A0A087XIZ9_POEFO Loading...

PDZ domain containing 3a

AlphaFold DB , UniProt , Accession A0A087XIZ9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 346 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
1M82.8Confident90.8Very high67 Ų6760.3 Ų60.333%0.3330%0.299SS..  0820-63-179.7-70.500108.9E87 Q90 A91 M94 L96 L101M1-E87 WeakPolarHBondContact CA-OE1 2.96Å; M1-E87 HydrophobicContact CG-CB 4.15Å; M1-E87 PolarHBondContact N-OE1 3.2Å; M1-Q90 HydrophobicContact SD-CG 4.45Å; M1-A91 VanDerWaalsContact SD-CA 3.55Å; M1-A91 HydrophobicContact SD-CB 3.5Å; M1-A91 WeakPolarHBondContact SD-CB 3.45Å; M1-M94 HydrophobicContact CE-CE 4.19Å; M1-M94 HydrophobicContact CE-SD 3.9Å; M1-L96 HydrophobicContact CE-CD1 3.2Å; M1-L96 HydrophobicContact SD-CD1 3.71Å; M1-L101 HydrophobicContact CB-CD2 4.35Å
2V88.9Confident89.5Confident112 Ų11267.7 Ų67.768%0.67933%0.332SS*.  trans-125.1104.1177.8-177.10000108.2E87V2-E87 PolarHBondContact N-OE1 2.87Å; V2-E87 VanDerWaalsContact N-OE1 3.08Å
3P95.4Very high88.1Confident13 Ų1368.4 Ų68.48%0.08437%0.368CS..  trans-59.5142.2174.4-19.329.5000111L52 L81 V82 L83 L101 T105P3-L52 HydrophobicContact CB-CD1 4.1Å; P3-L52 HydrophobicContact CG-CD1 4.03Å; P3-L81 HydrophobicContact CB-CD1 4.01Å; P3-L81 HydrophobicContact CB-CD2 3.98Å; P3-L81 HydrophobicContact CB-CG 3.82Å; P3-V82 CarbonylContact C-O 3.6Å; P3-V82 VanDerWaalsContact CA-O 3.27Å; P3-V82 WeakPolarHBondContact CA-O 3.38Å; P3-L83 HydrophobicContact CG-CD1 4.22Å; P3-L101 HydrophobicContact CG-CD2 4.21Å; P3-L101 HydrophobicContact CG-CG 3.94Å; P3-T105 HydrophobicContact CB-CG2 3.96Å; P3-T105 HydrophobicContact CG-CG2 3.85Å
4R95Very high87.6Confident77 Ų7769 Ų6929%0.29137%0.367SS..EExtended strand (participates in β ladder)trans-110.5136.1-178-175.41756186.23.4110.1C6 S43 G44 E49 L81 V82R4-C6 PolarHBondContact NH1-SG 2.65Å; R4-C6 PolarHBondContact NH2-SG 2.95Å; R4-C6 VanDerWaalsContact NH2-SG 3.41Å; R4-S43 PolarHBondContact NH1-O 2.96Å; R4-G44 VanDerWaalsContact CZ-O 3.25Å; R4-G44 PolarHBondContact NH1-O 3.18Å; R4-G44 PolarHBondContact NH2-O 2.74Å; R4-E49 IonicContact CZ-OE1 3.66Å; R4-E49 IonicContact NE-OE1 3.7Å; R4-E49 VanDerWaalsContact NH2-CD 3.3Å; R4-E49 IonicContact NH2-OE1 3.48Å; R4-E49 PolarHBondContact NH2-OE1 2.88Å; R4-E49 IonicContact NH2-OE2 2.83Å; R4-E49 PolarHBondContact NH2-OE2 2.72Å; R4-L81 WeakPolarHBondContact O-CA 3.33Å; R4-V82 HydrophobicContact CB-CG2 4.41Å; R4-V82 PolarHBondContact N-O 2.92Å; R4-V82 PolarHBondContact O-N 3.25Å
5L95.7Very high87.4Confident46 Ų4666.5 Ų66.524%0.24136%0.357CS..EExtended strand (participates in β ladder)trans-88.3125.3172.7-175.873.2000110.1F79 L80 L81 M206L5-F79 HydrophobicContact CD1-CB 4.24Å; L5-L80 CarbonylContact C-O 3.54Å; L5-L80 WeakPolarHBondContact CA-O 3.37Å; L5-L81 HydrophobicContact CB-CD1 4.29Å; L5-L81 HydrophobicContact CD1-CD1 4.48Å; L5-M206 HydrophobicContact CD1-SD 4.24Å; L5-M206 HydrophobicContact CD2-CE 4.42Å; L5-M206 HydrophobicContact CD2-CG 3.24Å; L5-M206 HydrophobicContact CD2-SD 3.35Å; L5-M206 WeakPolarHBondContact CD2-SD 3.01Å; L5-M206 HydrophobicContact CG-SD 4.44Å
6C96.3Very high87.4Confident1 Ų163.3 Ų63.31%0.00734%0.339CS..EExtended strand (participates in β ladder)trans-105.7125.5170.8-57.10000109R4 L8 L45 F79 L80R4-C6 PolarHBondContact NH1-SG 2.65Å; R4-C6 PolarHBondContact NH2-SG 2.95Å; R4-C6 VanDerWaalsContact NH2-SG 3.41Å; C6-L8 HydrophobicContact CB-CD1 3.76Å; C6-L45 HydrophobicContact CB-CD1 4.14Å; C6-F79 WeakPolarHBondContact O-CA 3.11Å; C6-L80 HydrophobicContact CB-CB 4.38Å; C6-L80 PolarHBondContact N-O 2.99Å; C6-L80 PolarHBondContact O-N 2.93Å
7Q95.1Very high87.7Confident59 Ų5959.6 Ų59.628%0.27632%0.32SS..EExtended strand (participates in β ladder)trans-101.4113.7167.5-179.2178.422.600109K9 S43 D77 F79Q7-K9 HydrophobicContact CG-CG 4.22Å; Q7-S43 WeakPolarHBondContact O-CB 3.37Å; Q7-D77 PolarHBondContact NE2-OD1 2.79Å; Q7-F79 HydrophobicContact CB-CD1 4.09Å; Q7-F79 HydrophobicContact CB-CE1 3.99Å; Q7-F79 HydrophobicContact CG-CD1 4.06Å; Q7-F79 HydrophobicContact CG-CE1 3.57Å; Q7-F79 HydrophobicContact CG-CZ 4.09Å
8L93.7Very high88Confident0 Ų057.7 Ų57.70%031%0.308CS..EExtended strand (participates in β ladder)trans-100.5127.6175-65.273000108.3C6 F16 F18 P39 A40 S43 L45 L78 L80C6-L8 HydrophobicContact CB-CD1 3.76Å; L8-F16 HydrophobicContact CB-CD1 3.67Å; L8-F16 HydrophobicContact CB-CE1 3.98Å; L8-F16 HydrophobicContact CD2-CB 3.99Å; L8-F16 HydrophobicContact CD2-CD1 4.05Å; L8-F16 HydrophobicContact CD2-CG 4.31Å; L8-F18 HydrophobicContact CD2-CD1 3.96Å; L8-F18 HydrophobicContact CD2-CE1 3.89Å; L8-P39 HydrophobicContact CB-CB 4.36Å; L8-A40 VanDerWaalsContact CD2-CA 3.49Å; L8-A40 HydrophobicContact CD2-CB 3.74Å; L8-S43 WeakPolarHBondContact CD1-OG 3.12Å; L8-S43 WeakPolarHBondContact CG-OG 3.46Å; L8-L45 HydrophobicContact CD2-CD2 4.44Å; L8-L78 HydrophobicContact CB-CB 4.25Å; L8-L78 HydrophobicContact CD2-CD2 4.38Å; L8-L78 PolarHBondContact N-O 2.97Å; L8-L78 PolarHBondContact O-N 3.05Å; L8-L80 HydrophobicContact CD1-CD1 4.02Å; L8-L80 HydrophobicContact CD1-CG 4.12Å; L8-L80 HydrophobicContact CD2-CD1 4.47Å
9K90.3Very high88.1Confident129 Ų12956.8 Ų56.856%0.56130%0.302SS*.EExtended strand (participates in β ladder)trans-119124.2176.4-63.1-171.1177.6-179.40109.4Q7 P39 L76 D77Q7-K9 HydrophobicContact CG-CG 4.22Å; K9-P39 WeakPolarHBondContact O-CB 3.21Å; K9-L76 WeakPolarHBondContact CA-O 3.02Å; K9-D77 WeakPolarHBondContact CE-OD1 3.36Å; K9-D77 WeakPolarHBondContact CG-OD1 3.24Å
10R85.1Confident88.3Confident62 Ų6255.5 Ų55.523%0.23430%0.295CS..  trans-121162.7177.167172.2-176.8142.2-3.5111.2Q14 F16 P39 G75 L76R10-Q14 HydrophobicContact CB-CB 4.38Å; R10-Q14 WeakPolarHBondContact CD-O 3.11Å; R10-Q14 PolarHBondContact NH1-O 2.66Å; R10-F16 HydrophobicContact CB-CD1 4.15Å; R10-F16 HydrophobicContact CB-CE1 4Å; R10-F16 HydrophobicContact CG-CD1 4.11Å; R10-F16 HydrophobicContact CG-CE1 3.56Å; R10-F16 HydrophobicContact CG-CE2 4.46Å; R10-F16 HydrophobicContact CG-CZ 3.76Å; R10-P39 HydrophobicContact CB-CG 3.98Å; R10-G75 PolarHBondContact NE-O 2.61Å; R10-G75 PolarHBondContact NH2-O 3.48Å; R10-L76 HydrophobicContact CG-CD2 4.22Å; R10-L76 PolarHBondContact N-O 2.8Å
11V81Confident88.3Confident97 Ų9757.5 Ų57.559%0.58830%0.302SS*.  trans-90.7164.2165.7-60.50000110.9G13 Q14V11-G13 PolarHBondContact O-N 3.47Å; V11-Q14 HydrophobicContact CG2-CB 3.8Å; V11-Q14 WeakPolarHBondContact O-CB 3.4Å; V11-Q14 PolarHBondContact O-N 3.44Å
12E74.9Confident88.6Confident149 Ų14956.9 Ų56.970%0.69630%0.299SS*.THydrogen-bonded Turntrans-61.7132.4177.7-169.8157.6-137.500110.5Q14 L76 K325E12-Q14 VanDerWaalsContact C-N 3.31Å; E12-Q14 PolarHBondContact O-N 2.73Å; E12-L76 HydrophobicContact CB-CD2 4.41Å; E12-K325 IonicContact OE1-NZ 3.72Å; E12-K325 PolarHBondContact OE1-NZ 2.85Å
13G70.7Confident88.2Confident77 Ų7755 Ų5579%0.79428%0.283SS*.THydrogen-bonded Turntrans85.2-12.8-176.100000115.8V11V11-G13 PolarHBondContact O-N 3.47Å
14Q81.6Confident87Confident77 Ų7762.3 Ų62.336%0.3632%0.316SS..  trans-83.6148.3174.4-166.5-171.715.900110.6R10 V11 E12R10-Q14 HydrophobicContact CB-CB 4.38Å; R10-Q14 WeakPolarHBondContact CD-O 3.11Å; R10-Q14 PolarHBondContact NH1-O 2.66Å; V11-Q14 HydrophobicContact CG2-CB 3.8Å; V11-Q14 WeakPolarHBondContact O-CB 3.4Å; V11-Q14 PolarHBondContact O-N 3.44Å; E12-Q14 VanDerWaalsContact C-N 3.31Å; E12-Q14 PolarHBondContact O-N 2.73Å
15S83.9Confident85.7Confident31 Ų3165.5 Ų65.522%0.21734%0.339CS..  trans-81.4173.1166.778.20000111.8G17 F346S15-G17 VanDerWaalsContact C-N 3.34Å; S15-G17 PolarHBondContact OG-N 2.84Å; S15-F346 WeakPolarHBondContact CB-O 3.46Å; S15-F346 PolarHBondContact OG-O 3.33Å
16F88.8Confident84Confident15 Ų1568 Ų687%0.06635%0.352CS..  trans-83.2-12.3172.3-73.3-69.8000112.9L8 R10 F18 P39 A40 C74 L78L8-F16 HydrophobicContact CB-CD1 3.67Å; L8-F16 HydrophobicContact CB-CE1 3.98Å; L8-F16 HydrophobicContact CD2-CB 3.99Å; L8-F16 HydrophobicContact CD2-CD1 4.05Å; L8-F16 HydrophobicContact CD2-CG 4.31Å; R10-F16 HydrophobicContact CB-CD1 4.15Å; R10-F16 HydrophobicContact CB-CE1 4Å; R10-F16 HydrophobicContact CG-CD1 4.11Å; R10-F16 HydrophobicContact CG-CE1 3.56Å; R10-F16 HydrophobicContact CG-CE2 4.46Å; R10-F16 HydrophobicContact CG-CZ 3.76Å; F16-F18 HydrophobicContact CB-CD1 3.74Å; F16-F18 HydrophobicContact CB-CE1 3.58Å; F16-F18 HydrophobicContact CG-CE1 4.33Å; F16-P39 HydrophobicContact CD1-CB 4.24Å; F16-A40 WeakPolarHBondContact O-CB 3.16Å; F16-A40 PolarHBondContact O-N 3.42Å; F16-C74 VanDerWaalsContact CE2-SG 3.5Å; F16-C74 WeakPolarHBondContact CZ-SG 3.48Å; F16-L78 HydrophobicContact CD1-CB 4.29Å; F16-L78 HydrophobicContact CD1-CD2 4.27Å; F16-L78 HydrophobicContact CD2-CD2 3.87Å; F16-L78 HydrophobicContact CE1-CB 3.63Å; F16-L78 HydrophobicContact CE1-CD2 4.33Å; F16-L78 HydrophobicContact CE2-CB 4.1Å; F16-L78 HydrophobicContact CE2-CD2 3.94Å; F16-L78 HydrophobicContact CG-CD2 4.04Å; F16-L78 HydrophobicContact CZ-CB 3.53Å; F16-L78 HydrophobicContact CZ-CD2 4.18Å; F16-L78 HydrophobicContact CZ-CG 4.48Å
17G91.6Very high82.8Confident2 Ų272.7 Ų72.72%0.02137%0.374CS..  trans68.344.417800000115.5S15 E35 S38S15-G17 VanDerWaalsContact C-N 3.34Å; S15-G17 PolarHBondContact OG-N 2.84Å; G17-E35 VanDerWaalsContact CA-OE2 3.3Å; G17-E35 WeakPolarHBondContact CA-OE2 3.32Å; G17-E35 PolarHBondContact O-N 3.4Å; G17-S38 PolarHBondContact O-OG 3.41Å
18F93.7Very high82.3Confident25 Ų2569.9 Ų69.911%0.1136%0.361CS..  trans-147.4153.916972.4-85.8000110.9L8 F16 I31 V34 A40 L45 I71 L78 L80L8-F18 HydrophobicContact CD2-CD1 3.96Å; L8-F18 HydrophobicContact CD2-CE1 3.89Å; F16-F18 HydrophobicContact CB-CD1 3.74Å; F16-F18 HydrophobicContact CB-CE1 3.58Å; F16-F18 HydrophobicContact CG-CE1 4.33Å; F18-I31 HydrophobicContact CB-CG2 4.19Å; F18-I31 HydrophobicContact CD2-CD1 3.98Å; F18-I31 HydrophobicContact CD2-CG2 4.32Å; F18-I31 HydrophobicContact CE2-CD1 4.02Å; F18-V34 HydrophobicContact CB-CG2 4.37Å; F18-A40 HydrophobicContact CB-CB 3.96Å; F18-A40 HydrophobicContact CD1-CB 4.03Å; F18-A40 HydrophobicContact CG-CB 4.42Å; F18-L45 HydrophobicContact CB-CD2 4.09Å; F18-L45 HydrophobicContact CD1-CD2 4.16Å; F18-L45 HydrophobicContact CD2-CD2 4.42Å; F18-L45 HydrophobicContact CG-CD2 3.97Å; F18-I71 HydrophobicContact CE2-CD1 4.39Å; F18-I71 HydrophobicContact CZ-CD1 4.16Å; F18-I71 HydrophobicContact CZ-CG2 4.06Å; F18-L78 HydrophobicContact CE1-CD2 3.97Å; F18-L78 HydrophobicContact CZ-CD2 4.14Å; F18-L80 HydrophobicContact CE1-CD1 4.23Å; F18-L80 HydrophobicContact CE2-CD1 4.48Å; F18-L80 HydrophobicContact CZ-CD1 3.97Å
19H89.9Confident82.2Confident41 Ų4169.9 Ų69.919%0.1936%0.361CS..EExtended strand (participates in β ladder)trans-101.6145.2171.9-68.4178.6000111.1R32 E33H19-R32 HydrophobicContact CB-CB 4.28Å; H19-R32 PolarHBondContact N-O 3.35Å; H19-R32 PolarHBondContact O-N 3.07Å; H19-E33 HydrophobicContact CB-CB 4.16Å; H19-E33 IonicContact CE1-OE2 3.3Å; H19-E33 PolarHBondContact CE1-OE2 3.25Å; H19-E33 IonicContact CG-OE2 2.74Å; H19-E33 IonicContact ND1-OE2 3.93Å; H19-E33 PolarHBondContact ND1-OE2 2.76Å
20L91.9Very high82.4Confident30 Ų3064.1 Ų64.116%0.15734%0.336CS..EExtended strand (participates in β ladder)trans-108.6125.7175.7-168.570.8000109.5F29 I31 L51 F64 V67 V68 I71L20-F29 HydrophobicContact CD1-CB 4.03Å; L20-F29 HydrophobicContact CD1-CD1 4.3Å; L20-F29 HydrophobicContact CD2-CD1 3.74Å; L20-F29 HydrophobicContact CD2-CE1 4.22Å; L20-F29 HydrophobicContact CG-CD1 4.01Å; L20-I31 HydrophobicContact CD1-CD1 4.15Å; L20-L51 HydrophobicContact CD1-CD2 3.68Å; L20-F64 HydrophobicContact CB-CE2 4.4Å; L20-F64 HydrophobicContact CD2-CE2 4.1Å; L20-F64 HydrophobicContact CG-CE2 4.18Å; L20-V67 HydrophobicContact CD2-CB 4.42Å; L20-V67 HydrophobicContact CD2-CG1 3.75Å; L20-V68 HydrophobicContact CD2-CG2 4.27Å; L20-I71 HydrophobicContact CD2-CD1 3.98Å
21H88.8Confident82.9Confident97 Ų9761.1 Ų61.145%0.44933%0.325SS..EExtended strand (participates in β ladder)trans-117.9133177.4-17682.8000110.2F29 I30 R32H21-F29 CarbonylContact O-C 3.55Å; H21-F29 WeakPolarHBondContact O-CA 3.41Å; H21-I30 PolarHBondContact N-O 3.2Å; H21-I30 PolarHBondContact O-N 2.91Å; H21-R32 HydrophobicContact CB-CG 3.99Å
22M87.5Confident83.4Confident54 Ų5460.7 Ų60.727%0.26631%0.313SS..EExtended strand (participates in β ladder)trans-91125.1169176.4172.9-85.500109F29 F64M22-F29 HydrophobicContact CE-CE1 3.64Å; M22-F29 HydrophobicContact CE-CE2 4.06Å; M22-F29 HydrophobicContact CE-CZ 3.31Å; M22-F64 HydrophobicContact CB-CD2 3.81Å; M22-F64 HydrophobicContact CB-CE2 4.45Å; M22-F64 HydrophobicContact CE-CB 3.6Å; M22-F64 HydrophobicContact SD-CB 4.04Å
23E81.8Confident84.2Confident73 Ų7358.8 Ų58.834%0.34130%0.304SS..PPolyproline II helixtrans-73.8145.3179.5-163.3166.8-127.100111.2N26 G28 I30 R50E23-N26 PolarHBondContact O-N 3.27Å; E23-G28 PolarHBondContact N-O 3.37Å; E23-G28 VanDerWaalsContact N-O 3.09Å; E23-I30 HydrophobicContact CB-CD1 4.08Å; E23-I30 HydrophobicContact CG-CD1 4.2Å; E23-I30 WeakPolarHBondContact OE1-CD1 3.46Å; E23-R50 IonicContact OE2-CZ 3.66Å; E23-R50 VanDerWaalsContact OE2-CZ 3.27Å; E23-R50 IonicContact OE2-NH1 3.72Å; E23-R50 PolarHBondContact OE2-NH1 3.16Å; E23-R50 IonicContact OE2-NH2 3.9Å; E23-R50 PolarHBondContact OE2-NH2 3.07Å
24Q70.6Confident85.2Confident167 Ų16756.5 Ų56.578%0.7828%0.275SS*.G310 helixtrans-56.4146.9176.2-65.4178.6-700110.1N26 H27Q24-N26 VanDerWaalsContact C-N 3.3Å; Q24-N26 PolarHBondContact O-N 3.46Å; Q24-H27 PolarHBondContact O-CD2 3.28Å
25N66.4Low85.7Confident144 Ų14455.2 Ų55.277%0.7727%0.269SS*.G310 helixtrans67.220.1-173.2-51.9-24.7000115.8H27N25-H27 VanDerWaalsContact C-N 3.25Å; N25-H27 PolarHBondContact O-N 3.4Å
26N60.5Low86.2Confident97 Ų9758.2 Ų58.252%0.51929%0.287SS..G310 helixtrans61.528.9170.4-157.144.1000114.1E23 Q24 G28E23-N26 PolarHBondContact O-N 3.27Å; Q24-N26 VanDerWaalsContact C-N 3.3Å; Q24-N26 PolarHBondContact O-N 3.46Å; N26-G28 PolarHBondContact O-N 3.15Å
27H70.8Confident86.4Confident100 Ų10067.3 Ų67.346%0.46332%0.322SS..  trans-68.9-13.2178.9-70.9-75000112.6Q24 N25 R50 Y88Q24-H27 PolarHBondContact O-CD2 3.28Å; N25-H27 VanDerWaalsContact C-N 3.25Å; N25-H27 PolarHBondContact O-N 3.4Å; H27-R50 VanDerWaalsContact O-CZ 3.24Å; H27-R50 PolarHBondContact O-NE 3.23Å; H27-R50 PolarHBondContact O-NH2 3.39Å; H27-Y88 PolarHBondContact O-OH 2.63Å
28G84.2Confident86.4Confident1 Ų167.5 Ų67.51%0.0132%0.323CS..  trans130.5-153.7174.700000112.6E23 N26E23-G28 PolarHBondContact N-O 3.37Å; E23-G28 VanDerWaalsContact N-O 3.09Å; N26-G28 PolarHBondContact O-N 3.15Å
29F92.8Very high86.4Confident0 Ų066.8 Ų66.80%032%0.32CS..EExtended strand (participates in β ladder)trans-117.8133.7-164.5-66.6-89.5000112L20 H21 M22 R50 L51 V59 M62 F64 V67L20-F29 HydrophobicContact CD1-CB 4.03Å; L20-F29 HydrophobicContact CD1-CD1 4.3Å; L20-F29 HydrophobicContact CD2-CD1 3.74Å; L20-F29 HydrophobicContact CD2-CE1 4.22Å; L20-F29 HydrophobicContact CG-CD1 4.01Å; H21-F29 CarbonylContact O-C 3.55Å; H21-F29 WeakPolarHBondContact O-CA 3.41Å; M22-F29 HydrophobicContact CE-CE1 3.64Å; M22-F29 HydrophobicContact CE-CE2 4.06Å; M22-F29 HydrophobicContact CE-CZ 3.31Å; F29-R50 CarbonylContact O-C 2.97Å; F29-R50 WeakPolarHBondContact O-CA 3.27Å; F29-R50 VanDerWaalsContact O-CD 3.31Å; F29-R50 WeakPolarHBondContact O-CD 3.44Å; F29-L51 HydrophobicContact CB-CB 3.91Å; F29-L51 HydrophobicContact CB-CD2 4.26Å; F29-L51 PolarHBondContact O-N 3.32Å; F29-V59 HydrophobicContact CD2-CG2 4.25Å; F29-V59 WeakPolarHBondContact CE2-O 3.49Å; F29-M62 WeakPolarHBondContact CE2-O 3.33Å; F29-M62 VanDerWaalsContact CZ-O 3.32Å; F29-M62 WeakPolarHBondContact CZ-O 3.31Å; F29-F64 HydrophobicContact CD1-CD2 4.17Å; F29-F64 HydrophobicContact CE1-CB 4.26Å; F29-F64 AromaticContact CE1-CD2 3.67Å; F29-F64 HydrophobicContact CE1-CD2 3.67Å; F29-F64 HydrophobicContact CE1-CG 4.36Å; F29-V67 HydrophobicContact CD1-CB 4.38Å; F29-V67 HydrophobicContact CD1-CG1 4.23Å; F29-V67 HydrophobicContact CD1-CG2 4.48Å; F29-V67 HydrophobicContact CD2-CG2 4.28Å; F29-V67 HydrophobicContact CE1-CB 3.76Å; F29-V67 HydrophobicContact CE1-CG1 4.11Å; F29-V67 HydrophobicContact CE1-CG2 3.74Å; F29-V67 HydrophobicContact CE2-CB 4.45Å; F29-V67 HydrophobicContact CE2-CG2 3.59Å; F29-V67 HydrophobicContact CZ-CB 3.83Å; F29-V67 HydrophobicContact CZ-CG1 4.42Å; F29-V67 HydrophobicContact CZ-CG2 3.25Å
30I93.5Very high86.6Confident7 Ų764.8 Ų64.84%0.03631%0.311CS..EExtended strand (participates in β ladder)trans-118.8135.6-177.6-56.3174.4000109.5H21 E23 R32 E49H21-I30 PolarHBondContact N-O 3.2Å; H21-I30 PolarHBondContact O-N 2.91Å; E23-I30 HydrophobicContact CB-CD1 4.08Å; E23-I30 HydrophobicContact CG-CD1 4.2Å; E23-I30 WeakPolarHBondContact OE1-CD1 3.46Å; I30-R32 HydrophobicContact CG2-CG 4.31Å; I30-E49 WeakPolarHBondContact CA-O 3.42Å
31I95.1Very high86.8Confident0 Ų066.8 Ų66.80%032%0.319CS..EExtended strand (participates in β ladder)trans-75.9130.1168.8-53.6-55.5000109.3F18 L20 V34 L45 S47 G48 E49 L51 L80 V82F18-I31 HydrophobicContact CB-CG2 4.19Å; F18-I31 HydrophobicContact CD2-CD1 3.98Å; F18-I31 HydrophobicContact CD2-CG2 4.32Å; F18-I31 HydrophobicContact CE2-CD1 4.02Å; L20-I31 HydrophobicContact CD1-CD1 4.15Å; I31-V34 HydrophobicContact CG2-CG2 3.67Å; I31-L45 HydrophobicContact CD1-CD2 4.23Å; I31-L45 HydrophobicContact CG1-CD1 4.14Å; I31-L45 HydrophobicContact CG1-CD2 4.2Å; I31-L45 HydrophobicContact CG1-CG 4.27Å; I31-L45 HydrophobicContact CG2-CD2 3.59Å; I31-L45 HydrophobicContact CG2-CG 3.88Å; I31-S47 CarbonylContact O-C 3.58Å; I31-S47 WeakPolarHBondContact O-CA 3.12Å; I31-G48 PolarHBondContact O-N 3.11Å; I31-E49 PolarHBondContact N-O 3.34Å; I31-L51 HydrophobicContact CD1-CB 4.2Å; I31-L80 HydrophobicContact CD1-CD1 4.49Å; I31-V82 HydrophobicContact CG1-CG1 4.41Å
32R92.1Very high87.1Confident88 Ų8868.5 Ų68.533%0.33233%0.328SS..EExtended strand (participates in β ladder)trans-131.3163175.7-66.7-63.3-176.1163.52.9110.1H19 H21 I30 V34H19-R32 HydrophobicContact CB-CB 4.28Å; H19-R32 PolarHBondContact N-O 3.35Å; H19-R32 PolarHBondContact O-N 3.07Å; H21-R32 HydrophobicContact CB-CG 3.99Å; I30-R32 HydrophobicContact CG2-CG 4.31Å; R32-V34 VanDerWaalsContact C-N 3.32Å; R32-V34 PolarHBondContact O-N 3.03Å
33E91.5Very high87.5Confident109 Ų10967 Ų6751%0.50932%0.322SS..  trans46.655.4168-65.3167.7-141.100112.3H19 E35H19-E33 HydrophobicContact CB-CB 4.16Å; H19-E33 IonicContact CE1-OE2 3.3Å; H19-E33 PolarHBondContact CE1-OE2 3.25Å; H19-E33 IonicContact CG-OE2 2.74Å; H19-E33 IonicContact ND1-OE2 3.93Å; H19-E33 PolarHBondContact ND1-OE2 2.76Å; E33-E35 PolarHBondContact O-N 3.24Å
34V93.3Very high88.2Confident28 Ų2864.5 Ų64.517%0.1732%0.316CS..  trans-70.1115.9173.2178.70000107.5F18 I31 R32 A40 E41F18-V34 HydrophobicContact CB-CG2 4.37Å; I31-V34 HydrophobicContact CG2-CG2 3.67Å; R32-V34 VanDerWaalsContact C-N 3.32Å; R32-V34 PolarHBondContact O-N 3.03Å; V34-A40 HydrophobicContact CG1-CB 3.94Å; V34-E41 HydrophobicContact CG1-CB 3.89Å
35E91.3Very high89.4Confident51 Ų5156.6 Ų56.624%0.23828%0.279CS..  trans-74.2139.1-174.5-65.8178.7167.300111.2G17 E33 S38G17-E35 VanDerWaalsContact CA-OE2 3.3Å; G17-E35 WeakPolarHBondContact CA-OE2 3.32Å; G17-E35 PolarHBondContact O-N 3.4Å; E33-E35 PolarHBondContact O-N 3.24Å; E35-S38 WeakPolarHBondContact O-CB 3.2Å; E35-S38 PolarHBondContact O-N 3.37Å; E35-S38 PolarHBondContact O-OG 3.25Å
36P93.8Very high90.8Very high94 Ų9456 Ų5661%0.6127%0.266SS*.THydrogen-bonded Turntrans-58139.8173.3-24.534.6000112.2S38 E41P36-S38 PolarHBondContact O-N 2.97Å; P36-S38 VanDerWaalsContact O-N 3.16Å; P36-E41 WeakPolarHBondContact CA-OE2 3.26Å
37W92.4Very high92.5Very high206 Ų20654.6 Ų54.678%0.7826%0.264SS*.THydrogen-bonded Turntrans64.211.4178.6-40.9102.2000115E41 H42W37-E41 PolarHBondContact N-OE2 3.27Å; W37-H42 PolarHBondContact O-CE1 3.07Å; W37-H42 VanDerWaalsContact O-CE1 3.24Å
38S92.6Very high93.5Very high6 Ų650.3 Ų50.34%0.04225%0.246CC..SBendtrans-80162.9179.467.40000113.1G17 E35 P36 A40 E41 H42G17-S38 PolarHBondContact O-OG 3.41Å; E35-S38 WeakPolarHBondContact O-CB 3.2Å; E35-S38 PolarHBondContact O-N 3.37Å; E35-S38 PolarHBondContact O-OG 3.25Å; P36-S38 PolarHBondContact O-N 2.97Å; P36-S38 VanDerWaalsContact O-N 3.16Å; S38-A40 PolarHBondContact O-N 3.38Å; S38-A40 PolarHBondContact OG-N 3.38Å; S38-E41 PolarHBondContact O-N 3.45Å; S38-E41 PolarHBondContact OG-N 2.9Å; S38-E41 VanDerWaalsContact OG-N 3.11Å; S38-H42 PolarHBondContact O-N 2.84Å; S38-H42 PolarHBondContact O-ND1 2.85Å
39P94.2Very high94Very high9 Ų950.8 Ų50.86%0.05825%0.248CC..Hα-helixtrans-51.9-37167.4-3038.5000113.6L8 K9 R10 F16 S43L8-P39 HydrophobicContact CB-CB 4.36Å; K9-P39 WeakPolarHBondContact O-CB 3.21Å; R10-P39 HydrophobicContact CB-CG 3.98Å; F16-P39 HydrophobicContact CD1-CB 4.24Å; P39-S43 WeakPolarHBondContact O-CB 3.46Å; P39-S43 PolarHBondContact O-N 3.25Å
40A93.9Very high94.2Very high0 Ų051.2 Ų51.20%025%0.25CC..Hα-helixtrans-63.7-51.8176.600000112.2L8 F16 F18 V34 S38 H42 S43 L45L8-A40 VanDerWaalsContact CD2-CA 3.49Å; L8-A40 HydrophobicContact CD2-CB 3.74Å; F16-A40 WeakPolarHBondContact O-CB 3.16Å; F16-A40 PolarHBondContact O-N 3.42Å; F18-A40 HydrophobicContact CB-CB 3.96Å; F18-A40 HydrophobicContact CD1-CB 4.03Å; F18-A40 HydrophobicContact CG-CB 4.42Å; V34-A40 HydrophobicContact CG1-CB 3.94Å; S38-A40 PolarHBondContact O-N 3.38Å; S38-A40 PolarHBondContact OG-N 3.38Å; A40-H42 PolarHBondContact O-N 2.84Å; A40-S43 PolarHBondContact O-N 2.88Å; A40-S43 PolarHBondContact O-OG 3.02Å; A40-L45 HydrophobicContact CB-CB 4.24Å; A40-L45 HydrophobicContact CB-CD2 3.87Å; A40-L45 WeakPolarHBondContact O-CB 3.41Å; A40-L45 PolarHBondContact O-N 3.09Å; A40-L45 VanDerWaalsContact O-N 3.09Å
41E95.4Very high94.3Very high71 Ų7150.9 Ų50.933%0.33225%0.248SC..Hα-helixtrans-61.2-46-179.8-172.7179.2-123.100111.5V34 P36 W37 S38 S43 G44 R46V34-E41 HydrophobicContact CG1-CB 3.89Å; P36-E41 WeakPolarHBondContact CA-OE2 3.26Å; W37-E41 PolarHBondContact N-OE2 3.27Å; S38-E41 PolarHBondContact O-N 3.45Å; S38-E41 PolarHBondContact OG-N 2.9Å; S38-E41 VanDerWaalsContact OG-N 3.11Å; E41-S43 VanDerWaalsContact C-N 3.27Å; E41-S43 PolarHBondContact O-N 2.77Å; E41-G44 WeakPolarHBondContact O-CA 3.23Å; E41-G44 PolarHBondContact O-N 2.87Å; E41-R46 PolarHBondContact O-NH1 2.64Å
42H96.2Very high94.4Very high134 Ų13451 Ų5162%0.6225%0.249SC*.Hα-helixtrans-62-30.8178-67.9153.2000113.2W37 S38 A40 G44W37-H42 PolarHBondContact O-CE1 3.07Å; W37-H42 VanDerWaalsContact O-CE1 3.24Å; S38-H42 PolarHBondContact O-N 2.84Å; S38-H42 PolarHBondContact O-ND1 2.85Å; A40-H42 PolarHBondContact O-N 2.84Å; H42-G44 PolarHBondContact O-N 3.31Å
43S95.3Very high94.6Very high22 Ų2247.1 Ų47.115%0.15424%0.235CC..THydrogen-bonded Turntrans-72.2-5.6173.279.10000113.7R4 Q7 L8 P39 A40 E41 L45R4-S43 PolarHBondContact NH1-O 2.96Å; Q7-S43 WeakPolarHBondContact O-CB 3.37Å; L8-S43 WeakPolarHBondContact CD1-OG 3.12Å; L8-S43 WeakPolarHBondContact CG-OG 3.46Å; P39-S43 WeakPolarHBondContact O-CB 3.46Å; P39-S43 PolarHBondContact O-N 3.25Å; A40-S43 PolarHBondContact O-N 2.88Å; A40-S43 PolarHBondContact O-OG 3.02Å; E41-S43 VanDerWaalsContact C-N 3.27Å; E41-S43 PolarHBondContact O-N 2.77Å; S43-L45 VanDerWaalsContact C-N 3.34Å; S43-L45 PolarHBondContact OG-N 2.63Å
44G96.1Very high94.7Very high20 Ų2042 Ų4221%0.20621%0.211CC..THydrogen-bonded Turntrans83.16.7-173.800000113.6R4 E41 H42 R46R4-G44 VanDerWaalsContact CZ-O 3.25Å; R4-G44 PolarHBondContact NH1-O 3.18Å; R4-G44 PolarHBondContact NH2-O 2.74Å; E41-G44 WeakPolarHBondContact O-CA 3.23Å; E41-G44 PolarHBondContact O-N 2.87Å; H42-G44 PolarHBondContact O-N 3.31Å; G44-R46 VanDerWaalsContact CA-NH1 3.32Å; G44-R46 PolarHBondContact O-NH1 3.43Å
45L96.6Very high94.6Very high1 Ų140.9 Ų40.91%0.00520%0.204CC..  trans-60.7142.9176.7-158.772000110.2C6 L8 F18 I31 A40 S43 L80 V82C6-L45 HydrophobicContact CB-CD1 4.14Å; L8-L45 HydrophobicContact CD2-CD2 4.44Å; F18-L45 HydrophobicContact CB-CD2 4.09Å; F18-L45 HydrophobicContact CD1-CD2 4.16Å; F18-L45 HydrophobicContact CD2-CD2 4.42Å; F18-L45 HydrophobicContact CG-CD2 3.97Å; I31-L45 HydrophobicContact CD1-CD2 4.23Å; I31-L45 HydrophobicContact CG1-CD1 4.14Å; I31-L45 HydrophobicContact CG1-CD2 4.2Å; I31-L45 HydrophobicContact CG1-CG 4.27Å; I31-L45 HydrophobicContact CG2-CD2 3.59Å; I31-L45 HydrophobicContact CG2-CG 3.88Å; A40-L45 HydrophobicContact CB-CB 4.24Å; A40-L45 HydrophobicContact CB-CD2 3.87Å; A40-L45 WeakPolarHBondContact O-CB 3.41Å; A40-L45 PolarHBondContact O-N 3.09Å; A40-L45 VanDerWaalsContact O-N 3.09Å; S43-L45 VanDerWaalsContact C-N 3.34Å; S43-L45 PolarHBondContact OG-N 2.63Å; L45-L80 HydrophobicContact CD1-CD1 4.2Å; L45-L80 HydrophobicContact CD2-CD1 4.12Å; L45-V82 HydrophobicContact CD1-CG1 3.72Å; L45-V82 HydrophobicContact CD1-CG2 4.32Å
46R96.1Very high94.7Very high132 Ų13238.9 Ų38.950%0.49820%0.195SC..  trans-130.9144.1-179.3-59.7-65.7179.8-100.94.3111.3E41 G44 G48 E49E41-R46 PolarHBondContact O-NH1 2.64Å; G44-R46 VanDerWaalsContact CA-NH1 3.32Å; G44-R46 PolarHBondContact O-NH1 3.43Å; R46-G48 PolarHBondContact O-N 3.09Å; R46-E49 HydrophobicContact CB-CG 4.04Å; R46-E49 PolarHBondContact N-OE2 2.96Å; R46-E49 WeakPolarHBondContact O-CG 3.32Å; R46-E49 PolarHBondContact O-N 3.19Å
47S94.6Very high94.6Very high67 Ų6735.7 Ų35.747%0.46917%0.173SC..THydrogen-bonded Turntrans-61.2135.2171.4-173.80000110I31I31-S47 CarbonylContact O-C 3.58Å; I31-S47 WeakPolarHBondContact O-CA 3.12Å
48G92.8Very high94.7Very high10 Ų1027.9 Ų27.910%0.10314%0.144CC..THydrogen-bonded Turntrans95.3-11.9-177.500000115.1I31 R46I31-G48 PolarHBondContact O-N 3.11Å; R46-G48 PolarHBondContact O-N 3.09Å
49E95.4Very high94.7Very high11 Ų1127.6 Ų27.65%0.05114%0.142CC..PPolyproline II helixtrans-69.5144.5175-66.5-178.8132.400111.7R4 I30 I31 R46 V82 L83R4-E49 IonicContact CZ-OE1 3.66Å; R4-E49 IonicContact NE-OE1 3.7Å; R4-E49 VanDerWaalsContact NH2-CD 3.3Å; R4-E49 IonicContact NH2-OE1 3.48Å; R4-E49 PolarHBondContact NH2-OE1 2.88Å; R4-E49 IonicContact NH2-OE2 2.83Å; R4-E49 PolarHBondContact NH2-OE2 2.72Å; I30-E49 WeakPolarHBondContact CA-O 3.42Å; I31-E49 PolarHBondContact N-O 3.34Å; R46-E49 HydrophobicContact CB-CG 4.04Å; R46-E49 PolarHBondContact N-OE2 2.96Å; R46-E49 WeakPolarHBondContact O-CG 3.32Å; R46-E49 PolarHBondContact O-N 3.19Å; E49-V82 HydrophobicContact CB-CB 4.12Å; E49-V82 HydrophobicContact CB-CG2 4.42Å; E49-L83 CarbonylContact C-O 3.54Å; E49-L83 WeakPolarHBondContact CA-O 3.48Å
50R95.5Very high94.5Very high9 Ų927.9 Ų27.93%0.03415%0.147CC..EExtended strand (participates in β ladder)trans-83.2125.9175.2-164.172.2163.5-164.9-31.1110.1E23 H27 F29 L52 V82 L83 Y88E23-R50 IonicContact OE2-CZ 3.66Å; E23-R50 VanDerWaalsContact OE2-CZ 3.27Å; E23-R50 IonicContact OE2-NH1 3.72Å; E23-R50 PolarHBondContact OE2-NH1 3.16Å; E23-R50 IonicContact OE2-NH2 3.9Å; E23-R50 PolarHBondContact OE2-NH2 3.07Å; H27-R50 VanDerWaalsContact O-CZ 3.24Å; H27-R50 PolarHBondContact O-NE 3.23Å; H27-R50 PolarHBondContact O-NH2 3.39Å; F29-R50 CarbonylContact O-C 2.97Å; F29-R50 WeakPolarHBondContact O-CA 3.27Å; F29-R50 VanDerWaalsContact O-CD 3.31Å; F29-R50 WeakPolarHBondContact O-CD 3.44Å; R50-L52 HydrophobicContact CB-CD2 4.4Å; R50-L52 HydrophobicContact CG-CD2 3.93Å; R50-V82 CarbonylContact O-C 3.53Å; R50-V82 WeakPolarHBondContact O-CA 3.44Å; R50-V82 WeakPolarHBondContact O-CB 3.46Å; R50-L83 HydrophobicContact CB-CB 4.46Å; R50-L83 PolarHBondContact N-O 3.43Å; R50-L83 PolarHBondContact O-N 2.85Å; R50-Y88 HydrophobicContact CB-CD2 4.2Å; R50-Y88 HydrophobicContact CB-CG 4.17Å; R50-Y88 HydrophobicContact CG-CD1 4.45Å; R50-Y88 HydrophobicContact CG-CD2 3.73Å; R50-Y88 HydrophobicContact CG-CE2 3.89Å; R50-Y88 HydrophobicContact CG-CG 4.02Å; R50-Y88 PolarHBondContact NH2-OH 3.33Å
51L96.7Very high94.2Very high1 Ų133.2 Ų33.21%0.00518%0.175CC..EExtended strand (participates in β ladder)trans-81.1118.4172.1176.766000110.2L20 F29 I31 E53 V54 V59 V67 I71 L80 V82L20-L51 HydrophobicContact CD1-CD2 3.68Å; F29-L51 HydrophobicContact CB-CB 3.91Å; F29-L51 HydrophobicContact CB-CD2 4.26Å; F29-L51 PolarHBondContact O-N 3.32Å; I31-L51 HydrophobicContact CD1-CB 4.2Å; L51-E53 VanDerWaalsContact CD1-O 3.32Å; L51-E53 WeakPolarHBondContact CD1-O 3.47Å; L51-V54 HydrophobicContact CD1-CG2 4.19Å; L51-V54 HydrophobicContact CD2-CG2 3.81Å; L51-V54 HydrophobicContact CG-CG2 4.35Å; L51-V59 HydrophobicContact CD2-CG2 4.13Å; L51-V59 HydrophobicContact CG-CG2 3.88Å; L51-V67 HydrophobicContact CD2-CG1 4.02Å; L51-I71 HydrophobicContact CD2-CD1 4.35Å; L51-L80 HydrophobicContact CD1-CB 3.91Å; L51-L80 HydrophobicContact CD1-CD1 4.44Å; L51-L80 HydrophobicContact CD1-CD2 3.81Å; L51-L80 HydrophobicContact CD1-CG 4.26Å; L51-V82 HydrophobicContact CD1-CG1 4.29Å
52L96.3Very high94Very high3 Ų331.2 Ų31.22%0.01617%0.166CC..EExtended strand (participates in β ladder)trans-101.2-42.5179.4-56.4-168.9000112.4P3 R50 Y58 V59 L81 L83 I98 A102P3-L52 HydrophobicContact CB-CD1 4.1Å; P3-L52 HydrophobicContact CG-CD1 4.03Å; R50-L52 HydrophobicContact CB-CD2 4.4Å; R50-L52 HydrophobicContact CG-CD2 3.93Å; L52-Y58 WeakPolarHBondContact O-CA 3.18Å; L52-Y58 VanDerWaalsContact O-CD2 3.28Å; L52-Y58 WeakPolarHBondContact O-CD2 3.41Å; L52-V59 WeakPolarHBondContact O-CG2 3.37Å; L52-V59 PolarHBondContact O-N 2.88Å; L52-L81 WeakPolarHBondContact CA-O 3.47Å; L52-L81 HydrophobicContact CB-CD2 4.43Å; L52-L81 WeakPolarHBondContact CB-O 3.46Å; L52-L81 PolarHBondContact N-O 2.95Å; L52-L83 HydrophobicContact CD1-CB 3.91Å; L52-L83 HydrophobicContact CD1-CD2 4.42Å; L52-L83 HydrophobicContact CD2-CB 4.47Å; L52-L83 HydrophobicContact CG-CB 4.19Å; L52-I98 HydrophobicContact CD1-CG2 4.13Å; L52-I98 HydrophobicContact CD2-CG2 3.59Å; L52-I98 HydrophobicContact CG-CG2 4.48Å; L52-A102 HydrophobicContact CD1-CB 4.39Å
53E96Very high93.5Very high5 Ų528.4 Ų28.42%0.02316%0.156CC..EExtended strand (participates in β ladder)trans-137.1146.9-179.8-51.1-167.9148.600112.9L51 E56 T57 L80 L81 A102 K106L51-E53 VanDerWaalsContact CD1-O 3.32Å; L51-E53 WeakPolarHBondContact CD1-O 3.47Å; E53-E56 WeakPolarHBondContact OE2-CA 3Å; E53-T57 CarbonylContact C-O 3.58Å; E53-T57 WeakPolarHBondContact CA-O 3.35Å; E53-T57 WeakPolarHBondContact CB-O 3.18Å; E53-L80 WeakPolarHBondContact O-CA 3.14Å; E53-L81 HydrophobicContact CB-CB 3.68Å; E53-L81 HydrophobicContact CG-CB 3.9Å; E53-L81 HydrophobicContact CG-CD2 3.81Å; E53-L81 PolarHBondContact N-O 3.33Å; E53-L81 PolarHBondContact O-N 2.87Å; E53-A102 HydrophobicContact CG-CB 4.23Å; E53-K106 WeakPolarHBondContact OE1-CE 3.4Å; E53-K106 IonicContact OE1-NZ 2.74Å; E53-K106 PolarHBondContact OE1-NZ 3.42Å; E53-K106 WeakPolarHBondContact OE2-CE 3.32Å; E53-K106 IonicContact OE2-NZ 3.63Å; E53-K106 PolarHBondContact OE2-NZ 3.15Å
54V94.3Very high93.1Very high1 Ų129.6 Ų29.61%0.00616%0.158CC..EExtended strand (participates in β ladder)trans-118.5121.3167.9177.40000108.4L51 E56 T57 V59 V67 K70 I71 L78 L80L51-V54 HydrophobicContact CD1-CG2 4.19Å; L51-V54 HydrophobicContact CD2-CG2 3.81Å; L51-V54 HydrophobicContact CG-CG2 4.35Å; V54-E56 PolarHBondContact O-N 3.45Å; V54-T57 PolarHBondContact N-O 2.76Å; V54-T57 WeakPolarHBondContact O-CB 3.41Å; V54-T57 PolarHBondContact O-N 2.77Å; V54-V59 HydrophobicContact CB-CG1 4.05Å; V54-V59 HydrophobicContact CG2-CG1 3.85Å; V54-V59 HydrophobicContact CG2-CG2 4.46Å; V54-V67 HydrophobicContact CG2-CG1 4.14Å; V54-K70 HydrophobicContact CB-CB 4.39Å; V54-K70 HydrophobicContact CG1-CB 3.86Å; V54-I71 HydrophobicContact CG1-CG1 3.89Å; V54-I71 HydrophobicContact CG2-CD1 4.23Å; V54-I71 HydrophobicContact CG2-CG1 3.91Å; V54-L78 HydrophobicContact CG1-CD1 3.89Å; V54-L80 HydrophobicContact CB-CD2 4.48Å; V54-L80 HydrophobicContact CG1-CD2 4.43Å; V54-L80 HydrophobicContact CG2-CD2 3.94Å
55N91.8Very high92.3Very high6 Ų633 Ų333%0.03217%0.168CC..THydrogen-bonded Turntrans47.544.8-177.7-74.3-0.4000112.5T57 C74 F79 R112 L212N55-T57 VanDerWaalsContact C-N 3.26Å; N55-T57 PolarHBondContact O-N 3.38Å; N55-C74 WeakPolarHBondContact ND2-CB 2.89Å; N55-F79 PolarHBondContact N-O 3.27Å; N55-F79 PolarHBondContact OD1-N 3.05Å; N55-R112 PolarHBondContact O-NH2 3.37Å; N55-L212 HydrophobicContact CB-CD2 3.73Å
56E92.1Very high91.6Very high9 Ų937.2 Ų37.24%0.04219%0.186CC..THydrogen-bonded Turntrans71.66.7-179.5-48.2-176.8122.800116.3E53 V54 K106 W110 R112 Y201 R204 M206E53-E56 WeakPolarHBondContact OE2-CA 3Å; V54-E56 PolarHBondContact O-N 3.45Å; E56-K106 PolarHBondContact O-NZ 2.57Å; E56-K106 VanDerWaalsContact O-NZ 3.14Å; E56-W110 HydrophobicContact CB-CH2 4.03Å; E56-W110 HydrophobicContact CB-CZ2 4.3Å; E56-W110 VanDerWaalsContact CD-CZ2 3.47Å; E56-W110 HydrophobicContact CG-CZ2 4.41Å; E56-W110 VanDerWaalsContact OE1-CZ2 3.29Å; E56-W110 WeakPolarHBondContact OE1-CZ2 3.45Å; E56-R112 IonicContact OE2-NE 3.07Å; E56-Y201 WeakPolarHBondContact OE1-CE1 3.47Å; E56-Y201 PolarHBondContact OE1-OH 2.79Å; E56-Y201 VanDerWaalsContact OE1-OH 3.1Å; E56-Y201 PolarHBondContact OE2-OH 2.85Å; E56-R204 IonicContact OE1-CZ 3.83Å; E56-R204 IonicContact OE1-NH1 3.63Å; E56-R204 PolarHBondContact OE1-NH1 3.36Å; E56-R204 IonicContact OE1-NH2 2.88Å; E56-M206 HydrophobicContact CG-CE 3.85Å; E56-M206 WeakPolarHBondContact OE1-CE 3.45Å
57T91.9Very high91.2Very high26 Ų2630.9 Ų30.916%0.1616%0.162CC..EExtended strand (participates in β ladder)trans-96.2122.8169.5-64.30000109.7E53 V54 N55 V59 M62 K70 R112E53-T57 CarbonylContact C-O 3.58Å; E53-T57 WeakPolarHBondContact CA-O 3.35Å; E53-T57 WeakPolarHBondContact CB-O 3.18Å; V54-T57 PolarHBondContact N-O 2.76Å; V54-T57 WeakPolarHBondContact O-CB 3.41Å; V54-T57 PolarHBondContact O-N 2.77Å; N55-T57 VanDerWaalsContact C-N 3.26Å; N55-T57 PolarHBondContact O-N 3.38Å; T57-V59 WeakPolarHBondContact O-CG1 3.44Å; T57-V59 PolarHBondContact O-N 2.83Å; T57-M62 HydrophobicContact CG2-CE 3.4Å; T57-M62 VanDerWaalsContact CG2-CE 3.4Å; T57-M62 HydrophobicContact CG2-SD 4.31Å; T57-K70 HydrophobicContact CG2-CD 4.41Å; T57-R112 VanDerWaalsContact N-NH2 3.2Å; T57-R112 PolarHBondContact OG1-NH2 3.35Å
58Y94.3Very high90.7Very high42 Ų4229.3 Ų29.317%0.16515%0.149CC..EExtended strand (participates in β ladder)trans-60.3132.1171.2-175.6-102.4000111.4L52 M62 I98 Q99 A102L52-Y58 WeakPolarHBondContact O-CA 3.18Å; L52-Y58 VanDerWaalsContact O-CD2 3.28Å; L52-Y58 WeakPolarHBondContact O-CD2 3.41Å; Y58-M62 VanDerWaalsContact O-CE 3.27Å; Y58-M62 WeakPolarHBondContact O-CE 3.41Å; Y58-I98 HydrophobicContact CE2-CG2 4.41Å; Y58-Q99 HydrophobicContact CD1-CB 4.29Å; Y58-Q99 HydrophobicContact CD1-CG 3.87Å; Y58-Q99 HydrophobicContact CD2-CB 4.27Å; Y58-Q99 HydrophobicContact CD2-CG 4.05Å; Y58-Q99 HydrophobicContact CE1-CB 4.02Å; Y58-Q99 HydrophobicContact CE1-CG 4.12Å; Y58-Q99 HydrophobicContact CE2-CB 4.01Å; Y58-Q99 HydrophobicContact CE2-CG 4.29Å; Y58-Q99 HydrophobicContact CG-CB 4.4Å; Y58-Q99 HydrophobicContact CG-CG 3.82Å; Y58-A102 HydrophobicContact CD2-CB 4.18Å
59V93.8Very high89.8Confident0 Ų032.3 Ų32.30%016%0.158CC..  trans-116.8-4.7-174.5-63.50000114.4F29 L51 L52 V54 T57 N61 M62 V67F29-V59 HydrophobicContact CD2-CG2 4.25Å; F29-V59 WeakPolarHBondContact CE2-O 3.49Å; L51-V59 HydrophobicContact CD2-CG2 4.13Å; L51-V59 HydrophobicContact CG-CG2 3.88Å; L52-V59 WeakPolarHBondContact O-CG2 3.37Å; L52-V59 PolarHBondContact O-N 2.88Å; V54-V59 HydrophobicContact CB-CG1 4.05Å; V54-V59 HydrophobicContact CG2-CG1 3.85Å; V54-V59 HydrophobicContact CG2-CG2 4.46Å; T57-V59 WeakPolarHBondContact O-CG1 3.44Å; T57-V59 PolarHBondContact O-N 2.83Å; V59-N61 PolarHBondContact O-N 3.27Å; V59-M62 HydrophobicContact CB-SD 4.42Å; V59-M62 HydrophobicContact CG1-SD 4.02Å; V59-M62 WeakPolarHBondContact O-CB 3.47Å; V59-M62 PolarHBondContact O-N 3.41Å; V59-V67 HydrophobicContact CB-CG1 4.29Å; V59-V67 HydrophobicContact CB-CG2 3.68Å; V59-V67 HydrophobicContact CG1-CG1 4.23Å; V59-V67 HydrophobicContact CG1-CG2 3.94Å; V59-V67 HydrophobicContact CG2-CG1 4.4Å; V59-V67 HydrophobicContact CG2-CG2 4.49Å
60G89.8Confident89.3Confident16 Ų1634.6 Ų34.617%0.16517%0.167CC..THydrogen-bonded Turntrans-58.4-23.1-172.100000115.5
61N88.4Confident88.8Confident112 Ų11235 Ų3560%0.59917%0.17SC*.THydrogen-bonded Turntrans-112.912.6177.866.4-21.8000113.8V59V59-N61 PolarHBondContact O-N 3.27Å
62M89.9Confident87.8Confident29 Ų2938.4 Ų38.414%0.14319%0.186CC..SBendtrans-89.7152.3-179.9-67.4-167.2172.400111.9F29 T57 Y58 V59 K66 V67 K70F29-M62 WeakPolarHBondContact CE2-O 3.33Å; F29-M62 VanDerWaalsContact CZ-O 3.32Å; F29-M62 WeakPolarHBondContact CZ-O 3.31Å; T57-M62 HydrophobicContact CG2-CE 3.4Å; T57-M62 VanDerWaalsContact CG2-CE 3.4Å; T57-M62 HydrophobicContact CG2-SD 4.31Å; Y58-M62 VanDerWaalsContact O-CE 3.27Å; Y58-M62 WeakPolarHBondContact O-CE 3.41Å; V59-M62 HydrophobicContact CB-SD 4.42Å; V59-M62 HydrophobicContact CG1-SD 4.02Å; V59-M62 WeakPolarHBondContact O-CB 3.47Å; V59-M62 PolarHBondContact O-N 3.41Å; M62-K66 HydrophobicContact CB-CD 4.45Å; M62-K66 HydrophobicContact CG-CD 4.35Å; M62-K66 HydrophobicContact SD-CD 4.07Å; M62-K66 HydrophobicContact SD-CG 4.15Å; M62-V67 HydrophobicContact CB-CG2 3.64Å; M62-K70 HydrophobicContact SD-CD 4.1Å
63D86.9Confident86.7Confident74 Ų7438.6 Ų38.640%0.39619%0.187SC..  trans-65.8151.7170.173.1-89.7000111.2F65 K66 V67D63-F65 VanDerWaalsContact C-N 3.26Å; D63-F65 PolarHBondContact O-N 2.8Å; D63-F65 WeakPolarHBondContact OD2-CA 3.47Å; D63-F65 WeakPolarHBondContact OD2-CB 3.25Å; D63-F65 PolarHBondContact OD2-N 2.92Å; D63-F65 VanDerWaalsContact OD2-N 3.09Å; D63-K66 VanDerWaalsContact CG-CB 3.47Å; D63-K66 PolarHBondContact O-N 2.89Å; D63-K66 VanDerWaalsContact O-N 3.16Å; D63-K66 WeakPolarHBondContact OD1-CB 3.41Å; D63-K66 WeakPolarHBondContact OD2-CB 3.32Å; D63-K66 PolarHBondContact OD2-N 2.97Å; D63-V67 PolarHBondContact O-N 2.74Å
64F85.2Confident85.7Confident48 Ų4838.4 Ų38.421%0.21119%0.187CC..Hα-helixtrans-55.4-43.9-175-179.5-102.1000112.4L20 M22 F29 K66 V67 V68L20-F64 HydrophobicContact CB-CE2 4.4Å; L20-F64 HydrophobicContact CD2-CE2 4.1Å; L20-F64 HydrophobicContact CG-CE2 4.18Å; M22-F64 HydrophobicContact CB-CD2 3.81Å; M22-F64 HydrophobicContact CB-CE2 4.45Å; M22-F64 HydrophobicContact CE-CB 3.6Å; M22-F64 HydrophobicContact SD-CB 4.04Å; F29-F64 HydrophobicContact CD1-CD2 4.17Å; F29-F64 HydrophobicContact CE1-CB 4.26Å; F29-F64 AromaticContact CE1-CD2 3.67Å; F29-F64 HydrophobicContact CE1-CD2 3.67Å; F29-F64 HydrophobicContact CE1-CG 4.36Å; F64-K66 PolarHBondContact O-N 2.69Å; F64-V67 PolarHBondContact O-N 3.47Å; F64-V68 HydrophobicContact CD1-CG2 4Å; F64-V68 HydrophobicContact CE1-CG2 3.6Å; F64-V68 HydrophobicContact CE2-CG2 4.17Å; F64-V68 HydrophobicContact CG-CG2 4.45Å; F64-V68 HydrophobicContact CZ-CG2 3.69Å; F64-V68 WeakPolarHBondContact O-CG2 3.45Å; F64-V68 PolarHBondContact O-N 2.94Å
65F79.9Confident85Confident91 Ų9138.6 Ų38.640%0.39919%0.189SC..Hα-helixtrans-71.2-30.8-175.5-54.2-49.8000112.6D63 R69 I333D63-F65 VanDerWaalsContact C-N 3.26Å; D63-F65 PolarHBondContact O-N 2.8Å; D63-F65 WeakPolarHBondContact OD2-CA 3.47Å; D63-F65 WeakPolarHBondContact OD2-CB 3.25Å; D63-F65 PolarHBondContact OD2-N 2.92Å; D63-F65 VanDerWaalsContact OD2-N 3.09Å; F65-R69 WeakPolarHBondContact O-CB 3.41Å; F65-R69 WeakPolarHBondContact O-CG 3.34Å; F65-R69 PolarHBondContact O-N 3.14Å; F65-R69 PolarHBondContact O-NE 3.25Å; F65-I333 HydrophobicContact CB-CD1 4.46Å; F65-I333 HydrophobicContact CD1-CD1 3.05Å; F65-I333 HydrophobicContact CD1-CG1 3.33Å; F65-I333 HydrophobicContact CD2-CD1 3.97Å; F65-I333 HydrophobicContact CE1-CB 4.05Å; F65-I333 HydrophobicContact CE1-CD1 3Å; F65-I333 HydrophobicContact CE1-CG1 3.19Å; F65-I333 HydrophobicContact CE1-CG2 3.72Å; F65-I333 HydrophobicContact CE2-CD1 3.9Å; F65-I333 HydrophobicContact CG-CD1 3.56Å; F65-I333 HydrophobicContact CG-CG1 4.29Å; F65-I333 HydrophobicContact CZ-CD1 3.43Å; F65-I333 VanDerWaalsContact CZ-CD1 3.43Å; F65-I333 HydrophobicContact CZ-CG1 4.04Å; F65-I333 HydrophobicContact CZ-CG2 4.17Å
66K82.1Confident84.5Confident89 Ų8941.2 Ų41.239%0.38720%0.203SC..Hα-helixtrans-68.6-35.8172.7-177.4174.1-174.3175.10112.1M62 D63 F64 K70M62-K66 HydrophobicContact CB-CD 4.45Å; M62-K66 HydrophobicContact CG-CD 4.35Å; M62-K66 HydrophobicContact SD-CD 4.07Å; M62-K66 HydrophobicContact SD-CG 4.15Å; D63-K66 VanDerWaalsContact CG-CB 3.47Å; D63-K66 PolarHBondContact O-N 2.89Å; D63-K66 VanDerWaalsContact O-N 3.16Å; D63-K66 WeakPolarHBondContact OD1-CB 3.41Å; D63-K66 WeakPolarHBondContact OD2-CB 3.32Å; D63-K66 PolarHBondContact OD2-N 2.97Å; F64-K66 PolarHBondContact O-N 2.69Å; K66-K70 WeakPolarHBondContact O-CG 3.45Å; K66-K70 PolarHBondContact O-N 3.3Å; K66-K70 VanDerWaalsContact O-N 3.09Å
67V87.4Confident84.3Confident0 Ų043 Ų430%021%0.212CC..Hα-helixtrans-70.1-46.6174.6-178.80000111.3L20 F29 L51 V54 V59 M62 D63 F64 R69 K70 I71L20-V67 HydrophobicContact CD2-CB 4.42Å; L20-V67 HydrophobicContact CD2-CG1 3.75Å; F29-V67 HydrophobicContact CD1-CB 4.38Å; F29-V67 HydrophobicContact CD1-CG1 4.23Å; F29-V67 HydrophobicContact CD1-CG2 4.48Å; F29-V67 HydrophobicContact CD2-CG2 4.28Å; F29-V67 HydrophobicContact CE1-CB 3.76Å; F29-V67 HydrophobicContact CE1-CG1 4.11Å; F29-V67 HydrophobicContact CE1-CG2 3.74Å; F29-V67 HydrophobicContact CE2-CB 4.45Å; F29-V67 HydrophobicContact CE2-CG2 3.59Å; F29-V67 HydrophobicContact CZ-CB 3.83Å; F29-V67 HydrophobicContact CZ-CG1 4.42Å; F29-V67 HydrophobicContact CZ-CG2 3.25Å; L51-V67 HydrophobicContact CD2-CG1 4.02Å; V54-V67 HydrophobicContact CG2-CG1 4.14Å; V59-V67 HydrophobicContact CB-CG1 4.29Å; V59-V67 HydrophobicContact CB-CG2 3.68Å; V59-V67 HydrophobicContact CG1-CG1 4.23Å; V59-V67 HydrophobicContact CG1-CG2 3.94Å; V59-V67 HydrophobicContact CG2-CG1 4.4Å; V59-V67 HydrophobicContact CG2-CG2 4.49Å; M62-V67 HydrophobicContact CB-CG2 3.64Å; D63-V67 PolarHBondContact O-N 2.74Å; F64-V67 PolarHBondContact O-N 3.47Å; V67-R69 VanDerWaalsContact C-N 3.29Å; V67-R69 PolarHBondContact O-N 2.67Å; V67-K70 WeakPolarHBondContact O-CB 2.85Å; V67-K70 PolarHBondContact O-N 3.38Å; V67-K70 VanDerWaalsContact O-N 3.15Å; V67-I71 HydrophobicContact CG1-CD1 4.12Å; V67-I71 WeakPolarHBondContact O-CG1 3.18Å; V67-I71 PolarHBondContact O-N 3.17Å; V67-I71 VanDerWaalsContact O-N 3.07Å
68V83.6Confident84.2Confident33 Ų3341.8 Ų41.820%0.221%0.205CC..Hα-helixtrans-55.6-46.9175.11700000110.6L20 F64 K70 I71 Q72L20-V68 HydrophobicContact CD2-CG2 4.27Å; F64-V68 HydrophobicContact CD1-CG2 4Å; F64-V68 HydrophobicContact CE1-CG2 3.6Å; F64-V68 HydrophobicContact CE2-CG2 4.17Å; F64-V68 HydrophobicContact CG-CG2 4.45Å; F64-V68 HydrophobicContact CZ-CG2 3.69Å; F64-V68 WeakPolarHBondContact O-CG2 3.45Å; F64-V68 PolarHBondContact O-N 2.94Å; V68-K70 PolarHBondContact O-N 3.07Å; V68-I71 PolarHBondContact O-N 2.96Å; V68-I71 VanDerWaalsContact O-N 3.13Å; V68-Q72 HydrophobicContact CG1-CG 4.24Å; V68-Q72 WeakPolarHBondContact O-CG 3.02Å; V68-Q72 PolarHBondContact O-N 2.77Å
69R75Confident84.2Confident74 Ų7439.9 Ų39.928%0.27920%0.198SC..Hα-helixtrans-56.2-49.5175.4-79.2-177.2-80.6176.8-4.8112.7F65 V67 I71 Q72 S73 C329 L330F65-R69 WeakPolarHBondContact O-CB 3.41Å; F65-R69 WeakPolarHBondContact O-CG 3.34Å; F65-R69 PolarHBondContact O-N 3.14Å; F65-R69 PolarHBondContact O-NE 3.25Å; V67-R69 VanDerWaalsContact C-N 3.29Å; V67-R69 PolarHBondContact O-N 2.67Å; R69-I71 PolarHBondContact O-N 3.09Å; R69-Q72 PolarHBondContact O-N 2.98Å; R69-Q72 VanDerWaalsContact O-N 3.15Å; R69-S73 WeakPolarHBondContact O-CB 3.35Å; R69-S73 PolarHBondContact O-N 2.97Å; R69-S73 PolarHBondContact O-OG 2.78Å; R69-C329 WeakPolarHBondContact CD-O 3.21Å; R69-C329 WeakPolarHBondContact CG-O 3.06Å; R69-L330 VanDerWaalsContact CD-CG 3.47Å; R69-L330 HydrophobicContact CG-CD2 4.43Å; R69-L330 VanDerWaalsContact NH1-CD2 3.33Å
70K83.6Confident84.4Confident58 Ų5839.9 Ų39.925%0.25220%0.198SC..Hα-helixtrans-56.6-37.2178.1-78179170.4-65.40112.8V54 T57 M62 K66 V67 V68 S73 C74V54-K70 HydrophobicContact CB-CB 4.39Å; V54-K70 HydrophobicContact CG1-CB 3.86Å; T57-K70 HydrophobicContact CG2-CD 4.41Å; M62-K70 HydrophobicContact SD-CD 4.1Å; K66-K70 WeakPolarHBondContact O-CG 3.45Å; K66-K70 PolarHBondContact O-N 3.3Å; K66-K70 VanDerWaalsContact O-N 3.09Å; V67-K70 WeakPolarHBondContact O-CB 2.85Å; V67-K70 PolarHBondContact O-N 3.38Å; V67-K70 VanDerWaalsContact O-N 3.15Å; V68-K70 PolarHBondContact O-N 3.07Å; K70-S73 PolarHBondContact O-OG 3.21Å; K70-C74 PolarHBondContact O-N 3.22Å
71I85.9Confident84.7Confident17 Ų1739.3 Ų39.39%0.08719%0.191CC..Hα-helixtrans-71.7-45.9177.1-67.9166.8000110.5F18 L20 L51 V54 V67 V68 R69 S73 C74 L78F18-I71 HydrophobicContact CE2-CD1 4.39Å; F18-I71 HydrophobicContact CZ-CD1 4.16Å; F18-I71 HydrophobicContact CZ-CG2 4.06Å; L20-I71 HydrophobicContact CD2-CD1 3.98Å; L51-I71 HydrophobicContact CD2-CD1 4.35Å; V54-I71 HydrophobicContact CG1-CG1 3.89Å; V54-I71 HydrophobicContact CG2-CD1 4.23Å; V54-I71 HydrophobicContact CG2-CG1 3.91Å; V67-I71 HydrophobicContact CG1-CD1 4.12Å; V67-I71 WeakPolarHBondContact O-CG1 3.18Å; V67-I71 PolarHBondContact O-N 3.17Å; V67-I71 VanDerWaalsContact O-N 3.07Å; V68-I71 PolarHBondContact O-N 2.96Å; V68-I71 VanDerWaalsContact O-N 3.13Å; R69-I71 PolarHBondContact O-N 3.09Å; I71-S73 VanDerWaalsContact C-N 3.25Å; I71-S73 PolarHBondContact O-N 2.95Å; I71-C74 PolarHBondContact O-N 2.92Å; I71-C74 PolarHBondContact O-SG 3Å; I71-L78 HydrophobicContact CG1-CD1 4.4Å; I71-L78 HydrophobicContact CG2-CD2 3.85Å
72Q75.9Confident85.1Confident73 Ų7334 Ų3434%0.34116%0.162SC..Hα-helixtrans-63.8-35.6179.2-69.6171.5-42.700112.1V68 R69 C74 C329 V331V68-Q72 HydrophobicContact CG1-CG 4.24Å; V68-Q72 WeakPolarHBondContact O-CG 3.02Å; V68-Q72 PolarHBondContact O-N 2.77Å; R69-Q72 PolarHBondContact O-N 2.98Å; R69-Q72 VanDerWaalsContact O-N 3.15Å; Q72-C74 VanDerWaalsContact C-N 3.31Å; Q72-C74 PolarHBondContact O-N 3.16Å; Q72-C329 HydrophobicContact CB-CB 4.15Å; Q72-V331 PolarHBondContact NE2-O 3.28Å; Q72-V331 PolarHBondContact OE1-O 3.44Å
73S72.4Confident85.4Confident7 Ų732.7 Ų32.75%0.04916%0.156CC..THydrogen-bonded Turntrans-87.32.9-173.591.50000113.4R69 K70 I71 G75 Q326R69-S73 WeakPolarHBondContact O-CB 3.35Å; R69-S73 PolarHBondContact O-N 2.97Å; R69-S73 PolarHBondContact O-OG 2.78Å; K70-S73 PolarHBondContact O-OG 3.21Å; I71-S73 VanDerWaalsContact C-N 3.25Å; I71-S73 PolarHBondContact O-N 2.95Å; S73-G75 VanDerWaalsContact C-N 3.28Å; S73-G75 PolarHBondContact O-N 3.23Å; S73-Q326 VanDerWaalsContact O-CA 3.3Å; S73-Q326 WeakPolarHBondContact O-CA 3.42Å; S73-Q326 WeakPolarHBondContact O-CB 3.34Å; S73-Q326 WeakPolarHBondContact O-CG 3.29Å
74C76.3Confident85.9Confident1 Ų136.4 Ų36.41%0.00716%0.164CC..THydrogen-bonded Turntrans-74.5-16.3-17773.40000114F16 N55 K70 I71 Q72 L78F16-C74 VanDerWaalsContact CE2-SG 3.5Å; F16-C74 WeakPolarHBondContact CZ-SG 3.48Å; N55-C74 WeakPolarHBondContact ND2-CB 2.89Å; K70-C74 PolarHBondContact O-N 3.22Å; I71-C74 PolarHBondContact O-N 2.92Å; I71-C74 PolarHBondContact O-SG 3Å; Q72-C74 VanDerWaalsContact C-N 3.31Å; Q72-C74 PolarHBondContact O-N 3.16Å; C74-L78 HydrophobicContact CB-CB 4.46Å; C74-L78 HydrophobicContact CB-CD1 3.84Å
75G77.8Confident86.2Confident5 Ų538.8 Ų38.85%0.05217%0.172CC..THydrogen-bonded Turntrans84-129.8-171.900000112.6R10 S73R10-G75 PolarHBondContact NE-O 2.61Å; R10-G75 PolarHBondContact NH2-O 3.48Å; S73-G75 VanDerWaalsContact C-N 3.28Å; S73-G75 PolarHBondContact O-N 3.23Å
76L82.9Confident86.9Confident62 Ų6240.3 Ų40.333%0.32518%0.18SC..THydrogen-bonded Turntrans-98.5-20.6-175.4-60.7-178.8000113.5K9 R10 E12K9-L76 WeakPolarHBondContact CA-O 3.02Å; R10-L76 HydrophobicContact CG-CD2 4.22Å; R10-L76 PolarHBondContact N-O 2.8Å; E12-L76 HydrophobicContact CB-CD2 4.41Å
77D86.6Confident87.5Confident46 Ų4637.9 Ų37.925%0.24617%0.17CC..EExtended strand (participates in β ladder)trans-113.2119.4178.6-71.5-94.1000109.2Q7 K9 F79 L209Q7-D77 PolarHBondContact NE2-OD1 2.79Å; K9-D77 WeakPolarHBondContact CE-OD1 3.36Å; K9-D77 WeakPolarHBondContact CG-OD1 3.24Å; D77-F79 HydrophobicContact CB-CE2 3.99Å; D77-F79 HydrophobicContact CB-CZ 4.38Å; D77-L209 HydrophobicContact CB-CD1 4.43Å
78L90.8Very high87.8Confident0 Ų039.5 Ų39.50%018%0.177CC..EExtended strand (participates in β ladder)trans-118.8129177.7177.264000110.1L8 F16 F18 V54 I71 C74 L80L8-L78 HydrophobicContact CB-CB 4.25Å; L8-L78 HydrophobicContact CD2-CD2 4.38Å; L8-L78 PolarHBondContact N-O 2.97Å; L8-L78 PolarHBondContact O-N 3.05Å; F16-L78 HydrophobicContact CD1-CB 4.29Å; F16-L78 HydrophobicContact CD1-CD2 4.27Å; F16-L78 HydrophobicContact CD2-CD2 3.87Å; F16-L78 HydrophobicContact CE1-CB 3.63Å; F16-L78 HydrophobicContact CE1-CD2 4.33Å; F16-L78 HydrophobicContact CE2-CB 4.1Å; F16-L78 HydrophobicContact CE2-CD2 3.94Å; F16-L78 HydrophobicContact CG-CD2 4.04Å; F16-L78 HydrophobicContact CZ-CB 3.53Å; F16-L78 HydrophobicContact CZ-CD2 4.18Å; F16-L78 HydrophobicContact CZ-CG 4.48Å; F18-L78 HydrophobicContact CE1-CD2 3.97Å; F18-L78 HydrophobicContact CZ-CD2 4.14Å; V54-L78 HydrophobicContact CG1-CD1 3.89Å; I71-L78 HydrophobicContact CG1-CD1 4.4Å; I71-L78 HydrophobicContact CG2-CD2 3.85Å; C74-L78 HydrophobicContact CB-CB 4.46Å; C74-L78 HydrophobicContact CB-CD1 3.84Å; L78-L80 HydrophobicContact CD1-CD2 3.77Å; L78-L80 HydrophobicContact CD2-CD1 4.2Å; L78-L80 HydrophobicContact CD2-CD2 3.93Å; L78-L80 HydrophobicContact CD2-CG 4.12Å; L78-L80 HydrophobicContact CG-CD2 3.74Å; L78-L80 HydrophobicContact CG-CG 3.97Å
79F94.1Very high88.2Confident3 Ų342.9 Ų42.91%0.01319%0.19CC..EExtended strand (participates in β ladder)trans-111.6114.4177.7-59.7-89.5000109.5L5 C6 Q7 N55 D77 M206 P207 L209 L212L5-F79 HydrophobicContact CD1-CB 4.24Å; C6-F79 WeakPolarHBondContact O-CA 3.11Å; Q7-F79 HydrophobicContact CB-CD1 4.09Å; Q7-F79 HydrophobicContact CB-CE1 3.99Å; Q7-F79 HydrophobicContact CG-CD1 4.06Å; Q7-F79 HydrophobicContact CG-CE1 3.57Å; Q7-F79 HydrophobicContact CG-CZ 4.09Å; N55-F79 PolarHBondContact N-O 3.27Å; N55-F79 PolarHBondContact OD1-N 3.05Å; D77-F79 HydrophobicContact CB-CE2 3.99Å; D77-F79 HydrophobicContact CB-CZ 4.38Å; F79-M206 HydrophobicContact CB-CE 4.21Å; F79-M206 HydrophobicContact CD1-CE 3.78Å; F79-M206 HydrophobicContact CD1-CG 4.46Å; F79-M206 HydrophobicContact CE1-CE 4.27Å; F79-M206 HydrophobicContact CG-CE 3.9Å; F79-P207 HydrophobicContact CE1-CG 4.2Å; F79-P207 HydrophobicContact CZ-CG 3.62Å; F79-L209 HydrophobicContact CE2-CD1 4.13Å; F79-L209 HydrophobicContact CZ-CD1 4.28Å; F79-L212 HydrophobicContact CD2-CD1 4.13Å; F79-L212 HydrophobicContact CD2-CD2 3.91Å; F79-L212 HydrophobicContact CD2-CG 4.49Å; F79-L212 HydrophobicContact CE2-CD1 3.94Å; F79-L212 HydrophobicContact CE2-CD2 4.32Å; F79-L212 HydrophobicContact CE2-CG 4.45Å; F79-L212 HydrophobicContact CZ-CD1 4.41Å
80L96.9Very high89.1Confident0 Ų044.4 Ų44.40%020%0.2CC..EExtended strand (participates in β ladder)trans-111.2126.1178.2-56-177.2000109.5L5 C6 L8 F18 I31 L45 L51 E53 V54 L78 V82L5-L80 CarbonylContact C-O 3.54Å; L5-L80 WeakPolarHBondContact CA-O 3.37Å; C6-L80 HydrophobicContact CB-CB 4.38Å; C6-L80 PolarHBondContact N-O 2.99Å; C6-L80 PolarHBondContact O-N 2.93Å; L8-L80 HydrophobicContact CD1-CD1 4.02Å; L8-L80 HydrophobicContact CD1-CG 4.12Å; L8-L80 HydrophobicContact CD2-CD1 4.47Å; F18-L80 HydrophobicContact CE1-CD1 4.23Å; F18-L80 HydrophobicContact CE2-CD1 4.48Å; F18-L80 HydrophobicContact CZ-CD1 3.97Å; I31-L80 HydrophobicContact CD1-CD1 4.49Å; L45-L80 HydrophobicContact CD1-CD1 4.2Å; L45-L80 HydrophobicContact CD2-CD1 4.12Å; L51-L80 HydrophobicContact CD1-CB 3.91Å; L51-L80 HydrophobicContact CD1-CD1 4.44Å; L51-L80 HydrophobicContact CD1-CD2 3.81Å; L51-L80 HydrophobicContact CD1-CG 4.26Å; E53-L80 WeakPolarHBondContact O-CA 3.14Å; V54-L80 HydrophobicContact CB-CD2 4.48Å; V54-L80 HydrophobicContact CG1-CD2 4.43Å; V54-L80 HydrophobicContact CG2-CD2 3.94Å; L78-L80 HydrophobicContact CD1-CD2 3.77Å; L78-L80 HydrophobicContact CD2-CD1 4.2Å; L78-L80 HydrophobicContact CD2-CD2 3.93Å; L78-L80 HydrophobicContact CD2-CG 4.12Å; L78-L80 HydrophobicContact CG-CD2 3.74Å; L78-L80 HydrophobicContact CG-CG 3.97Å; L80-V82 HydrophobicContact CB-CG1 4.22Å
81L97.3Very high89.5Confident3 Ų341.6 Ų41.62%0.01619%0.188CC..EExtended strand (participates in β ladder)trans-92.8119.3165.9-165.974.9000107.9P3 R4 L5 L52 E53 A102 T105P3-L81 HydrophobicContact CB-CD1 4.01Å; P3-L81 HydrophobicContact CB-CD2 3.98Å; P3-L81 HydrophobicContact CB-CG 3.82Å; R4-L81 WeakPolarHBondContact O-CA 3.33Å; L5-L81 HydrophobicContact CB-CD1 4.29Å; L5-L81 HydrophobicContact CD1-CD1 4.48Å; L52-L81 WeakPolarHBondContact CA-O 3.47Å; L52-L81 HydrophobicContact CB-CD2 4.43Å; L52-L81 WeakPolarHBondContact CB-O 3.46Å; L52-L81 PolarHBondContact N-O 2.95Å; E53-L81 HydrophobicContact CB-CB 3.68Å; E53-L81 HydrophobicContact CG-CB 3.9Å; E53-L81 HydrophobicContact CG-CD2 3.81Å; E53-L81 PolarHBondContact N-O 3.33Å; E53-L81 PolarHBondContact O-N 2.87Å; L81-A102 HydrophobicContact CD2-CB 3.79Å; L81-T105 HydrophobicContact CD1-CG2 4.48Å; L81-T105 HydrophobicContact CD2-CG2 4.34Å
82V97.2Very high89.8Confident1 Ų144.2 Ų44.21%0.00621%0.205CC..EExtended strand (participates in β ladder)trans-123.2154.2-177-61.20000112.3P3 R4 I31 L45 E49 R50 L51 L80P3-V82 CarbonylContact C-O 3.6Å; P3-V82 VanDerWaalsContact CA-O 3.27Å; P3-V82 WeakPolarHBondContact CA-O 3.38Å; R4-V82 HydrophobicContact CB-CG2 4.41Å; R4-V82 PolarHBondContact N-O 2.92Å; R4-V82 PolarHBondContact O-N 3.25Å; I31-V82 HydrophobicContact CG1-CG1 4.41Å; L45-V82 HydrophobicContact CD1-CG1 3.72Å; L45-V82 HydrophobicContact CD1-CG2 4.32Å; E49-V82 HydrophobicContact CB-CB 4.12Å; E49-V82 HydrophobicContact CB-CG2 4.42Å; R50-V82 CarbonylContact O-C 3.53Å; R50-V82 WeakPolarHBondContact O-CA 3.44Å; R50-V82 WeakPolarHBondContact O-CB 3.46Å; L51-V82 HydrophobicContact CD1-CG1 4.29Å; L80-V82 HydrophobicContact CB-CG1 4.22Å
83L96.4Very high90.6Very high1 Ų146.9 Ų46.91%0.00523%0.226CC..EExtended strand (participates in β ladder)trans-125.9140.2174.4-173.163.4000109.3P3 E49 R50 L52 E87 Y88 L101P3-L83 HydrophobicContact CG-CD1 4.22Å; E49-L83 CarbonylContact C-O 3.54Å; E49-L83 WeakPolarHBondContact CA-O 3.48Å; R50-L83 HydrophobicContact CB-CB 4.46Å; R50-L83 PolarHBondContact N-O 3.43Å; R50-L83 PolarHBondContact O-N 2.85Å; L52-L83 HydrophobicContact CD1-CB 3.91Å; L52-L83 HydrophobicContact CD1-CD2 4.42Å; L52-L83 HydrophobicContact CD2-CB 4.47Å; L52-L83 HydrophobicContact CG-CB 4.19Å; L83-E87 HydrophobicContact CD1-CB 3.77Å; L83-E87 HydrophobicContact CD2-CB 4.5Å; L83-E87 HydrophobicContact CG-CB 3.97Å; L83-Y88 HydrophobicContact CD2-CD2 4.23Å; L83-L101 HydrophobicContact CD2-CD2 3.98Å
84R95.8Very high91.7Very high153 Ų15351.3 Ų51.358%0.57725%0.247SC*.  trans-62.9151.3177.1-66.8-177.9176.9174.50.9110.5E86 E87 Y88R84-E86 VanDerWaalsContact C-N 3.34Å; R84-E86 PolarHBondContact O-N 3.41Å; R84-E87 HydrophobicContact CB-CB 4.33Å; R84-E87 HydrophobicContact CB-CG 4.14Å; R84-E87 PolarHBondContact O-N 2.91Å; R84-Y88 WeakPolarHBondContact O-CB 3.32Å; R84-Y88 PolarHBondContact O-N 3.27Å
85R92.7Very high92.5Very high97 Ų9758.6 Ų58.637%0.36629%0.286SS..Hα-helixtrans-54.7-51.8-178.5178-178.7-64.4170.13.5111.2E87 Y88 E89R85-E87 VanDerWaalsContact C-N 3.27Å; R85-E87 PolarHBondContact O-N 3.29Å; R85-Y88 PolarHBondContact O-N 3.1Å; R85-Y88 VanDerWaalsContact O-N 3.12Å; R85-E89 WeakPolarHBondContact CD-OE1 3.31Å; R85-E89 HydrophobicContact CG-CG 4.29Å; R85-E89 WeakPolarHBondContact CG-OE1 3.18Å; R85-E89 WeakPolarHBondContact O-CG 3.27Å; R85-E89 PolarHBondContact O-N 3.47Å
86E94.1Very high93.3Very high123 Ų12361.5 Ų61.558%0.57530%0.3SS*.Hα-helixtrans-63.8-37.9-174.8-5673.3-157.200110.7R84 Q90R84-E86 VanDerWaalsContact C-N 3.34Å; R84-E86 PolarHBondContact O-N 3.41Å; E86-Q90 VanDerWaalsContact O-CB 3.28Å; E86-Q90 WeakPolarHBondContact O-CB 3.47Å; E86-Q90 PolarHBondContact O-N 2.98Å
87E95.3Very high93.8Very high39 Ų3962.1 Ų62.118%0.18230%0.303CS..Hα-helixtrans-70.5-35.7176.6-66-173.8110.300112.5M1 V2 L83 R84 R85 A91M1-E87 WeakPolarHBondContact CA-OE1 2.96Å; M1-E87 HydrophobicContact CG-CB 4.15Å; M1-E87 PolarHBondContact N-OE1 3.2Å; V2-E87 PolarHBondContact N-OE1 2.87Å; V2-E87 VanDerWaalsContact N-OE1 3.08Å; L83-E87 HydrophobicContact CD1-CB 3.77Å; L83-E87 HydrophobicContact CD2-CB 4.5Å; L83-E87 HydrophobicContact CG-CB 3.97Å; R84-E87 HydrophobicContact CB-CB 4.33Å; R84-E87 HydrophobicContact CB-CG 4.14Å; R84-E87 PolarHBondContact O-N 2.91Å; R85-E87 VanDerWaalsContact C-N 3.27Å; R85-E87 PolarHBondContact O-N 3.29Å; E87-A91 WeakPolarHBondContact O-CB 3.38Å; E87-A91 PolarHBondContact O-N 2.97Å
88Y92.9Very high94.1Very high33 Ų3360.8 Ų60.813%0.12930%0.296CS..Hα-helixtrans-69.1-46.8175.6176.8-96.1000111.2H27 R50 L83 R84 R85 Q90 A91 V92 I98H27-Y88 PolarHBondContact O-OH 2.63Å; R50-Y88 HydrophobicContact CB-CD2 4.2Å; R50-Y88 HydrophobicContact CB-CG 4.17Å; R50-Y88 HydrophobicContact CG-CD1 4.45Å; R50-Y88 HydrophobicContact CG-CD2 3.73Å; R50-Y88 HydrophobicContact CG-CE2 3.89Å; R50-Y88 HydrophobicContact CG-CG 4.02Å; R50-Y88 PolarHBondContact NH2-OH 3.33Å; L83-Y88 HydrophobicContact CD2-CD2 4.23Å; R84-Y88 WeakPolarHBondContact O-CB 3.32Å; R84-Y88 PolarHBondContact O-N 3.27Å; R85-Y88 PolarHBondContact O-N 3.1Å; R85-Y88 VanDerWaalsContact O-N 3.12Å; Y88-Q90 VanDerWaalsContact C-N 3.29Å; Y88-Q90 PolarHBondContact O-N 2.96Å; Y88-A91 WeakPolarHBondContact O-CB 3.38Å; Y88-A91 PolarHBondContact O-N 2.74Å; Y88-A91 VanDerWaalsContact O-N 3.1Å; Y88-V92 HydrophobicContact CD1-CG2 4.19Å; Y88-V92 HydrophobicContact CE1-CG2 3.71Å; Y88-V92 HydrophobicContact CE2-CG2 4.21Å; Y88-V92 WeakPolarHBondContact O-CG2 3.35Å; Y88-V92 PolarHBondContact O-N 2.83Å; Y88-I98 HydrophobicContact CD2-CD1 4.3Å; Y88-I98 HydrophobicContact CE2-CD1 4.27Å; Y88-I98 HydrophobicContact CE2-CG1 4.07Å; Y88-I98 HydrophobicContact CE2-CG2 4.32Å
89E92Very high94.2Very high105 Ų10564.1 Ų64.149%0.49131%0.312SS..Hα-helixtrans-58.1-44.4175.4-72.2170.5-179.700110.8R85 A91 V92 V93R85-E89 WeakPolarHBondContact CD-OE1 3.31Å; R85-E89 HydrophobicContact CG-CG 4.29Å; R85-E89 WeakPolarHBondContact CG-OE1 3.18Å; R85-E89 WeakPolarHBondContact O-CG 3.27Å; R85-E89 PolarHBondContact O-N 3.47Å; E89-A91 PolarHBondContact O-N 2.78Å; E89-V92 PolarHBondContact O-N 3.32Å; E89-V93 WeakPolarHBondContact O-CG2 3.16Å; E89-V93 PolarHBondContact O-N 3.27Å
90Q94.3Very high94.2Very high105 Ų10570.7 Ų70.749%0.49134%0.34SS..Hα-helixtrans-60.6-43.6173.6-174.4177.413.700112M1 E86 Y88 V92 V93 M94M1-Q90 HydrophobicContact SD-CG 4.45Å; E86-Q90 VanDerWaalsContact O-CB 3.28Å; E86-Q90 WeakPolarHBondContact O-CB 3.47Å; E86-Q90 PolarHBondContact O-N 2.98Å; Y88-Q90 VanDerWaalsContact C-N 3.29Å; Y88-Q90 PolarHBondContact O-N 2.96Å; Q90-V92 VanDerWaalsContact C-N 3.31Å; Q90-V92 PolarHBondContact O-N 3.01Å; Q90-V93 PolarHBondContact O-N 3.39Å; Q90-M94 HydrophobicContact CG-CG 4.47Å; Q90-M94 HydrophobicContact CG-SD 3.8Å; Q90-M94 WeakPolarHBondContact O-CB 3.47Å; Q90-M94 VanDerWaalsContact O-CG 3.25Å; Q90-M94 WeakPolarHBondContact O-CG 3.35Å; Q90-M94 PolarHBondContact O-N 3.42Å
91A93Very high94Very high0 Ų072.3 Ų72.30%035%0.349CS..Hα-helixtrans-61.9-39.2177.900000112.3M1 E87 Y88 E89 M94 D95 L96 I98M1-A91 VanDerWaalsContact SD-CA 3.55Å; M1-A91 HydrophobicContact SD-CB 3.5Å; M1-A91 WeakPolarHBondContact SD-CB 3.45Å; E87-A91 WeakPolarHBondContact O-CB 3.38Å; E87-A91 PolarHBondContact O-N 2.97Å; Y88-A91 WeakPolarHBondContact O-CB 3.38Å; Y88-A91 PolarHBondContact O-N 2.74Å; Y88-A91 VanDerWaalsContact O-N 3.1Å; E89-A91 PolarHBondContact O-N 2.78Å; A91-M94 PolarHBondContact O-N 2.8Å; A91-D95 PolarHBondContact O-N 2.88Å; A91-L96 HydrophobicContact CB-CB 4.31Å; A91-L96 HydrophobicContact CB-CD1 4.35Å; A91-L96 WeakPolarHBondContact O-CB 3.12Å; A91-L96 PolarHBondContact O-N 2.85Å; A91-I98 HydrophobicContact CB-CD1 3.41Å; A91-I98 VanDerWaalsContact CB-CD1 3.41Å
92V90.3Very high93.8Very high72 Ų7272.2 Ų72.244%0.43635%0.348SS..Hα-helixtrans-67.2-44.8176.4171.20000111.1Y88 E89 Q90 M94 D95Y88-V92 HydrophobicContact CD1-CG2 4.19Å; Y88-V92 HydrophobicContact CE1-CG2 3.71Å; Y88-V92 HydrophobicContact CE2-CG2 4.21Å; Y88-V92 WeakPolarHBondContact O-CG2 3.35Å; Y88-V92 PolarHBondContact O-N 2.83Å; E89-V92 PolarHBondContact O-N 3.32Å; Q90-V92 VanDerWaalsContact C-N 3.31Å; Q90-V92 PolarHBondContact O-N 3.01Å; V92-M94 PolarHBondContact O-N 3.42Å; V92-D95 PolarHBondContact O-N 3.21Å
93V93.8Very high93.6Very high128 Ų12877.9 Ų77.978%0.77637%0.373SS*.Hα-helixtrans-61.2-34.4176.1169.90000111.7E89 Q90 D95E89-V93 WeakPolarHBondContact O-CG2 3.16Å; E89-V93 PolarHBondContact O-N 3.27Å; Q90-V93 PolarHBondContact O-N 3.39Å; V93-D95 VanDerWaalsContact C-N 3.26Å; V93-D95 PolarHBondContact O-N 3.06Å
94M95.4Very high93.3Very high101 Ų10181.1 Ų81.150%0.49840%0.4SS..THydrogen-bonded Turntrans-83.24.9177.6-68.1176.965.700113.9M1 Q90 A91 V92 L96M1-M94 HydrophobicContact CE-CE 4.19Å; M1-M94 HydrophobicContact CE-SD 3.9Å; Q90-M94 HydrophobicContact CG-CG 4.47Å; Q90-M94 HydrophobicContact CG-SD 3.8Å; Q90-M94 WeakPolarHBondContact O-CB 3.47Å; Q90-M94 VanDerWaalsContact O-CG 3.25Å; Q90-M94 WeakPolarHBondContact O-CG 3.35Å; Q90-M94 PolarHBondContact O-N 3.42Å; A91-M94 PolarHBondContact O-N 2.8Å; V92-M94 PolarHBondContact O-N 3.42Å; M94-L96 HydrophobicContact CB-CD1 4.35Å; M94-L96 HydrophobicContact CB-CD2 4.43Å; M94-L96 HydrophobicContact CB-CG 3.87Å; M94-L96 HydrophobicContact CE-CD1 4.5Å; M94-L96 PolarHBondContact O-N 3.33Å
95D93.6Very high93.1Very high153 Ų15375.8 Ų75.882%0.81839%0.385SS*.THydrogen-bonded Turntrans51.739.5-176.7-163.335.4000113.3A91 V92 V93A91-D95 PolarHBondContact O-N 2.88Å; V92-D95 PolarHBondContact O-N 3.21Å; V93-D95 VanDerWaalsContact C-N 3.26Å; V93-D95 PolarHBondContact O-N 3.06Å
96L93.6Very high92.9Very high67 Ų6772 Ų7235%0.35137%0.37SS..  trans-81.5138.3179.1-63.1-174.2000111.7M1 A91 M94 I98M1-L96 HydrophobicContact CE-CD1 3.2Å; M1-L96 HydrophobicContact SD-CD1 3.71Å; A91-L96 HydrophobicContact CB-CB 4.31Å; A91-L96 HydrophobicContact CB-CD1 4.35Å; A91-L96 WeakPolarHBondContact O-CB 3.12Å; A91-L96 PolarHBondContact O-N 2.85Å; M94-L96 HydrophobicContact CB-CD1 4.35Å; M94-L96 HydrophobicContact CB-CD2 4.43Å; M94-L96 HydrophobicContact CB-CG 3.87Å; M94-L96 HydrophobicContact CE-CD1 4.5Å; M94-L96 PolarHBondContact O-N 3.33Å; L96-I98 PolarHBondContact O-N 2.9Å
97D93.3Very high92.5Very high74 Ų7468 Ų6840%0.39636%0.362SS..  trans-69.899.1169.7-176.9-24.4000110.1Q99 K100 L101D97-Q99 PolarHBondContact O-N 3.06Å; D97-Q99 WeakPolarHBondContact OD1-CA 3.24Å; D97-Q99 WeakPolarHBondContact OD1-CB 3.29Å; D97-Q99 PolarHBondContact OD1-N 2.6Å; D97-K100 HydrophobicContact CB-CB 4Å; D97-K100 HydrophobicContact CB-CD 3.92Å; D97-K100 HydrophobicContact CB-CG 4.11Å; D97-K100 PolarHBondContact O-N 3.27Å; D97-K100 VanDerWaalsContact O-N 3.14Å; D97-K100 PolarHBondContact OD1-N 3.42Å; D97-K100 VanDerWaalsContact OD2-CD 3.24Å; D97-K100 WeakPolarHBondContact OD2-CD 3.36Å; D97-K100 WeakPolarHBondContact OD2-CE 3.5Å; D97-K100 VanDerWaalsContact OD2-CG 3.29Å; D97-K100 WeakPolarHBondContact OD2-CG 3.41Å; D97-K100 IonicContact OD2-NZ 3.04Å; D97-L101 PolarHBondContact O-N 3.35Å
98I93.3Very high91.9Very high18 Ų1874.3 Ų74.39%0.09240%0.397CS..Hα-helixtrans-61.4-30.5-179.1-52-58.3000111.8L52 Y58 Y88 A91 L96 L101 A102L52-I98 HydrophobicContact CD1-CG2 4.13Å; L52-I98 HydrophobicContact CD2-CG2 3.59Å; L52-I98 HydrophobicContact CG-CG2 4.48Å; Y58-I98 HydrophobicContact CE2-CG2 4.41Å; Y88-I98 HydrophobicContact CD2-CD1 4.3Å; Y88-I98 HydrophobicContact CE2-CD1 4.27Å; Y88-I98 HydrophobicContact CE2-CG1 4.07Å; Y88-I98 HydrophobicContact CE2-CG2 4.32Å; A91-I98 HydrophobicContact CB-CD1 3.41Å; A91-I98 VanDerWaalsContact CB-CD1 3.41Å; L96-I98 PolarHBondContact O-N 2.9Å; I98-L101 PolarHBondContact O-N 2.88Å; I98-A102 PolarHBondContact O-N 3.31Å
99Q93.4Very high91.6Very high71 Ų7181.3 Ų81.333%0.33242%0.423SS..Hα-helixtrans-70.7-40.5177.1-171.1178.911.800110.7Y58 D97 A102 K103Y58-Q99 HydrophobicContact CD1-CB 4.29Å; Y58-Q99 HydrophobicContact CD1-CG 3.87Å; Y58-Q99 HydrophobicContact CD2-CB 4.27Å; Y58-Q99 HydrophobicContact CD2-CG 4.05Å; Y58-Q99 HydrophobicContact CE1-CB 4.02Å; Y58-Q99 HydrophobicContact CE1-CG 4.12Å; Y58-Q99 HydrophobicContact CE2-CB 4.01Å; Y58-Q99 HydrophobicContact CE2-CG 4.29Å; Y58-Q99 HydrophobicContact CG-CB 4.4Å; Y58-Q99 HydrophobicContact CG-CG 3.82Å; D97-Q99 PolarHBondContact O-N 3.06Å; D97-Q99 WeakPolarHBondContact OD1-CA 3.24Å; D97-Q99 WeakPolarHBondContact OD1-CB 3.29Å; D97-Q99 PolarHBondContact OD1-N 2.6Å; Q99-A102 PolarHBondContact O-N 2.98Å; Q99-K103 WeakPolarHBondContact O-CG 3.42Å; Q99-K103 PolarHBondContact O-N 3.38Å
100K93.1Very high91.5Very high141 Ų14178.7 Ų78.761%0.61341%0.409SS*.Hα-helixtrans-63.9-40171.1-75.5177.3-168.4164.60111.8D97 A102 K103 A104D97-K100 HydrophobicContact CB-CB 4Å; D97-K100 HydrophobicContact CB-CD 3.92Å; D97-K100 HydrophobicContact CB-CG 4.11Å; D97-K100 PolarHBondContact O-N 3.27Å; D97-K100 VanDerWaalsContact O-N 3.14Å; D97-K100 PolarHBondContact OD1-N 3.42Å; D97-K100 VanDerWaalsContact OD2-CD 3.24Å; D97-K100 WeakPolarHBondContact OD2-CD 3.36Å; D97-K100 WeakPolarHBondContact OD2-CE 3.5Å; D97-K100 VanDerWaalsContact OD2-CG 3.29Å; D97-K100 WeakPolarHBondContact OD2-CG 3.41Å; D97-K100 IonicContact OD2-NZ 3.04Å; K100-A102 VanDerWaalsContact C-N 3.34Å; K100-A102 PolarHBondContact O-N 2.83Å; K100-K103 PolarHBondContact O-N 3.39Å; K100-A104 WeakPolarHBondContact O-CB 3.47Å; K100-A104 PolarHBondContact O-N 2.91Å
101L93.3Very high91.4Very high34 Ų3476.2 Ų76.218%0.17840%0.402CS..Hα-helixtrans-59.2-44.9174.8-178.166.6000111.6M1 P3 L83 D97 I98 A104M1-L101 HydrophobicContact CB-CD2 4.35Å; P3-L101 HydrophobicContact CG-CD2 4.21Å; P3-L101 HydrophobicContact CG-CG 3.94Å; L83-L101 HydrophobicContact CD2-CD2 3.98Å; D97-L101 PolarHBondContact O-N 3.35Å; I98-L101 PolarHBondContact O-N 2.88Å; L101-A104 PolarHBondContact O-N 3.13Å
102A93.4Very high91.4Very high0 Ų078.5 Ų78.50%041%0.41CS..Hα-helixtrans-62.1-45.4175.600000111.9L52 E53 Y58 L81 I98 Q99 K100 A104 T105L52-A102 HydrophobicContact CD1-CB 4.39Å; E53-A102 HydrophobicContact CG-CB 4.23Å; Y58-A102 HydrophobicContact CD2-CB 4.18Å; L81-A102 HydrophobicContact CD2-CB 3.79Å; I98-A102 PolarHBondContact O-N 3.31Å; Q99-A102 PolarHBondContact O-N 2.98Å; K100-A102 VanDerWaalsContact C-N 3.34Å; K100-A102 PolarHBondContact O-N 2.83Å; A102-A104 VanDerWaalsContact C-N 3.34Å; A102-A104 PolarHBondContact O-N 3.42Å; A102-T105 WeakPolarHBondContact O-CB 3.49Å; A102-T105 WeakPolarHBondContact O-CG2 3.25Å; A102-T105 PolarHBondContact O-N 3.29Å; A102-T105 PolarHBondContact O-OG1 3.13Å
103K92.2Very high91.6Very high120 Ų12075.1 Ų75.152%0.52239%0.389SS..Hα-helixtrans-62.1-38.6177.1-73.9177.5178.4-178.70112.9Q99 K100 T105 K106Q99-K103 WeakPolarHBondContact O-CG 3.42Å; Q99-K103 PolarHBondContact O-N 3.38Å; K100-K103 PolarHBondContact O-N 3.39Å; K103-T105 PolarHBondContact O-N 3.24Å; K103-T105 VanDerWaalsContact O-N 3.08Å; K103-K106 WeakPolarHBondContact O-CB 3.39Å; K103-K106 PolarHBondContact O-N 3.17Å
104A91.6Very high91.7Very high70 Ų7069.7 Ų69.758%0.57936%0.355SS*.Hα-helixtrans-59.4-23.3179.600000112.9K100 L101 A102 K106K100-A104 WeakPolarHBondContact O-CB 3.47Å; K100-A104 PolarHBondContact O-N 2.91Å; L101-A104 PolarHBondContact O-N 3.13Å; A102-A104 VanDerWaalsContact C-N 3.34Å; A102-A104 PolarHBondContact O-N 3.42Å; A104-K106 PolarHBondContact O-N 3.07Å
105T90.3Very high91.5Very high41 Ų4164.9 Ų64.925%0.25233%0.331SS..THydrogen-bonded Turntrans-65.7-15.8174.170.90000114P3 L81 A102 K103P3-T105 HydrophobicContact CB-CG2 3.96Å; P3-T105 HydrophobicContact CG-CG2 3.85Å; L81-T105 HydrophobicContact CD1-CG2 4.48Å; L81-T105 HydrophobicContact CD2-CG2 4.34Å; A102-T105 WeakPolarHBondContact O-CB 3.49Å; A102-T105 WeakPolarHBondContact O-CG2 3.25Å; A102-T105 PolarHBondContact O-N 3.29Å; A102-T105 PolarHBondContact O-OG1 3.13Å; K103-T105 PolarHBondContact O-N 3.24Å; K103-T105 VanDerWaalsContact O-N 3.08Å
106K90Very high91.5Very high16 Ų1657.6 Ų57.67%0.0729%0.292CS..THydrogen-bonded Turntrans-105.1-23.9-175.9-49.1179.1-175166.60112.8E53 E56 K103 A104 W110 C200E53-K106 WeakPolarHBondContact OE1-CE 3.4Å; E53-K106 IonicContact OE1-NZ 2.74Å; E53-K106 PolarHBondContact OE1-NZ 3.42Å; E53-K106 WeakPolarHBondContact OE2-CE 3.32Å; E53-K106 IonicContact OE2-NZ 3.63Å; E53-K106 PolarHBondContact OE2-NZ 3.15Å; E56-K106 PolarHBondContact O-NZ 2.57Å; E56-K106 VanDerWaalsContact O-NZ 3.14Å; K103-K106 WeakPolarHBondContact O-CB 3.39Å; K103-K106 PolarHBondContact O-N 3.17Å; A104-K106 PolarHBondContact O-N 3.07Å; K106-W110 HydrophobicContact CB-CB 3.79Å; K106-W110 HydrophobicContact CB-CD2 3.71Å; K106-W110 HydrophobicContact CB-CE3 4.1Å; K106-W110 HydrophobicContact CB-CG 3.57Å; K106-W110 HydrophobicContact CD-CD2 3.58Å; K106-W110 HydrophobicContact CD-CE3 3.41Å; K106-W110 VanDerWaalsContact CD-CE3 3.41Å; K106-W110 HydrophobicContact CD-CG 4.37Å; K106-W110 HydrophobicContact CD-CH2 3.72Å; K106-W110 HydrophobicContact CD-CZ2 3.88Å; K106-W110 HydrophobicContact CD-CZ3 3.49Å; K106-W110 VanDerWaalsContact CD-CZ3 3.49Å; K106-W110 HydrophobicContact CG-CD2 4.17Å; K106-W110 HydrophobicContact CG-CE3 4.36Å; K106-W110 HydrophobicContact CG-CG 4.47Å; K106-W110 WeakPolarHBondContact O-CB 3.25Å; K106-C200 PolarHBondContact O-SG 3.47Å
107G85.4Confident91.5Very high39 Ų3954.8 Ų54.840%0.40228%0.278SS..  trans91.2163.1-175.400000113.5R109 W110G107-R109 PolarHBondContact O-N 2.85Å; G107-W110 PolarHBondContact O-N 3.15Å
108D82.4Confident91.7Very high172 Ų17251.3 Ų51.392%0.9226%0.259SS*.THydrogen-bonded Turntrans-69.1-28.7-164.2-62.2-26.5000115
109R85.3Confident91.8Very high180 Ų18054.1 Ų54.168%0.67928%0.277SS*.THydrogen-bonded Turntrans-105.310.5-177.7-59.2-161.7-61.8-140.31.5113.9G107 T111 D196G107-R109 PolarHBondContact O-N 2.85Å; R109-T111 PolarHBondContact O-N 3.19Å; R109-D196 IonicContact CZ-OD2 3.07Å; R109-D196 IonicContact NE-OD2 2.72Å; R109-D196 PolarHBondContact NE-OD2 2.98Å; R109-D196 IonicContact NH2-OD1 3.4Å; R109-D196 PolarHBondContact NH2-OD1 2.58Å; R109-D196 IonicContact NH2-OD2 2.73Å; R109-D196 PolarHBondContact NH2-OD2 3.34Å
110W90.6Very high91.9Very high50 Ų5055 Ų5519%0.18928%0.277CS..  trans-68.4133.8-177.517486.5000111.7E56 K106 G107 R112 Y201E56-W110 HydrophobicContact CB-CH2 4.03Å; E56-W110 HydrophobicContact CB-CZ2 4.3Å; E56-W110 VanDerWaalsContact CD-CZ2 3.47Å; E56-W110 HydrophobicContact CG-CZ2 4.41Å; E56-W110 VanDerWaalsContact OE1-CZ2 3.29Å; E56-W110 WeakPolarHBondContact OE1-CZ2 3.45Å; K106-W110 HydrophobicContact CB-CB 3.79Å; K106-W110 HydrophobicContact CB-CD2 3.71Å; K106-W110 HydrophobicContact CB-CE3 4.1Å; K106-W110 HydrophobicContact CB-CG 3.57Å; K106-W110 HydrophobicContact CD-CD2 3.58Å; K106-W110 HydrophobicContact CD-CE3 3.41Å; K106-W110 VanDerWaalsContact CD-CE3 3.41Å; K106-W110 HydrophobicContact CD-CG 4.37Å; K106-W110 HydrophobicContact CD-CH2 3.72Å; K106-W110 HydrophobicContact CD-CZ2 3.88Å; K106-W110 HydrophobicContact CD-CZ3 3.49Å; K106-W110 VanDerWaalsContact CD-CZ3 3.49Å; K106-W110 HydrophobicContact CG-CD2 4.17Å; K106-W110 HydrophobicContact CG-CE3 4.36Å; K106-W110 HydrophobicContact CG-CG 4.47Å; K106-W110 WeakPolarHBondContact O-CB 3.25Å; G107-W110 PolarHBondContact O-N 3.15Å; W110-R112 HydrophobicContact CH2-CG 3.47Å; W110-R112 VanDerWaalsContact CH2-CG 3.47Å; W110-R112 HydrophobicContact CZ2-CG 3.78Å; W110-R112 HydrophobicContact CZ3-CG 4.36Å; W110-Y201 HydrophobicContact CZ2-CE2 4.36Å; W110-Y201 WeakPolarHBondContact CZ2-OH 3.5Å; W110-Y201 AromaticContact NE1-CD2 3.92Å; W110-Y201 AromaticContact NE1-CE2 3.26Å; W110-Y201 VanDerWaalsContact NE1-CE2 3.26Å; W110-Y201 AromaticContact NE1-CZ 3.82Å
111T92.4Very high92Very high54 Ų5451.9 Ų51.933%0.33127%0.265SS..  trans-129.4160.4168.770.10000110.2R109 R114 D194 S197R109-T111 PolarHBondContact O-N 3.19Å; T111-R114 PolarHBondContact OG1-NH1 2.69Å; T111-D194 PolarHBondContact OG1-OD2 3.33Å; T111-S197 PolarHBondContact N-OG 3.4Å; T111-S197 WeakPolarHBondContact O-CB 3.3Å; T111-S197 PolarHBondContact O-OG 3.42Å; T111-S197 PolarHBondContact OG1-OG 2.9Å
112R92.8Very high92Very high48 Ų4855.8 Ų55.818%0.18129%0.292CS..  trans-71.2152.1171.8-76.3179.9158.2169.8-7.7110.7N55 E56 T57 W110 L212 E214N55-R112 PolarHBondContact O-NH2 3.37Å; E56-R112 IonicContact OE2-NE 3.07Å; T57-R112 VanDerWaalsContact N-NH2 3.2Å; T57-R112 PolarHBondContact OG1-NH2 3.35Å; W110-R112 HydrophobicContact CH2-CG 3.47Å; W110-R112 VanDerWaalsContact CH2-CG 3.47Å; W110-R112 HydrophobicContact CZ2-CG 3.78Å; W110-R112 HydrophobicContact CZ3-CG 4.36Å; R112-L212 WeakPolarHBondContact CD-O 3.44Å; R112-E214 HydrophobicContact CB-CG 4Å
113P94.7Very high91.9Very high0 Ų062.5 Ų62.50%033%0.328CS..  trans-51.5153.3163.6-16.721.3000110L191 V192 I193 Y201 I208 A213 E214P113-L191 HydrophobicContact CB-CD1 3.8Å; P113-L191 HydrophobicContact CB-CG 4.43Å; P113-V192 CarbonylContact C-O 3.57Å; P113-V192 WeakPolarHBondContact CA-O 3.48Å; P113-I193 HydrophobicContact CG-CD1 4.05Å; P113-Y201 VanDerWaalsContact CD-CZ 3.44Å; P113-Y201 WeakPolarHBondContact CD-OH 3.27Å; P113-Y201 HydrophobicContact CG-CE1 4.43Å; P113-Y201 HydrophobicContact CG-CE2 4.14Å; P113-I208 HydrophobicContact CB-CG2 3.88Å; P113-I208 HydrophobicContact CG-CG2 3.64Å; P113-A213 HydrophobicContact CB-CB 4.02Å; P113-A213 CarbonylContact O-C 3.51Å; P113-A213 WeakPolarHBondContact O-CA 3.37Å; P113-A213 WeakPolarHBondContact O-CB 3.47Å; P113-E214 PolarHBondContact O-N 3.37Å
114R95.1Very high91.8Very high14 Ų1461.1 Ų61.15%0.05333%0.326CS..EExtended strand (participates in β ladder)trans-118.3125.6179-63170.9-71.4-83.34109.2T111 C116 G154 H156 D159 L191 V192 E214T111-R114 PolarHBondContact OG1-NH1 2.69Å; R114-C116 VanDerWaalsContact CB-SG 3.55Å; R114-G154 WeakPolarHBondContact CD-O 3.44Å; R114-G154 PolarHBondContact NE-O 3.44Å; R114-H156 PolarHBondContact NE-ND1 2.9Å; R114-H156 PolarHBondContact NH2-ND1 3.39Å; R114-D159 IonicContact CZ-OD2 2.78Å; R114-D159 IonicContact NE-OD2 2.69Å; R114-D159 IonicContact NH2-OD1 3.09Å; R114-D159 PolarHBondContact NH2-OD1 2.82Å; R114-D159 IonicContact NH2-OD2 3.55Å; R114-D159 PolarHBondContact NH2-OD2 2.83Å; R114-L191 WeakPolarHBondContact O-CA 3.36Å; R114-V192 HydrophobicContact CB-CG2 4.01Å; R114-V192 PolarHBondContact N-O 2.89Å; R114-V192 PolarHBondContact O-N 3.09Å; R114-E214 WeakPolarHBondContact CA-O 3.16Å
115L92.1Very high91.9Very high0 Ų058.7 Ų58.70%031%0.308CS..EExtended strand (participates in β ladder)trans-95.496.6171.4-176.273.4000107.7W163 T189 L190 L191 A213 E214 N216 L218 I320 I323L115-W163 HydrophobicContact CD1-CZ3 4.39Å; L115-T189 HydrophobicContact CD1-CG2 3.8Å; L115-T189 HydrophobicContact CG-CG2 4.07Å; L115-L190 CarbonylContact C-O 3.41Å; L115-L190 VanDerWaalsContact CA-O 3.29Å; L115-L190 WeakPolarHBondContact CA-O 3.33Å; L115-L191 HydrophobicContact CB-CD1 4.36Å; L115-L191 HydrophobicContact CD1-CB 4.49Å; L115-L191 HydrophobicContact CD1-CD1 4.5Å; L115-A213 HydrophobicContact CB-CB 3.98Å; L115-E214 PolarHBondContact N-O 2.83Å; L115-N216 PolarHBondContact O-N 2.89Å; L115-L218 HydrophobicContact CD2-CD1 4.22Å; L115-L218 HydrophobicContact CD2-CD2 4.09Å; L115-L218 HydrophobicContact CG-CD2 4.23Å; L115-I320 HydrophobicContact CD1-CD1 3.93Å; L115-I320 HydrophobicContact CD2-CD1 3.81Å; L115-I323 HydrophobicContact CD2-CD1 3.91Å
116C94.6Very high92.2Very high0 Ų057.3 Ų57.30%030%0.299CS..EExtended strand (participates in β ladder)trans-104.4126.4-170.8-55.60000110.2R114 A153 G154 V155 T189 L190R114-C116 VanDerWaalsContact CB-SG 3.55Å; C116-A153 WeakPolarHBondContact CB-O 3.46Å; C116-A153 PolarHBondContact SG-O 3.34Å; C116-G154 VanDerWaalsContact SG-C 3.54Å; C116-G154 PolarHBondContact SG-O 3.48Å; C116-G154 VanDerWaalsContact SG-O 3.37Å; C116-V155 HydrophobicContact CB-CG2 3.61Å; C116-T189 CarbonylContact O-C 3.59Å; C116-T189 VanDerWaalsContact O-CA 3.3Å; C116-T189 WeakPolarHBondContact O-CA 3.19Å; C116-L190 PolarHBondContact N-O 3.19Å; C116-L190 PolarHBondContact O-N 2.82Å
117H93.5Very high92.5Very high9 Ų956.7 Ų56.74%0.04230%0.297CS..EExtended strand (participates in β ladder)trans-101120169.7179.883.6000110.7A153 S187 T189 N216 N217 L218 Y312H117-A153 VanDerWaalsContact O-CB 3.29Å; H117-A153 WeakPolarHBondContact O-CB 3.46Å; H117-S187 WeakPolarHBondContact CE1-CB 3.44Å; H117-S187 PolarHBondContact CE1-OG 3.2Å; H117-T189 PolarHBondContact ND1-OG1 2.92Å; H117-N216 PolarHBondContact N-O 2.78Å; H117-N217 WeakPolarHBondContact CB-O 3.44Å; H117-N217 PolarHBondContact O-ND2 3.46Å; H117-L218 HydrophobicContact CB-CD2 4.1Å; H117-Y312 AromaticContact CE1-CE2 3.77Å; H117-Y312 AromaticContact ND1-CE2 3.69Å; H117-Y312 AromaticContact ND1-CZ 3.88Å; H117-Y312 PolarHBondContact ND1-OH 2.88Å
118I96.3Very high93Very high0 Ų056.1 Ų56.10%028%0.284CS..EExtended strand (participates in β ladder)trans-107.7121.2-175.3-50.4168.4000108L126 M128 P149 A150 A153 V155 S187 V188 L190I118-L126 HydrophobicContact CB-CD2 4.39Å; I118-L126 HydrophobicContact CG2-CB 4.36Å; I118-L126 HydrophobicContact CG2-CD2 3.93Å; I118-M128 HydrophobicContact CD1-CE 3.71Å; I118-M128 HydrophobicContact CD1-SD 3.64Å; I118-P149 HydrophobicContact CG2-CB 3.98Å; I118-A150 HydrophobicContact CD1-CB 3.84Å; I118-A150 HydrophobicContact CG1-CB 4.48Å; I118-A150 HydrophobicContact CG2-CB 4.47Å; I118-A153 HydrophobicContact CB-CB 4.35Å; I118-A153 HydrophobicContact CG1-CB 3.78Å; I118-V155 HydrophobicContact CD1-CG2 4.02Å; I118-V155 HydrophobicContact CG1-CG2 4.47Å; I118-S187 CarbonylContact O-C 3.5Å; I118-S187 WeakPolarHBondContact O-CA 3.47Å; I118-S187 WeakPolarHBondContact O-CB 3.17Å; I118-V188 PolarHBondContact N-O 2.91Å; I118-V188 PolarHBondContact O-N 3.47Å; I118-L190 HydrophobicContact CD1-CD1 3.75Å; I118-L190 HydrophobicContact CD1-CG 4.21Å
119T95.6Very high93.7Very high77 Ų7751.7 Ų51.747%0.47226%0.264SS..EExtended strand (participates in β ladder)trans-90.6135169-48.80000109.4H121 P149T119-H121 PolarHBondContact O-N 2.78Å; T119-P149 WeakPolarHBondContact O-CB 3.09Å
120R95.4Very high94.3Very high90 Ų9044.8 Ų44.834%0.3424%0.24SC..PPolyproline II helixtrans-68.3124178.9-175.5-177.9-65.7-76.7-3.2110G125 L126 G185 N186R120-G125 CarbonylContact C-O 3.6Å; R120-G125 WeakPolarHBondContact CA-O 3.17Å; R120-L126 HydrophobicContact CB-CD2 4.12Å; R120-G185 PolarHBondContact NE-O 2.92Å; R120-G185 PolarHBondContact NH2-O 3.08Å; R120-N186 VanDerWaalsContact CB-O 3.28Å; R120-N186 WeakPolarHBondContact CB-O 3.4Å; R120-N186 PolarHBondContact N-O 2.84Å
121H95.4Very high94.5Very high76 Ų7646.1 Ų46.135%0.35225%0.25SC..BIsolated β-bridgetrans-80.6142.8167.1-168.3-109.4000110.1T119 D123 D124 G125 P149T119-H121 PolarHBondContact O-N 2.78Å; H121-D123 VanDerWaalsContact C-N 3.29Å; H121-D123 IonicContact CE1-OD2 3.81Å; H121-D123 PolarHBondContact CE1-OD2 3Å; H121-D123 PolarHBondContact ND1-N 2.77Å; H121-D123 PolarHBondContact O-N 2.79Å; H121-D124 HydrophobicContact CB-CB 4.2Å; H121-D124 IonicContact CE1-OD2 2.83Å; H121-D124 IonicContact CG-OD2 3.7Å; H121-D124 PolarHBondContact ND1-N 3.25Å; H121-D124 IonicContact ND1-OD2 2.74Å; H121-D124 PolarHBondContact ND1-OD2 3.41Å; H121-G125 PolarHBondContact N-O 2.86Å; H121-G125 VanDerWaalsContact O-CA 3.31Å; H121-G125 WeakPolarHBondContact O-CA 3.31Å; H121-G125 PolarHBondContact O-N 2.86Å; H121-P149 HydrophobicContact CB-CG 3.49Å; H121-P149 VanDerWaalsContact CB-CG 3.49Å
122P92.4Very high94.6Very high116 Ų11646.6 Ų46.675%0.75325%0.254SS*.THydrogen-bonded Turntrans-56.2-41179.5-27.336.4000113.5
123D91.3Very high94.7Very high141 Ų14145.8 Ų45.875%0.75425%0.253SS*.THydrogen-bonded Turntrans-92.7-41.3-174.6-55.3-48.2000112.4H121H121-D123 VanDerWaalsContact C-N 3.29Å; H121-D123 IonicContact CE1-OD2 3.81Å; H121-D123 PolarHBondContact CE1-OD2 3Å; H121-D123 PolarHBondContact ND1-N 2.77Å; H121-D123 PolarHBondContact O-N 2.79Å
124D90.4Very high94.6Very high91 Ų9152.4 Ų52.449%0.48729%0.293SS..THydrogen-bonded Turntrans-96.3-0.7-171.8-52.7-59.9000113.4H121 L126 G127 P149H121-D124 HydrophobicContact CB-CB 4.2Å; H121-D124 IonicContact CE1-OD2 2.83Å; H121-D124 IonicContact CG-OD2 3.7Å; H121-D124 PolarHBondContact ND1-N 3.25Å; H121-D124 IonicContact ND1-OD2 2.74Å; H121-D124 PolarHBondContact ND1-OD2 3.41Å; D124-L126 PolarHBondContact O-N 3.46Å; D124-G127 PolarHBondContact O-N 2.94Å; D124-P149 HydrophobicContact CB-CG 4.36Å
125G94.3Very high94.3Very high18 Ų1855.8 Ų55.819%0.18633%0.333CS..BIsolated β-bridgetrans57.1-124.6-173.200000111.1R120 H121R120-G125 CarbonylContact C-O 3.6Å; R120-G125 WeakPolarHBondContact CA-O 3.17Å; H121-G125 PolarHBondContact N-O 2.86Å; H121-G125 VanDerWaalsContact O-CA 3.31Å; H121-G125 WeakPolarHBondContact O-CA 3.31Å; H121-G125 PolarHBondContact O-N 2.86Å
126L96.4Very high94.2Very high12 Ų1259.6 Ų59.66%0.06335%0.351CS..THydrogen-bonded Turntrans-89.1-6.3177-63.8169.7000112.8I118 R120 D124 M128 A150 V181 V188I118-L126 HydrophobicContact CB-CD2 4.39Å; I118-L126 HydrophobicContact CG2-CB 4.36Å; I118-L126 HydrophobicContact CG2-CD2 3.93Å; R120-L126 HydrophobicContact CB-CD2 4.12Å; D124-L126 PolarHBondContact O-N 3.46Å; L126-M128 VanDerWaalsContact C-N 3.25Å; L126-M128 HydrophobicContact CB-CE 3.93Å; L126-M128 HydrophobicContact CB-CG 3.9Å; L126-M128 HydrophobicContact CD1-CE 3.63Å; L126-M128 HydrophobicContact CG-CE 4.31Å; L126-M128 PolarHBondContact O-N 3.39Å; L126-A150 VanDerWaalsContact O-CB 3.29Å; L126-A150 WeakPolarHBondContact O-CB 3.5Å; L126-A150 PolarHBondContact O-N 2.57Å; L126-A150 VanDerWaalsContact O-N 3.09Å; L126-V181 HydrophobicContact CD1-CG1 3.91Å; L126-V188 HydrophobicContact CD1-CB 4.48Å; L126-V188 HydrophobicContact CD1-CG2 3.82Å; L126-V188 HydrophobicContact CD2-CG2 4.34Å
127G96.3Very high93.9Very high3 Ų370.9 Ų70.93%0.03139%0.393CS..SBendtrans61.429.8-175.600000114.4D124 V145D124-G127 PolarHBondContact O-N 2.94Å; G127-V145 PolarHBondContact O-N 3.14Å
128M96.6Very high93.6Very high28 Ų2870.8 Ų70.814%0.13840%0.395CS..EExtended strand (participates in β ladder)trans-150158.3179.360.2168.4-17900112.6I118 L126 V142 N143 A150 L190I118-M128 HydrophobicContact CD1-CE 3.71Å; I118-M128 HydrophobicContact CD1-SD 3.64Å; L126-M128 VanDerWaalsContact C-N 3.25Å; L126-M128 HydrophobicContact CB-CE 3.93Å; L126-M128 HydrophobicContact CB-CG 3.9Å; L126-M128 HydrophobicContact CD1-CE 3.63Å; L126-M128 HydrophobicContact CG-CE 4.31Å; L126-M128 PolarHBondContact O-N 3.39Å; M128-V142 HydrophobicContact CB-CG1 3.92Å; M128-V142 HydrophobicContact CG-CG1 4.47Å; M128-V142 HydrophobicContact SD-CG1 3.85Å; M128-N143 CarbonylContact C-O 3.49Å; M128-N143 VanDerWaalsContact CA-O 3.25Å; M128-N143 WeakPolarHBondContact CA-O 3.32Å; M128-A150 HydrophobicContact CB-CB 3.71Å; M128-A150 HydrophobicContact CG-CB 4.04Å; M128-A150 HydrophobicContact SD-CB 4.32Å; M128-L190 HydrophobicContact CE-CD1 3.91Å; M128-L190 HydrophobicContact SD-CD1 3.63Å
129T96.3Very high93.5Very high79 Ų7974 Ų7449%0.48541%0.407SS..EExtended strand (participates in β ladder)trans-124.8144.7168.157.20000109.7V142 N143T129-V142 WeakPolarHBondContact O-CA 3.28Å; T129-N143 PolarHBondContact N-O 2.96Å; T129-N143 PolarHBondContact O-N 3.12Å
130I96.9Very high93.6Very high34 Ų3470.6 Ų70.617%0.17439%0.385CS..EExtended strand (participates in β ladder)trans-114.4120.8178.4-55.4171.4000108.2Y140 M141 V142 L161 L177 V181I130-Y140 HydrophobicContact CG2-CD1 4.2Å; I130-Y140 HydrophobicContact CG2-CG 4.17Å; I130-M141 WeakPolarHBondContact CA-O 3.15Å; I130-V142 HydrophobicContact CG1-CG2 4.48Å; I130-L161 HydrophobicContact CD1-CD2 4.06Å; I130-L161 HydrophobicContact CG2-CD2 4.04Å; I130-L177 HydrophobicContact CG2-CD2 3.77Å; I130-V181 HydrophobicContact CD1-CG2 3.89Å
131I95.4Very high93.7Very high79 Ų7969.3 Ų69.341%0.40538%0.384SS..EExtended strand (participates in β ladder)trans-120.1130.2-171.4-53.3175.1000108.5Y140 M141 N143I131-Y140 CarbonylContact O-C 3.49Å; I131-Y140 VanDerWaalsContact O-CA 3.31Å; I131-Y140 WeakPolarHBondContact O-CA 3.28Å; I131-M141 PolarHBondContact N-O 3.2Å; I131-M141 PolarHBondContact O-N 2.91Å; I131-N143 WeakPolarHBondContact CD1-ND2 3.28Å
132P95.8Very high93.8Very high64 Ų6465.7 Ų65.742%0.41637%0.367SS..EExtended strand (participates in β ladder)trans-64.1139.1174.527.8-34000110.5T134 Y140P132-T134 PolarHBondContact O-N 3.4Å; P132-Y140 HydrophobicContact CB-CD1 4.05Å; P132-Y140 HydrophobicContact CB-CE1 4.04Å
133I94.9Very high94.1Very high30 Ų3061.6 Ų61.615%0.15434%0.339CS..PPolyproline II helixtrans-80.3118.9175.7-58.1179.6000108.3G135 Q136 R139 M141 I160I133-G135 PolarHBondContact O-N 3.34Å; I133-Q136 HydrophobicContact CB-CB 4.27Å; I133-Q136 HydrophobicContact CG2-CB 4.23Å; I133-Q136 HydrophobicContact CG2-CG 4.15Å; I133-Q136 VanDerWaalsContact CG2-NE2 3.29Å; I133-Q136 PolarHBondContact O-N 3.26Å; I133-R139 HydrophobicContact CB-CB 4.27Å; I133-R139 HydrophobicContact CD1-CB 4.12Å; I133-R139 HydrophobicContact CG1-CB 4.43Å; I133-R139 PolarHBondContact N-O 3.14Å; I133-M141 HydrophobicContact CD1-CB 4.31Å; I133-M141 HydrophobicContact CG1-CB 4.08Å; I133-I160 HydrophobicContact CD1-CD1 3.61Å
134T92.2Very high94.4Very high139 Ų13955.7 Ų55.785%0.85331%0.308SS*.THydrogen-bonded Turntrans-53.1130.6-175.3-55.20000111.7P132 Q136P132-T134 PolarHBondContact O-N 3.4Å; T134-Q136 PolarHBondContact O-N 2.83Å
135G88.5Confident94.7Very high86 Ų8655.2 Ų55.289%0.88731%0.308SS*.THydrogen-bonded Turntrans76.60.2-18000000115I133I133-G135 PolarHBondContact O-N 3.34Å
136Q90.4Very high94.8Very high80 Ų8059 Ų5937%0.37433%0.332SS..  trans-123.992.1-174-55.9-166.960.600111.2I133 T134 G138 R139I133-Q136 HydrophobicContact CB-CB 4.27Å; I133-Q136 HydrophobicContact CG2-CB 4.23Å; I133-Q136 HydrophobicContact CG2-CG 4.15Å; I133-Q136 VanDerWaalsContact CG2-NE2 3.29Å; I133-Q136 PolarHBondContact O-N 3.26Å; T134-Q136 PolarHBondContact O-N 2.83Å; Q136-G138 PolarHBondContact O-N 3.38Å; Q136-R139 HydrophobicContact CB-CB 3.96Å; Q136-R139 HydrophobicContact CB-CG 4.14Å; Q136-R139 PolarHBondContact O-N 2.87Å; Q136-R139 VanDerWaalsContact OE1-CD 3.28Å
137R87.1Confident94.7Very high236 Ų23664 Ų6489%0.89136%0.359SS*.THydrogen-bonded Turntrans-59.8133.2179.6-177.1177.7174.5176.6-1.7110.6R139R137-R139 PolarHBondContact O-N 3.32Å
138G87.3Confident94.7Very high7 Ų764 Ų647%0.07236%0.358CS..THydrogen-bonded Turntrans76.38.4177.700000114.1Q136 V169 S170Q136-G138 PolarHBondContact O-N 3.38Å; G138-V169 CarbonylContact O-C 3.55Å; G138-S170 WeakPolarHBondContact O-CA 3.47Å
139R95Very high94.8Very high67 Ų6763.6 Ų63.625%0.25336%0.358SS..  trans-112.8133.9176-59.2-167.166.9-158.1-5.8110.6I133 Q136 R137 E198I133-R139 HydrophobicContact CB-CB 4.27Å; I133-R139 HydrophobicContact CD1-CB 4.12Å; I133-R139 HydrophobicContact CG1-CB 4.43Å; I133-R139 PolarHBondContact N-O 3.14Å; Q136-R139 HydrophobicContact CB-CB 3.96Å; Q136-R139 HydrophobicContact CB-CG 4.14Å; Q136-R139 PolarHBondContact O-N 2.87Å; Q136-R139 VanDerWaalsContact OE1-CD 3.28Å; R137-R139 PolarHBondContact O-N 3.32Å; R139-E198 IonicContact CZ-OE1 3.52Å; R139-E198 IonicContact CZ-OE2 3.69Å; R139-E198 IonicContact NE-OE1 3.83Å; R139-E198 IonicContact NH2-OE1 2.69Å; R139-E198 PolarHBondContact NH2-OE1 3.14Å; R139-E198 IonicContact NH2-OE2 2.59Å; R139-E198 PolarHBondContact NH2-OE2 2.98Å
140Y97.4Very high94.9Very high6 Ų659.8 Ų59.82%0.02434%0.335CS..EExtended strand (participates in β ladder)trans-136.9143.8-175.7-55.7-92.3000109.9I130 I131 P132 L161 V169 L172 T174 L177I130-Y140 HydrophobicContact CG2-CD1 4.2Å; I130-Y140 HydrophobicContact CG2-CG 4.17Å; I131-Y140 CarbonylContact O-C 3.49Å; I131-Y140 VanDerWaalsContact O-CA 3.31Å; I131-Y140 WeakPolarHBondContact O-CA 3.28Å; P132-Y140 HydrophobicContact CB-CD1 4.05Å; P132-Y140 HydrophobicContact CB-CE1 4.04Å; Y140-L161 PolarHBondContact O-N 3.48Å; Y140-V169 HydrophobicContact CD2-CB 4.19Å; Y140-V169 HydrophobicContact CD2-CG2 4.07Å; Y140-V169 HydrophobicContact CE2-CB 4.42Å; Y140-L172 PolarHBondContact OH-O 3.4Å; Y140-T174 HydrophobicContact CE1-CG2 4.4Å; Y140-T174 WeakPolarHBondContact OH-CA 3.49Å; Y140-T174 PolarHBondContact OH-N 2.62Å; Y140-L177 HydrophobicContact CD1-CD2 3.49Å; Y140-L177 VanDerWaalsContact CD1-CD2 3.49Å; Y140-L177 HydrophobicContact CD2-CD2 3.74Å; Y140-L177 HydrophobicContact CE1-CD2 3.59Å; Y140-L177 HydrophobicContact CE2-CD2 3.84Å; Y140-L177 HydrophobicContact CG-CD2 3.57Å
141M97.6Very high94.9Very high64 Ų6461.5 Ų61.532%0.31534%0.342SS..EExtended strand (participates in β ladder)trans-106.1144.3174.1-177179.2-72.100109.3I130 I131 I133 D159 I160I130-M141 WeakPolarHBondContact CA-O 3.15Å; I131-M141 PolarHBondContact N-O 3.2Å; I131-M141 PolarHBondContact O-N 2.91Å; I133-M141 HydrophobicContact CD1-CB 4.31Å; I133-M141 HydrophobicContact CG1-CB 4.08Å; M141-D159 CarbonylContact C-O 3.55Å; M141-D159 WeakPolarHBondContact CA-O 3.17Å; M141-I160 HydrophobicContact CE-CD1 4.37Å
142V98.1Very high94.9Very high0 Ų065 Ų650%035%0.354CS..EExtended strand (participates in β ladder)trans-107.7121.8176.7-168.60000108.9M128 T129 I130 V155 G158 D159 L161 V192M128-V142 HydrophobicContact CB-CG1 3.92Å; M128-V142 HydrophobicContact CG-CG1 4.47Å; M128-V142 HydrophobicContact SD-CG1 3.85Å; T129-V142 WeakPolarHBondContact O-CA 3.28Å; I130-V142 HydrophobicContact CG1-CG2 4.48Å; V142-V155 HydrophobicContact CB-CG1 4.18Å; V142-V155 HydrophobicContact CG1-CG1 3.81Å; V142-G158 PolarHBondContact O-N 2.92Å; V142-D159 PolarHBondContact N-O 2.83Å; V142-D159 PolarHBondContact O-N 3.11Å; V142-L161 HydrophobicContact CG2-CB 3.83Å; V142-V192 HydrophobicContact CG2-CG1 4.31Å
143N97.7Very high95Very high30 Ų3062 Ų6216%0.1634%0.335CS..EExtended strand (participates in β ladder)trans-107.1122.3171.7-72.8-4.3000108.6M128 T129 I131 F157M128-N143 CarbonylContact C-O 3.49Å; M128-N143 VanDerWaalsContact CA-O 3.25Å; M128-N143 WeakPolarHBondContact CA-O 3.32Å; T129-N143 PolarHBondContact N-O 2.96Å; T129-N143 PolarHBondContact O-N 3.12Å; I131-N143 WeakPolarHBondContact CD1-ND2 3.28Å; N143-F157 HydrophobicContact CB-CD2 3.84Å; N143-F157 HydrophobicContact CB-CE2 3.66Å
144T97.8Very high95Very high17 Ų1761.3 Ų61.310%0.10434%0.335CS..EExtended strand (participates in β ladder)trans-90.7152.6179.453.50000111.4A150 V155 F157T144-A150 HydrophobicContact CG2-CB 3.83Å; T144-V155 HydrophobicContact CG2-CB 3.95Å; T144-V155 HydrophobicContact CG2-CG1 3.74Å; T144-V155 WeakPolarHBondContact CG2-O 3.32Å; T144-F157 PolarHBondContact OG1-N 3.04Å
145V96.6Very high95.3Very high81 Ų8154.7 Ų54.749%0.49129%0.294SS..PPolyproline II helixtrans-85.7134.8165.9179.50000107.5G127 D147 G148G127-V145 PolarHBondContact O-N 3.14Å; V145-D147 PolarHBondContact O-N 3.15Å; V145-G148 WeakPolarHBondContact O-CA 3.39Å; V145-G148 PolarHBondContact O-N 3.32Å
146S96.3Very high95.8Very high97 Ų9754.8 Ų54.868%0.67827%0.271SS*.THydrogen-bonded Turntrans-58.8133.9178.2-172.90000110.9G148 E151S146-G148 PolarHBondContact O-N 3.16Å; S146-E151 VanDerWaalsContact CA-OE2 3.32Å; S146-E151 WeakPolarHBondContact CA-OE2 3.36Å
147D95.1Very high96.1Very high117 Ų11757.6 Ų57.663%0.62628%0.283SS*.THydrogen-bonded Turntrans56.512.7-171.9-81-39.1000114.8V145 E151 K152V145-D147 PolarHBondContact O-N 3.15Å; D147-E151 PolarHBondContact N-OE2 2.94Å; D147-K152 WeakPolarHBondContact O-CE 3.17Å; D147-K152 PolarHBondContact O-NZ 3.04Å
148G96.6Very high96.6Very high2 Ų247.4 Ų47.42%0.02125%0.251CS..SBendtrans-76.1166.9179.700000113.2V145 S146 A150 E151 K152V145-G148 WeakPolarHBondContact O-CA 3.39Å; V145-G148 PolarHBondContact O-N 3.32Å; S146-G148 PolarHBondContact O-N 3.16Å; G148-A150 VanDerWaalsContact C-N 3.31Å; G148-A150 PolarHBondContact O-N 3.16Å; G148-E151 PolarHBondContact O-N 2.94Å; G148-K152 PolarHBondContact O-N 3.09Å
149P97.5Very high97.1Very high20 Ų2047.2 Ų47.213%0.1325%0.248CC..Hα-helixtrans-55.6-38.8-179.7-3035.8000115.1I118 T119 H121 D124 A153I118-P149 HydrophobicContact CG2-CB 3.98Å; T119-P149 WeakPolarHBondContact O-CB 3.09Å; H121-P149 HydrophobicContact CB-CG 3.49Å; H121-P149 VanDerWaalsContact CB-CG 3.49Å; D124-P149 HydrophobicContact CB-CG 4.36Å; P149-A153 WeakPolarHBondContact O-CB 3.48Å; P149-A153 PolarHBondContact O-N 3.3Å
150A97.8Very high97.2Very high0 Ų044.3 Ų44.30%024%0.238CC..Hα-helixtrans-65.5-42.317800000112.9I118 L126 M128 T144 G148 A153 G154 V155I118-A150 HydrophobicContact CD1-CB 3.84Å; I118-A150 HydrophobicContact CG1-CB 4.48Å; I118-A150 HydrophobicContact CG2-CB 4.47Å; L126-A150 VanDerWaalsContact O-CB 3.29Å; L126-A150 WeakPolarHBondContact O-CB 3.5Å; L126-A150 PolarHBondContact O-N 2.57Å; L126-A150 VanDerWaalsContact O-N 3.09Å; M128-A150 HydrophobicContact CB-CB 3.71Å; M128-A150 HydrophobicContact CG-CB 4.04Å; M128-A150 HydrophobicContact SD-CB 4.32Å; T144-A150 HydrophobicContact CG2-CB 3.83Å; G148-A150 VanDerWaalsContact C-N 3.31Å; G148-A150 PolarHBondContact O-N 3.16Å; A150-A153 CarbonylContact O-C 3.5Å; A150-A153 PolarHBondContact O-N 2.75Å; A150-G154 PolarHBondContact O-N 2.9Å; A150-V155 HydrophobicContact CB-CB 4.31Å; A150-V155 WeakPolarHBondContact O-CB 3.42Å; A150-V155 PolarHBondContact O-N 2.73Å
151E97.5Very high97.3Very high69 Ų6944.2 Ų44.232%0.32224%0.237SC..Hα-helixtrans-66.5-43.7178.3-173170.4-122.200111.1S146 D147 G148 A153 G154 V155S146-E151 VanDerWaalsContact CA-OE2 3.32Å; S146-E151 WeakPolarHBondContact CA-OE2 3.36Å; D147-E151 PolarHBondContact N-OE2 2.94Å; G148-E151 PolarHBondContact O-N 2.94Å; E151-A153 PolarHBondContact O-N 3.49Å; E151-G154 WeakPolarHBondContact O-CA 3.47Å; E151-G154 PolarHBondContact O-N 3.32Å; E151-V155 WeakPolarHBondContact CA-O 3.4Å
152K96.6Very high97.2Very high153 Ų15342.4 Ų42.467%0.66523%0.23SC*.Hα-helixtrans-60.9-29.5173.3-74.4169.9172.9152.50113.3D147 G148 G154D147-K152 WeakPolarHBondContact O-CE 3.17Å; D147-K152 PolarHBondContact O-NZ 3.04Å; G148-K152 PolarHBondContact O-N 3.09Å; K152-G154 VanDerWaalsContact C-N 3.25Å; K152-G154 PolarHBondContact O-N 3.33Å
153A96.4Very high96.9Very high2 Ų242.9 Ų42.92%0.01723%0.232CC..THydrogen-bonded Turntrans-81.2-0.3173.700000113.7C116 H117 I118 P149 A150 E151 N216 N217C116-A153 WeakPolarHBondContact CB-O 3.46Å; C116-A153 PolarHBondContact SG-O 3.34Å; H117-A153 VanDerWaalsContact O-CB 3.29Å; H117-A153 WeakPolarHBondContact O-CB 3.46Å; I118-A153 HydrophobicContact CB-CB 4.35Å; I118-A153 HydrophobicContact CG1-CB 3.78Å; P149-A153 WeakPolarHBondContact O-CB 3.48Å; P149-A153 PolarHBondContact O-N 3.3Å; A150-A153 CarbonylContact O-C 3.5Å; A150-A153 PolarHBondContact O-N 2.75Å; E151-A153 PolarHBondContact O-N 3.49Å; A153-N216 WeakPolarHBondContact O-CB 3.36Å; A153-N217 HydrophobicContact CB-CB 4.33Å
154G96.4Very high96.7Very high14 Ų1441.5 Ų41.514%0.14422%0.224CC..THydrogen-bonded Turntrans89.417.6175.800000115.2R114 C116 A150 E151 K152R114-G154 WeakPolarHBondContact CD-O 3.44Å; R114-G154 PolarHBondContact NE-O 3.44Å; C116-G154 VanDerWaalsContact SG-C 3.54Å; C116-G154 PolarHBondContact SG-O 3.48Å; C116-G154 VanDerWaalsContact SG-O 3.37Å; A150-G154 PolarHBondContact O-N 2.9Å; E151-G154 WeakPolarHBondContact O-CA 3.47Å; E151-G154 PolarHBondContact O-N 3.32Å; K152-G154 VanDerWaalsContact C-N 3.25Å; K152-G154 PolarHBondContact O-N 3.33Å
155V98.1Very high96.2Very high0 Ų042.7 Ų42.70%023%0.23CC..  trans-84.1134.8166.5-175.90000108.6C116 I118 V142 T144 A150 E151 D159 L190 V192C116-V155 HydrophobicContact CB-CG2 3.61Å; I118-V155 HydrophobicContact CD1-CG2 4.02Å; I118-V155 HydrophobicContact CG1-CG2 4.47Å; V142-V155 HydrophobicContact CB-CG1 4.18Å; V142-V155 HydrophobicContact CG1-CG1 3.81Å; T144-V155 HydrophobicContact CG2-CB 3.95Å; T144-V155 HydrophobicContact CG2-CG1 3.74Å; T144-V155 WeakPolarHBondContact CG2-O 3.32Å; A150-V155 HydrophobicContact CB-CB 4.31Å; A150-V155 WeakPolarHBondContact O-CB 3.42Å; A150-V155 PolarHBondContact O-N 2.73Å; E151-V155 WeakPolarHBondContact CA-O 3.4Å; V155-D159 HydrophobicContact CG1-CB 4.46Å; V155-L190 HydrophobicContact CG2-CD1 4.35Å; V155-V192 HydrophobicContact CG1-CG1 4.31Å; V155-V192 HydrophobicContact CG1-CG2 4.39Å; V155-V192 HydrophobicContact CG2-CG2 4.33Å
156H97.6Very high95.5Very high89 Ų8940 Ų4041%0.41222%0.219SC..  trans-105.6154177.9-55.4131.4000111.5R114 G158 D159R114-H156 PolarHBondContact NE-ND1 2.9Å; R114-H156 PolarHBondContact NH2-ND1 3.39Å; H156-G158 PolarHBondContact O-N 3.13Å; H156-D159 PolarHBondContact N-OD2 2.83Å; H156-D159 VanDerWaalsContact O-CB 3.26Å; H156-D159 WeakPolarHBondContact O-CB 3.5Å; H156-D159 VanDerWaalsContact O-CG 3.29Å; H156-D159 PolarHBondContact O-N 3.06Å
157F97.8Very high94.9Very high139 Ų13938 Ų3861%0.6120%0.202SC*.THydrogen-bonded Turntrans-59.4130.8174.3179.3-83.5000110.7N143 T144 D159N143-F157 HydrophobicContact CB-CD2 3.84Å; N143-F157 HydrophobicContact CB-CE2 3.66Å; T144-F157 PolarHBondContact OG1-N 3.04Å; F157-D159 VanDerWaalsContact C-N 3.31Å
158G97.2Very high94.7Very high21 Ų2134.4 Ų34.422%0.21619%0.186CC..THydrogen-bonded Turntrans84.53.4179.600000114.3V142 H156V142-G158 PolarHBondContact O-N 2.92Å; H156-G158 PolarHBondContact O-N 3.13Å
159D98.3Very high94.5Very high4 Ų434.4 Ų34.42%0.02119%0.186CC..EExtended strand (participates in β ladder)trans-60.8142.8175.1-86.1-10000111.7R114 M141 V142 V155 H156 F157 V192R114-D159 IonicContact CZ-OD2 2.78Å; R114-D159 IonicContact NE-OD2 2.69Å; R114-D159 IonicContact NH2-OD1 3.09Å; R114-D159 PolarHBondContact NH2-OD1 2.82Å; R114-D159 IonicContact NH2-OD2 3.55Å; R114-D159 PolarHBondContact NH2-OD2 2.83Å; M141-D159 CarbonylContact C-O 3.55Å; M141-D159 WeakPolarHBondContact CA-O 3.17Å; V142-D159 PolarHBondContact N-O 2.83Å; V142-D159 PolarHBondContact O-N 3.11Å; V155-D159 HydrophobicContact CG1-CB 4.46Å; H156-D159 PolarHBondContact N-OD2 2.83Å; H156-D159 VanDerWaalsContact O-CB 3.26Å; H156-D159 WeakPolarHBondContact O-CB 3.5Å; H156-D159 VanDerWaalsContact O-CG 3.29Å; H156-D159 PolarHBondContact O-N 3.06Å; F157-D159 VanDerWaalsContact C-N 3.31Å; D159-V192 HydrophobicContact CB-CB 3.99Å; D159-V192 HydrophobicContact CB-CG2 4.48Å; D159-V192 WeakPolarHBondContact OD2-CG2 3.48Å
160I97.9Very high94.2Very high6 Ų637.1 Ų37.13%0.03121%0.205CC..EExtended strand (participates in β ladder)trans-84.2126.3172.6-49.1-59.9000108.9I133 M141 V192 I193I133-I160 HydrophobicContact CD1-CD1 3.61Å; M141-I160 HydrophobicContact CE-CD1 4.37Å; I160-V192 VanDerWaalsContact O-CA 3.3Å; I160-V192 WeakPolarHBondContact O-CA 3.39Å; I160-I193 HydrophobicContact CB-CG2 4.2Å; I160-I193 PolarHBondContact N-O 3.13Å; I160-I193 PolarHBondContact O-N 3.43Å; I160-I193 VanDerWaalsContact O-N 3.07Å
161L97.8Very high93.6Very high3 Ų344.8 Ų44.82%0.01624%0.241CC..EExtended strand (participates in β ladder)trans-79.2126.2173.5-178.561.5000109.8I130 Y140 V142 W163 V169 L177 L190 V192I130-L161 HydrophobicContact CD1-CD2 4.06Å; I130-L161 HydrophobicContact CG2-CD2 4.04Å; Y140-L161 PolarHBondContact O-N 3.48Å; V142-L161 HydrophobicContact CG2-CB 3.83Å; L161-W163 WeakPolarHBondContact CD1-O 3.28Å; L161-V169 HydrophobicContact CD2-CG1 3.79Å; L161-V169 HydrophobicContact CG-CG1 3.75Å; L161-V169 HydrophobicContact CG-CG2 4.17Å; L161-V169 WeakPolarHBondContact O-CG2 3.48Å; L161-L177 HydrophobicContact CD2-CD1 4.13Å; L161-L177 HydrophobicContact CD2-CD2 4.35Å; L161-L190 HydrophobicContact CD1-CB 4.07Å; L161-L190 HydrophobicContact CD1-CD1 4.34Å; L161-L190 HydrophobicContact CD1-CD2 3.82Å; L161-L190 HydrophobicContact CD1-CG 4.32Å; L161-V192 HydrophobicContact CD1-CG1 4.18Å
162V95.5Very high93.2Very high27 Ų2742.7 Ų42.716%0.16423%0.232CC..EExtended strand (participates in β ladder)trans-108.7-34.9178.9-178.60000111.2V169 L191 I193 I208V162-V169 WeakPolarHBondContact O-CG2 3.49Å; V162-V169 PolarHBondContact O-N 3.42Å; V162-L191 HydrophobicContact CB-CB 4.42Å; V162-L191 HydrophobicContact CB-CD2 4.28Å; V162-L191 HydrophobicContact CB-CG 4.32Å; V162-L191 HydrophobicContact CG1-CD2 4.14Å; V162-L191 PolarHBondContact N-O 2.87Å; V162-I193 HydrophobicContact CG2-CG2 3.79Å; V162-I208 HydrophobicContact CB-CG2 4.33Å; V162-I208 HydrophobicContact CG1-CB 4.2Å; V162-I208 HydrophobicContact CG1-CG2 3.98Å; V162-I208 HydrophobicContact CG2-CD1 4.31Å; V162-I208 HydrophobicContact CG2-CG2 4.02Å
163W92.9Very high93Very high10 Ų1038.5 Ų38.54%0.03822%0.22CC..EExtended strand (participates in β ladder)trans-154.8146.3-171.4-177.3101.9000111.1L115 L161 N165 G166 V167 T189 L190 L191 V316 I320L115-W163 HydrophobicContact CD1-CZ3 4.39Å; L161-W163 WeakPolarHBondContact CD1-O 3.28Å; W163-N165 VanDerWaalsContact CZ3-N 3.26Å; W163-G166 PolarHBondContact NE1-O 2.78Å; W163-G166 VanDerWaalsContact NE1-O 3.13Å; W163-V167 CarbonylContact C-O 3.59Å; W163-V167 WeakPolarHBondContact CA-O 3.46Å; W163-T189 HydrophobicContact CZ3-CG2 4.25Å; W163-T189 WeakPolarHBondContact CZ3-O 3.3Å; W163-L190 WeakPolarHBondContact O-CA 2.93Å; W163-L191 HydrophobicContact CB-CB 3.59Å; W163-L191 HydrophobicContact CB-CD2 4.21Å; W163-L191 HydrophobicContact CE3-CB 4.48Å; W163-L191 HydrophobicContact CG-CB 4.45Å; W163-L191 PolarHBondContact N-O 3.24Å; W163-L191 PolarHBondContact O-N 2.98Å; W163-V316 HydrophobicContact CH2-CB 4.07Å; W163-V316 HydrophobicContact CH2-CG1 3.28Å; W163-V316 WeakPolarHBondContact CH2-O 3.24Å; W163-V316 HydrophobicContact CZ2-CG1 4.38Å; W163-V316 WeakPolarHBondContact CZ2-O 3.39Å; W163-V316 HydrophobicContact CZ3-CG1 3.78Å; W163-I320 HydrophobicContact CH2-CD1 3.87Å; W163-I320 HydrophobicContact CZ2-CD1 4.13Å; W163-I320 HydrophobicContact CZ3-CD1 4.42Å
164I92.1Very high92.8Very high0 Ų041.3 Ų41.30%024%0.237CC..EExtended strand (participates in β ladder)trans-142127178.8-176.7166.5000110.9G166 V167 V169 L172 L177 I180 V181 V188 T189 L190I164-G166 VanDerWaalsContact C-N 3.27Å; I164-G166 PolarHBondContact O-N 3.33Å; I164-V167 PolarHBondContact N-O 3.49Å; I164-V167 PolarHBondContact O-N 3.41Å; I164-V169 HydrophobicContact CB-CG1 4.32Å; I164-V169 HydrophobicContact CG2-CG1 3.7Å; I164-L172 HydrophobicContact CG2-CD1 4.23Å; I164-L177 HydrophobicContact CD1-CD1 4.15Å; I164-L177 HydrophobicContact CG2-CD1 3.76Å; I164-I180 HydrophobicContact CD1-CG2 4.03Å; I164-I180 HydrophobicContact CG1-CG2 3.99Å; I164-I180 HydrophobicContact CG2-CD1 4.36Å; I164-I180 HydrophobicContact CG2-CG2 4.23Å; I164-V181 HydrophobicContact CD1-CG2 3.6Å; I164-V188 HydrophobicContact CD1-CG1 3.83Å; I164-V188 HydrophobicContact CG1-CG1 3.79Å; I164-T189 WeakPolarHBondContact CA-O 3.44Å; I164-L190 HydrophobicContact CB-CD2 3.96Å; I164-L190 HydrophobicContact CD1-CD2 3.74Å; I164-L190 HydrophobicContact CG1-CD2 3.63Å
165N88.1Confident92.6Very high42 Ų4246 Ų4623%0.22526%0.263CS..THydrogen-bonded Turntrans42.643.7170.3-75.4-4.4000116.1W163 I180 S184 T189W163-N165 VanDerWaalsContact CZ3-N 3.26Å; N165-I180 HydrophobicContact CB-CG2 4.29Å; N165-S184 WeakPolarHBondContact ND2-CB 3.02Å; N165-S184 PolarHBondContact ND2-OG 3.26Å; N165-T189 PolarHBondContact N-O 3.09Å; N165-T189 PolarHBondContact OD1-N 3.43Å; N165-T189 PolarHBondContact OD1-O 3.36Å
166G81.1Confident92.4Very high26 Ų2647.7 Ų47.727%0.26828%0.275SS..THydrogen-bonded Turntrans113.6-21.9177.700000113W163 I164W163-G166 PolarHBondContact NE1-O 2.78Å; W163-G166 VanDerWaalsContact NE1-O 3.13Å; I164-G166 VanDerWaalsContact C-N 3.27Å; I164-G166 PolarHBondContact O-N 3.33Å
167V85.6Confident92.2Very high54 Ų5443.6 Ų43.633%0.32726%0.255SS..EExtended strand (participates in β ladder)trans-123.6129.7-155.1-170.10000111.5W163 I164 V169 L172W163-V167 CarbonylContact C-O 3.59Å; W163-V167 WeakPolarHBondContact CA-O 3.46Å; I164-V167 PolarHBondContact N-O 3.49Å; I164-V167 PolarHBondContact O-N 3.41Å; V167-V169 PolarHBondContact O-N 2.81Å; V167-L172 HydrophobicContact CG1-CD1 4.09Å; V167-L172 HydrophobicContact CG1-CD2 3.95Å; V167-L172 HydrophobicContact CG1-CG 4.21Å
168S89.8Confident91.9Very high41 Ų4140.3 Ų40.329%0.28724%0.244SC..EExtended strand (participates in β ladder)trans-63.8130.6170.5-175.10000110.2S170S168-S170 VanDerWaalsContact C-N 3.32Å; S168-S170 PolarHBondContact OG-OG 2.9Å
169V92.9Very high91.7Very high3 Ų345.7 Ų45.72%0.01826%0.258CS..G310 helixtrans-79.4-17.2-178.1-53.80000113.8G138 Y140 L161 V162 I164 V167 E171 L172 L177G138-V169 CarbonylContact O-C 3.55Å; Y140-V169 HydrophobicContact CD2-CB 4.19Å; Y140-V169 HydrophobicContact CD2-CG2 4.07Å; Y140-V169 HydrophobicContact CE2-CB 4.42Å; L161-V169 HydrophobicContact CD2-CG1 3.79Å; L161-V169 HydrophobicContact CG-CG1 3.75Å; L161-V169 HydrophobicContact CG-CG2 4.17Å; L161-V169 WeakPolarHBondContact O-CG2 3.48Å; V162-V169 WeakPolarHBondContact O-CG2 3.49Å; V162-V169 PolarHBondContact O-N 3.42Å; I164-V169 HydrophobicContact CB-CG1 4.32Å; I164-V169 HydrophobicContact CG2-CG1 3.7Å; V167-V169 PolarHBondContact O-N 2.81Å; V169-E171 PolarHBondContact O-N 2.91Å; V169-E171 VanDerWaalsContact O-N 3.11Å; V169-L172 HydrophobicContact CB-CD1 4.45Å; V169-L172 HydrophobicContact CG1-CD1 4.31Å; V169-L172 WeakPolarHBondContact O-CB 3.12Å; V169-L172 PolarHBondContact O-N 3.25Å; V169-L177 HydrophobicContact CG1-CD1 4.17Å
170S90.9Very high91.3Very high76 Ų7646.9 Ų46.953%0.53126%0.264SS..G310 helixtrans-56.9-26.7176.457.90000113G138 S168G138-S170 WeakPolarHBondContact O-CA 3.47Å; S168-S170 VanDerWaalsContact C-N 3.32Å; S168-S170 PolarHBondContact OG-OG 2.9Å
171E85Confident91.1Very high161 Ų16147.8 Ų47.875%0.75227%0.27SS*.G310 helixtrans-93.3-3.8-179.4-62177.5-169.600112.9V169V169-E171 PolarHBondContact O-N 2.91Å; V169-E171 VanDerWaalsContact O-N 3.11Å
172L89.9Confident90.7Very high25 Ų2555.9 Ų55.913%0.13131%0.305CS..  trans-100.3139.3-171.4-60.4-178.3000113.2Y140 I164 V167 V169 L177 I180Y140-L172 PolarHBondContact OH-O 3.4Å; I164-L172 HydrophobicContact CG2-CD1 4.23Å; V167-L172 HydrophobicContact CG1-CD1 4.09Å; V167-L172 HydrophobicContact CG1-CD2 3.95Å; V167-L172 HydrophobicContact CG1-CG 4.21Å; V169-L172 HydrophobicContact CB-CD1 4.45Å; V169-L172 HydrophobicContact CG1-CD1 4.31Å; V169-L172 WeakPolarHBondContact O-CB 3.12Å; V169-L172 PolarHBondContact O-N 3.25Å; L172-L177 HydrophobicContact CD1-CD1 4.17Å; L172-I180 HydrophobicContact CD1-CD1 3.57Å; L172-I180 HydrophobicContact CD2-CD1 4.33Å
173T92.2Very high90.3Very high66 Ų6662 Ų6241%0.40533%0.33SS..  trans-78.4158.3162.165.50000110.6T175 S176 L177T173-T175 PolarHBondContact O-N 3.14Å; T173-S176 PolarHBondContact O-N 3.21Å; T173-S176 PolarHBondContact OG1-N 2.97Å; T173-S176 PolarHBondContact OG1-OG 2.9Å; T173-L177 PolarHBondContact O-N 2.81Å
174T92.1Very high89.9Confident61 Ų6162.5 Ų62.537%0.37434%0.335SS..Hα-helixtrans-55.6-39.1177.8-47.70000111.6Y140 L177 N178Y140-T174 HydrophobicContact CE1-CG2 4.4Å; Y140-T174 WeakPolarHBondContact OH-CA 3.49Å; Y140-T174 PolarHBondContact OH-N 2.62Å; T174-L177 PolarHBondContact O-N 3.33Å; T174-N178 WeakPolarHBondContact O-CB 3.37Å; T174-N178 VanDerWaalsContact O-CG 3.31Å; T174-N178 PolarHBondContact O-N 2.82Å; T174-N178 PolarHBondContact O-ND2 2.96Å
175T92.5Very high89.7Confident112 Ų11264.5 Ų64.569%0.68736%0.355SS*.Hα-helixtrans-64.5-44.6177.1-47.80000112T173 R179T173-T175 PolarHBondContact O-N 3.14Å; T175-R179 WeakPolarHBondContact O-CB 3.4Å; T175-R179 PolarHBondContact O-N 3.48Å
176S92.7Very high89.8Confident36 Ų3668.5 Ų68.525%0.25238%0.376SS..Hα-helixtrans-64.9-42177.3-72.80000111.8T173 R179 I180T173-S176 PolarHBondContact O-N 3.21Å; T173-S176 PolarHBondContact OG1-N 2.97Å; T173-S176 PolarHBondContact OG1-OG 2.9Å; S176-R179 WeakPolarHBondContact O-CB 3.48Å; S176-R179 PolarHBondContact O-N 3.33Å; S176-I180 WeakPolarHBondContact O-CG1 3.47Å; S176-I180 PolarHBondContact O-N 2.78Å
177L94.1Very high90.4Very high2 Ų269.2 Ų69.21%0.0138%0.377CS..Hα-helixtrans-61.2-50.3176.4-178.862.4000111.7I130 Y140 L161 I164 V169 L172 T173 T174 R179 I180 V181I130-L177 HydrophobicContact CG2-CD2 3.77Å; Y140-L177 HydrophobicContact CD1-CD2 3.49Å; Y140-L177 VanDerWaalsContact CD1-CD2 3.49Å; Y140-L177 HydrophobicContact CD2-CD2 3.74Å; Y140-L177 HydrophobicContact CE1-CD2 3.59Å; Y140-L177 HydrophobicContact CE2-CD2 3.84Å; Y140-L177 HydrophobicContact CG-CD2 3.57Å; L161-L177 HydrophobicContact CD2-CD1 4.13Å; L161-L177 HydrophobicContact CD2-CD2 4.35Å; I164-L177 HydrophobicContact CD1-CD1 4.15Å; I164-L177 HydrophobicContact CG2-CD1 3.76Å; V169-L177 HydrophobicContact CG1-CD1 4.17Å; L172-L177 HydrophobicContact CD1-CD1 4.17Å; T173-L177 PolarHBondContact O-N 2.81Å; T174-L177 PolarHBondContact O-N 3.33Å; L177-R179 PolarHBondContact O-N 2.79Å; L177-I180 WeakPolarHBondContact O-CB 3.28Å; L177-I180 PolarHBondContact O-N 2.8Å; L177-V181 PolarHBondContact O-N 2.78Å
178N91.8Very high90.8Very high71 Ų7166.7 Ų66.738%0.3836%0.362SS..Hα-helixtrans-59.3-36.1176.8-76.9-26.4000112.2T174 K182T174-N178 WeakPolarHBondContact O-CB 3.37Å; T174-N178 VanDerWaalsContact O-CG 3.31Å; T174-N178 PolarHBondContact O-N 2.82Å; T174-N178 PolarHBondContact O-ND2 2.96Å; N178-K182 WeakPolarHBondContact O-CB 3.36Å; N178-K182 VanDerWaalsContact O-CG 3.27Å; N178-K182 WeakPolarHBondContact O-CG 3.43Å; N178-K182 PolarHBondContact O-N 2.82Å
179R91.9Very high90.9Very high133 Ų13364.8 Ų64.850%0.50235%0.349SS..Hα-helixtrans-65.9-40.4174.7-177176.360.993.36.4111.8T175 S176 L177 K183T175-R179 WeakPolarHBondContact O-CB 3.4Å; T175-R179 PolarHBondContact O-N 3.48Å; S176-R179 WeakPolarHBondContact O-CB 3.48Å; S176-R179 PolarHBondContact O-N 3.33Å; L177-R179 PolarHBondContact O-N 2.79Å; R179-K183 HydrophobicContact CG-CD 4.18Å; R179-K183 HydrophobicContact CG-CG 4.45Å; R179-K183 VanDerWaalsContact O-CB 3.3Å; R179-K183 WeakPolarHBondContact O-CB 3.43Å; R179-K183 VanDerWaalsContact O-CG 3.29Å; R179-K183 WeakPolarHBondContact O-CG 3.2Å; R179-K183 PolarHBondContact O-N 3.35Å
180I91.3Very high91Very high29 Ų2964.7 Ų64.715%0.14935%0.348CS..Hα-helixtrans-59.9-53.4174.5-68.3167.9000109.3I164 N165 L172 S176 L177 K182 K183 S184I164-I180 HydrophobicContact CD1-CG2 4.03Å; I164-I180 HydrophobicContact CG1-CG2 3.99Å; I164-I180 HydrophobicContact CG2-CD1 4.36Å; I164-I180 HydrophobicContact CG2-CG2 4.23Å; N165-I180 HydrophobicContact CB-CG2 4.29Å; L172-I180 HydrophobicContact CD1-CD1 3.57Å; L172-I180 HydrophobicContact CD2-CD1 4.33Å; S176-I180 WeakPolarHBondContact O-CG1 3.47Å; S176-I180 PolarHBondContact O-N 2.78Å; L177-I180 WeakPolarHBondContact O-CB 3.28Å; L177-I180 PolarHBondContact O-N 2.8Å; I180-K182 PolarHBondContact O-N 3.4Å; I180-K183 PolarHBondContact O-N 2.66Å; I180-K183 VanDerWaalsContact O-N 3.12Å; I180-S184 PolarHBondContact O-N 3.08Å; I180-S184 PolarHBondContact O-OG 3.44Å
181V92.1Very high91.2Very high26 Ų2661.1 Ų61.116%0.15832%0.323CS..Hα-helixtrans-57.2-47.1-179.5178.10000111.8L126 I130 I164 L177 K183 S184L126-V181 HydrophobicContact CD1-CG1 3.91Å; I130-V181 HydrophobicContact CD1-CG2 3.89Å; I164-V181 HydrophobicContact CD1-CG2 3.6Å; L177-V181 PolarHBondContact O-N 2.78Å; V181-K183 VanDerWaalsContact C-N 3.32Å; V181-K183 PolarHBondContact O-N 2.85Å; V181-S184 WeakPolarHBondContact O-CB 3.48Å; V181-S184 PolarHBondContact O-N 2.96Å
182K89.3Confident91.8Very high173 Ų17353.4 Ų53.475%0.75229%0.287SS*.Hα-helixtrans-62.9-36.3178.4-74.8178.8-179.8-173.70113N178 I180 S184N178-K182 WeakPolarHBondContact O-CB 3.36Å; N178-K182 VanDerWaalsContact O-CG 3.27Å; N178-K182 WeakPolarHBondContact O-CG 3.43Å; N178-K182 PolarHBondContact O-N 2.82Å; I180-K182 PolarHBondContact O-N 3.4Å; K182-S184 VanDerWaalsContact C-N 3.32Å
183K88.9Confident92.2Very high155 Ų15552.2 Ų52.267%0.67428%0.281SS*.Hα-helixtrans-80.2-11.2178.7-74.7-169.8175-155.20113.9R179 I180 V181 G185R179-K183 HydrophobicContact CG-CD 4.18Å; R179-K183 HydrophobicContact CG-CG 4.45Å; R179-K183 VanDerWaalsContact O-CB 3.3Å; R179-K183 WeakPolarHBondContact O-CB 3.43Å; R179-K183 VanDerWaalsContact O-CG 3.29Å; R179-K183 WeakPolarHBondContact O-CG 3.2Å; R179-K183 PolarHBondContact O-N 3.35Å; I180-K183 PolarHBondContact O-N 2.66Å; I180-K183 VanDerWaalsContact O-N 3.12Å; V181-K183 VanDerWaalsContact C-N 3.32Å; V181-K183 PolarHBondContact O-N 2.85Å; K183-G185 PolarHBondContact O-N 3.41Å
184S83.8Confident92.4Very high21 Ų2150.6 Ų50.615%0.14727%0.27CS..SBendtrans-75.713.9-172.1-61.10000114.4N165 I180 V181 K182 N186 S187N165-S184 WeakPolarHBondContact ND2-CB 3.02Å; N165-S184 PolarHBondContact ND2-OG 3.26Å; I180-S184 PolarHBondContact O-N 3.08Å; I180-S184 PolarHBondContact O-OG 3.44Å; V181-S184 WeakPolarHBondContact O-CB 3.48Å; V181-S184 PolarHBondContact O-N 2.96Å; K182-S184 VanDerWaalsContact C-N 3.32Å; S184-N186 PolarHBondContact O-N 2.91Å; S184-S187 WeakPolarHBondContact CB-O 3.36Å; S184-S187 PolarHBondContact O-N 3.46Å
185G86.8Confident92.4Very high41 Ų4150.9 Ų50.942%0.42327%0.274SS..THydrogen-bonded Turntrans51.4-123.117600000112.5R120 K183R120-G185 PolarHBondContact NE-O 2.92Å; R120-G185 PolarHBondContact NH2-O 3.08Å; K183-G185 PolarHBondContact O-N 3.41Å
186N91.4Very high92.5Very high126 Ų12648.9 Ų48.967%0.67426%0.259SS*.THydrogen-bonded Turntrans-90.7-2.2-173.4-68.5-5.6000114.4R120 S184R120-N186 VanDerWaalsContact CB-O 3.28Å; R120-N186 WeakPolarHBondContact CB-O 3.4Å; R120-N186 PolarHBondContact N-O 2.84Å; S184-N186 PolarHBondContact O-N 2.91Å
187S92.8Very high92.6Very high42 Ų4247.2 Ų47.229%0.29425%0.247SC..EExtended strand (participates in β ladder)trans-157.4151.1-177.562.30000114H117 I118 S184H117-S187 WeakPolarHBondContact CE1-CB 3.44Å; H117-S187 PolarHBondContact CE1-OG 3.2Å; I118-S187 CarbonylContact O-C 3.5Å; I118-S187 WeakPolarHBondContact O-CA 3.47Å; I118-S187 WeakPolarHBondContact O-CB 3.17Å; S184-S187 WeakPolarHBondContact CB-O 3.36Å; S184-S187 PolarHBondContact O-N 3.46Å
188V93.6Very high92.7Very high1 Ų148 Ų481%0.00625%0.251CS..EExtended strand (participates in β ladder)trans-134.4138175.4175.40000109.6I118 L126 I164 L190I118-V188 PolarHBondContact N-O 2.91Å; I118-V188 PolarHBondContact O-N 3.47Å; L126-V188 HydrophobicContact CD1-CB 4.48Å; L126-V188 HydrophobicContact CD1-CG2 3.82Å; L126-V188 HydrophobicContact CD2-CG2 4.34Å; I164-V188 HydrophobicContact CD1-CG1 3.83Å; I164-V188 HydrophobicContact CG1-CG1 3.79Å; V188-L190 HydrophobicContact CG1-CD2 3.36Å; V188-L190 HydrophobicContact CG1-CG 3.97Å
189T92.8Very high92.8Very high1 Ų147.2 Ų47.21%0.00625%0.251CS..EExtended strand (participates in β ladder)trans-107.9125.5170.5-510000109.9L115 C116 H117 W163 I164 N165 L218 Y312 V316L115-T189 HydrophobicContact CD1-CG2 3.8Å; L115-T189 HydrophobicContact CG-CG2 4.07Å; C116-T189 CarbonylContact O-C 3.59Å; C116-T189 VanDerWaalsContact O-CA 3.3Å; C116-T189 WeakPolarHBondContact O-CA 3.19Å; H117-T189 PolarHBondContact ND1-OG1 2.92Å; W163-T189 HydrophobicContact CZ3-CG2 4.25Å; W163-T189 WeakPolarHBondContact CZ3-O 3.3Å; I164-T189 WeakPolarHBondContact CA-O 3.44Å; N165-T189 PolarHBondContact N-O 3.09Å; N165-T189 PolarHBondContact OD1-N 3.43Å; N165-T189 PolarHBondContact OD1-O 3.36Å; T189-L218 HydrophobicContact CG2-CD2 4.49Å; T189-Y312 WeakPolarHBondContact CG2-OH 3.26Å; T189-Y312 PolarHBondContact OG1-OH 2.9Å; T189-V316 HydrophobicContact CG2-CG1 3.7Å
190L95.6Very high92.8Very high0 Ų041.3 Ų41.30%023%0.23CC..EExtended strand (participates in β ladder)trans-117.5144.8-178-54.5-176.1000110.8L115 C116 I118 M128 V155 L161 W163 I164 V188 V192L115-L190 CarbonylContact C-O 3.41Å; L115-L190 VanDerWaalsContact CA-O 3.29Å; L115-L190 WeakPolarHBondContact CA-O 3.33Å; C116-L190 PolarHBondContact N-O 3.19Å; C116-L190 PolarHBondContact O-N 2.82Å; I118-L190 HydrophobicContact CD1-CD1 3.75Å; I118-L190 HydrophobicContact CD1-CG 4.21Å; M128-L190 HydrophobicContact CE-CD1 3.91Å; M128-L190 HydrophobicContact SD-CD1 3.63Å; V155-L190 HydrophobicContact CG2-CD1 4.35Å; L161-L190 HydrophobicContact CD1-CB 4.07Å; L161-L190 HydrophobicContact CD1-CD1 4.34Å; L161-L190 HydrophobicContact CD1-CD2 3.82Å; L161-L190 HydrophobicContact CD1-CG 4.32Å; W163-L190 WeakPolarHBondContact O-CA 2.93Å; I164-L190 HydrophobicContact CB-CD2 3.96Å; I164-L190 HydrophobicContact CD1-CD2 3.74Å; I164-L190 HydrophobicContact CG1-CD2 3.63Å; V188-L190 HydrophobicContact CG1-CD2 3.36Å; V188-L190 HydrophobicContact CG1-CG 3.97Å; L190-V192 HydrophobicContact CB-CG1 3.93Å; L190-V192 HydrophobicContact CD1-CG1 4.28Å
191L94.8Very high92.9Very high1 Ų140 Ų401%0.00522%0.223CC..EExtended strand (participates in β ladder)trans-101.4119157.3-171.862.7000108P113 R114 L115 V162 W163 I208 P210 A213P113-L191 HydrophobicContact CB-CD1 3.8Å; P113-L191 HydrophobicContact CB-CG 4.43Å; R114-L191 WeakPolarHBondContact O-CA 3.36Å; L115-L191 HydrophobicContact CB-CD1 4.36Å; L115-L191 HydrophobicContact CD1-CB 4.49Å; L115-L191 HydrophobicContact CD1-CD1 4.5Å; V162-L191 HydrophobicContact CB-CB 4.42Å; V162-L191 HydrophobicContact CB-CD2 4.28Å; V162-L191 HydrophobicContact CB-CG 4.32Å; V162-L191 HydrophobicContact CG1-CD2 4.14Å; V162-L191 PolarHBondContact N-O 2.87Å; W163-L191 HydrophobicContact CB-CB 3.59Å; W163-L191 HydrophobicContact CB-CD2 4.21Å; W163-L191 HydrophobicContact CE3-CB 4.48Å; W163-L191 HydrophobicContact CG-CB 4.45Å; W163-L191 PolarHBondContact N-O 3.24Å; W163-L191 PolarHBondContact O-N 2.98Å; L191-I208 HydrophobicContact CD2-CG2 3.86Å; L191-I208 HydrophobicContact CG-CG2 4.26Å; L191-P210 HydrophobicContact CD2-CG 4.09Å; L191-A213 HydrophobicContact CD1-CB 3.51Å
192V97.6Very high92.9Very high0 Ų044.3 Ų44.30%025%0.245CC..EExtended strand (participates in β ladder)trans-126.8157.1-178.3-64.10000111.4P113 R114 V142 V155 D159 I160 L161 L190P113-V192 CarbonylContact C-O 3.57Å; P113-V192 WeakPolarHBondContact CA-O 3.48Å; R114-V192 HydrophobicContact CB-CG2 4.01Å; R114-V192 PolarHBondContact N-O 2.89Å; R114-V192 PolarHBondContact O-N 3.09Å; V142-V192 HydrophobicContact CG2-CG1 4.31Å; V155-V192 HydrophobicContact CG1-CG1 4.31Å; V155-V192 HydrophobicContact CG1-CG2 4.39Å; V155-V192 HydrophobicContact CG2-CG2 4.33Å; D159-V192 HydrophobicContact CB-CB 3.99Å; D159-V192 HydrophobicContact CB-CG2 4.48Å; D159-V192 WeakPolarHBondContact OD2-CG2 3.48Å; I160-V192 VanDerWaalsContact O-CA 3.3Å; I160-V192 WeakPolarHBondContact O-CA 3.39Å; L161-V192 HydrophobicContact CD1-CG1 4.18Å; L190-V192 HydrophobicContact CB-CG1 3.93Å; L190-V192 HydrophobicContact CD1-CG1 4.28Å
193I97.5Very high93.1Very high0 Ų046.1 Ų46.10%025%0.247CC..EExtended strand (participates in β ladder)trans-153146.7178.1-174.3163.1000109.9P113 I160 V162 E198 Y201 I208P113-I193 HydrophobicContact CG-CD1 4.05Å; I160-I193 HydrophobicContact CB-CG2 4.2Å; I160-I193 PolarHBondContact N-O 3.13Å; I160-I193 PolarHBondContact O-N 3.43Å; I160-I193 VanDerWaalsContact O-N 3.07Å; V162-I193 HydrophobicContact CG2-CG2 3.79Å; I193-E198 HydrophobicContact CD1-CB 4.36Å; I193-E198 HydrophobicContact CG1-CB 4.39Å; I193-E198 HydrophobicContact CG2-CB 4Å; I193-E198 HydrophobicContact CG2-CG 4.29Å; I193-Y201 HydrophobicContact CD1-CD2 3.46Å; I193-Y201 VanDerWaalsContact CD1-CD2 3.46Å; I193-Y201 HydrophobicContact CD1-CE2 3.62Å; I193-Y201 HydrophobicContact CD1-CG 4.4Å; I193-I208 HydrophobicContact CD1-CD1 4.11Å; I193-I208 HydrophobicContact CD1-CG1 4.22Å; I193-I208 HydrophobicContact CG2-CD1 4.12Å
194D96.3Very high93.2Very high32 Ų3240.5 Ų40.517%0.17122%0.222CC..  trans-75.1159173.271.883.5000111.7T111 D196 S197 E198T111-D194 PolarHBondContact OG1-OD2 3.33Å; D194-D196 VanDerWaalsContact C-N 3.32Å; D194-D196 PolarHBondContact O-N 2.95Å; D194-D196 WeakPolarHBondContact OD1-CA 3.47Å; D194-D196 WeakPolarHBondContact OD1-CB 3.43Å; D194-D196 PolarHBondContact OD1-N 3.11Å; D194-S197 VanDerWaalsContact CG-OG 3.23Å; D194-S197 PolarHBondContact O-N 3.49Å; D194-S197 PolarHBondContact OD1-N 3.49Å; D194-S197 PolarHBondContact OD1-OG 3.31Å; D194-S197 WeakPolarHBondContact OD2-CB 3.18Å; D194-S197 PolarHBondContact OD2-OG 2.7Å; D194-E198 WeakPolarHBondContact O-CB 3.4Å; D194-E198 PolarHBondContact O-N 2.8Å
195S93.6Very high93.5Very high66 Ų6650.1 Ų50.146%0.46226%0.255SS..Hα-helixtrans-64.1-30.8-175-173.30000114.5S199S195-S199 WeakPolarHBondContact O-CB 3.45Å; S195-S199 PolarHBondContact O-N 2.73Å; S195-S199 PolarHBondContact O-OG 3.49Å
196D93.6Very high93.7Very high71 Ų7148.7 Ų48.738%0.3824%0.237SC..Hα-helixtrans-73.4-45.6179.9-74-28.7000109.9R109 D194 S199 C200R109-D196 IonicContact CZ-OD2 3.07Å; R109-D196 IonicContact NE-OD2 2.72Å; R109-D196 PolarHBondContact NE-OD2 2.98Å; R109-D196 IonicContact NH2-OD1 3.4Å; R109-D196 PolarHBondContact NH2-OD1 2.58Å; R109-D196 IonicContact NH2-OD2 2.73Å; R109-D196 PolarHBondContact NH2-OD2 3.34Å; D194-D196 VanDerWaalsContact C-N 3.32Å; D194-D196 PolarHBondContact O-N 2.95Å; D194-D196 WeakPolarHBondContact OD1-CA 3.47Å; D194-D196 WeakPolarHBondContact OD1-CB 3.43Å; D194-D196 PolarHBondContact OD1-N 3.11Å; D196-S199 WeakPolarHBondContact O-CB 3.37Å; D196-S199 PolarHBondContact O-N 3.04Å; D196-C200 PolarHBondContact O-N 2.6Å; D196-C200 VanDerWaalsContact O-N 3.08Å
197S95.8Very high93.6Very high0 Ų044.8 Ų44.80%022%0.219CC..Hα-helixtrans-63-45.1175.9-59.90000110.9T111 D194 S199 C200 Y201T111-S197 PolarHBondContact N-OG 3.4Å; T111-S197 WeakPolarHBondContact O-CB 3.3Å; T111-S197 PolarHBondContact O-OG 3.42Å; T111-S197 PolarHBondContact OG1-OG 2.9Å; D194-S197 VanDerWaalsContact CG-OG 3.23Å; D194-S197 PolarHBondContact O-N 3.49Å; D194-S197 PolarHBondContact OD1-N 3.49Å; D194-S197 PolarHBondContact OD1-OG 3.31Å; D194-S197 WeakPolarHBondContact OD2-CB 3.18Å; D194-S197 PolarHBondContact OD2-OG 2.7Å; S197-S199 VanDerWaalsContact C-N 3.28Å; S197-S199 PolarHBondContact O-N 3.18Å; S197-C200 WeakPolarHBondContact O-CA 3.2Å; S197-C200 VanDerWaalsContact O-CB 3.24Å; S197-C200 WeakPolarHBondContact O-CB 3.43Å; S197-C200 PolarHBondContact O-N 3.24Å; S197-Y201 VanDerWaalsContact O-CD2 3.25Å; S197-Y201 WeakPolarHBondContact O-CD2 3.07Å; S197-Y201 PolarHBondContact O-N 3.43Å
198E94.9Very high93.5Very high19 Ų1944.3 Ų44.39%0.08921%0.212CC..Hα-helixtrans-55.8-44.6175.8-171.2-164.4-144.800111.6R139 I193 D194 C200 Y201 L202 I208R139-E198 IonicContact CZ-OE1 3.52Å; R139-E198 IonicContact CZ-OE2 3.69Å; R139-E198 IonicContact NE-OE1 3.83Å; R139-E198 IonicContact NH2-OE1 2.69Å; R139-E198 PolarHBondContact NH2-OE1 3.14Å; R139-E198 IonicContact NH2-OE2 2.59Å; R139-E198 PolarHBondContact NH2-OE2 2.98Å; I193-E198 HydrophobicContact CD1-CB 4.36Å; I193-E198 HydrophobicContact CG1-CB 4.39Å; I193-E198 HydrophobicContact CG2-CB 4Å; I193-E198 HydrophobicContact CG2-CG 4.29Å; D194-E198 WeakPolarHBondContact O-CB 3.4Å; D194-E198 PolarHBondContact O-N 2.8Å; E198-C200 PolarHBondContact O-N 3.36Å; E198-Y201 PolarHBondContact O-N 3.4Å; E198-L202 HydrophobicContact CG-CD1 4.38Å; E198-L202 WeakPolarHBondContact O-CG 3.47Å; E198-L202 PolarHBondContact O-N 3.34Å; E198-I208 HydrophobicContact CG-CD1 3.95Å
199S93.6Very high93Very high55 Ų5545.9 Ų45.939%0.38522%0.22SC..Hα-helixtrans-60.2-35.2175.7-61.40000112.3S195 D196 S197 R203S195-S199 WeakPolarHBondContact O-CB 3.45Å; S195-S199 PolarHBondContact O-N 2.73Å; S195-S199 PolarHBondContact O-OG 3.49Å; D196-S199 WeakPolarHBondContact O-CB 3.37Å; D196-S199 PolarHBondContact O-N 3.04Å; S197-S199 VanDerWaalsContact C-N 3.28Å; S197-S199 PolarHBondContact O-N 3.18Å; S199-R203 WeakPolarHBondContact O-CB 3.48Å; S199-R203 PolarHBondContact O-N 2.83Å
200C93.3Very high92.5Very high9 Ų946 Ų466%0.06122%0.221CC..Hα-helixtrans-67.4-46.8173.5173.10000112.3K106 D196 S197 E198 L202 R203 R204K106-C200 PolarHBondContact O-SG 3.47Å; D196-C200 PolarHBondContact O-N 2.6Å; D196-C200 VanDerWaalsContact O-N 3.08Å; S197-C200 WeakPolarHBondContact O-CA 3.2Å; S197-C200 VanDerWaalsContact O-CB 3.24Å; S197-C200 WeakPolarHBondContact O-CB 3.43Å; S197-C200 PolarHBondContact O-N 3.24Å; E198-C200 PolarHBondContact O-N 3.36Å; C200-L202 VanDerWaalsContact C-N 3.32Å; C200-L202 PolarHBondContact O-N 3.15Å; C200-R203 PolarHBondContact O-N 3.48Å; C200-R204 WeakPolarHBondContact O-CB 3.44Å; C200-R204 WeakPolarHBondContact O-CG 3.45Å; C200-R204 PolarHBondContact O-N 3.05Å; C200-R204 WeakPolarHBondContact SG-CD 3.5Å
201Y93.9Very high91.7Very high1 Ų146.4 Ų46.40%0.00422%0.224CC..Hα-helixtrans-57.9-44.9175.5-82.1-92.9000111.2E56 W110 P113 I193 S197 E198 R204 R205 M206 I208 L212E56-Y201 WeakPolarHBondContact OE1-CE1 3.47Å; E56-Y201 PolarHBondContact OE1-OH 2.79Å; E56-Y201 VanDerWaalsContact OE1-OH 3.1Å; E56-Y201 PolarHBondContact OE2-OH 2.85Å; W110-Y201 HydrophobicContact CZ2-CE2 4.36Å; W110-Y201 WeakPolarHBondContact CZ2-OH 3.5Å; W110-Y201 AromaticContact NE1-CD2 3.92Å; W110-Y201 AromaticContact NE1-CE2 3.26Å; W110-Y201 VanDerWaalsContact NE1-CE2 3.26Å; W110-Y201 AromaticContact NE1-CZ 3.82Å; P113-Y201 VanDerWaalsContact CD-CZ 3.44Å; P113-Y201 WeakPolarHBondContact CD-OH 3.27Å; P113-Y201 HydrophobicContact CG-CE1 4.43Å; P113-Y201 HydrophobicContact CG-CE2 4.14Å; I193-Y201 HydrophobicContact CD1-CD2 3.46Å; I193-Y201 VanDerWaalsContact CD1-CD2 3.46Å; I193-Y201 HydrophobicContact CD1-CE2 3.62Å; I193-Y201 HydrophobicContact CD1-CG 4.4Å; S197-Y201 VanDerWaalsContact O-CD2 3.25Å; S197-Y201 WeakPolarHBondContact O-CD2 3.07Å; S197-Y201 PolarHBondContact O-N 3.43Å; E198-Y201 PolarHBondContact O-N 3.4Å; Y201-R204 CarbonylContact O-C 3.46Å; Y201-R204 PolarHBondContact O-N 3.27Å; Y201-R205 PolarHBondContact O-N 3.04Å; Y201-M206 HydrophobicContact CD1-CB 3.59Å; Y201-M206 HydrophobicContact CE1-CB 4.3Å; Y201-M206 HydrophobicContact CE1-CE 4.25Å; Y201-M206 HydrophobicContact CG-CB 4.42Å; Y201-M206 PolarHBondContact O-N 2.89Å; Y201-I208 HydrophobicContact CD1-CG1 3.97Å; Y201-I208 HydrophobicContact CD2-CG1 4.3Å; Y201-I208 HydrophobicContact CG-CG1 3.79Å; Y201-L212 HydrophobicContact CE1-CD1 4.26Å
202L92.2Very high91.2Very high116 Ų11646.5 Ų46.561%0.60722%0.224SC*.Hα-helixtrans-60.8-47.6176.5-70.2172.3000112.2E198 C200 R204 R205E198-L202 HydrophobicContact CG-CD1 4.38Å; E198-L202 WeakPolarHBondContact O-CG 3.47Å; E198-L202 PolarHBondContact O-N 3.34Å; C200-L202 VanDerWaalsContact C-N 3.32Å; C200-L202 PolarHBondContact O-N 3.15Å; L202-R204 VanDerWaalsContact C-N 3.31Å; L202-R204 PolarHBondContact O-N 3.16Å; L202-R205 PolarHBondContact O-N 2.95Å
203R92.2Very high90.7Very high211 Ų21147.1 Ų47.180%0.79623%0.23SC*.Hα-helixtrans-60.3-40.7178.2-172.6-169-50.5-148.72.4112.2S199 C200 R205S199-R203 WeakPolarHBondContact O-CB 3.48Å; S199-R203 PolarHBondContact O-N 2.83Å; C200-R203 PolarHBondContact O-N 3.48Å; R203-R205 PolarHBondContact O-N 3.06Å
204R91.2Very high90.3Very high38 Ų3851.6 Ų51.614%0.14325%0.25CS..THydrogen-bonded Turntrans-79.8-1.3178.7-66.9168.368.5-143.2-0.5112.8E56 C200 Y201 L202 M206E56-R204 IonicContact OE1-CZ 3.83Å; E56-R204 IonicContact OE1-NH1 3.63Å; E56-R204 PolarHBondContact OE1-NH1 3.36Å; E56-R204 IonicContact OE1-NH2 2.88Å; C200-R204 WeakPolarHBondContact O-CB 3.44Å; C200-R204 WeakPolarHBondContact O-CG 3.45Å; C200-R204 PolarHBondContact O-N 3.05Å; C200-R204 WeakPolarHBondContact SG-CD 3.5Å; Y201-R204 CarbonylContact O-C 3.46Å; Y201-R204 PolarHBondContact O-N 3.27Å; L202-R204 VanDerWaalsContact C-N 3.31Å; L202-R204 PolarHBondContact O-N 3.16Å; R204-M206 HydrophobicContact CB-CG 4Å; R204-M206 HydrophobicContact CB-SD 4.39Å; R204-M206 PolarHBondContact NH1-SD 3.19Å; R204-M206 PolarHBondContact NH2-SD 3.26Å; R204-M206 PolarHBondContact O-N 3.26Å
205R90.3Very high89.8Confident223 Ų22353 Ų5384%0.84226%0.263SS*.THydrogen-bonded Turntrans53.634.4-173.5-57.3-178.1177.6-177.6-1.1112.4Y201 L202 R203Y201-R205 PolarHBondContact O-N 3.04Å; L202-R205 PolarHBondContact O-N 2.95Å; R203-R205 PolarHBondContact O-N 3.06Å
206M89.8Confident89.5Confident10 Ų1051.9 Ų51.95%0.04925%0.252CS..  trans-92.9130.7176.6-73.1-170.668.600110.5L5 E56 F79 Y201 R204 L212L5-M206 HydrophobicContact CD1-SD 4.24Å; L5-M206 HydrophobicContact CD2-CE 4.42Å; L5-M206 HydrophobicContact CD2-CG 3.24Å; L5-M206 HydrophobicContact CD2-SD 3.35Å; L5-M206 WeakPolarHBondContact CD2-SD 3.01Å; L5-M206 HydrophobicContact CG-SD 4.44Å; E56-M206 HydrophobicContact CG-CE 3.85Å; E56-M206 WeakPolarHBondContact OE1-CE 3.45Å; F79-M206 HydrophobicContact CB-CE 4.21Å; F79-M206 HydrophobicContact CD1-CE 3.78Å; F79-M206 HydrophobicContact CD1-CG 4.46Å; F79-M206 HydrophobicContact CE1-CE 4.27Å; F79-M206 HydrophobicContact CG-CE 3.9Å; Y201-M206 HydrophobicContact CD1-CB 3.59Å; Y201-M206 HydrophobicContact CE1-CB 4.3Å; Y201-M206 HydrophobicContact CE1-CE 4.25Å; Y201-M206 HydrophobicContact CG-CB 4.42Å; Y201-M206 PolarHBondContact O-N 2.89Å; R204-M206 HydrophobicContact CB-CG 4Å; R204-M206 HydrophobicContact CB-SD 4.39Å; R204-M206 PolarHBondContact NH1-SD 3.19Å; R204-M206 PolarHBondContact NH2-SD 3.26Å; R204-M206 PolarHBondContact O-N 3.26Å; M206-L212 HydrophobicContact CE-CD1 3.77Å
207P89.7Confident89.3Confident45 Ų4553 Ų5329%0.29226%0.258SS..  trans-70.2144.3169.831.5-33.9000110F79 L209F79-P207 HydrophobicContact CE1-CG 4.2Å; F79-P207 HydrophobicContact CZ-CG 3.62Å; P207-L209 HydrophobicContact CB-CD1 4.38Å; P207-L209 HydrophobicContact CB-CD2 4.03Å; P207-L209 HydrophobicContact CB-CG 3.94Å; P207-L209 HydrophobicContact CG-CD1 3.8Å; P207-L209 HydrophobicContact CG-CD2 4.35Å; P207-L209 HydrophobicContact CG-CG 3.87Å; P207-L209 PolarHBondContact O-N 3.09Å
208I90.4Very high88.8Confident31 Ų3154.7 Ų54.716%0.15927%0.266CS..  trans-85.2101.1171.9-64.5155.8000107.4P113 V162 L191 I193 E198 Y201P113-I208 HydrophobicContact CB-CG2 3.88Å; P113-I208 HydrophobicContact CG-CG2 3.64Å; V162-I208 HydrophobicContact CB-CG2 4.33Å; V162-I208 HydrophobicContact CG1-CB 4.2Å; V162-I208 HydrophobicContact CG1-CG2 3.98Å; V162-I208 HydrophobicContact CG2-CD1 4.31Å; V162-I208 HydrophobicContact CG2-CG2 4.02Å; L191-I208 HydrophobicContact CD2-CG2 3.86Å; L191-I208 HydrophobicContact CG-CG2 4.26Å; I193-I208 HydrophobicContact CD1-CD1 4.11Å; I193-I208 HydrophobicContact CD1-CG1 4.22Å; I193-I208 HydrophobicContact CG2-CD1 4.12Å; E198-I208 HydrophobicContact CG-CD1 3.95Å; Y201-I208 HydrophobicContact CD1-CG1 3.97Å; Y201-I208 HydrophobicContact CD2-CG1 4.3Å; Y201-I208 HydrophobicContact CG-CG1 3.79Å
209L84.7Confident88.4Confident34 Ų3456.2 Ų56.218%0.17828%0.278CS..  trans-113145.6-175.4-60.3177.4000110.5D77 F79 P207 T211 L212 A213D77-L209 HydrophobicContact CB-CD1 4.43Å; F79-L209 HydrophobicContact CE2-CD1 4.13Å; F79-L209 HydrophobicContact CZ-CD1 4.28Å; P207-L209 HydrophobicContact CB-CD1 4.38Å; P207-L209 HydrophobicContact CB-CD2 4.03Å; P207-L209 HydrophobicContact CB-CG 3.94Å; P207-L209 HydrophobicContact CG-CD1 3.8Å; P207-L209 HydrophobicContact CG-CD2 4.35Å; P207-L209 HydrophobicContact CG-CG 3.87Å; P207-L209 PolarHBondContact O-N 3.09Å; L209-T211 PolarHBondContact O-N 3.31Å; L209-T211 VanDerWaalsContact O-N 3.15Å; L209-L212 HydrophobicContact CB-CG 4.38Å; L209-L212 PolarHBondContact O-N 3.44Å; L209-A213 PolarHBondContact O-N 3.24Å
210P82.6Confident88Confident4 Ų457.5 Ų57.53%0.02628%0.275CS..G310 helixtrans-51.6-34.5170.4-27.934.3000113.9L191 L212 A213 I319 I320 I323L191-P210 HydrophobicContact CD2-CG 4.09Å; P210-L212 PolarHBondContact O-N 3.02Å; P210-A213 VanDerWaalsContact O-CB 3.24Å; P210-A213 WeakPolarHBondContact O-CB 3.37Å; P210-A213 PolarHBondContact O-N 3Å; P210-I319 HydrophobicContact CB-CG2 4.4Å; P210-I319 HydrophobicContact CG-CG2 3.84Å; P210-I320 HydrophobicContact CB-CD1 4.11Å; P210-I320 HydrophobicContact CB-CG1 3.64Å; P210-I320 HydrophobicContact CG-CD1 4.41Å; P210-I320 HydrophobicContact CG-CG1 4.03Å; P210-I323 VanDerWaalsContact C-CD1 3.49Å; P210-I323 HydrophobicContact CB-CD1 3.75Å; P210-I323 WeakPolarHBondContact O-CD1 3.35Å
211T77Confident87.3Confident9 Ų964.8 Ų64.86%0.05530%0.302CS..G310 helixtrans-69.2-15.1179.550.80000114.7L209 N322 I323 Q326L209-T211 PolarHBondContact O-N 3.31Å; L209-T211 VanDerWaalsContact O-N 3.15Å; T211-N322 HydrophobicContact CG2-CB 3.81Å; T211-I323 HydrophobicContact CG2-CG1 3.91Å; T211-Q326 PolarHBondContact O-NE2 2.94Å; T211-Q326 VanDerWaalsContact O-NE2 3.13Å; T211-Q326 PolarHBondContact O-OE1 3.41Å
212L84.8Confident86.7Confident2 Ų265.4 Ų65.41%0.0131%0.308CS..G310 helixtrans-98.3-6.3173.6-60.1179.6000112N55 F79 R112 Y201 M206 L209 P210N55-L212 HydrophobicContact CB-CD2 3.73Å; F79-L212 HydrophobicContact CD2-CD1 4.13Å; F79-L212 HydrophobicContact CD2-CD2 3.91Å; F79-L212 HydrophobicContact CD2-CG 4.49Å; F79-L212 HydrophobicContact CE2-CD1 3.94Å; F79-L212 HydrophobicContact CE2-CD2 4.32Å; F79-L212 HydrophobicContact CE2-CG 4.45Å; F79-L212 HydrophobicContact CZ-CD1 4.41Å; R112-L212 WeakPolarHBondContact CD-O 3.44Å; Y201-L212 HydrophobicContact CE1-CD1 4.26Å; M206-L212 HydrophobicContact CE-CD1 3.77Å; L209-L212 HydrophobicContact CB-CG 4.38Å; L209-L212 PolarHBondContact O-N 3.44Å; P210-L212 PolarHBondContact O-N 3.02Å
213A87.6Confident86.4Confident14 Ų1461.2 Ų61.212%0.11629%0.285CS..SBendtrans-83.9150.7-17400000112.5P113 L115 L191 L209 P210P113-A213 HydrophobicContact CB-CB 4.02Å; P113-A213 CarbonylContact O-C 3.51Å; P113-A213 WeakPolarHBondContact O-CA 3.37Å; P113-A213 WeakPolarHBondContact O-CB 3.47Å; L115-A213 HydrophobicContact CB-CB 3.98Å; L191-A213 HydrophobicContact CD1-CB 3.51Å; L209-A213 PolarHBondContact O-N 3.24Å; P210-A213 VanDerWaalsContact O-CB 3.24Å; P210-A213 WeakPolarHBondContact O-CB 3.37Å; P210-A213 PolarHBondContact O-N 3Å
214E88.9Confident86Confident93 Ų9354.6 Ų54.644%0.43527%0.265SS..EExtended strand (participates in β ladder)trans-74.5135.8162.1-71.4175.3-175.100109.4R112 P113 R114 L115R112-E214 HydrophobicContact CB-CG 4Å; P113-E214 PolarHBondContact O-N 3.37Å; R114-E214 WeakPolarHBondContact CA-O 3.16Å; L115-E214 PolarHBondContact N-O 2.83Å
215S86.3Confident86.1Confident61 Ų6152.9 Ų52.943%0.42726%0.259SS..EExtended strand (participates in β ladder)trans-93.4116.6-177.3-680000110L218S215-L218 VanDerWaalsContact CB-CD1 3.48Å; S215-L218 WeakPolarHBondContact OG-CD1 3.35Å
216N87.6Confident86.2Confident44 Ų4448.2 Ų48.224%0.23525%0.246CC..EExtended strand (participates in β ladder)trans-118.1126.5-177.7-67.7-9.5000110.8L115 H117 A153 L218L115-N216 PolarHBondContact O-N 2.89Å; H117-N216 PolarHBondContact N-O 2.78Å; A153-N216 WeakPolarHBondContact O-CB 3.36Å; N216-L218 PolarHBondContact O-N 3.02Å; N216-L218 VanDerWaalsContact O-N 3.13Å
217N88Confident86.5Confident94 Ų9448.1 Ų48.150%0.50325%0.246SC..SBendtrans55.428.1175.7-163.444.8000114.6H117 A153H117-N217 WeakPolarHBondContact CB-O 3.44Å; H117-N217 PolarHBondContact O-ND2 3.46Å; A153-N217 HydrophobicContact CB-CB 4.33Å
218L86.8Confident86.8Confident35 Ų3550.9 Ų50.918%0.18326%0.258CS..  trans-63.4134.3178.7-64.2-174.6000110.4L115 H117 T189 S215 N216 Y220 Y313L115-L218 HydrophobicContact CD2-CD1 4.22Å; L115-L218 HydrophobicContact CD2-CD2 4.09Å; L115-L218 HydrophobicContact CG-CD2 4.23Å; H117-L218 HydrophobicContact CB-CD2 4.1Å; T189-L218 HydrophobicContact CG2-CD2 4.49Å; S215-L218 VanDerWaalsContact CB-CD1 3.48Å; S215-L218 WeakPolarHBondContact OG-CD1 3.35Å; N216-L218 PolarHBondContact O-N 3.02Å; N216-L218 VanDerWaalsContact O-N 3.13Å; L218-Y220 VanDerWaalsContact C-N 3.28Å; L218-Y220 PolarHBondContact O-N 2.82Å; L218-Y313 HydrophobicContact CD1-CE1 4.16Å; L218-Y313 WeakPolarHBondContact CD1-OH 3.42Å
219P85.4Confident87Confident52 Ų5254.2 Ų54.234%0.33827%0.271SS..SBendtrans-77.1-13.6-168.527.8-33.1000113.9Y312P219-Y312 HydrophobicContact CG-CD1 4.28Å; P219-Y312 HydrophobicContact CG-CD2 4.09Å; P219-Y312 HydrophobicContact CG-CE1 3.96Å; P219-Y312 HydrophobicContact CG-CE2 3.75Å; P219-Y312 HydrophobicContact CG-CG 4.34Å
220Y84.9Confident87.4Confident81 Ų8156.8 Ų56.832%0.31828%0.279SS..  trans-138.8146.1-176.5-55.1-76.5000110.7L218 Q308 G309 Y312 Y313L218-Y220 VanDerWaalsContact C-N 3.28Å; L218-Y220 PolarHBondContact O-N 2.82Å; Y220-Q308 HydrophobicContact CE1-CB 3.88Å; Y220-G309 VanDerWaalsContact CB-CA 3.5Å; Y220-G309 VanDerWaalsContact CD2-CA 3.47Å; Y220-Y312 AromaticContact CD2-CD1 3.8Å; Y220-Y312 HydrophobicContact CD2-CD1 3.8Å; Y220-Y312 HydrophobicContact CD2-CD2 4.41Å; Y220-Y312 AromaticContact CD2-CG 3.69Å; Y220-Y312 HydrophobicContact CD2-CG 3.69Å; Y220-Y312 HydrophobicContact CE2-CD1 4.42Å; Y220-Y312 HydrophobicContact CE2-CD2 4.26Å; Y220-Y312 AromaticContact CE2-CG 3.85Å; Y220-Y312 HydrophobicContact CE2-CG 3.85Å; Y220-Y313 WeakPolarHBondContact O-CE2 3.3Å; Y220-Y313 PolarHBondContact O-OH 2.82Å
221Y80Confident87.9Confident162 Ų16263.7 Ų63.764%0.63532%0.323SS*.  trans-133.7153177.252.3-87.4000110.2K223Y221-K223 HydrophobicContact CD2-CG 4.15Å; Y221-K223 HydrophobicContact CE2-CG 3.89Å
222A80.6Confident88.5Confident14 Ų1468.6 Ų68.612%0.11635%0.349CS..  trans-78.9139.8167.700000108.9T303 S304 M305 L327A222-T303 HydrophobicContact CB-CG2 3.93Å; A222-S304 CarbonylContact C-O 3.58Å; A222-S304 VanDerWaalsContact CA-O 3.28Å; A222-S304 WeakPolarHBondContact CA-O 3.5Å; A222-M305 HydrophobicContact CB-CE 3.91Å; A222-L327 HydrophobicContact CB-CB 4.07Å; A222-L327 HydrophobicContact CB-CD1 4.43Å
223K85.4Confident88.9Confident28 Ų2869.2 Ų69.212%0.12236%0.356CS..EExtended strand (participates in β ladder)trans-98.2135.5174.9-65.1175.1-177.9166.90109.4Y221 L225 G266 E268 E271 T303 S304Y221-K223 HydrophobicContact CD2-CG 4.15Å; Y221-K223 HydrophobicContact CE2-CG 3.89Å; K223-L225 HydrophobicContact CB-CD2 3.86Å; K223-L225 HydrophobicContact CB-CG 4.35Å; K223-L225 HydrophobicContact CD-CD2 4.32Å; K223-G266 PolarHBondContact NZ-O 2.91Å; K223-E268 IonicContact NZ-OE1 2.82Å; K223-E268 PolarHBondContact NZ-OE1 3.37Å; K223-E268 IonicContact NZ-OE2 3.44Å; K223-E268 PolarHBondContact NZ-OE2 2.93Å; K223-E271 WeakPolarHBondContact CD-OE1 3.37Å; K223-E271 VanDerWaalsContact CE-OE1 3.25Å; K223-E271 WeakPolarHBondContact CE-OE1 3.35Å; K223-E271 IonicContact NZ-OE1 3.92Å; K223-E271 PolarHBondContact NZ-OE1 3.24Å; K223-E271 IonicContact NZ-OE2 2.61Å; K223-T303 CarbonylContact O-C 3.6Å; K223-T303 WeakPolarHBondContact O-CA 3.5Å; K223-T303 WeakPolarHBondContact O-CG2 3.29Å; K223-S304 PolarHBondContact N-O 2.73Å; K223-S304 PolarHBondContact O-N 3.27Å
224N85Confident89.3Confident72 Ų7269.7 Ų69.739%0.38536%0.355SS..EExtended strand (participates in β ladder)trans-100.8102.2167.9-74.5-48.7000108.4T303N224-T303 WeakPolarHBondContact OD1-CG2 3.22Å; N224-T303 PolarHBondContact OD1-OG1 3.43Å
225L91.7Very high89.7Confident2 Ų265.6 Ų65.61%0.0134%0.338CS..EExtended strand (participates in β ladder)trans-89.2112.8-177.3-50175.8000108K223 L227 L253 A265 M267 T301 L302K223-L225 HydrophobicContact CB-CD2 3.86Å; K223-L225 HydrophobicContact CB-CG 4.35Å; K223-L225 HydrophobicContact CD-CD2 4.32Å; L225-L227 HydrophobicContact CB-CD1 3.89Å; L225-L227 WeakPolarHBondContact O-CD1 3.29Å; L225-L253 HydrophobicContact CD1-CD1 4.18Å; L225-A265 HydrophobicContact CB-CB 4.09Å; L225-A265 WeakPolarHBondContact CD2-O 3.32Å; L225-M267 HydrophobicContact CD1-CB 3.87Å; L225-M267 HydrophobicContact CD1-CE 3.8Å; L225-M267 HydrophobicContact CD1-CG 3.9Å; L225-T301 CarbonylContact O-C 3.55Å; L225-T301 VanDerWaalsContact O-CA 3.23Å; L225-T301 WeakPolarHBondContact O-CA 3.43Å; L225-L302 HydrophobicContact CB-CB 4.35Å; L225-L302 WeakPolarHBondContact CB-O 2.99Å; L225-L302 HydrophobicContact CD1-CB 4.49Å; L225-L302 PolarHBondContact N-O 3.35Å; L225-L302 PolarHBondContact O-N 3.05Å
226H92.9Very high90.2Very high126 Ų12664.1 Ų64.158%0.58332%0.323SS*.EExtended strand (participates in β ladder)trans-96.8104.5177.2-61.6-65.7000109.4T301H226-T301 WeakPolarHBondContact ND1-CG2 3.46Å; H226-T301 PolarHBondContact ND1-OG1 3.11Å
227L95.9Very high90.6Very high7 Ų765.6 Ų65.64%0.03733%0.331CS..EExtended strand (participates in β ladder)trans-102.3134-176.2-57.895000111.2L225 F234 F236 A262 A265 M267 K299 V300 L302L225-L227 HydrophobicContact CB-CD1 3.89Å; L225-L227 WeakPolarHBondContact O-CD1 3.29Å; L227-F234 HydrophobicContact CB-CD1 3.67Å; L227-F234 HydrophobicContact CB-CE1 3.96Å; L227-F234 HydrophobicContact CD2-CB 4.02Å; L227-F234 HydrophobicContact CD2-CD1 4.19Å; L227-F234 HydrophobicContact CD2-CG 4.37Å; L227-F236 HydrophobicContact CD2-CD1 4.19Å; L227-F236 HydrophobicContact CD2-CE1 4.11Å; L227-A262 HydrophobicContact CD2-CB 3.87Å; L227-A265 HydrophobicContact CG-CB 4.2Å; L227-M267 HydrophobicContact CD2-CE 3.97Å; L227-K299 WeakPolarHBondContact O-CA 3.39Å; L227-V300 HydrophobicContact CB-CG1 3.93Å; L227-V300 HydrophobicContact CD1-CG1 4.09Å; L227-V300 PolarHBondContact N-O 3.25Å; L227-V300 PolarHBondContact O-N 2.62Å; L227-L302 HydrophobicContact CD1-CB 4.18Å; L227-L302 HydrophobicContact CD1-CD1 3.8Å; L227-L302 HydrophobicContact CD1-CG 3.75Å
228L96.3Very high91Very high104 Ų10462.4 Ų62.455%0.54531%0.314SS..EExtended strand (participates in β ladder)trans-108.9124.7166.8-176.970.4000108.6R230 A261 D298 K299L228-R230 PolarHBondContact O-N 3.47Å; L228-A261 WeakPolarHBondContact O-CB 3.45Å; L228-D298 CarbonylContact C-O 3.54Å; L228-D298 WeakPolarHBondContact CA-O 3.5Å; L228-K299 HydrophobicContact CD1-CD 4.36Å; L228-K299 HydrophobicContact CD1-CG 3.66Å
229K94.1Very high91.4Very high101 Ų10166.3 Ų66.344%0.43933%0.326SS..  trans-66.1133.1-177.3-163.9-180176.9-171.60110.2F234 D298K229-F234 HydrophobicContact CB-CD1 4.06Å; K229-F234 HydrophobicContact CB-CE1 3.5Å; K229-F234 HydrophobicContact CB-CE2 4.49Å; K229-F234 HydrophobicContact CB-CZ 3.75Å; K229-F234 HydrophobicContact CD-CE2 4.41Å; K229-F234 HydrophobicContact CD-CZ 4.3Å; K229-F234 HydrophobicContact CG-CD1 4.35Å; K229-F234 HydrophobicContact CG-CE1 4.09Å; K229-F234 HydrophobicContact CG-CE2 4.34Å; K229-F234 HydrophobicContact CG-CZ 4.07Å; K229-D298 HydrophobicContact CB-CB 4.09Å; K229-D298 WeakPolarHBondContact CB-O 3.3Å; K229-D298 PolarHBondContact N-O 3.34Å
230R94.1Very high91.7Very high88 Ų8868.6 Ų68.633%0.33233%0.332SS..BIsolated β-bridgetrans-102.5172.3174.2-69.7-179.9176.8-163.6-12.4110.2L228 D232 G233 G259 A261 E264L228-R230 PolarHBondContact O-N 3.47Å; R230-D232 WeakPolarHBondContact CB-OD1 3.24Å; R230-D232 PolarHBondContact O-N 2.89Å; R230-G233 PolarHBondContact N-O 3.42Å; R230-G233 WeakPolarHBondContact O-CA 3.22Å; R230-G233 PolarHBondContact O-N 2.74Å; R230-G259 PolarHBondContact NH1-O 3.32Å; R230-A261 HydrophobicContact CG-CB 4.43Å; R230-E264 IonicContact CZ-OE1 2.83Å; R230-E264 IonicContact CZ-OE2 3.19Å; R230-E264 IonicContact NH1-OE1 3.93Å; R230-E264 PolarHBondContact NH1-OE1 2.78Å; R230-E264 IonicContact NH1-OE2 2.95Å; R230-E264 IonicContact NH2-OE1 3.38Å; R230-E264 PolarHBondContact NH2-OE1 2.91Å; R230-E264 IonicContact NH2-OE2 2.65Å; R230-E264 PolarHBondContact NH2-OE2 3.49Å
231P92.4Very high92Very high148 Ų14867.2 Ų67.296%0.96133%0.329SS*.THydrogen-bonded Turntrans-55.5-32.2177.9-27.636.9000114.1G233P231-G233 VanDerWaalsContact C-N 3.33Å
232D89.4Confident92.1Very high113 Ų11368.6 Ų68.660%0.60434%0.338SS*.THydrogen-bonded Turntrans-85.61.4174.857.7-23.3000113.7R230R230-D232 WeakPolarHBondContact CB-OD1 3.24Å; R230-D232 PolarHBondContact O-N 2.89Å
233G94Very high91.7Very high14 Ų1469.5 Ų69.514%0.14434%0.342CS..BIsolated β-bridgetrans98.8-142.5179.100000112.6R230 P231R230-G233 PolarHBondContact N-O 3.42Å; R230-G233 WeakPolarHBondContact O-CA 3.22Å; R230-G233 PolarHBondContact O-N 2.74Å; P231-G233 VanDerWaalsContact C-N 3.33Å
234F96.6Very high90.9Very high25 Ų2574.8 Ų74.811%0.1137%0.367CS..SBendtrans-97.9-16.4178.5-65.1-65.5000113L227 K229 F236 A262 I293 V300L227-F234 HydrophobicContact CB-CD1 3.67Å; L227-F234 HydrophobicContact CB-CE1 3.96Å; L227-F234 HydrophobicContact CD2-CB 4.02Å; L227-F234 HydrophobicContact CD2-CD1 4.19Å; L227-F234 HydrophobicContact CD2-CG 4.37Å; K229-F234 HydrophobicContact CB-CD1 4.06Å; K229-F234 HydrophobicContact CB-CE1 3.5Å; K229-F234 HydrophobicContact CB-CE2 4.49Å; K229-F234 HydrophobicContact CB-CZ 3.75Å; K229-F234 HydrophobicContact CD-CE2 4.41Å; K229-F234 HydrophobicContact CD-CZ 4.3Å; K229-F234 HydrophobicContact CG-CD1 4.35Å; K229-F234 HydrophobicContact CG-CE1 4.09Å; K229-F234 HydrophobicContact CG-CE2 4.34Å; K229-F234 HydrophobicContact CG-CZ 4.07Å; F234-F236 HydrophobicContact CB-CD1 3.6Å; F234-F236 HydrophobicContact CB-CE1 3.48Å; F234-F236 VanDerWaalsContact CB-CE1 3.48Å; F234-F236 HydrophobicContact CD2-CE1 4.24Å; F234-F236 HydrophobicContact CG-CE1 4.11Å; F234-A262 VanDerWaalsContact O-CB 3.26Å; F234-A262 WeakPolarHBondContact O-CB 3.39Å; F234-A262 PolarHBondContact O-N 3.11Å; F234-I293 HydrophobicContact CE2-CG2 4.25Å; F234-V300 HydrophobicContact CD1-CG1 4.28Å; F234-V300 HydrophobicContact CE1-CG1 3.73Å; F234-V300 HydrophobicContact CE2-CG1 4.03Å; F234-V300 HydrophobicContact CZ-CB 4.3Å; F234-V300 HydrophobicContact CZ-CG1 3.6Å
235G96.3Very high89.5Confident6 Ų677.3 Ų77.36%0.06239%0.388CS..SBendtrans70.444.9179.900000115V256 D257 S260G235-V256 WeakPolarHBondContact O-CA 3.29Å; G235-D257 VanDerWaalsContact CA-OD2 3.27Å; G235-D257 WeakPolarHBondContact CA-OD2 3.11Å; G235-D257 PolarHBondContact O-N 3.17Å; G235-S260 PolarHBondContact O-OG 2.83Å
236F97.1Very high87.8Confident30 Ų3081.2 Ų81.213%0.13241%0.413CS..  trans-148.8159.6169.274.6-85.1000110.4L227 F234 L238 L253 A262 M267 I293 L302L227-F236 HydrophobicContact CD2-CD1 4.19Å; L227-F236 HydrophobicContact CD2-CE1 4.11Å; F234-F236 HydrophobicContact CB-CD1 3.6Å; F234-F236 HydrophobicContact CB-CE1 3.48Å; F234-F236 VanDerWaalsContact CB-CE1 3.48Å; F234-F236 HydrophobicContact CD2-CE1 4.24Å; F234-F236 HydrophobicContact CG-CE1 4.11Å; F236-L238 HydrophobicContact CE2-CB 4.38Å; F236-L253 HydrophobicContact CD2-CD2 3.85Å; F236-L253 HydrophobicContact CE2-CD2 3.79Å; F236-A262 HydrophobicContact CB-CB 3.98Å; F236-A262 HydrophobicContact CD1-CB 4.08Å; F236-A262 HydrophobicContact CG-CB 4.44Å; F236-M267 HydrophobicContact CB-CE 4.28Å; F236-M267 HydrophobicContact CB-SD 3.55Å; F236-M267 VanDerWaalsContact CB-SD 3.55Å; F236-M267 HydrophobicContact CD1-CE 3.87Å; F236-M267 HydrophobicContact CD1-SD 4.28Å; F236-M267 HydrophobicContact CD2-CE 4.31Å; F236-M267 HydrophobicContact CD2-SD 4.17Å; F236-M267 HydrophobicContact CE1-CE 4.27Å; F236-M267 HydrophobicContact CG-CE 3.89Å; F236-M267 HydrophobicContact CG-SD 3.76Å; F236-I293 HydrophobicContact CZ-CD1 4.4Å; F236-L302 HydrophobicContact CE1-CD1 4.01Å; F236-L302 HydrophobicContact CE2-CD1 4.26Å; F236-L302 HydrophobicContact CZ-CD1 3.67Å
237L96.6Very high86.2Confident76 Ų7677.2 Ų77.240%0.39840%0.395SS..EExtended strand (participates in β ladder)trans-106.8139167-63.8-170.9000111.5R254 E255L237-R254 WeakPolarHBondContact CA-O 3.4Å; L237-R254 PolarHBondContact N-O 3.2Å; L237-R254 PolarHBondContact O-N 2.66Å; L237-E255 HydrophobicContact CB-CB 4.33Å; L237-E255 HydrophobicContact CD1-CB 4.08Å; L237-E255 HydrophobicContact CD1-CG 4.25Å; L237-E255 WeakPolarHBondContact CD1-OE1 3.48Å; L237-E255 WeakPolarHBondContact CD1-OE2 3.35Å; L237-E255 HydrophobicContact CG-CB 4.03Å
238L96.5Very high85Confident26 Ų2685.3 Ų85.314%0.13643%0.429CS..EExtended strand (participates in β ladder)trans-94.4121.9166-171.367.2000108.1F236 H251 L253 L273 H286 I289 V290 I293F236-L238 HydrophobicContact CE2-CB 4.38Å; L238-H251 HydrophobicContact CD1-CB 4Å; L238-L253 HydrophobicContact CD1-CD2 4.05Å; L238-L273 HydrophobicContact CD1-CB 4.28Å; L238-L273 HydrophobicContact CD1-CD2 3.73Å; L238-L273 HydrophobicContact CD2-CD2 4.37Å; L238-H286 PolarHBondContact O-CE1 2.77Å; L238-I289 HydrophobicContact CD2-CB 4.19Å; L238-I289 HydrophobicContact CD2-CG2 3.71Å; L238-V290 HydrophobicContact CD2-CG2 4.12Å; L238-I293 HydrophobicContact CD2-CD1 4.33Å
239R94.6Very high84.1Confident117 Ų11784.4 Ų84.444%0.44243%0.425SS..EExtended strand (participates in β ladder)trans-116.1151.4176.1-70.7-167.1174.1-169.6-7.5111.5E241 H251 V252 R254 E255R239-E241 HydrophobicContact CB-CG 4.25Å; R239-H251 CarbonylContact O-C 3.59Å; R239-H251 VanDerWaalsContact O-CA 3.32Å; R239-H251 WeakPolarHBondContact O-CA 3.39Å; R239-V252 PolarHBondContact N-O 3.42Å; R239-V252 PolarHBondContact O-N 3.05Å; R239-R254 HydrophobicContact CB-CG 4.28Å; R239-R254 HydrophobicContact CG-CB 4.27Å; R239-R254 HydrophobicContact CG-CG 4.25Å; R239-E255 IonicContact CZ-OE1 2.78Å; R239-E255 IonicContact NE-OE1 3.74Å; R239-E255 PolarHBondContact NE-OE1 3.41Å; R239-E255 IonicContact NH1-OE1 2.96Å; R239-E255 IonicContact NH2-OE1 2.8Å; R239-E255 PolarHBondContact NH2-OE1 3.27Å
240Q91.6Very high83.7Confident101 Ų10180 Ų8047%0.47241%0.407SS..EExtended strand (participates in β ladder)trans-100.3113.5171.4-174.4173.3-60.700108.5I249Q240-I249 HydrophobicContact CG-CG2 3.12Å
241E90.3Very high83.7Confident51 Ų5176.3 Ų76.324%0.23839%0.393CS..EExtended strand (participates in β ladder)trans-122.1148.5-174.3-62.6-175.8-16100111.3R239 V243 I249 A250 V252 R254R239-E241 HydrophobicContact CB-CG 4.25Å; E241-V243 PolarHBondContact O-N 2.74Å; E241-I249 CarbonylContact O-C 3.45Å; E241-I249 WeakPolarHBondContact O-CA 3.42Å; E241-A250 PolarHBondContact N-O 3.34Å; E241-A250 PolarHBondContact O-N 3.19Å; E241-V252 HydrophobicContact CB-CG2 3.76Å; E241-V252 HydrophobicContact CG-CB 4.27Å; E241-V252 HydrophobicContact CG-CG2 3.88Å; E241-R254 WeakPolarHBondContact OE1-CG 3.38Å; E241-R254 IonicContact OE1-CZ 3.87Å; E241-R254 IonicContact OE1-NE 2.69Å; E241-R254 PolarHBondContact OE1-NE 3.46Å; E241-R254 IonicContact OE1-NH2 3.56Å; E241-R254 PolarHBondContact OE1-NH2 3.21Å; E241-R254 IonicContact OE2-CZ 2.57Å; E241-R254 IonicContact OE2-NE 3.36Å; E241-R254 IonicContact OE2-NH2 3.64Å; E241-R254 PolarHBondContact OE2-NH2 2.6Å
242K82.3Confident83.7Confident191 Ų19169.4 Ų69.483%0.8335%0.349SS*.PPolyproline II helixtrans-77.4120.6171.7-68.2-177.5-179.71730108.5K248K242-K248 WeakPolarHBondContact CA-O 3.46Å
243V72.4Confident84Confident34 Ų3464 Ų6421%0.20632%0.32CS..PPolyproline II helixtrans-100.5158.2174.6-1700000108.8E241 Q247 A250 L272E241-V243 PolarHBondContact O-N 2.74Å; V243-Q247 CarbonylContact C-O 3.54Å; V243-Q247 HydrophobicContact CB-CB 4.37Å; V243-Q247 PolarHBondContact N-O 3.24Å; V243-A250 HydrophobicContact CB-CB 4.46Å; V243-A250 HydrophobicContact CG2-CB 3.4Å; V243-A250 VanDerWaalsContact CG2-CB 3.4Å; V243-L272 HydrophobicContact CG2-CD2 4.39Å
244E68.9Low84.2Confident138 Ų13866.6 Ų66.665%0.64533%0.325SS*.SBendtrans-52.7146.7176.2-69.3-172.7164.200111.4Q247 K311E244-Q247 PolarHBondContact O-N 2.82Å; E244-K311 IonicContact OE2-NZ 3.82Å
245P56.5Low84.1Confident125 Ų12569.6 Ų69.681%0.81234%0.34SS*.THydrogen-bonded Turntrans-52.2144.3-177.1-26.433.2000113.1
246P54Low84.1Confident84 Ų8470.8 Ų70.855%0.54535%0.346SS..THydrogen-bonded Turncis-98.45.78.137.8-36.9000115.6K248 R314P246-K248 VanDerWaalsContact C-N 3.35Å; P246-K248 PolarHBondContact O-N 2.54Å; P246-R314 VanDerWaalsContact CD-NH2 3.27Å
247Q61Low84Confident42 Ų4273.7 Ų73.720%0.19636%0.362CS..  trans-78.487.4172.7-98.7156.6-37.100109V243 E244 I249 R310V243-Q247 CarbonylContact C-O 3.54Å; V243-Q247 HydrophobicContact CB-CB 4.37Å; V243-Q247 PolarHBondContact N-O 3.24Å; E244-Q247 PolarHBondContact O-N 2.82Å; Q247-I249 PolarHBondContact O-N 3.1Å; Q247-I249 VanDerWaalsContact O-N 3.09Å; Q247-R310 VanDerWaalsContact NE2-NH2 3.12Å
248K69Low83.9Confident177 Ų17776.3 Ų76.377%0.7738%0.381SS*.SBendtrans-56.6-27.1-179.9-75.8-176.5177.2178.60112.6K242 P246K242-K248 WeakPolarHBondContact CA-O 3.46Å; P246-K248 VanDerWaalsContact C-N 3.35Å; P246-K248 PolarHBondContact O-N 2.54Å
249I79.4Confident83.8Confident86 Ų8676.8 Ų76.844%0.44139%0.393SS..  trans-149.6133.6-175.7-60.7-177.7000108.6Q240 E241 Q247Q240-I249 HydrophobicContact CG-CG2 3.12Å; E241-I249 CarbonylContact O-C 3.45Å; E241-I249 WeakPolarHBondContact O-CA 3.42Å; Q247-I249 PolarHBondContact O-N 3.1Å; Q247-I249 VanDerWaalsContact O-N 3.09Å
250A85.5Confident83.9Confident9 Ų971.3 Ų71.37%0.07437%0.372CS..EExtended strand (participates in β ladder)trans-137.9163.5169.400000111.2E241 V243 L272E241-A250 PolarHBondContact N-O 3.34Å; E241-A250 PolarHBondContact O-N 3.19Å; V243-A250 HydrophobicContact CB-CB 4.46Å; V243-A250 HydrophobicContact CG2-CB 3.4Å; V243-A250 VanDerWaalsContact CG2-CB 3.4Å; A250-L272 HydrophobicContact CB-CD2 3.92Å
251H92.4Very high84.2Confident9 Ų966.8 Ų66.84%0.04235%0.352CS..EExtended strand (participates in β ladder)trans-99.2123.4178.7-56.674.4000109.9L238 R239 L273 L284 H286 I289L238-H251 HydrophobicContact CD1-CB 4Å; R239-H251 CarbonylContact O-C 3.59Å; R239-H251 VanDerWaalsContact O-CA 3.32Å; R239-H251 WeakPolarHBondContact O-CA 3.39Å; H251-L273 HydrophobicContact CB-CB 4.44Å; H251-L273 PolarHBondContact O-N 2.96Å; H251-L284 PolarHBondContact CE1-O 2.88Å; H251-H286 AromaticContact CD2-ND1 3.64Å; H251-H286 WeakPolarHBondContact NE2-CA 3.17Å; H251-H286 PolarHBondContact NE2-N 3.41Å; H251-I289 HydrophobicContact CB-CD1 4.22Å; H251-I289 VanDerWaalsContact CD2-CD1 3.47Å; H251-I289 WeakPolarHBondContact CD2-CD1 3.34Å
252V94.1Very high84.5Confident4 Ų464.4 Ų64.42%0.02434%0.341CS..EExtended strand (participates in β ladder)trans-118.9134.4-171-170.50000109.1R239 E241 R254 E271 L272R239-V252 PolarHBondContact N-O 3.42Å; R239-V252 PolarHBondContact O-N 3.05Å; E241-V252 HydrophobicContact CB-CG2 3.76Å; E241-V252 HydrophobicContact CG-CB 4.27Å; E241-V252 HydrophobicContact CG-CG2 3.88Å; V252-R254 HydrophobicContact CB-CG 4.43Å; V252-R254 HydrophobicContact CG1-CG 4.06Å; V252-E271 WeakPolarHBondContact CA-O 3.32Å; V252-L272 HydrophobicContact CG2-CD2 4.11Å
253L95.9Very high85.1Confident0 Ų059.5 Ų59.50%032%0.321CS..EExtended strand (participates in β ladder)trans-80.2123.7172.6-59172.8000108.3L225 F236 L238 M267 G270 E271 L273 L302L225-L253 HydrophobicContact CD1-CD1 4.18Å; F236-L253 HydrophobicContact CD2-CD2 3.85Å; F236-L253 HydrophobicContact CE2-CD2 3.79Å; L238-L253 HydrophobicContact CD1-CD2 4.05Å; L253-M267 HydrophobicContact CB-CG 4.23Å; L253-M267 HydrophobicContact CB-SD 3.86Å; L253-M267 HydrophobicContact CD1-CE 4.04Å; L253-M267 HydrophobicContact CD1-CG 3.97Å; L253-M267 HydrophobicContact CD1-SD 3.97Å; L253-M267 HydrophobicContact CD2-CE 4.25Å; L253-M267 HydrophobicContact CD2-SD 4.21Å; L253-M267 HydrophobicContact CG-SD 4.22Å; L253-G270 PolarHBondContact O-N 3.09Å; L253-E271 HydrophobicContact CD1-CB 4.49Å; L253-E271 PolarHBondContact N-O 3.22Å; L253-L273 HydrophobicContact CD2-CB 4.35Å; L253-L273 HydrophobicContact CD2-CD1 4.47Å; L253-L273 HydrophobicContact CG-CB 4.4Å; L253-L302 HydrophobicContact CD2-CD1 4.4Å
254R96.3Very high86.2Confident67 Ų6763.9 Ų63.925%0.25334%0.339SS..EExtended strand (participates in β ladder)trans-138.4163.2-172.5-71.2-65.8-165-177.2-2.1111.7L237 R239 E241 V252 V256 D269L237-R254 WeakPolarHBondContact CA-O 3.4Å; L237-R254 PolarHBondContact N-O 3.2Å; L237-R254 PolarHBondContact O-N 2.66Å; R239-R254 HydrophobicContact CB-CG 4.28Å; R239-R254 HydrophobicContact CG-CB 4.27Å; R239-R254 HydrophobicContact CG-CG 4.25Å; E241-R254 WeakPolarHBondContact OE1-CG 3.38Å; E241-R254 IonicContact OE1-CZ 3.87Å; E241-R254 IonicContact OE1-NE 2.69Å; E241-R254 PolarHBondContact OE1-NE 3.46Å; E241-R254 IonicContact OE1-NH2 3.56Å; E241-R254 PolarHBondContact OE1-NH2 3.21Å; E241-R254 IonicContact OE2-CZ 2.57Å; E241-R254 IonicContact OE2-NE 3.36Å; E241-R254 IonicContact OE2-NH2 3.64Å; E241-R254 PolarHBondContact OE2-NH2 2.6Å; V252-R254 HydrophobicContact CB-CG 4.43Å; V252-R254 HydrophobicContact CG1-CG 4.06Å; R254-V256 VanDerWaalsContact C-N 3.34Å; R254-V256 PolarHBondContact O-N 2.83Å; R254-D269 WeakPolarHBondContact CA-OD1 3.46Å; R254-D269 WeakPolarHBondContact CD-OD1 3.36Å; R254-D269 WeakPolarHBondContact CD-OD2 3.35Å; R254-D269 IonicContact CZ-OD2 2.97Å; R254-D269 IonicContact NH1-OD2 3.78Å; R254-D269 PolarHBondContact NH1-OD2 2.88Å
255E94.6Very high87.4Confident89 Ų8958.6 Ų58.642%0.41632%0.32SS..  trans50.756.5171.5-68173.7-12800110.7L237 R239 D257 D269L237-E255 HydrophobicContact CB-CB 4.33Å; L237-E255 HydrophobicContact CD1-CB 4.08Å; L237-E255 HydrophobicContact CD1-CG 4.25Å; L237-E255 WeakPolarHBondContact CD1-OE1 3.48Å; L237-E255 WeakPolarHBondContact CD1-OE2 3.35Å; L237-E255 HydrophobicContact CG-CB 4.03Å; R239-E255 IonicContact CZ-OE1 2.78Å; R239-E255 IonicContact NE-OE1 3.74Å; R239-E255 PolarHBondContact NE-OE1 3.41Å; R239-E255 IonicContact NH1-OE1 2.96Å; R239-E255 IonicContact NH2-OE1 2.8Å; R239-E255 PolarHBondContact NH2-OE1 3.27Å; E255-D257 PolarHBondContact O-N 2.92Å; E255-D269 PolarHBondContact N-OD1 2.79Å
256V96.2Very high89.3Confident31 Ų3154.4 Ų54.419%0.18830%0.299CS..  trans-72.6115.8175.7-176.70000108G235 R254 A262 E263 M267G235-V256 WeakPolarHBondContact O-CA 3.29Å; R254-V256 VanDerWaalsContact C-N 3.34Å; R254-V256 PolarHBondContact O-N 2.83Å; V256-A262 HydrophobicContact CG1-CB 3.94Å; V256-E263 HydrophobicContact CG1-CB 3.86Å; V256-M267 HydrophobicContact CG1-CB 4.47Å; V256-M267 HydrophobicContact CG2-CB 4.24Å; V256-M267 HydrophobicContact CG2-CG 3.82Å; V256-M267 HydrophobicContact CG2-SD 3.82Å
257D95.9Very high91.2Very high90 Ų9050.9 Ų50.948%0.48128%0.275SS..  trans-72.6138.8-177.5-66.7-41.5000110.5G235 E255 G259 S260G235-D257 VanDerWaalsContact CA-OD2 3.27Å; G235-D257 WeakPolarHBondContact CA-OD2 3.11Å; G235-D257 PolarHBondContact O-N 3.17Å; E255-D257 PolarHBondContact O-N 2.92Å; D257-G259 PolarHBondContact O-N 3.01Å; D257-S260 WeakPolarHBondContact O-CB 3.47Å; D257-S260 PolarHBondContact O-N 3.49Å; D257-S260 VanDerWaalsContact O-N 3.15Å; D257-S260 PolarHBondContact O-OG 2.74Å
258V95.3Very high92.8Very high131 Ų13154.1 Ų54.179%0.79429%0.29SS*.THydrogen-bonded Turntrans-65.6132.3177.9178.40000110.2S260V258-S260 PolarHBondContact O-N 3.22Å
259G94.4Very high94.1Very high37 Ų3749.8 Ų49.838%0.38128%0.276SS..THydrogen-bonded Turntrans71.415.8-176.200000113.6R230 D257 E263R230-G259 PolarHBondContact NH1-O 3.32Å; D257-G259 PolarHBondContact O-N 3.01Å; G259-E263 PolarHBondContact N-OE2 3.2Å
260S96.4Very high94.7Very high1 Ų146.4 Ų46.41%0.00726%0.262CS..SBendtrans-82.2168177.867.40000113.3G235 D257 V258 A262 E263 E264G235-S260 PolarHBondContact O-OG 2.83Å; D257-S260 WeakPolarHBondContact O-CB 3.47Å; D257-S260 PolarHBondContact O-N 3.49Å; D257-S260 VanDerWaalsContact O-N 3.15Å; D257-S260 PolarHBondContact O-OG 2.74Å; V258-S260 PolarHBondContact O-N 3.22Å; S260-A262 PolarHBondContact O-N 3.02Å; S260-A262 PolarHBondContact OG-N 3.01Å; S260-E263 PolarHBondContact O-N 3.49Å; S260-E263 PolarHBondContact OG-N 3.45Å; S260-E263 VanDerWaalsContact OG-N 3.11Å; S260-E264 WeakPolarHBondContact O-CG 3.37Å; S260-E264 PolarHBondContact O-N 3.17Å; S260-E264 VanDerWaalsContact O-N 3.07Å
261A96.4Very high95Very high7 Ų746.3 Ų46.36%0.05826%0.26CS..Hα-helixtrans-62.2-29.5170.500000112.5L228 R230 A265L228-A261 WeakPolarHBondContact O-CB 3.45Å; R230-A261 HydrophobicContact CG-CB 4.43Å; A261-A265 VanDerWaalsContact O-CB 3.32Å; A261-A265 WeakPolarHBondContact O-CB 3.13Å; A261-A265 PolarHBondContact O-N 2.91Å; A261-A265 VanDerWaalsContact O-N 3.16Å
262A96.8Very high95Very high0 Ų046.1 Ų46.10%026%0.259CS..Hα-helixtrans-70.5-47.6176.400000112.1L227 F234 F236 V256 S260 A265 G266 M267L227-A262 HydrophobicContact CD2-CB 3.87Å; F234-A262 VanDerWaalsContact O-CB 3.26Å; F234-A262 WeakPolarHBondContact O-CB 3.39Å; F234-A262 PolarHBondContact O-N 3.11Å; F236-A262 HydrophobicContact CB-CB 3.98Å; F236-A262 HydrophobicContact CD1-CB 4.08Å; F236-A262 HydrophobicContact CG-CB 4.44Å; V256-A262 HydrophobicContact CG1-CB 3.94Å; S260-A262 PolarHBondContact O-N 3.02Å; S260-A262 PolarHBondContact OG-N 3.01Å; A262-A265 PolarHBondContact O-N 3.31Å; A262-G266 PolarHBondContact O-N 3.15Å; A262-M267 HydrophobicContact CB-CB 4.12Å; A262-M267 HydrophobicContact CB-CE 3.8Å; A262-M267 HydrophobicContact CB-SD 3.8Å; A262-M267 WeakPolarHBondContact O-CB 3.21Å; A262-M267 PolarHBondContact O-N 3.22Å
263E96Very high94.9Very high88 Ų8846.1 Ų46.141%0.41126%0.259SS..Hα-helixtrans-60.9-46.4176.7-170.9-176.4-124.200110.9V256 G259 S260 A265 G266V256-E263 HydrophobicContact CG1-CB 3.86Å; G259-E263 PolarHBondContact N-OE2 3.2Å; S260-E263 PolarHBondContact O-N 3.49Å; S260-E263 PolarHBondContact OG-N 3.45Å; S260-E263 VanDerWaalsContact OG-N 3.11Å; E263-A265 PolarHBondContact O-N 3.02Å; E263-G266 WeakPolarHBondContact O-CA 3.47Å; E263-G266 PolarHBondContact O-N 3.35Å
264E95.4Very high94.4Very high126 Ų12646.1 Ų46.159%0.58926%0.259SS*.Hα-helixtrans-62-30.8178-75.2178.2-170.200113.4R230 S260 G266R230-E264 IonicContact CZ-OE1 2.83Å; R230-E264 IonicContact CZ-OE2 3.19Å; R230-E264 IonicContact NH1-OE1 3.93Å; R230-E264 PolarHBondContact NH1-OE1 2.78Å; R230-E264 IonicContact NH1-OE2 2.95Å; R230-E264 IonicContact NH2-OE1 3.38Å; R230-E264 PolarHBondContact NH2-OE1 2.91Å; R230-E264 IonicContact NH2-OE2 2.65Å; R230-E264 PolarHBondContact NH2-OE2 3.49Å; S260-E264 WeakPolarHBondContact O-CG 3.37Å; S260-E264 PolarHBondContact O-N 3.17Å; S260-E264 VanDerWaalsContact O-N 3.07Å; E264-G266 PolarHBondContact O-N 3.18Å
265A94.7Very high93.9Very high28 Ų2843 Ų4323%0.23125%0.247CC..THydrogen-bonded Turntrans-75.3-6.4174.400000113.1L225 L227 A261 A262 E263L225-A265 HydrophobicContact CB-CB 4.09Å; L225-A265 WeakPolarHBondContact CD2-O 3.32Å; L227-A265 HydrophobicContact CG-CB 4.2Å; A261-A265 VanDerWaalsContact O-CB 3.32Å; A261-A265 WeakPolarHBondContact O-CB 3.13Å; A261-A265 PolarHBondContact O-N 2.91Å; A261-A265 VanDerWaalsContact O-N 3.16Å; A262-A265 PolarHBondContact O-N 3.31Å; E263-A265 PolarHBondContact O-N 3.02Å
266G94.9Very high93.7Very high36 Ų3638.8 Ų38.837%0.37123%0.228SC..THydrogen-bonded Turntrans8424.8-178.200000114.1K223 A262 E263 E264K223-G266 PolarHBondContact NZ-O 2.91Å; A262-G266 PolarHBondContact O-N 3.15Å; E263-G266 WeakPolarHBondContact O-CA 3.47Å; E263-G266 PolarHBondContact O-N 3.35Å; E264-G266 PolarHBondContact O-N 3.18Å
267M95.6Very high93.2Very high10 Ų1039 Ų395%0.04923%0.228CC..  trans-66.7131.5174.3-169.5177.4-65.500110.2L225 L227 F236 L253 V256 A262 L302L225-M267 HydrophobicContact CD1-CB 3.87Å; L225-M267 HydrophobicContact CD1-CE 3.8Å; L225-M267 HydrophobicContact CD1-CG 3.9Å; L227-M267 HydrophobicContact CD2-CE 3.97Å; F236-M267 HydrophobicContact CB-CE 4.28Å; F236-M267 HydrophobicContact CB-SD 3.55Å; F236-M267 VanDerWaalsContact CB-SD 3.55Å; F236-M267 HydrophobicContact CD1-CE 3.87Å; F236-M267 HydrophobicContact CD1-SD 4.28Å; F236-M267 HydrophobicContact CD2-CE 4.31Å; F236-M267 HydrophobicContact CD2-SD 4.17Å; F236-M267 HydrophobicContact CE1-CE 4.27Å; F236-M267 HydrophobicContact CG-CE 3.89Å; F236-M267 HydrophobicContact CG-SD 3.76Å; L253-M267 HydrophobicContact CB-CG 4.23Å; L253-M267 HydrophobicContact CB-SD 3.86Å; L253-M267 HydrophobicContact CD1-CE 4.04Å; L253-M267 HydrophobicContact CD1-CG 3.97Å; L253-M267 HydrophobicContact CD1-SD 3.97Å; L253-M267 HydrophobicContact CD2-CE 4.25Å; L253-M267 HydrophobicContact CD2-SD 4.21Å; L253-M267 HydrophobicContact CG-SD 4.22Å; V256-M267 HydrophobicContact CG1-CB 4.47Å; V256-M267 HydrophobicContact CG2-CB 4.24Å; V256-M267 HydrophobicContact CG2-CG 3.82Å; V256-M267 HydrophobicContact CG2-SD 3.82Å; A262-M267 HydrophobicContact CB-CB 4.12Å; A262-M267 HydrophobicContact CB-CE 3.8Å; A262-M267 HydrophobicContact CB-SD 3.8Å; A262-M267 WeakPolarHBondContact O-CB 3.21Å; A262-M267 PolarHBondContact O-N 3.22Å; M267-L302 HydrophobicContact CE-CD1 3.88Å
268E94.5Very high92Very high110 Ų11034.9 Ų34.951%0.51421%0.206SC..  trans-109.4138.9174.1-74170.5-153.700110.6K223 G270 E271K223-E268 IonicContact NZ-OE1 2.82Å; K223-E268 PolarHBondContact NZ-OE1 3.37Å; K223-E268 IonicContact NZ-OE2 3.44Å; K223-E268 PolarHBondContact NZ-OE2 2.93Å; E268-G270 PolarHBondContact O-N 3.49Å; E268-E271 HydrophobicContact CB-CG 3.92Å; E268-E271 WeakPolarHBondContact O-CG 3.36Å; E268-E271 PolarHBondContact O-N 3.03Å
269D94.4Very high91.1Very high87 Ų8730.5 Ų30.547%0.46518%0.179SC..THydrogen-bonded Turntrans-61.2131.3175-174.591.6000110.7R254 E255R254-D269 WeakPolarHBondContact CA-OD1 3.46Å; R254-D269 WeakPolarHBondContact CD-OD1 3.36Å; R254-D269 WeakPolarHBondContact CD-OD2 3.35Å; R254-D269 IonicContact CZ-OD2 2.97Å; R254-D269 IonicContact NH1-OD2 3.78Å; R254-D269 PolarHBondContact NH1-OD2 2.88Å; E255-D269 PolarHBondContact N-OD1 2.79Å
270G92.6Very high90.3Very high15 Ų1531.8 Ų31.816%0.15518%0.175CC..THydrogen-bonded Turntrans91.90.6179.700000114.8L253 E268L253-G270 PolarHBondContact O-N 3.09Å; E268-G270 PolarHBondContact O-N 3.49Å
271E92.4Very high89.7Confident7 Ų731.7 Ų31.73%0.03317%0.174CC..PPolyproline II helixtrans-71.2144.9174.2-71.2-170.8148.800112.5K223 V252 L253 E268 S304K223-E271 WeakPolarHBondContact CD-OE1 3.37Å; K223-E271 VanDerWaalsContact CE-OE1 3.25Å; K223-E271 WeakPolarHBondContact CE-OE1 3.35Å; K223-E271 IonicContact NZ-OE1 3.92Å; K223-E271 PolarHBondContact NZ-OE1 3.24Å; K223-E271 IonicContact NZ-OE2 2.61Å; V252-E271 WeakPolarHBondContact CA-O 3.32Å; L253-E271 HydrophobicContact CD1-CB 4.49Å; L253-E271 PolarHBondContact N-O 3.22Å; E268-E271 HydrophobicContact CB-CG 3.92Å; E268-E271 WeakPolarHBondContact O-CG 3.36Å; E268-E271 PolarHBondContact O-N 3.03Å; E271-S304 WeakPolarHBondContact OE2-CB 2.93Å; E271-S304 PolarHBondContact OE2-OG 2.72Å
272L91.5Very high88.9Confident4 Ų433.9 Ų33.92%0.02118%0.183CC..EExtended strand (participates in β ladder)trans-78.7130.9175.2-61.5174.4000109.8V243 A250 V252 L274 S304 M305 V307 R310V243-L272 HydrophobicContact CG2-CD2 4.39Å; A250-L272 HydrophobicContact CB-CD2 3.92Å; V252-L272 HydrophobicContact CG2-CD2 4.11Å; L272-L274 HydrophobicContact CB-CD2 4.24Å; L272-S304 CarbonylContact O-C 3.48Å; L272-S304 WeakPolarHBondContact O-CA 3.4Å; L272-M305 PolarHBondContact N-O 2.77Å; L272-M305 PolarHBondContact O-N 3.4Å; L272-V307 HydrophobicContact CD1-CG2 4.25Å; L272-V307 HydrophobicContact CD2-CG2 4.09Å; L272-V307 HydrophobicContact CG-CG2 3.92Å; L272-R310 HydrophobicContact CD1-CB 3.61Å; L272-R310 HydrophobicContact CD1-CG 3.77Å
273L92.4Very high88.1Confident5 Ų539.2 Ų39.23%0.02622%0.221CC..EExtended strand (participates in β ladder)trans-79.3122.1169.8-178.465.5000109.6L238 H251 L253 A275 V276 V281 I289 I293 L302L238-L273 HydrophobicContact CD1-CB 4.28Å; L238-L273 HydrophobicContact CD1-CD2 3.73Å; L238-L273 HydrophobicContact CD2-CD2 4.37Å; H251-L273 HydrophobicContact CB-CB 4.44Å; H251-L273 PolarHBondContact O-N 2.96Å; L253-L273 HydrophobicContact CD2-CB 4.35Å; L253-L273 HydrophobicContact CD2-CD1 4.47Å; L253-L273 HydrophobicContact CG-CB 4.4Å; L273-A275 WeakPolarHBondContact CD1-O 3.42Å; L273-V276 HydrophobicContact CD1-CG2 4.45Å; L273-V276 HydrophobicContact CD2-CG2 3.94Å; L273-V281 HydrophobicContact CD2-CG2 4.03Å; L273-V281 HydrophobicContact CG-CG2 3.88Å; L273-I289 HydrophobicContact CD2-CG2 3.61Å; L273-I293 HydrophobicContact CD2-CD1 4.44Å; L273-L302 HydrophobicContact CD1-CB 3.92Å; L273-L302 HydrophobicContact CD1-CD2 4.06Å; L273-L302 HydrophobicContact CD1-CG 4.39Å
274L86.4Confident87.6Confident0 Ų037.7 Ų37.70%022%0.215CC..EExtended strand (participates in β ladder)trans-108.6-33.8-175.5-59.1-178.6000112.4L272 V281 E282 T303 M305 V324 L328L272-L274 HydrophobicContact CB-CD2 4.24Å; L274-V281 PolarHBondContact O-N 2.98Å; L274-V281 VanDerWaalsContact O-N 3.16Å; L274-E282 HydrophobicContact CD2-CG 4.12Å; L274-T303 WeakPolarHBondContact CB-O 3.44Å; L274-T303 PolarHBondContact N-O 3.39Å; L274-M305 HydrophobicContact CD1-CB 3.48Å; L274-M305 VanDerWaalsContact CD1-CB 3.48Å; L274-M305 HydrophobicContact CD1-CE 4.3Å; L274-M305 HydrophobicContact CD1-SD 4.41Å; L274-M305 HydrophobicContact CG-CB 4.28Å; L274-V324 HydrophobicContact CD1-CG1 3.89Å; L274-L328 HydrophobicContact CB-CD1 3.75Å; L274-L328 HydrophobicContact CB-CD2 3.16Å; L274-L328 HydrophobicContact CB-CG 4.09Å; L274-L328 HydrophobicContact CD1-CD1 4.02Å; L274-L328 HydrophobicContact CD1-CD2 3.94Å; L274-L328 HydrophobicContact CD1-CG 4.34Å; L274-L328 HydrophobicContact CG-CD1 4.45Å; L274-L328 HydrophobicContact CG-CD2 4.19Å
275A85.5Confident87.4Confident0 Ų039 Ų390%022%0.221CC..EExtended strand (participates in β ladder)trans-150.4152.1177.600000113.4L273 D279 T303 L328L273-A275 WeakPolarHBondContact CD1-O 3.42Å; A275-D279 CarbonylContact C-O 3.44Å; A275-D279 WeakPolarHBondContact CA-O 3.41Å; A275-D279 VanDerWaalsContact CB-O 3.32Å; A275-D279 WeakPolarHBondContact CB-O 3.41Å; A275-T303 PolarHBondContact N-O 3.41Å; A275-T303 PolarHBondContact O-N 2.93Å; A275-L328 HydrophobicContact CB-CB 4.46Å; A275-L328 HydrophobicContact CB-CD2 3.71Å
276V89.4Confident87.3Confident1 Ų140.2 Ų40.21%0.00622%0.222CC..EExtended strand (participates in β ladder)trans-120.1117.1174.9177.10000109.4L273 G278 D279 V281 I289 L292 I293 V300 L302L273-V276 HydrophobicContact CD1-CG2 4.45Å; L273-V276 HydrophobicContact CD2-CG2 3.94Å; V276-G278 PolarHBondContact O-N 3.24Å; V276-D279 PolarHBondContact N-O 3.02Å; V276-D279 WeakPolarHBondContact O-CB 3.49Å; V276-D279 PolarHBondContact O-N 3.33Å; V276-V281 HydrophobicContact CB-CG1 3.84Å; V276-V281 HydrophobicContact CG2-CB 4.48Å; V276-V281 HydrophobicContact CG2-CG1 3.67Å; V276-V281 HydrophobicContact CG2-CG2 4.14Å; V276-I289 HydrophobicContact CG2-CG2 3.88Å; V276-L292 HydrophobicContact CB-CB 4.43Å; V276-L292 HydrophobicContact CG1-CB 4Å; V276-I293 HydrophobicContact CB-CG1 4.5Å; V276-I293 HydrophobicContact CG1-CG1 3.75Å; V276-I293 HydrophobicContact CG2-CD1 4.23Å; V276-I293 HydrophobicContact CG2-CG1 3.85Å; V276-V300 HydrophobicContact CG1-CG2 4.03Å; V276-L302 HydrophobicContact CB-CD2 4.4Å; V276-L302 HydrophobicContact CG1-CD2 4.23Å; V276-L302 HydrophobicContact CG2-CD2 3.9Å
277N85.3Confident87.3Confident36 Ų3646.1 Ų46.119%0.19324%0.24CC..THydrogen-bonded Turntrans48.516.3-160.2-52.2-58.2000113.1S296 V300 T301 L330 V331N277-S296 PolarHBondContact ND2-OG 2.85Å; N277-V300 WeakPolarHBondContact OD1-CA 3.12Å; N277-T301 WeakPolarHBondContact CA-O 2.91Å; N277-T301 PolarHBondContact N-O 3.4Å; N277-T301 PolarHBondContact OD1-N 3.05Å; N277-L330 CarbonylContact O-C 2.68Å; N277-L330 WeakPolarHBondContact O-CA 3.35Å; N277-L330 WeakPolarHBondContact O-CB 3.29Å; N277-V331 HydrophobicContact CB-CB 4.07Å; N277-V331 HydrophobicContact CB-CG1 4.34Å; N277-V331 HydrophobicContact CB-CG2 3.36Å; N277-V331 WeakPolarHBondContact O-CB 3.31Å; N277-V331 WeakPolarHBondContact O-CG2 3.38Å; N277-V331 PolarHBondContact O-N 2.86Å
278G72.6Confident87.2Confident3 Ų349 Ų493%0.03125%0.253CS..THydrogen-bonded Turntrans93.2-1.7-178.500000115.4V276 H280 L328 L330V276-G278 PolarHBondContact O-N 3.24Å; G278-H280 PolarHBondContact O-N 2.89Å; G278-L328 CarbonylContact C-O 3.56Å; G278-L328 WeakPolarHBondContact CA-O 3.43Å; G278-L330 CarbonylContact C-O 3.47Å; G278-L330 WeakPolarHBondContact CA-O 3.49Å
279D75.4Confident87.2Confident39 Ų3943.8 Ų43.821%0.20923%0.229CC..EExtended strand (participates in β ladder)trans-66.8123.7160.1-76.8-27.5000106.8A275 V276 V281 L330 V331 R332A275-D279 CarbonylContact C-O 3.44Å; A275-D279 WeakPolarHBondContact CA-O 3.41Å; A275-D279 VanDerWaalsContact CB-O 3.32Å; A275-D279 WeakPolarHBondContact CB-O 3.41Å; V276-D279 PolarHBondContact N-O 3.02Å; V276-D279 WeakPolarHBondContact O-CB 3.49Å; V276-D279 PolarHBondContact O-N 3.33Å; D279-V281 VanDerWaalsContact O-CG1 3.31Å; D279-V281 WeakPolarHBondContact O-CG1 3.17Å; D279-V281 PolarHBondContact O-N 3.36Å; D279-L330 PolarHBondContact N-O 2.92Å; D279-V331 HydrophobicContact CB-CG1 4.47Å; D279-V331 WeakPolarHBondContact OD1-CG1 3.43Å; D279-V331 VanDerWaalsContact OD2-CG1 3.24Å; D279-V331 WeakPolarHBondContact OD2-CG1 3.46Å; D279-R332 IonicContact OD2-CZ 2.72Å; D279-R332 IonicContact OD2-NE 2.85Å; D279-R332 PolarHBondContact OD2-NE 3.05Å; D279-R332 IonicContact OD2-NH2 3.27Å
280H77.1Confident87.2Confident64 Ų6441.1 Ų41.130%0.29622%0.216SC..EExtended strand (participates in β ladder)trans-61.3127.6176.8-77.7-67.9000111.3G278 L328G278-H280 PolarHBondContact O-N 2.89Å; H280-L328 WeakPolarHBondContact CE1-CB 3.27Å; H280-L328 VanDerWaalsContact CE1-CD1 3.43Å; H280-L328 WeakPolarHBondContact CE1-CD1 3.41Å
281V84.7Confident87.3Confident0 Ų048.1 Ų48.10%024%0.237CC..  trans-118.6-4.5-174.5-61.30000115L273 L274 V276 D279 S283 L284 I289 L292L273-V281 HydrophobicContact CD2-CG2 4.03Å; L273-V281 HydrophobicContact CG-CG2 3.88Å; L274-V281 PolarHBondContact O-N 2.98Å; L274-V281 VanDerWaalsContact O-N 3.16Å; V276-V281 HydrophobicContact CB-CG1 3.84Å; V276-V281 HydrophobicContact CG2-CB 4.48Å; V276-V281 HydrophobicContact CG2-CG1 3.67Å; V276-V281 HydrophobicContact CG2-CG2 4.14Å; D279-V281 VanDerWaalsContact O-CG1 3.31Å; D279-V281 WeakPolarHBondContact O-CG1 3.17Å; D279-V281 PolarHBondContact O-N 3.36Å; V281-S283 PolarHBondContact O-N 3.31Å; V281-S283 VanDerWaalsContact O-N 3.11Å; V281-L284 HydrophobicContact CB-CD1 4.05Å; V281-L284 HydrophobicContact CB-CG 4.47Å; V281-L284 HydrophobicContact CG1-CD1 3.87Å; V281-L284 WeakPolarHBondContact O-CB 3.43Å; V281-L284 PolarHBondContact O-N 3.26Å; V281-I289 HydrophobicContact CB-CD1 3.76Å; V281-I289 HydrophobicContact CB-CG1 3.89Å; V281-I289 HydrophobicContact CB-CG2 4.36Å; V281-I289 HydrophobicContact CG1-CG1 4.43Å; V281-I289 HydrophobicContact CG1-CG2 4.49Å; V281-I289 HydrophobicContact CG2-CD1 3.94Å; V281-I289 HydrophobicContact CG2-CG1 4.45Å; V281-I289 HydrophobicContact CG2-CG2 4.31Å; V281-I289 WeakPolarHBondContact O-CD1 3.37Å; V281-L292 HydrophobicContact CG1-CD1 3.92Å
282E80.1Confident87.4Confident52 Ų5248.6 Ų48.624%0.24324%0.24CC..THydrogen-bonded Turntrans-62.1-25.9-171.7-56.9-175.646.500115.2L274 R310L274-E282 HydrophobicContact CD2-CG 4.12Å; E282-R310 VanDerWaalsContact CD-NH1 3.32Å; E282-R310 IonicContact OE1-CZ 3.76Å; E282-R310 IonicContact OE1-NH1 3.52Å; E282-R310 PolarHBondContact OE1-NH1 3.04Å; E282-R310 IonicContact OE1-NH2 3.72Å; E282-R310 PolarHBondContact OE1-NH2 3.13Å; E282-R310 IonicContact OE2-CZ 2.58Å; E282-R310 IonicContact OE2-NH1 3.54Å; E282-R310 IonicContact OE2-NH2 3.24Å
283S78.9Confident87.6Confident113 Ų11349 Ų4979%0.7924%0.242SC*.THydrogen-bonded Turntrans-96.5-2176.960.90000113.1V281V281-S283 PolarHBondContact O-N 3.31Å; V281-S283 VanDerWaalsContact O-N 3.11Å
284L85.8Confident87.6Confident56 Ų5658.2 Ų58.229%0.29328%0.276SS..SBendtrans-85.1153.8-178.8-58.4-176.8000110.8H251 V281 E288 I289 L292H251-L284 PolarHBondContact CE1-O 2.88Å; V281-L284 HydrophobicContact CB-CD1 4.05Å; V281-L284 HydrophobicContact CB-CG 4.47Å; V281-L284 HydrophobicContact CG1-CD1 3.87Å; V281-L284 WeakPolarHBondContact O-CB 3.43Å; V281-L284 PolarHBondContact O-N 3.26Å; L284-E288 HydrophobicContact CD1-CG 4.28Å; L284-I289 HydrophobicContact CB-CD1 4.35Å; L284-I289 HydrophobicContact CB-CG1 3.86Å; L284-L292 HydrophobicContact CD1-CD1 3.68Å
285E90.6Very high88Confident152 Ų15266 Ų6671%0.7131%0.31SS*.  trans-72.5152.2172.3-62.8-172.5166.600111.1E287 E288 I289E285-E287 VanDerWaalsContact C-N 3.29Å; E285-E287 PolarHBondContact O-N 3.29Å; E285-E288 PolarHBondContact O-N 3.19Å; E285-I289 WeakPolarHBondContact O-CG1 3.12Å; E285-I289 PolarHBondContact O-N 3.45Å
286H93.1Very high88.3Confident54 Ų5467.4 Ų67.425%0.2532%0.32CS..Hα-helixtrans-51.8-44.9-176.3-178.286.3000113.7L238 H251 E288 I289 V290L238-H286 PolarHBondContact O-CE1 2.77Å; H251-H286 AromaticContact CD2-ND1 3.64Å; H251-H286 WeakPolarHBondContact NE2-CA 3.17Å; H251-H286 PolarHBondContact NE2-N 3.41Å; H286-E288 VanDerWaalsContact C-N 3.32Å; H286-E288 PolarHBondContact O-N 3.06Å; H286-I289 PolarHBondContact O-N 3.35Å; H286-V290 WeakPolarHBondContact O-CG2 3.36Å; H286-V290 PolarHBondContact O-N 3.07Å
287E94.4Very high88.5Confident161 Ų16169 Ų6975%0.75234%0.337SS*.Hα-helixtrans-62.7-37.8-179.3-65.8-175.4-179.800112.6E285 V290 R291E285-E287 VanDerWaalsContact C-N 3.29Å; E285-E287 PolarHBondContact O-N 3.29Å; E287-V290 PolarHBondContact O-N 3.26Å; E287-R291 WeakPolarHBondContact O-CB 3.48Å; E287-R291 PolarHBondContact O-N 3.33Å
288E93.8Very high89Confident71 Ų7172.1 Ų72.133%0.33235%0.354SS..Hα-helixtrans-69.6-38.4178.8-174.259.7-162.800111.1L284 E285 H286 R291 L292L284-E288 HydrophobicContact CD1-CG 4.28Å; E285-E288 PolarHBondContact O-N 3.19Å; H286-E288 VanDerWaalsContact C-N 3.32Å; H286-E288 PolarHBondContact O-N 3.06Å; E288-R291 WeakPolarHBondContact O-CB 3.11Å; E288-R291 PolarHBondContact O-N 2.91Å; E288-R291 WeakPolarHBondContact OE2-CD 3.44Å; E288-R291 IonicContact OE2-NH1 2.6Å; E288-L292 WeakPolarHBondContact O-CG 3.37Å; E288-L292 PolarHBondContact O-N 2.99Å
289I94.1Very high90.1Very high0 Ų079.3 Ų79.30%038%0.384CS..Hα-helixtrans-63.2-47174.2-54.2-174000110.8L238 H251 L273 V276 V281 L284 E285 H286 R291 L292 I293L238-I289 HydrophobicContact CD2-CB 4.19Å; L238-I289 HydrophobicContact CD2-CG2 3.71Å; H251-I289 HydrophobicContact CB-CD1 4.22Å; H251-I289 VanDerWaalsContact CD2-CD1 3.47Å; H251-I289 WeakPolarHBondContact CD2-CD1 3.34Å; L273-I289 HydrophobicContact CD2-CG2 3.61Å; V276-I289 HydrophobicContact CG2-CG2 3.88Å; V281-I289 HydrophobicContact CB-CD1 3.76Å; V281-I289 HydrophobicContact CB-CG1 3.89Å; V281-I289 HydrophobicContact CB-CG2 4.36Å; V281-I289 HydrophobicContact CG1-CG1 4.43Å; V281-I289 HydrophobicContact CG1-CG2 4.49Å; V281-I289 HydrophobicContact CG2-CD1 3.94Å; V281-I289 HydrophobicContact CG2-CG1 4.45Å; V281-I289 HydrophobicContact CG2-CG2 4.31Å; V281-I289 WeakPolarHBondContact O-CD1 3.37Å; L284-I289 HydrophobicContact CB-CD1 4.35Å; L284-I289 HydrophobicContact CB-CG1 3.86Å; E285-I289 WeakPolarHBondContact O-CG1 3.12Å; E285-I289 PolarHBondContact O-N 3.45Å; H286-I289 PolarHBondContact O-N 3.35Å; I289-R291 PolarHBondContact O-N 2.83Å; I289-L292 WeakPolarHBondContact O-CB 3.42Å; I289-L292 PolarHBondContact O-N 3.38Å; I289-L292 VanDerWaalsContact O-N 3.14Å; I289-I293 HydrophobicContact CG2-CD1 4.11Å; I289-I293 WeakPolarHBondContact O-CG1 3.25Å; I289-I293 PolarHBondContact O-N 3.32Å
290V95.3Very high91Very high31 Ų3177.5 Ų77.519%0.18837%0.374CS..Hα-helixtrans-58.8-41176.51710000110.6L238 H286 E287 I293 R294L238-V290 HydrophobicContact CD2-CG2 4.12Å; H286-V290 WeakPolarHBondContact O-CG2 3.36Å; H286-V290 PolarHBondContact O-N 3.07Å; E287-V290 PolarHBondContact O-N 3.26Å; V290-I293 PolarHBondContact O-N 2.92Å; V290-R294 HydrophobicContact CG1-CG 4.37Å; V290-R294 WeakPolarHBondContact O-CB 3.31Å; V290-R294 VanDerWaalsContact O-CG 3.31Å; V290-R294 WeakPolarHBondContact O-CG 3.28Å; V290-R294 PolarHBondContact O-N 3.39Å
291R95.4Very high91.7Very high161 Ų16175.7 Ų75.761%0.60837%0.368SS*.Hα-helixtrans-62-44.5175.3-173.5-172.1-179.2-177.12.9111.9E287 E288 I289 R294 K295E287-R291 WeakPolarHBondContact O-CB 3.48Å; E287-R291 PolarHBondContact O-N 3.33Å; E288-R291 WeakPolarHBondContact O-CB 3.11Å; E288-R291 PolarHBondContact O-N 2.91Å; E288-R291 WeakPolarHBondContact OE2-CD 3.44Å; E288-R291 IonicContact OE2-NH1 2.6Å; I289-R291 PolarHBondContact O-N 2.83Å; R291-R294 PolarHBondContact O-N 3.31Å; R291-K295 WeakPolarHBondContact O-CB 3.33Å; R291-K295 PolarHBondContact O-N 3.3Å
292L93.9Very high92.1Very high17 Ų1775.7 Ų75.79%0.08937%0.368CS..Hα-helixtrans-60.4-45.6176.7-71.2171.3000111.6V276 V281 L284 E288 I289 K295 S296V276-L292 HydrophobicContact CB-CB 4.43Å; V276-L292 HydrophobicContact CG1-CB 4Å; V281-L292 HydrophobicContact CG1-CD1 3.92Å; L284-L292 HydrophobicContact CD1-CD1 3.68Å; E288-L292 WeakPolarHBondContact O-CG 3.37Å; E288-L292 PolarHBondContact O-N 2.99Å; I289-L292 WeakPolarHBondContact O-CB 3.42Å; I289-L292 PolarHBondContact O-N 3.38Å; I289-L292 VanDerWaalsContact O-N 3.14Å; L292-K295 PolarHBondContact O-N 3.18Å; L292-S296 PolarHBondContact O-N 3.31Å; L292-S296 PolarHBondContact O-OG 3.39Å
293I94.9Very high92.5Very high14 Ų1473.2 Ų73.27%0.07236%0.356CS..Hα-helixtrans-62.2-50.3177.7-64.9170.4000110.1F234 F236 L238 L273 V276 I289 V290 K295 S296 L302F234-I293 HydrophobicContact CE2-CG2 4.25Å; F236-I293 HydrophobicContact CZ-CD1 4.4Å; L238-I293 HydrophobicContact CD2-CD1 4.33Å; L273-I293 HydrophobicContact CD2-CD1 4.44Å; V276-I293 HydrophobicContact CB-CG1 4.5Å; V276-I293 HydrophobicContact CG1-CG1 3.75Å; V276-I293 HydrophobicContact CG2-CD1 4.23Å; V276-I293 HydrophobicContact CG2-CG1 3.85Å; I289-I293 HydrophobicContact CG2-CD1 4.11Å; I289-I293 WeakPolarHBondContact O-CG1 3.25Å; I289-I293 PolarHBondContact O-N 3.32Å; V290-I293 PolarHBondContact O-N 2.92Å; I293-K295 VanDerWaalsContact C-N 3.34Å; I293-K295 PolarHBondContact O-N 3.18Å; I293-S296 WeakPolarHBondContact O-CB 3.36Å; I293-S296 PolarHBondContact O-N 2.96Å; I293-S296 VanDerWaalsContact O-N 3.07Å; I293-S296 PolarHBondContact O-OG 2.95Å; I293-L302 HydrophobicContact CD1-CD2 4.21Å; I293-L302 HydrophobicContact CG1-CD2 4.12Å
294R93.7Very high93Very high197 Ų19767.8 Ų67.874%0.74332%0.318SS*.Hα-helixtrans-61.8-39.8179.9-73.3177.1178.2173.21.1112.8V290 R291 S296 G297V290-R294 HydrophobicContact CG1-CG 4.37Å; V290-R294 WeakPolarHBondContact O-CB 3.31Å; V290-R294 VanDerWaalsContact O-CG 3.31Å; V290-R294 WeakPolarHBondContact O-CG 3.28Å; V290-R294 PolarHBondContact O-N 3.39Å; R291-R294 PolarHBondContact O-N 3.31Å; R294-S296 PolarHBondContact O-N 2.96Å; R294-G297 PolarHBondContact O-N 3.26Å
295K94.2Very high93.1Very high164 Ų16465.1 Ų65.171%0.71330%0.304SS*.Hα-helixtrans-64.6-21.5177.6-173.2179.4177.7-174.50112.5R291 L292 I293 G297R291-K295 WeakPolarHBondContact O-CB 3.33Å; R291-K295 PolarHBondContact O-N 3.3Å; L292-K295 PolarHBondContact O-N 3.18Å; I293-K295 VanDerWaalsContact C-N 3.34Å; I293-K295 PolarHBondContact O-N 3.18Å; K295-G297 PolarHBondContact O-N 3.05Å
296S92.3Very high93.1Very high30 Ų3059.2 Ų59.221%0.2128%0.28CS..THydrogen-bonded Turntrans-69.5-12.2177.9-51.80000112.9N277 L292 I293 R294 K299N277-S296 PolarHBondContact ND2-OG 2.85Å; L292-S296 PolarHBondContact O-N 3.31Å; L292-S296 PolarHBondContact O-OG 3.39Å; I293-S296 WeakPolarHBondContact O-CB 3.36Å; I293-S296 PolarHBondContact O-N 2.96Å; I293-S296 VanDerWaalsContact O-N 3.07Å; I293-S296 PolarHBondContact O-OG 2.95Å; R294-S296 PolarHBondContact O-N 2.96Å; S296-K299 VanDerWaalsContact CB-O 3.32Å; S296-K299 WeakPolarHBondContact CB-O 3.14Å; S296-K299 VanDerWaalsContact O-O 3.11Å
297G94.1Very high92.7Very high34 Ų3459.3 Ų59.335%0.35128%0.284SS..THydrogen-bonded Turntrans71.5-128.3179.100000111.2R294 K295R294-G297 PolarHBondContact O-N 3.26Å; K295-G297 PolarHBondContact O-N 3.05Å
298D95.4Very high92.3Very high102 Ų10257.2 Ų57.255%0.54527%0.274SS..THydrogen-bonded Turntrans-87.8-8.8-174.8-61-27.3000113.6L228 K229L228-D298 CarbonylContact C-O 3.54Å; L228-D298 WeakPolarHBondContact CA-O 3.5Å; K229-D298 HydrophobicContact CB-CB 4.09Å; K229-D298 WeakPolarHBondContact CB-O 3.3Å; K229-D298 PolarHBondContact N-O 3.34Å
299K94.8Very high91.8Very high153 Ų15353.9 Ų53.967%0.66526%0.259SS*.EExtended strand (participates in β ladder)trans-127.8124.4-179-66.7-179.7-177179.40109.8L227 L228 S296L227-K299 WeakPolarHBondContact O-CA 3.39Å; L228-K299 HydrophobicContact CD1-CD 4.36Å; L228-K299 HydrophobicContact CD1-CG 3.66Å; S296-K299 VanDerWaalsContact CB-O 3.32Å; S296-K299 WeakPolarHBondContact CB-O 3.14Å; S296-K299 VanDerWaalsContact O-O 3.11Å
300V94.7Very high91.2Very high2 Ų254.6 Ų54.61%0.01226%0.261CS..EExtended strand (participates in β ladder)trans-136.8138.8174.467.20000109.6L227 F234 V276 N277 L302L227-V300 HydrophobicContact CB-CG1 3.93Å; L227-V300 HydrophobicContact CD1-CG1 4.09Å; L227-V300 PolarHBondContact N-O 3.25Å; L227-V300 PolarHBondContact O-N 2.62Å; F234-V300 HydrophobicContact CD1-CG1 4.28Å; F234-V300 HydrophobicContact CE1-CG1 3.73Å; F234-V300 HydrophobicContact CE2-CG1 4.03Å; F234-V300 HydrophobicContact CZ-CB 4.3Å; F234-V300 HydrophobicContact CZ-CG1 3.6Å; V276-V300 HydrophobicContact CG1-CG2 4.03Å; N277-V300 WeakPolarHBondContact OD1-CA 3.12Å; V300-L302 HydrophobicContact CG1-CG 4.41Å; V300-L302 HydrophobicContact CG2-CD2 3.69Å; V300-L302 HydrophobicContact CG2-CG 4.3Å
301T91.6Very high90.4Very high25 Ų2557.9 Ų57.915%0.15327%0.273CS..EExtended strand (participates in β ladder)trans-104120.9168-60.20000108.3L225 H226 N277 L330L225-T301 CarbonylContact O-C 3.55Å; L225-T301 VanDerWaalsContact O-CA 3.23Å; L225-T301 WeakPolarHBondContact O-CA 3.43Å; H226-T301 WeakPolarHBondContact ND1-CG2 3.46Å; H226-T301 PolarHBondContact ND1-OG1 3.11Å; N277-T301 WeakPolarHBondContact CA-O 2.91Å; N277-T301 PolarHBondContact N-O 3.4Å; N277-T301 PolarHBondContact OD1-N 3.05Å; T301-L330 HydrophobicContact CG2-CD1 4.39Å
302L92.7Very high89.8Confident0 Ų051.3 Ų51.30%025%0.249CC..EExtended strand (participates in β ladder)trans-106.8137.6175.1-57.7179.1000108.5L225 L227 F236 L253 M267 L273 V276 I293 V300L225-L302 HydrophobicContact CB-CB 4.35Å; L225-L302 WeakPolarHBondContact CB-O 2.99Å; L225-L302 HydrophobicContact CD1-CB 4.49Å; L225-L302 PolarHBondContact N-O 3.35Å; L225-L302 PolarHBondContact O-N 3.05Å; L227-L302 HydrophobicContact CD1-CB 4.18Å; L227-L302 HydrophobicContact CD1-CD1 3.8Å; L227-L302 HydrophobicContact CD1-CG 3.75Å; F236-L302 HydrophobicContact CE1-CD1 4.01Å; F236-L302 HydrophobicContact CE2-CD1 4.26Å; F236-L302 HydrophobicContact CZ-CD1 3.67Å; L253-L302 HydrophobicContact CD2-CD1 4.4Å; M267-L302 HydrophobicContact CE-CD1 3.88Å; L273-L302 HydrophobicContact CD1-CB 3.92Å; L273-L302 HydrophobicContact CD1-CD2 4.06Å; L273-L302 HydrophobicContact CD1-CG 4.39Å; V276-L302 HydrophobicContact CB-CD2 4.4Å; V276-L302 HydrophobicContact CG1-CD2 4.23Å; V276-L302 HydrophobicContact CG2-CD2 3.9Å; I293-L302 HydrophobicContact CD1-CD2 4.21Å; I293-L302 HydrophobicContact CG1-CD2 4.12Å; V300-L302 HydrophobicContact CG1-CG 4.41Å; V300-L302 HydrophobicContact CG2-CD2 3.69Å; V300-L302 HydrophobicContact CG2-CG 4.3Å
303T88Confident89Confident0 Ų050.7 Ų50.70%025%0.245CC..EExtended strand (participates in β ladder)trans-106.4122.9170.8-46.60000109.6A222 K223 N224 L274 A275 L328A222-T303 HydrophobicContact CB-CG2 3.93Å; K223-T303 CarbonylContact O-C 3.6Å; K223-T303 WeakPolarHBondContact O-CA 3.5Å; K223-T303 WeakPolarHBondContact O-CG2 3.29Å; N224-T303 WeakPolarHBondContact OD1-CG2 3.22Å; N224-T303 PolarHBondContact OD1-OG1 3.43Å; L274-T303 WeakPolarHBondContact CB-O 3.44Å; L274-T303 PolarHBondContact N-O 3.39Å; A275-T303 PolarHBondContact N-O 3.41Å; A275-T303 PolarHBondContact O-N 2.93Å; T303-L328 HydrophobicContact CG2-CD2 3.17Å; T303-L328 HydrophobicContact CG2-CG 4.17Å
304S90.7Very high88Confident0 Ų054.6 Ų54.60%026%0.259CS..EExtended strand (participates in β ladder)trans-124.4162.9-176.367.40000112.5A222 K223 E271 L272A222-S304 CarbonylContact C-O 3.58Å; A222-S304 VanDerWaalsContact CA-O 3.28Å; A222-S304 WeakPolarHBondContact CA-O 3.5Å; K223-S304 PolarHBondContact N-O 2.73Å; K223-S304 PolarHBondContact O-N 3.27Å; E271-S304 WeakPolarHBondContact OE2-CB 2.93Å; E271-S304 PolarHBondContact OE2-OG 2.72Å; L272-S304 CarbonylContact O-C 3.48Å; L272-S304 WeakPolarHBondContact O-CA 3.4Å
305M87.8Confident86.9Confident0 Ų051.1 Ų51.10%025%0.251CS..EExtended strand (participates in β ladder)trans-152.6147.3172.5-176.4178.7-76.100110.5A222 L272 L274 G309 R310 Y313 V324A222-M305 HydrophobicContact CB-CE 3.91Å; L272-M305 PolarHBondContact N-O 2.77Å; L272-M305 PolarHBondContact O-N 3.4Å; L274-M305 HydrophobicContact CD1-CB 3.48Å; L274-M305 VanDerWaalsContact CD1-CB 3.48Å; L274-M305 HydrophobicContact CD1-CE 4.3Å; L274-M305 HydrophobicContact CD1-SD 4.41Å; L274-M305 HydrophobicContact CG-CB 4.28Å; M305-G309 VanDerWaalsContact SD-C 3.55Å; M305-R310 HydrophobicContact SD-CB 4.26Å; M305-R310 PolarHBondContact SD-N 3.4Å; M305-Y313 HydrophobicContact CE-CD2 3.73Å; M305-Y313 HydrophobicContact CE-CE2 3.75Å; M305-Y313 HydrophobicContact SD-CD2 3.72Å; M305-Y313 HydrophobicContact SD-CE2 4.18Å; M305-V324 HydrophobicContact CE-CB 4.45Å; M305-V324 HydrophobicContact CE-CG1 3.61Å; M305-V324 HydrophobicContact CE-CG2 4Å; M305-V324 HydrophobicContact SD-CG1 4.34Å
306S89.4Confident85.5Confident28 Ų2843.8 Ų43.820%0.19622%0.22CC..  trans-59.6149.5171.269.70000112.3Q308 G309 R310S306-Q308 PolarHBondContact O-N 3.08Å; S306-G309 PolarHBondContact O-N 3.4Å; S306-G309 VanDerWaalsContact O-N 3.15Å; S306-G309 PolarHBondContact OG-N 2.94Å; S306-R310 PolarHBondContact O-N 2.83Å
307V85.6Confident83.9Confident55 Ų5542.8 Ų42.833%0.33322%0.215SC..Hα-helixtrans-58.4-39.6176.7177.70000111L272 R310 K311L272-V307 HydrophobicContact CD1-CG2 4.25Å; L272-V307 HydrophobicContact CD2-CG2 4.09Å; L272-V307 HydrophobicContact CG-CG2 3.92Å; V307-R310 PolarHBondContact O-N 3.21Å; V307-K311 PolarHBondContact O-N 3.02Å
308Q86.3Confident81.8Confident118 Ų11849.9 Ų49.955%0.55124%0.236SC*.Hα-helixtrans-64.5-43.6176.9-64.575.911.100111.3Y220 S306 R310 K311 Y312Y220-Q308 HydrophobicContact CE1-CB 3.88Å; S306-Q308 PolarHBondContact O-N 3.08Å; Q308-R310 VanDerWaalsContact C-N 3.29Å; Q308-R310 PolarHBondContact O-N 3.01Å; Q308-K311 PolarHBondContact O-N 2.99Å; Q308-Y312 WeakPolarHBondContact O-CB 3.43Å; Q308-Y312 PolarHBondContact O-N 2.94Å
309G83.9Confident79.5Confident0 Ų048.7 Ų48.70%023%0.229CC..Hα-helixtrans-61.3-41175.400000112.3Y220 M305 S306 K311 Y312 Y313Y220-G309 VanDerWaalsContact CB-CA 3.5Å; Y220-G309 VanDerWaalsContact CD2-CA 3.47Å; M305-G309 VanDerWaalsContact SD-C 3.55Å; S306-G309 PolarHBondContact O-N 3.4Å; S306-G309 VanDerWaalsContact O-N 3.15Å; S306-G309 PolarHBondContact OG-N 2.94Å; G309-K311 PolarHBondContact O-N 2.93Å; G309-Y312 WeakPolarHBondContact O-CB 3.29Å; G309-Y312 PolarHBondContact O-N 2.89Å; G309-Y313 WeakPolarHBondContact O-CD2 3.45Å; G309-Y313 PolarHBondContact O-N 3.48Å
310R79.6Confident77.4Confident16 Ų1641.4 Ų41.46%0.0620%0.197CC..Hα-helixtrans-64.4-42.6175.8-178.155179.9-77.37.6112.6Q247 L272 E282 M305 S306 V307 Q308 Y313 R314Q247-R310 VanDerWaalsContact NE2-NH2 3.12Å; L272-R310 HydrophobicContact CD1-CB 3.61Å; L272-R310 HydrophobicContact CD1-CG 3.77Å; E282-R310 VanDerWaalsContact CD-NH1 3.32Å; E282-R310 IonicContact OE1-CZ 3.76Å; E282-R310 IonicContact OE1-NH1 3.52Å; E282-R310 PolarHBondContact OE1-NH1 3.04Å; E282-R310 IonicContact OE1-NH2 3.72Å; E282-R310 PolarHBondContact OE1-NH2 3.13Å; E282-R310 IonicContact OE2-CZ 2.58Å; E282-R310 IonicContact OE2-NH1 3.54Å; E282-R310 IonicContact OE2-NH2 3.24Å; M305-R310 HydrophobicContact SD-CB 4.26Å; M305-R310 PolarHBondContact SD-N 3.4Å; S306-R310 PolarHBondContact O-N 2.83Å; V307-R310 PolarHBondContact O-N 3.21Å; Q308-R310 VanDerWaalsContact C-N 3.29Å; Q308-R310 PolarHBondContact O-N 3.01Å; R310-Y313 PolarHBondContact O-N 2.6Å; R310-R314 WeakPolarHBondContact O-CB 3.46Å; R310-R314 PolarHBondContact O-N 2.8Å; R310-R314 VanDerWaalsContact O-N 3.11Å
311K80.4Confident75.1Confident100 Ų10043.3 Ų43.344%0.43521%0.207SC..Hα-helixtrans-61.1-45.6175.2-176.5172.2-178.4166.50111.2E244 V307 Q308 G309 R314 E315E244-K311 IonicContact OE2-NZ 3.82Å; V307-K311 PolarHBondContact O-N 3.02Å; Q308-K311 PolarHBondContact O-N 2.99Å; G309-K311 PolarHBondContact O-N 2.93Å; K311-R314 WeakPolarHBondContact O-CB 3.41Å; K311-R314 PolarHBondContact O-N 3Å; K311-E315 WeakPolarHBondContact CE-OE1 3.39Å; K311-E315 WeakPolarHBondContact CG-OE1 3.25Å; K311-E315 WeakPolarHBondContact O-CG 3.49Å; K311-E315 PolarHBondContact O-N 2.9Å
312Y81.8Confident72.9Confident23 Ų2343.5 Ų43.59%0.0921%0.207CC..Hα-helixtrans-55.8-54.6175.5168.7-95.6000111.8H117 T189 P219 Y220 Q308 G309 R314 E315 V316H117-Y312 AromaticContact CE1-CE2 3.77Å; H117-Y312 AromaticContact ND1-CE2 3.69Å; H117-Y312 AromaticContact ND1-CZ 3.88Å; H117-Y312 PolarHBondContact ND1-OH 2.88Å; T189-Y312 WeakPolarHBondContact CG2-OH 3.26Å; T189-Y312 PolarHBondContact OG1-OH 2.9Å; P219-Y312 HydrophobicContact CG-CD1 4.28Å; P219-Y312 HydrophobicContact CG-CD2 4.09Å; P219-Y312 HydrophobicContact CG-CE1 3.96Å; P219-Y312 HydrophobicContact CG-CE2 3.75Å; P219-Y312 HydrophobicContact CG-CG 4.34Å; Y220-Y312 AromaticContact CD2-CD1 3.8Å; Y220-Y312 HydrophobicContact CD2-CD1 3.8Å; Y220-Y312 HydrophobicContact CD2-CD2 4.41Å; Y220-Y312 AromaticContact CD2-CG 3.69Å; Y220-Y312 HydrophobicContact CD2-CG 3.69Å; Y220-Y312 HydrophobicContact CE2-CD1 4.42Å; Y220-Y312 HydrophobicContact CE2-CD2 4.26Å; Y220-Y312 AromaticContact CE2-CG 3.85Å; Y220-Y312 HydrophobicContact CE2-CG 3.85Å; Q308-Y312 WeakPolarHBondContact O-CB 3.43Å; Q308-Y312 PolarHBondContact O-N 2.94Å; G309-Y312 WeakPolarHBondContact O-CB 3.29Å; G309-Y312 PolarHBondContact O-N 2.89Å; Y312-R314 PolarHBondContact O-N 2.91Å; Y312-R314 VanDerWaalsContact O-N 3.15Å; Y312-E315 PolarHBondContact O-N 2.75Å; Y312-E315 VanDerWaalsContact O-N 3.11Å; Y312-V316 HydrophobicContact CD2-CG2 3.81Å; Y312-V316 HydrophobicContact CE1-CG2 4.42Å; Y312-V316 HydrophobicContact CE2-CG2 3.58Å; Y312-V316 HydrophobicContact CG-CG2 4.32Å; Y312-V316 WeakPolarHBondContact O-CB 3.39Å; Y312-V316 VanDerWaalsContact O-CG2 3.25Å; Y312-V316 WeakPolarHBondContact O-CG2 3.48Å; Y312-V316 PolarHBondContact O-N 2.88Å
313Y77.3Confident70.6Confident4 Ų443.8 Ų43.82%0.01621%0.208CC..Hα-helixtrans-66.8-19.4-178-74.7-57.7000114.2L218 Y220 M305 G309 R310 I320 V324L218-Y313 HydrophobicContact CD1-CE1 4.16Å; L218-Y313 WeakPolarHBondContact CD1-OH 3.42Å; Y220-Y313 WeakPolarHBondContact O-CE2 3.3Å; Y220-Y313 PolarHBondContact O-OH 2.82Å; M305-Y313 HydrophobicContact CE-CD2 3.73Å; M305-Y313 HydrophobicContact CE-CE2 3.75Å; M305-Y313 HydrophobicContact SD-CD2 3.72Å; M305-Y313 HydrophobicContact SD-CE2 4.18Å; G309-Y313 WeakPolarHBondContact O-CD2 3.45Å; G309-Y313 PolarHBondContact O-N 3.48Å; R310-Y313 PolarHBondContact O-N 2.6Å; Y313-I320 HydrophobicContact CD1-CG2 3.36Å; Y313-I320 HydrophobicContact CE1-CG2 3.9Å; Y313-I320 HydrophobicContact CG-CG2 4.36Å; Y313-V324 HydrophobicContact CD1-CG2 4.12Å; Y313-V324 HydrophobicContact CD2-CG2 3.58Å; Y313-V324 HydrophobicContact CE2-CG2 4.25Å; Y313-V324 HydrophobicContact CG-CG2 3.5Å
314R73.1Confident68.4Low96 Ų9644 Ų4436%0.36221%0.209SC..Hα-helixtrans-76.4-45.1171.5-175.1-168.6-173.198.134.6112.3P246 R310 K311 Y312 G317 L321P246-R314 VanDerWaalsContact CD-NH2 3.27Å; R310-R314 WeakPolarHBondContact O-CB 3.46Å; R310-R314 PolarHBondContact O-N 2.8Å; R310-R314 VanDerWaalsContact O-N 3.11Å; K311-R314 WeakPolarHBondContact O-CB 3.41Å; K311-R314 PolarHBondContact O-N 3Å; Y312-R314 PolarHBondContact O-N 2.91Å; Y312-R314 VanDerWaalsContact O-N 3.15Å; R314-G317 PolarHBondContact O-N 3.45Å; R314-L321 HydrophobicContact CB-CD1 4.07Å; R314-L321 HydrophobicContact CG-CD1 4.41Å
315E70.5Confident66.4Low124 Ų12446.7 Ų46.758%0.57922%0.221SC*.Hα-helixtrans-71.5-39.2-178.4-72.6175.9-177.200111.8K311 Y312 G317K311-E315 WeakPolarHBondContact CE-OE1 3.39Å; K311-E315 WeakPolarHBondContact CG-OE1 3.25Å; K311-E315 WeakPolarHBondContact O-CG 3.49Å; K311-E315 PolarHBondContact O-N 2.9Å; Y312-E315 PolarHBondContact O-N 2.75Å; Y312-E315 VanDerWaalsContact O-N 3.11Å; E315-G317 PolarHBondContact O-N 2.86Å
316V65.8Low64.1Low9 Ų949.7 Ų49.76%0.05524%0.235CC..THydrogen-bonded Turntrans-75.622.1174.3-1700000109.8W163 T189 Y312 I320W163-V316 HydrophobicContact CH2-CB 4.07Å; W163-V316 HydrophobicContact CH2-CG1 3.28Å; W163-V316 WeakPolarHBondContact CH2-O 3.24Å; W163-V316 HydrophobicContact CZ2-CG1 4.38Å; W163-V316 WeakPolarHBondContact CZ2-O 3.39Å; W163-V316 HydrophobicContact CZ3-CG1 3.78Å; T189-V316 HydrophobicContact CG2-CG1 3.7Å; Y312-V316 HydrophobicContact CD2-CG2 3.81Å; Y312-V316 HydrophobicContact CE1-CG2 4.42Å; Y312-V316 HydrophobicContact CE2-CG2 3.58Å; Y312-V316 HydrophobicContact CG-CG2 4.32Å; Y312-V316 WeakPolarHBondContact O-CB 3.39Å; Y312-V316 VanDerWaalsContact O-CG2 3.25Å; Y312-V316 WeakPolarHBondContact O-CG2 3.48Å; Y312-V316 PolarHBondContact O-N 2.88Å; V316-I320 HydrophobicContact CB-CD1 4.43Å; V316-I320 HydrophobicContact CG1-CD1 3.68Å; V316-I320 WeakPolarHBondContact O-CD1 3.4Å; V316-I320 WeakPolarHBondContact O-CG1 3.35Å
317G59.4Low61.7Low10 Ų1052 Ų5210%0.10325%0.245CC..  trans102.1139.516400000115.7R314 E315 I319 I320 L321R314-G317 PolarHBondContact O-N 3.45Å; E315-G317 PolarHBondContact O-N 2.86Å; G317-I319 PolarHBondContact O-N 2.75Å; G317-I320 PolarHBondContact O-N 2.59Å; G317-L321 PolarHBondContact O-N 3.35Å
318K49.2Very low59.3Low183 Ų18349.5 Ų49.580%0.79623%0.23SC*.Hα-helixtrans-52.5-25.6169.8-69.8-177.9179.51790113.3I320 L321K318-I320 VanDerWaalsContact C-N 3.28Å; K318-I320 PolarHBondContact O-N 2.69Å; K318-L321 WeakPolarHBondContact O-CB 3.41Å; K318-L321 PolarHBondContact O-N 3.12Å
319I48.2Very low56.7Low77 Ų7744.7 Ų44.740%0.39521%0.209SC..Hα-helixtrans-67.8-29.8177.3-59172.3000111.1P210 G317P210-I319 HydrophobicContact CB-CG2 4.4Å; P210-I319 HydrophobicContact CG-CG2 3.84Å; G317-I319 PolarHBondContact O-N 2.75Å
320I49Very low54.2Low0 Ų046.9 Ų46.90%022%0.221CC..Hα-helixtrans-89.4-17.5176.9-60.7-173.2000112.3L115 W163 P210 Y313 V316 G317 K318 N322 I323 V324L115-I320 HydrophobicContact CD1-CD1 3.93Å; L115-I320 HydrophobicContact CD2-CD1 3.81Å; W163-I320 HydrophobicContact CH2-CD1 3.87Å; W163-I320 HydrophobicContact CZ2-CD1 4.13Å; W163-I320 HydrophobicContact CZ3-CD1 4.42Å; P210-I320 HydrophobicContact CB-CD1 4.11Å; P210-I320 HydrophobicContact CB-CG1 3.64Å; P210-I320 HydrophobicContact CG-CD1 4.41Å; P210-I320 HydrophobicContact CG-CG1 4.03Å; Y313-I320 HydrophobicContact CD1-CG2 3.36Å; Y313-I320 HydrophobicContact CE1-CG2 3.9Å; Y313-I320 HydrophobicContact CG-CG2 4.36Å; V316-I320 HydrophobicContact CB-CD1 4.43Å; V316-I320 HydrophobicContact CG1-CD1 3.68Å; V316-I320 WeakPolarHBondContact O-CD1 3.4Å; V316-I320 WeakPolarHBondContact O-CG1 3.35Å; G317-I320 PolarHBondContact O-N 2.59Å; K318-I320 VanDerWaalsContact C-N 3.28Å; K318-I320 PolarHBondContact O-N 2.69Å; I320-N322 PolarHBondContact O-N 2.95Å; I320-N322 VanDerWaalsContact O-N 3.14Å; I320-I323 HydrophobicContact CB-CD1 4.34Å; I320-I323 HydrophobicContact CG1-CD1 4.1Å; I320-I323 HydrophobicContact CG2-CB 4.04Å; I320-I323 HydrophobicContact CG2-CD1 3.93Å; I320-I323 HydrophobicContact CG2-CG1 4.19Å; I320-I323 WeakPolarHBondContact O-CA 3.34Å; I320-I323 VanDerWaalsContact O-CB 3.29Å; I320-I323 WeakPolarHBondContact O-CB 3.47Å; I320-I323 PolarHBondContact O-N 3Å; I320-V324 PolarHBondContact O-N 3.04Å; I320-V324 VanDerWaalsContact O-N 3.09Å
321L46.1Very low51.8Low41 Ų4148.3 Ų48.322%0.21523%0.231CC..Hα-helixtrans-56-29.5164.5-119.193.7000111.3R314 G317 K318 I323 V324 K325R314-L321 HydrophobicContact CB-CD1 4.07Å; R314-L321 HydrophobicContact CG-CD1 4.41Å; G317-L321 PolarHBondContact O-N 3.35Å; K318-L321 WeakPolarHBondContact O-CB 3.41Å; K318-L321 PolarHBondContact O-N 3.12Å; L321-I323 VanDerWaalsContact C-N 3.34Å; L321-V324 PolarHBondContact O-N 3.01Å; L321-K325 WeakPolarHBondContact O-CG 3.5Å; L321-K325 PolarHBondContact O-N 2.95Å
322N46.1Very low49.3Very low29 Ų2950.6 Ų50.616%0.15524%0.237CC..Hα-helixtrans-71.3-24.1171.5-70.4-19000113.3T211 I320 K325 Q326T211-N322 HydrophobicContact CG2-CB 3.81Å; I320-N322 PolarHBondContact O-N 2.95Å; I320-N322 VanDerWaalsContact O-N 3.14Å; N322-K325 CarbonylContact O-C 3.56Å; N322-K325 WeakPolarHBondContact O-CB 3.25Å; N322-K325 PolarHBondContact O-N 3.11Å; N322-Q326 WeakPolarHBondContact O-CB 3.49Å; N322-Q326 PolarHBondContact O-N 2.82Å
323I44Very low46.7Very low7 Ų753.3 Ų53.34%0.03625%0.252CS..Hα-helixtrans-72.2-37.2170.3-58.1-175.8000110.2L115 P210 T211 I320 L321 K325 Q326 L327L115-I323 HydrophobicContact CD2-CD1 3.91Å; P210-I323 VanDerWaalsContact C-CD1 3.49Å; P210-I323 HydrophobicContact CB-CD1 3.75Å; P210-I323 WeakPolarHBondContact O-CD1 3.35Å; T211-I323 HydrophobicContact CG2-CG1 3.91Å; I320-I323 HydrophobicContact CB-CD1 4.34Å; I320-I323 HydrophobicContact CG1-CD1 4.1Å; I320-I323 HydrophobicContact CG2-CB 4.04Å; I320-I323 HydrophobicContact CG2-CD1 3.93Å; I320-I323 HydrophobicContact CG2-CG1 4.19Å; I320-I323 WeakPolarHBondContact O-CA 3.34Å; I320-I323 VanDerWaalsContact O-CB 3.29Å; I320-I323 WeakPolarHBondContact O-CB 3.47Å; I320-I323 PolarHBondContact O-N 3Å; L321-I323 VanDerWaalsContact C-N 3.34Å; I323-K325 VanDerWaalsContact C-N 3.32Å; I323-Q326 CarbonylContact O-C 3.6Å; I323-Q326 WeakPolarHBondContact O-CA 3.38Å; I323-Q326 WeakPolarHBondContact O-CB 3.33Å; I323-Q326 PolarHBondContact O-N 3.02Å; I323-L327 WeakPolarHBondContact O-CG 3.3Å; I323-L327 PolarHBondContact O-N 3.21Å
324V43.2Very low44.3Very low3 Ų355.6 Ų55.62%0.01827%0.269CS..Hα-helixtrans-64.5-41.1169.4-1730000109.4L274 M305 Y313 I320 L321 Q326 L327 L328L274-V324 HydrophobicContact CD1-CG1 3.89Å; M305-V324 HydrophobicContact CE-CB 4.45Å; M305-V324 HydrophobicContact CE-CG1 3.61Å; M305-V324 HydrophobicContact CE-CG2 4Å; M305-V324 HydrophobicContact SD-CG1 4.34Å; Y313-V324 HydrophobicContact CD1-CG2 4.12Å; Y313-V324 HydrophobicContact CD2-CG2 3.58Å; Y313-V324 HydrophobicContact CE2-CG2 4.25Å; Y313-V324 HydrophobicContact CG-CG2 3.5Å; I320-V324 PolarHBondContact O-N 3.04Å; I320-V324 VanDerWaalsContact O-N 3.09Å; L321-V324 PolarHBondContact O-N 3.01Å; V324-Q326 PolarHBondContact O-N 3.27Å; V324-L327 PolarHBondContact O-N 3.02Å; V324-L327 VanDerWaalsContact O-N 3.16Å; V324-L328 HydrophobicContact CG1-CD1 3.72Å; V324-L328 HydrophobicContact CG1-CG 4.34Å; V324-L328 VanDerWaalsContact O-CB 3.28Å; V324-L328 WeakPolarHBondContact O-CB 3.37Å; V324-L328 WeakPolarHBondContact O-CD1 3.37Å; V324-L328 WeakPolarHBondContact O-CG 3.44Å; V324-L328 PolarHBondContact O-N 2.95Å; V324-L328 VanDerWaalsContact O-N 3.13Å
325K47.3Very low42.1Very low57 Ų5756.6 Ų56.625%0.24829%0.288CS..Hα-helixtrans-58.7-33.9167.6-62.7-177.1179.5-1790113.1E12 L321 N322 I323 L327 L328 C329E12-K325 IonicContact OE1-NZ 3.72Å; E12-K325 PolarHBondContact OE1-NZ 2.85Å; L321-K325 WeakPolarHBondContact O-CG 3.5Å; L321-K325 PolarHBondContact O-N 2.95Å; N322-K325 CarbonylContact O-C 3.56Å; N322-K325 WeakPolarHBondContact O-CB 3.25Å; N322-K325 PolarHBondContact O-N 3.11Å; I323-K325 VanDerWaalsContact C-N 3.32Å; K325-L327 VanDerWaalsContact C-N 3.34Å; K325-L327 PolarHBondContact O-N 3.29Å; K325-L328 PolarHBondContact O-N 3.21Å; K325-C329 PolarHBondContact O-N 3.46Å
326Q40.8Very low40.1Very low63 Ų6355.5 Ų55.529%0.29429%0.285SS..Hα-helixtrans-66.9-32.9176.8-153.1171.27.100113S73 T211 N322 I323 V324S73-Q326 VanDerWaalsContact O-CA 3.3Å; S73-Q326 WeakPolarHBondContact O-CA 3.42Å; S73-Q326 WeakPolarHBondContact O-CB 3.34Å; S73-Q326 WeakPolarHBondContact O-CG 3.29Å; T211-Q326 PolarHBondContact O-NE2 2.94Å; T211-Q326 VanDerWaalsContact O-NE2 3.13Å; T211-Q326 PolarHBondContact O-OE1 3.41Å; N322-Q326 WeakPolarHBondContact O-CB 3.49Å; N322-Q326 PolarHBondContact O-N 2.82Å; I323-Q326 CarbonylContact O-C 3.6Å; I323-Q326 WeakPolarHBondContact O-CA 3.38Å; I323-Q326 WeakPolarHBondContact O-CB 3.33Å; I323-Q326 PolarHBondContact O-N 3.02Å; V324-Q326 PolarHBondContact O-N 3.27Å
327L37.8Very low38.4Very low77 Ų7759.4 Ų59.440%0.40331%0.312SS..Hα-helixtrans-82.2-14.2174.3-69.6163.9000113.1A222 I323 V324 K325A222-L327 HydrophobicContact CB-CB 4.07Å; A222-L327 HydrophobicContact CB-CD1 4.43Å; I323-L327 WeakPolarHBondContact O-CG 3.3Å; I323-L327 PolarHBondContact O-N 3.21Å; V324-L327 PolarHBondContact O-N 3.02Å; V324-L327 VanDerWaalsContact O-N 3.16Å; K325-L327 VanDerWaalsContact C-N 3.34Å; K325-L327 PolarHBondContact O-N 3.29Å
328L36.6Very low37.2Very low2 Ų267.6 Ų67.61%0.0135%0.348CS..Hα-helixtrans-102.3-18.5-168.2-80.8169000116.3L274 A275 G278 H280 T303 V324 K325 L330L274-L328 HydrophobicContact CB-CD1 3.75Å; L274-L328 HydrophobicContact CB-CD2 3.16Å; L274-L328 HydrophobicContact CB-CG 4.09Å; L274-L328 HydrophobicContact CD1-CD1 4.02Å; L274-L328 HydrophobicContact CD1-CD2 3.94Å; L274-L328 HydrophobicContact CD1-CG 4.34Å; L274-L328 HydrophobicContact CG-CD1 4.45Å; L274-L328 HydrophobicContact CG-CD2 4.19Å; A275-L328 HydrophobicContact CB-CB 4.46Å; A275-L328 HydrophobicContact CB-CD2 3.71Å; G278-L328 CarbonylContact C-O 3.56Å; G278-L328 WeakPolarHBondContact CA-O 3.43Å; H280-L328 WeakPolarHBondContact CE1-CB 3.27Å; H280-L328 VanDerWaalsContact CE1-CD1 3.43Å; H280-L328 WeakPolarHBondContact CE1-CD1 3.41Å; T303-L328 HydrophobicContact CG2-CD2 3.17Å; T303-L328 HydrophobicContact CG2-CG 4.17Å; V324-L328 HydrophobicContact CG1-CD1 3.72Å; V324-L328 HydrophobicContact CG1-CG 4.34Å; V324-L328 VanDerWaalsContact O-CB 3.28Å; V324-L328 WeakPolarHBondContact O-CB 3.37Å; V324-L328 WeakPolarHBondContact O-CD1 3.37Å; V324-L328 WeakPolarHBondContact O-CG 3.44Å; V324-L328 PolarHBondContact O-N 2.95Å; V324-L328 VanDerWaalsContact O-N 3.13Å; K325-L328 PolarHBondContact O-N 3.21Å; L328-L330 PolarHBondContact O-N 3.3Å
329C29.9Very low36.3Very low18 Ų1865 Ų6512%0.12234%0.341CS..  trans-83.9111.5-178-61.90000112.8R69 Q72 K325R69-C329 WeakPolarHBondContact CD-O 3.21Å; R69-C329 WeakPolarHBondContact CG-O 3.06Å; Q72-C329 HydrophobicContact CB-CB 4.15Å; K325-C329 PolarHBondContact O-N 3.46Å
330L33Very low35.5Very low46 Ų4666 Ų6624%0.24137%0.371CS..  trans-121.2161.9144.6-95.6156000105.9R69 N277 G278 D279 T301 L328R69-L330 VanDerWaalsContact CD-CG 3.47Å; R69-L330 HydrophobicContact CG-CD2 4.43Å; R69-L330 VanDerWaalsContact NH1-CD2 3.33Å; N277-L330 CarbonylContact O-C 2.68Å; N277-L330 WeakPolarHBondContact O-CA 3.35Å; N277-L330 WeakPolarHBondContact O-CB 3.29Å; G278-L330 CarbonylContact C-O 3.47Å; G278-L330 WeakPolarHBondContact CA-O 3.49Å; D279-L330 PolarHBondContact N-O 2.92Å; T301-L330 HydrophobicContact CG2-CD1 4.39Å; L328-L330 PolarHBondContact O-N 3.3Å
331V28.3Very low34.6Very low46 Ų4670.2 Ų70.228%0.27940%0.397SS..  trans79138.2174175.10000115.9Q72 N277 D279Q72-V331 PolarHBondContact NE2-O 3.28Å; Q72-V331 PolarHBondContact OE1-O 3.44Å; N277-V331 HydrophobicContact CB-CB 4.07Å; N277-V331 HydrophobicContact CB-CG1 4.34Å; N277-V331 HydrophobicContact CB-CG2 3.36Å; N277-V331 WeakPolarHBondContact O-CB 3.31Å; N277-V331 WeakPolarHBondContact O-CG2 3.38Å; N277-V331 PolarHBondContact O-N 2.86Å; D279-V331 HydrophobicContact CB-CG1 4.47Å; D279-V331 WeakPolarHBondContact OD1-CG1 3.43Å; D279-V331 VanDerWaalsContact OD2-CG1 3.24Å; D279-V331 WeakPolarHBondContact OD2-CG1 3.46Å
332R28.4Very low33.7Very low147 Ų14773.4 Ų73.456%0.55542%0.419SS*.  cis-133.1127.726.6-143.4175.3-123.4-165.2-6.5109.2D279D279-R332 IonicContact OD2-CZ 2.72Å; D279-R332 IonicContact OD2-NE 2.85Å; D279-R332 PolarHBondContact OD2-NE 3.05Å; D279-R332 IonicContact OD2-NH2 3.27Å
333I26.9Very low32.9Very low81 Ų8175.6 Ų75.642%0.41544%0.435SS..  trans-101.8111166.8-52.1140.3000105F65 C337F65-I333 HydrophobicContact CB-CD1 4.46Å; F65-I333 HydrophobicContact CD1-CD1 3.05Å; F65-I333 HydrophobicContact CD1-CG1 3.33Å; F65-I333 HydrophobicContact CD2-CD1 3.97Å; F65-I333 HydrophobicContact CE1-CB 4.05Å; F65-I333 HydrophobicContact CE1-CD1 3Å; F65-I333 HydrophobicContact CE1-CG1 3.19Å; F65-I333 HydrophobicContact CE1-CG2 3.72Å; F65-I333 HydrophobicContact CE2-CD1 3.9Å; F65-I333 HydrophobicContact CG-CD1 3.56Å; F65-I333 HydrophobicContact CG-CG1 4.29Å; F65-I333 HydrophobicContact CZ-CD1 3.43Å; F65-I333 VanDerWaalsContact CZ-CD1 3.43Å; F65-I333 HydrophobicContact CZ-CG1 4.04Å; F65-I333 HydrophobicContact CZ-CG2 4.17Å; I333-C337 HydrophobicContact CG2-CB 4.04Å
334S26.6Very low32.1Very low52 Ų5281.9 Ų81.936%0.36447%0.468SS..  trans-56.1131.6164.7-64.50000107.9L336 C337S334-L336 PolarHBondContact O-N 3.25Å; S334-C337 PolarHBondContact O-N 3.32Å
335P26.6Very low31.3Very low117 Ų11788.6 Ų88.676%0.7650%0.504SS*.G310 helixtrans-54.1-15.9174.9-25.734.1000113.7C337 Q338P335-C337 PolarHBondContact O-N 3Å; P335-Q338 PolarHBondContact O-N 2.82Å
336L28.8Very low30.6Very low101 Ų10195.3 Ų95.353%0.52953%0.533SS..G310 helixtrans-66.4-13.2175.5-69.4161.7000114.3S334 Q338 L339S334-L336 PolarHBondContact O-N 3.25Å; L336-Q338 PolarHBondContact O-N 3.39Å; L336-L339 PolarHBondContact O-N 3.41Å; L336-L339 VanDerWaalsContact O-O 3.09Å
337C31.3Very low30.1Very low91 Ų9196.9 Ų96.962%0.61555%0.545SS*.G310 helixtrans-73-0.3174.2-68.70000114.3I333 S334 P335I333-C337 HydrophobicContact CG2-CB 4.04Å; S334-C337 PolarHBondContact O-N 3.32Å; P335-C337 PolarHBondContact O-N 3Å
338Q33.5Very low29.7Very low182 Ų18297.9 Ų97.985%0.8555%0.552SS**G310 helixtrans-92.8-10.6172.1-69.5-170.1-10.900114.1P335 L336P335-Q338 PolarHBondContact O-N 2.82Å; L336-Q338 PolarHBondContact O-N 3.39Å
339L30.7Very low29.3Very low127 Ų127103.3 Ų103.367%0.66558%0.582SS**THydrogen-bonded Turntrans-136106.3-174.7-73.8159.5000107.6L336 V341L336-L339 PolarHBondContact O-N 3.41Å; L336-L339 VanDerWaalsContact O-O 3.09Å; L339-V341 WeakPolarHBondContact O-CG2 3.49Å; L339-V341 PolarHBondContact O-N 2.99Å
340G30.3Very low29.3Very low98 Ų98108.3 Ų108.3100%1.0161%0.609SS**THydrogen-bonded Turntrans-43.773.7-174.500000117
341V29.8Very low29Very low90 Ų90112.2 Ų112.255%0.54563%0.632SS.*  trans-122.9134.3175.2177.90000105.9L339L339-V341 WeakPolarHBondContact O-CG2 3.49Å; L339-V341 PolarHBondContact O-N 2.99Å
342P26.8Very low29.1Very low107 Ų107116.6 Ų116.670%0.69566%0.656SS**PPolyproline II helixtrans-58.6142.1-170.122.2-33.4000111.7
343P29.3Very low29.1Very low75 Ų75114.4 Ų114.449%0.48766%0.663SS.*PPolyproline II helixtrans-65142.5176.8-11.926.2000110.9
344L27.4Very low29.3Very low139 Ų139117 Ų11773%0.72868%0.682SS**PPolyproline II helixtrans-64.9133.9164.4-75.8158.5000109.3F346L344-F346 WeakPolarHBondContact O-CD2 3.49Å
345L26.7Very low29.5Very low145 Ų145122.4 Ų122.476%0.75971%0.709SS**  trans-44.4134.3171.8-72.1148000111.9
346F32.8Very low29.8Very low197 Ų197122.9 Ų122.986%0.86470%0.704SS**  trans-1300167.5-76.7-72.8000111.4S15 L344S15-F346 WeakPolarHBondContact CB-O 3.46Å; S15-F346 PolarHBondContact OG-O 3.33Å; L344-F346 WeakPolarHBondContact O-CD2 3.49Å

Retrieved 346 of 346 residues in 592.4 ms (Link to these results)

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