContact O-CG 3.36Å; V727-M731 PolarHBondContact O-N 3.15Å; T728-M731 PolarHBondContact O-N 3.47Å; M729-M731 VanDerWaalsContact C-N 3.27Å; M729-M731 PolarHBondContact O-N 3.32Å; M731-K744 HydrophobicContact CE-CB 4.2Å; M731-K744 HydrophobicContact CE-CG 4.35Å; M731-K744 PolarHBondContact O-NZ 2.92Å; M731-K744 HydrophobicContact SD-CB 4.06Å; M731-K744 HydrophobicContact SD-CD 3.85Å; M731-K744 HydrophobicContact SD-CG 3.78Å; M731-I748 HydrophobicContact CE-CD1 3.62Å; M731-I748 HydrophobicContact CE-CG1 3.46Å; M731-I748 VanDerWaalsContact CE-CG1 3.46Å; M731-I748 HydrophobicContact SD-CD1 4.31Å; M731-V759 HydrophobicContact CE-CG1 3.82Å; M731-V759 HydrophobicContact CG-CG1 3.44Å; M731-V759 VanDerWaalsContact CG-CG1 3.44Å; M731-V759 HydrophobicContact SD-CG1 4.36Å; M731-F762 HydrophobicContact CB-CB 4.22Å; M731-W763 HydrophobicContact CB-CB 4.3Å; M731-W763 HydrophobicContact CG-CB 4.4Å; M731-W763 HydrophobicContact SD-CB 4.11Å; M731-W763 HydrophobicContact SD-CD2 4.34Å; M731-W763 HydrophobicContact SD-CG 4.16Å
732K81.4Confident82.3Confident127 Ų12753.7 Ų53.755%0.55227%0.266SS*.Hα-helixtrans-78.7-42.4-177.1-72.5-180178.2-1780113.5T728 M729 F762T728-K732 HydrophobicContact CG2-CD 4.14Å; T728-K732 WeakPolarHBondContact O-CG 3.4Å; T728-K732 PolarHBondContact O-N 2.95Å; T728-K732 VanDerWaalsContact O-N 3.15Å; M729-K732 PolarHBondContact O-N 3.17Å; M729-K732 VanDerWaalsContact O-N 3.16Å; K732-F762 HydrophobicContact CG-CB 4.21Å
733D80.5Confident82.3Confident51 Ų5152.6 Ų52.627%0.27326%0.26SS..Hα-helixtrans-91.3-26.6-166.3-62.3-22.7000113.4L661 N662 M729L661-D733 HydrophobicContact CB-CB 4.42Å; L661-D733 HydrophobicContact CD1-CB 4.01Å; N662-D733 PolarHBondContact ND2-O 3.11Å; N662-D733 VanDerWaalsContact ND2-O 3.13Å; N662-D733 PolarHBondContact OD1-O 3.02Å; M729-D733 WeakPolarHBondContact O-CB 3.41Å; M729-D733 PolarHBondContact O-N 3.4Å
734L81.8Confident82.5Confident11 Ų1151.8 Ų51.86%0.05826%0.255CS..SBendtrans-82137.8177.6-70.1174.3000111.2L661 L730 N740 L743 K744L661-L734 HydrophobicContact CB-CD2 3.57Å; L661-L734 HydrophobicContact CB-CG 3.94Å; L661-L734 HydrophobicContact CD1-CG 4.24Å; L730-L734 HydrophobicContact CD2-CD1 3.84Å; L730-L734 WeakPolarHBondContact O-CB 3.3Å; L734-N740 HydrophobicContact CB-CB 4.4Å; L734-L743 HydrophobicContact CD1-CD2 3.84Å; L734-K744 PolarHBondContact O-NZ 3.49Å
735D80.1Confident82.8Confident84 Ų8451.2 Ų51.245%0.44925%0.251SS..  trans-69.5174170.272.85.4000112.9S737 N740 K744D735-S737 VanDerWaalsContact C-N 3.29Å; D735-S737 PolarHBondContact O-N 2.93Å; D735-S737 VanDerWaalsContact OD1-CB 3.25Å; D735-S737 WeakPolarHBondContact OD1-CB 3.39Å; D735-S737 PolarHBondContact OD1-N 3.26Å; D735-S737 VanDerWaalsContact OD1-N 3.12Å; D735-S737 PolarHBondContact OD1-OG 3.39Å; D735-N740 VanDerWaalsContact O-CB 3.28Å; D735-N740 WeakPolarHBondContact O-CB 3.3Å; D735-N740 PolarHBondContact OD1-ND2 3.46Å; D735-K744 PolarHBondContact O-NZ 3.15Å
736N81.9Confident83Confident68 Ų6849.9 Ų49.936%0.36424%0.244SC..  trans-94.536.6175-67.2-21.6000111.7E741 K744 W763 D764N736-E741 HydrophobicContact CB-CG 4.16Å; N736-K744 PolarHBondContact OD1-NZ 3.43Å; N736-W763 PolarHBondContact OD1-NE1 3.49Å; N736-D764 PolarHBondContact ND2-O 2.75Å
737S82.4Confident83.2Confident44 Ų4449.9 Ų49.931%0.30824%0.244SC..  trans-66.2151.5169.462.10000110.7D735 K739 N740 E741D735-S737 VanDerWaalsContact C-N 3.29Å; D735-S737 PolarHBondContact O-N 2.93Å; D735-S737 VanDerWaalsContact OD1-CB 3.25Å; D735-S737 WeakPolarHBondContact OD1-CB 3.39Å; D735-S737 PolarHBondContact OD1-N 3.26Å; D735-S737 VanDerWaalsContact OD1-N 3.12Å; D735-S737 PolarHBondContact OD1-OG 3.39Å; S737-K739 PolarHBondContact O-N 3.36Å; S737-N740 PolarHBondContact O-N 2.94Å; S737-N740 WeakPolarHBondContact OG-CB 3.47Å; S737-N740 PolarHBondContact OG-ND2 2.95Å; S737-E741 PolarHBondContact O-N 3.29Å
738E81Confident83.2Confident135 Ų13551 Ų5163%0.63125%0.25SS*.Hα-helixtrans-52.2-34.9-177.4-168-164.7156.600112.9K742E738-K742 VanDerWaalsContact O-CG 3.26Å; E738-K742 WeakPolarHBondContact O-CG 3.31Å; E738-K742 PolarHBondContact O-N 3.02Å; E738-K742 WeakPolarHBondContact OE1-CE 3.44Å; E738-K742 IonicContact OE1-NZ 2.89Å; E738-K742 PolarHBondContact OE1-NZ 3.4Å
739K81.4Confident83.2Confident155 Ų15555.8 Ų55.867%0.67428%0.279SS*.Hα-helixtrans-67.9-46.3176-177-172.7169.8-162.80111.9S737 K742 L743S737-K739 PolarHBondContact O-N 3.36Å; K739-K742 PolarHBondContact O-N 3.39Å; K739-L743 PolarHBondContact O-N 3.36Å
740N83.9Confident83.4Confident24 Ų2457.8 Ų57.813%0.12828%0.284CS..Hα-helixtrans-76.4-33-176.4-71.2-14.7000111.8L734 D735 S737 L743 K744L734-N740 HydrophobicContact CB-CB 4.4Å; D735-N740 VanDerWaalsContact O-CB 3.28Å; D735-N740 WeakPolarHBondContact O-CB 3.3Å; D735-N740 PolarHBondContact OD1-ND2 3.46Å; S737-N740 PolarHBondContact O-N 2.94Å; S737-N740 WeakPolarHBondContact OG-CB 3.47Å; S737-N740 PolarHBondContact OG-ND2 2.95Å; N740-L743 WeakPolarHBondContact O-CB 3.37Å; N740-L743 PolarHBondContact O-N 3.41Å; N740-K744 WeakPolarHBondContact O-CG 3.38Å; N740-K744 PolarHBondContact O-N 3.09Å
741E83.5Confident83.3Confident51 Ų5158.6 Ų58.624%0.23829%0.288CS..Hα-helixtrans-60.1-46.9169.7-71.4-173.115900111.3N736 S737 L743 K744 F745 W763 H765N736-E741 HydrophobicContact CB-CG 4.16Å; S737-E741 PolarHBondContact O-N 3.29Å; E741-L743 VanDerWaalsContact C-N 3.25Å; E741-L743 PolarHBondContact O-N 3.2Å; E741-K744 PolarHBondContact O-N 3.21Å; E741-F745 HydrophobicContact CB-CD2 4.35Å; E741-F745 HydrophobicContact CB-CE2 4.32Å; E741-F745 WeakPolarHBondContact O-CB 3.42Å; E741-F745 WeakPolarHBondContact O-CD2 3.45Å; E741-F745 PolarHBondContact O-N 2.72Å; E741-W763 HydrophobicContact CG-CZ2 4.44Å; E741-H765 IonicContact OE1-CD2 2.75Å; E741-H765 PolarHBondContact OE1-CD2 3.5Å; E741-H765 IonicContact OE1-NE2 3.33Å
742K85.3Confident83.1Confident108 Ų10861.9 Ų61.947%0.4731%0.31SS..Hα-helixtrans-56.3-40.1174.9-76.3172.2-172.9169.20112.1E738 K739 S746E738-K742 VanDerWaalsContact O-CG 3.26Å; E738-K742 WeakPolarHBondContact O-CG 3.31Å; E738-K742 PolarHBondContact O-N 3.02Å; E738-K742 WeakPolarHBondContact OE1-CE 3.44Å; E738-K742 IonicContact OE1-NZ 2.89Å; E738-K742 PolarHBondContact OE1-NZ 3.4Å; K739-K742 PolarHBondContact O-N 3.39Å; K742-S746 VanDerWaalsContact O-CB 3.3Å; K742-S746 WeakPolarHBondContact O-CB 3.37Å; K742-S746 PolarHBondContact O-N 2.93Å; K742-S746 VanDerWaalsContact O-N 3.08Å; K742-S746 PolarHBondContact O-OG 2.67Å
743L85.4Confident82.6Confident15 Ų1560.7 Ų60.78%0.07932%0.315CS..Hα-helixtrans-65.1-52.9174.5175.365.2000111.6V703 L708 L711 L734 K739 N740 E741 F745 S746 I747V703-L743 HydrophobicContact CG1-CD2 3.86Å; L708-L743 HydrophobicContact CD1-CB 4.21Å; L708-L743 HydrophobicContact CD1-CD1 3.49Å; L708-L743 VanDerWaalsContact CD1-CD1 3.49Å; L708-L743 HydrophobicContact CD1-CG 4.47Å; L711-L743 HydrophobicContact CD2-CD1 3.48Å; L711-L743 VanDerWaalsContact CD2-CD1 3.48Å; L734-L743 HydrophobicContact CD1-CD2 3.84Å; K739-L743 PolarHBondContact O-N 3.36Å; N740-L743 WeakPolarHBondContact O-CB 3.37Å; N740-L743 PolarHBondContact O-N 3.41Å; E741-L743 VanDerWaalsContact C-N 3.25Å; E741-L743 PolarHBondContact O-N 3.2Å; L743-F745 PolarHBondContact O-N 3.4Å; L743-S746 PolarHBondContact O-N 2.55Å; L743-S746 VanDerWaalsContact O-N 3.1Å; L743-I747 HydrophobicContact CD1-CD1 3.83Å; L743-I747 HydrophobicContact CD1-CG1 4.23Å; L743-I747 HydrophobicContact CG-CD1 4.05Å; L743-I747 WeakPolarHBondContact O-CG1 3.41Å; L743-I747 PolarHBondContact O-N 3.32Å
744K87.3Confident82Confident3 Ų364.6 Ų64.61%0.01334%0.335CS..Hα-helixtrans-56.1-47.5179.8-71.7-179.7-174.9-176.30111.5M731 L734 D735 N736 N740 E741 S746 I747 I748 W763M731-K744 HydrophobicContact CE-CB 4.2Å; M731-K744 HydrophobicContact CE-CG 4.35Å; M731-K744 PolarHBondContact O-NZ 2.92Å; M731-K744 HydrophobicContact SD-CB 4.06Å; M731-K744 HydrophobicContact SD-CD 3.85Å; M731-K744 HydrophobicContact SD-CG 3.78Å; L734-K744 PolarHBondContact O-NZ 3.49Å; D735-K744 PolarHBondContact O-NZ 3.15Å; N736-K744 PolarHBondContact OD1-NZ 3.43Å; N740-K744 WeakPolarHBondContact O-CG 3.38Å; N740-K744 PolarHBondContact O-N 3.09Å; E741-K744 PolarHBondContact O-N 3.21Å; K744-S746 PolarHBondContact O-N 2.91Å; K744-I747 PolarHBondContact O-N 3.49Å; K744-I748 VanDerWaalsContact O-CG1 3.3Å; K744-I748 WeakPolarHBondContact O-CG1 3.38Å; K744-I748 PolarHBondContact O-N 3.38Å; K744-W763 HydrophobicContact CB-CH2 4.24Å; K744-W763 HydrophobicContact CB-CZ2 4.13Å; K744-W763 HydrophobicContact CD-CD2 4.15Å; K744-W763 HydrophobicContact CD-CG 4.32Å; K744-W763 HydrophobicContact CD-CZ2 3.97Å
745F85.2Confident81.5Confident72 Ų7266.4 Ų66.432%0.31634%0.344SS..Hα-helixtrans-59.7-45.7175-79.1-61.2000112.2E741 L743 I747 I748 V749 W763 H765 M767E741-F745 HydrophobicContact CB-CD2 4.35Å; E741-F745 HydrophobicContact CB-CE2 4.32Å; E741-F745 WeakPolarHBondContact O-CB 3.42Å; E741-F745 WeakPolarHBondContact O-CD2 3.45Å; E741-F745 PolarHBondContact O-N 2.72Å; L743-F745 PolarHBondContact O-N 3.4Å; F745-I747 VanDerWaalsContact C-N 3.25Å; F745-I747 PolarHBondContact O-N 2.98Å; F745-I748 PolarHBondContact O-N 3.45Å; F745-V749 VanDerWaalsContact O-CG2 3.3Å; F745-V749 WeakPolarHBondContact O-CG2 3.47Å; F745-V749 PolarHBondContact O-N 3.04Å; F745-V749 VanDerWaalsContact O-N 3.16Å; F745-W763 AromaticContact CD1-CH2 3.96Å; F745-W763 HydrophobicContact CD1-CH2 3.96Å; F745-W763 HydrophobicContact CD1-CZ3 4.16Å; F745-W763 HydrophobicContact CD2-CH2 4.06Å; F745-W763 AromaticContact CE1-CH2 3.64Å; F745-W763 HydrophobicContact CE1-CH2 3.64Å; F745-W763 AromaticContact CE1-CZ3 3.89Å; F745-W763 HydrophobicContact CE1-CZ3 3.89Å; F745-W763 AromaticContact CE2-CH2 3.74Å; F745-W763 HydrophobicContact CE2-CH2 3.74Å; F745-W763 HydrophobicContact CE2-CZ2 4.44Å; F745-W763 HydrophobicContact CG-CH2 4.16Å; F745-W763 AromaticContact CZ-CH2 3.53Å; F745-W763 HydrophobicContact CZ-CH2 3.53Å; F745-W763 HydrophobicContact CZ-CZ2 4.48Å; F745-W763 HydrophobicContact CZ-CZ3 4.21Å; F745-H765 AromaticContact CZ-CE1 3.72Å; F745-M767 HydrophobicContact CE1-CE 4.27Å; F745-M767 HydrophobicContact CE1-CG 4.32Å; F745-M767 HydrophobicContact CE1-SD 3.84Å
746S86.3Confident81.1Confident29 Ų2962.8 Ų62.820%0.20333%0.327CS..Hα-helixtrans-62.9-33.1-179.1-60.70000112.6K742 L743 K744 R750K742-S746 VanDerWaalsContact O-CB 3.3Å; K742-S746 WeakPolarHBondContact O-CB 3.37Å; K742-S746 PolarHBondContact O-N 2.93Å; K742-S746 VanDerWaalsContact O-N 3.08Å; K742-S746 PolarHBondContact O-OG 2.67Å; L743-S746 PolarHBondContact O-N 2.55Å; L743-S746 VanDerWaalsContact O-N 3.1Å; K744-S746 PolarHBondContact O-N 2.91Å; S746-R750 WeakPolarHBondContact O-CD 3.13Å; S746-R750 PolarHBondContact O-NH1 3.39Å
747I86.1Confident80.6Confident1 Ų164.1 Ų64.11%0.00533%0.331CS..Hα-helixtrans-75-48175.4-67.2175.8000111L722 V727 L730 L743 K744 F745 V749 R750 L751L722-I747 HydrophobicContact CD1-CG2 4.16Å; L722-I747 HydrophobicContact CD2-CG2 3.88Å; V727-I747 HydrophobicContact CG1-CG2 4.36Å; V727-I747 HydrophobicContact CG2-CG2 4.28Å; L730-I747 HydrophobicContact CD1-CD1 3.9Å; L743-I747 HydrophobicContact CD1-CD1 3.83Å; L743-I747 HydrophobicContact CD1-CG1 4.23Å; L743-I747 HydrophobicContact CG-CD1 4.05Å; L743-I747 WeakPolarHBondContact O-CG1 3.41Å; L743-I747 PolarHBondContact O-N 3.32Å; K744-I747 PolarHBondContact O-N 3.49Å; F745-I747 VanDerWaalsContact C-N 3.25Å; F745-I747 PolarHBondContact O-N 2.98Å; I747-V749 VanDerWaalsContact C-N 3.26Å; I747-V749 PolarHBondContact O-N 3.39Å; I747-R750 WeakPolarHBondContact O-CB 3.3Å; I747-R750 PolarHBondContact O-N 3.49Å; I747-L751 HydrophobicContact CG2-CD1 4.4Å; I747-L751 PolarHBondContact O-N 3.47Å
748I83.9Confident80.2Confident24 Ų2466.8 Ų66.812%0.12334%0.337CS..Hα-helixtrans-57.1-40.8-177.7-72.2166.4000111.7M731 K744 F745 R750 L751 W763M731-I748 HydrophobicContact CE-CD1 3.62Å; M731-I748 HydrophobicContact CE-CG1 3.46Å; M731-I748 VanDerWaalsContact CE-CG1 3.46Å; M731-I748 HydrophobicContact SD-CD1 4.31Å; K744-I748 VanDerWaalsContact O-CG1 3.3Å; K744-I748 WeakPolarHBondContact O-CG1 3.38Å; K744-I748 PolarHBondContact O-N 3.38Å; F745-I748 PolarHBondContact O-N 3.45Å; I748-R750 PolarHBondContact O-N 3.03Å; I748-R750 VanDerWaalsContact O-N 3.17Å; I748-L751 PolarHBondContact O-N 3.17Å; I748-L751 VanDerWaalsContact O-N 3.15Å; I748-W763 HydrophobicContact CD1-CE3 3.53Å; I748-W763 HydrophobicContact CD1-CZ3 3.51Å
749V83.8Confident79.9Confident120 Ų12060.3 Ų60.373%0.72731%0.307SS*.THydrogen-bonded Turntrans-61.3-24.5179172.20000112.6F745 I747F745-V749 VanDerWaalsContact O-CG2 3.3Å; F745-V749 WeakPolarHBondContact O-CG2 3.47Å; F745-V749 PolarHBondContact O-N 3.04Å; F745-V749 VanDerWaalsContact O-N 3.16Å; I747-V749 VanDerWaalsContact C-N 3.26Å; I747-V749 PolarHBondContact O-N 3.39Å
750R83.4Confident79.6Confident87 Ų8753.2 Ų53.233%0.32828%0.276SS..THydrogen-bonded Turntrans-93.4-7.7-178.5-67.6169.4166.274.33.2113.5D716 L722 S746 I747 I748D716-R750 WeakPolarHBondContact OD1-CD 3.48Å; D716-R750 IonicContact OD1-CZ 3.94Å; D716-R750 IonicContact OD1-NE 3.2Å; D716-R750 PolarHBondContact OD1-NE 3.09Å; D716-R750 IonicContact OD1-NH2 3.14Å; D716-R750 IonicContact OD2-CZ 3.32Å; D716-R750 IonicContact OD2-NE 3.76Å; D716-R750 PolarHBondContact OD2-NE 3.33Å; D716-R750 IonicContact OD2-NH2 2.74Å; D716-R750 PolarHBondContact OD2-NH2 2.99Å; L722-R750 HydrophobicContact CD1-CB 4.05Å; S746-R750 WeakPolarHBondContact O-CD 3.13Å; S746-R750 PolarHBondContact O-NH1 3.39Å; I747-R750 WeakPolarHBondContact O-CB 3.3Å; I747-R750 PolarHBondContact O-N 3.49Å; I748-R750 PolarHBondContact O-N 3.03Å; I748-R750 VanDerWaalsContact O-N 3.17Å
751L81.5Confident79.1Confident17 Ų1759.6 Ų59.69%0.08930%0.299CS..SBendtrans-82.8146.8-178.7-67.8170.7000112.2L722 V727 I747 I748 I755 V759L722-L751 HydrophobicContact CB-CD2 3.76Å; L722-L751 HydrophobicContact CD1-CD2 3.73Å; L722-L751 HydrophobicContact CD1-CG 4.31Å; L722-L751 HydrophobicContact CG-CD2 4.34Å; V727-L751 HydrophobicContact CG1-CD1 3.72Å; V727-L751 HydrophobicContact CG2-CD2 4.11Å; I747-L751 HydrophobicContact CG2-CD1 4.4Å; I747-L751 PolarHBondContact O-N 3.47Å; I748-L751 PolarHBondContact O-N 3.17Å; I748-L751 VanDerWaalsContact O-N 3.15Å; L751-I755 HydrophobicContact CD2-CG2 4.33Å; L751-V759 HydrophobicContact CD1-CG1 4.46Å
752P78.1Confident78.7Confident73 Ų7361.2 Ų61.247%0.47431%0.305SS..  trans-55.8141.6166.1-24.734.8000111.2L754 I755 G756P752-L754 PolarHBondContact O-N 3.16Å; P752-I755 HydrophobicContact CB-CD1 4.44Å; P752-I755 HydrophobicContact CG-CD1 4.13Å; P752-I755 PolarHBondContact O-N 3.31Å; P752-G756 PolarHBondContact O-N 3.02Å
753P70.9Confident78.4Confident102 Ų10256.2 Ų56.266%0.66228%0.283SS*.Hα-helixtrans-53.4-36.5-173-29.234.3000115Q757P753-Q757 WeakPolarHBondContact O-CB 3.44Å; P753-Q757 VanDerWaalsContact O-CG 3.25Å; P753-Q757 WeakPolarHBondContact O-CG 3.38Å; P753-Q757 PolarHBondContact O-N 2.92Å
754L68.4Low78Confident134 Ų13461.8 Ų61.870%0.70231%0.313SS*.Hα-helixtrans-68.2-39.7179.1-66.9173.8000112.8P752 K758P752-L754 PolarHBondContact O-N 3.16Å; L754-K758 PolarHBondContact O-N 3.06Å
755I71.4Confident77.5Confident48 Ų4862.9 Ų62.925%0.24632%0.318CS..Hα-helixtrans-75-43.9178.5-60.4176.3000109.1L751 P752 Q757 K758 V759L751-I755 HydrophobicContact CD2-CG2 4.33Å; P752-I755 HydrophobicContact CB-CD1 4.44Å; P752-I755 HydrophobicContact CG-CD1 4.13Å; P752-I755 PolarHBondContact O-N 3.31Å; I755-Q757 VanDerWaalsContact C-N 3.3Å; I755-Q757 PolarHBondContact O-N 2.99Å; I755-K758 PolarHBondContact O-N 3.34Å; I755-K758 VanDerWaalsContact O-N 3.15Å; I755-V759 HydrophobicContact CG2-CG2 4.04Å; I755-V759 WeakPolarHBondContact O-CB 3.3Å; I755-V759 VanDerWaalsContact O-CG2 3.28Å; I755-V759 WeakPolarHBondContact O-CG2 3.43Å; I755-V759 PolarHBondContact O-N 3.49Å
756G71.6Confident76.9Confident8 Ų862.4 Ų62.48%0.08232%0.322CS..Hα-helixtrans-55.4-43.1175.800000112.6P752 K758 V759 C760P752-G756 PolarHBondContact O-N 3.02Å; G756-K758 PolarHBondContact O-N 3.2Å; G756-V759 PolarHBondContact O-N 3.05Å; G756-C760 WeakPolarHBondContact O-CB 3.22Å; G756-C760 PolarHBondContact O-N 2.85Å; G756-C760 PolarHBondContact O-SG 3.16Å
757Q71.2Confident76.4Confident96 Ų9664.6 Ų64.645%0.44933%0.33SS..Hα-helixtrans-64.2-39.2177.3-77.2175.911.100113.8P753 I755P753-Q757 WeakPolarHBondContact O-CB 3.44Å; P753-Q757 VanDerWaalsContact O-CG 3.25Å; P753-Q757 WeakPolarHBondContact O-CG 3.38Å; P753-Q757 PolarHBondContact O-N 2.92Å; I755-Q757 VanDerWaalsContact C-N 3.3Å; I755-Q757 PolarHBondContact O-N 2.99Å
758K74.8Confident75.9Confident100 Ų10064.6 Ų64.644%0.43533%0.331SS..Hα-helixtrans-66.9-46.1175.1-71.6-178.5176.8-1730111.2E724 L754 I755 G756 C760 R761E724-K758 WeakPolarHBondContact OE1-CD 3.49Å; E724-K758 IonicContact OE1-NZ 2.71Å; E724-K758 PolarHBondContact OE1-NZ 3.47Å; E724-K758 IonicContact OE2-NZ 3.25Å; L754-K758 PolarHBondContact O-N 3.06Å; I755-K758 PolarHBondContact O-N 3.34Å; I755-K758 VanDerWaalsContact O-N 3.15Å; G756-K758 PolarHBondContact O-N 3.2Å; K758-C760 PolarHBondContact O-N 2.95Å; K758-R761 VanDerWaalsContact O-CB 3.31Å; K758-R761 WeakPolarHBondContact O-CB 3.15Å; K758-R761 PolarHBondContact O-N 3.44Å
759V75.5Confident75.6Confident0 Ų064.3 Ų64.30%033%0.33CS..Hα-helixtrans-64.1-40.9-177.5165.30000111.8V727 M731 L751 I755 G756 R761 F762V727-V759 HydrophobicContact CB-CG2 4.29Å; V727-V759 HydrophobicContact CG1-CB 4.13Å; V727-V759 HydrophobicContact CG1-CG1 3.37Å; V727-V759 HydrophobicContact CG1-CG2 3.68Å; M731-V759 HydrophobicContact CE-CG1 3.82Å; M731-V759 HydrophobicContact CG-CG1 3.44Å; M731-V759 VanDerWaalsContact CG-CG1 3.44Å; M731-V759 HydrophobicContact SD-CG1 4.36Å; L751-V759 HydrophobicContact CD1-CG1 4.46Å; I755-V759 HydrophobicContact CG2-CG2 4.04Å; I755-V759 WeakPolarHBondContact O-CB 3.3Å; I755-V759 VanDerWaalsContact O-CG2 3.28Å; I755-V759 WeakPolarHBondContact O-CG2 3.43Å; I755-V759 PolarHBondContact O-N 3.49Å; G756-V759 PolarHBondContact O-N 3.05Å; V759-R761 PolarHBondContact O-N 3.04Å; V759-F762 PolarHBondContact O-N 2.88Å
760C73.3Confident75.3Confident5 Ų560.3 Ų60.33%0.03431%0.305CS..Hα-helixtrans-56.9-24.7177.8-75.70000112.8G756 K758 F762 W763 S768G756-C760 WeakPolarHBondContact O-CB 3.22Å; G756-C760 PolarHBondContact O-N 2.85Å; G756-C760 PolarHBondContact O-SG 3.16Å; K758-C760 PolarHBondContact O-N 2.95Å; C760-F762 PolarHBondContact O-N 3.4Å; C760-W763 PolarHBondContact O-N 3.46Å; C760-S768 WeakPolarHBondContact O-CB 3.3Å
761R74.8Confident74.9Confident158 Ų15858.7 Ų58.760%0.59630%0.302SS*.THydrogen-bonded Turntrans-65.6-26175.6-59.9178.9-179.3-173.9-3.5113.3K758 V759 I772K758-R761 VanDerWaalsContact O-CB 3.31Å; K758-R761 WeakPolarHBondContact O-CB 3.15Å; K758-R761 PolarHBondContact O-N 3.44Å; V759-R761 PolarHBondContact O-N 3.04Å; R761-I772 HydrophobicContact CG-CD1 4.27Å; R761-I772 HydrophobicContact CG-CG1 4.45Å
762F74.9Confident74.7Confident85 Ų8559.4 Ų59.437%0.37331%0.306SS..THydrogen-bonded Turntrans-90-5.1-179.7-59.4-67.2000113.3T728 M731 K732 V759 C760T728-F762 HydrophobicContact CG2-CD1 4.41Å; T728-F762 HydrophobicContact CG2-CD2 3.76Å; T728-F762 HydrophobicContact CG2-CE2 3.95Å; T728-F762 HydrophobicContact CG2-CG 4.01Å; T728-F762 HydrophobicContact CG2-CZ 4.34Å; M731-F762 HydrophobicContact CB-CB 4.22Å; K732-F762 HydrophobicContact CG-CB 4.21Å; V759-F762 PolarHBondContact O-N 2.88Å; C760-F762 PolarHBondContact O-N 3.4Å
763W79.6Confident74.7Confident4 Ų456.3 Ų56.32%0.01529%0.286CS..  trans-101.1112.1178.6-173.120.6000109.6M731 N736 E741 K744 F745 I748 C760 H765 M767 S768M731-W763 HydrophobicContact CB-CB 4.3Å; M731-W763 HydrophobicContact CG-CB 4.4Å; M731-W763 HydrophobicContact SD-CB 4.11Å; M731-W763 HydrophobicContact SD-CD2 4.34Å; M731-W763 HydrophobicContact SD-CG 4.16Å; N736-W763 PolarHBondContact OD1-NE1 3.49Å; E741-W763 HydrophobicContact CG-CZ2 4.44Å; K744-W763 HydrophobicContact CB-CH2 4.24Å; K744-W763 HydrophobicContact CB-CZ2 4.13Å; K744-W763 HydrophobicContact CD-CD2 4.15Å; K744-W763 HydrophobicContact CD-CG 4.32Å; K744-W763 HydrophobicContact CD-CZ2 3.97Å; F745-W763 AromaticContact CD1-CH2 3.96Å; F745-W763 HydrophobicContact CD1-CH2 3.96Å; F745-W763 HydrophobicContact CD1-CZ3 4.16Å; F745-W763 HydrophobicContact CD2-CH2 4.06Å; F745-W763 AromaticContact CE1-CH2 3.64Å; F745-W763 HydrophobicContact CE1-CH2 3.64Å; F745-W763 AromaticContact CE1-CZ3 3.89Å; F745-W763 HydrophobicContact CE1-CZ3 3.89Å; F745-W763 AromaticContact CE2-CH2 3.74Å; F745-W763 HydrophobicContact CE2-CH2 3.74Å; F745-W763 HydrophobicContact CE2-CZ2 4.44Å; F745-W763 HydrophobicContact CG-CH2 4.16Å; F745-W763 AromaticContact CZ-CH2 3.53Å; F745-W763 HydrophobicContact CZ-CH2 3.53Å; F745-W763 HydrophobicContact CZ-CZ2 4.48Å; F745-W763 HydrophobicContact CZ-CZ3 4.21Å; I748-W763 HydrophobicContact CD1-CE3 3.53Å; I748-W763 HydrophobicContact CD1-CZ3 3.51Å; C760-W763 PolarHBondContact O-N 3.46Å; W763-H765 HydrophobicContact CD2-CB 3.71Å; W763-H765 VanDerWaalsContact CE2-CB 3.42Å; W763-H765 AromaticContact CE2-CG 3.76Å; W763-H765 HydrophobicContact CE3-CB 4.28Å; W763-H765 HydrophobicContact CG-CB 4.03Å; W763-H765 HydrophobicContact CH2-CB 4.41Å; W763-H765 AromaticContact CH2-CG 3.98Å; W763-H765 AromaticContact CH2-ND1 3.9Å; W763-H765 HydrophobicContact CZ2-CB 3.82Å; W763-H765 AromaticContact CZ2-CD2 3.77Å; W763-H765 AromaticContact CZ2-CG 3.58Å; W763-H765 AromaticContact CZ2-ND1 3.98Å; W763-H765 PolarHBondContact O-N 2.87Å; W763-H765 VanDerWaalsContact O-N 3.09Å; W763-M767 HydrophobicContact CZ3-SD 4.33Å; W763-S768 WeakPolarHBondContact O-CB 3.33Å; W763-S768 PolarHBondContact O-OG 2.9Å
764D75.1Confident75.1Confident131 Ų13159.8 Ų59.870%0.70129%0.286SS*.  trans-78.888.3174-172.315.5000110N736N736-D764 PolarHBondContact ND2-O 2.75Å
765H77.2Confident75.5Confident27 Ų2756.3 Ų56.313%0.12527%0.268CS..SBendtrans-150.7143.9-177.8-179.8-91.4000110.9E741 F745 W763 M767 S768 S769E741-H765 IonicContact OE1-CD2 2.75Å; E741-H765 PolarHBondContact OE1-CD2 3.5Å; E741-H765 IonicContact OE1-NE2 3.33Å; F745-H765 AromaticContact CZ-CE1 3.72Å; W763-H765 HydrophobicContact CD2-CB 3.71Å; W763-H765 VanDerWaalsContact CE2-CB 3.42Å; W763-H765 AromaticContact CE2-CG 3.76Å; W763-H765 HydrophobicContact CE3-CB 4.28Å; W763-H765 HydrophobicContact CG-CB 4.03Å; W763-H765 HydrophobicContact CH2-CB 4.41Å; W763-H765 AromaticContact CH2-CG 3.98Å; W763-H765 AromaticContact CH2-ND1 3.9Å; W763-H765 HydrophobicContact CZ2-CB 3.82Å; W763-H765 AromaticContact CZ2-CD2 3.77Å; W763-H765 AromaticContact CZ2-CG 3.58Å; W763-H765 AromaticContact CZ2-ND1 3.98Å; W763-H765 PolarHBondContact O-N 2.87Å; W763-H765 VanDerWaalsContact O-N 3.09Å; H765-M767 VanDerWaalsContact ND1-CB 3.3Å; H765-M767 WeakPolarHBondContact ND1-CB 3.34Å; H765-M767 PolarHBondContact ND1-N 3.44Å; H765-M767 VanDerWaalsContact ND1-N 3.17Å; H765-M767 PolarHBondContact O-N 2.89Å; H765-S768 PolarHBondContact N-OG 2.94Å; H765-S768 PolarHBondContact O-N 2.89Å; H765-S768 PolarHBondContact O-OG 3.25Å; H765-S769 PolarHBondContact O-N 2.61Å; H765-S769 PolarHBondContact O-OG 2.87Å
766P73.8Confident75.7Confident61 Ų6154.9 Ų54.940%0.39626%0.26SS..Hα-helixtrans-53.5-30.6-175.5-29.135.2000115.2N770P766-N770 WeakPolarHBondContact O-CB 3.34Å; P766-N770 PolarHBondContact O-N 2.98Å; P766-N770 VanDerWaalsContact O-N 3.11Å
767M74.7Confident76.1Confident75 Ų7555.5 Ų55.537%0.36926%0.262SS..Hα-helixtrans-67.5-41.5176.1-172.6-116-166.800112.9F745 W763 H765 N770 I771F745-M767 HydrophobicContact CE1-CE 4.27Å; F745-M767 HydrophobicContact CE1-CG 4.32Å; F745-M767 HydrophobicContact CE1-SD 3.84Å; W763-M767 HydrophobicContact CZ3-SD 4.33Å; H765-M767 VanDerWaalsContact ND1-CB 3.3Å; H765-M767 WeakPolarHBondContact ND1-CB 3.34Å; H765-M767 PolarHBondContact ND1-N 3.44Å; H765-M767 VanDerWaalsContact ND1-N 3.17Å; H765-M767 PolarHBondContact O-N 2.89Å; M767-N770 PolarHBondContact O-N 3.09Å; M767-I771 HydrophobicContact CE-CD1 3.77Å; M767-I771 HydrophobicContact CG-CD1 4.33Å; M767-I771 WeakPolarHBondContact O-CG1 3.24Å; M767-I771 PolarHBondContact O-N 3.33Å; M767-I771 VanDerWaalsContact O-N 3.1Å; M767-I771 HydrophobicContact SD-CD1 3.77Å
768S76.6Confident76.6Confident2 Ų253.7 Ų53.71%0.01426%0.264CS..Hα-helixtrans-70.6-43.5178.257.40000110.9C760 W763 H765 N770 I771 I772C760-S768 WeakPolarHBondContact O-CB 3.3Å; W763-S768 WeakPolarHBondContact O-CB 3.33Å; W763-S768 PolarHBondContact O-OG 2.9Å; H765-S768 PolarHBondContact N-OG 2.94Å; H765-S768 PolarHBondContact O-N 2.89Å; H765-S768 PolarHBondContact O-OG 3.25Å; S768-N770 PolarHBondContact O-N 3.02Å; S768-I771 PolarHBondContact O-N 3.5Å; S768-I771 VanDerWaalsContact O-N 3.1Å; S768-I772 WeakPolarHBondContact O-CB 3.5Å; S768-I772 WeakPolarHBondContact O-CD1 3.49Å; S768-I772 VanDerWaalsContact O-CG1 3.24Å; S768-I772 WeakPolarHBondContact O-CG1 3.4Å; S768-I772 PolarHBondContact O-N 2.98Å
769S77.1Confident76.7Confident17 Ų1754.5 Ų54.512%0.11927%0.269CS..Hα-helixtrans-55.9-40.4174.9-49.10000111.5H765 S773H765-S769 PolarHBondContact O-N 2.61Å; H765-S769 PolarHBondContact O-OG 2.87Å; S769-S773 VanDerWaalsContact O-CB 3.24Å; S769-S773 WeakPolarHBondContact O-CB 3.3Å; S769-S773 PolarHBondContact O-N 3.4Å; S769-S773 PolarHBondContact O-OG 3.47Å
770N76.7Confident76.7Confident37 Ų3755.5 Ų55.520%0.19827%0.274CS..Hα-helixtrans-65.9-45.7175.8-169.1-17000112.1P766 M767 S768 I772 S773 R774P766-N770 WeakPolarHBondContact O-CB 3.34Å; P766-N770 PolarHBondContact O-N 2.98Å; P766-N770 VanDerWaalsContact O-N 3.11Å; M767-N770 PolarHBondContact O-N 3.09Å; S768-N770 PolarHBondContact O-N 3.02Å; N770-I772 PolarHBondContact O-N 3Å; N770-S773 PolarHBondContact O-N 3.11Å; N770-R774 WeakPolarHBondContact O-CB 3.44Å; N770-R774 VanDerWaalsContact O-CG 3.26Å; N770-R774 WeakPolarHBondContact O-CG 3.33Å; N770-R774 PolarHBondContact O-N 3.1Å; N770-R774 WeakPolarHBondContact OD1-CD 3.24Å
771I76.3Confident77Confident53 Ų5358.4 Ų58.427%0.27229%0.29SS..Hα-helixtrans-62-44.6177.1-68.5166.5000111.3M767 S768 R774 N775M767-I771 HydrophobicContact CE-CD1 3.77Å; M767-I771 HydrophobicContact CG-CD1 4.33Å; M767-I771 WeakPolarHBondContact O-CG1 3.24Å; M767-I771 PolarHBondContact O-N 3.33Å; M767-I771 VanDerWaalsContact O-N 3.1Å; M767-I771 HydrophobicContact SD-CD1 3.77Å; S768-I771 PolarHBondContact O-N 3.5Å; S768-I771 VanDerWaalsContact O-N 3.1Å; I771-R774 PolarHBondContact O-N 3.28Å; I771-N775 WeakPolarHBondContact O-CB 3.35Å; I771-N775 VanDerWaalsContact O-CG 3.27Å; I771-N775 PolarHBondContact O-N 2.71Å; I771-N775 PolarHBondContact O-ND2 3.11Å
772I76.3Confident77Confident32 Ų3259.1 Ų59.116%0.16430%0.297CS..Hα-helixtrans-62.2-49.4178.7-66.1163.5000109.9R761 S768 N770 R774 N775 H776 V831 F835R761-I772 HydrophobicContact CG-CD1 4.27Å; R761-I772 HydrophobicContact CG-CG1 4.45Å; S768-I772 WeakPolarHBondContact O-CB 3.5Å; S768-I772 WeakPolarHBondContact O-CD1 3.49Å; S768-I772 VanDerWaalsContact O-CG1 3.24Å; S768-I772 WeakPolarHBondContact O-CG1 3.4Å; S768-I772 PolarHBondContact O-N 2.98Å; N770-I772 PolarHBondContact O-N 3Å; I772-R774 PolarHBondContact O-N 3.49Å; I772-N775 PolarHBondContact O-N 2.92Å; I772-H776 WeakPolarHBondContact O-CB 3.45Å; I772-H776 PolarHBondContact O-N 3.44Å; I772-V831 HydrophobicContact CG2-CG1 4.18Å; I772-V831 HydrophobicContact CG2-CG2 3.69Å; I772-F835 HydrophobicContact CB-CE1 4.38Å; I772-F835 HydrophobicContact CG2-CE1 4.01Å
773S77.9Confident76.5Confident8 Ų860.9 Ų60.96%0.05631%0.31CS..Hα-helixtrans-59.1-45.2178.6-61.10000112.1S769 N770 N775 H776 V777 A839S769-S773 VanDerWaalsContact O-CB 3.24Å; S769-S773 WeakPolarHBondContact O-CB 3.3Å; S769-S773 PolarHBondContact O-N 3.4Å; S769-S773 PolarHBondContact O-OG 3.47Å; N770-S773 PolarHBondContact O-N 3.11Å; S773-N775 PolarHBondContact O-N 2.87Å; S773-H776 PolarHBondContact O-N 3.49Å; S773-V777 WeakPolarHBondContact O-CB 3.24Å; S773-V777 VanDerWaalsContact O-CG2 3.26Å; S773-V777 WeakPolarHBondContact O-CG2 3.48Å; S773-V777 PolarHBondContact O-N 3.1Å; S773-A839 WeakPolarHBondContact OG-CB 3.48Å
774R79.4Confident76Confident174 Ų17465.1 Ų65.166%0.65733%0.327SS*.Hα-helixtrans-65.8-38.2178.6-71.4177.579.51618.7112.5N770 I771 I772 A778N770-R774 WeakPolarHBondContact O-CB 3.44Å; N770-R774 VanDerWaalsContact O-CG 3.26Å; N770-R774 WeakPolarHBondContact O-CG 3.33Å; N770-R774 PolarHBondContact O-N 3.1Å; N770-R774 WeakPolarHBondContact OD1-CD 3.24Å; I771-R774 PolarHBondContact O-N 3.28Å; I772-R774 PolarHBondContact O-N 3.49Å; R774-A778 WeakPolarHBondContact O-CB 3.43Å; R774-A778 PolarHBondContact O-N 3.42Å
775N76.7Confident75.5Confident62 Ų6267.3 Ų67.333%0.33233%0.33SS..Hα-helixtrans-68.2-42176.7-75-23.1000111.7I771 I772 S773 A778 Q779I771-N775 WeakPolarHBondContact O-CB 3.35Å; I771-N775 VanDerWaalsContact O-CG 3.27Å; I771-N775 PolarHBondContact O-N 2.71Å; I771-N775 PolarHBondContact O-ND2 3.11Å; I772-N775 PolarHBondContact O-N 2.92Å; S773-N775 PolarHBondContact O-N 2.87Å; N775-A778 PolarHBondContact O-N 3.29Å; N775-Q779 VanDerWaalsContact O-CG 3.32Å; N775-Q779 WeakPolarHBondContact O-CG 3.25Å; N775-Q779 PolarHBondContact O-N 3.04Å
776H77Confident74.7Confident18 Ų1874.9 Ų74.98%0.08336%0.363CS..Hα-helixtrans-60.1-51.2175.4-176.163.9000111.5I772 S773 A778 Q779 L780 E816 V831I772-H776 WeakPolarHBondContact O-CB 3.45Å; I772-H776 PolarHBondContact O-N 3.44Å; S773-H776 PolarHBondContact O-N 3.49Å; H776-A778 VanDerWaalsContact C-N 3.35Å; H776-A778 PolarHBondContact O-N 3.15Å; H776-Q779 WeakPolarHBondContact O-CB 3.5Å; H776-Q779 PolarHBondContact O-N 3.14Å; H776-Q779 VanDerWaalsContact O-N 3.12Å; H776-L780 WeakPolarHBondContact NE2-CD1 3.49Å; H776-L780 PolarHBondContact O-N 3.47Å; H776-E816 IonicContact CD2-OE1 3.7Å; H776-E816 IonicContact CE1-OE1 3.74Å; H776-E816 IonicContact NE2-OE1 2.76Å; H776-E816 PolarHBondContact NE2-OE1 3.12Å; H776-V831 HydrophobicContact CB-CG1 3.95Å; H776-V831 PolarHBondContact CE1-O 3.08Å; H776-V831 PolarHBondContact NE2-O 2.9Å
777V80.1Confident73.9Confident20 Ų2079.5 Ų79.512%0.12138%0.379CS..Hα-helixtrans-57.2-46.2174.11670000111.6S773 Q779 L780 L781 F808 L812 V836S773-V777 WeakPolarHBondContact O-CB 3.24Å; S773-V777 VanDerWaalsContact O-CG2 3.26Å; S773-V777 WeakPolarHBondContact O-CG2 3.48Å; S773-V777 PolarHBondContact O-N 3.1Å; V777-Q779 VanDerWaalsContact C-N 3.26Å; V777-Q779 PolarHBondContact O-N 3.5Å; V777-L780 PolarHBondContact O-N 2.96Å; V777-L781 HydrophobicContact CG1-CD1 3.54Å; V777-L781 HydrophobicContact CG1-CG 4.17Å; V777-L781 VanDerWaalsContact O-CB 3.31Å; V777-L781 WeakPolarHBondContact O-CB 3.19Å; V777-L781 VanDerWaalsContact O-CG 3.26Å; V777-L781 WeakPolarHBondContact O-CG 3.38Å; V777-L781 PolarHBondContact O-N 3.05Å; V777-F808 HydrophobicContact CG1-CE2 4.5Å; V777-F808 HydrophobicContact CG1-CZ 3.72Å; V777-F808 HydrophobicContact CG2-CE1 4.23Å; V777-F808 HydrophobicContact CG2-CZ 4.01Å; V777-L812 HydrophobicContact CG2-CD1 3.77Å; V777-L812 HydrophobicContact CG2-CD2 4.17Å; V777-V836 HydrophobicContact CG2-CG1 4.04Å; V777-V836 HydrophobicContact CG2-CG2 4.32Å
778A80.9Confident72.7Confident59 Ų5981.8 Ų81.849%0.48840%0.399SS..Hα-helixtrans-62.6-33.8179.300000112.4R774 N775 H776 K782R774-A778 WeakPolarHBondContact O-CB 3.43Å; R774-A778 PolarHBondContact O-N 3.42Å; N775-A778 PolarHBondContact O-N 3.29Å; H776-A778 VanDerWaalsContact C-N 3.35Å; H776-A778 PolarHBondContact O-N 3.15Å; A778-K782 WeakPolarHBondContact O-CB 3.47Å; A778-K782 PolarHBondContact O-N 3.29Å
779Q76.4Confident71.4Confident117 Ų11789.4 Ų89.455%0.54743%0.428SS..Hα-helixtrans-70.2-48.6174.6-74.5176.81.400111.8N775 H776 V777 L781 K782N775-Q779 VanDerWaalsContact O-CG 3.32Å; N775-Q779 WeakPolarHBondContact O-CG 3.25Å; N775-Q779 PolarHBondContact O-N 3.04Å; H776-Q779 WeakPolarHBondContact O-CB 3.5Å; H776-Q779 PolarHBondContact O-N 3.14Å; H776-Q779 VanDerWaalsContact O-N 3.12Å; V777-Q779 VanDerWaalsContact C-N 3.26Å; V777-Q779 PolarHBondContact O-N 3.5Å; Q779-L781 VanDerWaalsContact C-N 3.31Å; Q779-L781 PolarHBondContact O-N 3.27Å; Q779-K782 VanDerWaalsContact O-CB 3.27Å; Q779-K782 WeakPolarHBondContact O-CB 3.37Å; Q779-K782 PolarHBondContact O-N 2.84Å
780L76.9Confident69.8Low20 Ų2096.1 Ų96.111%0.10546%0.462CS..Hα-helixtrans-61.1-40177.8-71.8175.2000112.1H776 V777 K782 L812 E816H776-L780 WeakPolarHBondContact NE2-CD1 3.49Å; H776-L780 PolarHBondContact O-N 3.47Å; V777-L780 PolarHBondContact O-N 2.96Å; L780-K782 VanDerWaalsContact C-N 3.32Å; L780-K782 PolarHBondContact O-N 3.44Å; L780-L812 HydrophobicContact CD1-CD2 4.11Å; L780-E816 HydrophobicContact CD1-CG 3.71Å; L780-E816 HydrophobicContact CD2-CG 4.18Å
781L78.3Confident68.1Low67 Ų67100.1 Ų100.135%0.35149%0.493SS..Hα-helixtrans-78.8-12.2179.9-65.4178.5000113.7V777 Q779 N783 Y784 L815V777-L781 HydrophobicContact CG1-CD1 3.54Å; V777-L781 HydrophobicContact CG1-CG 4.17Å; V777-L781 VanDerWaalsContact O-CB 3.31Å; V777-L781 WeakPolarHBondContact O-CB 3.19Å; V777-L781 VanDerWaalsContact O-CG 3.26Å; V777-L781 WeakPolarHBondContact O-CG 3.38Å; V777-L781 PolarHBondContact O-N 3.05Å; Q779-L781 VanDerWaalsContact C-N 3.31Å; Q779-L781 PolarHBondContact O-N 3.27Å; L781-N783 PolarHBondContact O-N 3.36Å; L781-Y784 HydrophobicContact CD2-CD1 4.33Å; L781-Y784 HydrophobicContact CD2-CG 4.25Å; L781-Y784 WeakPolarHBondContact O-CB 3.48Å; L781-Y784 PolarHBondContact O-N 3.29Å; L781-Y784 VanDerWaalsContact O-N 3.14Å; L781-L815 HydrophobicContact CD2-CD1 4.06Å
782K75.1Confident66.7Low173 Ų173106.4 Ų106.475%0.75252%0.524SS*.THydrogen-bonded Turntrans-60.5-33-175.5-166.4173.9179.1-179.50113.2A778 Q779 L780A778-K782 WeakPolarHBondContact O-CB 3.47Å; A778-K782 PolarHBondContact O-N 3.29Å; Q779-K782 VanDerWaalsContact O-CB 3.27Å; Q779-K782 WeakPolarHBondContact O-CB 3.37Å; Q779-K782 PolarHBondContact O-N 2.84Å; L780-K782 VanDerWaalsContact C-N 3.32Å; L780-K782 PolarHBondContact O-N 3.44Å
783N65.5Low65.3Low121 Ų121109.4 Ų109.465%0.64754%0.539SS*.THydrogen-bonded Turntrans-109.55.8178.9-65.9-23.8000112.9L781 K785L781-N783 PolarHBondContact O-N 3.36Å; N783-K785 PolarHBondContact O-N 3.2Å
784Y68.8Low63.5Low93 Ų93111.6 Ų111.637%0.36556%0.563SS.*  trans-70.2114.8-177.4-179-109.6000110.9L781 K786 L815L781-Y784 HydrophobicContact CD2-CD1 4.33Å; L781-Y784 HydrophobicContact CD2-CG 4.25Å; L781-Y784 WeakPolarHBondContact O-CB 3.48Å; L781-Y784 PolarHBondContact O-N 3.29Å; L781-Y784 VanDerWaalsContact O-N 3.14Å; Y784-K786 HydrophobicContact CE1-CB 4.19Å; Y784-K786 HydrophobicContact CE1-CG 4.47Å; Y784-L815 HydrophobicContact CD2-CD1 3.77Å; Y784-L815 HydrophobicContact CD2-CD2 3.5Å; Y784-L815 HydrophobicContact CD2-CG 4.21Å; Y784-L815 HydrophobicContact CE2-CD1 4.21Å; Y784-L815 HydrophobicContact CE2-CD2 3.92Å; Y784-L815 HydrophobicContact CE2-CG 4.47Å; Y784-L815 HydrophobicContact CG-CD1 4.34Å
785K64.3Low62.2Low178 Ų178113.7 Ų113.777%0.77458%0.576SS**  trans-95.9124.2165.4-69.1-176.6-179.7177.30107.7N783 E787N783-K785 PolarHBondContact O-N 3.2Å; K785-E787 VanDerWaalsContact C-N 3.35Å; K785-E787 PolarHBondContact O-N 3.2Å
786K59.8Low60.7Low186 Ų186114.4 Ų114.481%0.80959%0.586SS**  trans-64.693.6178.1-166.9-179.8-173179.50109.3Y784Y784-K786 HydrophobicContact CE1-CB 4.19Å; Y784-K786 HydrophobicContact CE1-CG 4.47Å
787E58.1Low59.4Low158 Ų158119.4 Ų119.474%0.73862%0.624SS**  trans-78.1133.6164.6-70.9-161.7164.400109.1K785 R789K785-E787 VanDerWaalsContact C-N 3.35Å; K785-E787 PolarHBondContact O-N 3.2Å; E787-R789 PolarHBondContact O-N 3.39Å
788P48Very low57.8Low122 Ų122123.4 Ų123.479%0.79264%0.639SS**  trans-67.798.5174.526.4-30.1000109.1N790P788-N790 PolarHBondContact O-N 2.94Å
789R50.6Low56.4Low163 Ų163125 Ų12562%0.61565%0.645SS**  trans-65.8122.3167.2-90.6-176.1174179.7-1.9108.7E787 S791E787-R789 PolarHBondContact O-N 3.39Å; R789-S791 PolarHBondContact O-N 3.26Å
790N42.3Very low55.4Low157 Ų157125.5 Ų125.584%0.8466%0.656SS**  trans-60.5126.1168.5-80.4-27.1000109.1P788 M792P788-N790 PolarHBondContact O-N 2.94Å; N790-M792 PolarHBondContact O-N 3.22Å
791S42Very low54.5Low122 Ų122131.3 Ų131.385%0.85368%0.682SS**SBendtrans-69.272.2178.251.90000111.8R789R789-S791 PolarHBondContact O-N 3.26Å
792M45.9Very low53.8Low184 Ų184133.6 Ų133.691%0.90669%0.69SS**  trans-132.973.1160.3-99.8-171.9169.900108.4N790 G794N790-M792 PolarHBondContact O-N 3.22Å; M792-G794 PolarHBondContact O-N 3.19Å
793I46.5Very low53.4Low96 Ų96130.9 Ų130.949%0.49268%0.683SS.*  trans-79.6112.1159.9-66.7172.7000105.9F798I793-F798 HydrophobicContact CG2-CE2 3.92Å; I793-F798 HydrophobicContact CG2-CZ 3.71Å
794G41.9Very low54Low53 Ų53130.2 Ų130.255%0.54669%0.685SS.*  trans-57.6139.6170.600000110.1M792 S796M792-G794 PolarHBondContact O-N 3.19Å; G794-S796 PolarHBondContact O-N 3.46Å
795K50.8Low54.5Low218 Ų218127.2 Ų127.295%0.94868%0.675SS**  trans-56.2102.8171-71.7171.6173.31770109.5
796S45.1Very low55.1Low77 Ų77120 Ų12054%0.53865%0.646SS.*  trans-140.5112.1160.955.20000110G794 F798G794-S796 PolarHBondContact O-N 3.46Å; S796-F798 PolarHBondContact O-N 3.39Å; S796-F798 VanDerWaalsContact O-N 3.13Å
797S49.4Very low55.9Low124 Ų124118 Ų11887%0.86763%0.634SS**  trans3659.8155.457.20000117.3
798F48.1Very low57Low103 Ų103114 Ų11445%0.45261%0.614SS.*  trans-82.4132.9167-64.7-75.2000109.8I793 S796 T800I793-F798 HydrophobicContact CG2-CE2 3.92Å; I793-F798 HydrophobicContact CG2-CZ 3.71Å; S796-F798 PolarHBondContact O-N 3.39Å; S796-F798 VanDerWaalsContact O-N 3.13Å; F798-T800 PolarHBondContact O-N 3.19Å
799P51.9Low58.6Low92 Ų92108.9 Ų108.960%0.59758%0.58SS**  trans-59.6127.1154.8-11.626.2000107.6E801 N806P799-E801 PolarHBondContact O-N 3.47Å; P799-E801 VanDerWaalsContact O-N 3.15Å; P799-N806 PolarHBondContact O-ND2 2.94Å
800T53.7Low59.9Low128 Ų128104.6 Ų104.679%0.78557%0.567SS**SBendtrans-72.3-2-177.4-24.80000113.1F798F798-T800 PolarHBondContact O-N 3.19Å
801E57.9Low61.6Low142 Ų14298.1 Ų98.166%0.66453%0.533SS*.SBendtrans-86.3134.4179.8-68.2179.7172.700110.2P799 N806P799-E801 PolarHBondContact O-N 3.47Å; P799-E801 VanDerWaalsContact O-N 3.15Å; E801-N806 PolarHBondContact O-ND2 3.04Å
802F64.8Low63.3Low116 Ų11692.3 Ų92.351%0.50949%0.492SS..  trans59.344.9175.8-50.5-79000116.9P804 L805 N806 L841F802-P804 VanDerWaalsContact C-CD 3.45Å; F802-P804 VanDerWaalsContact C-N 3.35Å; F802-L805 HydrophobicContact CB-CB 3.96Å; F802-L805 HydrophobicContact CB-CD2 4.37Å; F802-L805 WeakPolarHBondContact O-CA 3.34Å; F802-L805 WeakPolarHBondContact O-CB 3.45Å; F802-L805 PolarHBondContact O-N 2.79Å; F802-N806 PolarHBondContact O-N 2.93Å; F802-N806 PolarHBondContact O-OD1 3.39Å; F802-L841 HydrophobicContact CD2-CD2 3.97Å; F802-L841 HydrophobicContact CE2-CD2 3.98Å; F802-L841 HydrophobicContact CG-CD2 4.28Å; F802-L841 HydrophobicContact CZ-CD2 4.29Å
803L67.2Low64.8Low115 Ų11586.8 Ų86.860%0.60247%0.469SS*.Hα-helixtrans-38.5-46.5176.4-86.6157.7000116.5N806 Y807L803-N806 PolarHBondContact O-N 3.42Å; L803-Y807 PolarHBondContact O-N 3.47Å; L803-Y807 VanDerWaalsContact O-N 3.13Å
804P77.8Confident66.1Low107 Ų10783.4 Ų83.470%0.69546%0.458SS*.Hα-helixtrans-66-34.7177.4-22.334.8000113.9F802 F808F802-P804 VanDerWaalsContact C-CD 3.45Å; F802-P804 VanDerWaalsContact C-N 3.35Å; P804-F808 WeakPolarHBondContact O-CB 3.45Å; P804-F808 PolarHBondContact O-N 2.92Å
805L78.9Confident67.7Low30 Ų3081.9 Ų81.916%0.15744%0.437CS..Hα-helixtrans-69.5-48.9176.2-17661.2000109.3F802 Y807 F808 I809 E837 A840 L841F802-L805 HydrophobicContact CB-CB 3.96Å; F802-L805 HydrophobicContact CB-CD2 4.37Å; F802-L805 WeakPolarHBondContact O-CA 3.34Å; F802-L805 WeakPolarHBondContact O-CB 3.45Å; F802-L805 PolarHBondContact O-N 2.79Å; L805-Y807 VanDerWaalsContact C-N 3.29Å; L805-Y807 PolarHBondContact O-N 3.47Å; L805-F808 CarbonylContact O-C 3.49Å; L805-F808 WeakPolarHBondContact O-CA 3.26Å; L805-F808 WeakPolarHBondContact O-CB 3.4Å; L805-F808 PolarHBondContact O-N 3.3Å; L805-I809 HydrophobicContact CD1-CD1 4.14Å; L805-I809 HydrophobicContact CD1-CG1 4.11Å; L805-I809 HydrophobicContact CG-CG1 4.2Å; L805-I809 WeakPolarHBondContact O-CG1 3.48Å; L805-I809 PolarHBondContact O-N 2.95Å; L805-E837 HydrophobicContact CD2-CG 3.97Å; L805-E837 HydrophobicContact CG-CG 4.27Å; L805-A840 HydrophobicContact CD1-CB 3.99Å; L805-A840 HydrophobicContact CD2-CB 4.46Å; L805-L841 HydrophobicContact CD2-CD2 3.78Å; L805-L841 HydrophobicContact CD2-CG 3.92Å
806N75.6Confident68.8Low28 Ų2872.9 Ų72.915%0.1540%0.398CS..Hα-helixtrans-57.4-42.1-179.3-58.5-5.2000112P799 E801 F802 L803 E810P799-N806 PolarHBondContact O-ND2 2.94Å; E801-N806 PolarHBondContact O-ND2 3.04Å; F802-N806 PolarHBondContact O-N 2.93Å; F802-N806 PolarHBondContact O-OD1 3.39Å; L803-N806 PolarHBondContact O-N 3.42Å; N806-E810 WeakPolarHBondContact O-CB 3.46Å; N806-E810 PolarHBondContact O-N 3.32Å
807Y77.8Confident69.9Low142 Ų14273.1 Ų73.156%0.55740%0.4SS*.Hα-helixtrans-64.8-39.6175.1179.3-93.2000112.8L803 L805 T811L803-Y807 PolarHBondContact O-N 3.47Å; L803-Y807 VanDerWaalsContact O-N 3.13Å; L805-Y807 VanDerWaalsContact C-N 3.29Å; L805-Y807 PolarHBondContact O-N 3.47Å; Y807-T811 PolarHBondContact O-N 3.35Å; Y807-T811 VanDerWaalsContact O-N 3.16Å; Y807-T811 PolarHBondContact O-OG1 3.43Å
808F81.6Confident70.7Confident76 Ų7670.5 Ų70.533%0.33338%0.382SS..Hα-helixtrans-67.7-44.8178.6-179.5-113.4000111.6V777 P804 L805 T811 L812 V836V777-F808 HydrophobicContact CG1-CE2 4.5Å; V777-F808 HydrophobicContact CG1-CZ 3.72Å; V777-F808 HydrophobicContact CG2-CE1 4.23Å; V777-F808 HydrophobicContact CG2-CZ 4.01Å; P804-F808 WeakPolarHBondContact O-CB 3.45Å; P804-F808 PolarHBondContact O-N 2.92Å; L805-F808 CarbonylContact O-C 3.49Å; L805-F808 WeakPolarHBondContact O-CA 3.26Å; L805-F808 WeakPolarHBondContact O-CB 3.4Å; L805-F808 PolarHBondContact O-N 3.3Å; F808-T811 WeakPolarHBondContact O-CB 3.26Å; F808-T811 PolarHBondContact O-N 3.08Å; F808-L812 HydrophobicContact CD1-CD1 3.96Å; F808-L812 HydrophobicContact CE1-CD1 3.47Å; F808-L812 VanDerWaalsContact CE1-CD1 3.47Å; F808-L812 HydrophobicContact CE1-CG 4.26Å; F808-L812 HydrophobicContact CE2-CD1 4.43Å; F808-L812 HydrophobicContact CE2-CD2 4.45Å; F808-L812 HydrophobicContact CE2-CG 4.38Å; F808-L812 HydrophobicContact CZ-CD1 3.73Å; F808-L812 HydrophobicContact CZ-CD2 4.23Å; F808-L812 HydrophobicContact CZ-CG 4.13Å; F808-L812 WeakPolarHBondContact O-CG 3.42Å; F808-L812 PolarHBondContact O-N 3.08Å; F808-V836 HydrophobicContact CE1-CG1 4.39Å
809I81.8Confident71.2Confident13 Ų1368.5 Ų68.57%0.06737%0.374CS..Hα-helixtrans-60.7-48.8176.2-62.1-48.7000110.5L805 T811 L812 T813 A833 V836 E837L805-I809 HydrophobicContact CD1-CD1 4.14Å; L805-I809 HydrophobicContact CD1-CG1 4.11Å; L805-I809 HydrophobicContact CG-CG1 4.2Å; L805-I809 WeakPolarHBondContact O-CG1 3.48Å; L805-I809 PolarHBondContact O-N 2.95Å; I809-T811 PolarHBondContact O-N 3.24Å; I809-L812 HydrophobicContact CD1-CD1 4.34Å; I809-L812 CarbonylContact O-C 3.55Å; I809-L812 WeakPolarHBondContact O-CA 3.42Å; I809-L812 WeakPolarHBondContact O-CB 3.13Å; I809-L812 PolarHBondContact O-N 3.01Å; I809-T813 PolarHBondContact O-N 3.43Å; I809-T813 PolarHBondContact O-OG1 3.41Å; I809-A833 WeakPolarHBondContact CD1-O 3.32Å; I809-A833 HydrophobicContact CG2-CB 3.99Å; I809-V836 HydrophobicContact CD1-CB 4.34Å; I809-V836 HydrophobicContact CD1-CG1 4.17Å; I809-E837 HydrophobicContact CD1-CB 3.83Å; I809-E837 HydrophobicContact CD1-CG 4.44Å; I809-E837 HydrophobicContact CG1-CB 3.84Å; I809-E837 HydrophobicContact CG1-CG 3.98Å
810E76.8Confident71.3Confident73 Ų7371.6 Ų71.634%0.34138%0.38SS..Hα-helixtrans-57-36.6176.8-169.9-170162.500112.7N806 G814N806-E810 WeakPolarHBondContact O-CB 3.46Å; N806-E810 PolarHBondContact O-N 3.32Å; E810-G814 PolarHBondContact O-N 3.04Å
811T77.7Confident70.8Confident21 Ų2170 Ų7013%0.12938%0.38CS..Hα-helixtrans-66.7-42175.5-56.20000111.2Y807 F808 I809 L815Y807-T811 PolarHBondContact O-N 3.35Å; Y807-T811 VanDerWaalsContact O-N 3.16Å; Y807-T811 PolarHBondContact O-OG1 3.43Å; F808-T811 WeakPolarHBondContact O-CB 3.26Å; F808-T811 PolarHBondContact O-N 3.08Å; I809-T811 PolarHBondContact O-N 3.24Å; T811-L815 HydrophobicContact CG2-CD1 4.47Å; T811-L815 WeakPolarHBondContact O-CG 3.41Å; T811-L815 PolarHBondContact O-N 2.84Å; T811-L815 VanDerWaalsContact O-N 3.13Å
812L78.1Confident70.2Confident1 Ų170 Ų701%0.00538%0.383CS..Hα-helixtrans-66.9-46.2176.2-67.9176.1000112V777 L780 F808 I809 G814 L815 E816 A833 V836V777-L812 HydrophobicContact CG2-CD1 3.77Å; V777-L812 HydrophobicContact CG2-CD2 4.17Å; L780-L812 HydrophobicContact CD1-CD2 4.11Å; F808-L812 HydrophobicContact CD1-CD1 3.96Å; F808-L812 HydrophobicContact CE1-CD1 3.47Å; F808-L812 VanDerWaalsContact CE1-CD1 3.47Å; F808-L812 HydrophobicContact CE1-CG 4.26Å; F808-L812 HydrophobicContact CE2-CD1 4.43Å; F808-L812 HydrophobicContact CE2-CD2 4.45Å; F808-L812 HydrophobicContact CE2-CG 4.38Å; F808-L812 HydrophobicContact CZ-CD1 3.73Å; F808-L812 HydrophobicContact CZ-CD2 4.23Å; F808-L812 HydrophobicContact CZ-CG 4.13Å; F808-L812 WeakPolarHBondContact O-CG 3.42Å; F808-L812 PolarHBondContact O-N 3.08Å; I809-L812 HydrophobicContact CD1-CD1 4.34Å; I809-L812 CarbonylContact O-C 3.55Å; I809-L812 WeakPolarHBondContact O-CA 3.42Å; I809-L812 WeakPolarHBondContact O-CB 3.13Å; I809-L812 PolarHBondContact O-N 3.01Å; L812-G814 PolarHBondContact O-N 3.04Å; L812-L815 CarbonylContact O-C 3.49Å; L812-L815 WeakPolarHBondContact O-CA 3.43Å; L812-L815 WeakPolarHBondContact O-CB 3.4Å; L812-L815 PolarHBondContact O-N 2.86Å; L812-E816 WeakPolarHBondContact O-CG 3.35Å; L812-E816 PolarHBondContact O-N 2.76Å; L812-A833 HydrophobicContact CB-CB 4.01Å; L812-V836 HydrophobicContact CD1-CG1 4.06Å
813T77.7Confident69Low67 Ų6768 Ų6841%0.41138%0.383SS..Hα-helixtrans-60.6-37177.3-31.90000111.3I809 L815 S817 A833I809-T813 PolarHBondContact O-N 3.43Å; I809-T813 PolarHBondContact O-OG1 3.41Å; T813-L815 VanDerWaalsContact C-N 3.34Å; T813-L815 PolarHBondContact O-N 2.95Å; T813-S817 WeakPolarHBondContact O-CB 3.48Å; T813-S817 PolarHBondContact O-N 3.39Å; T813-S817 VanDerWaalsContact O-N 3.09Å; T813-S817 PolarHBondContact O-OG 3.34Å; T813-A833 WeakPolarHBondContact OG1-CB 3.31Å
814G73.9Confident67.6Low25 Ų2570.5 Ų70.526%0.25840%0.397SS..Hα-helixtrans-65.3-32.6172.600000113.8E810 L812 S817E810-G814 PolarHBondContact O-N 3.04Å; L812-G814 PolarHBondContact O-N 3.04Å; G814-S817 PolarHBondContact O-OG 2.96Å; G814-S817 VanDerWaalsContact O-OG 3.08Å
815L75.2Confident65.9Low21 Ų2173.9 Ų73.911%0.1140%0.401CS..Hα-helixtrans-78.2-42175.5-70.5169.3000112.1L781 Y784 T811 L812 T813 S818 H819L781-L815 HydrophobicContact CD2-CD1 4.06Å; Y784-L815 HydrophobicContact CD2-CD1 3.77Å; Y784-L815 HydrophobicContact CD2-CD2 3.5Å; Y784-L815 HydrophobicContact CD2-CG 4.21Å; Y784-L815 HydrophobicContact CE2-CD1 4.21Å; Y784-L815 HydrophobicContact CE2-CD2 3.92Å; Y784-L815 HydrophobicContact CE2-CG 4.47Å; Y784-L815 HydrophobicContact CG-CD1 4.34Å; T811-L815 HydrophobicContact CG2-CD1 4.47Å; T811-L815 WeakPolarHBondContact O-CG 3.41Å; T811-L815 PolarHBondContact O-N 2.84Å; T811-L815 VanDerWaalsContact O-N 3.13Å; L812-L815 CarbonylContact O-C 3.49Å; L812-L815 WeakPolarHBondContact O-CA 3.43Å; L812-L815 WeakPolarHBondContact O-CB 3.4Å; L812-L815 PolarHBondContact O-N 2.86Å; T813-L815 VanDerWaalsContact C-N 3.34Å; T813-L815 PolarHBondContact O-N 2.95Å; L815-S818 PolarHBondContact O-N 3.34Å; L815-S818 VanDerWaalsContact O-N 3.16Å; L815-S818 PolarHBondContact O-OG 3.33Å; L815-H819 WeakPolarHBondContact O-CB 3.35Å; L815-H819 PolarHBondContact O-N 2.88Å
816E74.2Confident63.9Low29 Ų2982.1 Ų82.114%0.13644%0.439CS..Hα-helixtrans-57.3-51176.6-72.9173166.900110.8H776 L780 L812 S818 H819 Q820 A833H776-E816 IonicContact CD2-OE1 3.7Å; H776-E816 IonicContact CE1-OE1 3.74Å; H776-E816 IonicContact NE2-OE1 2.76Å; H776-E816 PolarHBondContact NE2-OE1 3.12Å; L780-E816 HydrophobicContact CD1-CG 3.71Å; L780-E816 HydrophobicContact CD2-CG 4.18Å; L812-E816 WeakPolarHBondContact O-CG 3.35Å; L812-E816 PolarHBondContact O-N 2.76Å; E816-S818 PolarHBondContact O-N 2.9Å; E816-S818 VanDerWaalsContact O-N 3.16Å; E816-H819 PolarHBondContact O-N 3.13Å; E816-H819 VanDerWaalsContact O-N 3.08Å; E816-Q820 WeakPolarHBondContact O-CB 3.47Å; E816-Q820 PolarHBondContact O-N 3.08Å; E816-A833 PolarHBondContact OE1-N 3.15Å; E816-A833 VanDerWaalsContact OE1-N 3.08Å; E816-A833 WeakPolarHBondContact OE2-CB 3.26Å; E816-A833 PolarHBondContact OE2-N 3.2Å; E816-A833 VanDerWaalsContact OE2-N 3.08Å
817S69.1Low62.4Low83 Ų8383.7 Ų83.758%0.5846%0.462SS*.Hα-helixtrans-59.8-26.7177.355.40000114.4T813 G814T813-S817 WeakPolarHBondContact O-CB 3.48Å; T813-S817 PolarHBondContact O-N 3.39Å; T813-S817 VanDerWaalsContact O-N 3.09Å; T813-S817 PolarHBondContact O-OG 3.34Å; G814-S817 PolarHBondContact O-OG 2.96Å; G814-S817 VanDerWaalsContact O-OG 3.08Å
818S65.5Low61Low69 Ų6983.1 Ų83.148%0.48346%0.464SS..Hα-helixtrans-84.9-30.4175.3740000113.9L815 E816L815-S818 PolarHBondContact O-N 3.34Å; L815-S818 VanDerWaalsContact O-N 3.16Å; L815-S818 PolarHBondContact O-OG 3.33Å; E816-S818 PolarHBondContact O-N 2.9Å; E816-S818 VanDerWaalsContact O-N 3.16Å
819H59.2Low59.5Low61 Ų6186.3 Ų86.328%0.28249%0.485SS..Hα-helixtrans-88.2-21.9-178.5-93.9-76.9000113.4L815 E816 A821 L822L815-H819 WeakPolarHBondContact O-CB 3.35Å; L815-H819 PolarHBondContact O-N 2.88Å; E816-H819 PolarHBondContact O-N 3.13Å; E816-H819 VanDerWaalsContact O-N 3.08Å; H819-A821 PolarHBondContact O-N 2.91Å; H819-A821 VanDerWaalsContact O-N 3.08Å; H819-L822 PolarHBondContact O-N 3.16Å
820Q52Low58.3Low157 Ų15793 Ų9373%0.73452%0.52SS*.THydrogen-bonded Turntrans-65.1-11-178.6-150.6153.117.600113.9E816E816-Q820 WeakPolarHBondContact O-CB 3.47Å; E816-Q820 PolarHBondContact O-N 3.08Å
821A43.8Very low57.7Low93 Ų9391.5 Ų91.577%0.76952%0.516SS*.THydrogen-bonded Turntrans-84.7-5.1171.800000114.5H819H819-A821 PolarHBondContact O-N 2.91Å; H819-A821 VanDerWaalsContact O-N 3.08Å
822L45.2Very low57.6Low142 Ų14293.8 Ų93.874%0.74353%0.528SS*.THydrogen-bonded Turntrans-128.5-2.6-172.2-95.8151.8000114.8H819H819-L822 PolarHBondContact O-N 3.16Å
823C40.9Very low57.4Low75 Ų7593.8 Ų93.851%0.50753%0.528SS..  trans-123.168.2-174-73.40000113F825C823-F825 VanDerWaalsContact C-N 3.31Å; C823-F825 PolarHBondContact O-N 3.16Å
824D37.2Very low57.3Low167 Ų16797.4 Ų97.489%0.89354%0.541SS*.  trans-84.276.4154.4-76.3-29.1000108.5
825F41Very low57.5Low179 Ų17998.8 Ų98.879%0.78554%0.539SS*.  trans-123.7125.1169-86.1-80.8000110C823C823-F825 VanDerWaalsContact C-N 3.31Å; C823-F825 PolarHBondContact O-N 3.16Å
826E37.4Very low57.8Low203 Ų20398.1 Ų98.195%0.94954%0.536SS*.SBendtrans-47.3127.3-170-69167.3142.900115.1
827G43.8Very low58.1Low61 Ų6199.5 Ų99.563%0.62954%0.543SS*.  trans96.130.4155.300000118.2
828Q48.8Very low58.5Low129 Ų129100 Ų10060%0.60354%0.536SS*.  trans-89.4101.1163.1-77.2-174.2-3200110N830Q828-N830 PolarHBondContact O-N 3Å
829D49.3Very low59.2Low143 Ų14397.2 Ų97.277%0.76552%0.517SS*.  trans-68.8124.1161.8-73.1-35.1000109.1V831D829-V831 PolarHBondContact O-N 3.09Å
830N56.6Low60.1Low153 Ų15395.9 Ų95.982%0.81852%0.516SS*.SBendtrans18.162.7160.2-60.7-11.2000118.6Q828Q828-N830 PolarHBondContact O-N 3Å
831V66.1Low61.4Low42 Ų4290.8 Ų90.826%0.25549%0.494SS..  trans-113.1108.8165.1179.60000108.2I772 H776 D829 F835I772-V831 HydrophobicContact CG2-CG1 4.18Å; I772-V831 HydrophobicContact CG2-CG2 3.69Å; H776-V831 HydrophobicContact CB-CG1 3.95Å; H776-V831 PolarHBondContact CE1-O 3.08Å; H776-V831 PolarHBondContact NE2-O 2.9Å; D829-V831 PolarHBondContact O-N 3.09Å; V831-F835 HydrophobicContact CG1-CD1 3.83Å; V831-F835 HydrophobicContact CG1-CE1 4.38Å; V831-F835 HydrophobicContact CG1-CG 4.5Å; V831-F835 HydrophobicContact CG2-CD1 4.44Å; V831-F835 HydrophobicContact CG2-CE1 4.5Å
832D74.1Confident62.9Low69 Ų6991.1 Ų91.137%0.36948%0.478SS..  trans-123.6177.6179.357.814.5000111.3E834 F835 V836D832-E834 PolarHBondContact O-N 3.04Å; D832-E834 WeakPolarHBondContact OD1-CB 3.2Å; D832-E834 PolarHBondContact OD1-N 2.95Å; D832-F835 WeakPolarHBondContact O-CB 3.35Å; D832-F835 PolarHBondContact O-N 2.95Å; D832-F835 WeakPolarHBondContact OD1-CB 3.49Å; D832-F835 PolarHBondContact OD1-N 3.13Å; D832-V836 PolarHBondContact O-N 3.38Å
833A74.4Confident64.3Low2 Ų287.8 Ų87.82%0.01746%0.459CS..Hα-helixtrans-57.9-29.4176.900000112.9I809 L812 T813 E816 V836 E837I809-A833 WeakPolarHBondContact CD1-O 3.32Å; I809-A833 HydrophobicContact CG2-CB 3.99Å; L812-A833 HydrophobicContact CB-CB 4.01Å; T813-A833 WeakPolarHBondContact OG1-CB 3.31Å; E816-A833 PolarHBondContact OE1-N 3.15Å; E816-A833 VanDerWaalsContact OE1-N 3.08Å; E816-A833 WeakPolarHBondContact OE2-CB 3.26Å; E816-A833 PolarHBondContact OE2-N 3.2Å; E816-A833 VanDerWaalsContact OE2-N 3.08Å; A833-V836 PolarHBondContact O-N 2.82Å; A833-E837 PolarHBondContact O-N 3.02Å
834E76.4Confident66Low143 Ų14387 Ų8767%0.66845%0.451SS*.Hα-helixtrans-68.4-42.4177.1-171174.3177.500111.3D832 V836 E837 E838D832-E834 PolarHBondContact O-N 3.04Å; D832-E834 WeakPolarHBondContact OD1-CB 3.2Å; D832-E834 PolarHBondContact OD1-N 2.95Å; E834-V836 VanDerWaalsContact C-N 3.31Å; E834-V836 PolarHBondContact O-N 3.18Å; E834-E837 WeakPolarHBondContact O-CB 3.47Å; E834-E837 PolarHBondContact O-N 2.84Å; E834-E838 PolarHBondContact O-N 3.5Å
835F77.9Confident67.7Low53 Ų5383.7 Ų83.723%0.23243%0.432CS..Hα-helixtrans-60.3-38.9172-179.2-92.1000112.5I772 V831 D832 E837 E838 A839I772-F835 HydrophobicContact CB-CE1 4.38Å; I772-F835 HydrophobicContact CG2-CE1 4.01Å; V831-F835 HydrophobicContact CG1-CD1 3.83Å; V831-F835 HydrophobicContact CG1-CE1 4.38Å; V831-F835 HydrophobicContact CG1-CG 4.5Å; V831-F835 HydrophobicContact CG2-CD1 4.44Å; V831-F835 HydrophobicContact CG2-CE1 4.5Å; D832-F835 WeakPolarHBondContact O-CB 3.35Å; D832-F835 PolarHBondContact O-N 2.95Å; D832-F835 WeakPolarHBondContact OD1-CB 3.49Å; D832-F835 PolarHBondContact OD1-N 3.13Å; F835-E837 VanDerWaalsContact C-N 3.35Å; F835-E838 PolarHBondContact O-N 2.94Å; F835-A839 VanDerWaalsContact O-CB 3.3Å; F835-A839 WeakPolarHBondContact O-CB 3.44Å; F835-A839 PolarHBondContact O-N 2.96Å
836V80.1Confident69.1Low8 Ų878.3 Ų78.35%0.04842%0.42CS..Hα-helixtrans-65.9-39.1176.6176.10000111.2V777 F808 I809 L812 D832 A833 E834 A840V777-V836 HydrophobicContact CG2-CG1 4.04Å; V777-V836 HydrophobicContact CG2-CG2 4.32Å; F808-V836 HydrophobicContact CE1-CG1 4.39Å; I809-V836 HydrophobicContact CD1-CB 4.34Å; I809-V836 HydrophobicContact CD1-CG1 4.17Å; L812-V836 HydrophobicContact CD1-CG1 4.06Å; D832-V836 PolarHBondContact O-N 3.38Å; A833-V836 PolarHBondContact O-N 2.82Å; E834-V836 VanDerWaalsContact C-N 3.31Å; E834-V836 PolarHBondContact O-N 3.18Å; V836-A840 WeakPolarHBondContact O-CB 3.44Å; V836-A840 PolarHBondContact O-N 3.31Å
837E80.1Confident70.7Confident58 Ų5874.9 Ų74.927%0.27141%0.408SS..Hα-helixtrans-62.4-51.1174.7-167.3176.7172.300111.1L805 I809 A833 E834 F835 A839 A840 L841L805-E837 HydrophobicContact CD2-CG 3.97Å; L805-E837 HydrophobicContact CG-CG 4.27Å; I809-E837 HydrophobicContact CD1-CB 3.83Å; I809-E837 HydrophobicContact CD1-CG 4.44Å; I809-E837 HydrophobicContact CG1-CB 3.84Å; I809-E837 HydrophobicContact CG1-CG 3.98Å; A833-E837 PolarHBondContact O-N 3.02Å; E834-E837 WeakPolarHBondContact O-CB 3.47Å; E834-E837 PolarHBondContact O-N 2.84Å; F835-E837 VanDerWaalsContact C-N 3.35Å; E837-A839 VanDerWaalsContact C-N 3.34Å; E837-A839 PolarHBondContact O-N 3.19Å; E837-A840 PolarHBondContact O-N 2.84Å; E837-L841 HydrophobicContact CG-CD1 4.18Å; E837-L841 WeakPolarHBondContact O-CG 3.39Å; E837-L841 PolarHBondContact O-N 3.08Å
838E78.9Confident72.3Confident94 Ų9477.5 Ų77.544%0.43941%0.407SS..Hα-helixtrans-60.2-43.1179.6-165.4-170.3167.800111.7E834 F835 L841 K842E834-E838 PolarHBondContact O-N 3.5Å; F835-E838 PolarHBondContact O-N 2.94Å; E838-L841 PolarHBondContact O-N 2.73Å; E838-K842 HydrophobicContact CG-CD 4.18Å; E838-K842 WeakPolarHBondContact O-CB 3.45Å; E838-K842 WeakPolarHBondContact O-CG 3.41Å; E838-K842 PolarHBondContact O-N 3.13Å; E838-K842 WeakPolarHBondContact OE1-CE 3.46Å; E838-K842 IonicContact OE1-NZ 2.61Å; E838-K842 PolarHBondContact OE1-NZ 3.5Å
839A79.3Confident73Confident9 Ų974.7 Ų74.77%0.07441%0.413CS..Hα-helixtrans-64.2-40.3176.900000112.4S773 F835 E837 H843S773-A839 WeakPolarHBondContact OG-CB 3.48Å; F835-A839 VanDerWaalsContact O-CB 3.3Å; F835-A839 WeakPolarHBondContact O-CB 3.44Å; F835-A839 PolarHBondContact O-N 2.96Å; E837-A839 VanDerWaalsContact C-N 3.34Å; E837-A839 PolarHBondContact O-N 3.19Å; A839-H843 VanDerWaalsContact O-CB 3.3Å; A839-H843 WeakPolarHBondContact O-CB 3.46Å; A839-H843 PolarHBondContact O-N 2.83Å
840A78.8Confident73Confident33 Ų3375.9 Ų75.927%0.27342%0.418SS..Hα-helixtrans-67-41.8177.700000112L805 V836 E837 H843 T844L805-A840 HydrophobicContact CD1-CB 3.99Å; L805-A840 HydrophobicContact CD2-CB 4.46Å; V836-A840 WeakPolarHBondContact O-CB 3.44Å; V836-A840 PolarHBondContact O-N 3.31Å; E837-A840 PolarHBondContact O-N 2.84Å; A840-H843 PolarHBondContact O-N 3.01Å; A840-T844 WeakPolarHBondContact O-CB 3.35Å; A840-T844 PolarHBondContact O-N 3.16Å; A840-T844 PolarHBondContact O-OG1 3.46Å
841L79.8Confident73.8Confident50 Ų5072 Ų7226%0.26240%0.398SS..Hα-helixtrans-65.7-49.1176-69.3174000111.3F802 L805 E837 E838 H843 T844 M845F802-L841 HydrophobicContact CD2-CD2 3.97Å; F802-L841 HydrophobicContact CE2-CD2 3.98Å; F802-L841 HydrophobicContact CG-CD2 4.28Å; F802-L841 HydrophobicContact CZ-CD2 4.29Å; L805-L841 HydrophobicContact CD2-CD2 3.78Å; L805-L841 HydrophobicContact CD2-CG 3.92Å; E837-L841 HydrophobicContact CG-CD1 4.18Å; E837-L841 WeakPolarHBondContact O-CG 3.39Å; E837-L841 PolarHBondContact O-N 3.08Å; E838-L841 PolarHBondContact O-N 2.73Å; L841-H843 VanDerWaalsContact C-N 3.3Å; L841-H843 PolarHBondContact O-N 3.21Å; L841-T844 PolarHBondContact O-N 2.84Å; L841-T844 VanDerWaalsContact O-N 3.09Å; L841-M845 WeakPolarHBondContact O-CG 3.37Å; L841-M845 PolarHBondContact O-N 3.2Å
842K75Confident74.3Confident100 Ų10073.6 Ų73.644%0.43541%0.406SS..Hα-helixtrans-56.8-42175.3-78.4174.7169.6171.20112.3E838 M845 A846E838-K842 HydrophobicContact CG-CD 4.18Å; E838-K842 WeakPolarHBondContact O-CB 3.45Å; E838-K842 WeakPolarHBondContact O-CG 3.41Å; E838-K842 PolarHBondContact O-N 3.13Å; E838-K842 WeakPolarHBondContact OE1-CE 3.46Å; E838-K842 IonicContact OE1-NZ 2.61Å; E838-K842 PolarHBondContact OE1-NZ 3.5Å; K842-M845 PolarHBondContact O-N 3.19Å; K842-A846 WeakPolarHBondContact O-CB 3.44Å; K842-A846 PolarHBondContact O-N 3.25Å
843H74.1Confident74.3Confident73 Ų7373.8 Ų73.834%0.33841%0.408SS..Hα-helixtrans-65.4-39.2177-173.758.4000112.4A839 A840 L841 A846 L847A839-H843 VanDerWaalsContact O-CB 3.3Å; A839-H843 WeakPolarHBondContact O-CB 3.46Å; A839-H843 PolarHBondContact O-N 2.83Å; A840-H843 PolarHBondContact O-N 3.01Å; L841-H843 VanDerWaalsContact C-N 3.3Å; L841-H843 PolarHBondContact O-N 3.21Å; H843-A846 PolarHBondContact O-N 3.14Å; H843-L847 WeakPolarHBondContact O-CG 3.47Å; H843-L847 PolarHBondContact O-N 2.95Å
844T76.8Confident74.2Confident58 Ų5878.1 Ų78.136%0.35643%0.431SS..Hα-helixtrans-67.8-42.7177.6-56.30000111.3A840 L841 A846 L847 L848A840-T844 WeakPolarHBondContact O-CB 3.35Å; A840-T844 PolarHBondContact O-N 3.16Å; A840-T844 PolarHBondContact O-OG1 3.46Å; L841-T844 PolarHBondContact O-N 2.84Å; L841-T844 VanDerWaalsContact O-N 3.09Å; T844-A846 PolarHBondContact O-N 3.22Å; T844-L847 PolarHBondContact O-N 3.2Å; T844-L848 HydrophobicContact CG2-CD1 3.91Å; T844-L848 WeakPolarHBondContact O-CB 3.46Å; T844-L848 VanDerWaalsContact O-CG 3.24Å; T844-L848 WeakPolarHBondContact O-CG 3.27Å; T844-L848 PolarHBondContact O-N 2.93Å
845M72.3Confident74.1Confident98 Ų9874 Ų7448%0.48342%0.416SS..Hα-helixtrans-60.8-44.6174.5-68.7-178.774.900111.5L841 K842 L847 L848 G849 L850L841-M845 WeakPolarHBondContact O-CG 3.37Å; L841-M845 PolarHBondContact O-N 3.2Å; K842-M845 PolarHBondContact O-N 3.19Å; M845-L847 PolarHBondContact O-N 3.45Å; M845-L848 CarbonylContact O-C 3.59Å; M845-L848 PolarHBondContact O-N 2.85Å; M845-L848 VanDerWaalsContact O-N 3.14Å; M845-G849 PolarHBondContact O-N 2.81Å; M845-L850 PolarHBondContact O-N 3.34Å; M845-L850 VanDerWaalsContact O-N 3.09Å
846A70.6Confident73.9Confident66 Ų6675.4 Ų75.455%0.54543%0.428SS..Hα-helixtrans-61.2-40.417600000113K842 H843 T844 L848 G849K842-A846 WeakPolarHBondContact O-CB 3.44Å; K842-A846 PolarHBondContact O-N 3.25Å; H843-A846 PolarHBondContact O-N 3.14Å; T844-A846 PolarHBondContact O-N 3.22Å; A846-L848 VanDerWaalsContact C-N 3.29Å; A846-L848 PolarHBondContact O-N 3.41Å; A846-G849 PolarHBondContact O-N 3.34Å
847L72.2Confident73.4Confident130 Ų13080.2 Ų80.268%0.68146%0.455SS*.Hα-helixtrans-66.5-31.2175.7-78.1169.5000113H843 T844 M845H843-L847 WeakPolarHBondContact O-CG 3.47Å; H843-L847 PolarHBondContact O-N 2.95Å; T844-L847 PolarHBondContact O-N 3.2Å; M845-L847 PolarHBondContact O-N 3.45Å
848L76.7Confident72.9Confident116 Ų11681.9 Ų81.961%0.60747%0.469SS*.Hα-helixtrans-86.9-7.8179.3-65.5172.9000112.9T844 M845 A846 L850T844-L848 HydrophobicContact CG2-CD1 3.91Å; T844-L848 WeakPolarHBondContact O-CB 3.46Å; T844-L848 VanDerWaalsContact O-CG 3.24Å; T844-L848 WeakPolarHBondContact O-CG 3.27Å; T844-L848 PolarHBondContact O-N 2.93Å; M845-L848 CarbonylContact O-C 3.59Å; M845-L848 PolarHBondContact O-N 2.85Å; M845-L848 VanDerWaalsContact O-N 3.14Å; A846-L848 VanDerWaalsContact C-N 3.29Å; A846-L848 PolarHBondContact O-N 3.41Å; L848-L850 VanDerWaalsContact C-N 3.29Å; L848-L850 HydrophobicContact CB-CB 4.49Å; L848-L850 HydrophobicContact CB-CD1 3.73Å; L848-L850 HydrophobicContact CB-CG 3.9Å; L848-L850 HydrophobicContact CD1-CD1 3.98Å
849G63.1Low72.4Confident71 Ų7180.9 Ų80.973%0.73247%0.472SS*.THydrogen-bonded Turntrans66.529.6-177.100000113.4M845 A846M845-G849 PolarHBondContact O-N 2.81Å; A846-G849 PolarHBondContact O-N 3.34Å
850L50.3Low71.8Confident167 Ų16787.5 Ų87.587%0.87451%0.508SS*.  trans-99.40-175.1-70.7172.6000113.2M845 L848M845-L850 PolarHBondContact O-N 3.34Å; M845-L850 VanDerWaalsContact O-N 3.09Å; L848-L850 VanDerWaalsContact C-N 3.29Å; L848-L850 HydrophobicContact CB-CB 4.49Å; L848-L850 HydrophobicContact CB-CD1 3.73Å; L848-L850 HydrophobicContact CB-CG 3.9Å; L848-L850 HydrophobicContact CD1-CD1 3.98Å

Retrieved 850 of 850 residues in 941.9 ms (Link to these results)

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