A0A096MLR1_PAPAN Loading...

Dynactin subunit 4

AlphaFold DB (H9ETX4), UniProt , Accession A0A096MLR1, Species PAPAN (Papio anubis, Olive baboon), Gene DCTN4, Length 467 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M52.7Low81Confident190 Ų19088.9 Ų88.994%0.93649%0.486SS*.  0-36.80-70.3-159.3-82.100113.4S3 L4 L5M1-S3 VanDerWaalsContact C-N 3.34Å; M1-S3 PolarHBondContact O-N 3.01Å; M1-L4 WeakPolarHBondContact O-CB 3.34Å; M1-L4 PolarHBondContact O-N 3.19Å; M1-L5 PolarHBondContact O-N 3.04Å
2A67.9Low82.1Confident58 Ų5881.6 Ų81.648%0.47945%0.446SS..THydrogen-bonded Turntrans-52.2-46.1179.400000114L4A2-L4 VanDerWaalsContact C-N 3.32Å; A2-L4 PolarHBondContact O-N 3.37Å
3S77.4Confident83Confident115 Ų11576.1 Ų76.180%0.80442%0.416SS*.THydrogen-bonded Turntrans-68.8-27.6178.8-34.20000113.9M1M1-S3 VanDerWaalsContact C-N 3.34Å; M1-S3 PolarHBondContact O-N 3.01Å
4L80.3Confident83.6Confident145 Ų14570.6 Ų70.676%0.75939%0.386SS*.THydrogen-bonded Turntrans-74.1-36.5-178.3-178.865.1000111.4M1 A2 Q6M1-L4 WeakPolarHBondContact O-CB 3.34Å; M1-L4 PolarHBondContact O-N 3.19Å; A2-L4 VanDerWaalsContact C-N 3.32Å; A2-L4 PolarHBondContact O-N 3.37Å; L4-Q6 VanDerWaalsContact C-N 3.3Å; L4-Q6 PolarHBondContact O-N 3.42Å
5L79.9Confident83.4Confident107 Ų10774 Ų7456%0.5640%0.398SS*.THydrogen-bonded Turntrans-89.69-175.9-61.8175.7000113.4M1 S7M1-L5 PolarHBondContact O-N 3.04Å; L5-S7 VanDerWaalsContact C-N 3.34Å; L5-S7 PolarHBondContact O-N 3.04Å
6Q83.4Confident82.8Confident118 Ų11871.3 Ų71.355%0.55139%0.393SS*.THydrogen-bonded Turntrans48.951.1179.2-59.1-179.1-24.200112.9L4 D8 R9L4-Q6 VanDerWaalsContact C-N 3.3Å; L4-Q6 PolarHBondContact O-N 3.42Å; Q6-D8 PolarHBondContact O-N 3.39Å; Q6-R9 HydrophobicContact CB-CG 4.13Å; Q6-R9 PolarHBondContact O-N 2.91Å; Q6-R9 VanDerWaalsContact O-N 3.12Å
7S83.4Confident82.3Confident31 Ų3176.9 Ų76.922%0.21742%0.416CS..G310 helixtrans-56.3-19.2179.655.40000113.8L5 R9 V10L5-S7 VanDerWaalsContact C-N 3.34Å; L5-S7 PolarHBondContact O-N 3.04Å; S7-R9 PolarHBondContact O-N 2.71Å; S7-V10 PolarHBondContact O-N 3.45Å
8D87.6Confident82.4Confident100 Ų10081 Ų8154%0.53543%0.429SS..G310 helixtrans-73.5-6.7-178.1-53.8-26.8000113.7Q6 L11 P23Q6-D8 PolarHBondContact O-N 3.39Å; D8-L11 WeakPolarHBondContact O-CD2 3.48Å; D8-P23 WeakPolarHBondContact OD1-CG 3.42Å
9R90.6Very high82.7Confident69 Ų6982.8 Ų82.826%0.2643%0.433SS..G310 helixtrans-81.2-20.3175.7-64.4-173.766.8169.85.9114.1Q6 S7 I318 S461 L462Q6-R9 HydrophobicContact CB-CG 4.13Å; Q6-R9 PolarHBondContact O-N 2.91Å; Q6-R9 VanDerWaalsContact O-N 3.12Å; S7-R9 PolarHBondContact O-N 2.71Å; R9-I318 HydrophobicContact CB-CD1 4.41Å; R9-S461 VanDerWaalsContact CZ-O 3.3Å; R9-S461 PolarHBondContact NE-O 3.24Å; R9-S461 PolarHBondContact NH2-O 3.06Å; R9-S461 PolarHBondContact O-N 3.25Å; R9-L462 VanDerWaalsContact NH2-CA 3.33Å; R9-L462 PolarHBondContact NH2-O 3.4Å
10V92.9Very high83.2Confident14 Ų1479.9 Ų79.99%0.08542%0.418CS..EExtended strand (participates in β ladder)trans-119.5109.9179-177.10000108.5S7 Y12 V316 I318 V458 E459 L460S7-V10 PolarHBondContact O-N 3.45Å; V10-Y12 HydrophobicContact CG1-CE2 3.99Å; V10-V316 HydrophobicContact CG1-CB 4.25Å; V10-V316 HydrophobicContact CG1-CG1 4.47Å; V10-I318 HydrophobicContact CG2-CD1 4.06Å; V10-I318 HydrophobicContact CG2-CG1 4.04Å; V10-V458 HydrophobicContact CG1-CG1 3.87Å; V10-E459 WeakPolarHBondContact CA-O 3.34Å; V10-L460 HydrophobicContact CB-CD2 4.1Å; V10-L460 HydrophobicContact CG1-CD2 3.68Å; V10-L460 HydrophobicContact CG2-CD2 3.55Å
11L94.6Very high83.6Confident31 Ų3178.9 Ų78.916%0.16241%0.409CS..EExtended strand (participates in β ladder)trans-113.3144-173.7-55.9-178.3000110.3D8 R21 P23 V458 E459D8-L11 WeakPolarHBondContact O-CD2 3.48Å; L11-R21 HydrophobicContact CB-CB 4.16Å; L11-R21 HydrophobicContact CD1-CB 4.16Å; L11-P23 HydrophobicContact CD2-CG 3.86Å; L11-V458 WeakPolarHBondContact O-CA 3.37Å; L11-E459 HydrophobicContact CB-CB 4.42Å; L11-E459 PolarHBondContact N-O 2.94Å; L11-E459 PolarHBondContact O-N 3.3Å
12Y94.7Very high85.6Confident1 Ų170.4 Ų70.40%0.00437%0.369CS..EExtended strand (participates in β ladder)trans-113.1135.4176.1-71.4-109.7000108.8V10 R21 A22 L24 I313 P314 V316 M428 Q456 V458V10-Y12 HydrophobicContact CG1-CE2 3.99Å; Y12-R21 WeakPolarHBondContact O-CA 3.49Å; Y12-A22 PolarHBondContact N-O 2.89Å; Y12-A22 PolarHBondContact O-N 2.83Å; Y12-L24 HydrophobicContact CD1-CD1 4.13Å; Y12-L24 HydrophobicContact CD2-CB 3.85Å; Y12-L24 HydrophobicContact CD2-CD1 4.1Å; Y12-L24 HydrophobicContact CD2-CG 4.48Å; Y12-L24 HydrophobicContact CE1-CD1 4.17Å; Y12-L24 HydrophobicContact CE2-CB 3.7Å; Y12-L24 HydrophobicContact CE2-CD1 4.16Å; Y12-L24 HydrophobicContact CE2-CD2 4.21Å; Y12-L24 HydrophobicContact CE2-CG 4.24Å; Y12-L24 HydrophobicContact CG-CD1 4.09Å; Y12-I313 HydrophobicContact CE1-CG2 4.21Å; Y12-P314 PolarHBondContact OH-O 3.27Å; Y12-P314 VanDerWaalsContact OH-O 3.05Å; Y12-V316 PolarHBondContact OH-N 3.28Å; Y12-M428 HydrophobicContact CE1-CE 4.06Å; Y12-Q456 HydrophobicContact CD1-CB 4.09Å; Y12-Q456 HydrophobicContact CD1-CG 4.48Å; Y12-V458 HydrophobicContact CD1-CG2 3.87Å; Y12-V458 HydrophobicContact CE1-CG2 3.67Å
13L93.3Very high86.8Confident10 Ų1068 Ų685%0.05235%0.348CS..EExtended strand (participates in β ladder)trans-77.7129.7176.5-172.166.8000110.4Q15 K19 R21 D357 H457L13-Q15 HydrophobicContact CD2-CG 4.43Å; L13-K19 HydrophobicContact CD1-CB 4.25Å; L13-R21 HydrophobicContact CD1-CG 3.8Å; L13-D357 HydrophobicContact CD2-CB 3.82Å; L13-H457 HydrophobicContact CB-CB 3.78Å; L13-H457 HydrophobicContact CD2-CB 3.89Å; L13-H457 PolarHBondContact N-O 3.37Å
14V91.9Very high87.6Confident0 Ų062.7 Ų62.70%031%0.311CS..EExtended strand (participates in β ladder)trans-101.9120.2169.2177.70000109.1V20 L27 L36V14-V20 PolarHBondContact N-O 2.89Å; V14-V20 PolarHBondContact O-N 2.8Å; V14-L27 HydrophobicContact CG2-CD1 4.03Å; V14-L27 HydrophobicContact CG2-CD2 3.54Å; V14-L27 HydrophobicContact CG2-CG 4.43Å; V14-L36 WeakPolarHBondContact CG1-O 3.21Å; V14-L36 HydrophobicContact CG2-CD2 4.21Å; V14-L36 HydrophobicContact CG2-CG 4.01Å
15Q80.3Confident88.2Confident121 Ų12158.3 Ų58.357%0.56529%0.293SS*.  trans-88.7108.5172.2-65.4-179.6-15.200108.9L13 R37L13-Q15 HydrophobicContact CD2-CG 4.43Å; Q15-R37 PolarHBondContact O-NH1 3.12Å
16G73.8Confident88.8Confident31 Ų3158.1 Ų58.132%0.3229%0.289SS..SBendtrans-146.8-157.4177.100000111K18G16-K18 PolarHBondContact O-N 3.02Å
17E74.8Confident89.4Confident167 Ų16752.5 Ų52.578%0.7826%0.263SS*.SBendtrans-57.2-32.9171-68.6173.4179.300112R285E17-R285 IonicContact OE2-NH1 3.85Å; E17-R285 PolarHBondContact OE2-NH1 2.75Å
18K83.5Confident90Very high150 Ų15052.8 Ų52.865%0.65226%0.259SS*.SBendtrans-123.9135.9172-63.2-176.4-178.9-177.20108.3G16 V20G16-K18 PolarHBondContact O-N 3.02Å; K18-V20 HydrophobicContact CB-CG2 4.37Å; K18-V20 PolarHBondContact O-N 2.82Å
19K88.6Confident90.3Very high116 Ų11648 Ų4850%0.50423%0.234SC..  trans-77.2118.9171-66.8-178.3178.5-175.10108.2L13 D357L13-K19 HydrophobicContact CD1-CB 4.25Å; K19-D357 WeakPolarHBondContact CD-OD1 3.42Å; K19-D357 WeakPolarHBondContact CE-OD1 3.38Å; K19-D357 IonicContact NZ-OD1 3.38Å; K19-D357 PolarHBondContact NZ-OD1 2.7Å; K19-D357 IonicContact NZ-OD2 2.63Å
20V92.1Very high90.4Very high23 Ų2344.7 Ų44.714%0.13922%0.221CC..EExtended strand (participates in β ladder)trans-127.9137.9-178.7176.70000108.8V14 K18V14-V20 PolarHBondContact N-O 2.89Å; V14-V20 PolarHBondContact O-N 2.8Å; K18-V20 HydrophobicContact CB-CG2 4.37Å; K18-V20 PolarHBondContact O-N 2.82Å
21R92Very high90.2Very high60 Ų6047.5 Ų47.523%0.22623%0.23CC..EExtended strand (participates in β ladder)trans-107.5122.1173.3-66.2178172.587.4-1.6108.5L11 Y12 L13 D357 E459L11-R21 HydrophobicContact CB-CB 4.16Å; L11-R21 HydrophobicContact CD1-CB 4.16Å; Y12-R21 WeakPolarHBondContact O-CA 3.49Å; L13-R21 HydrophobicContact CD1-CG 3.8Å; R21-D357 PolarHBondContact NH2-O 3.11Å; R21-E459 WeakPolarHBondContact CD-OE2 3.49Å; R21-E459 IonicContact CZ-OE2 3.67Å; R21-E459 IonicContact NE-OE2 3.53Å; R21-E459 PolarHBondContact NE-OE2 2.97Å; R21-E459 IonicContact NH2-OE2 2.89Å
22A93.9Very high89.9Confident11 Ų1151.6 Ų51.69%0.09124%0.244CC..EExtended strand (participates in β ladder)trans-145.4158.318000000111.2Y12 L27Y12-A22 PolarHBondContact N-O 2.89Å; Y12-A22 PolarHBondContact O-N 2.83Å; A22-L27 HydrophobicContact CB-CD2 3.81Å; A22-L27 HydrophobicContact CB-CG 4.25Å
23P94.8Very high89.7Confident7 Ų753.3 Ų53.35%0.04526%0.256CS..EExtended strand (participates in β ladder)trans-62.5145.6175.8-18.830.9000111.2D8 L11 S25 Q26 L27D8-P23 WeakPolarHBondContact OD1-CG 3.42Å; L11-P23 HydrophobicContact CD2-CG 3.86Å; P23-S25 PolarHBondContact O-N 2.88Å; P23-Q26 HydrophobicContact CB-CG 4.5Å; P23-Q26 HydrophobicContact CG-CG 4.43Å; P23-Q26 PolarHBondContact O-N 3.34Å; P23-L27 WeakPolarHBondContact O-CG 3.02Å; P23-L27 PolarHBondContact O-N 2.92Å
24L93.9Very high89.6Confident5 Ų553.8 Ų53.83%0.02626%0.26CS..G310 helixtrans-57-30.1-179.2-165.365.2000113.3Y12 Q26 L27 A309 I313 E315Y12-L24 HydrophobicContact CD1-CD1 4.13Å; Y12-L24 HydrophobicContact CD2-CB 3.85Å; Y12-L24 HydrophobicContact CD2-CD1 4.1Å; Y12-L24 HydrophobicContact CD2-CG 4.48Å; Y12-L24 HydrophobicContact CE1-CD1 4.17Å; Y12-L24 HydrophobicContact CE2-CB 3.7Å; Y12-L24 HydrophobicContact CE2-CD1 4.16Å; Y12-L24 HydrophobicContact CE2-CD2 4.21Å; Y12-L24 HydrophobicContact CE2-CG 4.24Å; Y12-L24 HydrophobicContact CG-CD1 4.09Å; L24-Q26 PolarHBondContact O-N 3.44Å; L24-L27 PolarHBondContact O-N 3.39Å; L24-A309 HydrophobicContact CD1-CB 3.64Å; L24-A309 HydrophobicContact CG-CB 4.2Å; L24-I313 HydrophobicContact CD1-CB 4.25Å; L24-I313 HydrophobicContact CD1-CD1 4.49Å; L24-I313 HydrophobicContact CD1-CG2 4.27Å; L24-E315 HydrophobicContact CD2-CB 3.89Å; L24-E315 HydrophobicContact CD2-CG 3.97Å
25S92.4Very high89.5Confident53 Ų5356.8 Ų56.837%0.37127%0.274SS..G310 helixtrans-65.8-22.8177.660.10000114.1P23P23-S25 PolarHBondContact O-N 2.88Å
26Q93.1Very high90.1Very high102 Ų10251.8 Ų51.848%0.47725%0.251SS..G310 helixtrans-98.8-6.3178.6-57.8-174.515.400112.8P23 L24P23-Q26 HydrophobicContact CB-CG 4.5Å; P23-Q26 HydrophobicContact CG-CG 4.43Å; P23-Q26 PolarHBondContact O-N 3.34Å; L24-Q26 PolarHBondContact O-N 3.44Å
27L95Very high91.1Very high0 Ų050.6 Ų50.60%024%0.237CC..  trans-94.1156.5-177.1-64.2-179.5000111.8V14 A22 P23 L24 L36 S38 A309V14-L27 HydrophobicContact CG2-CD1 4.03Å; V14-L27 HydrophobicContact CG2-CD2 3.54Å; V14-L27 HydrophobicContact CG2-CG 4.43Å; A22-L27 HydrophobicContact CB-CD2 3.81Å; A22-L27 HydrophobicContact CB-CG 4.25Å; P23-L27 WeakPolarHBondContact O-CG 3.02Å; P23-L27 PolarHBondContact O-N 2.92Å; L24-L27 PolarHBondContact O-N 3.39Å; L27-L36 HydrophobicContact CB-CD1 3.79Å; L27-L36 HydrophobicContact CB-CG 4.32Å; L27-L36 HydrophobicContact CD1-CD1 4.19Å; L27-L36 HydrophobicContact CD1-CD2 3.63Å; L27-L36 HydrophobicContact CD1-CG 3.98Å; L27-S38 VanDerWaalsContact CD2-CA 3.47Å; L27-A309 HydrophobicContact CB-CB 3.75Å; L27-A309 WeakPolarHBondContact O-CB 3.38Å; L27-A309 PolarHBondContact O-N 3.39Å
28Y95.2Very high92Very high37 Ų3742.8 Ų42.815%0.14520%0.201CC..EExtended strand (participates in β ladder)trans-121.4141.7178.2-59.1-80.9000109.7L36 R37 L39 L282 L307 V308Y28-L36 WeakPolarHBondContact O-CD1 3.47Å; Y28-R37 PolarHBondContact N-O 3.38Å; Y28-R37 PolarHBondContact O-N 3.02Å; Y28-L39 HydrophobicContact CE2-CD1 4.12Å; Y28-L282 HydrophobicContact CD1-CD1 4.31Å; Y28-L282 HydrophobicContact CD2-CD1 4.02Å; Y28-L282 HydrophobicContact CE1-CD1 3.68Å; Y28-L282 HydrophobicContact CE2-CD1 3.34Å; Y28-L282 HydrophobicContact CG-CD1 4.45Å; Y28-L282 VanDerWaalsContact OH-CD1 3.28Å; Y28-L282 WeakPolarHBondContact OH-CD1 3.19Å; Y28-L307 CarbonylContact C-O 3.57Å; Y28-L307 VanDerWaalsContact CA-O 3.29Å; Y28-L307 WeakPolarHBondContact CA-O 3.17Å; Y28-L307 WeakPolarHBondContact CB-O 3.43Å; Y28-V308 HydrophobicContact CD1-CG2 4.28Å; Y28-V308 HydrophobicContact CE1-CG2 4.11Å
29F94.1Very high92.4Very high0 Ų038.3 Ų38.30%018%0.184CC..EExtended strand (participates in β ladder)trans-109.1118.6178.4178.9-103.8000110.7R31 L307 A309 Y312 I313 F432 L454F29-R31 HydrophobicContact CD1-CG 4.04Å; F29-R31 HydrophobicContact CE1-CG 4.02Å; F29-R31 PolarHBondContact O-N 2.81Å; F29-L307 PolarHBondContact N-O 2.95Å; F29-L307 WeakPolarHBondContact O-CB 3.33Å; F29-A309 HydrophobicContact CB-CB 4.35Å; F29-Y312 HydrophobicContact CB-CD2 4.05Å; F29-Y312 HydrophobicContact CB-CG 4.38Å; F29-Y312 HydrophobicContact CD1-CD1 4.25Å; F29-Y312 HydrophobicContact CD1-CD2 4.01Å; F29-Y312 AromaticContact CD1-CG 3.69Å; F29-Y312 HydrophobicContact CD1-CG 3.69Å; F29-Y312 HydrophobicContact CE1-CG 4.46Å; F29-Y312 HydrophobicContact CG-CD2 4.47Å; F29-Y312 HydrophobicContact CG-CG 4.36Å; F29-I313 HydrophobicContact CD2-CD1 3.98Å; F29-I313 HydrophobicContact CD2-CG1 4.27Å; F29-F432 HydrophobicContact CD1-CE2 4.4Å; F29-F432 HydrophobicContact CD1-CZ 4.43Å; F29-F432 HydrophobicContact CE1-CD1 4.33Å; F29-F432 HydrophobicContact CE1-CD2 4.13Å; F29-F432 AromaticContact CE1-CE1 3.76Å; F29-F432 HydrophobicContact CE1-CE1 3.76Å; F29-F432 AromaticContact CE1-CE2 3.54Å; F29-F432 HydrophobicContact CE1-CE2 3.54Å; F29-F432 AromaticContact CE1-CZ 3.37Å; F29-F432 HydrophobicContact CE1-CZ 3.37Å; F29-F432 HydrophobicContact CZ-CD1 4.03Å; F29-F432 HydrophobicContact CZ-CD2 4.21Å; F29-F432 AromaticContact CZ-CE1 3.86Å; F29-F432 HydrophobicContact CZ-CE1 3.86Å; F29-F432 HydrophobicContact CZ-CE2 4.07Å; F29-F432 HydrophobicContact CZ-CG 4.23Å; F29-F432 AromaticContact CZ-CZ 3.92Å; F29-F432 HydrophobicContact CZ-CZ 3.92Å; F29-L454 HydrophobicContact CE2-CD1 3.68Å; F29-L454 HydrophobicContact CZ-CD1 3.71Å
30C92.6Very high92.5Very high0 Ų038.9 Ų38.90%019%0.189CC..EExtended strand (participates in β ladder)trans-9096.5-177.7-173.60000111.3Y32 C33 S34 E35 C287 L291C30-Y32 PolarHBondContact O-N 2.98Å; C30-C33 VanDerWaalsContact CB-SG 3.56Å; C30-C33 PolarHBondContact O-N 2.98Å; C30-C33 VanDerWaalsContact O-N 3.16Å; C30-C33 PolarHBondContact SG-SG 2.93Å; C30-S34 WeakPolarHBondContact O-CA 3.44Å; C30-S34 PolarHBondContact O-N 3.37Å; C30-E35 WeakPolarHBondContact CB-O 3.48Å; C30-E35 PolarHBondContact N-O 2.91Å; C30-C287 PolarHBondContact SG-SG 3.23Å; C30-L291 HydrophobicContact CB-CD2 3.65Å
31R89.8Confident92.4Very high72 Ų7238.6 Ų38.627%0.27219%0.187SC..THydrogen-bonded Turntrans-55-24.4178.7-61.2-173.5-69.8179.60115.4F29 L307 Y312 F432 N434F29-R31 HydrophobicContact CD1-CG 4.04Å; F29-R31 HydrophobicContact CE1-CG 4.02Å; F29-R31 PolarHBondContact O-N 2.81Å; R31-L307 VanDerWaalsContact NE-CD2 3.32Å; R31-Y312 HydrophobicContact CG-CE1 4.2Å; R31-F432 HydrophobicContact CG-CZ 4.4Å; R31-N434 PolarHBondContact O-ND2 2.8Å; R31-N434 PolarHBondContact O-OD1 2.91Å
32Y89.1Confident92.4Very high117 Ų11735.8 Ų35.846%0.45918%0.177SC..THydrogen-bonded Turntrans-79.2-30.4-178.8-66.1-87.2000114.4C30 H289C30-Y32 PolarHBondContact O-N 2.98Å; Y32-H289 AromaticContact CD1-CD2 3.63Å; Y32-H289 AromaticContact CD1-CE1 3.81Å; Y32-H289 AromaticContact CD1-CG 3.94Å; Y32-H289 AromaticContact CD1-NE2 3.55Å; Y32-H289 HydrophobicContact CD2-CB 3.52Å; Y32-H289 AromaticContact CD2-CD2 3.65Å; Y32-H289 AromaticContact CD2-CG 3.51Å; Y32-H289 AromaticContact CE1-CD2 3.33Å; Y32-H289 WeakPolarHBondContact CE1-CD2 3.29Å; Y32-H289 AromaticContact CE1-NE2 3.35Å; Y32-H289 VanDerWaalsContact CE1-NE2 3.35Å; Y32-H289 WeakPolarHBondContact CE1-NE2 3.47Å; Y32-H289 HydrophobicContact CE2-CB 3.75Å; Y32-H289 AromaticContact CE2-CD2 3.36Å; Y32-H289 WeakPolarHBondContact CE2-CD2 3.36Å; Y32-H289 AromaticContact CE2-CG 3.67Å; Y32-H289 HydrophobicContact CG-CB 4.1Å; Y32-H289 AromaticContact CG-CD2 3.78Å; Y32-H289 AromaticContact CG-CG 3.65Å; Y32-H289 AromaticContact CG-ND1 3.9Å; Y32-H289 AromaticContact CZ-CD2 3.18Å; Y32-H289 AromaticContact CZ-CG 3.94Å; Y32-H289 AromaticContact CZ-NE2 3.72Å
33C89.1Confident92.4Very high37 Ų3737.2 Ų37.225%0.2519%0.186CC..THydrogen-bonded Turntrans-1151.4176.561.20000112.5C30 E35 R37C30-C33 VanDerWaalsContact CB-SG 3.56Å; C30-C33 PolarHBondContact O-N 2.98Å; C30-C33 VanDerWaalsContact O-N 3.16Å; C30-C33 PolarHBondContact SG-SG 2.93Å; C33-E35 PolarHBondContact O-N 2.94Å; C33-R37 PolarHBondContact SG-NH2 3.15Å
34S90.6Very high92.4Very high20 Ų2041.9 Ų41.914%0.1421%0.207CC..THydrogen-bonded Turntrans53.631.5-178.3-52.90000114C30 L454C30-S34 WeakPolarHBondContact O-CA 3.44Å; C30-S34 PolarHBondContact O-N 3.37Å; S34-L454 WeakPolarHBondContact O-CD2 3.25Å
35E90.4Very high92.4Very high64 Ų6445.3 Ų45.330%0.29922%0.223SC..EExtended strand (participates in β ladder)trans-118.5145.2-179.6-72.3-179.7-152.100111.9C30 C33 R37 K286C30-E35 WeakPolarHBondContact CB-O 3.48Å; C30-E35 PolarHBondContact N-O 2.91Å; C33-E35 PolarHBondContact O-N 2.94Å; E35-R37 IonicContact OE2-CZ 2.71Å; E35-R37 IonicContact OE2-NH1 3.69Å; E35-R37 PolarHBondContact OE2-NH1 3.27Å; E35-R37 IonicContact OE2-NH2 3.25Å; E35-R37 PolarHBondContact OE2-NH2 2.81Å; E35-K286 IonicContact OE1-NZ 3.15Å; E35-K286 PolarHBondContact OE1-NZ 3.08Å; E35-K286 VanDerWaalsContact OE2-CE 3.23Å; E35-K286 WeakPolarHBondContact OE2-CE 3.43Å; E35-K286 IonicContact OE2-NZ 3.69Å; E35-K286 PolarHBondContact OE2-NZ 2.85Å
36L93.3Very high92.5Very high16 Ų1646.7 Ų46.78%0.08423%0.229CC..EExtended strand (participates in β ladder)trans-74.6145.5171.8-167.257.5000110.3V14 L27 Y28 A309 I313V14-L36 WeakPolarHBondContact CG1-O 3.21Å; V14-L36 HydrophobicContact CG2-CD2 4.21Å; V14-L36 HydrophobicContact CG2-CG 4.01Å; L27-L36 HydrophobicContact CB-CD1 3.79Å; L27-L36 HydrophobicContact CB-CG 4.32Å; L27-L36 HydrophobicContact CD1-CD1 4.19Å; L27-L36 HydrophobicContact CD1-CD2 3.63Å; L27-L36 HydrophobicContact CD1-CG 3.98Å; Y28-L36 WeakPolarHBondContact O-CD1 3.47Å; L36-A309 HydrophobicContact CD1-CB 3.45Å; L36-A309 VanDerWaalsContact CD1-CB 3.45Å; L36-I313 HydrophobicContact CD1-CD1 3.57Å; L36-I313 HydrophobicContact CD2-CD1 4.18Å; L36-I313 HydrophobicContact CG-CD1 4.3Å
37R94.2Very high92.4Very high5 Ų543.9 Ų43.92%0.01922%0.217CC..EExtended strand (participates in β ladder)trans-136.9136.4-179.3-64-65.7-178.1-125.2-12.4110.8Q15 Y28 C33 E35 V42 K286 L291Q15-R37 PolarHBondContact O-NH1 3.12Å; Y28-R37 PolarHBondContact N-O 3.38Å; Y28-R37 PolarHBondContact O-N 3.02Å; C33-R37 PolarHBondContact SG-NH2 3.15Å; E35-R37 IonicContact OE2-CZ 2.71Å; E35-R37 IonicContact OE2-NH1 3.69Å; E35-R37 PolarHBondContact OE2-NH1 3.27Å; E35-R37 IonicContact OE2-NH2 3.25Å; E35-R37 PolarHBondContact OE2-NH2 2.81Å; R37-V42 HydrophobicContact CB-CG1 3.8Å; R37-V42 HydrophobicContact CG-CG1 4.43Å; R37-K286 VanDerWaalsContact NH2-CE 3.34Å; R37-L291 HydrophobicContact CB-CD1 4.33Å; R37-L291 HydrophobicContact CG-CD1 4.38Å
38S94Very high92.3Very high3 Ų344 Ų442%0.02122%0.218CC..  trans-88.1164.9169.373.10000111L27 E40 C41 V42L27-S38 VanDerWaalsContact CD2-CA 3.47Å; S38-E40 PolarHBondContact O-N 2.79Å; S38-E40 PolarHBondContact OG-N 3.42Å; S38-C41 PolarHBondContact O-N 3.07Å; S38-C41 VanDerWaalsContact O-N 3.13Å; S38-C41 PolarHBondContact OG-N 3.37Å; S38-C41 PolarHBondContact OG-SG 2.9Å; S38-V42 WeakPolarHBondContact O-CG1 3.45Å; S38-V42 PolarHBondContact O-N 2.86Å
39L91.9Very high92.3Very high56 Ų5643.4 Ų43.429%0.29322%0.216SC..THydrogen-bonded Turntrans-59-24.4173.1-170.764.4000112.8Y28 V42 H44 L282Y28-L39 HydrophobicContact CE2-CD1 4.12Å; L39-V42 HydrophobicContact CD1-CG2 4.38Å; L39-V42 VanDerWaalsContact O-CG2 3.27Å; L39-V42 WeakPolarHBondContact O-CG2 3.43Å; L39-H44 VanDerWaalsContact CD1-NE2 3.32Å; L39-H44 WeakPolarHBondContact CD1-NE2 3.48Å; L39-H44 PolarHBondContact O-CE1 2.71Å; L39-H44 PolarHBondContact O-NE2 2.59Å; L39-L282 HydrophobicContact CD1-CD1 3.99Å; L39-L282 HydrophobicContact CD1-CD2 4Å
40E90.1Very high92.4Very high129 Ų12945.6 Ų45.660%0.60323%0.225SC*.THydrogen-bonded Turntrans-82.1-30.6177.4-60.4-175-174.600113S38 R285S38-E40 PolarHBondContact O-N 2.79Å; S38-E40 PolarHBondContact OG-N 3.42Å; E40-R285 PolarHBondContact O-NH2 3.49Å; E40-R285 VanDerWaalsContact O-NH2 3.16Å
41C90.1Very high92.5Very high16 Ų1645.6 Ų45.611%0.10823%0.225CC..THydrogen-bonded Turntrans-84.1-10-178.5-62.70000113.6S38 R285S38-C41 PolarHBondContact O-N 3.07Å; S38-C41 VanDerWaalsContact O-N 3.13Å; S38-C41 PolarHBondContact OG-N 3.37Å; S38-C41 PolarHBondContact OG-SG 2.9Å; C41-R285 VanDerWaalsContact O-CD 3.32Å; C41-R285 WeakPolarHBondContact O-CD 3.45Å; C41-R285 WeakPolarHBondContact O-CG 3.49Å; C41-R285 PolarHBondContact O-NE 2.97Å
42V92.7Very high92.8Very high2 Ų244.7 Ų44.71%0.01223%0.229CC..EExtended strand (participates in β ladder)trans-90.8167178.4-63.40000111.5R37 S38 L39 L282 R283 R285 L291R37-V42 HydrophobicContact CB-CG1 3.8Å; R37-V42 HydrophobicContact CG-CG1 4.43Å; S38-V42 WeakPolarHBondContact O-CG1 3.45Å; S38-V42 PolarHBondContact O-N 2.86Å; L39-V42 HydrophobicContact CD1-CG2 4.38Å; L39-V42 VanDerWaalsContact O-CG2 3.27Å; L39-V42 WeakPolarHBondContact O-CG2 3.43Å; V42-L282 HydrophobicContact CG2-CB 4.46Å; V42-L282 HydrophobicContact CG2-CD2 4.17Å; V42-R283 WeakPolarHBondContact CB-O 3.38Å; V42-R285 PolarHBondContact O-NE 3.07Å; V42-R285 PolarHBondContact O-NH2 3.02Å; V42-R285 VanDerWaalsContact O-NH2 3.14Å; V42-L291 HydrophobicContact CB-CD1 4.47Å; V42-L291 HydrophobicContact CG1-CD1 3.43Å; V42-L291 VanDerWaalsContact CG1-CD1 3.43Å
43S93.9Very high93.1Very high40 Ų4041.8 Ų41.828%0.2823%0.225SC..EExtended strand (participates in β ladder)trans-94.9136.8166.949.70000110.2R283S43-R283 PolarHBondContact N-O 3.35Å; S43-R283 PolarHBondContact O-N 3.38Å; S43-R283 WeakPolarHBondContact OG-CB 3.27Å; S43-R283 PolarHBondContact OG-O 3.01Å
44H95.2Very high93.3Very high105 Ų10542.5 Ų42.549%0.48623%0.23SC..EExtended strand (participates in β ladder)trans-96.9126.7178.6-67.4151.2000110.3L39 L282L39-H44 VanDerWaalsContact CD1-NE2 3.32Å; L39-H44 WeakPolarHBondContact CD1-NE2 3.48Å; L39-H44 PolarHBondContact O-CE1 2.71Å; L39-H44 PolarHBondContact O-NE2 2.59Å; H44-L282 WeakPolarHBondContact CD2-CD2 3.24Å
45E94.1Very high93.5Very high77 Ų7745 Ų4536%0.3624%0.242SC..EExtended strand (participates in β ladder)trans-118.4149.2172.9-65.5-173.9165.500110.7R280 S281 R283E45-R280 WeakPolarHBondContact O-CA 3.4Å; E45-S281 PolarHBondContact N-O 3.39Å; E45-S281 PolarHBondContact O-N 2.86Å; E45-R283 WeakPolarHBondContact OE1-CD 3.39Å; E45-R283 IonicContact OE1-CZ 3.62Å; E45-R283 IonicContact OE1-NE 2.74Å; E45-R283 PolarHBondContact OE1-NE 3.06Å; E45-R283 IonicContact OE2-CZ 3.5Å; E45-R283 IonicContact OE2-NE 3.08Å; E45-R283 PolarHBondContact OE2-NE 2.93Å; E45-R283 IonicContact OE2-NH2 3.21Å; E45-R283 PolarHBondContact OE2-NH2 2.98Å
46V94.1Very high93.6Very high83 Ų8346.7 Ų46.750%0.50325%0.249SC..EExtended strand (participates in β ladder)trans-90.3116173-175.50000107.7I278V46-I278 HydrophobicContact CG1-CB 4.33Å; V46-I278 HydrophobicContact CG1-CD1 4.49Å; V46-I278 HydrophobicContact CG2-CD1 4.02Å
47D91.3Very high93.6Very high43 Ų4347.5 Ų47.523%0.2325%0.254CS..EExtended strand (participates in β ladder)trans-93.5-44.1-179.9-16763.2000111.7K279 K293D47-K279 PolarHBondContact N-O 2.63Å; D47-K293 VanDerWaalsContact OD1-CE 3.24Å; D47-K293 WeakPolarHBondContact OD1-CE 3.36Å; D47-K293 IonicContact OD1-NZ 3.07Å; D47-K293 PolarHBondContact OD1-NZ 2.78Å
48S92.4Very high93.6Very high2 Ų247.9 Ų47.91%0.01426%0.256CS..EExtended strand (participates in β ladder)trans-156.1161.2177.551.30000113N57 I278 K279S48-N57 WeakPolarHBondContact CB-ND2 3.39Å; S48-I278 CarbonylContact O-C 3.58Å; S48-I278 WeakPolarHBondContact O-CA 3.46Å; S48-K279 PolarHBondContact O-N 3.34Å
49H95.1Very high93.6Very high24 Ų2451.3 Ų51.311%0.11128%0.278CS..EExtended strand (participates in β ladder)trans-110.3140.4175.1-53.2-82.7000109.3N57 M58 A63 L276 L277H49-N57 CarbonylContact O-C 3.59Å; H49-N57 WeakPolarHBondContact O-CA 3.5Å; H49-N57 PolarHBondContact O-OD1 2.82Å; H49-M58 PolarHBondContact O-N 2.78Å; H49-A63 HydrophobicContact CB-CB 4.31Å; H49-L276 HydrophobicContact CB-CD1 4.16Å; H49-L277 CarbonylContact C-O 3.56Å; H49-L277 WeakPolarHBondContact CA-O 3.39Å
50Y95.8Very high93.6Very high47 Ų4751.9 Ų51.918%0.18429%0.287CS..EExtended strand (participates in β ladder)trans-146.4154.217671.6-78.8000112L55 E56 L276 L277 K279 P298Y50-L55 HydrophobicContact CD2-CD2 4.48Å; Y50-E56 CarbonylContact C-O 3.57Å; Y50-E56 WeakPolarHBondContact CA-O 3.37Å; Y50-E56 WeakPolarHBondContact CB-O 3.19Å; Y50-L276 WeakPolarHBondContact O-CA 3.28Å; Y50-L277 HydrophobicContact CD1-CB 4.31Å; Y50-L277 HydrophobicContact CE1-CB 3.76Å; Y50-L277 HydrophobicContact CE2-CB 4.32Å; Y50-L277 HydrophobicContact CE2-CD1 4.49Å; Y50-L277 PolarHBondContact N-O 3.31Å; Y50-L277 PolarHBondContact O-N 2.72Å; Y50-K279 HydrophobicContact CD1-CG 4.01Å; Y50-K279 HydrophobicContact CE1-CG 3.84Å; Y50-P298 HydrophobicContact CD2-CB 3.84Å; Y50-P298 HydrophobicContact CD2-CG 4.41Å; Y50-P298 HydrophobicContact CG-CB 4.03Å; Y50-P298 HydrophobicContact CG-CG 4.15Å
51C95.9Very high93.9Very high0 Ų049.6 Ų49.60%029%0.29CS..  trans-83.4129.5172.8-176.40000110S53 C54 L55 E56 C70 L276C51-S53 PolarHBondContact O-N 3.01Å; C51-S53 PolarHBondContact SG-N 3.06Å; C51-C54 WeakPolarHBondContact CB-SG 3.48Å; C51-L55 WeakPolarHBondContact O-CA 3.36Å; C51-L55 PolarHBondContact O-N 3.37Å; C51-E56 PolarHBondContact N-O 2.9Å; C51-C70 HydrophobicContact CB-CB 4.04Å; C51-L276 HydrophobicContact CB-CD2 4.01Å
52P95.4Very high94.1Very high53 Ų5352.3 Ų52.334%0.34430%0.301SS..THydrogen-bonded Turntrans-71.1-12.317828.5-34.9000113.7K274 L277P52-K274 HydrophobicContact CG-CD 4.34Å; P52-L277 HydrophobicContact CB-CD1 3.77Å; P52-L277 HydrophobicContact CB-CG 4.2Å; P52-L277 HydrophobicContact CG-CD1 4.14Å; P52-L277 HydrophobicContact CG-CG 4.06Å
53S94.6Very high94.2Very high56 Ų5652.2 Ų52.239%0.39230%0.301SS..THydrogen-bonded Turntrans-96.2-57.2179.1-1710000113C51 L55 T82C51-S53 PolarHBondContact O-N 3.01Å; C51-S53 PolarHBondContact SG-N 3.06Å; S53-L55 VanDerWaalsContact C-N 3.34Å; S53-T82 WeakPolarHBondContact OG-CG2 3.48Å
54C93.8Very high94.2Very high51 Ų5158.5 Ų58.535%0.34532%0.323SS..THydrogen-bonded Turntrans-85.5-8.4-18062.70000113.3C51 E56C51-C54 WeakPolarHBondContact CB-SG 3.48Å; C54-E56 PolarHBondContact O-N 3.07Å
55L94.6Very high94.2Very high74 Ų7460.6 Ų60.639%0.38734%0.337SS..  trans55.722.8-178.2-56.1178.3000113.6Y50 C51 S53 P298 T299Y50-L55 HydrophobicContact CD2-CD2 4.48Å; C51-L55 WeakPolarHBondContact O-CA 3.36Å; C51-L55 PolarHBondContact O-N 3.37Å; S53-L55 VanDerWaalsContact C-N 3.34Å; L55-P298 HydrophobicContact CB-CB 4.23Å; L55-P298 WeakPolarHBondContact O-CB 3.38Å; L55-P298 VanDerWaalsContact O-CG 3.25Å; L55-P298 WeakPolarHBondContact O-CG 3.37Å; L55-T299 HydrophobicContact CB-CG2 4.32Å; L55-T299 HydrophobicContact CD1-CG2 3.71Å
56E93.2Very high94.1Very high99 Ų9960.6 Ų60.646%0.46334%0.336SS..  trans-74.1134.1168.5-85.8-174.8132.600110.3Y50 C51 C54Y50-E56 CarbonylContact C-O 3.57Å; Y50-E56 WeakPolarHBondContact CA-O 3.37Å; Y50-E56 WeakPolarHBondContact CB-O 3.19Å; C51-E56 PolarHBondContact N-O 2.9Å; C54-E56 PolarHBondContact O-N 3.07Å
57N93.8Very high94.1Very high33 Ų3364.2 Ų64.218%0.17634%0.344CS..EExtended strand (participates in β ladder)trans-84.4137.4167.6-162.6-41.2000109.4S48 H49 F296 P298S48-N57 WeakPolarHBondContact CB-ND2 3.39Å; H49-N57 CarbonylContact O-C 3.59Å; H49-N57 WeakPolarHBondContact O-CA 3.5Å; H49-N57 PolarHBondContact O-OD1 2.82Å; N57-F296 HydrophobicContact CB-CD1 4.42Å; N57-F296 HydrophobicContact CB-CE1 3.79Å; N57-F296 HydrophobicContact CB-CZ 4Å; N57-F296 WeakPolarHBondContact ND2-CD1 3.37Å; N57-F296 VanDerWaalsContact ND2-CD2 3.32Å; N57-F296 WeakPolarHBondContact ND2-CD2 3.3Å; N57-F296 WeakPolarHBondContact ND2-CE1 3.42Å; N57-F296 WeakPolarHBondContact ND2-CE2 3.24Å; N57-F296 WeakPolarHBondContact ND2-CG 2.88Å; N57-F296 WeakPolarHBondContact ND2-CZ 3.42Å; N57-F296 PolarHBondContact ND2-O 3.02Å; N57-F296 WeakPolarHBondContact OD1-CE2 3.26Å; N57-F296 WeakPolarHBondContact OD1-CZ 3.29Å; N57-P298 HydrophobicContact CB-CG 3.91Å
58M93.3Very high94.3Very high12 Ų1265.5 Ų65.56%0.05935%0.352CS..EExtended strand (participates in β ladder)trans-119.5133.2176.9-85.6-162.1-79.600112.1H49 E62 K66 C70 L276H49-M58 PolarHBondContact O-N 2.78Å; M58-E62 HydrophobicContact SD-CG 4.24Å; M58-K66 HydrophobicContact SD-CD 4.28Å; M58-C70 HydrophobicContact CE-CB 4.4Å; M58-L276 HydrophobicContact CE-CD1 3.25Å; M58-L276 HydrophobicContact CE-CD2 3.14Å; M58-L276 HydrophobicContact CE-CG 3.7Å; M58-L276 HydrophobicContact SD-CD1 4.48Å
59P93.7Very high94.4Very high75 Ų7567.8 Ų67.849%0.48736%0.36SS..  trans-59.4148.3171.2-21.432.5000112.2A61 E62 A63P59-A61 VanDerWaalsContact C-N 3.3Å; P59-A61 PolarHBondContact O-N 2.79Å; P59-E62 PolarHBondContact O-N 2.84Å; P59-E62 VanDerWaalsContact O-N 3.12Å; P59-A63 PolarHBondContact O-N 2.96Å
60S93.3Very high94.4Very high69 Ų6966.7 Ų66.748%0.48336%0.355SS..Hα-helixtrans-61.2-33.6-177.2-55.70000114.1K64S60-K64 WeakPolarHBondContact O-CB 3.46Å; S60-K64 PolarHBondContact O-N 2.62Å
61A94.8Very high94.1Very high81 Ų8166.2 Ų66.267%0.66936%0.361SS*.Hα-helixtrans-65.5-41.6176.300000111.9P59 K64 L65P59-A61 VanDerWaalsContact C-N 3.3Å; P59-A61 PolarHBondContact O-N 2.79Å; A61-K64 PolarHBondContact O-N 3Å; A61-L65 PolarHBondContact O-N 3.02Å; A61-L65 VanDerWaalsContact O-N 3.09Å
62E94.9Very high93.8Very high73 Ų7370 Ų7034%0.34138%0.381SS..Hα-helixtrans-70.3-42.8176.9-175176.9177.400111.4M58 P59 K64 L65 K66M58-E62 HydrophobicContact SD-CG 4.24Å; P59-E62 PolarHBondContact O-N 2.84Å; P59-E62 VanDerWaalsContact O-N 3.12Å; E62-K64 VanDerWaalsContact C-N 3.28Å; E62-K64 PolarHBondContact O-N 2.81Å; E62-L65 PolarHBondContact O-N 2.65Å; E62-K66 HydrophobicContact CG-CD 4.04Å; E62-K66 HydrophobicContact CG-CG 4.5Å; E62-K66 WeakPolarHBondContact O-CB 3.22Å; E62-K66 PolarHBondContact O-N 3.5Å; E62-K66 WeakPolarHBondContact OE1-CE 3.31Å; E62-K66 IonicContact OE1-NZ 2.7Å; E62-K66 PolarHBondContact OE1-NZ 2.62Å
63A94.5Very high93.8Very high0 Ų068.2 Ų68.20%037%0.37CS..Hα-helixtrans-57.4-43.117400000111.2H49 P59 K66 K67 N68 L276H49-A63 HydrophobicContact CB-CB 4.31Å; P59-A63 PolarHBondContact O-N 2.96Å; A63-K66 CarbonylContact O-C 3.47Å; A63-K66 PolarHBondContact O-N 2.82Å; A63-K67 PolarHBondContact O-N 3.17Å; A63-K67 VanDerWaalsContact O-N 3.08Å; A63-N68 PolarHBondContact O-N 3.28Å; A63-L276 HydrophobicContact CB-CD1 4.1Å
64K95.1Very high93.8Very high172 Ų17266 Ų6675%0.74835%0.353SS*.Hα-helixtrans-60.7-46.3175.1-176.7-179.6177.8-177.60112.1S60 A61 E62 K67S60-K64 WeakPolarHBondContact O-CB 3.46Å; S60-K64 PolarHBondContact O-N 2.62Å; A61-K64 PolarHBondContact O-N 3Å; E62-K64 VanDerWaalsContact C-N 3.28Å; E62-K64 PolarHBondContact O-N 2.81Å; K64-K67 PolarHBondContact O-N 3.48Å
65L93.9Very high93.9Very high148 Ų14865.1 Ų65.178%0.77535%0.345SS*.Hα-helixtrans-63-42.5178.7-176.467000111.7A61 E62 K67A61-L65 PolarHBondContact O-N 3.02Å; A61-L65 VanDerWaalsContact O-N 3.09Å; E62-L65 PolarHBondContact O-N 2.65Å; L65-K67 VanDerWaalsContact C-N 3.26Å; L65-K67 PolarHBondContact O-N 3.3Å
66K92.6Very high93.9Very high77 Ų7761.6 Ų61.634%0.33533%0.327SS..THydrogen-bonded Turntrans-86.316.7179.5-65.3-178.1175.6172.10113.7M58 E62 A63 N68 R69 A71M58-K66 HydrophobicContact SD-CD 4.28Å; E62-K66 HydrophobicContact CG-CD 4.04Å; E62-K66 HydrophobicContact CG-CG 4.5Å; E62-K66 WeakPolarHBondContact O-CB 3.22Å; E62-K66 PolarHBondContact O-N 3.5Å; E62-K66 WeakPolarHBondContact OE1-CE 3.31Å; E62-K66 IonicContact OE1-NZ 2.7Å; E62-K66 PolarHBondContact OE1-NZ 2.62Å; A63-K66 CarbonylContact O-C 3.47Å; A63-K66 PolarHBondContact O-N 2.82Å; K66-N68 VanDerWaalsContact C-N 3.27Å; K66-N68 PolarHBondContact O-N 2.87Å; K66-R69 WeakPolarHBondContact O-CB 3.46Å; K66-R69 PolarHBondContact O-N 2.81Å; K66-A71 HydrophobicContact CD-CB 4.23Å
67K94.1Very high94Very high159 Ų15957.4 Ų57.469%0.69131%0.308SS*.THydrogen-bonded Turntrans52.140.9177.6-55.7179-179.8176.20113.8A63 K64 L65 R69A63-K67 PolarHBondContact O-N 3.17Å; A63-K67 VanDerWaalsContact O-N 3.08Å; K64-K67 PolarHBondContact O-N 3.48Å; L65-K67 VanDerWaalsContact C-N 3.26Å; L65-K67 PolarHBondContact O-N 3.3Å; K67-R69 VanDerWaalsContact C-N 3.3Å; K67-R69 PolarHBondContact O-N 2.87Å
68N95.9Very high93.9Very high71 Ų7157 Ų5738%0.3831%0.312SS..THydrogen-bonded Turntrans57.934.5-177.2-57.9-38.5000114.4A63 K66 L276A63-N68 PolarHBondContact O-N 3.28Å; K66-N68 VanDerWaalsContact C-N 3.27Å; K66-N68 PolarHBondContact O-N 2.87Å; N68-L276 WeakPolarHBondContact O-CB 2.9Å; N68-L276 VanDerWaalsContact O-CG 3.31Å; N68-L276 WeakPolarHBondContact O-CG 3.31Å; N68-L276 PolarHBondContact O-N 2.79Å
69R94.8Very high93.9Very high49 Ų4957.8 Ų57.819%0.18532%0.318CS..EExtended strand (participates in β ladder)trans-120.4150.7177.5-56.3-58.9-172124-3.6112.6K66 K67 H273 K274K66-R69 WeakPolarHBondContact O-CB 3.46Å; K66-R69 PolarHBondContact O-N 2.81Å; K67-R69 VanDerWaalsContact C-N 3.3Å; K67-R69 PolarHBondContact O-N 2.87Å; R69-H273 HydrophobicContact CB-CB 3.59Å; R69-H273 WeakPolarHBondContact CD-O 3.47Å; R69-H273 HydrophobicContact CG-CB 4.15Å; R69-H273 PolarHBondContact NH1-O 3.38Å; R69-K274 WeakPolarHBondContact CA-O 3.33Å
70C94.1Very high93.9Very high2 Ų258.2 Ų58.21%0.01431%0.314CS..EExtended strand (participates in β ladder)trans-78.4132172.2-179.60000110.7C51 M58 N72 C73 H273 K274 L276C51-C70 HydrophobicContact CB-CB 4.04Å; M58-C70 HydrophobicContact CE-CB 4.4Å; C70-N72 VanDerWaalsContact C-N 3.34Å; C70-N72 PolarHBondContact O-N 2.95Å; C70-N72 PolarHBondContact SG-N 3.12Å; C70-C73 HydrophobicContact CB-CB 4.19Å; C70-C73 PolarHBondContact SG-N 2.89Å; C70-H273 WeakPolarHBondContact O-CB 3.33Å; C70-H273 PolarHBondContact O-ND1 2.75Å; C70-K274 HydrophobicContact CB-CB 4.47Å; C70-K274 PolarHBondContact N-O 2.91Å; C70-L276 HydrophobicContact CB-CD2 3.99Å
71A88.9Confident94Very high37 Ų3759.5 Ų59.531%0.30631%0.313SS..EExtended strand (participates in β ladder)trans-69.7-29.4178.700000113.7K66 H273K66-A71 HydrophobicContact CD-CB 4.23Å; A71-H273 PolarHBondContact O-CE1 2.94Å; A71-H273 PolarHBondContact O-ND1 3.33Å
72N91.1Very high94Very high78 Ų7857.1 Ų57.142%0.41729%0.29SS..EExtended strand (participates in β ladder)trans-94.6-32.3-172.1-65.3-39.7000113.2C70 S130C70-N72 VanDerWaalsContact C-N 3.34Å; C70-N72 PolarHBondContact O-N 2.95Å; C70-N72 PolarHBondContact SG-N 3.12Å; N72-S130 PolarHBondContact OD1-OG 3.16Å
73C94.6Very high94.1Very high16 Ų1654.4 Ų54.411%0.10828%0.278CS..EExtended strand (participates in β ladder)trans-99.2145.4-174.2-630000111C70 H273 K274C70-C73 HydrophobicContact CB-CB 4.19Å; C70-C73 PolarHBondContact SG-N 2.89Å; C73-H273 CarbonylContact O-C 3.59Å; C73-H273 WeakPolarHBondContact O-CA 3.35Å; C73-K274 HydrophobicContact CB-CB 3.7Å; C73-K274 HydrophobicContact CB-CD 4.06Å; C73-K274 HydrophobicContact CB-CG 4.47Å; C73-K274 PolarHBondContact O-N 2.96Å
74F95.2Very high94.1Very high11 Ų1157 Ų575%0.04830%0.295CS..EExtended strand (participates in β ladder)trans-127.7150.5178.3-62.4-92.4000110.8L83 L109 W133 R272 H273F74-L83 HydrophobicContact CB-CB 4.22Å; F74-L83 HydrophobicContact CB-CD1 3.79Å; F74-L83 HydrophobicContact CB-CG 4.46Å; F74-L83 PolarHBondContact O-N 3.05Å; F74-L109 HydrophobicContact CD2-CD1 4.27Å; F74-L109 HydrophobicContact CD2-CD2 4.3Å; F74-L109 HydrophobicContact CG-CD1 4.34Å; F74-W133 HydrophobicContact CE1-CB 4.33Å; F74-W133 HydrophobicContact CE2-CB 3.99Å; F74-W133 HydrophobicContact CE2-CG 4.28Å; F74-W133 HydrophobicContact CZ-CB 3.5Å; F74-W133 HydrophobicContact CZ-CG 4.26Å; F74-R272 WeakPolarHBondContact CA-O 3.39Å; F74-H273 AromaticContact CD1-ND1 3.95Å; F74-H273 AromaticContact CE1-CE1 3.29Å; F74-H273 WeakPolarHBondContact CE1-CE1 3.21Å; F74-H273 AromaticContact CE1-CG 3.83Å; F74-H273 AromaticContact CE1-ND1 3.35Å; F74-H273 WeakPolarHBondContact CE1-ND1 3.21Å; F74-H273 AromaticContact CE1-NE2 3.73Å; F74-H273 AromaticContact CZ-CE1 3.26Å; F74-H273 WeakPolarHBondContact CZ-CE1 3.43Å; F74-H273 AromaticContact CZ-ND1 3.55Å
75D95.8Very high94Very high31 Ų3152.3 Ų52.317%0.16628%0.281CS..EExtended strand (participates in β ladder)trans-102135.9171.2-70.3-33.2000110R272 K274D75-R272 PolarHBondContact N-O 2.83Å; D75-K274 WeakPolarHBondContact OD1-CD 3.36Å; D75-K274 WeakPolarHBondContact OD1-CG 3.33Å; D75-K274 IonicContact OD1-NZ 3.99Å; D75-K274 PolarHBondContact OD1-NZ 2.94Å; D75-K274 WeakPolarHBondContact OD2-CA 3.34Å
76C95.2Very high94Very high1 Ų150.6 Ų50.61%0.00727%0.265CS..  trans-64.8123.9176.1-179.40000108.7G78 M80 H81 L83 C111C76-G78 PolarHBondContact O-N 3.43Å; C76-M80 VanDerWaalsContact O-CA 3.31Å; C76-M80 WeakPolarHBondContact O-CA 3.41Å; C76-M80 PolarHBondContact O-N 2.83Å; C76-H81 WeakPolarHBondContact CB-O 3.44Å; C76-H81 PolarHBondContact N-O 2.94Å; C76-L83 HydrophobicContact CB-CD2 3.67Å; C76-L83 HydrophobicContact CB-CG 3.99Å; C76-C111 HydrophobicContact CB-CB 4.14Å
77P93.8Very high93.9Very high10 Ų1050 Ų507%0.06527%0.274CS..THydrogen-bonded Turntrans-73.4-20.8-174.632.8-37.4000112.2W116 Q254 L269P77-W116 HydrophobicContact CG-CH2 4.45Å; P77-W116 HydrophobicContact CG-CZ2 3.95Å; P77-Q254 WeakPolarHBondContact O-CG 3.47Å; P77-L269 HydrophobicContact CB-CD1 3.98Å; P77-L269 HydrophobicContact CB-CD2 3.74Å; P77-L269 HydrophobicContact CB-CG 3.56Å; P77-L269 HydrophobicContact CG-CD2 4Å; P77-L269 HydrophobicContact CG-CG 3.86Å
78G91.9Very high93.7Very high26 Ų2644.5 Ų44.527%0.26825%0.254SS..THydrogen-bonded Turntrans-72.8-44.2175.700000115.4C76 Q254C76-G78 PolarHBondContact O-N 3.43Å; G78-Q254 PolarHBondContact O-NE2 2.87Å
79C93.5Very high93Very high28 Ų2845.6 Ų45.619%0.18927%0.267CS..THydrogen-bonded Turntrans-1325.2-169.768.90000115.3H81 C111 F113 C114C79-H81 PolarHBondContact O-N 3.26Å; C79-C111 PolarHBondContact SG-SG 3.16Å; C79-F113 HydrophobicContact CB-CD1 3.8Å; C79-F113 HydrophobicContact CB-CE1 4.24Å; C79-C114 HydrophobicContact CB-CB 4.19Å; C79-C114 PolarHBondContact SG-SG 2.73Å
80M93.1Very high92.2Very high83 Ų8346.9 Ų46.941%0.40928%0.277SS..  trans62.812.5177.5-52.379.166.600115.2C76 L257C76-M80 VanDerWaalsContact O-CA 3.31Å; C76-M80 WeakPolarHBondContact O-CA 3.41Å; C76-M80 PolarHBondContact O-N 2.83Å; M80-L257 HydrophobicContact CG-CD1 3.55Å; M80-L257 HydrophobicContact SD-CD1 4.06Å
81H95.7Very high91.2Very high96 Ų9650.8 Ų50.844%0.44430%0.304SS..PPolyproline II helixtrans-82.3150.2173-167.876.9000111.4C76 C79 L83 F113C76-H81 WeakPolarHBondContact CB-O 3.44Å; C76-H81 PolarHBondContact N-O 2.94Å; C79-H81 PolarHBondContact O-N 3.26Å; H81-L83 PolarHBondContact O-N 2.81Å; H81-F113 HydrophobicContact CB-CB 4.47Å
82T96.2Very high90Very high32 Ų3251.8 Ų51.820%0.19631%0.307CS..BIsolated β-bridgetrans-61.7132.5177.2-44.20000111.5S53 K274S53-T82 WeakPolarHBondContact OG-CG2 3.48Å; T82-K274 HydrophobicContact CG2-CD 4.03Å; T82-K274 WeakPolarHBondContact OG1-CE 3.4Å; T82-K274 PolarHBondContact OG1-NZ 2.77Å
83L95.8Very high88.7Confident16 Ų1654.4 Ų54.48%0.08432%0.316CS..EExtended strand (participates in β ladder)trans-78.7149.1174-68.3169.3000111.3F74 C76 H81 L109 C111 W116 P271F74-L83 HydrophobicContact CB-CB 4.22Å; F74-L83 HydrophobicContact CB-CD1 3.79Å; F74-L83 HydrophobicContact CB-CG 4.46Å; F74-L83 PolarHBondContact O-N 3.05Å; C76-L83 HydrophobicContact CB-CD2 3.67Å; C76-L83 HydrophobicContact CB-CG 3.99Å; H81-L83 PolarHBondContact O-N 2.81Å; L83-L109 HydrophobicContact CD1-CB 4.29Å; L83-L109 HydrophobicContact CD1-CD1 4.4Å; L83-C111 HydrophobicContact CD2-CB 3.88Å; L83-W116 HydrophobicContact CD1-CE3 4.42Å; L83-W116 HydrophobicContact CD1-CH2 4.48Å; L83-W116 HydrophobicContact CD1-CZ3 3.71Å; L83-W116 HydrophobicContact CD2-CE3 3.71Å; L83-W116 HydrophobicContact CD2-CZ3 3.78Å; L83-W116 HydrophobicContact CG-CZ3 4.43Å; L83-P271 HydrophobicContact CD1-CB 3.59Å; L83-P271 HydrophobicContact CD1-CG 4.5Å
84S94.7Very high87Confident53 Ų5356.8 Ų56.837%0.37133%0.328SS..EExtended strand (participates in β ladder)trans-114.7144.217050.10000110.5A110S84-A110 PolarHBondContact N-O 3.2Å; S84-A110 PolarHBondContact O-N 2.96Å; S84-A110 PolarHBondContact OG-O 3.18Å
85T93.5Very high85.5Confident74 Ų7462.1 Ų62.145%0.45436%0.363SS..EExtended strand (participates in β ladder)trans-80.2124.4173.541.40000109.5L109T85-L109 HydrophobicContact CG2-CD2 3.59Å
86R92.8Very high83.8Confident113 Ų11368 Ų6843%0.42640%0.395SS..EExtended strand (participates in β ladder)trans-113.8142.6176.2-67.2-170.3175.2-136.4-3.8109.7Y107 Y108 A110R86-Y107 VanDerWaalsContact O-CA 3.3Å; R86-Y107 WeakPolarHBondContact O-CA 3.2Å; R86-Y108 HydrophobicContact CB-CD1 4.12Å; R86-Y108 HydrophobicContact CB-CE1 3.55Å; R86-Y108 HydrophobicContact CB-CE2 4.17Å; R86-Y108 WeakPolarHBondContact CD-OH 3.46Å; R86-Y108 PolarHBondContact N-O 3.41Å; R86-Y108 WeakPolarHBondContact O-CD1 3.27Å; R86-Y108 PolarHBondContact O-N 3.28Å; R86-A110 HydrophobicContact CG-CB 4.17Å
87A91.8Very high82.1Confident63 Ų6371.3 Ų71.352%0.52141%0.413SS..EExtended strand (participates in β ladder)trans-104.2141.6179.700000111A106 Y107A87-A106 CarbonylContact C-O 3.56Å; A87-A106 WeakPolarHBondContact CA-O 3.46Å; A87-Y107 HydrophobicContact CB-CD1 3.84Å; A87-Y107 HydrophobicContact CB-CE1 3.67Å
88T88.6Confident80.5Confident45 Ų4575.6 Ų75.628%0.27644%0.44SS..EExtended strand (participates in β ladder)trans-132.6142.9168430000109.5A106 Y108 R119T88-A106 PolarHBondContact N-O 2.84Å; T88-A106 PolarHBondContact O-N 2.88Å; T88-Y108 HydrophobicContact CG2-CD1 4.48Å; T88-Y108 HydrophobicContact CG2-CE1 3.88Å; T88-R119 PolarHBondContact OG1-NH2 2.81Å
89S82.9Confident79.3Confident93 Ų9378.7 Ų78.765%0.6546%0.463SS*.EExtended strand (participates in β ladder)trans-85.9119.2173.251.50000109.8
90I77.9Confident77.9Confident76 Ų7683.4 Ų83.439%0.3948%0.48SS..EExtended strand (participates in β ladder)trans-107.6129.8174.9-54.7178.7000108T92 K104 A106I90-T92 PolarHBondContact O-N 2.83Å; I90-K104 PolarHBondContact N-O 3.06Å; I90-K104 PolarHBondContact O-N 2.79Å; I90-A106 HydrophobicContact CD1-CB 3.37Å; I90-A106 HydrophobicContact CG1-CB 3.77Å
91S71.8Confident76.6Confident85 Ų8583.7 Ų83.759%0.59449%0.487SS*.EExtended strand (participates in β ladder)trans-76114.5170.550.10000109.3T101S91-T101 VanDerWaalsContact CB-CG2 3.45Å
92T65.1Low75.4Confident58 Ų5881.8 Ų81.836%0.35648%0.482SS..EExtended strand (participates in β ladder)trans-114.6132.1174.1-410000109.1I90 T102I90-T92 PolarHBondContact O-N 2.83Å; T92-T102 PolarHBondContact N-O 2.71Å; T92-T102 PolarHBondContact O-N 3.12Å
93Q63.4Low74.4Confident133 Ų13387.6 Ų87.662%0.62151%0.509SS*.EExtended strand (participates in β ladder)trans-68.2138.4172.8-67.8175.8-9.800109.4
94L58.9Low73.6Confident66 Ų6692.4 Ų92.435%0.34653%0.529SS..EExtended strand (participates in β ladder)trans-70.1136.4176.2-86.8151.2000109.9D96 D97 K100 T102L94-D96 PolarHBondContact O-N 2.83Å; L94-D97 PolarHBondContact O-N 3.49Å; L94-K100 HydrophobicContact CD1-CB 3.8Å; L94-K100 PolarHBondContact N-O 2.84Å; L94-T102 VanDerWaalsContact CD1-OG1 3.25Å; L94-T102 WeakPolarHBondContact CD1-OG1 3.32Å
95P62.7Low73.3Confident123 Ų12397 Ų9780%0.79954%0.543SS*.THydrogen-bonded Turntrans-57.9-30.1177-23.332.4000113.7
96D60.8Low73.1Confident155 Ų15594 Ų9483%0.82953%0.525SS*.THydrogen-bonded Turntrans-90.4-11.2-175.8-70.8-37.9000114.3L94L94-D96 PolarHBondContact O-N 2.83Å
97D59.3Low73.1Confident70 Ų7090.9 Ų90.937%0.37451%0.514SS..EExtended strand (participates in β ladder)trans-160.798.5-174.2-129.9-11.3000111.3L94 A99 K100L94-D97 PolarHBondContact O-N 3.49Å; D97-A99 PolarHBondContact O-N 2.88Å; D97-K100 PolarHBondContact O-N 2.79Å; D97-K100 VanDerWaalsContact O-N 3.13Å; D97-K100 IonicContact OD2-NZ 3.4Å; D97-K100 PolarHBondContact OD2-NZ 3.39Å
98P61.3Low73.2Confident99 Ų9989.7 Ų89.764%0.64350%0.496SS*.EExtended strand (participates in β ladder)trans-67-9.7-174.524.2-32000114.4
99A65.6Low73.5Confident91 Ų9187.7 Ų87.775%0.75248%0.484SS*.EExtended strand (participates in β ladder)trans-86.7-14.2176.100000113.9D97D97-A99 PolarHBondContact O-N 2.88Å
100K63.9Low74.2Confident127 Ų12783.6 Ų83.655%0.55246%0.455SS*.EExtended strand (participates in β ladder)trans-105.1111.5179.9-73.5176.2-175.3151.30110.8L94 D97L94-K100 HydrophobicContact CD1-CB 3.8Å; L94-K100 PolarHBondContact N-O 2.84Å; D97-K100 PolarHBondContact O-N 2.79Å; D97-K100 VanDerWaalsContact O-N 3.13Å; D97-K100 IonicContact OD2-NZ 3.4Å; D97-K100 PolarHBondContact OD2-NZ 3.39Å
101T66.8Low75.1Confident90 Ų9080 Ų8055%0.55244%0.437SS*.EExtended strand (participates in β ladder)trans-89.9121.6175.5-59.60000109.6S91S91-T101 VanDerWaalsContact CB-CG2 3.45Å
102T70.6Confident76.2Confident56 Ų5677.7 Ų77.734%0.34443%0.426SS..EExtended strand (participates in β ladder)trans-105131.6173.4-57.70000109.8T92 L94 K104T92-T102 PolarHBondContact N-O 2.71Å; T92-T102 PolarHBondContact O-N 3.12Å; L94-T102 VanDerWaalsContact CD1-OG1 3.25Å; L94-T102 WeakPolarHBondContact CD1-OG1 3.32Å; T102-K104 PolarHBondContact O-N 3.41Å
103M74.7Confident77.7Confident154 Ų15482.4 Ų82.476%0.75944%0.442SS*.EExtended strand (participates in β ladder)trans-79.1114.8173.3-65.5-174.1-176.200109.9
104K79.7Confident79.2Confident116 Ų11678.7 Ų78.750%0.50443%0.43SS..EExtended strand (participates in β ladder)trans-103.8136.5172.7-69.9-177.4-179.5176.50109.7I90 T102I90-K104 PolarHBondContact N-O 3.06Å; I90-K104 PolarHBondContact O-N 2.79Å; T102-K104 PolarHBondContact O-N 3.41Å
105K86.8Confident80.9Confident150 Ų15083.8 Ų83.865%0.65245%0.445SS*.EExtended strand (participates in β ladder)trans-74.1127.4171.2-67-175.4-179.8-179.90108.6Y107K105-Y107 HydrophobicContact CB-CE2 4.33Å
106A89.4Confident82.5Confident10 Ų1079.3 Ų79.38%0.08341%0.412CS..EExtended strand (participates in β ladder)trans-120.8136.7176.900000109.2A87 T88 I90 D125A87-A106 CarbonylContact C-O 3.56Å; A87-A106 WeakPolarHBondContact CA-O 3.46Å; T88-A106 PolarHBondContact N-O 2.84Å; T88-A106 PolarHBondContact O-N 2.88Å; I90-A106 HydrophobicContact CD1-CB 3.37Å; I90-A106 HydrophobicContact CG1-CB 3.77Å; A106-D125 HydrophobicContact CB-CB 3.97Å
107Y93.1Very high84.1Confident49 Ų4973.2 Ų73.219%0.19238%0.38CS..EExtended strand (participates in β ladder)trans-112.3138-176.9-61.4-86.7000110.6R86 A87 K105 D125 K126 S127 A129 W133R86-Y107 VanDerWaalsContact O-CA 3.3Å; R86-Y107 WeakPolarHBondContact O-CA 3.2Å; A87-Y107 HydrophobicContact CB-CD1 3.84Å; A87-Y107 HydrophobicContact CB-CE1 3.67Å; K105-Y107 HydrophobicContact CB-CE2 4.33Å; Y107-D125 VanDerWaalsContact O-CA 3.28Å; Y107-D125 WeakPolarHBondContact O-CA 3.33Å; Y107-D125 WeakPolarHBondContact O-CB 3.42Å; Y107-K126 WeakPolarHBondContact CD2-O 3.41Å; Y107-K126 PolarHBondContact N-O 3.29Å; Y107-K126 PolarHBondContact O-N 3.26Å; Y107-S127 WeakPolarHBondContact CE2-O 3.22Å; Y107-A129 HydrophobicContact CD1-CB 3.92Å; Y107-A129 HydrophobicContact CD2-CB 4.27Å; Y107-A129 HydrophobicContact CE1-CB 3.76Å; Y107-A129 HydrophobicContact CE2-CB 4.13Å; Y107-A129 HydrophobicContact CG-CB 4.17Å; Y107-W133 VanDerWaalsContact O-CH2 3.3Å; Y107-W133 WeakPolarHBondContact O-CH2 3.43Å; Y107-W133 VanDerWaalsContact O-CZ2 3.23Å; Y107-W133 WeakPolarHBondContact O-CZ2 3.44Å
108Y94.4Very high85.8Confident38 Ų3869.9 Ų69.915%0.14936%0.363CS..EExtended strand (participates in β ladder)trans-132.9158.3172.473.8-81.4000110.4R86 T88 A110 T117R86-Y108 HydrophobicContact CB-CD1 4.12Å; R86-Y108 HydrophobicContact CB-CE1 3.55Å; R86-Y108 HydrophobicContact CB-CE2 4.17Å; R86-Y108 WeakPolarHBondContact CD-OH 3.46Å; R86-Y108 PolarHBondContact N-O 3.41Å; R86-Y108 WeakPolarHBondContact O-CD1 3.27Å; R86-Y108 PolarHBondContact O-N 3.28Å; T88-Y108 HydrophobicContact CG2-CD1 4.48Å; T88-Y108 HydrophobicContact CG2-CE1 3.88Å; Y108-A110 HydrophobicContact CD2-CB 4.39Å; Y108-A110 HydrophobicContact CE2-CB 3.89Å; Y108-T117 HydrophobicContact CE2-CG2 4.3Å
109L95.4Very high87.3Confident3 Ų370.3 Ų70.32%0.01635%0.351CS..EExtended strand (participates in β ladder)trans-94.1139178.6-60.8166.9000110F74 L83 T85 T117 S118 W133 P271F74-L109 HydrophobicContact CD2-CD1 4.27Å; F74-L109 HydrophobicContact CD2-CD2 4.3Å; F74-L109 HydrophobicContact CG-CD1 4.34Å; L83-L109 HydrophobicContact CD1-CB 4.29Å; L83-L109 HydrophobicContact CD1-CD1 4.4Å; T85-L109 HydrophobicContact CG2-CD2 3.59Å; L109-T117 CarbonylContact O-C 3.57Å; L109-T117 WeakPolarHBondContact O-CA 3.42Å; L109-S118 PolarHBondContact N-OG 3.06Å; L109-S118 PolarHBondContact O-N 3.49Å; L109-W133 HydrophobicContact CD1-CD2 4.17Å; L109-W133 HydrophobicContact CD1-CE3 4.22Å; L109-W133 HydrophobicContact CG-CD2 4.4Å; L109-W133 HydrophobicContact CG-CH2 4.46Å; L109-W133 HydrophobicContact CG-CZ2 4.21Å; L109-P271 HydrophobicContact CD1-CG 4.16Å
110A96.5Very high88.7Confident6 Ų670.7 Ų70.75%0.0534%0.341CS..EExtended strand (participates in β ladder)trans-140.7144.4178.500000112.4S84 R86 Y108 W116S84-A110 PolarHBondContact N-O 3.2Å; S84-A110 PolarHBondContact O-N 2.96Å; S84-A110 PolarHBondContact OG-O 3.18Å; R86-A110 HydrophobicContact CG-CB 4.17Å; Y108-A110 HydrophobicContact CD2-CB 4.39Å; Y108-A110 HydrophobicContact CE2-CB 3.89Å; A110-W116 WeakPolarHBondContact CA-O 3.14Å
111C96.9Very high90Very high2 Ų265.3 Ų65.31%0.01432%0.318CS..EExtended strand (participates in β ladder)trans-90.7130.7173.1-171.90000111.5C76 C79 L83 F113 R115 W116C76-C111 HydrophobicContact CB-CB 4.14Å; C79-C111 PolarHBondContact SG-SG 3.16Å; L83-C111 HydrophobicContact CD2-CB 3.88Å; C111-F113 VanDerWaalsContact C-N 3.32Å; C111-F113 PolarHBondContact SG-N 3.21Å; C111-F113 VanDerWaalsContact SG-N 3.42Å; C111-R115 WeakPolarHBondContact O-CA 3.39Å; C111-R115 PolarHBondContact O-N 2.74Å; C111-W116 HydrophobicContact CB-CB 4.32Å; C111-W116 PolarHBondContact N-O 2.93Å
112G95.3Very high91.2Very high35 Ų3564.1 Ų64.136%0.36132%0.324SS..THydrogen-bonded Turntrans-68.4-29.5174.200000113.9R115G112-R115 PolarHBondContact O-NH1 3.24Å
113F96.4Very high92.2Very high157 Ų15763 Ų6369%0.68932%0.315SS*.THydrogen-bonded Turntrans-88.2-64.1-173.9-179.1-107.6000112.6C79 H81 C111C79-F113 HydrophobicContact CB-CD1 3.8Å; C79-F113 HydrophobicContact CB-CE1 4.24Å; H81-F113 HydrophobicContact CB-CB 4.47Å; C111-F113 VanDerWaalsContact C-N 3.32Å; C111-F113 PolarHBondContact SG-N 3.21Å; C111-F113 VanDerWaalsContact SG-N 3.42Å
114C94.3Very high93Very high55 Ų5558.8 Ų58.837%0.37231%0.306SS..THydrogen-bonded Turntrans-94.12-173.367.70000114.8C79 W116C79-C114 HydrophobicContact CB-CB 4.19Å; C79-C114 PolarHBondContact SG-SG 2.73Å; C114-W116 PolarHBondContact O-N 2.97Å; C114-W116 VanDerWaalsContact SG-CB 3.56Å
115R95Very high93.6Very high173 Ų17355.3 Ų55.365%0.65329%0.292SS*.  trans60.36.4-178.1-52.9-60.1-174.8-155.3-2.1116.4C111 G112 T117C111-R115 WeakPolarHBondContact O-CA 3.39Å; C111-R115 PolarHBondContact O-N 2.74Å; G112-R115 PolarHBondContact O-NH1 3.24Å; R115-T117 WeakPolarHBondContact O-CG2 3.13Å; R115-T117 PolarHBondContact O-N 2.76Å
116W95.6Very high93.7Very high29 Ų2951.1 Ų51.111%0.1127%0.274CS..  trans-52138.3169.5179.189.4000111.4P77 L83 A110 C111 C114 V121 P271P77-W116 HydrophobicContact CG-CH2 4.45Å; P77-W116 HydrophobicContact CG-CZ2 3.95Å; L83-W116 HydrophobicContact CD1-CE3 4.42Å; L83-W116 HydrophobicContact CD1-CH2 4.48Å; L83-W116 HydrophobicContact CD1-CZ3 3.71Å; L83-W116 HydrophobicContact CD2-CE3 3.71Å; L83-W116 HydrophobicContact CD2-CZ3 3.78Å; L83-W116 HydrophobicContact CG-CZ3 4.43Å; A110-W116 WeakPolarHBondContact CA-O 3.14Å; C111-W116 HydrophobicContact CB-CB 4.32Å; C111-W116 PolarHBondContact N-O 2.93Å; C114-W116 PolarHBondContact O-N 2.97Å; C114-W116 VanDerWaalsContact SG-CB 3.56Å; W116-V121 HydrophobicContact CH2-CG2 4.44Å; W116-V121 HydrophobicContact CZ2-CG1 4.01Å; W116-V121 HydrophobicContact CZ2-CG2 3.8Å; W116-P271 HydrophobicContact CH2-CB 3.89Å; W116-P271 HydrophobicContact CH2-CG 3.79Å; W116-P271 HydrophobicContact CZ3-CB 4.34Å
117T95.7Very high93.6Very high28 Ų2855.4 Ų55.417%0.17230%0.304CS..BIsolated β-bridgetrans-125.6154.1176.383.30000111.9Y108 L109 R115 R119 D120Y108-T117 HydrophobicContact CE2-CG2 4.3Å; L109-T117 CarbonylContact O-C 3.57Å; L109-T117 WeakPolarHBondContact O-CA 3.42Å; R115-T117 WeakPolarHBondContact O-CG2 3.13Å; R115-T117 PolarHBondContact O-N 2.76Å; T117-R119 PolarHBondContact O-N 2.97Å; T117-R119 VanDerWaalsContact O-N 3.13Å; T117-R119 PolarHBondContact OG1-N 2.67Å; T117-D120 PolarHBondContact N-OD2 3.13Å; T117-D120 WeakPolarHBondContact O-CB 3.43Å; T117-D120 PolarHBondContact O-N 2.81Å; T117-D120 VanDerWaalsContact O-N 3.09Å; T117-D120 PolarHBondContact OG1-N 2.94Å; T117-D120 PolarHBondContact OG1-OD1 3.47Å
118S94.9Very high93.3Very high0 Ų057.2 Ų57.20%032%0.319CS..THydrogen-bonded Turntrans-62-19.4173.2600000113.2L109 V121 M123L109-S118 PolarHBondContact N-OG 3.06Å; L109-S118 PolarHBondContact O-N 3.49Å; S118-V121 VanDerWaalsContact O-CG2 3.29Å; S118-V121 WeakPolarHBondContact O-CG2 3.17Å; S118-M123 WeakPolarHBondContact O-CB 3.45Å; S118-M123 PolarHBondContact O-N 2.72Å
119R93.3Very high92.7Very high108 Ų10857 Ų5741%0.40833%0.326SS..THydrogen-bonded Turntrans-74.3-27.9177.3-60.1179.8177.1172.31.5111.9T88 T117 V121 G122 D125T88-R119 PolarHBondContact OG1-NH2 2.81Å; T117-R119 PolarHBondContact O-N 2.97Å; T117-R119 VanDerWaalsContact O-N 3.13Å; T117-R119 PolarHBondContact OG1-N 2.67Å; R119-V121 PolarHBondContact O-N 2.99Å; R119-G122 PolarHBondContact O-N 3.1Å; R119-D125 IonicContact CZ-OD1 3.79Å; R119-D125 IonicContact CZ-OD2 3.24Å; R119-D125 IonicContact NE-OD1 3.07Å; R119-D125 PolarHBondContact NE-OD1 3.27Å; R119-D125 IonicContact NE-OD2 3.3Å; R119-D125 PolarHBondContact NE-OD2 2.97Å; R119-D125 IonicContact NH2-OD1 2.64Å; R119-D125 IonicContact NH2-OD2 3.86Å; R119-D125 PolarHBondContact NH2-OD2 2.87Å
120D93.1Very high91.9Very high99 Ų9959.3 Ų59.353%0.52934%0.342SS..THydrogen-bonded Turntrans-61.7-30.7178.8-53.8-9.1000111.5T117T117-D120 PolarHBondContact N-OD2 3.13Å; T117-D120 WeakPolarHBondContact O-CB 3.43Å; T117-D120 PolarHBondContact O-N 2.81Å; T117-D120 VanDerWaalsContact O-N 3.09Å; T117-D120 PolarHBondContact OG1-N 2.94Å; T117-D120 PolarHBondContact OG1-OD1 3.47Å
121V92.7Very high91Very high13 Ų1362.2 Ų62.28%0.07937%0.372CS..THydrogen-bonded Turntrans-101.310.4178.2-58.70000112.8W116 S118 R119 M123 A266W116-V121 HydrophobicContact CH2-CG2 4.44Å; W116-V121 HydrophobicContact CZ2-CG1 4.01Å; W116-V121 HydrophobicContact CZ2-CG2 3.8Å; S118-V121 VanDerWaalsContact O-CG2 3.29Å; S118-V121 WeakPolarHBondContact O-CG2 3.17Å; R119-V121 PolarHBondContact O-N 2.99Å; V121-M123 VanDerWaalsContact C-N 3.34Å; V121-M123 HydrophobicContact CG2-CG 3.88Å; V121-M123 HydrophobicContact CG2-SD 3.95Å; V121-M123 PolarHBondContact O-N 3.13Å; V121-A266 VanDerWaalsContact CG1-O 3.27Å; V121-A266 WeakPolarHBondContact CG1-O 3.37Å
122G91.3Very high90Very high66 Ų6663.4 Ų63.468%0.6839%0.385SS*.THydrogen-bonded Turntrans72.318.2176.200000115.4R119 A124R119-G122 PolarHBondContact O-N 3.1Å; G122-A124 PolarHBondContact O-N 2.8Å
123M92.1Very high89.6Confident31 Ų3162.4 Ų62.415%0.15337%0.371CS..PPolyproline II helixtrans-73.1121.5173.8-68.517175.500110.3S118 V121 W133 Y270 P271S118-M123 WeakPolarHBondContact O-CB 3.45Å; S118-M123 PolarHBondContact O-N 2.72Å; V121-M123 VanDerWaalsContact C-N 3.34Å; V121-M123 HydrophobicContact CG2-CG 3.88Å; V121-M123 HydrophobicContact CG2-SD 3.95Å; V121-M123 PolarHBondContact O-N 3.13Å; M123-W133 HydrophobicContact CE-CE3 3.84Å; M123-W133 HydrophobicContact CE-CZ3 4.08Å; M123-Y270 HydrophobicContact CG-CD1 3.89Å; M123-Y270 HydrophobicContact CG-CE1 4Å; M123-Y270 HydrophobicContact SD-CD1 3.92Å; M123-P271 HydrophobicContact CE-CG 4.07Å; M123-P271 WeakPolarHBondContact SD-CD 3.36Å; M123-P271 HydrophobicContact SD-CG 3.77Å
124A90.8Very high88.9Confident67 Ų6762.8 Ų62.855%0.55437%0.374SS*.PPolyproline II helixtrans-62.4138177.500000112.2G122 K126G122-A124 PolarHBondContact O-N 2.8Å; A124-K126 PolarHBondContact O-NZ 2.86Å
125D91.9Very high88.4Confident42 Ų4263.2 Ų63.223%0.22537%0.371CS..PPolyproline II helixtrans-58.3149.9173.8-70.916.8000111.4A106 Y107 R119A106-D125 HydrophobicContact CB-CB 3.97Å; Y107-D125 VanDerWaalsContact O-CA 3.28Å; Y107-D125 WeakPolarHBondContact O-CA 3.33Å; Y107-D125 WeakPolarHBondContact O-CB 3.42Å; R119-D125 IonicContact CZ-OD1 3.79Å; R119-D125 IonicContact CZ-OD2 3.24Å; R119-D125 IonicContact NE-OD1 3.07Å; R119-D125 PolarHBondContact NE-OD1 3.27Å; R119-D125 IonicContact NE-OD2 3.3Å; R119-D125 PolarHBondContact NE-OD2 2.97Å; R119-D125 IonicContact NH2-OD1 2.64Å; R119-D125 IonicContact NH2-OD2 3.86Å; R119-D125 PolarHBondContact NH2-OD2 2.87Å
126K90.6Very high87.9Confident63 Ų6358 Ų5827%0.27436%0.359SS..BIsolated β-bridgetrans-108.6148.5-179.1-60.6-66.9177-88.10110.9Y107 A124 V128 G132 W133Y107-K126 WeakPolarHBondContact CD2-O 3.41Å; Y107-K126 PolarHBondContact N-O 3.29Å; Y107-K126 PolarHBondContact O-N 3.26Å; A124-K126 PolarHBondContact O-NZ 2.86Å; K126-V128 VanDerWaalsContact C-N 3.34Å; K126-G132 WeakPolarHBondContact CD-O 3.49Å; K126-G132 WeakPolarHBondContact CE-O 3.26Å; K126-W133 HydrophobicContact CB-CH2 4.41Å; K126-W133 HydrophobicContact CB-CZ2 4.08Å; K126-W133 HydrophobicContact CG-CD2 3.93Å; K126-W133 HydrophobicContact CG-CE3 3.93Å; K126-W133 HydrophobicContact CG-CH2 3.86Å; K126-W133 HydrophobicContact CG-CZ2 3.87Å; K126-W133 HydrophobicContact CG-CZ3 3.9Å
127S86.3Confident87.4Confident100 Ų10064.7 Ų64.770%0.69939%0.392SS*.SBendtrans-77.2-21.8176.854.60000113.2Y107Y107-S127 WeakPolarHBondContact CE2-O 3.22Å
128V87.4Confident87Confident86 Ų8665.9 Ų65.952%0.52140%0.397SS..SBendtrans-112.1139.2177.8-171.20000109.2K126 S130K126-V128 VanDerWaalsContact C-N 3.34Å; V128-S130 VanDerWaalsContact CG1-O 3.26Å; V128-S130 WeakPolarHBondContact CG1-O 3.23Å; V128-S130 PolarHBondContact O-N 3.44Å
129A81.6Confident86.8Confident34 Ų3470.6 Ų70.628%0.28143%0.428SS..SBendtrans-65-38.1-17600000113.4Y107 W133Y107-A129 HydrophobicContact CD1-CB 3.92Å; Y107-A129 HydrophobicContact CD2-CB 4.27Å; Y107-A129 HydrophobicContact CE1-CB 3.76Å; Y107-A129 HydrophobicContact CE2-CB 4.13Å; Y107-A129 HydrophobicContact CG-CB 4.17Å; A129-W133 PolarHBondContact O-NE1 3.19Å
130S79.2Confident86.8Confident52 Ų5271.7 Ų71.736%0.36444%0.437SS..SBendtrans-130.4151.9178.6-165.20000111.3N72 V128 G132N72-S130 PolarHBondContact OD1-OG 3.16Å; V128-S130 VanDerWaalsContact CG1-O 3.26Å; V128-S130 WeakPolarHBondContact CG1-O 3.23Å; V128-S130 PolarHBondContact O-N 3.44Å; S130-G132 PolarHBondContact O-N 3.12Å
131G75.8Confident86.8Confident66 Ų6669.5 Ų69.568%0.6843%0.428SS*.SBendtrans90.8-18.517600000116.3
132G77.4Confident86.7Confident28 Ų2876.2 Ų76.229%0.28946%0.458SS..  trans-88.3-6.5175.500000114.8K126 S130K126-G132 WeakPolarHBondContact CD-O 3.49Å; K126-G132 WeakPolarHBondContact CE-O 3.26Å; S130-G132 PolarHBondContact O-N 3.12Å
133W86.6Confident86.7Confident14 Ų1479.2 Ų79.25%0.05345%0.449CS..  trans-88.7116.7179.7-59.5108.3000109.2F74 Y107 L109 M123 K126 A129F74-W133 HydrophobicContact CE1-CB 4.33Å; F74-W133 HydrophobicContact CE2-CB 3.99Å; F74-W133 HydrophobicContact CE2-CG 4.28Å; F74-W133 HydrophobicContact CZ-CB 3.5Å; F74-W133 HydrophobicContact CZ-CG 4.26Å; Y107-W133 VanDerWaalsContact O-CH2 3.3Å; Y107-W133 WeakPolarHBondContact O-CH2 3.43Å; Y107-W133 VanDerWaalsContact O-CZ2 3.23Å; Y107-W133 WeakPolarHBondContact O-CZ2 3.44Å; L109-W133 HydrophobicContact CD1-CD2 4.17Å; L109-W133 HydrophobicContact CD1-CE3 4.22Å; L109-W133 HydrophobicContact CG-CD2 4.4Å; L109-W133 HydrophobicContact CG-CH2 4.46Å; L109-W133 HydrophobicContact CG-CZ2 4.21Å; M123-W133 HydrophobicContact CE-CE3 3.84Å; M123-W133 HydrophobicContact CE-CZ3 4.08Å; K126-W133 HydrophobicContact CB-CH2 4.41Å; K126-W133 HydrophobicContact CB-CZ2 4.08Å; K126-W133 HydrophobicContact CG-CD2 3.93Å; K126-W133 HydrophobicContact CG-CE3 3.93Å; K126-W133 HydrophobicContact CG-CH2 3.86Å; K126-W133 HydrophobicContact CG-CZ2 3.87Å; K126-W133 HydrophobicContact CG-CZ3 3.9Å; A129-W133 PolarHBondContact O-NE1 3.19Å
134Q81.4Confident86.9Confident164 Ų16482.9 Ų82.977%0.76647%0.467SS*.  trans-122140.5179.6-66.1-179.8-16.800109.4
135E84.1Confident87Confident65 Ų6583.8 Ų83.830%0.30446%0.462SS..PPolyproline II helixtrans-79144.2170.7-66.8-175.417500109.6E137 R272 H273E135-E137 PolarHBondContact O-N 3.27Å; E135-R272 VanDerWaalsContact OE1-CA 3.24Å; E135-R272 WeakPolarHBondContact OE1-CA 3.13Å; E135-H273 VanDerWaalsContact CD-CD2 3.45Å; E135-H273 IonicContact OE1-CD2 3.22Å; E135-H273 PolarHBondContact OE1-CD2 3.18Å; E135-H273 IonicContact OE1-CG 2.72Å; E135-H273 PolarHBondContact OE1-N 3.05Å
136P84.5Confident87.1Confident62 Ų6288 Ų8840%0.40348%0.479SS..PPolyproline II helixtrans-56.4133.3169.5-23.533.6000111.1Y270P136-Y270 HydrophobicContact CG-CD2 3.91Å; P136-Y270 HydrophobicContact CG-CE2 4.06Å; P136-Y270 HydrophobicContact CG-CG 4.13Å
137E84.4Confident87.2Confident171 Ų17187.4 Ų87.480%0.79948%0.478SS*.PPolyproline II helixtrans-68.4150.6173.9-65.7-170.2169.700110.9E135 P139E135-E137 PolarHBondContact O-N 3.27Å; E137-P139 WeakPolarHBondContact O-CD 3.39Å
138N87.6Confident87.7Confident52 Ų5287 Ų8728%0.27847%0.467SS..PPolyproline II helixtrans-65.9124.8176.8-178.6-35.3000109.2H140 T141N138-H140 PolarHBondContact O-N 3.33Å; N138-H140 PolarHBondContact OD1-N 3.2Å; N138-T141 WeakPolarHBondContact CB-OG1 3.5Å; N138-T141 WeakPolarHBondContact O-CB 3.22Å; N138-T141 PolarHBondContact O-N 3.44Å; N138-T141 PolarHBondContact O-OG1 3.16Å
139P90.8Very high88Confident100 Ų10088 Ų8865%0.64947%0.467SS*.THydrogen-bonded Turntrans-54.5-28.3-177.9-27.635000114.3E137E137-P139 WeakPolarHBondContact O-CD 3.39Å
140H93.1Very high88.6Confident130 Ų13089.8 Ų89.860%0.60247%0.467SS*.THydrogen-bonded Turntrans-97.18.6-175.6-56.1-53.9000114N138 Q142 R143 M144N138-H140 PolarHBondContact O-N 3.33Å; N138-H140 PolarHBondContact OD1-N 3.2Å; H140-Q142 PolarHBondContact O-N 3.13Å; H140-R143 PolarHBondContact O-N 2.75Å; H140-M144 PolarHBondContact O-N 2.76Å
141T92.3Very high89.3Confident54 Ų5493.9 Ų93.933%0.33148%0.475SS..Hα-helixtrans-57.1-45.5-177.3-57.80000112.5N138 R143 M144 N145N138-T141 WeakPolarHBondContact CB-OG1 3.5Å; N138-T141 WeakPolarHBondContact O-CB 3.22Å; N138-T141 PolarHBondContact O-N 3.44Å; N138-T141 PolarHBondContact O-OG1 3.16Å; T141-R143 VanDerWaalsContact C-N 3.34Å; T141-R143 PolarHBondContact O-N 3.34Å; T141-M144 WeakPolarHBondContact O-CB 3.46Å; T141-M144 PolarHBondContact O-N 3.31Å; T141-N145 PolarHBondContact O-N 3.25Å; T141-N145 VanDerWaalsContact O-N 3.11Å
142Q91.9Very high90.2Very high154 Ų15497.2 Ų97.272%0.7247%0.473SS*.Hα-helixtrans-63.6-40.6-179.5-64.9-176.7-1.600112.2H140 N145 K146H140-Q142 PolarHBondContact O-N 3.13Å; Q142-N145 PolarHBondContact O-N 2.96Å; Q142-K146 WeakPolarHBondContact O-CG 3.38Å; Q142-K146 PolarHBondContact O-N 3.04Å
143R91.8Very high90.9Very high128 Ų12897.2 Ų97.248%0.48347%0.465SS..Hα-helixtrans-65.8-40.5177.3-176177.1179.5146.47.1111.3H140 T141 K146 L147H140-R143 PolarHBondContact O-N 2.75Å; T141-R143 VanDerWaalsContact C-N 3.34Å; T141-R143 PolarHBondContact O-N 3.34Å; R143-K146 PolarHBondContact O-N 3.14Å; R143-L147 HydrophobicContact CG-CD1 4.07Å; R143-L147 WeakPolarHBondContact O-CG 3.41Å; R143-L147 PolarHBondContact O-N 3.01Å
144M94.6Very high91.2Very high109 Ų109100.3 Ų100.354%0.53748%0.483SS..Hα-helixtrans-59-47.1176.5-174.462.571.700111.4H140 T141 K146 L147 I148H140-M144 PolarHBondContact O-N 2.76Å; T141-M144 WeakPolarHBondContact O-CB 3.46Å; T141-M144 PolarHBondContact O-N 3.31Å; M144-K146 PolarHBondContact O-N 3.29Å; M144-L147 PolarHBondContact O-N 3.5Å; M144-I148 HydrophobicContact CG-CD1 3.89Å; M144-I148 HydrophobicContact CG-CG1 4.49Å; M144-I148 VanDerWaalsContact O-CG1 3.31Å; M144-I148 WeakPolarHBondContact O-CG1 3.29Å; M144-I148 PolarHBondContact O-N 3.16Å; M144-I148 HydrophobicContact SD-CD1 4.37Å; M144-I148 HydrophobicContact SD-CG1 4.5Å
145N93.9Very high91.8Very high85 Ų8595 Ų9546%0.45547%0.467SS..Hα-helixtrans-60.5-44.2178.9-67.9-17.8000111.9T141 Q142 L147 I148 E149T141-N145 PolarHBondContact O-N 3.25Å; T141-N145 VanDerWaalsContact O-N 3.11Å; Q142-N145 PolarHBondContact O-N 2.96Å; N145-L147 VanDerWaalsContact C-N 3.35Å; N145-L147 PolarHBondContact O-N 2.9Å; N145-I148 PolarHBondContact O-N 3.32Å; N145-E149 WeakPolarHBondContact O-CG 3.13Å; N145-E149 PolarHBondContact O-N 3.38Å
146K92.9Very high92.2Very high130 Ų13096.8 Ų96.857%0.56548%0.475SS*.Hα-helixtrans-60.8-41.6176-69.5-178.4179.6-177.60112.7Q142 R143 M144 Y150 I223Q142-K146 WeakPolarHBondContact O-CG 3.38Å; Q142-K146 PolarHBondContact O-N 3.04Å; R143-K146 PolarHBondContact O-N 3.14Å; M144-K146 PolarHBondContact O-N 3.29Å; K146-Y150 WeakPolarHBondContact O-CB 3.11Å; K146-Y150 PolarHBondContact O-N 2.87Å; K146-Y150 VanDerWaalsContact O-N 3.09Å; K146-I223 HydrophobicContact CB-CD1 4.03Å
147L94.6Very high92.4Very high51 Ų5198.1 Ų98.127%0.26747%0.474SS..Hα-helixtrans-65-42.6176.7-74.8164000111.5R143 M144 N145 Y150 Y151 I223R143-L147 HydrophobicContact CG-CD1 4.07Å; R143-L147 WeakPolarHBondContact O-CG 3.41Å; R143-L147 PolarHBondContact O-N 3.01Å; M144-L147 PolarHBondContact O-N 3.5Å; N145-L147 VanDerWaalsContact C-N 3.35Å; N145-L147 PolarHBondContact O-N 2.9Å; L147-Y150 PolarHBondContact O-N 2.83Å; L147-Y151 HydrophobicContact CD2-CE2 4.18Å; L147-Y151 WeakPolarHBondContact O-CD2 3.36Å; L147-Y151 PolarHBondContact O-N 2.9Å; L147-I223 HydrophobicContact CB-CD1 4.49Å; L147-I223 HydrophobicContact CD2-CD1 3.56Å; L147-I223 HydrophobicContact CG-CD1 3.79Å
148I95.3Very high92.9Very high91 Ų9195 Ų9547%0.46746%0.46SS..Hα-helixtrans-60-48.7177.4-70.4167.8000110.4M144 N145 Y150 Y151 Q152M144-I148 HydrophobicContact CG-CD1 3.89Å; M144-I148 HydrophobicContact CG-CG1 4.49Å; M144-I148 VanDerWaalsContact O-CG1 3.31Å; M144-I148 WeakPolarHBondContact O-CG1 3.29Å; M144-I148 PolarHBondContact O-N 3.16Å; M144-I148 HydrophobicContact SD-CD1 4.37Å; M144-I148 HydrophobicContact SD-CG1 4.5Å; N145-I148 PolarHBondContact O-N 3.32Å; I148-Y150 PolarHBondContact O-N 3.18Å; I148-Y151 PolarHBondContact O-N 3.23Å; I148-Q152 WeakPolarHBondContact O-CB 3.45Å; I148-Q152 PolarHBondContact O-N 3.13Å
149E93.8Very high93.2Very high109 Ų10997.7 Ų97.751%0.50947%0.469SS..Hα-helixtrans-60.1-44.9179.1-72.5176.6-176.900112.1N145 Q152 Q153 I221N145-E149 WeakPolarHBondContact O-CG 3.13Å; N145-E149 PolarHBondContact O-N 3.38Å; E149-Q152 PolarHBondContact O-N 3.33Å; E149-Q153 PolarHBondContact O-N 2.98Å; E149-Q153 VanDerWaalsContact O-N 3.07Å; E149-I221 HydrophobicContact CB-CD1 4.28Å
150Y93.6Very high93.2Very high71 Ų7196.2 Ų96.228%0.27846%0.458SS..Hα-helixtrans-58.4-53.4176.2172.7-104.6000112.3K146 L147 I148 Q152 Q153 L154 I221 I223K146-Y150 WeakPolarHBondContact O-CB 3.11Å; K146-Y150 PolarHBondContact O-N 2.87Å; K146-Y150 VanDerWaalsContact O-N 3.09Å; L147-Y150 PolarHBondContact O-N 2.83Å; I148-Y150 PolarHBondContact O-N 3.18Å; Y150-Q152 VanDerWaalsContact C-N 3.3Å; Y150-Q152 PolarHBondContact O-N 3.25Å; Y150-Q153 PolarHBondContact O-N 2.77Å; Y150-L154 PolarHBondContact O-N 3.5Å; Y150-I221 WeakPolarHBondContact CD2-O 3.39Å; Y150-I221 WeakPolarHBondContact CE2-O 3.43Å; Y150-I223 HydrophobicContact CD1-CG2 3.65Å; Y150-I223 HydrophobicContact CD2-CB 4.39Å; Y150-I223 HydrophobicContact CD2-CG2 3.72Å; Y150-I223 HydrophobicContact CE1-CG2 3.96Å; Y150-I223 HydrophobicContact CE2-CG2 4.02Å; Y150-I223 HydrophobicContact CG-CB 4.3Å; Y150-I223 HydrophobicContact CG-CG2 3.52Å
151Y94.9Very high93Very high138 Ų13892.8 Ų92.854%0.54144%0.442SS..Hα-helixtrans-69.6-28.2-178.7-77.6-64.7000112.6L147 I148 L154 A155L147-Y151 HydrophobicContact CD2-CE2 4.18Å; L147-Y151 WeakPolarHBondContact O-CD2 3.36Å; L147-Y151 PolarHBondContact O-N 2.9Å; I148-Y151 PolarHBondContact O-N 3.23Å; Y151-L154 HydrophobicContact CD1-CD2 4.19Å; Y151-L154 HydrophobicContact CE1-CD2 4.42Å; Y151-L154 PolarHBondContact O-N 3.22Å; Y151-A155 WeakPolarHBondContact O-CB 3.27Å; Y151-A155 PolarHBondContact O-N 3.33Å
152Q94.3Very high93Very high135 Ų13596.2 Ų96.263%0.63145%0.449SS*.Hα-helixtrans-66-41.9173.7-171.5172.913.700111.3I148 E149 Y150 Q156I148-Q152 WeakPolarHBondContact O-CB 3.45Å; I148-Q152 PolarHBondContact O-N 3.13Å; E149-Q152 PolarHBondContact O-N 3.33Å; Y150-Q152 VanDerWaalsContact C-N 3.3Å; Y150-Q152 PolarHBondContact O-N 3.25Å; Q152-Q156 WeakPolarHBondContact O-CB 3.43Å; Q152-Q156 PolarHBondContact O-N 2.78Å
153Q92.4Very high92.8Very high28 Ų2892.8 Ų92.813%0.13144%0.436CS..Hα-helixtrans-64.1-44.3173.5-171.5-178.121.200111.4E149 Y150 Q156 K157 K219E149-Q153 PolarHBondContact O-N 2.98Å; E149-Q153 VanDerWaalsContact O-N 3.07Å; Y150-Q153 PolarHBondContact O-N 2.77Å; Q153-Q156 WeakPolarHBondContact O-CB 3.47Å; Q153-Q156 PolarHBondContact O-N 2.92Å; Q153-K157 PolarHBondContact O-N 3.3Å; Q153-K219 PolarHBondContact NE2-O 3.36Å
154L92.1Very high92.4Very high80 Ų8094.2 Ų94.242%0.41944%0.441SS..Hα-helixtrans-62.7-45.5178.5-174.963.2000111.9Y150 Y151 Q156 K157 E158Y150-L154 PolarHBondContact O-N 3.5Å; Y151-L154 HydrophobicContact CD1-CD2 4.19Å; Y151-L154 HydrophobicContact CE1-CD2 4.42Å; Y151-L154 PolarHBondContact O-N 3.22Å; L154-Q156 VanDerWaalsContact C-N 3.27Å; L154-Q156 PolarHBondContact O-N 3.16Å; L154-K157 PolarHBondContact O-N 2.65Å; L154-E158 PolarHBondContact O-N 3.48Å
155A94.5Very high92Very high52 Ų5294 Ų9443%0.4344%0.437SS..Hα-helixtrans-62.4-34.8176.100000112Y151 E158 K159Y151-A155 WeakPolarHBondContact O-CB 3.27Å; Y151-A155 PolarHBondContact O-N 3.33Å; A155-E158 PolarHBondContact O-N 2.69Å; A155-K159 VanDerWaalsContact O-CB 3.29Å; A155-K159 WeakPolarHBondContact O-CB 3.23Å; A155-K159 PolarHBondContact O-N 2.7Å
156Q92.3Very high91.6Very high102 Ų10295.3 Ų95.348%0.47744%0.439SS..Hα-helixtrans-67.3-43.2175.1-173.467.4-0.600111.6Q152 Q153 L154 E158 K159 V160Q152-Q156 WeakPolarHBondContact O-CB 3.43Å; Q152-Q156 PolarHBondContact O-N 2.78Å; Q153-Q156 WeakPolarHBondContact O-CB 3.47Å; Q153-Q156 PolarHBondContact O-N 2.92Å; L154-Q156 VanDerWaalsContact C-N 3.27Å; L154-Q156 PolarHBondContact O-N 3.16Å; Q156-E158 VanDerWaalsContact C-N 3.35Å; Q156-K159 PolarHBondContact O-N 3.12Å; Q156-V160 WeakPolarHBondContact O-CG2 3.48Å; Q156-V160 PolarHBondContact O-N 3.17Å
157K90.3Very high91Very high90 Ų9092.6 Ų92.639%0.39143%0.43SS..Hα-helixtrans-59.2-46.4172.8-72.4-176.5176.6-177.40110.7Q153 L154 K159 V160 E161 E220Q153-K157 PolarHBondContact O-N 3.3Å; L154-K157 PolarHBondContact O-N 2.65Å; K157-K159 PolarHBondContact O-N 3.18Å; K157-V160 PolarHBondContact O-N 2.79Å; K157-E161 WeakPolarHBondContact O-CB 3.36Å; K157-E161 PolarHBondContact O-N 3.4Å; K157-E220 IonicContact NZ-OE1 2.85Å; K157-E220 PolarHBondContact NZ-OE1 2.88Å
158E94.1Very high90.2Very high106 Ų10692.7 Ų92.750%0.49544%0.438SS..Hα-helixtrans-62.6-41178.1-161.5-159.4173.100112.1L154 A155 Q156 E161 R162L154-E158 PolarHBondContact O-N 3.48Å; A155-E158 PolarHBondContact O-N 2.69Å; Q156-E158 VanDerWaalsContact C-N 3.35Å; E158-E161 PolarHBondContact O-N 3.44Å; E158-R162 VanDerWaalsContact O-CB 3.25Å; E158-R162 WeakPolarHBondContact O-CB 3.47Å; E158-R162 PolarHBondContact O-N 3.44Å; E158-R162 IonicContact OE1-CZ 2.71Å; E158-R162 IonicContact OE1-NH2 2.76Å; E158-R162 PolarHBondContact OE1-NH2 2.82Å; E158-R162 IonicContact OE2-NH2 3.17Å; E158-R162 PolarHBondContact OE2-NH2 3.02Å
159K94.3Very high89.3Confident108 Ų10897.6 Ų97.647%0.4745%0.451SS..Hα-helixtrans-61.7-48.3177.4-178.2-177.9175-176.10111.8A155 Q156 K157 E161 R162 D163A155-K159 VanDerWaalsContact O-CB 3.29Å; A155-K159 WeakPolarHBondContact O-CB 3.23Å; A155-K159 PolarHBondContact O-N 2.7Å; Q156-K159 PolarHBondContact O-N 3.12Å; K157-K159 PolarHBondContact O-N 3.18Å; K159-E161 VanDerWaalsContact C-N 3.31Å; K159-E161 PolarHBondContact O-N 2.99Å; K159-R162 PolarHBondContact O-N 3.31Å; K159-D163 WeakPolarHBondContact O-CB 3.37Å; K159-D163 PolarHBondContact O-N 3.28Å
160V90.9Very high88.1Confident70 Ų70100.2 Ų100.242%0.42446%0.456SS..Hα-helixtrans-61.3-42.8177.9172.30000110.8Q156 K157 D163 R164Q156-V160 WeakPolarHBondContact O-CG2 3.48Å; Q156-V160 PolarHBondContact O-N 3.17Å; K157-V160 PolarHBondContact O-N 2.79Å; V160-D163 PolarHBondContact O-N 3.46Å; V160-R164 VanDerWaalsContact O-CB 3.29Å; V160-R164 WeakPolarHBondContact O-CB 3.33Å; V160-R164 PolarHBondContact O-N 3.17Å
161E88.2Confident86.6Confident57 Ų57101.4 Ų101.427%0.26646%0.46SS..Hα-helixtrans-63.1-45.6177.5-156.4-68.4135.300111.6K157 E158 K159 R164 K165K157-E161 WeakPolarHBondContact O-CB 3.36Å; K157-E161 PolarHBondContact O-N 3.4Å; E158-E161 PolarHBondContact O-N 3.44Å; K159-E161 VanDerWaalsContact C-N 3.31Å; K159-E161 PolarHBondContact O-N 2.99Å; E161-R164 WeakPolarHBondContact O-CB 3.02Å; E161-R164 PolarHBondContact O-N 2.81Å; E161-R164 IonicContact OE1-NH2 2.7Å; E161-R164 PolarHBondContact OE1-NH2 2.94Å; E161-K165 VanDerWaalsContact CD-CE 3.46Å; E161-K165 PolarHBondContact O-N 3.07Å; E161-K165 VanDerWaalsContact OE1-CD 3.28Å; E161-K165 WeakPolarHBondContact OE1-CD 3.35Å; E161-K165 WeakPolarHBondContact OE1-CE 3.47Å; E161-K165 WeakPolarHBondContact OE1-CG 3.48Å; E161-K165 IonicContact OE1-NZ 2.69Å; E161-K165 PolarHBondContact OE1-NZ 3.16Å; E161-K165 VanDerWaalsContact OE2-CD 3.27Å; E161-K165 WeakPolarHBondContact OE2-CD 3.32Å; E161-K165 VanDerWaalsContact OE2-CE 3.27Å; E161-K165 WeakPolarHBondContact OE2-CE 3.12Å; E161-K165 IonicContact OE2-NZ 2.65Å; E161-K165 PolarHBondContact OE2-NZ 3.09Å
162R92.1Very high84.9Confident127 Ų127101.7 Ų101.748%0.47947%0.471SS..Hα-helixtrans-62.6-43.7177.3-170.1-175.7-63.5132.3-5.6111.7E158 K159 K165 K166E158-R162 VanDerWaalsContact O-CB 3.25Å; E158-R162 WeakPolarHBondContact O-CB 3.47Å; E158-R162 PolarHBondContact O-N 3.44Å; E158-R162 IonicContact OE1-CZ 2.71Å; E158-R162 IonicContact OE1-NH2 2.76Å; E158-R162 PolarHBondContact OE1-NH2 2.82Å; E158-R162 IonicContact OE2-NH2 3.17Å; E158-R162 PolarHBondContact OE2-NH2 3.02Å; K159-R162 PolarHBondContact O-N 3.31Å; R162-K165 PolarHBondContact O-N 3.06Å; R162-K166 VanDerWaalsContact O-CB 3.31Å; R162-K166 WeakPolarHBondContact O-CB 3.21Å; R162-K166 PolarHBondContact O-N 2.93Å
163D87.6Confident83Confident82 Ų82105.6 Ų105.644%0.43948%0.481SS..Hα-helixtrans-66.7-40.2177.6-74.9-21.3000111.3K159 V160 K166 L167K159-D163 WeakPolarHBondContact O-CB 3.37Å; K159-D163 PolarHBondContact O-N 3.28Å; V160-D163 PolarHBondContact O-N 3.46Å; D163-K166 PolarHBondContact O-N 3.03Å; D163-L167 WeakPolarHBondContact O-CB 3.48Å; D163-L167 PolarHBondContact O-N 3.11Å
164R84.9Confident81.3Confident157 Ų157110.7 Ų110.759%0.59251%0.507SS*.Hα-helixtrans-60.1-47.9172.4-174.6-172.769159.8-0.4111.5V160 E161 L167 A168V160-R164 VanDerWaalsContact O-CB 3.29Å; V160-R164 WeakPolarHBondContact O-CB 3.33Å; V160-R164 PolarHBondContact O-N 3.17Å; E161-R164 WeakPolarHBondContact O-CB 3.02Å; E161-R164 PolarHBondContact O-N 2.81Å; E161-R164 IonicContact OE1-NH2 2.7Å; E161-R164 PolarHBondContact OE1-NH2 2.94Å; R164-L167 PolarHBondContact O-N 2.82Å; R164-A168 WeakPolarHBondContact O-CB 3.25Å; R164-A168 PolarHBondContact O-N 2.67Å
165K85.3Confident79Confident105 Ų105111.8 Ų111.846%0.45752%0.519SS..Hα-helixtrans-61.8-41.7175.4-83.6179.3176.6145.50112E161 R162 L167 A168 R169E161-K165 VanDerWaalsContact CD-CE 3.46Å; E161-K165 PolarHBondContact O-N 3.07Å; E161-K165 VanDerWaalsContact OE1-CD 3.28Å; E161-K165 WeakPolarHBondContact OE1-CD 3.35Å; E161-K165 WeakPolarHBondContact OE1-CE 3.47Å; E161-K165 WeakPolarHBondContact OE1-CG 3.48Å; E161-K165 IonicContact OE1-NZ 2.69Å; E161-K165 PolarHBondContact OE1-NZ 3.16Å; E161-K165 VanDerWaalsContact OE2-CD 3.27Å; E161-K165 WeakPolarHBondContact OE2-CD 3.32Å; E161-K165 VanDerWaalsContact OE2-CE 3.27Å; E161-K165 WeakPolarHBondContact OE2-CE 3.12Å; E161-K165 IonicContact OE2-NZ 2.65Å; E161-K165 PolarHBondContact OE2-NZ 3.09Å; R162-K165 PolarHBondContact O-N 3.06Å; K165-L167 VanDerWaalsContact C-N 3.34Å; K165-A168 PolarHBondContact O-N 3.05Å; K165-R169 WeakPolarHBondContact O-CB 3.28Å; K165-R169 WeakPolarHBondContact O-CG 3.45Å; K165-R169 PolarHBondContact O-N 3.41Å
166K86.4Confident77Confident113 Ų113117.1 Ų117.149%0.49154%0.539SS..Hα-helixtrans-62.3-42.2177.1-171.7177.5-177178.80111.2R162 D163 R170R162-K166 VanDerWaalsContact O-CB 3.31Å; R162-K166 WeakPolarHBondContact O-CB 3.21Å; R162-K166 PolarHBondContact O-N 2.93Å; D163-K166 PolarHBondContact O-N 3.03Å; K166-R170 WeakPolarHBondContact O-CG 3.28Å; K166-R170 PolarHBondContact O-N 3.29Å; K166-R170 VanDerWaalsContact O-N 3.1Å
167L80.2Confident74.9Confident73 Ų73115.7 Ų115.738%0.38255%0.545SS..Hα-helixtrans-67.2-42.7175.3-171.468.4000111.9D163 R164 K165 R170 R171 L210D163-L167 WeakPolarHBondContact O-CB 3.48Å; D163-L167 PolarHBondContact O-N 3.11Å; R164-L167 PolarHBondContact O-N 2.82Å; K165-L167 VanDerWaalsContact C-N 3.34Å; L167-R170 PolarHBondContact O-N 3.21Å; L167-R171 PolarHBondContact O-N 3.18Å; L167-L210 HydrophobicContact CD2-CD1 4.46Å; L167-L210 HydrophobicContact CD2-CD2 4.41Å
168A77.2Confident73.1Confident52 Ų52116.8 Ų116.843%0.4355%0.55SS..Hα-helixtrans-62.3-42.8176.700000112.3R164 K165 R170 R171 N172R164-A168 WeakPolarHBondContact O-CB 3.25Å; R164-A168 PolarHBondContact O-N 2.67Å; K165-A168 PolarHBondContact O-N 3.05Å; A168-R170 VanDerWaalsContact C-N 3.33Å; A168-R170 PolarHBondContact O-N 3.42Å; A168-R171 VanDerWaalsContact O-CB 3.29Å; A168-R171 WeakPolarHBondContact O-CB 3.32Å; A168-R171 PolarHBondContact O-N 3.26Å; A168-R171 VanDerWaalsContact O-N 3.11Å; A168-N172 PolarHBondContact O-N 3.14Å
169R75.9Confident71Confident194 Ų194113.9 Ų113.973%0.73254%0.541SS*.Hα-helixtrans-63.1-37.7174-72.6177.8-178.2-170.50.6112.4K165 R171K165-R169 WeakPolarHBondContact O-CB 3.28Å; K165-R169 WeakPolarHBondContact O-CG 3.45Å; K165-R169 PolarHBondContact O-N 3.41Å; R169-R171 VanDerWaalsContact C-N 3.3Å
170R69.8Low68.9Low165 Ų165115.4 Ų115.462%0.62355%0.55SS**Hα-helixtrans-68.3-28.7173.1-74177.3176-166.1-3.6112.6K166 L167 A168 N172 Y173K166-R170 WeakPolarHBondContact O-CG 3.28Å; K166-R170 PolarHBondContact O-N 3.29Å; K166-R170 VanDerWaalsContact O-N 3.1Å; L167-R170 PolarHBondContact O-N 3.21Å; A168-R170 VanDerWaalsContact C-N 3.33Å; A168-R170 PolarHBondContact O-N 3.42Å; R170-N172 VanDerWaalsContact C-N 3.31Å; R170-N172 PolarHBondContact O-N 3.16Å; R170-Y173 PolarHBondContact O-N 3Å
171R61.9Low66.7Low96 Ų96119.4 Ų119.436%0.36256%0.564SS.*Hα-helixtrans-66.7-25.2177.4-106.7176.4168.4163.1-5.4113.8L167 A168 R169 Y173 M174 F178L167-R171 PolarHBondContact O-N 3.18Å; A168-R171 VanDerWaalsContact O-CB 3.29Å; A168-R171 WeakPolarHBondContact O-CB 3.32Å; A168-R171 PolarHBondContact O-N 3.26Å; A168-R171 VanDerWaalsContact O-N 3.11Å; R169-R171 VanDerWaalsContact C-N 3.3Å; R171-Y173 PolarHBondContact O-N 2.92Å; R171-Y173 VanDerWaalsContact O-N 3.07Å; R171-M174 PolarHBondContact O-N 2.95Å; R171-F178 PolarHBondContact NH2-O 3.33Å
172N57.5Low64.8Low144 Ų144119.6 Ų119.677%0.7757%0.569SS**THydrogen-bonded Turntrans-62.9-12.4174.1-78.34.4000113.8A168 R170A168-N172 PolarHBondContact O-N 3.14Å; R170-N172 VanDerWaalsContact C-N 3.31Å; R170-N172 PolarHBondContact O-N 3.16Å
173Y55.3Low62.9Low217 Ų217117.2 Ų117.285%0.85157%0.565SS**THydrogen-bonded Turntrans-1108.6173.8-69.2-84.9000113.5R170 R171R170-Y173 PolarHBondContact O-N 3Å; R171-Y173 PolarHBondContact O-N 2.92Å; R171-Y173 VanDerWaalsContact O-N 3.07Å
174M56.1Low61Low134 Ų134119.5 Ų119.566%0.6657%0.573SS**SBendtrans-111.7136.1176.8-79.8-75.8-93.700110.1R171R171-M174 PolarHBondContact O-N 2.95Å
175P44.7Very low59.4Low104 Ų104115.4 Ų115.468%0.67557%0.565SS**  trans-58.5142.8-177.8-15.126.3000110.9A177P175-A177 PolarHBondContact O-N 2.87Å
176L51.5Low57.8Low164 Ų164113.7 Ų113.786%0.85956%0.563SS**G310 helixtrans-492.9-179.8-91.8132.9000117.4F178L176-F178 PolarHBondContact O-N 3.48Å
177A48.9Very low56.1Low72 Ų72114.9 Ų114.960%0.59558%0.575SS**G310 helixtrans-68.7-13.2-177.300000114.7P175 T182P175-A177 PolarHBondContact O-N 2.87Å; A177-T182 PolarHBondContact O-OG1 3.4Å
178F52.6Low54.7Low112 Ų112119.5 Ų119.549%0.49159%0.592SS.*G310 helixtrans-116.536.5-175.4-95-90000114R171 L176 I183 L207R171-F178 PolarHBondContact NH2-O 3.33Å; L176-F178 PolarHBondContact O-N 3.48Å; F178-I183 HydrophobicContact CD1-CD1 3.9Å; F178-I183 HydrophobicContact CE1-CD1 4.36Å; F178-L207 HydrophobicContact CE1-CD1 3.99Å
179S49.3Very low53.5Low45 Ų45124.7 Ų124.732%0.31560%0.601SS.*  trans-72.9147.8167.979.70000110.7H181 T182 I183S179-H181 PolarHBondContact O-N 2.83Å; S179-H181 VanDerWaalsContact O-N 3.14Å; S179-T182 PolarHBondContact N-OG1 3.46Å; S179-T182 PolarHBondContact O-N 3.16Å; S179-T182 PolarHBondContact O-OG1 3.01Å; S179-T182 PolarHBondContact OG-N 3.24Å; S179-T182 PolarHBondContact OG-OG1 3.13Å; S179-T182 VanDerWaalsContact OG-OG1 3.08Å; S179-I183 PolarHBondContact O-N 3.08Å
180Q51.7Low52.3Low141 Ų141118.3 Ų118.366%0.65960%0.596SS**Hα-helixtrans-57.7-28.7177.6-133.8166.7-1.200111.7H184Q180-H184 PolarHBondContact O-N 3.07Å; Q180-H184 VanDerWaalsContact O-N 3.09Å
181H44.2Very low51.5Low154 Ų154116.6 Ų116.671%0.71360%0.599SS**Hα-helixtrans-67.9-38.6175.6-115.6-65.5000113.3S179 V185S179-H181 PolarHBondContact O-N 2.83Å; S179-H181 VanDerWaalsContact O-N 3.14Å; H181-V185 WeakPolarHBondContact O-CB 3.43Å; H181-V185 WeakPolarHBondContact O-CG2 3.47Å; H181-V185 PolarHBondContact O-N 3.14Å
182T47.3Very low50.9Low60 Ų60114.2 Ų114.237%0.36860%0.604SS.*Hα-helixtrans-75.5-32.717841.60000112.2A177 S179 V186A177-T182 PolarHBondContact O-OG1 3.4Å; S179-T182 PolarHBondContact N-OG1 3.46Å; S179-T182 PolarHBondContact O-N 3.16Å; S179-T182 PolarHBondContact O-OG1 3.01Å; S179-T182 PolarHBondContact OG-N 3.24Å; S179-T182 PolarHBondContact OG-OG1 3.13Å; S179-T182 VanDerWaalsContact OG-OG1 3.08Å; T182-V186 VanDerWaalsContact O-CG2 3.23Å; T182-V186 WeakPolarHBondContact O-CG2 3.36Å; T182-V186 PolarHBondContact O-N 3.23Å
183I52.4Low50.3Low78 Ų78113.6 Ų113.640%0.461%0.605SS.*Hα-helixtrans-69.4-45.6176.1-61173.4000110.9F178 S179 V185 V186 D187F178-I183 HydrophobicContact CD1-CD1 3.9Å; F178-I183 HydrophobicContact CE1-CD1 4.36Å; S179-I183 PolarHBondContact O-N 3.08Å; I183-V185 VanDerWaalsContact C-N 3.31Å; I183-V185 PolarHBondContact O-N 3.01Å; I183-V186 PolarHBondContact O-N 3.37Å; I183-D187 PolarHBondContact O-N 3.06Å
184H48.1Very low49.8Very low130 Ų130114.8 Ų114.860%0.60261%0.608SS**Hα-helixtrans-63.6-33.6176.2-96.8-80.8000113.4Q180 K188Q180-H184 PolarHBondContact O-N 3.07Å; Q180-H184 VanDerWaalsContact O-N 3.09Å; H184-K188 WeakPolarHBondContact O-CB 3.4Å; H184-K188 PolarHBondContact O-N 3.49Å
185V51.1Low49.2Very low71 Ų71116.8 Ų116.843%0.4362%0.621SS.*Hα-helixtrans-73.2-37.6176.3175.20000110.8H181 I183 Y189H181-V185 WeakPolarHBondContact O-CB 3.43Å; H181-V185 WeakPolarHBondContact O-CG2 3.47Å; H181-V185 PolarHBondContact O-N 3.14Å; I183-V185 VanDerWaalsContact C-N 3.31Å; I183-V185 PolarHBondContact O-N 3.01Å; V185-Y189 HydrophobicContact CG1-CD2 3.82Å; V185-Y189 HydrophobicContact CG1-CE2 4.24Å; V185-Y189 WeakPolarHBondContact O-CB 3.14Å; V185-Y189 VanDerWaalsContact O-CD2 3.29Å; V185-Y189 WeakPolarHBondContact O-CD2 3.32Å; V185-Y189 PolarHBondContact O-N 3.42Å; V185-Y189 VanDerWaalsContact O-N 3.08Å
186V52.8Low49Very low68 Ų68120.3 Ų120.341%0.41263%0.628SS.*Hα-helixtrans-68.4-37.3176.4172.70000112T182 I183 G190 L191T182-V186 VanDerWaalsContact O-CG2 3.23Å; T182-V186 WeakPolarHBondContact O-CG2 3.36Å; T182-V186 PolarHBondContact O-N 3.23Å; I183-V186 PolarHBondContact O-N 3.37Å; V186-G190 PolarHBondContact O-N 3.42Å; V186-L191 PolarHBondContact O-N 3.44Å
187D49.7Very low48.4Very low138 Ų138123.8 Ų123.874%0.73863%0.63SS**Hα-helixtrans-74.7-39.5178.1-125.92.8000112.4I183I183-D187 PolarHBondContact O-N 3.06Å
188K49.9Very low48Very low171 Ų171126.3 Ų126.374%0.74364%0.64SS**Hα-helixtrans-76.1-23.9-179.3-163.3176.5-175.6-178.40113.5H184H184-K188 WeakPolarHBondContact O-CB 3.4Å; H184-K188 PolarHBondContact O-N 3.49Å
189Y52.6Low47.3Very low161 Ų161132.5 Ų132.563%0.63166%0.66SS**THydrogen-bonded Turntrans-112.19.7178.1-65.1-83.7000114V185 L191V185-Y189 HydrophobicContact CG1-CD2 3.82Å; V185-Y189 HydrophobicContact CG1-CE2 4.24Å; V185-Y189 WeakPolarHBondContact O-CB 3.14Å; V185-Y189 VanDerWaalsContact O-CD2 3.29Å; V185-Y189 WeakPolarHBondContact O-CD2 3.32Å; V185-Y189 PolarHBondContact O-N 3.42Å; V185-Y189 VanDerWaalsContact O-N 3.08Å; Y189-L191 VanDerWaalsContact C-N 3.3Å; Y189-L191 PolarHBondContact O-N 3.4Å
190G50.3Low46.8Very low60 Ų60135.4 Ų135.462%0.61969%0.687SS**THydrogen-bonded Turntrans62.426.3168.500000115.9V186 G192V186-G190 PolarHBondContact O-N 3.42Å; G190-G192 VanDerWaalsContact C-N 3.25Å; G190-G192 PolarHBondContact O-N 3.25Å
191L54Low46.4Very low129 Ų129132.9 Ų132.968%0.67570%0.698SS**  trans-86.618.5-176-90.5141000114V186 Y189 T193V186-L191 PolarHBondContact O-N 3.44Å; Y189-L191 VanDerWaalsContact C-N 3.3Å; Y189-L191 PolarHBondContact O-N 3.4Å; L191-T193 VanDerWaalsContact C-N 3.29Å; L191-T193 PolarHBondContact O-N 3.27Å
192G49.2Very low46.1Very low46 Ų46129.8 Ų129.847%0.47470%0.699SS.*THydrogen-bonded Turntrans-73.4-0.4-172.600000117.1G190G190-G192 VanDerWaalsContact C-N 3.25Å; G190-G192 PolarHBondContact O-N 3.25Å
193T45Very low45.6Very low131 Ų131130.8 Ų130.880%0.80471%0.709SS**THydrogen-bonded Turntrans-92.54.7-169.134.90000116.2L191L191-T193 VanDerWaalsContact C-N 3.29Å; L191-T193 PolarHBondContact O-N 3.27Å
194R45.3Very low45.3Very low242 Ų242134 Ų13491%0.91373%0.726SS**SBendtrans-1246.2-178-77.8-171.2175.4-177.4-0.1117.8
195L42Very low45.2Very low175 Ų175132.7 Ų132.792%0.91673%0.731SS**  trans-11413175-94.6153000114.5R197L195-R197 PolarHBondContact O-N 3.1Å; L195-R197 VanDerWaalsContact O-N 3.14Å
196Q41.8Very low44.9Very low179 Ų179134.6 Ų134.684%0.83674%0.743SS**  trans-8383.5167.6-73-171.2-12.700110.7
197R39.2Very low44.6Very low237 Ų237135.3 Ų135.389%0.89474%0.744SS**  trans-115.9109.9147.8-119.4-179.5-177.9178.90.6107.3L195 R199L195-R197 PolarHBondContact O-N 3.1Å; L195-R197 VanDerWaalsContact O-N 3.14Å; R197-R199 PolarHBondContact O-N 3.29Å
198P40.5Very low44.3Very low124 Ų124132.4 Ų132.481%0.80574%0.739SS**  trans-72.8116.1-177.828.6-29.7000108.5A200P198-A200 PolarHBondContact O-N 2.87Å
199R37.7Very low44Very low243 Ų243127.1 Ų127.192%0.91773%0.733SS**  trans-78.8111.5152.3-91.9-175.5172.7163.7-1.8106.6R197 G201R197-R199 PolarHBondContact O-N 3.29Å; R199-G201 PolarHBondContact O-N 2.8Å
200A39Very low43.6Very low106 Ų106122.6 Ų122.688%0.87672%0.719SS**THydrogen-bonded Turntrans-56128.7171.800000109.7P198P198-A200 PolarHBondContact O-N 2.87Å
201G42Very low43.2Very low87 Ų87124.7 Ų124.790%0.89772%0.724SS**THydrogen-bonded Turntrans131.5-8.8165.700000117.8R199R199-G201 PolarHBondContact O-N 2.8Å
202A38.8Very low42.7Very low89 Ų89124.7 Ų124.774%0.73673%0.725SS**  trans-115.6111.2178.300000111.4I204A202-I204 PolarHBondContact O-N 3.44Å
203S36.2Very low42.4Very low82 Ų82130.9 Ų130.957%0.57374%0.738SS**  trans-62.8125.2175.162.50000110.7S205S203-S205 PolarHBondContact O-N 3.37Å
204I45.8Very low42.3Very low146 Ų146134.2 Ų134.275%0.74975%0.745SS**G310 helixtrans-64.4-4.9177.8-60.6166.8000112.3A202 T206 L207A202-I204 PolarHBondContact O-N 3.44Å; I204-T206 PolarHBondContact O-N 2.93Å; I204-L207 PolarHBondContact O-N 3.22Å
205S46Very low42.2Very low101 Ų101125.7 Ų125.771%0.70673%0.732SS**G310 helixtrans-64.2-7.1-179.4-48.50000115.6S203S203-S205 PolarHBondContact O-N 3.37Å
206T46Very low42.3Very low111 Ų111125.2 Ų125.268%0.68173%0.725SS**G310 helixtrans-91.3-12.4178.249.60000114.5I204I204-T206 PolarHBondContact O-N 2.93Å
207L45.6Very low42.7Very low84 Ų84124.4 Ų124.444%0.4473%0.727SS.*THydrogen-bonded Turntrans-99.7-14.7179.5-72169.5000113.8F178 I204 G209 L210F178-L207 HydrophobicContact CE1-CD1 3.99Å; I204-L207 PolarHBondContact O-N 3.22Å; L207-G209 PolarHBondContact O-N 3.33Å; L207-L210 HydrophobicContact CD2-CD1 4.43Å; L207-L210 PolarHBondContact O-N 3.36Å
208A43.1Very low43.5Very low76 Ų76119.3 Ų119.363%0.62871%0.713SS**G310 helixtrans-65.8-16.717600000113.5L210A208-L210 PolarHBondContact O-N 3.02Å
209G43.6Very low44.6Very low60 Ų60122.4 Ų122.462%0.61971%0.714SS**G310 helixtrans-74-2.6176.900000115.3L207L207-G209 PolarHBondContact O-N 3.33Å
210L44Very low45.9Very low66 Ų66116.5 Ų116.535%0.34670%0.697SS.*G310 helixtrans-102.1-6.8178.3-70.7170.1000113.8L167 L207 A208 L212L167-L210 HydrophobicContact CD2-CD1 4.46Å; L167-L210 HydrophobicContact CD2-CD2 4.41Å; L207-L210 HydrophobicContact CD2-CD1 4.43Å; L207-L210 PolarHBondContact O-N 3.36Å; A208-L210 PolarHBondContact O-N 3.02Å; L210-L212 VanDerWaalsContact C-N 3.33Å; L210-L212 PolarHBondContact O-N 2.85Å
211S43.1Very low47.6Very low104 Ų104114.8 Ų114.873%0.72767%0.672SS**  trans-100.360.8167.9-159.90000108.9K213S211-K213 PolarHBondContact O-N 3.34Å
212L43.7Very low49.5Very low130 Ų130118.9 Ų118.968%0.68167%0.665SS**  trans-66.7112.1154.8-81.5161.5000104.8L210 E214L210-L212 VanDerWaalsContact C-N 3.33Å; L210-L212 PolarHBondContact O-N 2.85Å; L212-E214 VanDerWaalsContact C-N 3.3Å; L212-E214 PolarHBondContact O-N 2.89Å
213K42.5Very low51.9Low175 Ų175117 Ų11776%0.76164%0.643SS**  trans-47106.2154.7-75.5179.1172.8-178.40106.2S211 G215S211-K213 PolarHBondContact O-N 3.34Å; K213-G215 PolarHBondContact O-N 2.84Å
214E41.7Very low54.4Low202 Ų202121.5 Ų121.594%0.94465%0.654SS**SBendtrans-58.3106.1159-71179.2155.500105.3L212L212-E214 VanDerWaalsContact C-N 3.3Å; L212-E214 PolarHBondContact O-N 2.89Å
215G43.7Very low56.6Low63 Ų63120.3 Ų120.365%0.64966%0.656SS**  trans121.844.4175.600000117.2K213K213-G215 PolarHBondContact O-N 2.84Å
216E43.8Very low58.8Low164 Ų164118.6 Ų118.677%0.76665%0.648SS**  trans-114.1100.9134.7-82.8-176.4177.900106.5Q218E216-Q218 PolarHBondContact O-N 2.89Å
217D50Low61.1Low163 Ų163122.1 Ų122.187%0.87266%0.657SS**  trans-53.492.5167.2-76.7-42.2000108.2K219D217-K219 VanDerWaalsContact C-N 3.32Å; D217-K219 PolarHBondContact O-N 3.16Å
218Q56.6Low63.3Low129 Ų129122.2 Ų122.260%0.60367%0.669SS**  trans-59.6105.2164.7-74.2-175.71.900105.6E216 E220E216-Q218 PolarHBondContact O-N 2.89Å; Q218-E220 PolarHBondContact O-N 2.8Å
219K62.9Low65.8Low190 Ų190124 Ų12483%0.82667%0.672SS**  trans-38.7112.8178.1-68.3179.5179.7178.90108.4Q153 D217 I221Q153-K219 PolarHBondContact NE2-O 3.36Å; D217-K219 VanDerWaalsContact C-N 3.32Å; D217-K219 PolarHBondContact O-N 3.16Å; K219-I221 PolarHBondContact O-N 3.05Å; K219-I221 VanDerWaalsContact O-N 3.07Å
220E65.7Low68.2Low119 Ų119129.5 Ų129.556%0.55669%0.688SS**  trans-66.7113.2177.9-64.7-161.9136.100107.4K157 Q218 K222K157-E220 IonicContact NZ-OE1 2.85Å; K157-E220 PolarHBondContact NZ-OE1 2.88Å; Q218-E220 PolarHBondContact O-N 2.8Å; E220-K222 PolarHBondContact O-N 2.8Å
221I75.3Confident70.6Confident70 Ų70134.1 Ų134.136%0.35971%0.707SS.*  trans-69.8108.4171.4-58.7171.8000104.9E149 Y150 K219E149-I221 HydrophobicContact CB-CD1 4.28Å; Y150-I221 WeakPolarHBondContact CD2-O 3.39Å; Y150-I221 WeakPolarHBondContact CE2-O 3.43Å; K219-I221 PolarHBondContact O-N 3.05Å; K219-I221 VanDerWaalsContact O-N 3.07Å
222K81.8Confident73Confident172 Ų172134.6 Ų134.675%0.74871%0.706SS**PPolyproline II helixtrans-97.1119.1172.4-69.7-175.5-178.9-179.70107.7E220E220-K222 PolarHBondContact O-N 2.8Å
223I88.8Confident75.4Confident51 Ų51137 Ų13726%0.26271%0.713SS.*PPolyproline II helixtrans-101.7133172.4-170.5157000109.1K146 L147 Y150K146-I223 HydrophobicContact CB-CD1 4.03Å; L147-I223 HydrophobicContact CB-CD1 4.49Å; L147-I223 HydrophobicContact CD2-CD1 3.56Å; L147-I223 HydrophobicContact CG-CD1 3.79Å; Y150-I223 HydrophobicContact CD1-CG2 3.65Å; Y150-I223 HydrophobicContact CD2-CB 4.39Å; Y150-I223 HydrophobicContact CD2-CG2 3.72Å; Y150-I223 HydrophobicContact CE1-CG2 3.96Å; Y150-I223 HydrophobicContact CE2-CG2 4.02Å; Y150-I223 HydrophobicContact CG-CB 4.3Å; Y150-I223 HydrophobicContact CG-CG2 3.52Å
224E88.8Confident77.9Confident175 Ų175133.6 Ų133.682%0.81871%0.709SS**PPolyproline II helixtrans-75.6130.7174.9-67176.1-17700109.4
225P91.1Very high80.4Confident121 Ų121128.6 Ų128.679%0.78669%0.689SS**PPolyproline II helixtrans-63.3156.9176.527.3-33.5000110.8Q227P225-Q227 PolarHBondContact O-N 3.48Å
226A93.5Very high82.8Confident65 Ų65129.1 Ų129.154%0.53768%0.68SS.*PPolyproline II helixtrans-59.2128.6174.500000109.6A228A226-A228 PolarHBondContact O-N 2.93Å
227Q93.4Very high85.2Confident186 Ų186128.9 Ų128.987%0.86968%0.679SS**PPolyproline II helixtrans-68.5122.9168.8-172.9173.98.900108.6P225P225-Q227 PolarHBondContact O-N 3.48Å
228A93.3Very high87.3Confident85 Ų85125.6 Ų125.670%0.70266%0.662SS**PPolyproline II helixtrans-72.7132169.600000108.4A226A226-A228 PolarHBondContact O-N 2.93Å
229V94.9Very high89Confident113 Ų113126 Ų12669%0.68566%0.659SS**PPolyproline II helixtrans-82.4136.8171.9-67.70000108.8
230D93.5Very high90.5Very high177 Ų177125.1 Ų125.195%0.94765%0.651SS**SBendtrans-69.8-36-178.7-64.6-35.9000111.7
231E93.9Very high91.9Very high162 Ų162125.6 Ų125.676%0.75766%0.662SS**SBendtrans-133.4132.7176.4-167.7175.4-175.900109.2
232V95Very high92.8Very high114 Ų114129.1 Ų129.169%0.69167%0.671SS**PPolyproline II helixtrans-83.7148.517566.10000109.5
233E93.9Very high93.4Very high180 Ų180126.7 Ų126.784%0.84167%0.673SS**PPolyproline II helixtrans-51.9123.1176.8-66.4-179.8174.900110.8
234P94.6Very high93.7Very high104 Ų104129.1 Ų129.168%0.67569%0.69SS**PPolyproline II helixtrans-70.1162.8178.629.7-35000110.7
235L94.3Very high94Very high98 Ų98124.1 Ų124.151%0.51367%0.669SS.*PPolyproline II helixtrans-61.1129.9174.4-17470.7000109.9Y239L235-Y239 HydrophobicContact CD1-CD1 4.32Å; L235-Y239 HydrophobicContact CD1-CD2 4.06Å; L235-Y239 HydrophobicContact CD1-CE2 4.35Å; L235-Y239 HydrophobicContact CD1-CG 4.04Å; L235-Y239 HydrophobicContact CD2-CG 4.3Å; L235-Y239 HydrophobicContact CG-CD2 4.32Å; L235-Y239 HydrophobicContact CG-CG 4.19Å
236P94.8Very high94.2Very high73 Ų73125.1 Ų125.147%0.47467%0.667SS.*PPolyproline II helixtrans-58.5141.6178.7-24.734.2000112.4D238 Y239P236-D238 PolarHBondContact O-N 2.88Å; P236-D238 VanDerWaalsContact O-N 3.16Å; P236-Y239 HydrophobicContact CB-CD2 4.24Å; P236-Y239 HydrophobicContact CG-CD2 4.45Å; P236-Y239 HydrophobicContact CG-CE2 4.4Å; P236-Y239 PolarHBondContact O-N 2.88Å
237E94.3Very high94.1Very high159 Ų159127.6 Ų127.674%0.74368%0.676SS**THydrogen-bonded Turntrans-62-24.9-176.361.2-177.7170.400113.9Y239 Y240E237-Y239 PolarHBondContact O-N 3.26Å; E237-Y239 VanDerWaalsContact O-N 3.11Å; E237-Y240 WeakPolarHBondContact O-CD2 3.49Å; E237-Y240 PolarHBondContact O-N 2.7Å; E237-Y240 VanDerWaalsContact O-N 3.13Å
238D92.6Very high94.1Very high94 Ų94123.1 Ų123.150%0.50366%0.655SS.*Hα-helixtrans-51.7-33.6174.6-724.8000113P236 Y240 R242P236-D238 PolarHBondContact O-N 2.88Å; P236-D238 VanDerWaalsContact O-N 3.16Å; D238-Y240 PolarHBondContact O-N 2.76Å; D238-R242 WeakPolarHBondContact O-CB 3.27Å; D238-R242 PolarHBondContact O-N 3.27Å; D238-R242 VanDerWaalsContact O-N 3.16Å
239Y92.4Very high94.2Very high137 Ų137121.5 Ų121.554%0.53764%0.636SS.*Hα-helixtrans-66.9-23.1-176.4-84.1-101.4000113.7L235 P236 E237L235-Y239 HydrophobicContact CD1-CD1 4.32Å; L235-Y239 HydrophobicContact CD1-CD2 4.06Å; L235-Y239 HydrophobicContact CD1-CE2 4.35Å; L235-Y239 HydrophobicContact CD1-CG 4.04Å; L235-Y239 HydrophobicContact CD2-CG 4.3Å; L235-Y239 HydrophobicContact CG-CD2 4.32Å; L235-Y239 HydrophobicContact CG-CG 4.19Å; P236-Y239 HydrophobicContact CB-CD2 4.24Å; P236-Y239 HydrophobicContact CG-CD2 4.45Å; P236-Y239 HydrophobicContact CG-CE2 4.4Å; P236-Y239 PolarHBondContact O-N 2.88Å; E237-Y239 PolarHBondContact O-N 3.26Å; E237-Y239 VanDerWaalsContact O-N 3.11Å
240Y94.4Very high94.2Very high173 Ų173116.4 Ų116.468%0.67861%0.605SS**Hα-helixtrans-79.1-32.9-174.4-64.8-69.6000113.5E237 D238E237-Y240 WeakPolarHBondContact O-CD2 3.49Å; E237-Y240 PolarHBondContact O-N 2.7Å; E237-Y240 VanDerWaalsContact O-N 3.13Å; D238-Y240 PolarHBondContact O-N 2.76Å
241T94.9Very high94.3Very high128 Ų128111.7 Ų111.779%0.78558%0.583SS**Hα-helixtrans-120.6-13.5-170.260.30000113.7
242R94.9Very high94.4Very high145 Ų145110.1 Ų110.155%0.54758%0.579SS.*SBendtrans-81128.3-179.1-176.2176.3169.3175.7-4.5112D238 V244 E248D238-R242 WeakPolarHBondContact O-CB 3.27Å; D238-R242 PolarHBondContact O-N 3.27Å; D238-R242 VanDerWaalsContact O-N 3.16Å; R242-V244 PolarHBondContact O-N 3.4Å; R242-E248 IonicContact NH2-OE2 3.5Å; R242-E248 PolarHBondContact NH2-OE2 3.13Å
243P94.8Very high94.3Very high120 Ų120110.5 Ų110.578%0.77957%0.573SS**PPolyproline II helixtrans-60.8132.3168.8-22.233.3000111.7
244V94.1Very high94.3Very high102 Ų102103.7 Ų103.762%0.61854%0.541SS*.PPolyproline II helixtrans-92.7122.3-177.8-179.30000110.5R242 V249R242-V244 PolarHBondContact O-N 3.4Å; V244-V249 HydrophobicContact CG1-CG1 4.37Å
245N95.2Very high94.2Very high71 Ų71102 Ų10238%0.3852%0.522SS..PPolyproline II helixtrans-88.1119170.4-176.8-3.3000110.4T247 E248N245-T247 PolarHBondContact O-N 3.25Å; N245-T247 PolarHBondContact OD1-N 3.33Å; N245-E248 HydrophobicContact CB-CB 4.32Å; N245-E248 HydrophobicContact CB-CG 4.06Å; N245-E248 WeakPolarHBondContact CB-OE1 3.31Å; N245-E248 PolarHBondContact ND2-OE1 2.91Å; N245-E248 PolarHBondContact O-N 3.09Å; N245-E248 VanDerWaalsContact O-N 3.12Å
246L94.8Very high94.2Very high142 Ų142102 Ų10274%0.74352%0.521SS*.THydrogen-bonded Turntrans-64.6-20.2-178.9-62.6-178.2000113.6
247T93Very high94.1Very high117 Ų117102.1 Ų102.172%0.71852%0.518SS*.THydrogen-bonded Turntrans-78.5-24.8176.7-51.10000112.6N245N245-T247 PolarHBondContact O-N 3.25Å; N245-T247 PolarHBondContact OD1-N 3.33Å
248E92.8Very high94Very high92 Ų9294.9 Ų94.943%0.4348%0.484SS..THydrogen-bonded Turntrans-80.3-26.5179.6-73.7168.4-147.100112.3R242 N245 C265 A266R242-E248 IonicContact NH2-OE2 3.5Å; R242-E248 PolarHBondContact NH2-OE2 3.13Å; N245-E248 HydrophobicContact CB-CB 4.32Å; N245-E248 HydrophobicContact CB-CG 4.06Å; N245-E248 WeakPolarHBondContact CB-OE1 3.31Å; N245-E248 PolarHBondContact ND2-OE1 2.91Å; N245-E248 PolarHBondContact O-N 3.09Å; N245-E248 VanDerWaalsContact O-N 3.12Å; E248-C265 WeakPolarHBondContact O-CA 3.23Å; E248-A266 WeakPolarHBondContact O-CB 3.39Å; E248-A266 PolarHBondContact O-N 2.88Å
249V94.9Very high94Very high50 Ų5093.8 Ų93.830%0.30348%0.482SS..BIsolated β-bridgetrans-93.5138.6177.6-64.20000110.9V244V244-V249 HydrophobicContact CG1-CG1 4.37Å
250T95.1Very high93.9Very high7 Ų790.2 Ų90.24%0.04347%0.472CS..PPolyproline II helixtrans-80.4143.3178.357.40000111.1R255 P263 V264 A266 L269T250-R255 PolarHBondContact O-NE 3.22Å; T250-R255 PolarHBondContact O-NH2 3.34Å; T250-R255 WeakPolarHBondContact OG1-CG 3.17Å; T250-R255 PolarHBondContact OG1-NE 3.22Å; T250-P263 PolarHBondContact OG1-O 2.91Å; T250-V264 PolarHBondContact N-O 3.15Å; T250-V264 PolarHBondContact OG1-O 2.65Å; T250-V264 VanDerWaalsContact OG1-O 3.09Å; T250-A266 HydrophobicContact CG2-CB 4.45Å; T250-L269 HydrophobicContact CG2-CB 4.17Å; T250-L269 HydrophobicContact CG2-CD1 4.38Å; T250-L269 HydrophobicContact CG2-CD2 4.02Å; T250-L269 HydrophobicContact CG2-CG 4.4Å
251T95.6Very high93.6Very high78 Ų7885.4 Ų85.448%0.47946%0.455SS..PPolyproline II helixtrans-73.2159.7172.864.50000111.1Q253 Q254 R255T251-Q253 VanDerWaalsContact C-N 3.3Å; T251-Q253 PolarHBondContact O-N 2.97Å; T251-Q254 PolarHBondContact O-N 3.41Å; T251-Q254 VanDerWaalsContact O-N 3.14Å; T251-Q254 WeakPolarHBondContact OG1-CG 3.47Å; T251-Q254 PolarHBondContact OG1-OE1 2.76Å; T251-Q254 VanDerWaalsContact OG1-OE1 3.07Å; T251-R255 WeakPolarHBondContact O-CG 3.47Å; T251-R255 PolarHBondContact O-N 3.45Å
252L95.5Very high93.5Very high129 Ų12983.8 Ų83.868%0.67544%0.438SS*.Hα-helixtrans-55.3-44179.6-177.367000112.5Q254 R255 L256L252-Q254 VanDerWaalsContact C-N 3.32Å; L252-Q254 PolarHBondContact O-N 3.09Å; L252-R255 PolarHBondContact O-N 3.23Å; L252-L256 HydrophobicContact CD1-CD1 4.18Å; L252-L256 HydrophobicContact CD1-CG 4.24Å; L252-L256 HydrophobicContact CG-CD1 3.99Å; L252-L256 HydrophobicContact CG-CG 4.39Å; L252-L256 WeakPolarHBondContact O-CG 3.36Å; L252-L256 PolarHBondContact O-N 2.81Å
253Q94.2Very high93.3Very high122 Ų12277 Ų7757%0.5741%0.413SS*.Hα-helixtrans-60.7-43.2179.8-174.1174.7-0.100111.4T251 L256 L257T251-Q253 VanDerWaalsContact C-N 3.3Å; T251-Q253 PolarHBondContact O-N 2.97Å; Q253-L256 PolarHBondContact O-N 3.01Å; Q253-L257 WeakPolarHBondContact O-CG 3.44Å; Q253-L257 PolarHBondContact O-N 2.87Å
254Q92.4Very high93.2Very high37 Ų3774 Ų7417%0.17339%0.393CS..Hα-helixtrans-65-41178.4-64.2166.3-26.100111.6P77 G78 T251 L252 L257 L269P77-Q254 WeakPolarHBondContact O-CG 3.47Å; G78-Q254 PolarHBondContact O-NE2 2.87Å; T251-Q254 PolarHBondContact O-N 3.41Å; T251-Q254 VanDerWaalsContact O-N 3.14Å; T251-Q254 WeakPolarHBondContact OG1-CG 3.47Å; T251-Q254 PolarHBondContact OG1-OE1 2.76Å; T251-Q254 VanDerWaalsContact OG1-OE1 3.07Å; L252-Q254 VanDerWaalsContact C-N 3.32Å; L252-Q254 PolarHBondContact O-N 3.09Å; Q254-L257 PolarHBondContact O-N 2.65Å; Q254-L269 HydrophobicContact CB-CD2 4.33Å
255R94.1Very high93.2Very high69 Ų6971.4 Ų71.426%0.2638%0.378SS..Hα-helixtrans-61.9-45.5176.1-66.7-173.6-164.8179.45.1112.2T250 T251 L252 L257 Q258 Q262 P263T250-R255 PolarHBondContact O-NE 3.22Å; T250-R255 PolarHBondContact O-NH2 3.34Å; T250-R255 WeakPolarHBondContact OG1-CG 3.17Å; T250-R255 PolarHBondContact OG1-NE 3.22Å; T251-R255 WeakPolarHBondContact O-CG 3.47Å; T251-R255 PolarHBondContact O-N 3.45Å; L252-R255 PolarHBondContact O-N 3.23Å; R255-L257 PolarHBondContact O-N 3.06Å; R255-Q258 CarbonylContact O-C 3.59Å; R255-Q258 VanDerWaalsContact O-C 3.24Å; R255-Q258 PolarHBondContact O-N 3.05Å; R255-Q262 HydrophobicContact CB-CB 4.48Å; R255-P263 WeakPolarHBondContact CG-O 3.35Å
256L94.3Very high93.1Very high97 Ų9769.6 Ų69.651%0.50837%0.373SS..Hα-helixtrans-69.5-21.8-177.6-67.2179000113.2L252 Q253 Q258L252-L256 HydrophobicContact CD1-CD1 4.18Å; L252-L256 HydrophobicContact CD1-CG 4.24Å; L252-L256 HydrophobicContact CG-CD1 3.99Å; L252-L256 HydrophobicContact CG-CG 4.39Å; L252-L256 WeakPolarHBondContact O-CG 3.36Å; L252-L256 PolarHBondContact O-N 2.81Å; Q253-L256 PolarHBondContact O-N 3.01Å; L256-Q258 PolarHBondContact O-N 2.92Å
257L92.2Very high93Very high76 Ų7666.1 Ų66.140%0.39836%0.361SS..Hα-helixtrans-67.7-21170.9-70.1171.5000112.6M80 Q253 Q254 R255 P259 R272M80-L257 HydrophobicContact CG-CD1 3.55Å; M80-L257 HydrophobicContact SD-CD1 4.06Å; Q253-L257 WeakPolarHBondContact O-CG 3.44Å; Q253-L257 PolarHBondContact O-N 2.87Å; Q254-L257 PolarHBondContact O-N 2.65Å; R255-L257 PolarHBondContact O-N 3.06Å; L257-P259 VanDerWaalsContact C-CD 3.5Å; L257-P259 WeakPolarHBondContact O-CD 3.1Å; L257-R272 WeakPolarHBondContact O-CD 3.39Å; L257-R272 PolarHBondContact O-NH1 2.69Å
258Q91.6Very high92.9Very high7 Ų765.2 Ų65.23%0.03335%0.348CS..SBendtrans-120.470.4174.6-169.8155.124.200111.3R255 L256 D260 F261 Q262 Y270R255-Q258 CarbonylContact O-C 3.59Å; R255-Q258 VanDerWaalsContact O-C 3.24Å; R255-Q258 PolarHBondContact O-N 3.05Å; L256-Q258 PolarHBondContact O-N 2.92Å; Q258-D260 PolarHBondContact O-N 2.84Å; Q258-F261 HydrophobicContact CG-CD1 4.46Å; Q258-F261 HydrophobicContact CG-CE1 4.03Å; Q258-F261 HydrophobicContact CG-CE2 4.13Å; Q258-F261 HydrophobicContact CG-CZ 3.89Å; Q258-Q262 WeakPolarHBondContact O-CA 3.39Å; Q258-Q262 PolarHBondContact O-N 2.76Å; Q258-Y270 PolarHBondContact OE1-O 2.79Å
259P92Very high92.8Very high71 Ų7161.1 Ų61.146%0.46133%0.329SS..THydrogen-bonded Turntrans-70.2-16.4-173.232.2-35.4000113.7L257 F261L257-P259 VanDerWaalsContact C-CD 3.5Å; L257-P259 WeakPolarHBondContact O-CD 3.1Å; P259-F261 VanDerWaalsContact C-N 3.27Å; P259-F261 PolarHBondContact O-N 2.72Å
260D90.7Very high92.7Very high62 Ų6262.2 Ų62.233%0.33233%0.329SS..THydrogen-bonded Turntrans-63.7-31.8-176.5-64.8-69.1000112.7Q258 R272Q258-D260 PolarHBondContact O-N 2.84Å; D260-R272 IonicContact OD2-CZ 3.3Å; D260-R272 IonicContact OD2-NH2 2.73Å; D260-R272 PolarHBondContact OD2-NH2 2.96Å
261F89.5Confident92.6Very high72 Ų7262.1 Ų62.132%0.31633%0.328SS..THydrogen-bonded Turntrans-150.4-3.8178.356.8-98.2000115.5Q258 P259 P263 Y270Q258-F261 HydrophobicContact CG-CD1 4.46Å; Q258-F261 HydrophobicContact CG-CE1 4.03Å; Q258-F261 HydrophobicContact CG-CE2 4.13Å; Q258-F261 HydrophobicContact CG-CZ 3.89Å; P259-F261 VanDerWaalsContact C-N 3.27Å; P259-F261 PolarHBondContact O-N 2.72Å; F261-P263 HydrophobicContact CD2-CB 4.26Å; F261-P263 HydrophobicContact CD2-CG 4.27Å; F261-P263 HydrophobicContact CE2-CB 4.11Å; F261-P263 HydrophobicContact CE2-CG 3.93Å; F261-Y270 HydrophobicContact CE2-CD2 4.41Å; F261-Y270 AromaticContact CZ-CD2 3.95Å; F261-Y270 HydrophobicContact CZ-CD2 3.95Å
262Q92.1Very high92.5Very high93 Ų9360.2 Ų60.244%0.43531%0.312SS..  trans45.667168.3-59.9-175.5-900115.3R255 Q258 V264R255-Q262 HydrophobicContact CB-CB 4.48Å; Q258-Q262 WeakPolarHBondContact O-CA 3.39Å; Q258-Q262 PolarHBondContact O-N 2.76Å; Q262-V264 PolarHBondContact O-N 3.08Å
263P91.6Very high92.5Very high2 Ų255.7 Ų55.71%0.01329%0.287CS..  trans-65.3131.9-170.726.9-33.9000112.7T250 R255 F261 Q268 L269T250-P263 PolarHBondContact OG1-O 2.91Å; R255-P263 WeakPolarHBondContact CG-O 3.35Å; F261-P263 HydrophobicContact CD2-CB 4.26Å; F261-P263 HydrophobicContact CD2-CG 4.27Å; F261-P263 HydrophobicContact CE2-CB 4.11Å; F261-P263 HydrophobicContact CE2-CG 3.93Å; P263-Q268 HydrophobicContact CB-CB 3.52Å; P263-Q268 WeakPolarHBondContact CB-O 3.41Å; P263-Q268 WeakPolarHBondContact CG-O 3.24Å; P263-L269 HydrophobicContact CG-CB 4.41Å; P263-L269 HydrophobicContact CG-CD1 3.92Å
264V92.7Very high92.5Very high59 Ų5950.9 Ų50.936%0.35827%0.265SS..SBendtrans-76-38.2178.1178.40000111.6T250 Q262T250-V264 PolarHBondContact N-O 3.15Å; T250-V264 PolarHBondContact OG1-O 2.65Å; T250-V264 VanDerWaalsContact OG1-O 3.09Å; Q262-V264 PolarHBondContact O-N 3.08Å
265C93.6Very high92.7Very high47 Ų4753.8 Ų53.832%0.31828%0.278SS..BIsolated β-bridgetrans-96.3143.3-177.9-60.10000111.6E248 S267 Q268E248-C265 WeakPolarHBondContact O-CA 3.23Å; C265-S267 PolarHBondContact O-N 2.9Å; C265-Q268 PolarHBondContact O-N 2.87Å; C265-Q268 VanDerWaalsContact O-N 3.09Å
266A92.3Very high92.8Very high33 Ų3350.8 Ų50.827%0.27327%0.267SS..G310 helixtrans-61.7-29178.300000112.8V121 E248 T250 Q268 L269V121-A266 VanDerWaalsContact CG1-O 3.27Å; V121-A266 WeakPolarHBondContact CG1-O 3.37Å; E248-A266 WeakPolarHBondContact O-CB 3.39Å; E248-A266 PolarHBondContact O-N 2.88Å; T250-A266 HydrophobicContact CG2-CB 4.45Å; A266-Q268 PolarHBondContact O-N 2.89Å; A266-L269 VanDerWaalsContact O-CB 3.23Å; A266-L269 WeakPolarHBondContact O-CB 3.38Å; A266-L269 PolarHBondContact O-N 3.03Å; A266-L269 VanDerWaalsContact O-N 3.1Å
267S92Very high92.9Very high69 Ų6949.8 Ų49.848%0.48326%0.262SS..G310 helixtrans-63.1-25.1175.754.50000113.8C265C265-S267 PolarHBondContact O-N 2.9Å
268Q91.2Very high93Very high97 Ų9750 Ų5045%0.45326%0.263SS..G310 helixtrans-96.84.2178.5-63.9170.8-5.500112.1P263 C265 A266 Y270P263-Q268 HydrophobicContact CB-CB 3.52Å; P263-Q268 WeakPolarHBondContact CB-O 3.41Å; P263-Q268 WeakPolarHBondContact CG-O 3.24Å; C265-Q268 PolarHBondContact O-N 2.87Å; C265-Q268 VanDerWaalsContact O-N 3.09Å; A266-Q268 PolarHBondContact O-N 2.89Å; Q268-Y270 WeakPolarHBondContact O-CD2 3.36Å; Q268-Y270 PolarHBondContact O-N 3.17Å
269L91.2Very high93.1Very high7 Ų750.7 Ų50.74%0.03727%0.266CS..  trans-87.887.5-176.7-173.467.6000110.5P77 T250 Q254 P263 A266P77-L269 HydrophobicContact CB-CD1 3.98Å; P77-L269 HydrophobicContact CB-CD2 3.74Å; P77-L269 HydrophobicContact CB-CG 3.56Å; P77-L269 HydrophobicContact CG-CD2 4Å; P77-L269 HydrophobicContact CG-CG 3.86Å; T250-L269 HydrophobicContact CG2-CB 4.17Å; T250-L269 HydrophobicContact CG2-CD1 4.38Å; T250-L269 HydrophobicContact CG2-CD2 4.02Å; T250-L269 HydrophobicContact CG2-CG 4.4Å; Q254-L269 HydrophobicContact CB-CD2 4.33Å; P263-L269 HydrophobicContact CG-CB 4.41Å; P263-L269 HydrophobicContact CG-CD1 3.92Å; A266-L269 VanDerWaalsContact O-CB 3.23Å; A266-L269 WeakPolarHBondContact O-CB 3.38Å; A266-L269 PolarHBondContact O-N 3.03Å; A266-L269 VanDerWaalsContact O-N 3.1Å
270Y92.8Very high93.2Very high73 Ų7353.1 Ų53.129%0.28627%0.265SS..PPolyproline II helixtrans-79.2145.5-179.1-63.2-78000112M123 P136 Q258 F261 Q268M123-Y270 HydrophobicContact CG-CD1 3.89Å; M123-Y270 HydrophobicContact CG-CE1 4Å; M123-Y270 HydrophobicContact SD-CD1 3.92Å; P136-Y270 HydrophobicContact CG-CD2 3.91Å; P136-Y270 HydrophobicContact CG-CE2 4.06Å; P136-Y270 HydrophobicContact CG-CG 4.13Å; Q258-Y270 PolarHBondContact OE1-O 2.79Å; F261-Y270 HydrophobicContact CE2-CD2 4.41Å; F261-Y270 AromaticContact CZ-CD2 3.95Å; F261-Y270 HydrophobicContact CZ-CD2 3.95Å; Q268-Y270 WeakPolarHBondContact O-CD2 3.36Å; Q268-Y270 PolarHBondContact O-N 3.17Å
271P93.8Very high93.4Very high5 Ų550.1 Ų50.13%0.03225%0.25CC..PPolyproline II helixtrans-66.7138.5174.630.8-34.9000110.1L83 L109 W116 M123L83-P271 HydrophobicContact CD1-CB 3.59Å; L83-P271 HydrophobicContact CD1-CG 4.5Å; L109-P271 HydrophobicContact CD1-CG 4.16Å; W116-P271 HydrophobicContact CH2-CB 3.89Å; W116-P271 HydrophobicContact CH2-CG 3.79Å; W116-P271 HydrophobicContact CZ3-CB 4.34Å; M123-P271 HydrophobicContact CE-CG 4.07Å; M123-P271 WeakPolarHBondContact SD-CD 3.36Å; M123-P271 HydrophobicContact SD-CG 3.77Å
272R92.9Very high93.6Very high38 Ų3847 Ų4714%0.14324%0.236CC..EExtended strand (participates in β ladder)trans-101.1151.3175.1-67.1-166.280.9172.620111.7F74 D75 E135 L257 D260F74-R272 WeakPolarHBondContact CA-O 3.39Å; D75-R272 PolarHBondContact N-O 2.83Å; E135-R272 VanDerWaalsContact OE1-CA 3.24Å; E135-R272 WeakPolarHBondContact OE1-CA 3.13Å; L257-R272 WeakPolarHBondContact O-CD 3.39Å; L257-R272 PolarHBondContact O-NH1 2.69Å; D260-R272 IonicContact OD2-CZ 3.3Å; D260-R272 IonicContact OD2-NH2 2.73Å; D260-R272 PolarHBondContact OD2-NH2 2.96Å
273H94.8Very high93.8Very high33 Ų3346 Ų4615%0.15323%0.228CC..EExtended strand (participates in β ladder)trans-56.4143.7171.8-75.8-74.9000111.6R69 C70 A71 C73 F74 E135R69-H273 HydrophobicContact CB-CB 3.59Å; R69-H273 WeakPolarHBondContact CD-O 3.47Å; R69-H273 HydrophobicContact CG-CB 4.15Å; R69-H273 PolarHBondContact NH1-O 3.38Å; C70-H273 WeakPolarHBondContact O-CB 3.33Å; C70-H273 PolarHBondContact O-ND1 2.75Å; A71-H273 PolarHBondContact O-CE1 2.94Å; A71-H273 PolarHBondContact O-ND1 3.33Å; C73-H273 CarbonylContact O-C 3.59Å; C73-H273 WeakPolarHBondContact O-CA 3.35Å; F74-H273 AromaticContact CD1-ND1 3.95Å; F74-H273 AromaticContact CE1-CE1 3.29Å; F74-H273 WeakPolarHBondContact CE1-CE1 3.21Å; F74-H273 AromaticContact CE1-CG 3.83Å; F74-H273 AromaticContact CE1-ND1 3.35Å; F74-H273 WeakPolarHBondContact CE1-ND1 3.21Å; F74-H273 AromaticContact CE1-NE2 3.73Å; F74-H273 AromaticContact CZ-CE1 3.26Å; F74-H273 WeakPolarHBondContact CZ-CE1 3.43Å; F74-H273 AromaticContact CZ-ND1 3.55Å; E135-H273 VanDerWaalsContact CD-CD2 3.45Å; E135-H273 IonicContact OE1-CD2 3.22Å; E135-H273 PolarHBondContact OE1-CD2 3.18Å; E135-H273 IonicContact OE1-CG 2.72Å; E135-H273 PolarHBondContact OE1-N 3.05Å
274K94.9Very high93.9Very high22 Ų2246 Ų4610%0.09623%0.228CC..EExtended strand (participates in β ladder)trans-66.9136.8-174.3-173.4160.2-166.189.30111.9P52 R69 C70 C73 D75 T82P52-K274 HydrophobicContact CG-CD 4.34Å; R69-K274 WeakPolarHBondContact CA-O 3.33Å; C70-K274 HydrophobicContact CB-CB 4.47Å; C70-K274 PolarHBondContact N-O 2.91Å; C73-K274 HydrophobicContact CB-CB 3.7Å; C73-K274 HydrophobicContact CB-CD 4.06Å; C73-K274 HydrophobicContact CB-CG 4.47Å; C73-K274 PolarHBondContact O-N 2.96Å; D75-K274 WeakPolarHBondContact OD1-CD 3.36Å; D75-K274 WeakPolarHBondContact OD1-CG 3.33Å; D75-K274 IonicContact OD1-NZ 3.99Å; D75-K274 PolarHBondContact OD1-NZ 2.94Å; D75-K274 WeakPolarHBondContact OD2-CA 3.34Å; T82-K274 HydrophobicContact CG2-CD 4.03Å; T82-K274 WeakPolarHBondContact OG1-CE 3.4Å; T82-K274 PolarHBondContact OG1-NZ 2.77Å
275H96Very high93.7Very high97 Ų9748.8 Ų48.845%0.44923%0.232SC..EExtended strand (participates in β ladder)trans-68.5135.4179.2-156.5-67.8000111.6
276L96.2Very high93.6Very high6 Ų652.7 Ų52.73%0.03124%0.244CC..PPolyproline II helixtrans-77.1146.1174.1-58.9173.4000111.3H49 Y50 C51 M58 A63 N68 C70H49-L276 HydrophobicContact CB-CD1 4.16Å; Y50-L276 WeakPolarHBondContact O-CA 3.28Å; C51-L276 HydrophobicContact CB-CD2 4.01Å; M58-L276 HydrophobicContact CE-CD1 3.25Å; M58-L276 HydrophobicContact CE-CD2 3.14Å; M58-L276 HydrophobicContact CE-CG 3.7Å; M58-L276 HydrophobicContact SD-CD1 4.48Å; A63-L276 HydrophobicContact CB-CD1 4.1Å; N68-L276 WeakPolarHBondContact O-CB 2.9Å; N68-L276 VanDerWaalsContact O-CG 3.31Å; N68-L276 WeakPolarHBondContact O-CG 3.31Å; N68-L276 PolarHBondContact O-N 2.79Å; C70-L276 HydrophobicContact CB-CD2 3.99Å
277L96.1Very high93.4Very high76 Ų7652.8 Ų52.840%0.39824%0.242SC..EExtended strand (participates in β ladder)trans-97.6164.2168.7-60.9-171.8000110H49 Y50 P52H49-L277 CarbonylContact C-O 3.56Å; H49-L277 WeakPolarHBondContact CA-O 3.39Å; Y50-L277 HydrophobicContact CD1-CB 4.31Å; Y50-L277 HydrophobicContact CE1-CB 3.76Å; Y50-L277 HydrophobicContact CE2-CB 4.32Å; Y50-L277 HydrophobicContact CE2-CD1 4.49Å; Y50-L277 PolarHBondContact N-O 3.31Å; Y50-L277 PolarHBondContact O-N 2.72Å; P52-L277 HydrophobicContact CB-CD1 3.77Å; P52-L277 HydrophobicContact CB-CG 4.2Å; P52-L277 HydrophobicContact CG-CD1 4.14Å; P52-L277 HydrophobicContact CG-CG 4.06Å
278I94.7Very high93.4Very high81 Ų8156.5 Ų56.542%0.41525%0.252SS..EExtended strand (participates in β ladder)trans-114.1146.5-18086.8167.3000110.1V46 S48 R280V46-I278 HydrophobicContact CG1-CB 4.33Å; V46-I278 HydrophobicContact CG1-CD1 4.49Å; V46-I278 HydrophobicContact CG2-CD1 4.02Å; S48-I278 CarbonylContact O-C 3.58Å; S48-I278 WeakPolarHBondContact O-CA 3.46Å; I278-R280 HydrophobicContact CD1-CG 3.75Å; I278-R280 HydrophobicContact CG1-CG 3.91Å
279K93.5Very high93.4Very high22 Ų2255.4 Ų55.410%0.09625%0.246CC..EExtended strand (participates in β ladder)trans-93.9125.3159-70.9-169.6166.1-170.80109D47 S48 Y50 P294 E295 N297D47-K279 PolarHBondContact N-O 2.63Å; S48-K279 PolarHBondContact O-N 3.34Å; Y50-K279 HydrophobicContact CD1-CG 4.01Å; Y50-K279 HydrophobicContact CE1-CG 3.84Å; K279-P294 HydrophobicContact CD-CB 4.29Å; K279-E295 PolarHBondContact NZ-O 3.5Å; K279-N297 PolarHBondContact NZ-O 3.21Å
280R93.6Very high93.5Very high121 Ų12156.8 Ų56.846%0.45725%0.254SS..EExtended strand (participates in β ladder)trans-89.9135.1-179.8-63.7-180-67.4149.7-0109.9E45 I278 P294E45-R280 WeakPolarHBondContact O-CA 3.4Å; I278-R280 HydrophobicContact CD1-CG 3.75Å; I278-R280 HydrophobicContact CG1-CG 3.91Å; R280-P294 VanDerWaalsContact O-CD 3.24Å; R280-P294 WeakPolarHBondContact O-CD 3.48Å; R280-P294 WeakPolarHBondContact O-CG 3.31Å
281S95.1Very high93.6Very high0 Ų053.3 Ų53.30%024%0.24CC..EExtended strand (participates in β ladder)trans-107144.2163.8-176.40000108.5E45 S292E45-S281 PolarHBondContact N-O 3.39Å; E45-S281 PolarHBondContact O-N 2.86Å; S281-S292 WeakPolarHBondContact CA-O 3.47Å; S281-S292 PolarHBondContact OG-O 2.82Å
282L95.5Very high93.6Very high5 Ų553.4 Ų53.43%0.02624%0.241CC..EExtended strand (participates in β ladder)trans-117.3132.8-175.8-53.4-178.8000110Y28 L39 V42 H44 L291 S292Y28-L282 HydrophobicContact CD1-CD1 4.31Å; Y28-L282 HydrophobicContact CD2-CD1 4.02Å; Y28-L282 HydrophobicContact CE1-CD1 3.68Å; Y28-L282 HydrophobicContact CE2-CD1 3.34Å; Y28-L282 HydrophobicContact CG-CD1 4.45Å; Y28-L282 VanDerWaalsContact OH-CD1 3.28Å; Y28-L282 WeakPolarHBondContact OH-CD1 3.19Å; L39-L282 HydrophobicContact CD1-CD1 3.99Å; L39-L282 HydrophobicContact CD1-CD2 4Å; V42-L282 HydrophobicContact CG2-CB 4.46Å; V42-L282 HydrophobicContact CG2-CD2 4.17Å; H44-L282 WeakPolarHBondContact CD2-CD2 3.24Å; L282-L291 HydrophobicContact CB-CB 4.36Å; L282-L291 PolarHBondContact O-N 3.02Å; L282-S292 PolarHBondContact N-O 3.2Å; L282-S292 PolarHBondContact O-N 3.43Å
283R95.1Very high93.7Very high74 Ų7454.1 Ų54.128%0.27925%0.245SC..EExtended strand (participates in β ladder)trans-122.8147173.6-69.2-177.2-172-113.78.1112V42 S43 E45 E288 H289 N290V42-R283 WeakPolarHBondContact CB-O 3.38Å; S43-R283 PolarHBondContact N-O 3.35Å; S43-R283 PolarHBondContact O-N 3.38Å; S43-R283 WeakPolarHBondContact OG-CB 3.27Å; S43-R283 PolarHBondContact OG-O 3.01Å; E45-R283 WeakPolarHBondContact OE1-CD 3.39Å; E45-R283 IonicContact OE1-CZ 3.62Å; E45-R283 IonicContact OE1-NE 2.74Å; E45-R283 PolarHBondContact OE1-NE 3.06Å; E45-R283 IonicContact OE2-CZ 3.5Å; E45-R283 IonicContact OE2-NE 3.08Å; E45-R283 PolarHBondContact OE2-NE 2.93Å; E45-R283 IonicContact OE2-NH2 3.21Å; E45-R283 PolarHBondContact OE2-NH2 2.98Å; R283-E288 PolarHBondContact NH1-O 2.77Å; R283-H289 WeakPolarHBondContact CA-O 3.4Å; R283-N290 WeakPolarHBondContact CG-OD1 3.36Å; R283-N290 PolarHBondContact NE-OD1 3.48Å
284C93Very high93.6Very high0 Ų053.6 Ų53.60%024%0.244CC..EExtended strand (participates in β ladder)trans-71.5132.6172.5-1750000109.6C287 E288 H289 L291C284-C287 VanDerWaalsContact CB-SG 3.58Å; C284-E288 WeakPolarHBondContact O-CA 3.39Å; C284-E288 PolarHBondContact O-N 3.48Å; C284-H289 PolarHBondContact N-O 3.31Å; C284-L291 HydrophobicContact CB-CD1 4.06Å; C284-L291 HydrophobicContact CB-CD2 4.33Å; C284-L291 HydrophobicContact CB-CG 4.21Å
285R90.4Very high93.4Very high119 Ų11955.9 Ų55.945%0.44926%0.255SS..THydrogen-bonded Turntrans-69.8-30.6177.2-68.3-173-171.5175.27.6113.8E17 E40 C41 V42E17-R285 IonicContact OE2-NH1 3.85Å; E17-R285 PolarHBondContact OE2-NH1 2.75Å; E40-R285 PolarHBondContact O-NH2 3.49Å; E40-R285 VanDerWaalsContact O-NH2 3.16Å; C41-R285 VanDerWaalsContact O-CD 3.32Å; C41-R285 WeakPolarHBondContact O-CD 3.45Å; C41-R285 WeakPolarHBondContact O-CG 3.49Å; C41-R285 PolarHBondContact O-NE 2.97Å; V42-R285 PolarHBondContact O-NE 3.07Å; V42-R285 PolarHBondContact O-NH2 3.02Å; V42-R285 VanDerWaalsContact O-NH2 3.14Å
286K89.5Confident93Very high129 Ų12957 Ų5756%0.56126%0.259SS*.THydrogen-bonded Turntrans-76-42.5-177.8-66.3-159-169.2176.30113E35 R37E35-K286 IonicContact OE1-NZ 3.15Å; E35-K286 PolarHBondContact OE1-NZ 3.08Å; E35-K286 VanDerWaalsContact OE2-CE 3.23Å; E35-K286 WeakPolarHBondContact OE2-CE 3.43Å; E35-K286 IonicContact OE2-NZ 3.69Å; E35-K286 PolarHBondContact OE2-NZ 2.85Å; R37-K286 VanDerWaalsContact NH2-CE 3.34Å
287C90.1Very high92.7Very high35 Ų3560.6 Ų60.624%0.23628%0.278CS..THydrogen-bonded Turntrans-118.71.2-172.669.90000114.1C30 C284 H289C30-C287 PolarHBondContact SG-SG 3.23Å; C284-C287 VanDerWaalsContact CB-SG 3.58Å; C287-H289 PolarHBondContact O-N 2.91Å; C287-H289 PolarHBondContact O-ND1 3.46Å
288E91.1Very high92.4Very high147 Ų14758 Ų5869%0.68727%0.266SS*.  trans58.86.3177.7-55.7-169155.800116.4R283 C284R283-E288 PolarHBondContact NH1-O 2.77Å; C284-E288 WeakPolarHBondContact O-CA 3.39Å; C284-E288 PolarHBondContact O-N 3.48Å
289H91.8Very high92.2Very high73 Ų7358.5 Ų58.534%0.33827%0.273SS..  trans-75.4146.7176.9-73.977.5000111.5Y32 R283 C284 C287 L291Y32-H289 AromaticContact CD1-CD2 3.63Å; Y32-H289 AromaticContact CD1-CE1 3.81Å; Y32-H289 AromaticContact CD1-CG 3.94Å; Y32-H289 AromaticContact CD1-NE2 3.55Å; Y32-H289 HydrophobicContact CD2-CB 3.52Å; Y32-H289 AromaticContact CD2-CD2 3.65Å; Y32-H289 AromaticContact CD2-CG 3.51Å; Y32-H289 AromaticContact CE1-CD2 3.33Å; Y32-H289 WeakPolarHBondContact CE1-CD2 3.29Å; Y32-H289 AromaticContact CE1-NE2 3.35Å; Y32-H289 VanDerWaalsContact CE1-NE2 3.35Å; Y32-H289 WeakPolarHBondContact CE1-NE2 3.47Å; Y32-H289 HydrophobicContact CE2-CB 3.75Å; Y32-H289 AromaticContact CE2-CD2 3.36Å; Y32-H289 WeakPolarHBondContact CE2-CD2 3.36Å; Y32-H289 AromaticContact CE2-CG 3.67Å; Y32-H289 HydrophobicContact CG-CB 4.1Å; Y32-H289 AromaticContact CG-CD2 3.78Å; Y32-H289 AromaticContact CG-CG 3.65Å; Y32-H289 AromaticContact CG-ND1 3.9Å; Y32-H289 AromaticContact CZ-CD2 3.18Å; Y32-H289 AromaticContact CZ-CG 3.94Å; Y32-H289 AromaticContact CZ-NE2 3.72Å; R283-H289 WeakPolarHBondContact CA-O 3.4Å; C284-H289 PolarHBondContact N-O 3.31Å; C287-H289 PolarHBondContact O-N 2.91Å; C287-H289 PolarHBondContact O-ND1 3.46Å; H289-L291 PolarHBondContact O-N 3.01Å
290N93.3Very high92.2Very high36 Ų3658.7 Ų58.719%0.19328%0.277CS..EExtended strand (participates in β ladder)trans-69.2128.9176.9-67.4-72.2000110.7R283 I305R283-N290 WeakPolarHBondContact CG-OD1 3.36Å; R283-N290 PolarHBondContact NE-OD1 3.48Å; N290-I305 HydrophobicContact CB-CD1 3.78Å
291L93.6Very high92.2Very high0 Ų060.5 Ų60.50%029%0.294CS..EExtended strand (participates in β ladder)trans-98-40.1174.7-62.6174.6000111.1C30 R37 V42 L282 C284 H289 L307C30-L291 HydrophobicContact CB-CD2 3.65Å; R37-L291 HydrophobicContact CB-CD1 4.33Å; R37-L291 HydrophobicContact CG-CD1 4.38Å; V42-L291 HydrophobicContact CB-CD1 4.47Å; V42-L291 HydrophobicContact CG1-CD1 3.43Å; V42-L291 VanDerWaalsContact CG1-CD1 3.43Å; L282-L291 HydrophobicContact CB-CB 4.36Å; L282-L291 PolarHBondContact O-N 3.02Å; C284-L291 HydrophobicContact CB-CD1 4.06Å; C284-L291 HydrophobicContact CB-CD2 4.33Å; C284-L291 HydrophobicContact CB-CG 4.21Å; H289-L291 PolarHBondContact O-N 3.01Å; L291-L307 HydrophobicContact CD2-CB 4.48Å; L291-L307 HydrophobicContact CD2-CD1 4.24Å; L291-L307 WeakPolarHBondContact O-CA 3.18Å; L291-L307 VanDerWaalsContact O-CB 3.28Å; L291-L307 WeakPolarHBondContact O-CB 3.48Å; L291-L307 PolarHBondContact O-N 3.46Å
292S94.1Very high92.1Very high7 Ų767 Ų675%0.04932%0.323CS..EExtended strand (participates in β ladder)trans-140.9128.4177.6-175.10000109.6S281 L282 I305S281-S292 WeakPolarHBondContact CA-O 3.47Å; S281-S292 PolarHBondContact OG-O 2.82Å; L282-S292 PolarHBondContact N-O 3.2Å; L282-S292 PolarHBondContact O-N 3.43Å; S292-I305 CarbonylContact C-O 3.57Å; S292-I305 WeakPolarHBondContact CA-O 3.46Å
293K94.4Very high92Very high54 Ų5471 Ų7124%0.23534%0.34CS..EExtended strand (participates in β ladder)trans-137.1104.8172.2-175161.3-176.5131.20109.3D47 F303 K304 I305D47-K293 VanDerWaalsContact OD1-CE 3.24Å; D47-K293 WeakPolarHBondContact OD1-CE 3.36Å; D47-K293 IonicContact OD1-NZ 3.07Å; D47-K293 PolarHBondContact OD1-NZ 2.78Å; K293-F303 CarbonylContact O-C 3.54Å; K293-K304 HydrophobicContact CG-CB 4.47Å; K293-K304 PolarHBondContact O-N 3.38Å; K293-I305 HydrophobicContact CB-CB 4.04Å; K293-I305 HydrophobicContact CB-CD1 4.4Å; K293-I305 HydrophobicContact CB-CG1 4.3Å; K293-I305 PolarHBondContact N-O 3.05Å; K293-I305 PolarHBondContact O-N 2.81Å
294P93.1Very high91.9Very high21 Ų2175 Ų7514%0.13636%0.359CS..EExtended strand (participates in β ladder)trans-61.2158.9172.9-2233.5000112.1K279 R280 F303K279-P294 HydrophobicContact CD-CB 4.29Å; R280-P294 VanDerWaalsContact O-CD 3.24Å; R280-P294 WeakPolarHBondContact O-CD 3.48Å; R280-P294 WeakPolarHBondContact O-CG 3.31Å; P294-F303 HydrophobicContact CB-CD1 4.34Å; P294-F303 HydrophobicContact CB-CE1 4.43Å; P294-F303 HydrophobicContact CG-CD1 4.19Å; P294-F303 HydrophobicContact CG-CE1 4.04Å
295E91.2Very high91.9Very high70 Ų7077.5 Ų77.533%0.32737%0.372SS..  trans-69.4153.2165.4-74.7-175.5175.300111.9K279 N297 S300 K302K279-E295 PolarHBondContact NZ-O 3.5Å; E295-N297 VanDerWaalsContact C-N 3.35Å; E295-N297 PolarHBondContact O-N 2.94Å; E295-S300 WeakPolarHBondContact OE2-CB 3.38Å; E295-S300 PolarHBondContact OE2-OG 3.08Å; E295-K302 HydrophobicContact CG-CB 4.16Å; E295-K302 PolarHBondContact N-O 3.37Å; E295-K302 VanDerWaalsContact N-O 3.08Å
296F87.1Confident92Very high122 Ų12275.9 Ų75.954%0.53537%0.37SS..SBendtrans-66.2-34.4-177.8-170.7-104.1000112.8N57 P298N57-F296 HydrophobicContact CB-CD1 4.42Å; N57-F296 HydrophobicContact CB-CE1 3.79Å; N57-F296 HydrophobicContact CB-CZ 4Å; N57-F296 WeakPolarHBondContact ND2-CD1 3.37Å; N57-F296 VanDerWaalsContact ND2-CD2 3.32Å; N57-F296 WeakPolarHBondContact ND2-CD2 3.3Å; N57-F296 WeakPolarHBondContact ND2-CE1 3.42Å; N57-F296 WeakPolarHBondContact ND2-CE2 3.24Å; N57-F296 WeakPolarHBondContact ND2-CG 2.88Å; N57-F296 WeakPolarHBondContact ND2-CZ 3.42Å; N57-F296 PolarHBondContact ND2-O 3.02Å; N57-F296 WeakPolarHBondContact OD1-CE2 3.26Å; N57-F296 WeakPolarHBondContact OD1-CZ 3.29Å; F296-P298 VanDerWaalsContact O-CD 3.28Å; F296-P298 WeakPolarHBondContact O-CD 3.33Å
297N89.8Confident92.2Very high80 Ų8070 Ų7043%0.42834%0.344SS..  trans-64.1119.6-178.1-179.9-2.5000111.2K279 E295 T299 S300K279-N297 PolarHBondContact NZ-O 3.21Å; E295-N297 VanDerWaalsContact C-N 3.35Å; E295-N297 PolarHBondContact O-N 2.94Å; N297-T299 PolarHBondContact ND2-OG1 2.71Å; N297-T299 PolarHBondContact O-N 3.06Å; N297-T299 PolarHBondContact OD1-N 3.04Å; N297-T299 PolarHBondContact OD1-OG1 3.35Å; N297-S300 WeakPolarHBondContact O-CB 3.43Å; N297-S300 PolarHBondContact O-N 3.31Å
298P89.5Confident92.4Very high23 Ų2369.3 Ų69.315%0.14934%0.339CS..THydrogen-bonded Turntrans-60.4-26.6-178.9-28.540.4000115.1Y50 L55 N57 F296 S300Y50-P298 HydrophobicContact CD2-CB 3.84Å; Y50-P298 HydrophobicContact CD2-CG 4.41Å; Y50-P298 HydrophobicContact CG-CB 4.03Å; Y50-P298 HydrophobicContact CG-CG 4.15Å; L55-P298 HydrophobicContact CB-CB 4.23Å; L55-P298 WeakPolarHBondContact O-CB 3.38Å; L55-P298 VanDerWaalsContact O-CG 3.25Å; L55-P298 WeakPolarHBondContact O-CG 3.37Å; N57-P298 HydrophobicContact CB-CG 3.91Å; F296-P298 VanDerWaalsContact O-CD 3.28Å; F296-P298 WeakPolarHBondContact O-CD 3.33Å; P298-S300 VanDerWaalsContact C-N 3.35Å
299T92.4Very high92.5Very high90 Ų9062.3 Ų62.355%0.55231%0.307SS*.THydrogen-bonded Turntrans-80.8-14.6177.258.70000113.5L55 N297L55-T299 HydrophobicContact CB-CG2 4.32Å; L55-T299 HydrophobicContact CD1-CG2 3.71Å; N297-T299 PolarHBondContact ND2-OG1 2.71Å; N297-T299 PolarHBondContact O-N 3.06Å; N297-T299 PolarHBondContact OD1-N 3.04Å; N297-T299 PolarHBondContact OD1-OG1 3.35Å
300S92.9Very high92.6Very high27 Ų2760.8 Ų60.819%0.18930%0.302CS..  trans-82.3134.2-176.9-173.90000111.4E295 N297 P298 K302E295-S300 WeakPolarHBondContact OE2-CB 3.38Å; E295-S300 PolarHBondContact OE2-OG 3.08Å; N297-S300 WeakPolarHBondContact O-CB 3.43Å; N297-S300 PolarHBondContact O-N 3.31Å; P298-S300 VanDerWaalsContact C-N 3.35Å; S300-K302 WeakPolarHBondContact OG-CB 3.24Å; S300-K302 PolarHBondContact OG-N 2.77Å; S300-K302 VanDerWaalsContact OG-N 3.15Å
301I92.8Very high92.5Very high158 Ų15862.5 Ų62.581%0.8131%0.311SS*.  trans-91.4-1.8169.461.8170.7000112.6
302K93.9Very high92.4Very high138 Ų13864.6 Ų64.660%0.632%0.319SS*.  trans-80.7153.6-176.2-62.5-178.5179.8-1780111.3E295 S300E295-K302 HydrophobicContact CG-CB 4.16Å; E295-K302 PolarHBondContact N-O 3.37Å; E295-K302 VanDerWaalsContact N-O 3.08Å; S300-K302 WeakPolarHBondContact OG-CB 3.24Å; S300-K302 PolarHBondContact OG-N 2.77Å; S300-K302 VanDerWaalsContact OG-N 3.15Å
303F92.6Very high92.4Very high87 Ų8764.3 Ų64.338%0.38232%0.317SS..EExtended strand (participates in β ladder)trans-114.3135.4175.7-67.5-92.7000109.4K293 P294 I305 Q306K293-F303 CarbonylContact O-C 3.54Å; P294-F303 HydrophobicContact CB-CD1 4.34Å; P294-F303 HydrophobicContact CB-CE1 4.43Å; P294-F303 HydrophobicContact CG-CD1 4.19Å; P294-F303 HydrophobicContact CG-CE1 4.04Å; F303-I305 VanDerWaalsContact C-N 3.34Å; F303-Q306 HydrophobicContact CB-CB 3.72Å; F303-Q306 HydrophobicContact CB-CG 4.37Å; F303-Q306 HydrophobicContact CD2-CG 4.28Å; F303-Q306 HydrophobicContact CG-CB 4.13Å; F303-Q306 HydrophobicContact CG-CG 4.26Å
304K93.5Very high92.4Very high159 Ų15961.8 Ų61.869%0.69131%0.306SS*.EExtended strand (participates in β ladder)trans-69.7-37168.7-174.4174.5-177.6174.40110.9K293K293-K304 HydrophobicContact CG-CB 4.47Å; K293-K304 PolarHBondContact O-N 3.38Å
305I92.3Very high92.4Very high52 Ų5262.2 Ų62.227%0.26731%0.307SS..EExtended strand (participates in β ladder)trans-135.8127.2174.6-56.8175000107.4N290 S292 K293 F303 L307N290-I305 HydrophobicContact CB-CD1 3.78Å; S292-I305 CarbonylContact C-O 3.57Å; S292-I305 WeakPolarHBondContact CA-O 3.46Å; K293-I305 HydrophobicContact CB-CB 4.04Å; K293-I305 HydrophobicContact CB-CD1 4.4Å; K293-I305 HydrophobicContact CB-CG1 4.3Å; K293-I305 PolarHBondContact N-O 3.05Å; K293-I305 PolarHBondContact O-N 2.81Å; F303-I305 VanDerWaalsContact C-N 3.34Å; I305-L307 HydrophobicContact CG2-CG 4.12Å
306Q92.9Very high92.6Very high86 Ų8659.2 Ų59.240%0.40229%0.293SS..EExtended strand (participates in β ladder)trans-138.993.9-179.8-172.7178.5-3.800110.9F303 V308F303-Q306 HydrophobicContact CB-CB 3.72Å; F303-Q306 HydrophobicContact CB-CG 4.37Å; F303-Q306 HydrophobicContact CD2-CG 4.28Å; F303-Q306 HydrophobicContact CG-CB 4.13Å; F303-Q306 HydrophobicContact CG-CG 4.26Å; Q306-V308 HydrophobicContact CG-CG2 3.75Å
307L93.5Very high92.9Very high4 Ų457.8 Ų57.82%0.02128%0.284CS..  trans-105.557.2177.4-53.4-174.5000111.6Y28 F29 R31 L291 I305 Y312Y28-L307 CarbonylContact C-O 3.57Å; Y28-L307 VanDerWaalsContact CA-O 3.29Å; Y28-L307 WeakPolarHBondContact CA-O 3.17Å; Y28-L307 WeakPolarHBondContact CB-O 3.43Å; F29-L307 PolarHBondContact N-O 2.95Å; F29-L307 WeakPolarHBondContact O-CB 3.33Å; R31-L307 VanDerWaalsContact NE-CD2 3.32Å; L291-L307 HydrophobicContact CD2-CB 4.48Å; L291-L307 HydrophobicContact CD2-CD1 4.24Å; L291-L307 WeakPolarHBondContact O-CA 3.18Å; L291-L307 VanDerWaalsContact O-CB 3.28Å; L291-L307 WeakPolarHBondContact O-CB 3.48Å; L291-L307 PolarHBondContact O-N 3.46Å; I305-L307 HydrophobicContact CG2-CG 4.12Å; L307-Y312 HydrophobicContact CB-CE2 4.41Å; L307-Y312 HydrophobicContact CD2-CE2 4.06Å; L307-Y312 VanDerWaalsContact CD2-OH 3.24Å; L307-Y312 WeakPolarHBondContact CD2-OH 3.29Å
308V94.1Very high93Very high22 Ų2255.8 Ų55.813%0.13327%0.273CS..BIsolated β-bridgetrans-79139.7177.1-1760000109.5Y28 Q306 V310 N311 Y312Y28-V308 HydrophobicContact CD1-CG2 4.28Å; Y28-V308 HydrophobicContact CE1-CG2 4.11Å; Q306-V308 HydrophobicContact CG-CG2 3.75Å; V308-V310 VanDerWaalsContact C-N 3.31Å; V308-V310 HydrophobicContact CB-CG1 4.45Å; V308-V310 HydrophobicContact CG1-CG1 3.8Å; V308-V310 PolarHBondContact O-N 2.71Å; V308-N311 PolarHBondContact O-N 3.35Å; V308-N311 VanDerWaalsContact O-N 3.14Å; V308-Y312 WeakPolarHBondContact O-CD2 3.46Å
309A94.3Very high93.2Very high0 Ų060.1 Ų60.10%029%0.293CS..G310 helixtrans-61.7-35.3-172.900000113.9L24 L27 F29 L36 N311 Y312 I313L24-A309 HydrophobicContact CD1-CB 3.64Å; L24-A309 HydrophobicContact CG-CB 4.2Å; L27-A309 HydrophobicContact CB-CB 3.75Å; L27-A309 WeakPolarHBondContact O-CB 3.38Å; L27-A309 PolarHBondContact O-N 3.39Å; F29-A309 HydrophobicContact CB-CB 4.35Å; L36-A309 HydrophobicContact CD1-CB 3.45Å; L36-A309 VanDerWaalsContact CD1-CB 3.45Å; A309-N311 PolarHBondContact O-N 3.21Å; A309-Y312 PolarHBondContact O-N 2.98Å; A309-I313 HydrophobicContact CB-CD1 4.39Å; A309-I313 PolarHBondContact O-N 3.42Å
310V92.9Very high93.1Very high41 Ų4158.6 Ų58.625%0.24829%0.286CS..G310 helixtrans-58.1-19.6177.375.40000113.8V308 P339V308-V310 VanDerWaalsContact C-N 3.31Å; V308-V310 HydrophobicContact CB-CG1 4.45Å; V308-V310 HydrophobicContact CG1-CG1 3.8Å; V308-V310 PolarHBondContact O-N 2.71Å; V310-P339 WeakPolarHBondContact O-CB 3.29Å
311N92Very high92.9Very high72 Ų7260.1 Ų60.139%0.38529%0.291SS..G310 helixtrans-89.6-6.4178.2-66.4-10.2000113.4V308 A309V308-N311 PolarHBondContact O-N 3.35Å; V308-N311 VanDerWaalsContact O-N 3.14Å; A309-N311 PolarHBondContact O-N 3.21Å
312Y91.8Very high92.8Very high43 Ų4354.7 Ų54.717%0.16927%0.266CS..THydrogen-bonded Turntrans-129.3-33.9-173.6-64.3-76.7000113.6F29 R31 L307 V308 A309 F432F29-Y312 HydrophobicContact CB-CD2 4.05Å; F29-Y312 HydrophobicContact CB-CG 4.38Å; F29-Y312 HydrophobicContact CD1-CD1 4.25Å; F29-Y312 HydrophobicContact CD1-CD2 4.01Å; F29-Y312 AromaticContact CD1-CG 3.69Å; F29-Y312 HydrophobicContact CD1-CG 3.69Å; F29-Y312 HydrophobicContact CE1-CG 4.46Å; F29-Y312 HydrophobicContact CG-CD2 4.47Å; F29-Y312 HydrophobicContact CG-CG 4.36Å; R31-Y312 HydrophobicContact CG-CE1 4.2Å; L307-Y312 HydrophobicContact CB-CE2 4.41Å; L307-Y312 HydrophobicContact CD2-CE2 4.06Å; L307-Y312 VanDerWaalsContact CD2-OH 3.24Å; L307-Y312 WeakPolarHBondContact CD2-OH 3.29Å; V308-Y312 WeakPolarHBondContact O-CD2 3.46Å; A309-Y312 PolarHBondContact O-N 2.98Å; Y312-F432 HydrophobicContact CD1-CE2 4.1Å
313I93.3Very high92.6Very high1 Ų153.4 Ų53.41%0.00527%0.266CS..SBendtrans-103.3134.3-175.4-62179.7000109.1Y12 L24 F29 L36 A309 E315 M428 Q456Y12-I313 HydrophobicContact CE1-CG2 4.21Å; L24-I313 HydrophobicContact CD1-CB 4.25Å; L24-I313 HydrophobicContact CD1-CD1 4.49Å; L24-I313 HydrophobicContact CD1-CG2 4.27Å; F29-I313 HydrophobicContact CD2-CD1 3.98Å; F29-I313 HydrophobicContact CD2-CG1 4.27Å; L36-I313 HydrophobicContact CD1-CD1 3.57Å; L36-I313 HydrophobicContact CD2-CD1 4.18Å; L36-I313 HydrophobicContact CG-CD1 4.3Å; A309-I313 HydrophobicContact CB-CD1 4.39Å; A309-I313 PolarHBondContact O-N 3.42Å; I313-E315 PolarHBondContact O-N 2.93Å; I313-M428 HydrophobicContact CG2-CE 3.77Å; I313-Q456 HydrophobicContact CD1-CG 4.39Å; I313-Q456 HydrophobicContact CG2-CG 4.49Å
314P94Very high92.4Very high1 Ų149.4 Ų49.41%0.00625%0.249CC..PPolyproline II helixtrans-52.1125.7173.3-28.336.3000112.5Y12 L336 T337 T344 V346 L374 M428 H430Y12-P314 PolarHBondContact OH-O 3.27Å; Y12-P314 VanDerWaalsContact OH-O 3.05Å; P314-L336 HydrophobicContact CB-CD1 3.85Å; P314-L336 HydrophobicContact CB-CG 4.34Å; P314-T337 WeakPolarHBondContact CA-O 3.13Å; P314-T344 HydrophobicContact CG-CG2 4.08Å; P314-V346 HydrophobicContact CG-CG2 4.18Å; P314-L374 HydrophobicContact CB-CD1 4.22Å; P314-L374 HydrophobicContact CG-CD1 4.44Å; P314-M428 HydrophobicContact CB-CE 4.17Å; P314-M428 HydrophobicContact CB-SD 4.22Å; P314-M428 WeakPolarHBondContact O-CE 3.35Å; P314-H430 HydrophobicContact CG-CB 4.15Å
315E94.2Very high92.2Very high31 Ų3147.6 Ų47.615%0.14524%0.237CC..EExtended strand (participates in β ladder)trans-88.4124.1-177.5-172.2-178.4-169.800110.2L24 I313 R317 L336 T337L24-E315 HydrophobicContact CD2-CB 3.89Å; L24-E315 HydrophobicContact CD2-CG 3.97Å; I313-E315 PolarHBondContact O-N 2.93Å; E315-R317 HydrophobicContact CG-CG 4.16Å; E315-R317 IonicContact OE1-CZ 2.71Å; E315-R317 IonicContact OE1-NE 2.62Å; E315-R317 PolarHBondContact OE1-NE 3.4Å; E315-R317 IonicContact OE1-NH2 3.54Å; E315-R317 PolarHBondContact OE1-NH2 3.41Å; E315-R317 IonicContact OE2-CZ 2.72Å; E315-R317 VanDerWaalsContact OE2-CZ 3.3Å; E315-R317 IonicContact OE2-NE 2.62Å; E315-R317 PolarHBondContact OE2-NE 2.98Å; E315-R317 IonicContact OE2-NH2 3.98Å; E315-R317 PolarHBondContact OE2-NH2 2.84Å; E315-L336 WeakPolarHBondContact O-CA 3.42Å; E315-T337 PolarHBondContact N-O 3.22Å; E315-T337 PolarHBondContact O-N 3.3Å
316V94.3Very high92Very high6 Ų649.8 Ų49.84%0.03624%0.243CC..EExtended strand (participates in β ladder)trans-92.9130.8171.2-179.60000108.7V10 Y12 L334 T335 L336 F426 M428 L460V10-V316 HydrophobicContact CG1-CB 4.25Å; V10-V316 HydrophobicContact CG1-CG1 4.47Å; Y12-V316 PolarHBondContact OH-N 3.28Å; V316-L334 HydrophobicContact CG1-CB 4.5Å; V316-L334 HydrophobicContact CG1-CD1 4.09Å; V316-T335 CarbonylContact C-O 3.49Å; V316-T335 WeakPolarHBondContact CA-O 3.28Å; V316-L336 HydrophobicContact CG2-CD1 3.63Å; V316-F426 HydrophobicContact CG1-CZ 4.33Å; V316-F426 HydrophobicContact CG2-CZ 4.35Å; V316-M428 HydrophobicContact CG2-SD 3.84Å; V316-L460 HydrophobicContact CG1-CD2 4.15Å
317R93.4Very high91.7Very high93 Ų9351.4 Ų51.435%0.35125%0.252SS..EExtended strand (participates in β ladder)trans-133.3154170.4-60.2-173.7177177.96.8111E315 L334 T335E315-R317 HydrophobicContact CG-CG 4.16Å; E315-R317 IonicContact OE1-CZ 2.71Å; E315-R317 IonicContact OE1-NE 2.62Å; E315-R317 PolarHBondContact OE1-NE 3.4Å; E315-R317 IonicContact OE1-NH2 3.54Å; E315-R317 PolarHBondContact OE1-NH2 3.41Å; E315-R317 IonicContact OE2-CZ 2.72Å; E315-R317 VanDerWaalsContact OE2-CZ 3.3Å; E315-R317 IonicContact OE2-NE 2.62Å; E315-R317 PolarHBondContact OE2-NE 2.98Å; E315-R317 IonicContact OE2-NH2 3.98Å; E315-R317 PolarHBondContact OE2-NH2 2.84Å; R317-L334 CarbonylContact O-C 3.48Å; R317-L334 VanDerWaalsContact O-CA 3.26Å; R317-L334 WeakPolarHBondContact O-CA 3.42Å; R317-T335 PolarHBondContact N-O 3.33Å; R317-T335 PolarHBondContact O-N 3.17Å
318I93.1Very high91.6Very high38 Ų3856.8 Ų56.820%0.19528%0.275CS..EExtended strand (participates in β ladder)trans-89.4121.7174.4-55.7162.3000108.1R9 V10 I321 V332 L334 L460 L462R9-I318 HydrophobicContact CB-CD1 4.41Å; V10-I318 HydrophobicContact CG2-CD1 4.06Å; V10-I318 HydrophobicContact CG2-CG1 4.04Å; I318-I321 HydrophobicContact CG2-CD1 3.72Å; I318-I321 HydrophobicContact CG2-CG1 3.36Å; I318-V332 HydrophobicContact CG2-CG1 4.34Å; I318-L334 HydrophobicContact CB-CD2 4.19Å; I318-L334 HydrophobicContact CG1-CD2 3.76Å; I318-L334 HydrophobicContact CG2-CD2 4.32Å; I318-L460 HydrophobicContact CD1-CD2 4.41Å; I318-L460 HydrophobicContact CG1-CD2 4.23Å; I318-L462 HydrophobicContact CD1-CD2 3.99Å; I318-L462 HydrophobicContact CG1-CD2 4.46Å
319M91.9Very high91.4Very high113 Ų11361 Ų6156%0.55729%0.293SS*.EExtended strand (participates in β ladder)trans-89.7-53.4178.4-168.183.2141.700110.8L333 T335 F401M319-L333 HydrophobicContact CB-CB 4.29Å; M319-L333 HydrophobicContact CB-CD2 3.96Å; M319-L333 HydrophobicContact CB-CG 3.84Å; M319-L333 WeakPolarHBondContact CB-O 3.26Å; M319-L333 HydrophobicContact CG-CD2 3.86Å; M319-L333 HydrophobicContact CG-CG 4.29Å; M319-L333 PolarHBondContact N-O 3.22Å; M319-T335 HydrophobicContact CB-CG2 3.95Å; M319-T335 HydrophobicContact CE-CG2 4.35Å; M319-T335 HydrophobicContact CG-CG2 4.25Å; M319-T335 HydrophobicContact SD-CG2 3.67Å; M319-F401 HydrophobicContact CE-CE1 3.73Å; M319-F401 HydrophobicContact CE-CZ 3.55Å
320S90.7Very high91.3Very high59 Ų5961.7 Ų61.741%0.41330%0.298SS..EExtended strand (participates in β ladder)trans-141.7144.1-179.668.50000110.5L333S320-L333 PolarHBondContact N-O 3.38Å; S320-L333 PolarHBondContact O-N 2.93Å; S320-L333 VanDerWaalsContact OG-CB 3.27Å; S320-L333 WeakPolarHBondContact OG-CB 3.35Å
321I89.6Confident91.2Very high58 Ų5864.7 Ų64.730%0.29731%0.31SS..  trans-121.8120.9-180-51.5178.5000106.6I318 L324 L462I318-I321 HydrophobicContact CG2-CD1 3.72Å; I318-I321 HydrophobicContact CG2-CG1 3.36Å; I321-L324 HydrophobicContact CG2-CD1 4.24Å; I321-L324 HydrophobicContact CG2-CG 4.4Å; I321-L462 WeakPolarHBondContact CD1-O 3.25Å; I321-L462 HydrophobicContact CG2-CB 4.46Å
322P90.7Very high91.2Very high44 Ų4461.3 Ų61.329%0.28629%0.292SS..  trans-73173.9173.535.7-39.3000110.7L324 Q331 V332P322-L324 HydrophobicContact CG-CD2 4.35Å; P322-L324 PolarHBondContact O-N 3.22Å; P322-L324 VanDerWaalsContact O-N 3.12Å; P322-Q331 WeakPolarHBondContact CD-O 3.16Å; P322-Q331 VanDerWaalsContact CG-O 3.25Å; P322-Q331 WeakPolarHBondContact CG-O 3.45Å; P322-V332 HydrophobicContact CG-CG2 4.38Å
323N89.6Confident91.3Very high111 Ų11160.3 Ų60.359%0.59429%0.289SS*.  trans-68.4109.7171.7-67.2-25.1000110.3L466N323-L466 HydrophobicContact CB-CD1 3.76Å; N323-L466 WeakPolarHBondContact OD1-CD1 3.4Å
324L89.2Confident91.3Very high4 Ų460.3 Ų60.32%0.02129%0.289CS..  trans-80.9127.3179.1-58.2173.2000110I321 P322 P415 V422 L462 L466I321-L324 HydrophobicContact CG2-CD1 4.24Å; I321-L324 HydrophobicContact CG2-CG 4.4Å; P322-L324 HydrophobicContact CG-CD2 4.35Å; P322-L324 PolarHBondContact O-N 3.22Å; P322-L324 VanDerWaalsContact O-N 3.12Å; L324-P415 HydrophobicContact CB-CG 4.33Å; L324-V422 HydrophobicContact CB-CG2 4.38Å; L324-V422 HydrophobicContact CD1-CB 3.75Å; L324-V422 HydrophobicContact CD1-CG1 4.04Å; L324-V422 HydrophobicContact CD1-CG2 3.81Å; L324-L462 HydrophobicContact CD1-CB 3.73Å; L324-L462 HydrophobicContact CD1-CD1 4.36Å; L324-L466 PolarHBondContact O-N 3.19Å
325R87.6Confident91.3Very high121 Ų12160.4 Ų60.446%0.45729%0.29SS..  trans-128.8150.3177.5-68.3-177.1177.5169.5-2.7110.3M327 K328R325-M327 PolarHBondContact O-N 2.85Å; R325-K328 HydrophobicContact CB-CB 4.11Å; R325-K328 HydrophobicContact CB-CD 3.92Å; R325-K328 HydrophobicContact CB-CG 4.3Å; R325-K328 PolarHBondContact O-N 3.46Å
326Y88.6Confident91.2Very high97 Ų9759 Ų5938%0.3828%0.283SS..THydrogen-bonded Turntrans-55.4130.2-179.4179.5-113.9000111.8K328 Q416 R417 E418Y326-K328 PolarHBondContact O-N 3.33Å; Y326-Q416 WeakPolarHBondContact CE2-O 3.39Å; Y326-R417 VanDerWaalsContact CD2-C 3.46Å; Y326-R417 WeakPolarHBondContact CD2-O 3.38Å; Y326-E418 HydrophobicContact CD1-CG 4.15Å; Y326-E418 HydrophobicContact CD2-CB 4.33Å; Y326-E418 HydrophobicContact CD2-CG 3.84Å; Y326-E418 HydrophobicContact CE1-CG 3.87Å; Y326-E418 HydrophobicContact CE2-CB 4.35Å; Y326-E418 HydrophobicContact CE2-CG 3.52Å; Y326-E418 HydrophobicContact CG-CG 4.13Å
327M87.9Confident91.2Very high121 Ų12159.8 Ų59.860%0.59629%0.288SS*.THydrogen-bonded Turntrans55.519.2178.6-66.2-72.6-79.700115R325 P415R325-M327 PolarHBondContact O-N 2.85Å; M327-P415 PolarHBondContact N-O 3.44Å
328K89.8Confident91.1Very high117 Ų11755.3 Ų55.351%0.50927%0.271SS..  trans-110127.2176.2-70.5-173.6177.51790111R325 Y326 S330 P415R325-K328 HydrophobicContact CB-CB 4.11Å; R325-K328 HydrophobicContact CB-CD 3.92Å; R325-K328 HydrophobicContact CB-CG 4.3Å; R325-K328 PolarHBondContact O-N 3.46Å; Y326-K328 PolarHBondContact O-N 3.33Å; K328-S330 PolarHBondContact O-N 2.85Å; K328-S330 PolarHBondContact O-OG 3.31Å; K328-P415 WeakPolarHBondContact O-CD 3.42Å
329E91Very high90.9Very high109 Ų10954.8 Ų54.851%0.50927%0.27SS..  trans-66.2126.2174.1-168.6-177.2149.200110.1K412 T414E329-K412 HydrophobicContact CG-CB 4.07Å; E329-K412 HydrophobicContact CG-CG 4.37Å; E329-K412 WeakPolarHBondContact OE1-CD 3.45Å; E329-K412 WeakPolarHBondContact OE1-CE 3.18Å; E329-K412 WeakPolarHBondContact OE1-CG 3.25Å; E329-K412 IonicContact OE1-NZ 2.79Å; E329-K412 PolarHBondContact OE1-NZ 3.38Å; E329-T414 HydrophobicContact CB-CG2 4.26Å
330S91.1Very high90.8Very high15 Ų1551.2 Ų51.211%0.10526%0.255CS..EExtended strand (participates in β ladder)trans-129.7137.6179.9-54.70000109.8K328 V413K328-S330 PolarHBondContact O-N 2.85Å; K328-S330 PolarHBondContact O-OG 3.31Å; S330-V413 PolarHBondContact N-O 2.87Å; S330-V413 PolarHBondContact O-N 3.45Å
331Q91.1Very high90.5Very high104 Ų10456.2 Ų56.249%0.48627%0.272SS..EExtended strand (participates in β ladder)trans-91.2114.8178.9-71.9178.4-40.200111P322 I411 K412P322-Q331 WeakPolarHBondContact CD-O 3.16Å; P322-Q331 VanDerWaalsContact CG-O 3.25Å; P322-Q331 WeakPolarHBondContact CG-O 3.45Å; Q331-I411 WeakPolarHBondContact CA-O 3.33Å; Q331-K412 HydrophobicContact CG-CG 4.1Å
332V92.3Very high90.3Very high2 Ų257.2 Ų57.21%0.01228%0.277CS..EExtended strand (participates in β ladder)trans-95.9134.9175.2-179.80000108.9I318 P322 L334 I411 V413 L462I318-V332 HydrophobicContact CG2-CG1 4.34Å; P322-V332 HydrophobicContact CG-CG2 4.38Å; V332-L334 HydrophobicContact CG1-CD2 3.79Å; V332-L334 HydrophobicContact CG1-CG 4.4Å; V332-I411 PolarHBondContact N-O 2.72Å; V332-I411 PolarHBondContact O-N 3.07Å; V332-V413 HydrophobicContact CG2-CB 4.35Å; V332-V413 HydrophobicContact CG2-CG2 3.91Å; V332-L462 HydrophobicContact CG1-CD2 4.02Å; V332-L462 HydrophobicContact CG2-CD1 3.99Å; V332-L462 HydrophobicContact CG2-CD2 4.41Å
333L93.4Very high90.2Very high21 Ų2158.9 Ų58.911%0.1128%0.284CS..EExtended strand (participates in β ladder)trans-95.7116.5174.8-179.561.1000109.8M319 S320 A400 F401 F410M319-L333 HydrophobicContact CB-CB 4.29Å; M319-L333 HydrophobicContact CB-CD2 3.96Å; M319-L333 HydrophobicContact CB-CG 3.84Å; M319-L333 WeakPolarHBondContact CB-O 3.26Å; M319-L333 HydrophobicContact CG-CD2 3.86Å; M319-L333 HydrophobicContact CG-CG 4.29Å; M319-L333 PolarHBondContact N-O 3.22Å; S320-L333 PolarHBondContact N-O 3.38Å; S320-L333 PolarHBondContact O-N 2.93Å; S320-L333 VanDerWaalsContact OG-CB 3.27Å; S320-L333 WeakPolarHBondContact OG-CB 3.35Å; L333-A400 HydrophobicContact CD1-CB 3.48Å; L333-A400 VanDerWaalsContact CD1-CB 3.48Å; L333-F401 HydrophobicContact CD2-CE1 4.35Å; L333-F410 HydrophobicContact CB-CD1 4.36Å; L333-F410 HydrophobicContact CB-CE1 4.19Å; L333-F410 HydrophobicContact CD1-CD1 4.11Å; L333-F410 HydrophobicContact CD1-CE1 3.92Å; L333-F410 HydrophobicContact CD1-CZ 4.33Å; L333-F410 HydrophobicContact CG-CE1 4.49Å
334L93.5Very high90.1Very high1 Ų153.9 Ų53.91%0.00526%0.257CS..EExtended strand (participates in β ladder)trans-106151.8173-54.7-176.4000110.2V316 R317 I318 V332 G408 I409 I411 L460V316-L334 HydrophobicContact CG1-CB 4.5Å; V316-L334 HydrophobicContact CG1-CD1 4.09Å; R317-L334 CarbonylContact O-C 3.48Å; R317-L334 VanDerWaalsContact O-CA 3.26Å; R317-L334 WeakPolarHBondContact O-CA 3.42Å; I318-L334 HydrophobicContact CB-CD2 4.19Å; I318-L334 HydrophobicContact CG1-CD2 3.76Å; I318-L334 HydrophobicContact CG2-CD2 4.32Å; V332-L334 HydrophobicContact CG1-CD2 3.79Å; V332-L334 HydrophobicContact CG1-CG 4.4Å; L334-G408 CarbonylContact O-C 3.52Å; L334-G408 VanDerWaalsContact O-CA 3.29Å; L334-G408 WeakPolarHBondContact O-CA 3.3Å; L334-I409 HydrophobicContact CB-CD1 4.45Å; L334-I409 HydrophobicContact CB-CG1 3.91Å; L334-I409 PolarHBondContact N-O 3.07Å; L334-I409 PolarHBondContact O-N 3.5Å; L334-I411 HydrophobicContact CD1-CD1 3.41Å; L334-I411 VanDerWaalsContact CD1-CD1 3.41Å; L334-I411 HydrophobicContact CD1-CG1 4.04Å; L334-I411 HydrophobicContact CG-CD1 4.36Å; L334-L460 HydrophobicContact CD1-CD1 3.65Å; L334-L460 HydrophobicContact CD2-CD1 4.07Å
335T93.7Very high90.2Very high4 Ų456.6 Ų56.63%0.02527%0.269CS..EExtended strand (participates in β ladder)trans-110132166.968.30000110V316 R317 M319 F401 K406 V407V316-T335 CarbonylContact C-O 3.49Å; V316-T335 WeakPolarHBondContact CA-O 3.28Å; R317-T335 PolarHBondContact N-O 3.33Å; R317-T335 PolarHBondContact O-N 3.17Å; M319-T335 HydrophobicContact CB-CG2 3.95Å; M319-T335 HydrophobicContact CE-CG2 4.35Å; M319-T335 HydrophobicContact CG-CG2 4.25Å; M319-T335 HydrophobicContact SD-CG2 3.67Å; T335-F401 HydrophobicContact CG2-CE1 4.48Å; T335-F401 HydrophobicContact CG2-CZ 3.9Å; T335-K406 HydrophobicContact CG2-CD 4.17Å; T335-V407 CarbonylContact C-O 3.58Å; T335-V407 WeakPolarHBondContact CA-O 3.23Å
336L93.4Very high90.4Very high2 Ų250.8 Ų50.81%0.0125%0.248CC..EExtended strand (participates in β ladder)trans-107.9124.6171.4-169.165.8000108.6P314 E315 V316 V346 L374 K406 V407 M428P314-L336 HydrophobicContact CB-CD1 3.85Å; P314-L336 HydrophobicContact CB-CG 4.34Å; E315-L336 WeakPolarHBondContact O-CA 3.42Å; V316-L336 HydrophobicContact CG2-CD1 3.63Å; L336-V346 HydrophobicContact CD2-CB 3.96Å; L336-V346 HydrophobicContact CD2-CG1 3.79Å; L336-V346 HydrophobicContact CD2-CG2 4.05Å; L336-L374 HydrophobicContact CB-CD2 4.35Å; L336-L374 HydrophobicContact CD2-CD1 3.73Å; L336-L374 HydrophobicContact CD2-CD2 4Å; L336-L374 HydrophobicContact CD2-CG 4.2Å; L336-L374 HydrophobicContact CG-CD1 3.75Å; L336-L374 HydrophobicContact CG-CD2 4.18Å; L336-K406 WeakPolarHBondContact O-CA 3.46Å; L336-V407 PolarHBondContact N-O 2.84Å; L336-V407 PolarHBondContact O-N 2.88Å; L336-M428 HydrophobicContact CD1-SD 3.77Å
337T92.9Very high90.6Very high21 Ų2147.5 Ų47.513%0.12924%0.238CC..EExtended strand (participates in β ladder)trans-119.3124.7-176.8-50.50000110.1P314 E315 P339 K406P314-T337 WeakPolarHBondContact CA-O 3.13Å; E315-T337 PolarHBondContact N-O 3.22Å; E315-T337 PolarHBondContact O-N 3.3Å; T337-P339 WeakPolarHBondContact O-CD 3.46Å; T337-K406 WeakPolarHBondContact OG1-CE 3.28Å
338N92.4Very high90.8Very high0 Ų042 Ų420%021%0.211CC..  trans-83.9119.5175.6-178.611.1000111V340 N342 T344 L374 A375 N405N338-V340 PolarHBondContact ND2-O 3.39Å; N338-V340 WeakPolarHBondContact OD1-CG2 3.49Å; N338-V340 PolarHBondContact OD1-N 3.44Å; N338-N342 PolarHBondContact ND2-O 3.34Å; N338-T344 PolarHBondContact ND2-OG1 3.1Å; N338-T344 VanDerWaalsContact ND2-OG1 3.16Å; N338-T344 PolarHBondContact OD1-OG1 2.88Å; N338-L374 HydrophobicContact CB-CB 3.73Å; N338-L374 HydrophobicContact CB-CD1 3.87Å; N338-L374 HydrophobicContact CB-CG 4.44Å; N338-A375 WeakPolarHBondContact CB-O 3.28Å; N338-A375 PolarHBondContact ND2-O 3.25Å; N338-N405 PolarHBondContact N-O 2.85Å; N338-N405 PolarHBondContact O-ND2 2.9Å
339P89.3Confident90.8Very high27 Ų2740 Ų4018%0.17521%0.205CC..  trans-81.9-16.5178.733.6-36.4000114.1V310 T337 K377V310-P339 WeakPolarHBondContact O-CB 3.29Å; T337-P339 WeakPolarHBondContact O-CD 3.46Å; P339-K377 WeakPolarHBondContact O-CD 3.48Å
340V87.9Confident90.6Very high38 Ų3839 Ų3923%0.2320%0.201CC..SBendtrans-96.6154.4-173.9-58.90000112.3N338 N342 T344 G376 K377N338-V340 PolarHBondContact ND2-O 3.39Å; N338-V340 WeakPolarHBondContact OD1-CG2 3.49Å; N338-V340 PolarHBondContact OD1-N 3.44Å; V340-N342 VanDerWaalsContact C-N 3.26Å; V340-N342 PolarHBondContact O-N 2.89Å; V340-T344 WeakPolarHBondContact CG2-OG1 3.14Å; V340-G376 CarbonylContact O-C 3.57Å; V340-G376 WeakPolarHBondContact O-CA 3.27Å; V340-K377 PolarHBondContact O-N 3.11Å
341E85.6Confident90.2Very high164 Ų16439.5 Ų39.577%0.76620%0.203SC*.SBendtrans-71.3-18.6-178.6-62.8174.9-177.900113.5G376E341-G376 VanDerWaalsContact O-CA 3.22Å; E341-G376 WeakPolarHBondContact O-CA 2.88Å
342N85.8Confident89.5Confident78 Ų7841.3 Ų41.342%0.41721%0.212SC..SBendtrans-88156.6179.1-67.6-39.6000111.5N338 V340 T344 G376N338-N342 PolarHBondContact ND2-O 3.34Å; V340-N342 VanDerWaalsContact C-N 3.26Å; V340-N342 PolarHBondContact O-N 2.89Å; N342-T344 PolarHBondContact O-N 2.86Å; N342-T344 PolarHBondContact O-OG1 3.45Å; N342-G376 WeakPolarHBondContact O-CA 3.34Å
343L87.3Confident88Confident80 Ų8050.9 Ų50.942%0.41926%0.256SS..  trans-57.8135166.7-68.5165.5000110.1I373 L374 F392L343-I373 HydrophobicContact CD2-CG2 4.2Å; L343-L374 WeakPolarHBondContact CA-O 3.27Å; L343-F392 HydrophobicContact CD2-CE1 4.49Å; L343-F392 HydrophobicContact CD2-CZ 4.13Å
344T88.8Confident86.4Confident6 Ų653.7 Ų53.74%0.03729%0.29CS..EExtended strand (participates in β ladder)trans-124.9128.9-179-59.90000110P314 N338 V340 N342 V346 L374 H430 D431P314-T344 HydrophobicContact CG-CG2 4.08Å; N338-T344 PolarHBondContact ND2-OG1 3.1Å; N338-T344 VanDerWaalsContact ND2-OG1 3.16Å; N338-T344 PolarHBondContact OD1-OG1 2.88Å; V340-T344 WeakPolarHBondContact CG2-OG1 3.14Å; N342-T344 PolarHBondContact O-N 2.86Å; N342-T344 PolarHBondContact O-OG1 3.45Å; T344-V346 HydrophobicContact CG2-CG2 3.97Å; T344-L374 PolarHBondContact N-O 3.23Å; T344-L374 VanDerWaalsContact N-O 3.13Å; T344-L374 PolarHBondContact O-N 3.12Å; T344-H430 HydrophobicContact CG2-CB 4.31Å; T344-D431 VanDerWaalsContact CA-OD1 3.23Å; T344-D431 WeakPolarHBondContact CA-OD1 3.37Å; T344-D431 VanDerWaalsContact CG2-OD1 3.22Å; T344-D431 WeakPolarHBondContact CG2-OD1 3.39Å
345H91.3Very high85.3Confident60 Ų6055.3 Ų55.328%0.27830%0.299SS..EExtended strand (participates in β ladder)trans-93.6122.8177.7-70.7-99.2000109.4E371 H430 D431 W453H345-E371 WeakPolarHBondContact CB-OE1 3.41Å; H345-E371 IonicContact CE1-OE1 2.75Å; H345-E371 IonicContact CG-OE1 3.8Å; H345-E371 VanDerWaalsContact CG-OE1 3.25Å; H345-E371 IonicContact ND1-OE1 2.94Å; H345-E371 PolarHBondContact ND1-OE1 3.09Å; H345-H430 VanDerWaalsContact O-CA 3.26Å; H345-H430 WeakPolarHBondContact O-CA 3.29Å; H345-D431 HydrophobicContact CB-CB 4.39Å; H345-D431 IonicContact CD2-OD2 3.17Å; H345-D431 PolarHBondContact N-OD1 2.98Å; H345-D431 PolarHBondContact O-N 2.91Å; H345-D431 VanDerWaalsContact O-N 3.13Å; H345-W453 HydrophobicContact CB-CH2 3.79Å; H345-W453 HydrophobicContact CB-CZ3 4.21Å
346V91.9Very high84Confident0 Ų058.6 Ų58.60%033%0.327CS..EExtended strand (participates in β ladder)trans-126.3130.4-178.4-173.50000110.8P314 L336 T344 L348 L372 L374 M428 K429 H430P314-V346 HydrophobicContact CG-CG2 4.18Å; L336-V346 HydrophobicContact CD2-CB 3.96Å; L336-V346 HydrophobicContact CD2-CG1 3.79Å; L336-V346 HydrophobicContact CD2-CG2 4.05Å; T344-V346 HydrophobicContact CG2-CG2 3.97Å; V346-L348 HydrophobicContact CG1-CD2 4.16Å; V346-L372 PolarHBondContact N-O 2.92Å; V346-L372 PolarHBondContact O-N 3.33Å; V346-L374 HydrophobicContact CG2-CD1 3.7Å; V346-L374 HydrophobicContact CG2-CG 4.22Å; V346-M428 HydrophobicContact CG1-CG 3.69Å; V346-M428 HydrophobicContact CG1-SD 4.34Å; V346-K429 CarbonylContact C-O 3.6Å; V346-K429 WeakPolarHBondContact CA-O 3.41Å; V346-H430 HydrophobicContact CG2-CB 3.93Å
347T92.3Very high82.9Confident28 Ų2859.6 Ų59.617%0.17233%0.332CS..EExtended strand (participates in β ladder)trans-119.5130.6172.5-43.60000108.9L349 K429T347-L349 HydrophobicContact CG2-CD2 4.03Å; T347-K429 PolarHBondContact N-O 2.94Å; T347-K429 PolarHBondContact O-N 3.49Å
348L91.7Very high81.9Confident5 Ų561 Ų613%0.02634%0.339CS..EExtended strand (participates in β ladder)trans-95.8132.8173-57.4-170.9000109V346 V367 I409 I411 F426 M428V346-L348 HydrophobicContact CG1-CD2 4.16Å; L348-V367 HydrophobicContact CB-CB 3.82Å; L348-V367 HydrophobicContact CB-CG1 4.26Å; L348-V367 HydrophobicContact CB-CG2 4.07Å; L348-V367 WeakPolarHBondContact O-CG2 3.25Å; L348-I409 HydrophobicContact CD1-CD1 3.47Å; L348-I409 VanDerWaalsContact CD1-CD1 3.47Å; L348-I411 HydrophobicContact CD1-CD1 3.9Å; L348-F426 HydrophobicContact CD1-CE2 4.33Å; L348-F426 HydrophobicContact CD2-CD2 4.06Å; L348-F426 HydrophobicContact CD2-CE2 3.7Å; L348-M428 HydrophobicContact CD2-CB 4.08Å; L348-M428 HydrophobicContact CD2-CG 3.84Å
349L90.1Very high80.8Confident75 Ų7566.5 Ų66.539%0.39337%0.367SS..EExtended strand (participates in β ladder)trans-124.8140.4-177.7-58.3172.3000109.2T347 K427 K429T347-L349 HydrophobicContact CG2-CD2 4.03Å; L349-K427 HydrophobicContact CB-CB 4.13Å; L349-K427 PolarHBondContact N-O 3.28Å; L349-K427 PolarHBondContact O-N 3.08Å; L349-K429 HydrophobicContact CD1-CB 4.38Å
350E86.6Confident80Confident89 Ų8968.5 Ų68.542%0.41638%0.376SS..PPolyproline II helixtrans-68.5153.6172.3-57.6-175.2175.500110.2V366 V367E350-V366 WeakPolarHBondContact OE1-CA 3.29Å; E350-V367 HydrophobicContact CG-CG2 3.74Å
351C82.4Confident79.6Confident24 Ų2468.1 Ų68.116%0.16238%0.375CS..PPolyproline II helixtrans-76.7137.7168.5-64.70000109.3D355 D358 H457C351-D355 VanDerWaalsContact CA-OD2 3.3Å; C351-D355 WeakPolarHBondContact CA-OD2 3.23Å; C351-D355 HydrophobicContact CB-CB 4.49Å; C351-D355 WeakPolarHBondContact CB-OD2 3.37Å; C351-D358 HydrophobicContact CB-CB 4.39Å; C351-H457 PolarHBondContact SG-NE2 3.11Å; C351-H457 VanDerWaalsContact SG-NE2 3.37Å
352E76.1Confident79.4Confident142 Ų14261 Ų6166%0.66434%0.343SS*.PPolyproline II helixtrans-73.2147.7-179.5-64.8178.2-170.200110.4G354 D355E352-G354 PolarHBondContact O-N 3.43Å; E352-D355 PolarHBondContact N-OD2 2.98Å; E352-D355 WeakPolarHBondContact O-CB 3.18Å; E352-D355 PolarHBondContact O-N 3.29Å
353E60.9Low79.3Confident203 Ų20357.3 Ų57.395%0.94932%0.324SS*.THydrogen-bonded Turntrans-61.2112.4175.8-72.1-174.5172.800110.2
354G60.4Low79.3Confident80 Ų8058.6 Ų58.683%0.82533%0.326SS*.THydrogen-bonded Turntrans100.38.5-176.200000115.1E352 A356E352-G354 PolarHBondContact O-N 3.43Å; G354-A356 PolarHBondContact O-N 2.81Å
355D70.4Confident79.2Confident36 Ų3658.9 Ų58.919%0.19333%0.327CS..  trans-54.1114.3170.5-93.8-30.7000110.5C351 E352 D357 D358 K427C351-D355 VanDerWaalsContact CA-OD2 3.3Å; C351-D355 WeakPolarHBondContact CA-OD2 3.23Å; C351-D355 HydrophobicContact CB-CB 4.49Å; C351-D355 WeakPolarHBondContact CB-OD2 3.37Å; E352-D355 PolarHBondContact N-OD2 2.98Å; E352-D355 WeakPolarHBondContact O-CB 3.18Å; E352-D355 PolarHBondContact O-N 3.29Å; D355-D357 PolarHBondContact O-N 3.07Å; D355-D358 HydrophobicContact CB-CB 4.08Å; D355-D358 PolarHBondContact O-N 2.95Å; D355-K427 VanDerWaalsContact CG-NZ 3.35Å; D355-K427 IonicContact OD1-NZ 2.71Å; D355-K427 PolarHBondContact OD1-NZ 3.07Å; D355-K427 VanDerWaalsContact OD1-NZ 3.17Å; D355-K427 VanDerWaalsContact OD2-CE 3.24Å; D355-K427 WeakPolarHBondContact OD2-CE 3.32Å; D355-K427 IonicContact OD2-NZ 2.65Å; D355-K427 PolarHBondContact OD2-NZ 2.91Å
356A66.8Low79.2Confident73 Ų7358.9 Ų58.960%0.60333%0.332SS*.THydrogen-bonded Turntrans-62.8-12178.500000113.4G354 I359G354-A356 PolarHBondContact O-N 2.81Å; A356-I359 WeakPolarHBondContact O-CG1 3.44Å
357D70.4Confident78.9Confident23 Ų2359.6 Ų59.612%0.12334%0.336CS..THydrogen-bonded Turntrans-94.3-7.1176.9-72.6-32.4000113.1L13 K19 R21 D355 I359 H457L13-D357 HydrophobicContact CD2-CB 3.82Å; K19-D357 WeakPolarHBondContact CD-OD1 3.42Å; K19-D357 WeakPolarHBondContact CE-OD1 3.38Å; K19-D357 IonicContact NZ-OD1 3.38Å; K19-D357 PolarHBondContact NZ-OD1 2.7Å; K19-D357 IonicContact NZ-OD2 2.63Å; R21-D357 PolarHBondContact NH2-O 3.11Å; D355-D357 PolarHBondContact O-N 3.07Å; D357-I359 PolarHBondContact O-N 2.81Å; D357-H457 PolarHBondContact O-CE1 3.13Å
358D72.1Confident78.6Confident51 Ų5158.7 Ų58.727%0.27333%0.331SS..  trans-98.958.9177.3-165.116.5000112.6C351 D355 S361 C425C351-D358 HydrophobicContact CB-CB 4.39Å; D355-D358 HydrophobicContact CB-CB 4.08Å; D355-D358 PolarHBondContact O-N 2.95Å; D358-S361 VanDerWaalsContact CG-CB 3.48Å; D358-S361 WeakPolarHBondContact OD1-CB 3.24Å; D358-S361 PolarHBondContact OD1-N 3.02Å; D358-S361 WeakPolarHBondContact OD2-CB 3.31Å; D358-C425 WeakPolarHBondContact OD1-CB 3.14Å; D358-C425 PolarHBondContact OD1-SG 3.27Å
359I68.6Low78Confident114 Ų11464.3 Ų64.359%0.58537%0.367SS*.SBendtrans-79.5-30-172.7-56.4171.4000111.6A356 D357A356-I359 WeakPolarHBondContact O-CG1 3.44Å; D357-I359 PolarHBondContact O-N 2.81Å
360N71.9Confident77.7Confident69 Ų6966 Ų6637%0.36937%0.371SS..SBendtrans-107.9-3.9-167.3-68.4-9.3000113.8T362 T423 E459N360-T362 PolarHBondContact O-N 2.74Å; N360-T423 WeakPolarHBondContact O-CB 3.46Å; N360-T423 PolarHBondContact O-OG1 3.39Å; N360-E459 VanDerWaalsContact CB-OE1 3.31Å; N360-E459 WeakPolarHBondContact CB-OE1 3.11Å; N360-E459 PolarHBondContact ND2-OE1 3.38Å
361S79.3Confident77.6Confident30 Ų3066.5 Ų66.521%0.2137%0.374CS..  trans-66.9131-177.2178.90000111.4D358 A363D358-S361 VanDerWaalsContact CG-CB 3.48Å; D358-S361 WeakPolarHBondContact OD1-CB 3.24Å; D358-S361 PolarHBondContact OD1-N 3.02Å; D358-S361 WeakPolarHBondContact OD2-CB 3.31Å; S361-A363 PolarHBondContact OG-O 2.88Å
362T83.2Confident77.9Confident14 Ų1465.9 Ų65.99%0.08637%0.369CS..  trans-115.7-0.117754.40000111.7N360 Q416 R417 E421 V422 T423N360-T362 PolarHBondContact O-N 2.74Å; T362-Q416 PolarHBondContact O-N 3Å; T362-R417 HydrophobicContact CG2-CG 4.46Å; T362-E421 PolarHBondContact OG1-O 3.28Å; T362-E421 VanDerWaalsContact OG1-O 3.11Å; T362-V422 WeakPolarHBondContact OG1-CA 3.45Å; T362-T423 WeakPolarHBondContact CG2-OG1 3.21Å; T362-T423 PolarHBondContact N-O 3.36Å; T362-T423 PolarHBondContact N-OG1 2.89Å; T362-T423 PolarHBondContact OG1-N 3.37Å; T362-T423 PolarHBondContact OG1-O 3.12Å; T362-T423 PolarHBondContact OG1-OG1 3.39Å
363A83.3Confident78.4Confident2 Ų262.3 Ų62.32%0.01735%0.354CS..EExtended strand (participates in β ladder)trans-143.3142.2-176.100000112.2S361 V413 T414 V422 T423 V424S361-A363 PolarHBondContact OG-O 2.88Å; A363-V413 HydrophobicContact CB-CG1 3.67Å; A363-T414 CarbonylContact C-O 3.56Å; A363-T414 VanDerWaalsContact CA-O 3.29Å; A363-T414 WeakPolarHBondContact CA-O 3.46Å; A363-T414 WeakPolarHBondContact CB-O 3.48Å; A363-V422 HydrophobicContact CB-CG1 3.69Å; A363-T423 PolarHBondContact N-O 2.64Å; A363-V424 HydrophobicContact CB-CG2 3.81Å
364K86.6Confident79.7Confident107 Ų10752.7 Ų52.747%0.46531%0.308SS..EExtended strand (participates in β ladder)trans-78.3131.9171.6-175173-178.2172.90109.6V413 T414K364-V413 WeakPolarHBondContact O-CA 3.38Å; K364-T414 PolarHBondContact N-O 3.2Å; K364-T414 PolarHBondContact O-N 2.85Å; K364-T414 PolarHBondContact O-OG1 3.01Å
365V87.8Confident81Confident11 Ų1149.2 Ų49.27%0.06727%0.272CS..EExtended strand (participates in β ladder)trans-110.8136.9176.6660000110.3V367 I411 K412 V413 V424 C425 F426V365-V367 HydrophobicContact CG1-CG1 4.42Å; V365-V367 HydrophobicContact CG2-CG1 3.95Å; V365-I411 HydrophobicContact CG2-CG2 3.18Å; V365-K412 WeakPolarHBondContact CA-O 3.47Å; V365-V413 HydrophobicContact CG2-CG2 4.4Å; V365-V424 HydrophobicContact CB-CG1 3.45Å; V365-V424 VanDerWaalsContact CB-CG1 3.45Å; V365-V424 HydrophobicContact CG1-CG1 3.81Å; V365-V424 HydrophobicContact CG2-CG1 3.68Å; V365-C425 WeakPolarHBondContact CG1-O 3.22Å; V365-F426 HydrophobicContact CG1-CB 4.37Å
366V89.6Confident81.7Confident61 Ų6148.2 Ų48.237%0.3727%0.271SS..EExtended strand (participates in β ladder)trans-113.1111.9169.5-179.10000107.4E350 K412E350-V366 WeakPolarHBondContact OE1-CA 3.29Å; V366-K412 HydrophobicContact CB-CB 4.19Å; V366-K412 PolarHBondContact N-O 3Å; V366-K412 PolarHBondContact O-N 2.94Å
367V87.6Confident82.5Confident14 Ų1449.2 Ų49.29%0.08526%0.261CS..  trans-95.6157.2-178.5-58.40000110.9L348 E350 V365 I411 F426L348-V367 HydrophobicContact CB-CB 3.82Å; L348-V367 HydrophobicContact CB-CG1 4.26Å; L348-V367 HydrophobicContact CB-CG2 4.07Å; L348-V367 WeakPolarHBondContact O-CG2 3.25Å; E350-V367 HydrophobicContact CG-CG2 3.74Å; V365-V367 HydrophobicContact CG1-CG1 4.42Å; V365-V367 HydrophobicContact CG2-CG1 3.95Å; V367-I411 HydrophobicContact CG1-CD1 4.42Å; V367-I411 HydrophobicContact CG1-CG2 4.5Å; V367-F426 HydrophobicContact CG1-CB 4.11Å; V367-F426 HydrophobicContact CG1-CG 4.44Å
368P85.4Confident82.9Confident10 Ų1052.4 Ų52.47%0.06528%0.278CS..  trans-65.5133.4178-15.429.1000111K370 I398P368-K370 VanDerWaalsContact C-N 3.28Å; P368-K370 PolarHBondContact O-N 3.17Å; P368-I398 HydrophobicContact CB-CD1 4.23Å; P368-I398 HydrophobicContact CB-CG1 4.36Å; P368-I398 HydrophobicContact CB-CG2 3.58Å; P368-I398 HydrophobicContact CG-CG2 3.66Å
369P79Confident82.9Confident122 Ų12253.2 Ų53.279%0.79229%0.292SS*.  trans-78.9-10.6-179.931.6-35.8000113.4
370K82.4Confident82.9Confident111 Ų11150.9 Ų50.948%0.48329%0.29SS..SBendtrans-87.1147.3-177.5-69.7-178.8-178.4170.20111.3P368 D395 I398P368-K370 VanDerWaalsContact C-N 3.28Å; P368-K370 PolarHBondContact O-N 3.17Å; K370-D395 IonicContact NZ-OD2 3.44Å; K370-D395 PolarHBondContact NZ-OD2 3.4Å; K370-I398 HydrophobicContact CD-CD1 4.06Å; K370-I398 HydrophobicContact CG-CD1 4.49Å
371E86Confident82.6Confident100 Ų10049 Ų4947%0.46728%0.284SS..PPolyproline II helixtrans-69.5128.7170.1-170.4177.7173.600110.2H345H345-E371 WeakPolarHBondContact CB-OE1 3.41Å; H345-E371 IonicContact CE1-OE1 2.75Å; H345-E371 IonicContact CG-OE1 3.8Å; H345-E371 VanDerWaalsContact CG-OE1 3.25Å; H345-E371 IonicContact ND1-OE1 2.94Å; H345-E371 PolarHBondContact ND1-OE1 3.09Å
372L87.4Confident81.5Confident10 Ų1054.1 Ų54.15%0.05230%0.304CS..EExtended strand (participates in β ladder)trans-99.4127.5179.3-59.3170.8000108.8V346 I398 I399 I409V346-L372 PolarHBondContact N-O 2.92Å; V346-L372 PolarHBondContact O-N 3.33Å; L372-I398 HydrophobicContact CD2-CG2 4.23Å; L372-I399 HydrophobicContact CD2-CD1 4.23Å; L372-I399 HydrophobicContact CD2-CG1 4.35Å; L372-I409 HydrophobicContact CD1-CD1 4.42Å; L372-I409 HydrophobicContact CD1-CG2 3.89Å
373I88.4Confident80.4Confident68 Ų6863 Ų6335%0.34934%0.338SS..EExtended strand (participates in β ladder)trans-97.6127.4174.7-54.1173.6000107.5L343 F392 R402L343-I373 HydrophobicContact CD2-CG2 4.2Å; I373-F392 HydrophobicContact CB-CD1 4.25Å; I373-F392 HydrophobicContact CB-CE1 4.04Å; I373-F392 HydrophobicContact CG2-CD1 4.33Å; I373-F392 HydrophobicContact CG2-CE1 3.63Å; I373-F392 HydrophobicContact CG2-CZ 4.45Å; I373-R402 PolarHBondContact O-NH2 3.05Å
374L87.1Confident79.3Confident0 Ų066.9 Ų66.90%036%0.358CS..EExtended strand (participates in β ladder)trans-103133.9173.6-59.5175.8000110.2P314 L336 N338 L343 T344 V346 V407P314-L374 HydrophobicContact CB-CD1 4.22Å; P314-L374 HydrophobicContact CG-CD1 4.44Å; L336-L374 HydrophobicContact CB-CD2 4.35Å; L336-L374 HydrophobicContact CD2-CD1 3.73Å; L336-L374 HydrophobicContact CD2-CD2 4Å; L336-L374 HydrophobicContact CD2-CG 4.2Å; L336-L374 HydrophobicContact CG-CD1 3.75Å; L336-L374 HydrophobicContact CG-CD2 4.18Å; N338-L374 HydrophobicContact CB-CB 3.73Å; N338-L374 HydrophobicContact CB-CD1 3.87Å; N338-L374 HydrophobicContact CB-CG 4.44Å; L343-L374 WeakPolarHBondContact CA-O 3.27Å; T344-L374 PolarHBondContact N-O 3.23Å; T344-L374 VanDerWaalsContact N-O 3.13Å; T344-L374 PolarHBondContact O-N 3.12Å; V346-L374 HydrophobicContact CG2-CD1 3.7Å; V346-L374 HydrophobicContact CG2-CG 4.22Å; L374-V407 HydrophobicContact CD2-CB 3.9Å; L374-V407 HydrophobicContact CD2-CG2 3.58Å
375A87.1Confident77.9Confident7 Ų771.4 Ų71.46%0.05838%0.381CS..PPolyproline II helixtrans-63.7147.8172.600000110.5N338 F392N338-A375 WeakPolarHBondContact CB-O 3.28Å; N338-A375 PolarHBondContact ND2-O 3.25Å; A375-F392 HydrophobicContact CB-CE2 4.43Å; A375-F392 HydrophobicContact CB-CZ 4.46Å
376G84.9Confident76.3Confident16 Ų1678.2 Ų78.217%0.16542%0.416CS..PPolyproline II helixtrans-59.9147.5169.300000111.7V340 E341 N342 D378V340-G376 CarbonylContact O-C 3.57Å; V340-G376 WeakPolarHBondContact O-CA 3.27Å; E341-G376 VanDerWaalsContact O-CA 3.22Å; E341-G376 WeakPolarHBondContact O-CA 2.88Å; N342-G376 WeakPolarHBondContact O-CA 3.34Å; G376-D378 PolarHBondContact O-N 3.42Å
377K83.7Confident74.7Confident93 Ų9377.7 Ų77.740%0.40442%0.418SS..  trans-67.9111.2170.4-174.8-179.4179.1-176.30109.3P339 V340 N405P339-K377 WeakPolarHBondContact O-CD 3.48Å; V340-K377 PolarHBondContact O-N 3.11Å; K377-N405 HydrophobicContact CB-CB 4.4Å
378D79.8Confident73.2Confident91 Ų9185.6 Ų85.649%0.48746%0.455SS..  trans-100.6112.3169.6-175.9-6.3000109.4G376 A380 A381G376-D378 PolarHBondContact O-N 3.42Å; D378-A380 VanDerWaalsContact C-N 3.26Å; D378-A380 PolarHBondContact O-N 3.27Å; D378-A380 WeakPolarHBondContact OD1-CA 3.41Å; D378-A380 WeakPolarHBondContact OD1-CB 3.31Å; D378-A380 PolarHBondContact OD1-N 3.02Å; D378-A381 HydrophobicContact CB-CB 3.73Å; D378-A381 PolarHBondContact OD1-N 3.36Å
379A71.2Confident71.9Confident68 Ų6890.3 Ų90.356%0.56249%0.485SS*.THydrogen-bonded Turntrans-71.4-20.6178.700000113
380A69.8Low71.2Confident64 Ų6490 Ų9053%0.52947%0.473SS..THydrogen-bonded Turntrans-84.2-33.8177.300000111.8D378 E382 Y383 D384D378-A380 VanDerWaalsContact C-N 3.26Å; D378-A380 PolarHBondContact O-N 3.27Å; D378-A380 WeakPolarHBondContact OD1-CA 3.41Å; D378-A380 WeakPolarHBondContact OD1-CB 3.31Å; D378-A380 PolarHBondContact OD1-N 3.02Å; A380-E382 PolarHBondContact O-N 3.45Å; A380-Y383 PolarHBondContact O-N 3Å; A380-D384 PolarHBondContact O-N 3.26Å
381A64.3Low70.4Confident31 Ų3192.4 Ų92.426%0.25649%0.491SS..THydrogen-bonded Turntrans-63.3-20.317900000114.3D378 Y383 D384 A387D378-A381 HydrophobicContact CB-CB 3.73Å; D378-A381 PolarHBondContact OD1-N 3.36Å; A381-Y383 PolarHBondContact O-N 3.22Å; A381-D384 PolarHBondContact O-N 3.43Å; A381-A387 HydrophobicContact CB-CB 4.4Å
382E56.3Low69.9Low136 Ų13690 Ų9064%0.63648%0.479SS*.THydrogen-bonded Turntrans-66-18.2172.2-70.9-173.1175.700112.9A380A380-E382 PolarHBondContact O-N 3.45Å
383Y60.5Low69.2Low201 Ų20199.4 Ų99.479%0.78852%0.523SS*.SBendtrans-110.7-6.2-179.8-61.7-85.4000113.5A380 A381A380-Y383 PolarHBondContact O-N 3Å; A381-Y383 PolarHBondContact O-N 3.22Å
384D59.9Low68.8Low83 Ų8399.3 Ų99.344%0.44452%0.523SS..  trans-112.695-177.9-163-6.2000110.1A380 A381 L386 A387A380-D384 PolarHBondContact O-N 3.26Å; A381-D384 PolarHBondContact O-N 3.43Å; D384-L386 PolarHBondContact O-N 3.09Å; D384-L386 VanDerWaalsContact O-N 3.12Å; D384-L386 WeakPolarHBondContact OD1-CB 3.37Å; D384-L386 PolarHBondContact OD1-N 3.45Å; D384-L386 VanDerWaalsContact OD1-N 3.16Å; D384-A387 PolarHBondContact O-N 2.85Å
385E57Low68.5Low202 Ų202101.4 Ų101.494%0.94453%0.534SS*.THydrogen-bonded Turntrans-65.6-7.3176.3-65.8-172160.800113
386L54Low68.3Low154 Ų154105.9 Ų105.981%0.80656%0.563SS**THydrogen-bonded Turntrans-104.22.9-178.5-63167.9000113.7D384 E388D384-L386 PolarHBondContact O-N 3.09Å; D384-L386 VanDerWaalsContact O-N 3.12Å; D384-L386 WeakPolarHBondContact OD1-CB 3.37Å; D384-L386 PolarHBondContact OD1-N 3.45Å; D384-L386 VanDerWaalsContact OD1-N 3.16Å; L386-E388 PolarHBondContact O-N 3.39Å
387A56.9Low68.1Low50 Ų50111.4 Ų111.441%0.41359%0.588SS.*PPolyproline II helixtrans-60.8121177.300000110.6A381 D384A381-A387 HydrophobicContact CB-CB 4.4Å; D384-A387 PolarHBondContact O-N 2.85Å
388E56.2Low68.1Low181 Ų181108 Ų10885%0.84658%0.575SS**PPolyproline II helixtrans-60.6127.4178.5-70.8-174166.100109.9L386 Q390L386-E388 PolarHBondContact O-N 3.39Å; E388-Q390 PolarHBondContact O-N 3.28Å
389P58.6Low68.5Low108 Ų108104.8 Ų104.870%0.70156%0.557SS**PPolyproline II helixtrans-61.3125.6173.323.9-29.6000108.3D391P389-D391 PolarHBondContact O-N 3.03Å
390Q63.6Low69.3Low116 Ų116103.5 Ų103.554%0.54255%0.547SS..PPolyproline II helixtrans-57.2124.1169.1-79.2173.60.700108.6E388 F392E388-Q390 PolarHBondContact O-N 3.28Å; Q390-F392 HydrophobicContact CB-CD2 4.06Å; Q390-F392 HydrophobicContact CB-CE2 3.38Å; Q390-F392 HydrophobicContact CB-CZ 4.01Å; Q390-F392 HydrophobicContact CG-CE2 4.46Å; Q390-F392 WeakPolarHBondContact O-CD2 3.35Å; Q390-F392 PolarHBondContact O-N 3.07Å; Q390-F392 VanDerWaalsContact O-N 3.16Å
391D65.9Low70.3Confident162 Ų162103.5 Ų103.587%0.86654%0.535SS*.  trans-70.6108.5178.5-75.8-33.1000110P389P389-D391 PolarHBondContact O-N 3.03Å
392F75.1Confident71.3Confident49 Ų49104.8 Ų104.822%0.21553%0.533CS..  trans-107.7138.4168.6-65.6-84.4000109.1L343 I373 A375 Q390 D394 R402L343-F392 HydrophobicContact CD2-CE1 4.49Å; L343-F392 HydrophobicContact CD2-CZ 4.13Å; I373-F392 HydrophobicContact CB-CD1 4.25Å; I373-F392 HydrophobicContact CB-CE1 4.04Å; I373-F392 HydrophobicContact CG2-CD1 4.33Å; I373-F392 HydrophobicContact CG2-CE1 3.63Å; I373-F392 HydrophobicContact CG2-CZ 4.45Å; A375-F392 HydrophobicContact CB-CE2 4.43Å; A375-F392 HydrophobicContact CB-CZ 4.46Å; Q390-F392 HydrophobicContact CB-CD2 4.06Å; Q390-F392 HydrophobicContact CB-CE2 3.38Å; Q390-F392 HydrophobicContact CB-CZ 4.01Å; Q390-F392 HydrophobicContact CG-CE2 4.46Å; Q390-F392 WeakPolarHBondContact O-CD2 3.35Å; Q390-F392 PolarHBondContact O-N 3.07Å; Q390-F392 VanDerWaalsContact O-N 3.16Å; F392-D394 VanDerWaalsContact CB-OD1 3.31Å; F392-D394 WeakPolarHBondContact CB-OD1 3.29Å; F392-D394 PolarHBondContact O-N 3.41Å; F392-R402 VanDerWaalsContact CD2-NE 3.29Å; F392-R402 VanDerWaalsContact CZ-NH2 3.31Å
393Q74.1Confident72.7Confident208 Ų208106 Ų10697%0.97254%0.536SS*.  trans-77.781.7171.4-70.9-176.11.900109.2
394D79.8Confident73.8Confident66 Ų6699.5 Ų99.535%0.35352%0.524SS..  trans-85138.5-176.8-70.6-16.3000111.3F392 I399F392-D394 VanDerWaalsContact CB-OD1 3.31Å; F392-D394 WeakPolarHBondContact CB-OD1 3.29Å; F392-D394 PolarHBondContact O-N 3.41Å; D394-I399 HydrophobicContact CB-CB 4.19Å; D394-I399 HydrophobicContact CB-CD1 3.72Å; D394-I399 HydrophobicContact CB-CG2 4.22Å; D394-I399 VanDerWaalsContact CG-CD1 3.45Å; D394-I399 VanDerWaalsContact OD1-CD1 3.22Å; D394-I399 WeakPolarHBondContact OD1-CD1 3.41Å
395D80.8Confident75.1Confident44 Ų4496.6 Ų96.624%0.23551%0.509CS..  trans-87.5115.2173.5-169.7-25000108.9K370 D397 I398 I399K370-D395 IonicContact NZ-OD2 3.44Å; K370-D395 PolarHBondContact NZ-OD2 3.4Å; D395-D397 PolarHBondContact O-N 3.01Å; D395-D397 VanDerWaalsContact O-N 3.15Å; D395-D397 PolarHBondContact OD1-N 3.01Å; D395-I398 HydrophobicContact CB-CB 4.3Å; D395-I398 HydrophobicContact CB-CD1 4.13Å; D395-I398 HydrophobicContact CB-CG1 4.37Å; D395-I398 PolarHBondContact O-N 3.25Å; D395-I399 PolarHBondContact O-N 3.04Å
396P81.5Confident76.7Confident100 Ų10090.3 Ų90.365%0.64948%0.478SS*.THydrogen-bonded Turntrans-64.8-19.9-173.227.3-35.6000113.3I398P396-I398 VanDerWaalsContact C-N 3.33Å
397D81.3Confident78.5Confident132 Ų13283.2 Ų83.271%0.70644%0.441SS*.THydrogen-bonded Turntrans-78.3-20.7177-70-23.7000112.4D395D395-D397 PolarHBondContact O-N 3.01Å; D395-D397 VanDerWaalsContact O-N 3.15Å; D395-D397 PolarHBondContact OD1-N 3.01Å
398I84.2Confident80.2Confident23 Ų2380.8 Ų80.812%0.11842%0.421CS..THydrogen-bonded Turntrans-105.5-43.6-177.7-62.5171000110.6P368 K370 L372 D395 P396 I409 F410P368-I398 HydrophobicContact CB-CD1 4.23Å; P368-I398 HydrophobicContact CB-CG1 4.36Å; P368-I398 HydrophobicContact CB-CG2 3.58Å; P368-I398 HydrophobicContact CG-CG2 3.66Å; K370-I398 HydrophobicContact CD-CD1 4.06Å; K370-I398 HydrophobicContact CG-CD1 4.49Å; L372-I398 HydrophobicContact CD2-CG2 4.23Å; D395-I398 HydrophobicContact CB-CB 4.3Å; D395-I398 HydrophobicContact CB-CD1 4.13Å; D395-I398 HydrophobicContact CB-CG1 4.37Å; D395-I398 PolarHBondContact O-N 3.25Å; P396-I398 VanDerWaalsContact C-N 3.33Å; I398-I409 WeakPolarHBondContact O-CA 3.39Å; I398-F410 PolarHBondContact O-N 3.07Å
399I88.6Confident82Confident23 Ų2372.4 Ų72.412%0.11838%0.382CS..EExtended strand (participates in β ladder)trans-105.2115.6-173.1-63.1174.4000109.2L372 D394 D395 V407 G408L372-I399 HydrophobicContact CD2-CD1 4.23Å; L372-I399 HydrophobicContact CD2-CG1 4.35Å; D394-I399 HydrophobicContact CB-CB 4.19Å; D394-I399 HydrophobicContact CB-CD1 3.72Å; D394-I399 HydrophobicContact CB-CG2 4.22Å; D394-I399 VanDerWaalsContact CG-CD1 3.45Å; D394-I399 VanDerWaalsContact OD1-CD1 3.22Å; D394-I399 WeakPolarHBondContact OD1-CD1 3.41Å; D395-I399 PolarHBondContact O-N 3.04Å; I399-V407 HydrophobicContact CG1-CG1 4.27Å; I399-V407 HydrophobicContact CG2-CG1 3.92Å; I399-G408 WeakPolarHBondContact CA-O 3.37Å
400A88.1Confident83.6Confident41 Ų4170.4 Ų70.434%0.33936%0.362SS..EExtended strand (participates in β ladder)trans-78.7-43179.600000112.4L333 G408 F410L333-A400 HydrophobicContact CD1-CB 3.48Å; L333-A400 VanDerWaalsContact CD1-CB 3.48Å; A400-G408 PolarHBondContact N-O 3.48Å; A400-F410 HydrophobicContact CB-CD2 4Å; A400-F410 HydrophobicContact CB-CE1 4.26Å; A400-F410 HydrophobicContact CB-CE2 3.33Å; A400-F410 HydrophobicContact CB-CZ 3.48Å; A400-F410 VanDerWaalsContact CB-CZ 3.48Å
401F89.3Confident84.9Confident64 Ų6465 Ų6528%0.28134%0.337SS..EExtended strand (participates in β ladder)trans-161.8157.5179.270-89000110.5M319 L333 T335 K403 G408M319-F401 HydrophobicContact CE-CE1 3.73Å; M319-F401 HydrophobicContact CE-CZ 3.55Å; L333-F401 HydrophobicContact CD2-CE1 4.35Å; T335-F401 HydrophobicContact CG2-CE1 4.48Å; T335-F401 HydrophobicContact CG2-CZ 3.9Å; F401-K403 HydrophobicContact CD2-CB 4.3Å; F401-K403 HydrophobicContact CE2-CB 4.48Å; F401-G408 PolarHBondContact O-N 3.41Å
402R86.8Confident86.2Confident58 Ų5861.2 Ų61.222%0.21931%0.313CS..EExtended strand (participates in β ladder)trans-127.9129.9171.4-170.9169.1-132.1-7510.9109I373 F392 V407I373-R402 PolarHBondContact O-NH2 3.05Å; F392-R402 VanDerWaalsContact CD2-NE 3.29Å; F392-R402 VanDerWaalsContact CZ-NH2 3.31Å; R402-V407 HydrophobicContact CG-CG2 4.08Å
403K84.3Confident87Confident160 Ų16059.1 Ų59.170%0.69630%0.304SS*.EExtended strand (participates in β ladder)trans-144.5114.9178.8-172172.8-178.4173.40109.6F401 N405 K406F401-K403 HydrophobicContact CD2-CB 4.3Å; F401-K403 HydrophobicContact CE2-CB 4.48Å; K403-N405 PolarHBondContact O-N 2.91Å; K403-K406 PolarHBondContact N-O 3.45Å; K403-K406 WeakPolarHBondContact O-CB 3.3Å; K403-K406 PolarHBondContact O-N 2.89Å
404A84.3Confident87.8Confident65 Ų6550.7 Ų50.754%0.53727%0.267SS..THydrogen-bonded Turntrans50.6-123.8-174.600000111.4K406A404-K406 VanDerWaalsContact C-N 3.28Å; A404-K406 PolarHBondContact O-N 2.71Å
405N87.4Confident88.3Confident23 Ų2347.7 Ų47.712%0.12325%0.251CS..THydrogen-bonded Turntrans-86.915.3178.166.2-33.7000114.2N338 K377 K403N338-N405 PolarHBondContact N-O 2.85Å; N338-N405 PolarHBondContact O-ND2 2.9Å; K377-N405 HydrophobicContact CB-CB 4.4Å; K403-N405 PolarHBondContact O-N 2.91Å
406K89.8Confident88.6Confident70 Ų7051 Ų5130%0.30427%0.265SS..EExtended strand (participates in β ladder)trans-121.3136.9-176.7-174.5-179.8-69173.20111.6T335 L336 T337 K403 A404T335-K406 HydrophobicContact CG2-CD 4.17Å; L336-K406 WeakPolarHBondContact O-CA 3.46Å; T337-K406 WeakPolarHBondContact OG1-CE 3.28Å; K403-K406 PolarHBondContact N-O 3.45Å; K403-K406 WeakPolarHBondContact O-CB 3.3Å; K403-K406 PolarHBondContact O-N 2.89Å; A404-K406 VanDerWaalsContact C-N 3.28Å; A404-K406 PolarHBondContact O-N 2.71Å
407V91.7Very high88.8Confident4 Ų453.3 Ų53.32%0.02426%0.261CS..EExtended strand (participates in β ladder)trans-123.1132175.4178.70000109.1T335 L336 L374 I399 R402 I409T335-V407 CarbonylContact C-O 3.58Å; T335-V407 WeakPolarHBondContact CA-O 3.23Å; L336-V407 PolarHBondContact N-O 2.84Å; L336-V407 PolarHBondContact O-N 2.88Å; L374-V407 HydrophobicContact CD2-CB 3.9Å; L374-V407 HydrophobicContact CD2-CG2 3.58Å; I399-V407 HydrophobicContact CG1-CG1 4.27Å; I399-V407 HydrophobicContact CG2-CG1 3.92Å; R402-V407 HydrophobicContact CG-CG2 4.08Å; V407-I409 HydrophobicContact CG1-CG2 3.87Å
408G92.8Very high88.5Confident0 Ų053.7 Ų53.70%026%0.258CS..EExtended strand (participates in β ladder)trans-89.4124.5168.600000110.2L334 I399 A400 F401L334-G408 CarbonylContact O-C 3.52Å; L334-G408 VanDerWaalsContact O-CA 3.29Å; L334-G408 WeakPolarHBondContact O-CA 3.3Å; I399-G408 WeakPolarHBondContact CA-O 3.37Å; A400-G408 PolarHBondContact N-O 3.48Å; F401-G408 PolarHBondContact O-N 3.41Å
409I93.6Very high88.3Confident5 Ų560.9 Ų60.93%0.02629%0.292CS..EExtended strand (participates in β ladder)trans-120.4142.1-179.363173.7000111.2L334 L348 L372 I398 V407 I411L334-I409 HydrophobicContact CB-CD1 4.45Å; L334-I409 HydrophobicContact CB-CG1 3.91Å; L334-I409 PolarHBondContact N-O 3.07Å; L334-I409 PolarHBondContact O-N 3.5Å; L348-I409 HydrophobicContact CD1-CD1 3.47Å; L348-I409 VanDerWaalsContact CD1-CD1 3.47Å; L372-I409 HydrophobicContact CD1-CD1 4.42Å; L372-I409 HydrophobicContact CD1-CG2 3.89Å; I398-I409 WeakPolarHBondContact O-CA 3.39Å; V407-I409 HydrophobicContact CG1-CG2 3.87Å; I409-I411 HydrophobicContact CD1-CD1 4.11Å; I409-I411 HydrophobicContact CD1-CG1 4.28Å; I409-I411 HydrophobicContact CG1-CG1 4.44Å
410F92.3Very high88Confident65 Ų6562 Ų6229%0.28531%0.308SS..EExtended strand (participates in β ladder)trans-89.7131.2170.6-68.4-64.9000110.7L333 I398 A400L333-F410 HydrophobicContact CB-CD1 4.36Å; L333-F410 HydrophobicContact CB-CE1 4.19Å; L333-F410 HydrophobicContact CD1-CD1 4.11Å; L333-F410 HydrophobicContact CD1-CE1 3.92Å; L333-F410 HydrophobicContact CD1-CZ 4.33Å; L333-F410 HydrophobicContact CG-CE1 4.49Å; I398-F410 PolarHBondContact O-N 3.07Å; A400-F410 HydrophobicContact CB-CD2 4Å; A400-F410 HydrophobicContact CB-CE1 4.26Å; A400-F410 HydrophobicContact CB-CE2 3.33Å; A400-F410 HydrophobicContact CB-CZ 3.48Å; A400-F410 VanDerWaalsContact CB-CZ 3.48Å
411I92.2Very high88.1Confident3 Ų365.9 Ų65.92%0.01532%0.319CS..EExtended strand (participates in β ladder)trans-122.7137.8171-58.7-163.6000108.6Q331 V332 L334 L348 V365 V367 I409 V413Q331-I411 WeakPolarHBondContact CA-O 3.33Å; V332-I411 PolarHBondContact N-O 2.72Å; V332-I411 PolarHBondContact O-N 3.07Å; L334-I411 HydrophobicContact CD1-CD1 3.41Å; L334-I411 VanDerWaalsContact CD1-CD1 3.41Å; L334-I411 HydrophobicContact CD1-CG1 4.04Å; L334-I411 HydrophobicContact CG-CD1 4.36Å; L348-I411 HydrophobicContact CD1-CD1 3.9Å; V365-I411 HydrophobicContact CG2-CG2 3.18Å; V367-I411 HydrophobicContact CG1-CD1 4.42Å; V367-I411 HydrophobicContact CG1-CG2 4.5Å; I409-I411 HydrophobicContact CD1-CD1 4.11Å; I409-I411 HydrophobicContact CD1-CG1 4.28Å; I409-I411 HydrophobicContact CG1-CG1 4.44Å; I411-V413 HydrophobicContact CG2-CG2 4.37Å
412K92.2Very high88.1Confident83 Ų8363 Ų6336%0.36131%0.307SS..EExtended strand (participates in β ladder)trans-94127.4178.7-69.8156.7162.4-117.80109.2E329 Q331 V365 V366E329-K412 HydrophobicContact CG-CB 4.07Å; E329-K412 HydrophobicContact CG-CG 4.37Å; E329-K412 WeakPolarHBondContact OE1-CD 3.45Å; E329-K412 WeakPolarHBondContact OE1-CE 3.18Å; E329-K412 WeakPolarHBondContact OE1-CG 3.25Å; E329-K412 IonicContact OE1-NZ 2.79Å; E329-K412 PolarHBondContact OE1-NZ 3.38Å; Q331-K412 HydrophobicContact CG-CG 4.1Å; V365-K412 WeakPolarHBondContact CA-O 3.47Å; V366-K412 HydrophobicContact CB-CB 4.19Å; V366-K412 PolarHBondContact N-O 3Å; V366-K412 PolarHBondContact O-N 2.94Å
413V92.1Very high88.3Confident4 Ų461 Ų612%0.02430%0.301CS..EExtended strand (participates in β ladder)trans-125.1135.3-177.3-179.40000109.6S330 V332 A363 K364 V365 I411 V422 V424 L462S330-V413 PolarHBondContact N-O 2.87Å; S330-V413 PolarHBondContact O-N 3.45Å; V332-V413 HydrophobicContact CG2-CB 4.35Å; V332-V413 HydrophobicContact CG2-CG2 3.91Å; A363-V413 HydrophobicContact CB-CG1 3.67Å; K364-V413 WeakPolarHBondContact O-CA 3.38Å; V365-V413 HydrophobicContact CG2-CG2 4.4Å; I411-V413 HydrophobicContact CG2-CG2 4.37Å; V413-V422 HydrophobicContact CG1-CG1 4.32Å; V413-V424 HydrophobicContact CG1-CG2 3.56Å; V413-V424 HydrophobicContact CG2-CG2 4.14Å; V413-L462 HydrophobicContact CB-CD1 4.35Å; V413-L462 HydrophobicContact CG1-CD1 3.9Å; V413-L462 HydrophobicContact CG2-CD1 4.07Å
414T90.9Very high88.6Confident32 Ų3253.4 Ų53.420%0.19627%0.268CS..EExtended strand (participates in β ladder)trans-126.1101.7-179.5-4.90000108.9E329 A363 K364 Q416E329-T414 HydrophobicContact CB-CG2 4.26Å; A363-T414 CarbonylContact C-O 3.56Å; A363-T414 VanDerWaalsContact CA-O 3.29Å; A363-T414 WeakPolarHBondContact CA-O 3.46Å; A363-T414 WeakPolarHBondContact CB-O 3.48Å; K364-T414 PolarHBondContact N-O 3.2Å; K364-T414 PolarHBondContact O-N 2.85Å; K364-T414 PolarHBondContact O-OG1 3.01Å; T414-Q416 PolarHBondContact O-N 3.33Å
415P90.7Very high89Confident2 Ų250.4 Ų50.41%0.01324%0.243CC..EExtended strand (participates in β ladder)trans-63.4130.7176.9-20.732.8000111.9L324 M327 K328 V422 L465L324-P415 HydrophobicContact CB-CG 4.33Å; M327-P415 PolarHBondContact N-O 3.44Å; K328-P415 WeakPolarHBondContact O-CD 3.42Å; P415-V422 HydrophobicContact CB-CG1 4.5Å; P415-V422 HydrophobicContact CB-CG2 4.19Å; P415-V422 HydrophobicContact CG-CG1 4.26Å; P415-V422 HydrophobicContact CG-CG2 4.18Å; P415-L465 HydrophobicContact CB-CD1 3.42Å; P415-L465 VanDerWaalsContact CB-CD1 3.42Å; P415-L465 HydrophobicContact CG-CD1 4Å
416Q87.4Confident89.2Confident113 Ų11349.3 Ų49.353%0.52824%0.238SC..  trans-104.6-9-177.2-65.7-174.6-21.500113.7Y326 T362 T414Y326-Q416 WeakPolarHBondContact CE2-O 3.39Å; T362-Q416 PolarHBondContact O-N 3Å; T414-Q416 PolarHBondContact O-N 3.33Å
417R84.1Confident89.3Confident150 Ų15048 Ų4857%0.56623%0.232SC*.  trans-108.2140.4176.7-62.6-168.3-177.1178.24.4110.8Y326 T362 L465Y326-R417 VanDerWaalsContact CD2-C 3.46Å; Y326-R417 WeakPolarHBondContact CD2-O 3.38Å; T362-R417 HydrophobicContact CG2-CG 4.46Å; R417-L465 WeakPolarHBondContact O-CD1 3.29Å
418E75.9Confident89.4Confident139 Ų13947.9 Ų47.965%0.6523%0.231SC*.SBendtrans-70.4-32.8-177-68.1-178.5169.400112.6Y326Y326-E418 HydrophobicContact CD1-CG 4.15Å; Y326-E418 HydrophobicContact CD2-CB 4.33Å; Y326-E418 HydrophobicContact CD2-CG 3.84Å; Y326-E418 HydrophobicContact CE1-CG 3.87Å; Y326-E418 HydrophobicContact CE2-CB 4.35Å; Y326-E418 HydrophobicContact CE2-CG 3.52Å; Y326-E418 HydrophobicContact CG-CG 4.13Å
419E79.6Confident89.5Confident175 Ų17551.2 Ų51.282%0.81825%0.245SC*.SBendtrans-134.9148.1-179.6-62.8-176.1171.400111.1
420G83.7Confident89.5Confident45 Ų4551.1 Ų51.146%0.46425%0.245SC..SBendtrans120.3-169.3172.400000114.8L465G420-L465 PolarHBondContact O-N 3.28Å
421E88.4Confident89.4Confident124 Ų12448.6 Ų48.658%0.57923%0.234SC*.EExtended strand (participates in β ladder)trans-82.8135.9174.9-67.7-166.1156.800111.3T362 G463T362-E421 PolarHBondContact OG1-O 3.28Å; T362-E421 VanDerWaalsContact OG1-O 3.11Å; E421-G463 WeakPolarHBondContact CA-O 3.1Å
422V89.8Confident89.3Confident3 Ų349 Ų492%0.01824%0.236CC..EExtended strand (participates in β ladder)trans-85.5118.8176.6-174.60000109.2L324 T362 A363 V413 P415 L462 G463 L465L324-V422 HydrophobicContact CB-CG2 4.38Å; L324-V422 HydrophobicContact CD1-CB 3.75Å; L324-V422 HydrophobicContact CD1-CG1 4.04Å; L324-V422 HydrophobicContact CD1-CG2 3.81Å; T362-V422 WeakPolarHBondContact OG1-CA 3.45Å; A363-V422 HydrophobicContact CB-CG1 3.69Å; V413-V422 HydrophobicContact CG1-CG1 4.32Å; P415-V422 HydrophobicContact CB-CG1 4.5Å; P415-V422 HydrophobicContact CB-CG2 4.19Å; P415-V422 HydrophobicContact CG-CG1 4.26Å; P415-V422 HydrophobicContact CG-CG2 4.18Å; V422-L462 HydrophobicContact CB-CB 4.31Å; V422-L462 HydrophobicContact CG1-CB 4.44Å; V422-L462 HydrophobicContact CG1-CD1 4.13Å; V422-L462 PolarHBondContact O-N 3.08Å; V422-G463 PolarHBondContact N-O 3.21Å; V422-L465 HydrophobicContact CG2-CB 4.12Å; V422-L465 HydrophobicContact CG2-CD1 3.95Å; V422-L465 HydrophobicContact CG2-CG 4.41Å
423T91.1Very high89Confident15 Ų1548.7 Ų48.79%0.09224%0.235CC..EExtended strand (participates in β ladder)trans-127.9136-177.343.20000108.7N360 T362 A363 L460N360-T423 WeakPolarHBondContact O-CB 3.46Å; N360-T423 PolarHBondContact O-OG1 3.39Å; T362-T423 WeakPolarHBondContact CG2-OG1 3.21Å; T362-T423 PolarHBondContact N-O 3.36Å; T362-T423 PolarHBondContact N-OG1 2.89Å; T362-T423 PolarHBondContact OG1-N 3.37Å; T362-T423 PolarHBondContact OG1-O 3.12Å; T362-T423 PolarHBondContact OG1-OG1 3.39Å; A363-T423 PolarHBondContact N-O 2.64Å; T423-L460 CarbonylContact C-O 3.58Å; T423-L460 VanDerWaalsContact CA-O 3.28Å; T423-L460 WeakPolarHBondContact CA-O 3.23Å
424V91.4Very high88.2Confident1 Ų150.1 Ų50.11%0.00624%0.242CC..EExtended strand (participates in β ladder)trans-131.6137.9-174.6170.30000109.7A363 V365 V413 E459 L460 L462A363-V424 HydrophobicContact CB-CG2 3.81Å; V365-V424 HydrophobicContact CB-CG1 3.45Å; V365-V424 VanDerWaalsContact CB-CG1 3.45Å; V365-V424 HydrophobicContact CG1-CG1 3.81Å; V365-V424 HydrophobicContact CG2-CG1 3.68Å; V413-V424 HydrophobicContact CG1-CG2 3.56Å; V413-V424 HydrophobicContact CG2-CG2 4.14Å; V424-E459 CarbonylContact O-C 3.56Å; V424-E459 WeakPolarHBondContact O-CA 3.19Å; V424-L460 HydrophobicContact CB-CB 4.46Å; V424-L460 PolarHBondContact N-O 2.98Å; V424-L460 PolarHBondContact O-N 2.89Å; V424-L462 HydrophobicContact CG2-CD1 3.94Å
425C91.2Very high87.3Confident2 Ų254.2 Ų54.21%0.01426%0.262CS..EExtended strand (participates in β ladder)trans-117.9139.2175.2-65.90000110.7D358 V365 H457 V458D358-C425 WeakPolarHBondContact OD1-CB 3.14Å; D358-C425 PolarHBondContact OD1-SG 3.27Å; V365-C425 WeakPolarHBondContact CG1-O 3.22Å; C425-H457 VanDerWaalsContact CB-CE1 3.5Å; C425-H457 WeakPolarHBondContact CB-CE1 3.4Å; C425-V458 WeakPolarHBondContact CA-O 3.4Å
426F92.3Very high85.7Confident1 Ų156 Ų560%0.00428%0.277CS..EExtended strand (participates in β ladder)trans-150.4162168.766.1-82.9000110.4V316 L348 V365 V367 M428 V458 L460V316-F426 HydrophobicContact CG1-CZ 4.33Å; V316-F426 HydrophobicContact CG2-CZ 4.35Å; L348-F426 HydrophobicContact CD1-CE2 4.33Å; L348-F426 HydrophobicContact CD2-CD2 4.06Å; L348-F426 HydrophobicContact CD2-CE2 3.7Å; V365-F426 HydrophobicContact CG1-CB 4.37Å; V367-F426 HydrophobicContact CG1-CB 4.11Å; V367-F426 HydrophobicContact CG1-CG 4.44Å; F426-M428 HydrophobicContact CE2-CB 4.23Å; F426-V458 HydrophobicContact CE1-CB 4.04Å; F426-V458 HydrophobicContact CE1-CG1 4.03Å; F426-V458 HydrophobicContact CE2-CB 4.19Å; F426-V458 HydrophobicContact CE2-CG2 4.39Å; F426-V458 HydrophobicContact CZ-CB 3.87Å; F426-V458 HydrophobicContact CZ-CG1 3.92Å; F426-V458 HydrophobicContact CZ-CG2 4.39Å; F426-V458 PolarHBondContact N-O 3.21Å; F426-V458 PolarHBondContact O-N 3.04Å; F426-L460 HydrophobicContact CD1-CD1 4.3Å; F426-L460 HydrophobicContact CE1-CD1 3.56Å; F426-L460 HydrophobicContact CE1-CG 3.87Å
427K92.4Very high84.1Confident43 Ų4353.7 Ų53.719%0.18728%0.278CS..EExtended strand (participates in β ladder)trans-98.9124.9176.9-68170.7-170.41660109.1L349 D355 T455 Q456L349-K427 HydrophobicContact CB-CB 4.13Å; L349-K427 PolarHBondContact N-O 3.28Å; L349-K427 PolarHBondContact O-N 3.08Å; D355-K427 VanDerWaalsContact CG-NZ 3.35Å; D355-K427 IonicContact OD1-NZ 2.71Å; D355-K427 PolarHBondContact OD1-NZ 3.07Å; D355-K427 VanDerWaalsContact OD1-NZ 3.17Å; D355-K427 VanDerWaalsContact OD2-CE 3.24Å; D355-K427 WeakPolarHBondContact OD2-CE 3.32Å; D355-K427 IonicContact OD2-NZ 2.65Å; D355-K427 PolarHBondContact OD2-NZ 2.91Å; K427-T455 HydrophobicContact CB-CG2 3.89Å; K427-T455 HydrophobicContact CG-CG2 4.37Å; K427-Q456 CarbonylContact C-O 3.55Å; K427-Q456 WeakPolarHBondContact CA-O 3.49Å
428M94.1Very high82.2Confident0 Ų051.9 Ų51.90%029%0.285CS..EExtended strand (participates in β ladder)trans-100.9113.5173.1-176.3-176.775.300108.6Y12 I313 P314 V316 L336 V346 L348 F426 T455 Q456 V458Y12-M428 HydrophobicContact CE1-CE 4.06Å; I313-M428 HydrophobicContact CG2-CE 3.77Å; P314-M428 HydrophobicContact CB-CE 4.17Å; P314-M428 HydrophobicContact CB-SD 4.22Å; P314-M428 WeakPolarHBondContact O-CE 3.35Å; V316-M428 HydrophobicContact CG2-SD 3.84Å; L336-M428 HydrophobicContact CD1-SD 3.77Å; V346-M428 HydrophobicContact CG1-CG 3.69Å; V346-M428 HydrophobicContact CG1-SD 4.34Å; L348-M428 HydrophobicContact CD2-CB 4.08Å; L348-M428 HydrophobicContact CD2-CG 3.84Å; F426-M428 HydrophobicContact CE2-CB 4.23Å; M428-T455 CarbonylContact O-C 3.57Å; M428-T455 WeakPolarHBondContact O-CA 3.01Å; M428-Q456 PolarHBondContact N-O 3.06Å; M428-Q456 PolarHBondContact O-N 3.14Å; M428-Q456 PolarHBondContact O-OE1 3.14Å; M428-Q456 VanDerWaalsContact O-OE1 3.12Å; M428-V458 HydrophobicContact CB-CG2 4.06Å
429K93.9Very high80.8Confident71 Ų7152.6 Ų52.631%0.30929%0.292SS..EExtended strand (participates in β ladder)trans-99126.8174.2-174.1-179.2178.4-1730108.9V346 T347 L349 W453 L454V346-K429 CarbonylContact C-O 3.6Å; V346-K429 WeakPolarHBondContact CA-O 3.41Å; T347-K429 PolarHBondContact N-O 2.94Å; T347-K429 PolarHBondContact O-N 3.49Å; L349-K429 HydrophobicContact CD1-CB 4.38Å; K429-W453 HydrophobicContact CD-CE3 4.23Å; K429-W453 HydrophobicContact CG-CE3 3.92Å; K429-L454 CarbonylContact C-O 3.24Å; K429-L454 VanDerWaalsContact CA-O 3.27Å; K429-L454 WeakPolarHBondContact CA-O 3.4Å
430H93.1Very high78.9Confident2 Ų253.2 Ų53.21%0.00929%0.287CS..EExtended strand (participates in β ladder)trans-137.1155.8176.770.5-86.6000112P314 T344 H345 V346 L454 Q456P314-H430 HydrophobicContact CG-CB 4.15Å; T344-H430 HydrophobicContact CG2-CB 4.31Å; H345-H430 VanDerWaalsContact O-CA 3.26Å; H345-H430 WeakPolarHBondContact O-CA 3.29Å; V346-H430 HydrophobicContact CG2-CB 3.93Å; H430-L454 PolarHBondContact N-O 3.03Å; H430-L454 PolarHBondContact O-N 3.21Å; H430-Q456 PolarHBondContact CE1-NE2 3.21Å; H430-Q456 PolarHBondContact CE1-OE1 3.22Å; H430-Q456 PolarHBondContact ND1-OE1 3.36Å
431D91.7Very high76.8Confident13 Ų1357.3 Ų57.37%0.0731%0.305CS..EExtended strand (participates in β ladder)trans-82.9136.5174.478.2-39.9000111.4T344 H345 V451 W453T344-D431 VanDerWaalsContact CA-OD1 3.23Å; T344-D431 WeakPolarHBondContact CA-OD1 3.37Å; T344-D431 VanDerWaalsContact CG2-OD1 3.22Å; T344-D431 WeakPolarHBondContact CG2-OD1 3.39Å; H345-D431 HydrophobicContact CB-CB 4.39Å; H345-D431 IonicContact CD2-OD2 3.17Å; H345-D431 PolarHBondContact N-OD1 2.98Å; H345-D431 PolarHBondContact O-N 2.91Å; H345-D431 VanDerWaalsContact O-N 3.13Å; D431-V451 HydrophobicContact CB-CG1 3.6Å; D431-W453 HydrophobicContact CB-CD2 4.36Å; D431-W453 HydrophobicContact CB-CE3 4.11Å; D431-W453 HydrophobicContact CB-CH2 4.2Å; D431-W453 HydrophobicContact CB-CZ2 4.39Å; D431-W453 HydrophobicContact CB-CZ3 4.04Å
432F89.1Confident74.4Confident11 Ų1157.2 Ų57.25%0.04831%0.308CS..EExtended strand (participates in β ladder)trans-128.1122.1-180175.7-102.8000109.8F29 R31 Y312 N434 I452 L454F29-F432 HydrophobicContact CD1-CE2 4.4Å; F29-F432 HydrophobicContact CD1-CZ 4.43Å; F29-F432 HydrophobicContact CE1-CD1 4.33Å; F29-F432 HydrophobicContact CE1-CD2 4.13Å; F29-F432 AromaticContact CE1-CE1 3.76Å; F29-F432 HydrophobicContact CE1-CE1 3.76Å; F29-F432 AromaticContact CE1-CE2 3.54Å; F29-F432 HydrophobicContact CE1-CE2 3.54Å; F29-F432 AromaticContact CE1-CZ 3.37Å; F29-F432 HydrophobicContact CE1-CZ 3.37Å; F29-F432 HydrophobicContact CZ-CD1 4.03Å; F29-F432 HydrophobicContact CZ-CD2 4.21Å; F29-F432 AromaticContact CZ-CE1 3.86Å; F29-F432 HydrophobicContact CZ-CE1 3.86Å; F29-F432 HydrophobicContact CZ-CE2 4.07Å; F29-F432 HydrophobicContact CZ-CG 4.23Å; F29-F432 AromaticContact CZ-CZ 3.92Å; F29-F432 HydrophobicContact CZ-CZ 3.92Å; R31-F432 HydrophobicContact CG-CZ 4.4Å; Y312-F432 HydrophobicContact CD1-CE2 4.1Å; F432-N434 HydrophobicContact CD1-CB 4.36Å; F432-N434 HydrophobicContact CE1-CB 3.73Å; F432-I452 PolarHBondContact N-O 3.09Å; F432-I452 PolarHBondContact O-N 3.44Å; F432-L454 HydrophobicContact CB-CD1 3.55Å; F432-L454 HydrophobicContact CB-CG 3.97Å; F432-L454 HydrophobicContact CD1-CD1 4.14Å; F432-L454 HydrophobicContact CG-CD1 3.82Å
433K85.1Confident72Confident77 Ų7765.4 Ų65.434%0.33535%0.346SS..EExtended strand (participates in β ladder)trans-95111.2176.7-66.6178.6-177173.40109.5L435 T449 V451K433-L435 PolarHBondContact O-N 2.86Å; K433-T449 HydrophobicContact CB-CG2 4.22Å; K433-V451 HydrophobicContact CG-CG2 4.32Å
434N76.9Confident69.5Low33 Ų3374.3 Ų74.318%0.17639%0.386CS..  trans-82.9102.1-178.1-163.8-1.9000111.7R31 F432 A436 I452R31-N434 PolarHBondContact O-ND2 2.8Å; R31-N434 PolarHBondContact O-OD1 2.91Å; F432-N434 HydrophobicContact CD1-CB 4.36Å; F432-N434 HydrophobicContact CE1-CB 3.73Å; N434-A436 PolarHBondContact O-N 3.02Å; N434-A436 WeakPolarHBondContact OD1-CB 3.26Å; N434-A436 PolarHBondContact OD1-N 2.76Å; N434-A436 VanDerWaalsContact OD1-N 3.08Å; N434-I452 HydrophobicContact CB-CD1 4.21Å
435L70.8Confident67Low118 Ų11879.2 Ų79.262%0.61842%0.42SS*.THydrogen-bonded Turntrans-774175.6-60.7172.2000113.8K433K433-L435 PolarHBondContact O-N 2.86Å
436A58Low64.5Low39 Ų3986.7 Ų86.732%0.32246%0.46SS..THydrogen-bonded Turntrans-83.3-8.7-17600000114.6N434N434-A436 PolarHBondContact O-N 3.02Å; N434-A436 WeakPolarHBondContact OD1-CB 3.26Å; N434-A436 PolarHBondContact OD1-N 2.76Å; N434-A436 VanDerWaalsContact OD1-N 3.08Å
437A52.7Low62.1Low66 Ų6696 Ų9655%0.54550%0.504SS..SBendtrans-64.7135.4169.200000109I439A437-I439 PolarHBondContact O-N 2.88Å
438P44.7Very low59.9Low112 Ų11297.2 Ų97.273%0.72753%0.528SS*.  trans-59.6114.6176.623.5-29.9000107.9R440P438-R440 PolarHBondContact O-N 3.21Å
439I46.6Very low58.1Low154 Ų154100.7 Ų100.779%0.7955%0.55SS*.  trans-6490.1168.1-56.5170.5000105.2A437A437-I439 PolarHBondContact O-N 2.88Å
440R40.9Very low56.9Low187 Ų187105.3 Ų105.371%0.70657%0.573SS**  trans-62.2132.4159.7-69.1-177.6178.8-176.52.1105.1P438 I442P438-R440 PolarHBondContact O-N 3.21Å; R440-I442 VanDerWaalsContact C-N 3.31Å; R440-I442 HydrophobicContact CB-CD1 3.67Å; R440-I442 HydrophobicContact CB-CG1 3.63Å; R440-I442 HydrophobicContact CG-CD1 4.46Å; R440-I442 PolarHBondContact O-N 3.49Å
441P38.9Very low56.3Low131 Ų131108.5 Ų108.585%0.85159%0.592SS**  trans-65.3102.6166.227.2-27.7000105.5
442I38.4Very low56.2Low123 Ų123110.4 Ų110.463%0.63160%0.602SS**  trans-119.1130.6177.1-63.9175.8000107.5R440R440-I442 VanDerWaalsContact C-N 3.31Å; R440-I442 HydrophobicContact CB-CD1 3.67Å; R440-I442 HydrophobicContact CB-CG1 3.63Å; R440-I442 HydrophobicContact CG-CD1 4.46Å; R440-I442 PolarHBondContact O-N 3.49Å
443E38.3Very low56.3Low175 Ų175115.1 Ų115.182%0.81862%0.619SS**  trans-46.5153.4175.4-63.3167.315800112.1S445E443-S445 PolarHBondContact O-N 3.27Å
444E39.1Very low56.6Low201 Ų201112.2 Ų112.294%0.93961%0.607SS**SBendtrans-51.984.4-177.1-60.1173.8153.800113.2
445S38.4Very low57.4Low104 Ų104114.3 Ų114.373%0.72762%0.621SS**SBendtrans172.4120.9149.235.50000111.8E443E443-S445 PolarHBondContact O-N 3.27Å
446D39.8Very low58.5Low159 Ų159109.4 Ų109.485%0.8560%0.595SS**  trans58.899.1163.7-87.9-17.4000120.1
447Q40.5Very low60.1Low196 Ų196108 Ų10892%0.91658%0.582SS**  -169.3105.8113.6-99.6167.826.200109.3
448G46.3Very low62.1Low69 Ų69104.9 Ų104.971%0.71156%0.556SS**PPolyproline II helixtrans-55.9140.6173.600000110.9E450G448-E450 PolarHBondContact O-N 3.23Å
449T57.9Low64.4Low73 Ų73100 Ų10045%0.44852%0.524SS..PPolyproline II helixtrans-49.3117.9172.3-450000109K433 V451K433-T449 HydrophobicContact CB-CG2 4.22Å; T449-V451 PolarHBondContact O-N 3.48Å; T449-V451 VanDerWaalsContact O-N 3.13Å
450E68.8Low66.6Low169 Ų16993 Ų9379%0.7949%0.488SS*.PPolyproline II helixtrans-55.8121.9-179.9-75.7-174.4162.700109.9G448G448-E450 PolarHBondContact O-N 3.23Å
451V80.3Confident69.1Low68 Ų6885.3 Ų85.341%0.41246%0.462SS..EExtended strand (participates in β ladder)trans-85.6116.3178.9-179.70000108.2D431 K433 T449D431-V451 HydrophobicContact CB-CG1 3.6Å; K433-V451 HydrophobicContact CG-CG2 4.32Å; T449-V451 PolarHBondContact O-N 3.48Å; T449-V451 VanDerWaalsContact O-N 3.13Å
452I88.2Confident71.5Confident53 Ų5379.4 Ų79.427%0.27242%0.424SS..EExtended strand (participates in β ladder)trans-99.8124.2179.5-54.6174000108.3F432 N434 L454F432-I452 PolarHBondContact N-O 3.09Å; F432-I452 PolarHBondContact O-N 3.44Å; N434-I452 HydrophobicContact CB-CD1 4.21Å; I452-L454 HydrophobicContact CG2-CD2 3.71Å; I452-L454 HydrophobicContact CG2-CG 4.32Å
453W90.8Very high73.8Confident110 Ų11074 Ų7442%0.41740%0.399SS..EExtended strand (participates in β ladder)trans-85.1117.5173.2-70.193.8000110.5H345 K429 D431H345-W453 HydrophobicContact CB-CH2 3.79Å; H345-W453 HydrophobicContact CB-CZ3 4.21Å; K429-W453 HydrophobicContact CD-CE3 4.23Å; K429-W453 HydrophobicContact CG-CE3 3.92Å; D431-W453 HydrophobicContact CB-CD2 4.36Å; D431-W453 HydrophobicContact CB-CE3 4.11Å; D431-W453 HydrophobicContact CB-CH2 4.2Å; D431-W453 HydrophobicContact CB-CZ2 4.39Å; D431-W453 HydrophobicContact CB-CZ3 4.04Å
454L92.4Very high76.2Confident17 Ų1770.2 Ų70.29%0.08939%0.389CS..EExtended strand (participates in β ladder)trans-107.2137.6178.8-57.4179000109.9F29 S34 K429 H430 F432 I452 Q456F29-L454 HydrophobicContact CE2-CD1 3.68Å; F29-L454 HydrophobicContact CZ-CD1 3.71Å; S34-L454 WeakPolarHBondContact O-CD2 3.25Å; K429-L454 CarbonylContact C-O 3.24Å; K429-L454 VanDerWaalsContact CA-O 3.27Å; K429-L454 WeakPolarHBondContact CA-O 3.4Å; H430-L454 PolarHBondContact N-O 3.03Å; H430-L454 PolarHBondContact O-N 3.21Å; F432-L454 HydrophobicContact CB-CD1 3.55Å; F432-L454 HydrophobicContact CB-CG 3.97Å; F432-L454 HydrophobicContact CD1-CD1 4.14Å; F432-L454 HydrophobicContact CG-CD1 3.82Å; I452-L454 HydrophobicContact CG2-CD2 3.71Å; I452-L454 HydrophobicContact CG2-CG 4.32Å; L454-Q456 VanDerWaalsContact CB-NE2 3.31Å
455T93.2Very high78.4Confident77 Ų7762 Ų6247%0.47235%0.351SS..EExtended strand (participates in β ladder)trans-115.5123.8176.5-52.80000109.3K427 M428K427-T455 HydrophobicContact CB-CG2 3.89Å; K427-T455 HydrophobicContact CG-CG2 4.37Å; M428-T455 CarbonylContact O-C 3.57Å; M428-T455 WeakPolarHBondContact O-CA 3.01Å
456Q93.6Very high80.3Confident14 Ų1460.7 Ų60.77%0.06534%0.336CS..EExtended strand (participates in β ladder)trans-114.4132.7175.2-6675.825.100109.6Y12 I313 K427 M428 H430 L454Y12-Q456 HydrophobicContact CD1-CB 4.09Å; Y12-Q456 HydrophobicContact CD1-CG 4.48Å; I313-Q456 HydrophobicContact CD1-CG 4.39Å; I313-Q456 HydrophobicContact CG2-CG 4.49Å; K427-Q456 CarbonylContact C-O 3.55Å; K427-Q456 WeakPolarHBondContact CA-O 3.49Å; M428-Q456 PolarHBondContact N-O 3.06Å; M428-Q456 PolarHBondContact O-N 3.14Å; M428-Q456 PolarHBondContact O-OE1 3.14Å; M428-Q456 VanDerWaalsContact O-OE1 3.12Å; H430-Q456 PolarHBondContact CE1-NE2 3.21Å; H430-Q456 PolarHBondContact CE1-OE1 3.22Å; H430-Q456 PolarHBondContact ND1-OE1 3.36Å; L454-Q456 VanDerWaalsContact CB-NE2 3.31Å
457H93.2Very high81.5Confident11 Ų1161.5 Ų61.55%0.05135%0.35CS..EExtended strand (participates in β ladder)trans-84.4119.9171.3-170.4-73.1000108.8L13 C351 D357 C425L13-H457 HydrophobicContact CB-CB 3.78Å; L13-H457 HydrophobicContact CD2-CB 3.89Å; L13-H457 PolarHBondContact N-O 3.37Å; C351-H457 PolarHBondContact SG-NE2 3.11Å; C351-H457 VanDerWaalsContact SG-NE2 3.37Å; D357-H457 PolarHBondContact O-CE1 3.13Å; C425-H457 VanDerWaalsContact CB-CE1 3.5Å; C425-H457 WeakPolarHBondContact CB-CE1 3.4Å
458V93.8Very high83.5Confident0 Ų054.8 Ų54.80%032%0.322CS..EExtended strand (participates in β ladder)trans-110.7131.6-176-175.10000108.7V10 L11 Y12 C425 F426 M428 L460V10-V458 HydrophobicContact CG1-CG1 3.87Å; L11-V458 WeakPolarHBondContact O-CA 3.37Å; Y12-V458 HydrophobicContact CD1-CG2 3.87Å; Y12-V458 HydrophobicContact CE1-CG2 3.67Å; C425-V458 WeakPolarHBondContact CA-O 3.4Å; F426-V458 HydrophobicContact CE1-CB 4.04Å; F426-V458 HydrophobicContact CE1-CG1 4.03Å; F426-V458 HydrophobicContact CE2-CB 4.19Å; F426-V458 HydrophobicContact CE2-CG2 4.39Å; F426-V458 HydrophobicContact CZ-CB 3.87Å; F426-V458 HydrophobicContact CZ-CG1 3.92Å; F426-V458 HydrophobicContact CZ-CG2 4.39Å; F426-V458 PolarHBondContact N-O 3.21Å; F426-V458 PolarHBondContact O-N 3.04Å; M428-V458 HydrophobicContact CB-CG2 4.06Å; V458-L460 HydrophobicContact CG1-CD2 4.35Å
459E93.3Very high85.5Confident10 Ų1054 Ų545%0.04730%0.301CS..EExtended strand (participates in β ladder)trans-114.9126.9175.4-179.3169.2157.700109.6V10 L11 R21 N360 V424V10-E459 WeakPolarHBondContact CA-O 3.34Å; L11-E459 HydrophobicContact CB-CB 4.42Å; L11-E459 PolarHBondContact N-O 2.94Å; L11-E459 PolarHBondContact O-N 3.3Å; R21-E459 WeakPolarHBondContact CD-OE2 3.49Å; R21-E459 IonicContact CZ-OE2 3.67Å; R21-E459 IonicContact NE-OE2 3.53Å; R21-E459 PolarHBondContact NE-OE2 2.97Å; R21-E459 IonicContact NH2-OE2 2.89Å; N360-E459 VanDerWaalsContact CB-OE1 3.31Å; N360-E459 WeakPolarHBondContact CB-OE1 3.11Å; N360-E459 PolarHBondContact ND2-OE1 3.38Å; V424-E459 CarbonylContact O-C 3.56Å; V424-E459 WeakPolarHBondContact O-CA 3.19Å
460L92.8Very high87Confident6 Ų652.9 Ų52.93%0.03129%0.293CS..EExtended strand (participates in β ladder)trans-111128.3179.3-61175000109.5V10 V316 I318 L334 T423 V424 F426 V458 L462V10-L460 HydrophobicContact CB-CD2 4.1Å; V10-L460 HydrophobicContact CG1-CD2 3.68Å; V10-L460 HydrophobicContact CG2-CD2 3.55Å; V316-L460 HydrophobicContact CG1-CD2 4.15Å; I318-L460 HydrophobicContact CD1-CD2 4.41Å; I318-L460 HydrophobicContact CG1-CD2 4.23Å; L334-L460 HydrophobicContact CD1-CD1 3.65Å; L334-L460 HydrophobicContact CD2-CD1 4.07Å; T423-L460 CarbonylContact C-O 3.58Å; T423-L460 VanDerWaalsContact CA-O 3.28Å; T423-L460 WeakPolarHBondContact CA-O 3.23Å; V424-L460 HydrophobicContact CB-CB 4.46Å; V424-L460 PolarHBondContact N-O 2.98Å; V424-L460 PolarHBondContact O-N 2.89Å; F426-L460 HydrophobicContact CD1-CD1 4.3Å; F426-L460 HydrophobicContact CE1-CD1 3.56Å; F426-L460 HydrophobicContact CE1-CG 3.87Å; V458-L460 HydrophobicContact CG1-CD2 4.35Å; L460-L462 HydrophobicContact CB-CD2 4.35Å
461S92.6Very high88.1Confident25 Ų2546.1 Ų46.118%0.17526%0.264CS..EExtended strand (participates in β ladder)trans-99.9104.1169.6-58.90000109.5R9 G463R9-S461 VanDerWaalsContact CZ-O 3.3Å; R9-S461 PolarHBondContact NE-O 3.24Å; R9-S461 PolarHBondContact NH2-O 3.06Å; R9-S461 PolarHBondContact O-N 3.25Å; S461-G463 VanDerWaalsContact C-N 3.35Å
462L89.9Confident88.6Confident7 Ų744.8 Ų44.84%0.03726%0.255CS..EExtended strand (participates in β ladder)trans-85-9.7-176.5-57177.6000113.2R9 I318 I321 L324 V332 V413 V422 V424 L460R9-L462 VanDerWaalsContact NH2-CA 3.33Å; R9-L462 PolarHBondContact NH2-O 3.4Å; I318-L462 HydrophobicContact CD1-CD2 3.99Å; I318-L462 HydrophobicContact CG1-CD2 4.46Å; I321-L462 WeakPolarHBondContact CD1-O 3.25Å; I321-L462 HydrophobicContact CG2-CB 4.46Å; L324-L462 HydrophobicContact CD1-CB 3.73Å; L324-L462 HydrophobicContact CD1-CD1 4.36Å; V332-L462 HydrophobicContact CG1-CD2 4.02Å; V332-L462 HydrophobicContact CG2-CD1 3.99Å; V332-L462 HydrophobicContact CG2-CD2 4.41Å; V413-L462 HydrophobicContact CB-CD1 4.35Å; V413-L462 HydrophobicContact CG1-CD1 3.9Å; V413-L462 HydrophobicContact CG2-CD1 4.07Å; V422-L462 HydrophobicContact CB-CB 4.31Å; V422-L462 HydrophobicContact CG1-CB 4.44Å; V422-L462 HydrophobicContact CG1-CD1 4.13Å; V422-L462 PolarHBondContact O-N 3.08Å; V424-L462 HydrophobicContact CG2-CD1 3.94Å; L460-L462 HydrophobicContact CB-CD2 4.35Å
463G87.1Confident88.6Confident11 Ų1144.2 Ų44.211%0.11325%0.253CS..EExtended strand (participates in β ladder)trans97.9-169.3175.300000112.2E421 V422 S461E421-G463 WeakPolarHBondContact CA-O 3.1Å; V422-G463 PolarHBondContact N-O 3.21Å; S461-G463 VanDerWaalsContact C-N 3.35Å
464P88Confident88.5Confident94 Ų9439.5 Ų39.561%0.6124%0.242SC*.EExtended strand (participates in β ladder)trans-71147-173.129-35000112.4
465L85.3Confident88.2Confident28 Ų2841.2 Ų41.215%0.14725%0.253CS..PPolyproline II helixtrans-70.2136.4170.1-158.5136.4000109.9P415 R417 G420 V422P415-L465 HydrophobicContact CB-CD1 3.42Å; P415-L465 VanDerWaalsContact CB-CD1 3.42Å; P415-L465 HydrophobicContact CG-CD1 4Å; R417-L465 WeakPolarHBondContact O-CD1 3.29Å; G420-L465 PolarHBondContact O-N 3.28Å; V422-L465 HydrophobicContact CG2-CB 4.12Å; V422-L465 HydrophobicContact CG2-CD1 3.95Å; V422-L465 HydrophobicContact CG2-CG 4.41Å
466L78Confident87.7Confident77 Ų7738.3 Ų38.340%0.40324%0.235SC..PPolyproline II helixtrans-87.1141.3175.5-72.2170.1000109.8N323 L324N323-L466 HydrophobicContact CB-CD1 3.76Å; N323-L466 WeakPolarHBondContact OD1-CD1 3.4Å; L324-L466 PolarHBondContact O-N 3.19Å
467P65.3Low87.2Confident176 Ų17640.5 Ų40.5100%1.14325%0.251SS*.  trans-60.60-179.624.5-33000113.8

Retrieved 467 of 467 residues in 241.8 ms (Link to these results)

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