A0A060WWK9_ONCMY Loading...

non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession A0A060WWK9, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110529687, Length 474 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
1M41.4Very low79.7Confident238 Ų23894.2 Ų94.2100%1.17251%0.509SS*.  0119.60-75.7172.5-179.200106.5
2G51.5Low80.8Confident74 Ų7486.4 Ų86.476%0.76347%0.467SS*.  trans-70.9153.9-179.300000111.7
3E68.1Low81.6Confident178 Ų17883.6 Ų83.683%0.83245%0.449SS*.  trans-65.8131175.5-159170.4-166.200109.8V5E3-V5 PolarHBondContact O-N 2.91Å
4V77.3Confident82.1Confident78 Ų7878.6 Ų78.647%0.47342%0.422SS..  trans-79115.4178.91790000108.7K30 D32V4-K30 HydrophobicContact CG1-CB 3.95Å; V4-K30 HydrophobicContact CG1-CD 4.03Å; V4-K30 HydrophobicContact CG1-CG 4.48Å; V4-D32 HydrophobicContact CG1-CB 4.02Å; V4-D32 HydrophobicContact CG2-CB 4.1Å
5V86.9Confident82.1Confident80 Ų8077.9 Ų77.949%0.48541%0.411SS..  trans-114.6153.1-175.8-65.20000111.7E3 V7 K30 S31E3-V5 PolarHBondContact O-N 2.91Å; V5-V7 PolarHBondContact O-N 2.79Å; V5-K30 CarbonylContact O-C 3.53Å; V5-K30 VanDerWaalsContact O-CA 3.3Å; V5-K30 WeakPolarHBondContact O-CA 3.5Å; V5-S31 PolarHBondContact N-OG 2.63Å; V5-S31 PolarHBondContact O-N 3.13Å
6I88.3Confident81.2Confident60 Ų6073.6 Ų73.631%0.30839%0.391SS..EExtended strand (participates in β ladder)trans-74.7121.6172.8-61.1173000108.4E9 L28 L29 K30 I45I6-E9 HydrophobicContact CG2-CB 4.24Å; I6-L28 HydrophobicContact CD1-CD1 4.39Å; I6-L28 HydrophobicContact CD1-CD2 4.45Å; I6-L29 CarbonylContact C-O 3.54Å; I6-K30 HydrophobicContact CG1-CG 4.46Å; I6-I45 HydrophobicContact CD1-CD1 3.7Å; I6-I45 HydrophobicContact CD1-CG1 4.29Å
7V91.4Very high79.9Confident64 Ų6472.7 Ų72.739%0.38838%0.384SS..EExtended strand (participates in β ladder)trans-88.2-39.4178.3177.40000110.9V5 L29 V107V5-V7 PolarHBondContact O-N 2.79Å; V7-L29 HydrophobicContact CB-CD2 4.41Å; V7-L29 HydrophobicContact CB-CG 4.34Å; V7-L29 HydrophobicContact CG1-CD2 4.33Å; V7-L29 PolarHBondContact N-O 3.26Å; V7-V107 HydrophobicContact CB-CG2 4.14Å; V7-V107 HydrophobicContact CG1-CG2 3.89Å; V7-V107 HydrophobicContact CG2-CG2 3.88Å
8K92.8Very high78.4Confident42 Ų4274.2 Ų74.218%0.18338%0.384CS..EExtended strand (participates in β ladder)trans-153.7143.5175.6-168.9171.7175.8700111L29 W100 A103K8-L29 HydrophobicContact CB-CB 4.34Å; K8-L29 HydrophobicContact CB-CD2 4.46Å; K8-L29 PolarHBondContact N-O 3.47Å; K8-L29 PolarHBondContact O-N 3.12Å; K8-W100 HydrophobicContact CB-CE3 4.47Å; K8-W100 HydrophobicContact CB-CH2 4.37Å; K8-W100 HydrophobicContact CB-CZ3 3.99Å; K8-W100 HydrophobicContact CD-CD2 3.7Å; K8-W100 HydrophobicContact CD-CE3 3.58Å; K8-W100 HydrophobicContact CD-CG 4.23Å; K8-W100 HydrophobicContact CD-CH2 4.29Å; K8-W100 HydrophobicContact CD-CZ2 4.4Å; K8-W100 HydrophobicContact CD-CZ3 3.87Å; K8-W100 HydrophobicContact CG-CD2 4.36Å; K8-W100 HydrophobicContact CG-CE3 4.05Å; K8-W100 HydrophobicContact CG-CH2 3.89Å; K8-W100 HydrophobicContact CG-CZ2 4.21Å; K8-W100 HydrophobicContact CG-CZ3 3.78Å; K8-A103 HydrophobicContact CB-CB 4.21Å; K8-A103 HydrophobicContact CD-CB 3.82Å
9E93.6Very high77.3Confident78 Ų7871.9 Ų71.936%0.36437%0.372SS..EExtended strand (participates in β ladder)trans-135.4156.1171.660.5169.7-17000112.2I6 Y26 F27 L28 R41I6-E9 HydrophobicContact CG2-CB 4.24Å; E9-Y26 HydrophobicContact CB-CE1 4Å; E9-Y26 HydrophobicContact CG-CE1 4.48Å; E9-Y26 WeakPolarHBondContact CG-OH 3.42Å; E9-Y26 PolarHBondContact OE1-OH 3.09Å; E9-Y26 PolarHBondContact OE2-OH 3.5Å; E9-F27 CarbonylContact C-O 3.54Å; E9-F27 WeakPolarHBondContact CA-O 3.34Å; E9-L28 HydrophobicContact CB-CD2 3.45Å; E9-L28 VanDerWaalsContact CB-CD2 3.45Å; E9-L28 HydrophobicContact CG-CD2 4.48Å; E9-L28 WeakPolarHBondContact OE2-CD2 3.26Å; E9-R41 IonicContact OE1-CZ 2.88Å; E9-R41 IonicContact OE1-NH2 2.86Å; E9-R41 PolarHBondContact OE1-NH2 3.38Å
10G92.9Very high77Confident14 Ų1476 Ų7614%0.14439%0.387CS..EExtended strand (participates in β ladder)trans155.3175.2174.900000114.4F27G10-F27 PolarHBondContact N-O 3.07Å; G10-F27 PolarHBondContact O-N 3.44Å
11W92.6Very high76.9Confident130 Ų13075.3 Ų75.349%0.49239%0.386SS..EExtended strand (participates in β ladder)trans-74.4135.5178.9-71.898.6000112P24 R25 Y26 K39W11-P24 HydrophobicContact CE3-CB 4.09Å; W11-P24 HydrophobicContact CZ3-CB 4.17Å; W11-R25 WeakPolarHBondContact CA-O 3.16Å; W11-Y26 AromaticContact CD1-CD2 3.78Å; W11-Y26 AromaticContact CD2-CD2 3.98Å; W11-Y26 HydrophobicContact CD2-CD2 3.98Å; W11-Y26 AromaticContact CE2-CD2 3.74Å; W11-Y26 HydrophobicContact CG-CD2 4.02Å; W11-Y26 HydrophobicContact CZ2-CD2 4.32Å; W11-Y26 AromaticContact NE1-CD2 3.6Å; W11-K39 VanDerWaalsContact CH2-O 3.3Å; W11-K39 WeakPolarHBondContact CH2-O 3.39Å
12L92.7Very high78.8Confident1 Ų167.1 Ų67.11%0.00534%0.343CS..EExtended strand (participates in β ladder)trans-131.3148.9168.1-63.8176000109.5R25 F27 F35 F74 F89 V91 W100L12-R25 PolarHBondContact N-O 3.28Å; L12-R25 PolarHBondContact O-N 2.79Å; L12-R25 VanDerWaalsContact O-O 3.12Å; L12-F27 HydrophobicContact CB-CD2 3.66Å; L12-F27 HydrophobicContact CB-CE2 4.02Å; L12-F27 HydrophobicContact CD1-CB 3.92Å; L12-F27 HydrophobicContact CD1-CD1 4.47Å; L12-F27 HydrophobicContact CD1-CD2 3.77Å; L12-F27 HydrophobicContact CD1-CE2 4.37Å; L12-F27 HydrophobicContact CD1-CG 3.81Å; L12-F27 HydrophobicContact CG-CB 4.37Å; L12-F27 HydrophobicContact CG-CD2 4.02Å; L12-F27 HydrophobicContact CG-CG 4.41Å; L12-F35 HydrophobicContact CD1-CE1 4.45Å; L12-F35 HydrophobicContact CD1-CE2 4.44Å; L12-F35 HydrophobicContact CD1-CZ 3.6Å; L12-F74 HydrophobicContact CD1-CZ 4.06Å; L12-F74 HydrophobicContact CD2-CE1 4.1Å; L12-F74 HydrophobicContact CD2-CZ 4Å; L12-F89 HydrophobicContact CB-CD1 4.36Å; L12-F89 HydrophobicContact CD1-CD1 4.08Å; L12-F89 HydrophobicContact CD1-CG 4.46Å; L12-V91 HydrophobicContact CD2-CG1 3.22Å; L12-W100 HydrophobicContact CD1-CD2 4.27Å; L12-W100 HydrophobicContact CD1-CE3 4.43Å; L12-W100 HydrophobicContact CD1-CZ2 4.35Å; L12-W100 HydrophobicContact CD2-CD2 4.07Å; L12-W100 HydrophobicContact CD2-CG 4.04Å; L12-W100 HydrophobicContact CD2-CZ2 4.32Å; L12-W100 HydrophobicContact CG-CZ2 4.16Å
13H91.1Very high80.3Confident50 Ų5065.8 Ų65.823%0.23131%0.314CS..EExtended strand (participates in β ladder)trans-89.1106.3165.3-67.488000109W22 R23 F89 H90H13-W22 HydrophobicContact CB-CE3 4.1Å; H13-W22 WeakPolarHBondContact O-CZ3 3.48Å; H13-R23 CarbonylContact C-O 3.37Å; H13-R23 WeakPolarHBondContact CA-O 3.5Å; H13-F89 CarbonylContact O-C 3.58Å; H13-F89 WeakPolarHBondContact O-CA 2.97Å; H13-H90 HydrophobicContact CB-CB 4.22Å; H13-H90 WeakPolarHBondContact CB-O 2.98Å; H13-H90 AromaticContact CG-CD2 3.69Å; H13-H90 PolarHBondContact N-O 3.18Å; H13-H90 AromaticContact ND1-CD2 3.65Å; H13-H90 PolarHBondContact O-N 3.45Å
14K88.4Confident81.3Confident14 Ų1460.4 Ų60.46%0.06130%0.295CS..EExtended strand (participates in β ladder)trans-82.4133171.9-171.8-165.4175.3-161.90108.8E17 R23 F27 N53 F89K14-E17 IonicContact NZ-OE1 3.32Å; K14-E17 PolarHBondContact NZ-OE1 2.97Å; K14-R23 PolarHBondContact N-O 3.32Å; K14-R23 PolarHBondContact O-N 3.18Å; K14-F27 HydrophobicContact CB-CE2 4.26Å; K14-F27 HydrophobicContact CB-CZ 4.3Å; K14-F27 HydrophobicContact CD-CZ 4.43Å; K14-N53 WeakPolarHBondContact CD-OD1 3.44Å; K14-N53 VanDerWaalsContact CE-OD1 3.29Å; K14-N53 WeakPolarHBondContact CE-OD1 3.18Å; K14-N53 PolarHBondContact NZ-OD1 3.27Å; K14-F89 HydrophobicContact CB-CD1 4.24Å; K14-F89 HydrophobicContact CB-CE1 4.12Å; K14-F89 HydrophobicContact CG-CD1 4.31Å; K14-F89 HydrophobicContact CG-CE1 3.85Å
15R83.1Confident81.8Confident68 Ų6857.9 Ų57.926%0.25728%0.277SS..EExtended strand (participates in β ladder)trans-76.2126.7166.3-163.6179.8-175.7-172.73.3109.1T21 W22 T88R15-T21 WeakPolarHBondContact CA-O 3.39Å; R15-W22 HydrophobicContact CB-CD2 4.29Å; R15-W22 HydrophobicContact CB-CE3 3.84Å; R15-W22 HydrophobicContact CB-CH2 4.2Å; R15-W22 HydrophobicContact CB-CZ3 3.77Å; R15-W22 HydrophobicContact CG-CD2 4.44Å; R15-W22 HydrophobicContact CG-CE3 4.47Å; R15-T88 HydrophobicContact CB-CG2 4.43Å; R15-T88 PolarHBondContact N-O 3.11Å
16G67.3Low81.8Confident9 Ų954.8 Ų54.89%0.09326%0.257CS..PPolyproline II helixtrans-57.4142.5171.900000110.7I19 T21G16-I19 CarbonylContact C-O 3.37Å; G16-I19 WeakPolarHBondContact CA-O 3.39Å; G16-T21 PolarHBondContact N-O 2.91Å
17E59.2Low81.8Confident58 Ų5852 Ų5227%0.27124%0.242SC..SBendtrans-75.8-35-171.5-70.9170.4-145.700110.5K14 R87 D317K14-E17 IonicContact NZ-OE1 3.32Å; K14-E17 PolarHBondContact NZ-OE1 2.97Å; E17-R87 IonicContact OE1-CZ 2.76Å; E17-R87 IonicContact OE1-NE 2.65Å; E17-R87 PolarHBondContact OE1-NE 2.85Å; E17-R87 IonicContact OE1-NH1 2.92Å; E17-R87 PolarHBondContact OE1-NH1 3.29Å; E17-R87 IonicContact OE1-NH2 3.97Å; E17-R87 PolarHBondContact OE1-NH2 3.36Å; E17-R87 VanDerWaalsContact OE1-NH2 3.09Å; E17-R87 IonicContact OE2-CZ 3.19Å; E17-R87 IonicContact OE2-NH1 3.15Å; E17-R87 PolarHBondContact OE2-NH1 3.27Å; E17-R87 IonicContact OE2-NH2 2.69Å; E17-R87 PolarHBondContact OE2-NH2 3.27Å; E17-D317 PolarHBondContact N-OD2 3.49Å
18Y52.6Low81.7Confident100 Ų10049.1 Ų49.139%0.39223%0.225SC..SBendtrans-111.8-46.5-174.7-51.7-83.5000112F303 D317Y18-F303 HydrophobicContact CD1-CB 3.68Å; Y18-F303 AromaticContact CD1-CD1 3.71Å; Y18-F303 HydrophobicContact CD1-CD1 3.71Å; Y18-F303 HydrophobicContact CD1-CE1 4.49Å; Y18-F303 AromaticContact CD1-CG 3.77Å; Y18-F303 HydrophobicContact CD1-CG 3.77Å; Y18-F303 HydrophobicContact CD2-CB 3.23Å; Y18-F303 HydrophobicContact CD2-CD1 4.48Å; Y18-F303 HydrophobicContact CD2-CD2 4.01Å; Y18-F303 AromaticContact CD2-CG 3.71Å; Y18-F303 HydrophobicContact CD2-CG 3.71Å; Y18-F303 HydrophobicContact CE1-CB 3.62Å; Y18-F303 HydrophobicContact CE1-CD1 4.2Å; Y18-F303 HydrophobicContact CE1-CG 4.19Å; Y18-F303 HydrophobicContact CE2-CB 3.17Å; Y18-F303 HydrophobicContact CE2-CG 4.14Å; Y18-F303 HydrophobicContact CG-CB 3.48Å; Y18-F303 VanDerWaalsContact CG-CB 3.48Å; Y18-F303 AromaticContact CG-CD1 3.85Å; Y18-F303 HydrophobicContact CG-CD1 3.85Å; Y18-F303 AromaticContact CG-CD2 3.88Å; Y18-F303 HydrophobicContact CG-CD2 3.88Å; Y18-F303 AromaticContact CG-CG 3.49Å; Y18-F303 HydrophobicContact CG-CG 3.49Å; Y18-F303 VanDerWaalsContact CG-CG 3.49Å; Y18-D317 WeakPolarHBondContact CD2-OD1 3.49Å; Y18-D317 WeakPolarHBondContact CE2-OD1 3.21Å
19I58.5Low81.6Confident30 Ų3047.1 Ų47.115%0.15422%0.216CC..SBendtrans-91.5107166.4-54.3-176.4000107.4G16 T21 L315 F352G16-I19 CarbonylContact C-O 3.37Å; G16-I19 WeakPolarHBondContact CA-O 3.39Å; I19-T21 HydrophobicContact CG2-CG2 3.78Å; I19-T21 PolarHBondContact O-N 3Å; I19-T21 PolarHBondContact O-OG1 3.31Å; I19-L315 HydrophobicContact CD1-CB 4.28Å; I19-L315 WeakPolarHBondContact CD1-O 3.41Å; I19-F352 HydrophobicContact CD1-CB 4.48Å; I19-F352 HydrophobicContact CD1-CD2 4.17Å; I19-F352 HydrophobicContact CD1-CG 4.48Å; I19-F352 HydrophobicContact CG1-CD2 4.29Å
20K70.6Confident81.3Confident154 Ų15445.7 Ų45.767%0.6721%0.208SC*.  trans-69.341.5-173.7-67.6177.9177.5174.40114.5
21T75.2Confident80.9Confident61 Ų6147.1 Ų47.137%0.37422%0.216SC..  trans-96150.7175.753.30000110.5R15 G16 I19 R23R15-T21 WeakPolarHBondContact CA-O 3.39Å; G16-T21 PolarHBondContact N-O 2.91Å; I19-T21 HydrophobicContact CG2-CG2 3.78Å; I19-T21 PolarHBondContact O-N 3Å; I19-T21 PolarHBondContact O-OG1 3.31Å; T21-R23 PolarHBondContact OG1-NE 2.61Å
22W81.5Confident80.3Confident67 Ų6744.1 Ų44.125%0.25421%0.21SC..EExtended strand (participates in β ladder)trans-91.4130.4175.3-65.698.7000109.8H13 R15 P69 K70 T73 T88 H90H13-W22 HydrophobicContact CB-CE3 4.1Å; H13-W22 WeakPolarHBondContact O-CZ3 3.48Å; R15-W22 HydrophobicContact CB-CD2 4.29Å; R15-W22 HydrophobicContact CB-CE3 3.84Å; R15-W22 HydrophobicContact CB-CH2 4.2Å; R15-W22 HydrophobicContact CB-CZ3 3.77Å; R15-W22 HydrophobicContact CG-CD2 4.44Å; R15-W22 HydrophobicContact CG-CE3 4.47Å; W22-P69 HydrophobicContact CZ2-CG 3.95Å; W22-K70 HydrophobicContact CZ2-CB 3.95Å; W22-T73 HydrophobicContact CH2-CG2 4.14Å; W22-T88 HydrophobicContact CH2-CG2 3.79Å; W22-T88 HydrophobicContact CZ3-CG2 4.29Å; W22-H90 HydrophobicContact CE3-CB 3.91Å; W22-H90 HydrophobicContact CH2-CB 3.65Å; W22-H90 HydrophobicContact CZ2-CB 4.37Å; W22-H90 HydrophobicContact CZ3-CB 3.41Å; W22-H90 VanDerWaalsContact CZ3-CB 3.41Å
23R82.7Confident79.7Confident45 Ų4544 Ų4417%0.1721%0.21CC..EExtended strand (participates in β ladder)trans-128.3126.4-176.8-59.7-179.4-179.5-145.1-6.8110H13 K14 T21 E316H13-R23 CarbonylContact C-O 3.37Å; H13-R23 WeakPolarHBondContact CA-O 3.5Å; K14-R23 PolarHBondContact N-O 3.32Å; K14-R23 PolarHBondContact O-N 3.18Å; T21-R23 PolarHBondContact OG1-NE 2.61Å; R23-E316 VanDerWaalsContact NH1-CA 3.31Å; R23-E316 PolarHBondContact NH1-O 2.91Å
24P88.9Confident79.2Confident65 Ų6542.7 Ų42.742%0.42221%0.205SC..EExtended strand (participates in β ladder)trans-68.8134.4175.229.3-33.8000109.7W11W11-P24 HydrophobicContact CE3-CB 4.09Å; W11-P24 HydrophobicContact CZ3-CB 4.17Å
25R86.9Confident78.9Confident26 Ų2642 Ų4210%0.09820%0.202CC..EExtended strand (participates in β ladder)trans-143.7143178.1-65.8-66.6-178.8-94.36.1109.3W11 L12 F27 Y38W11-R25 WeakPolarHBondContact CA-O 3.16Å; L12-R25 PolarHBondContact N-O 3.28Å; L12-R25 PolarHBondContact O-N 2.79Å; L12-R25 VanDerWaalsContact O-O 3.12Å; R25-F27 HydrophobicContact CB-CD2 3.94Å; R25-F27 HydrophobicContact CB-CE2 3.52Å; R25-F27 HydrophobicContact CB-CZ 4.38Å; R25-F27 HydrophobicContact CG-CE2 4.4Å; R25-Y38 CarbonylContact C-O 3.31Å; R25-Y38 WeakPolarHBondContact CA-O 3.22Å; R25-Y38 WeakPolarHBondContact CB-O 3.36Å; R25-Y38 VanDerWaalsContact CD-O 3.23Å; R25-Y38 WeakPolarHBondContact CD-O 3.36Å
26Y87.6Confident78.8Confident15 Ų1539.3 Ų39.36%0.05919%0.192CC..EExtended strand (participates in β ladder)trans-88.3112.3176.4-165.6-91.6000109.6E9 W11 L28 G37 Y38 R41E9-Y26 HydrophobicContact CB-CE1 4Å; E9-Y26 HydrophobicContact CG-CE1 4.48Å; E9-Y26 WeakPolarHBondContact CG-OH 3.42Å; E9-Y26 PolarHBondContact OE1-OH 3.09Å; E9-Y26 PolarHBondContact OE2-OH 3.5Å; W11-Y26 AromaticContact CD1-CD2 3.78Å; W11-Y26 AromaticContact CD2-CD2 3.98Å; W11-Y26 HydrophobicContact CD2-CD2 3.98Å; W11-Y26 AromaticContact CE2-CD2 3.74Å; W11-Y26 HydrophobicContact CG-CD2 4.02Å; W11-Y26 HydrophobicContact CZ2-CD2 4.32Å; W11-Y26 AromaticContact NE1-CD2 3.6Å; Y26-L28 HydrophobicContact CD1-CD2 4.1Å; Y26-L28 HydrophobicContact CE1-CD2 3.73Å; Y26-G37 CarbonylContact O-C 3.51Å; Y26-G37 VanDerWaalsContact O-CA 3.31Å; Y26-G37 WeakPolarHBondContact O-CA 3.39Å; Y26-Y38 PolarHBondContact N-O 2.88Å; Y26-Y38 PolarHBondContact O-N 3.17Å; Y26-R41 HydrophobicContact CD1-CB 4.27Å; Y26-R41 HydrophobicContact CD1-CG 4.04Å; Y26-R41 HydrophobicContact CD2-CB 4.1Å; Y26-R41 HydrophobicContact CD2-CG 4.31Å; Y26-R41 HydrophobicContact CE1-CB 4.42Å; Y26-R41 HydrophobicContact CE1-CG 3.74Å; Y26-R41 HydrophobicContact CE2-CB 4.27Å; Y26-R41 HydrophobicContact CE2-CG 4.04Å; Y26-R41 HydrophobicContact CG-CB 4.09Å; Y26-R41 HydrophobicContact CG-CG 4.3Å; Y26-R41 PolarHBondContact OH-NE 3.14Å; Y26-R41 VanDerWaalsContact OH-NE 3.15Å
27F89.3Confident79.5Confident0 Ų038.9 Ų38.90%019%0.188CC..EExtended strand (participates in β ladder)trans-98.7144.1-175.7-83.3-96.9000113.3E9 G10 L12 K14 R25 F35 I36 N53 F55 F89 W100E9-F27 CarbonylContact C-O 3.54Å; E9-F27 WeakPolarHBondContact CA-O 3.34Å; G10-F27 PolarHBondContact N-O 3.07Å; G10-F27 PolarHBondContact O-N 3.44Å; L12-F27 HydrophobicContact CB-CD2 3.66Å; L12-F27 HydrophobicContact CB-CE2 4.02Å; L12-F27 HydrophobicContact CD1-CB 3.92Å; L12-F27 HydrophobicContact CD1-CD1 4.47Å; L12-F27 HydrophobicContact CD1-CD2 3.77Å; L12-F27 HydrophobicContact CD1-CE2 4.37Å; L12-F27 HydrophobicContact CD1-CG 3.81Å; L12-F27 HydrophobicContact CG-CB 4.37Å; L12-F27 HydrophobicContact CG-CD2 4.02Å; L12-F27 HydrophobicContact CG-CG 4.41Å; K14-F27 HydrophobicContact CB-CE2 4.26Å; K14-F27 HydrophobicContact CB-CZ 4.3Å; K14-F27 HydrophobicContact CD-CZ 4.43Å; R25-F27 HydrophobicContact CB-CD2 3.94Å; R25-F27 HydrophobicContact CB-CE2 3.52Å; R25-F27 HydrophobicContact CB-CZ 4.38Å; R25-F27 HydrophobicContact CG-CE2 4.4Å; F27-F35 HydrophobicContact CB-CE2 3.71Å; F27-F35 HydrophobicContact CB-CZ 4.02Å; F27-F35 HydrophobicContact CD1-CD1 4.31Å; F27-F35 HydrophobicContact CD1-CD2 4.08Å; F27-F35 AromaticContact CD1-CE1 3.88Å; F27-F35 HydrophobicContact CD1-CE1 3.88Å; F27-F35 AromaticContact CD1-CE2 3.67Å; F27-F35 HydrophobicContact CD1-CE2 3.67Å; F27-F35 HydrophobicContact CD1-CG 4.37Å; F27-F35 AromaticContact CD1-CZ 3.55Å; F27-F35 HydrophobicContact CD1-CZ 3.55Å; F27-F35 HydrophobicContact CE1-CE1 4.19Å; F27-F35 HydrophobicContact CE1-CZ 4.28Å; F27-F35 HydrophobicContact CG-CE2 4.04Å; F27-F35 AromaticContact CG-CZ 3.95Å; F27-F35 HydrophobicContact CG-CZ 3.95Å; F27-I36 CarbonylContact C-O 3.58Å; F27-I36 WeakPolarHBondContact CA-O 3.47Å; F27-I36 VanDerWaalsContact CD1-C 3.45Å; F27-I36 WeakPolarHBondContact CD1-O 3.41Å; F27-N53 HydrophobicContact CE1-CB 3.93Å; F27-N53 HydrophobicContact CZ-CB 3.96Å; F27-F55 HydrophobicContact CE1-CE1 4.09Å; F27-F55 HydrophobicContact CE1-CZ 4.46Å; F27-F89 AromaticContact CE1-CE1 3.9Å; F27-F89 HydrophobicContact CE1-CE1 3.9Å; F27-F89 HydrophobicContact CE1-CZ 4.43Å; F27-F89 HydrophobicContact CE2-CD1 4.32Å; F27-F89 AromaticContact CE2-CE1 3.98Å; F27-F89 HydrophobicContact CE2-CE1 3.98Å; F27-F89 HydrophobicContact CZ-CD1 4.27Å; F27-F89 AromaticContact CZ-CE1 3.48Å; F27-F89 HydrophobicContact CZ-CE1 3.48Å; F27-F89 VanDerWaalsContact CZ-CE1 3.48Å; F27-F89 HydrophobicContact CZ-CZ 4.36Å; F27-W100 HydrophobicContact CB-CH2 4.14Å
28L88.3Confident80.3Confident5 Ų537.3 Ų37.33%0.02618%0.18CC..EExtended strand (participates in β ladder)trans-120.4121.7170.6-53.5-176.1000108.8I6 E9 Y26 F35 I36 Y38 P42I6-L28 HydrophobicContact CD1-CD1 4.39Å; I6-L28 HydrophobicContact CD1-CD2 4.45Å; E9-L28 HydrophobicContact CB-CD2 3.45Å; E9-L28 VanDerWaalsContact CB-CD2 3.45Å; E9-L28 HydrophobicContact CG-CD2 4.48Å; E9-L28 WeakPolarHBondContact OE2-CD2 3.26Å; Y26-L28 HydrophobicContact CD1-CD2 4.1Å; Y26-L28 HydrophobicContact CE1-CD2 3.73Å; L28-F35 WeakPolarHBondContact O-CA 3.45Å; L28-F35 WeakPolarHBondContact O-CD2 3.29Å; L28-I36 PolarHBondContact N-O 2.86Å; L28-I36 PolarHBondContact O-N 2.85Å; L28-Y38 HydrophobicContact CD1-CD2 4.44Å; L28-Y38 HydrophobicContact CD1-CE2 3.55Å; L28-Y38 HydrophobicContact CG-CD2 4.36Å; L28-Y38 HydrophobicContact CG-CE2 3.83Å; L28-P42 HydrophobicContact CD1-CG 4.25Å
29L90.8Very high81.4Confident0 Ų038.6 Ų38.60%019%0.187CC..EExtended strand (participates in β ladder)trans-100.9123.5167.8177.166.8000108.5I6 V7 K8 F35 V57 W100 A103 I104 V107I6-L29 CarbonylContact C-O 3.54Å; V7-L29 HydrophobicContact CB-CD2 4.41Å; V7-L29 HydrophobicContact CB-CG 4.34Å; V7-L29 HydrophobicContact CG1-CD2 4.33Å; V7-L29 PolarHBondContact N-O 3.26Å; K8-L29 HydrophobicContact CB-CB 4.34Å; K8-L29 HydrophobicContact CB-CD2 4.46Å; K8-L29 PolarHBondContact N-O 3.47Å; K8-L29 PolarHBondContact O-N 3.12Å; L29-F35 HydrophobicContact CB-CD2 3.75Å; L29-F35 HydrophobicContact CB-CE2 4.12Å; L29-F35 HydrophobicContact CD1-CB 4.07Å; L29-F35 HydrophobicContact CD1-CD2 3.99Å; L29-F35 HydrophobicContact CD1-CG 4.22Å; L29-F35 HydrophobicContact CG-CD2 4.47Å; L29-V57 HydrophobicContact CD1-CG2 3.93Å; L29-W100 HydrophobicContact CB-CZ3 4.31Å; L29-A103 HydrophobicContact CD2-CB 3.95Å; L29-I104 HydrophobicContact CD1-CG1 4.46Å; L29-I104 HydrophobicContact CD2-CG1 3.92Å; L29-V107 HydrophobicContact CD1-CG2 4.46Å; L29-V107 HydrophobicContact CD2-CG2 4.01Å; L29-V107 HydrophobicContact CG-CG2 4.2Å
30K86.7Confident82.2Confident47 Ų4743.1 Ų43.120%0.20421%0.208CC..EExtended strand (participates in β ladder)trans-108.2160179.7-62.5-175.7178.1-172.60111.6V4 V5 I6 D32 G33 T34V4-K30 HydrophobicContact CG1-CB 3.95Å; V4-K30 HydrophobicContact CG1-CD 4.03Å; V4-K30 HydrophobicContact CG1-CG 4.48Å; V5-K30 CarbonylContact O-C 3.53Å; V5-K30 VanDerWaalsContact O-CA 3.3Å; V5-K30 WeakPolarHBondContact O-CA 3.5Å; I6-K30 HydrophobicContact CG1-CG 4.46Å; K30-D32 WeakPolarHBondContact CB-OD1 3.43Å; K30-D32 PolarHBondContact O-N 3.04Å; K30-G33 PolarHBondContact O-N 2.99Å; K30-G33 VanDerWaalsContact O-N 3.12Å; K30-T34 HydrophobicContact CD-CG2 4.29Å; K30-T34 PolarHBondContact N-O 3.45Å
31S84.9Confident82.7Confident44 Ų4442.6 Ų42.631%0.30820%0.202SC..THydrogen-bonded Turntrans-67.9-16.2-176.360.70000114.4V5 G33V5-S31 PolarHBondContact N-OG 2.63Å; V5-S31 PolarHBondContact O-N 3.13Å; S31-G33 VanDerWaalsContact C-N 3.27Å
32D79.9Confident82.7Confident67 Ų6740.8 Ų40.836%0.35819%0.191SC..THydrogen-bonded Turntrans-87.16.5174.767-12.4000113V4 K30 T34V4-D32 HydrophobicContact CG1-CB 4.02Å; V4-D32 HydrophobicContact CG2-CB 4.1Å; K30-D32 WeakPolarHBondContact CB-OD1 3.43Å; K30-D32 PolarHBondContact O-N 3.04Å; D32-T34 VanDerWaalsContact C-N 3.3Å; D32-T34 WeakPolarHBondContact OD1-CB 3.29Å; D32-T34 PolarHBondContact OD1-N 2.94Å; D32-T34 PolarHBondContact OD1-OG1 3.08Å; D32-T34 PolarHBondContact OD2-OG1 3.3Å
33G79.6Confident81.8Confident0 Ų046.6 Ų46.60%022%0.221CC..SBendtrans87.1-5.6-176.200000114.1K30 S31 F35 S56 V57K30-G33 PolarHBondContact O-N 2.99Å; K30-G33 VanDerWaalsContact O-N 3.12Å; S31-G33 VanDerWaalsContact C-N 3.27Å; G33-F35 PolarHBondContact O-N 2.97Å; G33-S56 CarbonylContact O-C 3.5Å; G33-S56 WeakPolarHBondContact O-CA 3.35Å; G33-V57 PolarHBondContact O-N 3.22Å
34T81.5Confident80.7Confident21 Ų2148.5 Ų48.513%0.12924%0.235CC..EExtended strand (participates in β ladder)trans-64.6121178.4-62.70000110.1K30 D32 I36K30-T34 HydrophobicContact CD-CG2 4.29Å; K30-T34 PolarHBondContact N-O 3.45Å; D32-T34 VanDerWaalsContact C-N 3.3Å; D32-T34 WeakPolarHBondContact OD1-CB 3.29Å; D32-T34 PolarHBondContact OD1-N 2.94Å; D32-T34 PolarHBondContact OD1-OG1 3.08Å; D32-T34 PolarHBondContact OD2-OG1 3.3Å; T34-I36 HydrophobicContact CG2-CD1 3.18Å; T34-I36 HydrophobicContact CG2-CG1 3.47Å; T34-I36 VanDerWaalsContact CG2-CG1 3.47Å
35F82.8Confident79Confident0 Ų051.1 Ų51.10%024%0.244CC..EExtended strand (participates in β ladder)trans-123.1105.4176.2-170.3-137.9000110.5L12 F27 L28 L29 G33 F55 V57 I76 F89 W100 I104L12-F35 HydrophobicContact CD1-CE1 4.45Å; L12-F35 HydrophobicContact CD1-CE2 4.44Å; L12-F35 HydrophobicContact CD1-CZ 3.6Å; F27-F35 HydrophobicContact CB-CE2 3.71Å; F27-F35 HydrophobicContact CB-CZ 4.02Å; F27-F35 HydrophobicContact CD1-CD1 4.31Å; F27-F35 HydrophobicContact CD1-CD2 4.08Å; F27-F35 AromaticContact CD1-CE1 3.88Å; F27-F35 HydrophobicContact CD1-CE1 3.88Å; F27-F35 AromaticContact CD1-CE2 3.67Å; F27-F35 HydrophobicContact CD1-CE2 3.67Å; F27-F35 HydrophobicContact CD1-CG 4.37Å; F27-F35 AromaticContact CD1-CZ 3.55Å; F27-F35 HydrophobicContact CD1-CZ 3.55Å; F27-F35 HydrophobicContact CE1-CE1 4.19Å; F27-F35 HydrophobicContact CE1-CZ 4.28Å; F27-F35 HydrophobicContact CG-CE2 4.04Å; F27-F35 AromaticContact CG-CZ 3.95Å; F27-F35 HydrophobicContact CG-CZ 3.95Å; L28-F35 WeakPolarHBondContact O-CA 3.45Å; L28-F35 WeakPolarHBondContact O-CD2 3.29Å; L29-F35 HydrophobicContact CB-CD2 3.75Å; L29-F35 HydrophobicContact CB-CE2 4.12Å; L29-F35 HydrophobicContact CD1-CB 4.07Å; L29-F35 HydrophobicContact CD1-CD2 3.99Å; L29-F35 HydrophobicContact CD1-CG 4.22Å; L29-F35 HydrophobicContact CG-CD2 4.47Å; G33-F35 PolarHBondContact O-N 2.97Å; F35-F55 CarbonylContact C-O 3.52Å; F35-F55 WeakPolarHBondContact CA-O 3.37Å; F35-F55 HydrophobicContact CB-CE2 4.28Å; F35-F55 HydrophobicContact CB-CZ 4.45Å; F35-F55 HydrophobicContact CD1-CD2 4.49Å; F35-F55 HydrophobicContact CD1-CE1 4.14Å; F35-F55 AromaticContact CD1-CE2 3.45Å; F35-F55 HydrophobicContact CD1-CE2 3.45Å; F35-F55 VanDerWaalsContact CD1-CE2 3.45Å; F35-F55 AromaticContact CD1-CZ 3.2Å; F35-F55 HydrophobicContact CD1-CZ 3.2Å; F35-F55 HydrophobicContact CE1-CE2 4.25Å; F35-F55 AromaticContact CE1-CZ 3.71Å; F35-F55 HydrophobicContact CE1-CZ 3.71Å; F35-F55 HydrophobicContact CG-CE2 4.33Å; F35-F55 HydrophobicContact CG-CZ 4.16Å; F35-F55 PolarHBondContact N-O 3.33Å; F35-F55 PolarHBondContact O-N 3.26Å; F35-F55 VanDerWaalsContact O-N 3.17Å; F35-V57 HydrophobicContact CB-CG2 3.85Å; F35-V57 HydrophobicContact CG-CG2 4.45Å; F35-I76 HydrophobicContact CD1-CD1 3.73Å; F35-I76 HydrophobicContact CE1-CD1 3.57Å; F35-F89 HydrophobicContact CE1-CE1 4.45Å; F35-F89 HydrophobicContact CE1-CE2 4.31Å; F35-F89 HydrophobicContact CE1-CZ 4.11Å; F35-W100 HydrophobicContact CE2-CE3 4.2Å; F35-W100 HydrophobicContact CE2-CH2 4.28Å; F35-W100 AromaticContact CE2-CZ3 3.6Å; F35-W100 HydrophobicContact CE2-CZ3 3.6Å; F35-W100 HydrophobicContact CZ-CE3 4.31Å; F35-W100 HydrophobicContact CZ-CZ3 4.1Å; F35-I104 HydrophobicContact CE1-CD1 4.31Å; F35-I104 HydrophobicContact CZ-CD1 4.34Å
36I80.6Confident77.1Confident11 Ų1157.1 Ų57.16%0.05628%0.278CS..EExtended strand (participates in β ladder)trans-118.5142.8-166.2-77.1170.1000110.1F27 L28 T34 Y38 P51 N53 N54F27-I36 CarbonylContact C-O 3.58Å; F27-I36 WeakPolarHBondContact CA-O 3.47Å; F27-I36 VanDerWaalsContact CD1-C 3.45Å; F27-I36 WeakPolarHBondContact CD1-O 3.41Å; L28-I36 PolarHBondContact N-O 2.86Å; L28-I36 PolarHBondContact O-N 2.85Å; T34-I36 HydrophobicContact CG2-CD1 3.18Å; T34-I36 HydrophobicContact CG2-CG1 3.47Å; T34-I36 VanDerWaalsContact CG2-CG1 3.47Å; I36-Y38 HydrophobicContact CB-CE2 4.42Å; I36-Y38 HydrophobicContact CG2-CD2 3.96Å; I36-Y38 HydrophobicContact CG2-CE1 4.17Å; I36-Y38 HydrophobicContact CG2-CE2 3.27Å; I36-Y38 WeakPolarHBondContact CG2-OH 3.41Å; I36-P51 HydrophobicContact CB-CB 4.42Å; I36-P51 HydrophobicContact CD1-CB 4.42Å; I36-P51 HydrophobicContact CG1-CB 4.37Å; I36-P51 HydrophobicContact CG2-CB 3.26Å; I36-P51 HydrophobicContact CG2-CG 4.41Å; I36-N53 CarbonylContact C-O 3.47Å; I36-N53 WeakPolarHBondContact CA-O 3.15Å; I36-N53 WeakPolarHBondContact CG2-O 3.38Å; I36-N54 HydrophobicContact CG1-CB 4.06Å; I36-N54 WeakPolarHBondContact CG1-OD1 3.3Å
37G80.6Confident75.1Confident0 Ų062.9 Ų62.90%031%0.305CS..EExtended strand (participates in β ladder)trans-129.2133.2175.200000113.5Y26 L52 N53Y26-G37 CarbonylContact O-C 3.51Å; Y26-G37 VanDerWaalsContact O-CA 3.31Å; Y26-G37 WeakPolarHBondContact O-CA 3.39Å; G37-L52 CarbonylContact O-C 3.57Å; G37-L52 WeakPolarHBondContact O-CA 3.37Å; G37-L52 WeakPolarHBondContact O-CB 3.34Å; G37-L52 PolarHBondContact O-N 2.66Å; G37-L52 VanDerWaalsContact O-N 3.11Å; G37-N53 PolarHBondContact N-O 3.35Å; G37-N53 PolarHBondContact O-N 2.72Å
38Y77.3Confident73.1Confident25 Ų2571 Ų7110%0.09835%0.348CS..EExtended strand (participates in β ladder)trans-110.2162.3-178.3-59.8-89.3000111.8R25 Y26 L28 I36 E40 P42 E49 P51R25-Y38 CarbonylContact C-O 3.31Å; R25-Y38 WeakPolarHBondContact CA-O 3.22Å; R25-Y38 WeakPolarHBondContact CB-O 3.36Å; R25-Y38 VanDerWaalsContact CD-O 3.23Å; R25-Y38 WeakPolarHBondContact CD-O 3.36Å; Y26-Y38 PolarHBondContact N-O 2.88Å; Y26-Y38 PolarHBondContact O-N 3.17Å; L28-Y38 HydrophobicContact CD1-CD2 4.44Å; L28-Y38 HydrophobicContact CD1-CE2 3.55Å; L28-Y38 HydrophobicContact CG-CD2 4.36Å; L28-Y38 HydrophobicContact CG-CE2 3.83Å; I36-Y38 HydrophobicContact CB-CE2 4.42Å; I36-Y38 HydrophobicContact CG2-CD2 3.96Å; I36-Y38 HydrophobicContact CG2-CE1 4.17Å; I36-Y38 HydrophobicContact CG2-CE2 3.27Å; I36-Y38 WeakPolarHBondContact CG2-OH 3.41Å; Y38-E40 WeakPolarHBondContact CB-O 3.2Å; Y38-P42 HydrophobicContact CD2-CG 3.97Å; Y38-P42 HydrophobicContact CE2-CG 3.96Å; Y38-P42 HydrophobicContact CG-CG 4.37Å; Y38-E49 HydrophobicContact CD1-CB 4.37Å; Y38-E49 WeakPolarHBondContact CE1-O 3.39Å; Y38-P51 HydrophobicContact CD1-CB 4.31Å; Y38-P51 HydrophobicContact CE1-CB 3.65Å
39K75.5Confident71Confident128 Ų12875.2 Ų75.256%0.55737%0.367SS*.SBendtrans-69.1-41.1173.6-162.6173173.5176.70111.2W11 L52W11-K39 VanDerWaalsContact CH2-O 3.3Å; W11-K39 WeakPolarHBondContact CH2-O 3.39Å; K39-L52 HydrophobicContact CB-CD1 3.62Å; K39-L52 HydrophobicContact CG-CD1 4.31Å
40E75.3Confident69Low124 Ų12478.3 Ų78.358%0.57939%0.386SS*.SBendtrans-127.2168.4-179.6-62.7-174.6-172.200109Y38 P42Y38-E40 WeakPolarHBondContact CB-O 3.2Å; E40-P42 WeakPolarHBondContact O-CD 3.13Å
41R80.9Confident67Low144 Ų14477.5 Ų77.554%0.54339%0.386SS..  trans-71.7122.5176.9-178177.6-167.8-170.74.9108.7E9 Y26 Q43E9-R41 IonicContact OE1-CZ 2.88Å; E9-R41 IonicContact OE1-NH2 2.86Å; E9-R41 PolarHBondContact OE1-NH2 3.38Å; Y26-R41 HydrophobicContact CD1-CB 4.27Å; Y26-R41 HydrophobicContact CD1-CG 4.04Å; Y26-R41 HydrophobicContact CD2-CB 4.1Å; Y26-R41 HydrophobicContact CD2-CG 4.31Å; Y26-R41 HydrophobicContact CE1-CB 4.42Å; Y26-R41 HydrophobicContact CE1-CG 3.74Å; Y26-R41 HydrophobicContact CE2-CB 4.27Å; Y26-R41 HydrophobicContact CE2-CG 4.04Å; Y26-R41 HydrophobicContact CG-CB 4.09Å; Y26-R41 HydrophobicContact CG-CG 4.3Å; Y26-R41 PolarHBondContact OH-NE 3.14Å; Y26-R41 VanDerWaalsContact OH-NE 3.15Å; R41-Q43 PolarHBondContact O-N 3.33Å
42P74.3Confident65.1Low23 Ų2376.3 Ų76.315%0.14938%0.376CS..  trans-64.4135.7179.525.8-32.8000110.4L28 Y38 E40L28-P42 HydrophobicContact CD1-CG 4.25Å; Y38-P42 HydrophobicContact CD2-CG 3.97Å; Y38-P42 HydrophobicContact CE2-CG 3.96Å; Y38-P42 HydrophobicContact CG-CG 4.37Å; E40-P42 WeakPolarHBondContact O-CD 3.13Å
43Q64Low63.6Low188 Ų18873.5 Ų73.588%0.87936%0.361SS*.SBendtrans-83.8-21.7-176.3-64.8-174.97.600113.3R41R41-Q43 PolarHBondContact O-N 3.33Å
44D59.1Low62.6Low86 Ų8677.6 Ų77.646%0.4638%0.383SS..  trans-143.2135.2176.5-106.9-28.9000109.5D46 Q47D44-D46 PolarHBondContact O-N 3.06Å; D44-Q47 HydrophobicContact CB-CB 3.68Å; D44-Q47 HydrophobicContact CB-CG 3.69Å; D44-Q47 PolarHBondContact O-N 3.19Å; D44-Q47 PolarHBondContact OD2-NE2 3.18Å
45I53.4Low62Low119 Ų11977.6 Ų77.661%0.6138%0.381SS*.SBendtrans-68.4-23.5-179.9-66.1169.1000111.6I6I6-I45 HydrophobicContact CD1-CD1 3.7Å; I6-I45 HydrophobicContact CD1-CG1 4.29Å
46D47.1Very low61.3Low153 Ų15380.5 Ų80.582%0.81840%0.401SS*.SBendtrans-105.1-5.8-179-68.1-34.1000114D44D44-D46 PolarHBondContact O-N 3.06Å
47Q44.8Very low61.1Low135 Ų13580 Ų8063%0.63140%0.399SS*.SBendtrans-92.3113170.2-68.9-171.930.400109.3D44 E49D44-Q47 HydrophobicContact CB-CB 3.68Å; D44-Q47 HydrophobicContact CB-CG 3.69Å; D44-Q47 PolarHBondContact O-N 3.19Å; D44-Q47 PolarHBondContact OD2-NE2 3.18Å; Q47-E49 VanDerWaalsContact C-N 3.31Å; Q47-E49 PolarHBondContact O-N 3.5Å
48L47.6Very low60.5Low172 Ų17281.1 Ų81.190%0.90141%0.408SS*.  trans-57.978-178.9-72.6137.2000113.1
49E45Very low60.1Low92 Ų9281 Ų8143%0.4341%0.41SS..  trans-74.5122.5143.9-76.7-165.9162.300107.5Y38 Q47 P51Y38-E49 HydrophobicContact CD1-CB 4.37Å; Y38-E49 WeakPolarHBondContact CE1-O 3.39Å; Q47-E49 VanDerWaalsContact C-N 3.31Å; Q47-E49 PolarHBondContact O-N 3.5Å; E49-P51 VanDerWaalsContact O-CD 3.31Å; E49-P51 WeakPolarHBondContact O-CD 3.29Å
50T47.5Very low59.9Low66 Ų6682 Ų8241%0.40542%0.417SS..  trans-61120178.621.40000109.9L52 T299T50-L52 PolarHBondContact O-N 3.28Å; T50-L52 VanDerWaalsContact O-N 3.13Å; T50-T299 HydrophobicContact CG2-CG2 4Å
51P45Very low60Low29 Ų2976.5 Ų76.519%0.18839%0.392CS..  trans-68.7106.5-176.624.5-33000112.3I36 Y38 E49 N53 K301I36-P51 HydrophobicContact CB-CB 4.42Å; I36-P51 HydrophobicContact CD1-CB 4.42Å; I36-P51 HydrophobicContact CG1-CB 4.37Å; I36-P51 HydrophobicContact CG2-CB 3.26Å; I36-P51 HydrophobicContact CG2-CG 4.41Å; Y38-P51 HydrophobicContact CD1-CB 4.31Å; Y38-P51 HydrophobicContact CE1-CB 3.65Å; E49-P51 VanDerWaalsContact O-CD 3.31Å; E49-P51 WeakPolarHBondContact O-CD 3.29Å; P51-N53 PolarHBondContact O-N 3.09Å; P51-N53 VanDerWaalsContact O-N 3.1Å; P51-K301 PolarHBondContact O-NZ 3.18Å
52L46.3Very low60.1Low20 Ų2074.8 Ų74.811%0.10539%0.39CS..SBendtrans-54.7-33.9-177.6-68.6-174.7000114.2G37 K39 T50 K301 N318 D319G37-L52 CarbonylContact O-C 3.57Å; G37-L52 WeakPolarHBondContact O-CA 3.37Å; G37-L52 WeakPolarHBondContact O-CB 3.34Å; G37-L52 PolarHBondContact O-N 2.66Å; G37-L52 VanDerWaalsContact O-N 3.11Å; K39-L52 HydrophobicContact CB-CD1 3.62Å; K39-L52 HydrophobicContact CG-CD1 4.31Å; T50-L52 PolarHBondContact O-N 3.28Å; T50-L52 VanDerWaalsContact O-N 3.13Å; L52-K301 WeakPolarHBondContact O-CE 3.44Å; L52-K301 PolarHBondContact O-NZ 3.41Å; L52-N318 HydrophobicContact CD2-CB 4.19Å; L52-D319 WeakPolarHBondContact CA-OD2 3.41Å; L52-D319 HydrophobicContact CD2-CB 4.07Å; L52-D319 PolarHBondContact N-OD2 3.2Å
53N48.3Very low60.7Low7 Ų775.6 Ų75.64%0.03739%0.393CS..EExtended strand (participates in β ladder)trans-120.8129.6173.6-58.2-76.2000107.8K14 F27 I36 G37 P51 K301K14-N53 WeakPolarHBondContact CD-OD1 3.44Å; K14-N53 VanDerWaalsContact CE-OD1 3.29Å; K14-N53 WeakPolarHBondContact CE-OD1 3.18Å; K14-N53 PolarHBondContact NZ-OD1 3.27Å; F27-N53 HydrophobicContact CE1-CB 3.93Å; F27-N53 HydrophobicContact CZ-CB 3.96Å; I36-N53 CarbonylContact C-O 3.47Å; I36-N53 WeakPolarHBondContact CA-O 3.15Å; I36-N53 WeakPolarHBondContact CG2-O 3.38Å; G37-N53 PolarHBondContact N-O 3.35Å; G37-N53 PolarHBondContact O-N 2.72Å; P51-N53 PolarHBondContact O-N 3.09Å; P51-N53 VanDerWaalsContact O-N 3.1Å; N53-K301 VanDerWaalsContact CA-NZ 3.35Å
54N58.4Low62Low86 Ų8670.2 Ų70.246%0.4637%0.369SS..EExtended strand (participates in β ladder)trans-148.6107.7178.9-1766.5000106.8I36I36-N54 HydrophobicContact CG1-CB 4.06Å; I36-N54 WeakPolarHBondContact CG1-OD1 3.3Å
55F68.2Low63.6Low22 Ų2270.8 Ų70.810%0.09637%0.367CS..EExtended strand (participates in β ladder)trans-147.6150.1173.757.8-84.3000108.5F27 F35 I76 R87 F89F27-F55 HydrophobicContact CE1-CE1 4.09Å; F27-F55 HydrophobicContact CE1-CZ 4.46Å; F35-F55 CarbonylContact C-O 3.52Å; F35-F55 WeakPolarHBondContact CA-O 3.37Å; F35-F55 HydrophobicContact CB-CE2 4.28Å; F35-F55 HydrophobicContact CB-CZ 4.45Å; F35-F55 HydrophobicContact CD1-CD2 4.49Å; F35-F55 HydrophobicContact CD1-CE1 4.14Å; F35-F55 AromaticContact CD1-CE2 3.45Å; F35-F55 HydrophobicContact CD1-CE2 3.45Å; F35-F55 VanDerWaalsContact CD1-CE2 3.45Å; F35-F55 AromaticContact CD1-CZ 3.2Å; F35-F55 HydrophobicContact CD1-CZ 3.2Å; F35-F55 HydrophobicContact CE1-CE2 4.25Å; F35-F55 AromaticContact CE1-CZ 3.71Å; F35-F55 HydrophobicContact CE1-CZ 3.71Å; F35-F55 HydrophobicContact CG-CE2 4.33Å; F35-F55 HydrophobicContact CG-CZ 4.16Å; F35-F55 PolarHBondContact N-O 3.33Å; F35-F55 PolarHBondContact O-N 3.26Å; F35-F55 VanDerWaalsContact O-N 3.17Å; F55-I76 HydrophobicContact CE2-CD1 3.95Å; F55-I76 HydrophobicContact CZ-CD1 4.26Å; F55-R87 HydrophobicContact CD2-CG 4.4Å; F55-R87 HydrophobicContact CE1-CG 4.32Å; F55-R87 HydrophobicContact CE2-CB 4.46Å; F55-R87 HydrophobicContact CE2-CG 4.17Å; F55-R87 HydrophobicContact CZ-CB 4.27Å; F55-R87 HydrophobicContact CZ-CG 4.16Å; F55-F89 AromaticContact CE1-CZ 4Å; F55-F89 HydrophobicContact CE1-CZ 4Å; F55-F89 HydrophobicContact CE2-CZ 4.47Å; F55-F89 HydrophobicContact CZ-CE1 4.44Å; F55-F89 HydrophobicContact CZ-CE2 4.05Å; F55-F89 AromaticContact CZ-CZ 3.46Å; F55-F89 HydrophobicContact CZ-CZ 3.46Å; F55-F89 VanDerWaalsContact CZ-CZ 3.46Å
56S68.8Low65.3Low60 Ų6067 Ų6742%0.4235%0.35SS..EExtended strand (participates in β ladder)trans-90.2135.1177.5-55.40000110G33 A58G33-S56 CarbonylContact O-C 3.5Å; G33-S56 WeakPolarHBondContact O-CA 3.35Å; S56-A58 PolarHBondContact O-N 3.13Å
57V74.9Confident67.4Low2 Ų264.3 Ų64.31%0.01233%0.332CS..  trans-66.8107.9160.5-179.30000106L29 G33 F35 C61 I104 A108L29-V57 HydrophobicContact CD1-CG2 3.93Å; G33-V57 PolarHBondContact O-N 3.22Å; F35-V57 HydrophobicContact CB-CG2 3.85Å; F35-V57 HydrophobicContact CG-CG2 4.45Å; V57-C61 HydrophobicContact CG1-CB 4.43Å; V57-C61 WeakPolarHBondContact CG1-SG 3.45Å; V57-I104 HydrophobicContact CB-CG2 4.49Å; V57-I104 HydrophobicContact CG1-CG2 3.7Å; V57-I104 HydrophobicContact CG2-CG2 3.89Å; V57-A108 HydrophobicContact CG1-CB 3.8Å
58A69.6Low69Low22 Ų2267.9 Ų67.918%0.18234%0.34CS..  trans-75.9153.3178.700000110.3S56 E60 C61 C78S56-A58 PolarHBondContact O-N 3.13Å; A58-E60 PolarHBondContact O-N 2.82Å; A58-E60 VanDerWaalsContact O-N 3.15Å; A58-C61 WeakPolarHBondContact O-CB 3.42Å; A58-C61 PolarHBondContact O-N 2.76Å; A58-C61 PolarHBondContact O-SG 2.98Å; A58-C61 VanDerWaalsContact O-SG 3.37Å; A58-C78 HydrophobicContact CB-CB 4.43Å
59P68.4Low70.5Confident24 Ų2463.4 Ų63.416%0.15632%0.321CS..THydrogen-bonded Turntrans-49.5-37.8172.4-28.235.1000113L111 Q112 E115P59-L111 HydrophobicContact CG-CB 4.07Å; P59-Q112 HydrophobicContact CB-CB 3.98Å; P59-Q112 HydrophobicContact CB-CG 4.46Å; P59-E115 WeakPolarHBondContact CG-OE2 3.33Å
60E70Confident72.5Confident148 Ų14862.6 Ų62.669%0.69232%0.316SS*.THydrogen-bonded Turntrans-97.621.7-179.7-56-172.1-170.300114.2A58 Q62A58-E60 PolarHBondContact O-N 2.82Å; A58-E60 VanDerWaalsContact O-N 3.15Å; E60-Q62 PolarHBondContact O-N 2.89Å
61C78.7Confident74.6Confident9 Ų963 Ų636%0.06132%0.32CS..PPolyproline II helixtrans-66.5137.5178.776.40000111.8V57 A58 I76 R77 C78V57-C61 HydrophobicContact CG1-CB 4.43Å; V57-C61 WeakPolarHBondContact CG1-SG 3.45Å; A58-C61 WeakPolarHBondContact O-CB 3.42Å; A58-C61 PolarHBondContact O-N 2.76Å; A58-C61 PolarHBondContact O-SG 2.98Å; A58-C61 VanDerWaalsContact O-SG 3.37Å; C61-I76 HydrophobicContact CB-CG2 4.38Å; C61-R77 CarbonylContact C-O 3.59Å; C61-R77 WeakPolarHBondContact CA-O 3.41Å; C61-C78 WeakPolarHBondContact CB-SG 3.43Å
62Q81.9Confident76.9Confident108 Ų10862.6 Ų62.651%0.50532%0.316SS..EExtended strand (participates in β ladder)trans-99.1121.4174.1-66.9179.41.900109.8E60 R77E60-Q62 PolarHBondContact O-N 2.89Å; Q62-R77 HydrophobicContact CB-CB 4.2Å; Q62-R77 PolarHBondContact N-O 2.95Å; Q62-R77 PolarHBondContact O-N 3.11Å
63L88.3Confident79.1Confident40 Ų4061.7 Ų61.721%0.20931%0.311CS..EExtended strand (participates in β ladder)trans-93.3125.9171-76.8169.2000110.8I75 I76 T101 I104 Q105L63-I75 WeakPolarHBondContact CA-O 3.46Å; L63-I76 HydrophobicContact CD2-CB 4.42Å; L63-I76 HydrophobicContact CD2-CG1 3.73Å; L63-T101 WeakPolarHBondContact CD1-O 3.46Å; L63-T101 HydrophobicContact CD2-CG2 4.38Å; L63-I104 HydrophobicContact CD1-CB 4.04Å; L63-I104 HydrophobicContact CD1-CG2 3.91Å; L63-I104 HydrophobicContact CD2-CG2 4.07Å; L63-I104 HydrophobicContact CG-CG2 4.31Å; L63-Q105 HydrophobicContact CD1-CB 3.98Å
64M89.8Confident81.3Confident75 Ų7561.3 Ų61.337%0.36931%0.309SS..EExtended strand (participates in β ladder)trans-120.2133.9176.1-56.1176.568.500110.2F74 I75 R77M64-F74 CarbonylContact O-C 3.29Å; M64-F74 VanDerWaalsContact O-CA 3.23Å; M64-F74 WeakPolarHBondContact O-CA 3.43Å; M64-I75 HydrophobicContact CB-CB 4.3Å; M64-I75 PolarHBondContact N-O 2.92Å; M64-I75 PolarHBondContact O-N 2.73Å; M64-R77 PolarHBondContact SD-NH2 2.79Å
65K93.3Very high82.8Confident97 Ų9758.4 Ų58.442%0.42229%0.294SS..EExtended strand (participates in β ladder)trans-102.1134.9173.6-62.6172.2-174173.10108.8E98 T101K65-E98 IonicContact NZ-OE1 2.71Å; K65-E98 PolarHBondContact NZ-OE1 3.26Å; K65-E98 IonicContact NZ-OE2 2.86Å; K65-E98 PolarHBondContact NZ-OE2 3.33Å; K65-T101 WeakPolarHBondContact CE-OG1 3.4Å; K65-T101 HydrophobicContact CG-CG2 4.46Å
66T90.6Very high83.8Confident41 Ų4157.4 Ų57.425%0.25229%0.289SS..EExtended strand (participates in β ladder)trans-145.3151.1-179.5175.60000110.9R68 T73 I75 R97T66-R68 VanDerWaalsContact CG2-O 3.23Å; T66-R68 WeakPolarHBondContact CG2-O 3.33Å; T66-R68 PolarHBondContact OG1-N 3.3Å; T66-R68 VanDerWaalsContact OG1-N 3.08Å; T66-R68 PolarHBondContact OG1-O 2.82Å; T66-R68 VanDerWaalsContact OG1-O 3.04Å; T66-T73 HydrophobicContact CG2-CG2 3.51Å; T66-T73 PolarHBondContact N-O 2.74Å; T66-T73 CarbonylContact O-C 3.53Å; T66-T73 WeakPolarHBondContact O-CA 3.4Å; T66-T73 VanDerWaalsContact O-CB 3.31Å; T66-T73 WeakPolarHBondContact O-CB 3.43Å; T66-T73 PolarHBondContact O-N 3.23Å; T66-I75 HydrophobicContact CG2-CD1 4.04Å; T66-I75 HydrophobicContact CG2-CG1 4.31Å; T66-R97 PolarHBondContact O-NH1 2.92Å
67E90.9Very high84.3Confident96 Ų9657.9 Ų57.945%0.44928%0.282SS..  trans-97.84172.9-56.5-51.8142.400112.5K70 P71 N72 R97E67-K70 CarbonylContact C-O 3.46Å; E67-K70 VanDerWaalsContact C-O 3.29Å; E67-K70 CarbonylContact O-C 3.29Å; E67-K70 VanDerWaalsContact O-C 3.29Å; E67-P71 VanDerWaalsContact OE2-CA 3.25Å; E67-P71 WeakPolarHBondContact OE2-CA 3.4Å; E67-N72 PolarHBondContact OE2-N 3.11Å; E67-R97 IonicContact OE1-CZ 3.2Å; E67-R97 IonicContact OE1-NH1 3.51Å; E67-R97 PolarHBondContact OE1-NH1 3.25Å; E67-R97 IonicContact OE1-NH2 2.77Å; E67-R97 PolarHBondContact OE1-NH2 3.39Å; E67-R97 IonicContact OE2-NH1 3.59Å
68R77.8Confident84.1Confident210 Ų21058.1 Ų58.179%0.79228%0.284SS*.SBendtrans-124.3141.7177.6-66-172.9-179.8-166.60.7111.2T66T66-R68 VanDerWaalsContact CG2-O 3.23Å; T66-R68 WeakPolarHBondContact CG2-O 3.33Å; T66-R68 PolarHBondContact OG1-N 3.3Å; T66-R68 VanDerWaalsContact OG1-N 3.08Å; T66-R68 PolarHBondContact OG1-O 2.82Å; T66-R68 VanDerWaalsContact OG1-O 3.04Å
69P79.5Confident83.2Confident77 Ų7761.6 Ų61.650%0.530%0.298SS..SBendcis-82.4-5.13.533.7-34.8000114.4W22W22-P69 HydrophobicContact CZ2-CG 3.95Å
70K87.4Confident82.4Confident76 Ų7664.2 Ų64.233%0.3331%0.309SS..SBendtrans-132.3148.3176-162.7172.5-177.9-163.70109.4W22 E67 T73 H90W22-K70 HydrophobicContact CZ2-CB 3.95Å; E67-K70 CarbonylContact C-O 3.46Å; E67-K70 VanDerWaalsContact C-O 3.29Å; E67-K70 CarbonylContact O-C 3.29Å; E67-K70 VanDerWaalsContact O-C 3.29Å; K70-T73 WeakPolarHBondContact O-CB 3.4Å; K70-T73 PolarHBondContact O-OG1 2.91Å; K70-H90 VanDerWaalsContact CE-NE2 3.31Å; K70-H90 WeakPolarHBondContact CE-NE2 3.46Å; K70-H90 PolarHBondContact NZ-CD2 3.36Å; K70-H90 PolarHBondContact NZ-NE2 3.41Å
71P90Very high81.3Confident74 Ų7469 Ų6948%0.48132%0.321SS..THydrogen-bonded Turntrans-56155.9173.3-2635.1000112.4E67 T73 H90E67-P71 VanDerWaalsContact OE2-CA 3.25Å; E67-P71 WeakPolarHBondContact OE2-CA 3.4Å; P71-T73 PolarHBondContact O-N 2.58Å; P71-H90 PolarHBondContact O-ND1 3.08Å
72N93.4Very high79.3Confident21 Ų2174.4 Ų74.411%0.11235%0.353CS..THydrogen-bonded Turntrans58.632177.4-53.8-35.7000113.5E67 V91 D92 P94E67-N72 PolarHBondContact OE2-N 3.11Å; N72-V91 HydrophobicContact CB-CG2 4.2Å; N72-V91 WeakPolarHBondContact CB-O 3.34Å; N72-V91 PolarHBondContact O-N 3.15Å; N72-D92 PolarHBondContact ND2-O 2.7Å; N72-P94 WeakPolarHBondContact OD1-CG 3.33Å
73T93.9Very high77.4Confident0 Ų071 Ų710%034%0.34CS..EExtended strand (participates in β ladder)trans-84143.6175.8-65.50000110.2W22 T66 K70 P71 T88 F89 R97W22-T73 HydrophobicContact CH2-CG2 4.14Å; T66-T73 HydrophobicContact CG2-CG2 3.51Å; T66-T73 PolarHBondContact N-O 2.74Å; T66-T73 CarbonylContact O-C 3.53Å; T66-T73 WeakPolarHBondContact O-CA 3.4Å; T66-T73 VanDerWaalsContact O-CB 3.31Å; T66-T73 WeakPolarHBondContact O-CB 3.43Å; T66-T73 PolarHBondContact O-N 3.23Å; K70-T73 WeakPolarHBondContact O-CB 3.4Å; K70-T73 PolarHBondContact O-OG1 2.91Å; P71-T73 PolarHBondContact O-N 2.58Å; T73-T88 HydrophobicContact CG2-CG2 3.41Å; T73-T88 VanDerWaalsContact CG2-CG2 3.41Å; T73-F89 CarbonylContact C-O 3.58Å; T73-F89 VanDerWaalsContact CA-O 3.24Å; T73-F89 WeakPolarHBondContact CA-O 3.45Å; T73-F89 WeakPolarHBondContact CG2-O 3.46Å; T73-R97 WeakPolarHBondContact O-CD 3.43Å; T73-R97 PolarHBondContact O-NH1 3.27Å
74F94.4Very high75.9Confident0 Ų073.4 Ų73.40%036%0.356CS..EExtended strand (participates in β ladder)trans-133.4151.2166.466.1-84.2000110.8L12 M64 I76 F89 V91 R97 W100 T101 I104L12-F74 HydrophobicContact CD1-CZ 4.06Å; L12-F74 HydrophobicContact CD2-CE1 4.1Å; L12-F74 HydrophobicContact CD2-CZ 4Å; M64-F74 CarbonylContact O-C 3.29Å; M64-F74 VanDerWaalsContact O-CA 3.23Å; M64-F74 WeakPolarHBondContact O-CA 3.43Å; F74-I76 HydrophobicContact CD2-CG1 4.42Å; F74-I76 HydrophobicContact CE2-CD1 4.5Å; F74-I76 HydrophobicContact CE2-CG1 4.41Å; F74-F89 HydrophobicContact CD1-CB 3.95Å; F74-F89 HydrophobicContact CD2-CB 4.09Å; F74-F89 HydrophobicContact CD2-CD2 4.03Å; F74-F89 HydrophobicContact CD2-CG 4.46Å; F74-F89 HydrophobicContact CE1-CB 3.5Å; F74-F89 VanDerWaalsContact CE1-CB 3.5Å; F74-F89 HydrophobicContact CE1-CG 4.46Å; F74-F89 HydrophobicContact CE2-CB 3.64Å; F74-F89 AromaticContact CE2-CD2 3.57Å; F74-F89 HydrophobicContact CE2-CD2 3.57Å; F74-F89 AromaticContact CE2-CG 3.82Å; F74-F89 HydrophobicContact CE2-CG 3.82Å; F74-F89 HydrophobicContact CG-CB 4.24Å; F74-F89 HydrophobicContact CZ-CB 3.34Å; F74-F89 HydrophobicContact CZ-CD2 4.09Å; F74-F89 AromaticContact CZ-CG 3.83Å; F74-F89 HydrophobicContact CZ-CG 3.83Å; F74-F89 PolarHBondContact N-O 2.9Å; F74-F89 PolarHBondContact O-N 2.8Å; F74-V91 HydrophobicContact CE1-CG1 4.2Å; F74-R97 HydrophobicContact CB-CG 4.12Å; F74-R97 HydrophobicContact CD1-CG 3.94Å; F74-R97 HydrophobicContact CG-CG 4.39Å; F74-W100 HydrophobicContact CE1-CB 4.35Å; F74-W100 HydrophobicContact CZ-CB 4.07Å; F74-W100 HydrophobicContact CZ-CG 4.48Å; F74-T101 HydrophobicContact CB-CG2 3.77Å; F74-T101 HydrophobicContact CD2-CG2 3.96Å; F74-T101 HydrophobicContact CG-CG2 3.86Å; F74-I104 HydrophobicContact CE2-CD1 4.02Å
75I90Very high74.6Confident25 Ų2571.6 Ų71.613%0.12835%0.347CS..EExtended strand (participates in β ladder)trans-124128.5-177.5-56.3172000107.6L63 M64 T66 E86 R87 T88L63-I75 WeakPolarHBondContact CA-O 3.46Å; M64-I75 HydrophobicContact CB-CB 4.3Å; M64-I75 PolarHBondContact N-O 2.92Å; M64-I75 PolarHBondContact O-N 2.73Å; T66-I75 HydrophobicContact CG2-CD1 4.04Å; T66-I75 HydrophobicContact CG2-CG1 4.31Å; I75-E86 HydrophobicContact CG2-CB 4Å; I75-E86 HydrophobicContact CG2-CG 4.25Å; I75-R87 CarbonylContact C-O 3.55Å; I75-R87 VanDerWaalsContact CA-O 3.31Å; I75-R87 WeakPolarHBondContact CA-O 3.5Å; I75-T88 HydrophobicContact CG1-CG2 4.03Å
76I87.6Confident73.9Confident1 Ų170.7 Ų70.71%0.00535%0.345CS..EExtended strand (participates in β ladder)trans-96116.3166.9-50.8177.2000106.1F35 F55 C61 L63 F74 E86 R87 F89 I104F35-I76 HydrophobicContact CD1-CD1 3.73Å; F35-I76 HydrophobicContact CE1-CD1 3.57Å; F55-I76 HydrophobicContact CE2-CD1 3.95Å; F55-I76 HydrophobicContact CZ-CD1 4.26Å; C61-I76 HydrophobicContact CB-CG2 4.38Å; L63-I76 HydrophobicContact CD2-CB 4.42Å; L63-I76 HydrophobicContact CD2-CG1 3.73Å; F74-I76 HydrophobicContact CD2-CG1 4.42Å; F74-I76 HydrophobicContact CE2-CD1 4.5Å; F74-I76 HydrophobicContact CE2-CG1 4.41Å; I76-E86 CarbonylContact O-C 3.47Å; I76-E86 WeakPolarHBondContact O-CA 2.97Å; I76-R87 PolarHBondContact N-O 3.21Å; I76-R87 PolarHBondContact O-N 3.05Å; I76-F89 HydrophobicContact CB-CE2 4.39Å; I76-F89 HydrophobicContact CD1-CD2 4.13Å; I76-F89 HydrophobicContact CD1-CE2 3.58Å; I76-F89 HydrophobicContact CD1-CZ 4.41Å; I76-F89 HydrophobicContact CG1-CD2 4.12Å; I76-F89 HydrophobicContact CG1-CE2 3.82Å; I76-I104 HydrophobicContact CD1-CD1 3.8Å; I76-I104 HydrophobicContact CD1-CG2 4.48Å; I76-I104 HydrophobicContact CG1-CD1 4.46Å
77R79.8Confident73.6Confident70 Ų7071.2 Ų71.226%0.26434%0.342SS..EExtended strand (participates in β ladder)trans-110.4122.2175.3177.5-170.4-69.1163.1-4.8108.4C61 Q62 M64 V84 I85 E86C61-R77 CarbonylContact C-O 3.59Å; C61-R77 WeakPolarHBondContact CA-O 3.41Å; Q62-R77 HydrophobicContact CB-CB 4.2Å; Q62-R77 PolarHBondContact N-O 2.95Å; Q62-R77 PolarHBondContact O-N 3.11Å; M64-R77 PolarHBondContact SD-NH2 2.79Å; R77-V84 HydrophobicContact CG-CG1 3.46Å; R77-V84 VanDerWaalsContact CG-CG1 3.46Å; R77-I85 CarbonylContact C-O 3.55Å; R77-I85 VanDerWaalsContact CA-O 3.29Å; R77-I85 WeakPolarHBondContact CA-O 3.39Å; R77-E86 HydrophobicContact CB-CG 4.14Å; R77-E86 HydrophobicContact CG-CG 4.03Å; R77-E86 IonicContact CZ-OE1 2.77Å; R77-E86 IonicContact NE-OE1 2.63Å; R77-E86 PolarHBondContact NE-OE1 2.78Å; R77-E86 IonicContact NH2-OE1 3.75Å; R77-E86 PolarHBondContact NH2-OE1 3.35Å
78C70.9Confident73.5Confident7 Ų767.7 Ų67.75%0.04733%0.327CS..EExtended strand (participates in β ladder)trans-122.5144.2176.2-57.50000109.4A58 C61 Q80 I85A58-C78 HydrophobicContact CB-CB 4.43Å; C61-C78 WeakPolarHBondContact CB-SG 3.43Å; C78-Q80 HydrophobicContact CB-CG 4.46Å; C78-I85 PolarHBondContact N-O 2.8Å; C78-I85 PolarHBondContact O-N 2.9Å
79L50.5Low74.2Confident94 Ų9457.7 Ų57.749%0.49229%0.289SS..EExtended strand (participates in β ladder)trans-86.5112.5161.2-171.668.2000107.2V84L79-V84 HydrophobicContact CD1-CG2 4.03Å
80Q51.4Low74.9Confident79 Ų7954.3 Ų54.337%0.36927%0.267SS..EExtended strand (participates in β ladder)trans-106.8110.7169.6-70.1-171-9.200107.2C78 T82 T83 I85C78-Q80 HydrophobicContact CB-CG 4.46Å; Q80-T82 PolarHBondContact O-N 3.2Å; Q80-T83 PolarHBondContact N-O 3.06Å; Q80-T83 PolarHBondContact O-N 2.71Å; Q80-T83 VanDerWaalsContact O-N 3.08Å; Q80-I85 HydrophobicContact CB-CD1 3.87Å; Q80-I85 HydrophobicContact CG-CD1 4Å
81W48.5Very low75.3Confident250 Ų25050.8 Ų50.895%0.94725%0.252SS*.THydrogen-bonded Turntrans59.4-102.4-170.7-60.385000112
82T36.6Very low75.4Confident121 Ų12152.7 Ų52.774%0.74226%0.258SS*.THydrogen-bonded Turntrans-113.42.1179.451.40000113Q80Q80-T82 PolarHBondContact O-N 3.2Å
83T40.5Very low75.5Confident38 Ų3853 Ų5323%0.23326%0.262CS..EExtended strand (participates in β ladder)trans-110.7126.9-170.6-49.90000110.9Q80 I85 D184Q80-T83 PolarHBondContact N-O 3.06Å; Q80-T83 PolarHBondContact O-N 2.71Å; Q80-T83 VanDerWaalsContact O-N 3.08Å; T83-I85 HydrophobicContact CG2-CG1 4.2Å; T83-I85 PolarHBondContact O-N 3.29Å; T83-D184 WeakPolarHBondContact CB-OD2 3.43Å; T83-D184 WeakPolarHBondContact CG2-OD2 3.47Å; T83-D184 PolarHBondContact OG1-OD1 3.41Å; T83-D184 PolarHBondContact OG1-OD2 3.23Å
84V56.7Low75.4Confident89 Ų8956 Ų5654%0.53928%0.281SS..EExtended strand (participates in β ladder)trans-79.4110.5171.6-178.90000108.4R77 L79R77-V84 HydrophobicContact CG-CG1 3.46Å; R77-V84 VanDerWaalsContact CG-CG1 3.46Å; L79-V84 HydrophobicContact CD1-CG2 4.03Å
85I63.2Low75.4Confident37 Ų3761.9 Ų61.919%0.1931%0.309CS..EExtended strand (participates in β ladder)trans-101.8127.7177.2-59.6-178.7000108.6R77 C78 Q80 T83 R87R77-I85 CarbonylContact C-O 3.55Å; R77-I85 VanDerWaalsContact CA-O 3.29Å; R77-I85 WeakPolarHBondContact CA-O 3.39Å; C78-I85 PolarHBondContact N-O 2.8Å; C78-I85 PolarHBondContact O-N 2.9Å; Q80-I85 HydrophobicContact CB-CD1 3.87Å; Q80-I85 HydrophobicContact CG-CD1 4Å; T83-I85 HydrophobicContact CG2-CG1 4.2Å; T83-I85 PolarHBondContact O-N 3.29Å; I85-R87 VanDerWaalsContact CG2-CZ 3.42Å; I85-R87 VanDerWaalsContact CG2-NH1 3.31Å
86E79.4Confident75.6Confident79 Ų7964.1 Ų64.137%0.36932%0.318SS..EExtended strand (participates in β ladder)trans-111.9138.4174.2-65.3-170.9158.100111.1I75 I76 R77I75-E86 HydrophobicContact CG2-CB 4Å; I75-E86 HydrophobicContact CG2-CG 4.25Å; I76-E86 CarbonylContact O-C 3.47Å; I76-E86 WeakPolarHBondContact O-CA 2.97Å; R77-E86 HydrophobicContact CB-CG 4.14Å; R77-E86 HydrophobicContact CG-CG 4.03Å; R77-E86 IonicContact CZ-OE1 2.77Å; R77-E86 IonicContact NE-OE1 2.63Å; R77-E86 PolarHBondContact NE-OE1 2.78Å; R77-E86 IonicContact NH2-OE1 3.75Å; R77-E86 PolarHBondContact NH2-OE1 3.35Å
87R82.6Confident76Confident51 Ų5165.2 Ų65.219%0.19232%0.323CS..EExtended strand (participates in β ladder)trans-127.3117.7173.4-60.4-66.7176.6-120.120.8108.5E17 F55 I75 I76 I85 F89E17-R87 IonicContact OE1-CZ 2.76Å; E17-R87 IonicContact OE1-NE 2.65Å; E17-R87 PolarHBondContact OE1-NE 2.85Å; E17-R87 IonicContact OE1-NH1 2.92Å; E17-R87 PolarHBondContact OE1-NH1 3.29Å; E17-R87 IonicContact OE1-NH2 3.97Å; E17-R87 PolarHBondContact OE1-NH2 3.36Å; E17-R87 VanDerWaalsContact OE1-NH2 3.09Å; E17-R87 IonicContact OE2-CZ 3.19Å; E17-R87 IonicContact OE2-NH1 3.15Å; E17-R87 PolarHBondContact OE2-NH1 3.27Å; E17-R87 IonicContact OE2-NH2 2.69Å; E17-R87 PolarHBondContact OE2-NH2 3.27Å; F55-R87 HydrophobicContact CD2-CG 4.4Å; F55-R87 HydrophobicContact CE1-CG 4.32Å; F55-R87 HydrophobicContact CE2-CB 4.46Å; F55-R87 HydrophobicContact CE2-CG 4.17Å; F55-R87 HydrophobicContact CZ-CB 4.27Å; F55-R87 HydrophobicContact CZ-CG 4.16Å; I75-R87 CarbonylContact C-O 3.55Å; I75-R87 VanDerWaalsContact CA-O 3.31Å; I75-R87 WeakPolarHBondContact CA-O 3.5Å; I76-R87 PolarHBondContact N-O 3.21Å; I76-R87 PolarHBondContact O-N 3.05Å; I85-R87 VanDerWaalsContact CG2-CZ 3.42Å; I85-R87 VanDerWaalsContact CG2-NH1 3.31Å; R87-F89 HydrophobicContact CB-CE2 3.43Å; R87-F89 VanDerWaalsContact CB-CE2 3.43Å; R87-F89 HydrophobicContact CB-CZ 3.61Å; R87-F89 WeakPolarHBondContact O-CD2 3.16Å; R87-F89 WeakPolarHBondContact O-CE2 3.37Å
88T88.7Confident76.7Confident22 Ų2266.5 Ų66.514%0.13533%0.332CS..EExtended strand (participates in β ladder)trans-101.9128.8-176.2-50.50000111.1R15 W22 T73 I75R15-T88 HydrophobicContact CB-CG2 4.43Å; R15-T88 PolarHBondContact N-O 3.11Å; W22-T88 HydrophobicContact CH2-CG2 3.79Å; W22-T88 HydrophobicContact CZ3-CG2 4.29Å; T73-T88 HydrophobicContact CG2-CG2 3.41Å; T73-T88 VanDerWaalsContact CG2-CG2 3.41Å; I75-T88 HydrophobicContact CG1-CG2 4.03Å
89F93.5Very high77.9Confident0 Ų071.2 Ų71.20%035%0.353CS..EExtended strand (participates in β ladder)trans-126.9152.9-178.4-56.8-80.2000111L12 H13 K14 F27 F35 F55 T73 F74 I76 R87L12-F89 HydrophobicContact CB-CD1 4.36Å; L12-F89 HydrophobicContact CD1-CD1 4.08Å; L12-F89 HydrophobicContact CD1-CG 4.46Å; H13-F89 CarbonylContact O-C 3.58Å; H13-F89 WeakPolarHBondContact O-CA 2.97Å; K14-F89 HydrophobicContact CB-CD1 4.24Å; K14-F89 HydrophobicContact CB-CE1 4.12Å; K14-F89 HydrophobicContact CG-CD1 4.31Å; K14-F89 HydrophobicContact CG-CE1 3.85Å; F27-F89 AromaticContact CE1-CE1 3.9Å; F27-F89 HydrophobicContact CE1-CE1 3.9Å; F27-F89 HydrophobicContact CE1-CZ 4.43Å; F27-F89 HydrophobicContact CE2-CD1 4.32Å; F27-F89 AromaticContact CE2-CE1 3.98Å; F27-F89 HydrophobicContact CE2-CE1 3.98Å; F27-F89 HydrophobicContact CZ-CD1 4.27Å; F27-F89 AromaticContact CZ-CE1 3.48Å; F27-F89 HydrophobicContact CZ-CE1 3.48Å; F27-F89 VanDerWaalsContact CZ-CE1 3.48Å; F27-F89 HydrophobicContact CZ-CZ 4.36Å; F35-F89 HydrophobicContact CE1-CE1 4.45Å; F35-F89 HydrophobicContact CE1-CE2 4.31Å; F35-F89 HydrophobicContact CE1-CZ 4.11Å; F55-F89 AromaticContact CE1-CZ 4Å; F55-F89 HydrophobicContact CE1-CZ 4Å; F55-F89 HydrophobicContact CE2-CZ 4.47Å; F55-F89 HydrophobicContact CZ-CE1 4.44Å; F55-F89 HydrophobicContact CZ-CE2 4.05Å; F55-F89 AromaticContact CZ-CZ 3.46Å; F55-F89 HydrophobicContact CZ-CZ 3.46Å; F55-F89 VanDerWaalsContact CZ-CZ 3.46Å; T73-F89 CarbonylContact C-O 3.58Å; T73-F89 VanDerWaalsContact CA-O 3.24Å; T73-F89 WeakPolarHBondContact CA-O 3.45Å; T73-F89 WeakPolarHBondContact CG2-O 3.46Å; F74-F89 HydrophobicContact CD1-CB 3.95Å; F74-F89 HydrophobicContact CD2-CB 4.09Å; F74-F89 HydrophobicContact CD2-CD2 4.03Å; F74-F89 HydrophobicContact CD2-CG 4.46Å; F74-F89 HydrophobicContact CE1-CB 3.5Å; F74-F89 VanDerWaalsContact CE1-CB 3.5Å; F74-F89 HydrophobicContact CE1-CG 4.46Å; F74-F89 HydrophobicContact CE2-CB 3.64Å; F74-F89 AromaticContact CE2-CD2 3.57Å; F74-F89 HydrophobicContact CE2-CD2 3.57Å; F74-F89 AromaticContact CE2-CG 3.82Å; F74-F89 HydrophobicContact CE2-CG 3.82Å; F74-F89 HydrophobicContact CG-CB 4.24Å; F74-F89 HydrophobicContact CZ-CB 3.34Å; F74-F89 HydrophobicContact CZ-CD2 4.09Å; F74-F89 AromaticContact CZ-CG 3.83Å; F74-F89 HydrophobicContact CZ-CG 3.83Å; F74-F89 PolarHBondContact N-O 2.9Å; F74-F89 PolarHBondContact O-N 2.8Å; I76-F89 HydrophobicContact CB-CE2 4.39Å; I76-F89 HydrophobicContact CD1-CD2 4.13Å; I76-F89 HydrophobicContact CD1-CE2 3.58Å; I76-F89 HydrophobicContact CD1-CZ 4.41Å; I76-F89 HydrophobicContact CG1-CD2 4.12Å; I76-F89 HydrophobicContact CG1-CE2 3.82Å; R87-F89 HydrophobicContact CB-CE2 3.43Å; R87-F89 VanDerWaalsContact CB-CE2 3.43Å; R87-F89 HydrophobicContact CB-CZ 3.61Å; R87-F89 WeakPolarHBondContact O-CD2 3.16Å; R87-F89 WeakPolarHBondContact O-CE2 3.37Å
90H93.9Very high80.1Confident7 Ų767.1 Ų67.13%0.03233%0.331CS..EExtended strand (participates in β ladder)trans-135.7145.3174150.772.7000109.8H13 W22 K70 P71 D92H13-H90 HydrophobicContact CB-CB 4.22Å; H13-H90 WeakPolarHBondContact CB-O 2.98Å; H13-H90 AromaticContact CG-CD2 3.69Å; H13-H90 PolarHBondContact N-O 3.18Å; H13-H90 AromaticContact ND1-CD2 3.65Å; H13-H90 PolarHBondContact O-N 3.45Å; W22-H90 HydrophobicContact CE3-CB 3.91Å; W22-H90 HydrophobicContact CH2-CB 3.65Å; W22-H90 HydrophobicContact CZ2-CB 4.37Å; W22-H90 HydrophobicContact CZ3-CB 3.41Å; W22-H90 VanDerWaalsContact CZ3-CB 3.41Å; K70-H90 VanDerWaalsContact CE-NE2 3.31Å; K70-H90 WeakPolarHBondContact CE-NE2 3.46Å; K70-H90 PolarHBondContact NZ-CD2 3.36Å; K70-H90 PolarHBondContact NZ-NE2 3.41Å; P71-H90 PolarHBondContact O-ND1 3.08Å; H90-D92 IonicContact NE2-OD1 2.8Å
91V95.3Very high82.1Confident2 Ų263.6 Ų63.61%0.01232%0.315CS..  trans-131.8163175-71.20000110.2L12 N72 F74 S93 E96 R97L12-V91 HydrophobicContact CD2-CG1 3.22Å; N72-V91 HydrophobicContact CB-CG2 4.2Å; N72-V91 WeakPolarHBondContact CB-O 3.34Å; N72-V91 PolarHBondContact O-N 3.15Å; F74-V91 HydrophobicContact CE1-CG1 4.2Å; V91-S93 WeakPolarHBondContact CG2-O 3.28Å; V91-S93 PolarHBondContact O-N 3.38Å; V91-E96 HydrophobicContact CB-CB 3.98Å; V91-E96 HydrophobicContact CG1-CB 4.37Å; V91-E96 HydrophobicContact CG2-CB 4.02Å; V91-R97 HydrophobicContact CG2-CB 3.59Å
92D93.2Very high84.2Confident114 Ų11457.6 Ų57.661%0.6130%0.295SS*.SBendtrans-77.5-24.6-170.7-65.8-40000112.7N72 H90N72-D92 PolarHBondContact ND2-O 2.7Å; H90-D92 IonicContact NE2-OD1 2.8Å
93S94.3Very high86.9Confident28 Ų2852.3 Ų52.320%0.19626%0.264CS..SBendtrans-127.6149.9-177.666.30000114.2V91 E95 E96 R97V91-S93 WeakPolarHBondContact CG2-O 3.28Å; V91-S93 PolarHBondContact O-N 3.38Å; S93-E95 WeakPolarHBondContact CB-OE2 3.34Å; S93-E95 PolarHBondContact O-N 2.75Å; S93-E96 PolarHBondContact O-N 3.21Å; S93-E96 WeakPolarHBondContact OG-CB 3.1Å; S93-E96 VanDerWaalsContact OG-CG 3.22Å; S93-E96 WeakPolarHBondContact OG-CG 3.42Å; S93-E96 PolarHBondContact OG-N 2.96Å; S93-E96 PolarHBondContact OG-OE1 2.91Å; S93-R97 PolarHBondContact O-N 3.5Å
94P92.7Very high89.4Confident61 Ų6150.5 Ų50.540%0.39625%0.253SS..Hα-helixtrans-58.7-35.2171.2-20.729.8000112.9N72 R97 E98N72-P94 WeakPolarHBondContact OD1-CG 3.33Å; P94-R97 WeakPolarHBondContact O-CB 3.34Å; P94-R97 PolarHBondContact O-N 3.44Å; P94-E98 PolarHBondContact O-N 2.97Å
95E94.9Very high91Very high124 Ų12449.4 Ų49.458%0.57924%0.242SC*.Hα-helixtrans-65-44179.8-64.371.7-155.200111.1S93 R97 E98 Q99S93-E95 WeakPolarHBondContact CB-OE2 3.34Å; S93-E95 PolarHBondContact O-N 2.75Å; E95-R97 VanDerWaalsContact C-N 3.31Å; E95-R97 PolarHBondContact O-N 2.8Å; E95-E98 PolarHBondContact O-N 3.21Å; E95-Q99 WeakPolarHBondContact O-CG 3.44Å; E95-Q99 PolarHBondContact O-N 2.88Å
96E94.1Very high92.3Very high72 Ų7252.4 Ų52.434%0.33626%0.255SS..Hα-helixtrans-62-39.8173.3-80.1169.8-144.300111.8V91 S93 E98 Q99 W100V91-E96 HydrophobicContact CB-CB 3.98Å; V91-E96 HydrophobicContact CG1-CB 4.37Å; V91-E96 HydrophobicContact CG2-CB 4.02Å; S93-E96 PolarHBondContact O-N 3.21Å; S93-E96 WeakPolarHBondContact OG-CB 3.1Å; S93-E96 VanDerWaalsContact OG-CG 3.22Å; S93-E96 WeakPolarHBondContact OG-CG 3.42Å; S93-E96 PolarHBondContact OG-N 2.96Å; S93-E96 PolarHBondContact OG-OE1 2.91Å; E96-E98 VanDerWaalsContact C-N 3.29Å; E96-E98 PolarHBondContact O-N 3.14Å; E96-Q99 PolarHBondContact O-N 3.34Å; E96-W100 VanDerWaalsContact O-CD1 3.28Å; E96-W100 PolarHBondContact O-N 2.87Å
97R96.2Very high92.8Very high25 Ų2549.2 Ų49.29%0.09424%0.241CC..Hα-helixtrans-62.1-42.5177.9-179.5174.563.2-178.3-5.3110.2T66 E67 T73 F74 V91 S93 P94 E95 W100 T101T66-R97 PolarHBondContact O-NH1 2.92Å; E67-R97 IonicContact OE1-CZ 3.2Å; E67-R97 IonicContact OE1-NH1 3.51Å; E67-R97 PolarHBondContact OE1-NH1 3.25Å; E67-R97 IonicContact OE1-NH2 2.77Å; E67-R97 PolarHBondContact OE1-NH2 3.39Å; E67-R97 IonicContact OE2-NH1 3.59Å; T73-R97 WeakPolarHBondContact O-CD 3.43Å; T73-R97 PolarHBondContact O-NH1 3.27Å; F74-R97 HydrophobicContact CB-CG 4.12Å; F74-R97 HydrophobicContact CD1-CG 3.94Å; F74-R97 HydrophobicContact CG-CG 4.39Å; V91-R97 HydrophobicContact CG2-CB 3.59Å; S93-R97 PolarHBondContact O-N 3.5Å; P94-R97 WeakPolarHBondContact O-CB 3.34Å; P94-R97 PolarHBondContact O-N 3.44Å; E95-R97 VanDerWaalsContact C-N 3.31Å; E95-R97 PolarHBondContact O-N 2.8Å; R97-W100 PolarHBondContact O-N 2.84Å; R97-T101 HydrophobicContact CG-CG2 4.32Å; R97-T101 WeakPolarHBondContact O-CB 2.96Å; R97-T101 WeakPolarHBondContact O-CG2 3.25Å; R97-T101 PolarHBondContact O-N 3.06Å; R97-T101 PolarHBondContact O-OG1 3.49Å
98E94.8Very high92.9Very high96 Ų9646.8 Ų46.845%0.44923%0.232SC..Hα-helixtrans-63.5-46.4177.6-160.260.3-137.700111.3K65 P94 E95 E96 W100 T101 K102K65-E98 IonicContact NZ-OE1 2.71Å; K65-E98 PolarHBondContact NZ-OE1 3.26Å; K65-E98 IonicContact NZ-OE2 2.86Å; K65-E98 PolarHBondContact NZ-OE2 3.33Å; P94-E98 PolarHBondContact O-N 2.97Å; E95-E98 PolarHBondContact O-N 3.21Å; E96-E98 VanDerWaalsContact C-N 3.29Å; E96-E98 PolarHBondContact O-N 3.14Å; E98-W100 PolarHBondContact O-N 3.35Å; E98-T101 PolarHBondContact O-N 3.27Å; E98-T101 PolarHBondContact O-OG1 3.41Å; E98-K102 WeakPolarHBondContact O-CB 3.35Å; E98-K102 PolarHBondContact O-N 3Å
99Q95.1Very high92.8Very high107 Ų10748.9 Ų48.950%0.524%0.242SC..Hα-helixtrans-61.2-42.6178.3-69.4175.515.800112.8E95 E96 A103E95-Q99 WeakPolarHBondContact O-CG 3.44Å; E95-Q99 PolarHBondContact O-N 2.88Å; E96-Q99 PolarHBondContact O-N 3.34Å; Q99-A103 WeakPolarHBondContact O-CB 3.05Å; Q99-A103 PolarHBondContact O-N 2.88Å; Q99-A103 VanDerWaalsContact O-N 3.14Å
100W95.7Very high92.4Very high8 Ų850.4 Ų50.43%0.0326%0.258CS..Hα-helixtrans-67.6-50177.8-85.7109.5000112K8 L12 F27 L29 F35 F74 E96 R97 E98 K102 A103 I104K8-W100 HydrophobicContact CB-CE3 4.47Å; K8-W100 HydrophobicContact CB-CH2 4.37Å; K8-W100 HydrophobicContact CB-CZ3 3.99Å; K8-W100 HydrophobicContact CD-CD2 3.7Å; K8-W100 HydrophobicContact CD-CE3 3.58Å; K8-W100 HydrophobicContact CD-CG 4.23Å; K8-W100 HydrophobicContact CD-CH2 4.29Å; K8-W100 HydrophobicContact CD-CZ2 4.4Å; K8-W100 HydrophobicContact CD-CZ3 3.87Å; K8-W100 HydrophobicContact CG-CD2 4.36Å; K8-W100 HydrophobicContact CG-CE3 4.05Å; K8-W100 HydrophobicContact CG-CH2 3.89Å; K8-W100 HydrophobicContact CG-CZ2 4.21Å; K8-W100 HydrophobicContact CG-CZ3 3.78Å; L12-W100 HydrophobicContact CD1-CD2 4.27Å; L12-W100 HydrophobicContact CD1-CE3 4.43Å; L12-W100 HydrophobicContact CD1-CZ2 4.35Å; L12-W100 HydrophobicContact CD2-CD2 4.07Å; L12-W100 HydrophobicContact CD2-CG 4.04Å; L12-W100 HydrophobicContact CD2-CZ2 4.32Å; L12-W100 HydrophobicContact CG-CZ2 4.16Å; F27-W100 HydrophobicContact CB-CH2 4.14Å; L29-W100 HydrophobicContact CB-CZ3 4.31Å; F35-W100 HydrophobicContact CE2-CE3 4.2Å; F35-W100 HydrophobicContact CE2-CH2 4.28Å; F35-W100 AromaticContact CE2-CZ3 3.6Å; F35-W100 HydrophobicContact CE2-CZ3 3.6Å; F35-W100 HydrophobicContact CZ-CE3 4.31Å; F35-W100 HydrophobicContact CZ-CZ3 4.1Å; F74-W100 HydrophobicContact CE1-CB 4.35Å; F74-W100 HydrophobicContact CZ-CB 4.07Å; F74-W100 HydrophobicContact CZ-CG 4.48Å; E96-W100 VanDerWaalsContact O-CD1 3.28Å; E96-W100 PolarHBondContact O-N 2.87Å; R97-W100 PolarHBondContact O-N 2.84Å; E98-W100 PolarHBondContact O-N 3.35Å; W100-K102 VanDerWaalsContact C-N 3.32Å; W100-K102 PolarHBondContact O-N 3.27Å; W100-A103 PolarHBondContact O-N 3.41Å; W100-I104 WeakPolarHBondContact O-CD1 3.45Å; W100-I104 VanDerWaalsContact O-CG1 3.24Å; W100-I104 WeakPolarHBondContact O-CG1 3.22Å; W100-I104 PolarHBondContact O-N 3.39Å
101T94.1Very high91.8Very high5 Ų551.3 Ų51.33%0.03126%0.263CS..Hα-helixtrans-63.7-38.5-179.352.20000112L63 K65 F74 R97 E98 I104 Q105L63-T101 WeakPolarHBondContact CD1-O 3.46Å; L63-T101 HydrophobicContact CD2-CG2 4.38Å; K65-T101 WeakPolarHBondContact CE-OG1 3.4Å; K65-T101 HydrophobicContact CG-CG2 4.46Å; F74-T101 HydrophobicContact CB-CG2 3.77Å; F74-T101 HydrophobicContact CD2-CG2 3.96Å; F74-T101 HydrophobicContact CG-CG2 3.86Å; R97-T101 HydrophobicContact CG-CG2 4.32Å; R97-T101 WeakPolarHBondContact O-CB 2.96Å; R97-T101 WeakPolarHBondContact O-CG2 3.25Å; R97-T101 PolarHBondContact O-N 3.06Å; R97-T101 PolarHBondContact O-OG1 3.49Å; E98-T101 PolarHBondContact O-N 3.27Å; E98-T101 PolarHBondContact O-OG1 3.41Å; T101-I104 PolarHBondContact O-N 2.89Å; T101-Q105 WeakPolarHBondContact O-CB 3.38Å; T101-Q105 PolarHBondContact O-N 3.41Å
102K93.9Very high91.1Very high123 Ų12354.9 Ų54.954%0.53528%0.279SS..Hα-helixtrans-62.7-48.1174.8-167.9-173.3-174.1-116.90112.2E98 W100 I104 Q105 E106E98-K102 WeakPolarHBondContact O-CB 3.35Å; E98-K102 PolarHBondContact O-N 3Å; W100-K102 VanDerWaalsContact C-N 3.32Å; W100-K102 PolarHBondContact O-N 3.27Å; K102-I104 VanDerWaalsContact C-N 3.33Å; K102-I104 PolarHBondContact O-N 2.75Å; K102-Q105 PolarHBondContact O-N 3.41Å; K102-E106 WeakPolarHBondContact CE-OE1 3.22Å; K102-E106 HydrophobicContact CG-CG 4.47Å; K102-E106 IonicContact NZ-OE1 3.88Å; K102-E106 PolarHBondContact NZ-OE1 3.33Å; K102-E106 WeakPolarHBondContact O-CG 3.46Å; K102-E106 PolarHBondContact O-N 2.86Å
103A93.3Very high90.3Very high10 Ų1055.6 Ų55.68%0.08328%0.277CS..Hα-helixtrans-62.5-40.1179.500000112.3K8 L29 Q99 W100 E106 V107K8-A103 HydrophobicContact CB-CB 4.21Å; K8-A103 HydrophobicContact CD-CB 3.82Å; L29-A103 HydrophobicContact CD2-CB 3.95Å; Q99-A103 WeakPolarHBondContact O-CB 3.05Å; Q99-A103 PolarHBondContact O-N 2.88Å; Q99-A103 VanDerWaalsContact O-N 3.14Å; W100-A103 PolarHBondContact O-N 3.41Å; A103-E106 PolarHBondContact O-N 2.95Å; A103-V107 WeakPolarHBondContact O-CG2 3.33Å; A103-V107 PolarHBondContact O-N 2.87Å; A103-V107 VanDerWaalsContact O-N 3.14Å
104I91.9Very high89.3Confident0 Ų059.3 Ų59.30%029%0.291CS..Hα-helixtrans-64.6-43.5176.6-66.3161.6000110.6L29 F35 V57 L63 F74 I76 W100 T101 K102 V107 A108L29-I104 HydrophobicContact CD1-CG1 4.46Å; L29-I104 HydrophobicContact CD2-CG1 3.92Å; F35-I104 HydrophobicContact CE1-CD1 4.31Å; F35-I104 HydrophobicContact CZ-CD1 4.34Å; V57-I104 HydrophobicContact CB-CG2 4.49Å; V57-I104 HydrophobicContact CG1-CG2 3.7Å; V57-I104 HydrophobicContact CG2-CG2 3.89Å; L63-I104 HydrophobicContact CD1-CB 4.04Å; L63-I104 HydrophobicContact CD1-CG2 3.91Å; L63-I104 HydrophobicContact CD2-CG2 4.07Å; L63-I104 HydrophobicContact CG-CG2 4.31Å; F74-I104 HydrophobicContact CE2-CD1 4.02Å; I76-I104 HydrophobicContact CD1-CD1 3.8Å; I76-I104 HydrophobicContact CD1-CG2 4.48Å; I76-I104 HydrophobicContact CG1-CD1 4.46Å; W100-I104 WeakPolarHBondContact O-CD1 3.45Å; W100-I104 VanDerWaalsContact O-CG1 3.24Å; W100-I104 WeakPolarHBondContact O-CG1 3.22Å; W100-I104 PolarHBondContact O-N 3.39Å; T101-I104 PolarHBondContact O-N 2.89Å; K102-I104 VanDerWaalsContact C-N 3.33Å; K102-I104 PolarHBondContact O-N 2.75Å; I104-V107 PolarHBondContact O-N 3.45Å; I104-A108 PolarHBondContact O-N 2.76Å
105Q90.5Very high87.9Confident67 Ų6761.5 Ų61.531%0.31330%0.296SS..Hα-helixtrans-64.4-43.5177.6-166.865.358.400111.8L63 T101 K102 V107 A108 D109L63-Q105 HydrophobicContact CD1-CB 3.98Å; T101-Q105 WeakPolarHBondContact O-CB 3.38Å; T101-Q105 PolarHBondContact O-N 3.41Å; K102-Q105 PolarHBondContact O-N 3.41Å; Q105-V107 VanDerWaalsContact C-N 3.27Å; Q105-V107 PolarHBondContact O-N 3.04Å; Q105-A108 PolarHBondContact O-N 2.87Å; Q105-D109 PolarHBondContact NE2-OD1 3.46Å; Q105-D109 WeakPolarHBondContact O-CB 3.43Å; Q105-D109 PolarHBondContact O-N 3.25Å
106E90.8Very high86.5Confident100 Ų10061.2 Ų61.247%0.46730%0.295SS..Hα-helixtrans-59.8-37.8177.9-74.8172.8-179.900112K102 A103 G110K102-E106 WeakPolarHBondContact CE-OE1 3.22Å; K102-E106 HydrophobicContact CG-CG 4.47Å; K102-E106 IonicContact NZ-OE1 3.88Å; K102-E106 PolarHBondContact NZ-OE1 3.33Å; K102-E106 WeakPolarHBondContact O-CG 3.46Å; K102-E106 PolarHBondContact O-N 2.86Å; A103-E106 PolarHBondContact O-N 2.95Å; E106-G110 PolarHBondContact O-N 3.06Å; E106-G110 VanDerWaalsContact O-N 3.15Å
107V89Confident84.8Confident11 Ų1164.8 Ų64.87%0.06731%0.312CS..Hα-helixtrans-69.6-45.5174173.60000111.4V7 L29 A103 I104 Q105 D109 G110 L111V7-V107 HydrophobicContact CB-CG2 4.14Å; V7-V107 HydrophobicContact CG1-CG2 3.89Å; V7-V107 HydrophobicContact CG2-CG2 3.88Å; L29-V107 HydrophobicContact CD1-CG2 4.46Å; L29-V107 HydrophobicContact CD2-CG2 4.01Å; L29-V107 HydrophobicContact CG-CG2 4.2Å; A103-V107 WeakPolarHBondContact O-CG2 3.33Å; A103-V107 PolarHBondContact O-N 2.87Å; A103-V107 VanDerWaalsContact O-N 3.14Å; I104-V107 PolarHBondContact O-N 3.45Å; Q105-V107 VanDerWaalsContact C-N 3.27Å; Q105-V107 PolarHBondContact O-N 3.04Å; V107-D109 PolarHBondContact O-N 3.3Å; V107-G110 PolarHBondContact O-N 3.28Å; V107-L111 HydrophobicContact CG1-CD1 4.09Å; V107-L111 WeakPolarHBondContact O-CG 3.31Å; V107-L111 PolarHBondContact O-N 3.31Å
108A86.1Confident83Confident0 Ų072.3 Ų72.30%034%0.34CS..Hα-helixtrans-58.4-4917800000112V57 I104 Q105 G110 L111 Q112V57-A108 HydrophobicContact CG1-CB 3.8Å; I104-A108 PolarHBondContact O-N 2.76Å; Q105-A108 PolarHBondContact O-N 2.87Å; A108-G110 VanDerWaalsContact C-N 3.27Å; A108-G110 PolarHBondContact O-N 3.38Å; A108-L111 PolarHBondContact O-N 3.05Å; A108-Q112 PolarHBondContact O-N 3.16Å
109D85.9Confident80.7Confident66 Ų6675.8 Ų75.835%0.35336%0.358SS..Hα-helixtrans-62.5-36178.7-64.6-6.8000111.7Q105 V107 K113Q105-D109 PolarHBondContact NE2-OD1 3.46Å; Q105-D109 WeakPolarHBondContact O-CB 3.43Å; Q105-D109 PolarHBondContact O-N 3.25Å; V107-D109 PolarHBondContact O-N 3.3Å; D109-K113 WeakPolarHBondContact O-CG 3.44Å; D109-K113 PolarHBondContact O-N 3.27Å
110G85Confident78.2Confident32 Ų3277.8 Ų77.833%0.3337%0.373SS..Hα-helixtrans-65.8-38.8176.200000112.9E106 V107 A108 Q114E106-G110 PolarHBondContact O-N 3.06Å; E106-G110 VanDerWaalsContact O-N 3.15Å; V107-G110 PolarHBondContact O-N 3.28Å; A108-G110 VanDerWaalsContact C-N 3.27Å; A108-G110 PolarHBondContact O-N 3.38Å; G110-Q114 PolarHBondContact O-N 3.42Å
111L81.8Confident75.3Confident26 Ų2681.7 Ų81.714%0.13640%0.401CS..Hα-helixtrans-71.4-38.3176.6-65.9168.4000111.8P59 V107 A108 K113 Q114 E115P59-L111 HydrophobicContact CG-CB 4.07Å; V107-L111 HydrophobicContact CG1-CD1 4.09Å; V107-L111 WeakPolarHBondContact O-CG 3.31Å; V107-L111 PolarHBondContact O-N 3.31Å; A108-L111 PolarHBondContact O-N 3.05Å; L111-K113 PolarHBondContact O-N 3.12Å; L111-Q114 PolarHBondContact O-N 2.83Å; L111-E115 PolarHBondContact O-N 2.84Å
112Q79.6Confident72.8Confident77 Ų7787.1 Ų87.136%0.3644%0.439SS..Hα-helixtrans-59.8-45176.5-170.8179.6-8.800111.8P59 A108 Q114 E115 E116P59-Q112 HydrophobicContact CB-CB 3.98Å; P59-Q112 HydrophobicContact CB-CG 4.46Å; A108-Q112 PolarHBondContact O-N 3.16Å; Q112-Q114 VanDerWaalsContact C-N 3.3Å; Q112-Q114 PolarHBondContact O-N 2.74Å; Q112-E115 PolarHBondContact O-N 3.45Å; Q112-E116 PolarHBondContact NE2-OE1 2.87Å; Q112-E116 VanDerWaalsContact NE2-OE1 3.09Å; Q112-E116 WeakPolarHBondContact O-CG 3.37Å; Q112-E116 PolarHBondContact O-N 3.02Å
113K76.7Confident70Confident129 Ų12987.3 Ų87.356%0.56145%0.453SS*.Hα-helixtrans-62.4-36.9176.4-71.2174-176.5172.70112.6D109 L111 E115 E116 E117D109-K113 WeakPolarHBondContact O-CG 3.44Å; D109-K113 PolarHBondContact O-N 3.27Å; L111-K113 PolarHBondContact O-N 3.12Å; K113-E115 VanDerWaalsContact C-N 3.35Å; K113-E116 PolarHBondContact O-N 2.86Å; K113-E117 WeakPolarHBondContact O-CB 3.39Å; K113-E117 VanDerWaalsContact O-CG 3.26Å; K113-E117 WeakPolarHBondContact O-CG 3.42Å; K113-E117 PolarHBondContact O-N 3.36Å
114Q72.5Confident67Low106 Ų10694.4 Ų94.450%0.49549%0.489SS..Hα-helixtrans-69.1-30.6176.2-73.9-176.99.300113.2G110 L111 Q112 R118G110-Q114 PolarHBondContact O-N 3.42Å; L111-Q114 PolarHBondContact O-N 2.83Å; Q112-Q114 VanDerWaalsContact C-N 3.3Å; Q112-Q114 PolarHBondContact O-N 2.74Å; Q114-R118 WeakPolarHBondContact O-CB 3.36Å; Q114-R118 VanDerWaalsContact O-CG 3.32Å; Q114-R118 WeakPolarHBondContact O-CG 3.41Å; Q114-R118 PolarHBondContact O-N 2.84Å
115E65.3Low64.5Low108 Ų10899.7 Ų99.751%0.50552%0.524SS..Hα-helixtrans-73.7-42.5173.7-76.1-173.6165.800111.9P59 L111 Q112 K113 E117 R118 M119P59-E115 WeakPolarHBondContact CG-OE2 3.33Å; L111-E115 PolarHBondContact O-N 2.84Å; Q112-E115 PolarHBondContact O-N 3.45Å; K113-E115 VanDerWaalsContact C-N 3.35Å; E115-E117 VanDerWaalsContact C-N 3.32Å; E115-E117 PolarHBondContact O-N 2.94Å; E115-R118 PolarHBondContact O-N 3.07Å; E115-M119 PolarHBondContact O-N 3.17Å; E115-M119 VanDerWaalsContact O-N 3.11Å
116E63.6Low61.7Low117 Ų117104.6 Ų104.655%0.54755%0.549SS..Hα-helixtrans-61.9-39.1175.1-71174-173.800111.6Q112 K113Q112-E116 PolarHBondContact NE2-OE1 2.87Å; Q112-E116 VanDerWaalsContact NE2-OE1 3.09Å; Q112-E116 WeakPolarHBondContact O-CG 3.37Å; Q112-E116 PolarHBondContact O-N 3.02Å; K113-E116 PolarHBondContact O-N 2.86Å
117E60Low58.6Low147 Ų147107.5 Ų107.569%0.68757%0.568SS**Hα-helixtrans-72.6-24.3175.4-73.7174.2-178.300113.7K113 E115K113-E117 WeakPolarHBondContact O-CB 3.39Å; K113-E117 VanDerWaalsContact O-CG 3.26Å; K113-E117 WeakPolarHBondContact O-CG 3.42Å; K113-E117 PolarHBondContact O-N 3.36Å; E115-E117 VanDerWaalsContact C-N 3.32Å; E115-E117 PolarHBondContact O-N 2.94Å
118R56.7Low56Low183 Ų183116 Ų11669%0.69161%0.609SS**Hα-helixtrans-81.1-26.7175.5-83179.3-178.61795.6113.2Q114 E115 D120 S121Q114-R118 WeakPolarHBondContact O-CB 3.36Å; Q114-R118 VanDerWaalsContact O-CG 3.32Å; Q114-R118 WeakPolarHBondContact O-CG 3.41Å; Q114-R118 PolarHBondContact O-N 2.84Å; E115-R118 PolarHBondContact O-N 3.07Å; R118-D120 VanDerWaalsContact C-N 3.25Å; R118-D120 PolarHBondContact O-N 2.94Å; R118-S121 PolarHBondContact O-OG 3.47Å
119M48.5Very low53.3Low170 Ų170125.3 Ų125.384%0.83765%0.652SS**THydrogen-bonded Turntrans-75.8-7.9178.1-82.2-179.665.100114.1E115E115-M119 PolarHBondContact O-N 3.17Å; E115-M119 VanDerWaalsContact O-N 3.11Å
120D41.4Very low50.5Low149 Ų149129.5 Ų129.580%0.79767%0.672SS**THydrogen-bonded Turntrans-95.717.1176.8-160.425.3000113.9R118R118-D120 VanDerWaalsContact C-N 3.25Å; R118-D120 PolarHBondContact O-N 2.94Å
121S35.8Very low47.7Very low90 Ų90138.6 Ų138.663%0.62970%0.698SS**  trans-129.698171.262.20000111R118R118-S121 PolarHBondContact O-OG 3.47Å
122S40.3Very low45.3Very low119 Ų119145.6 Ų145.683%0.83273%0.734SS**  trans-69.4151.2176.4-33.20000111.5
123P35.3Very low43Very low127 Ų127147.7 Ų147.783%0.82575%0.753SS**  trans-120.3152.5135.7515.6000112.9
124D31.4Very low40.7Very low158 Ų158150.4 Ų150.485%0.84576%0.764SS**  trans-52.5154.3-177.3-107.6-36.8000116
125P38.6Very low38.8Very low112 Ų112151.7 Ų151.773%0.72778%0.782SS**  trans-92.9102.5175.733.8-24.5000111
126M32.1Very low37.9Very low169 Ų169153.6 Ų153.683%0.83379%0.788SS**  trans-160.6103159.5-109.9166.182.500110.8
127D25.9Very low37.4Very low162 Ų162155.8 Ų155.887%0.86680%0.803SS**  trans169.488.5130-87.5-15.9000108.8
128M33.6Very low38Very low190 Ų190156.2 Ų156.294%0.93680%0.803SS**  trans-121.285.5168.2-169.2-179.6-70.500107.6
129E29.5Very low39.4Very low194 Ų194149 Ų14991%0.90778%0.779SS**  trans-160.3145.4149.3-123.5172.4-174.500114.2
130M27.4Very low41.4Very low154 Ų154143.7 Ų143.776%0.75976%0.756SS**  trans9779.2155.9-147.6168.671.300118.5
131Y27Very low43.7Very low223 Ų223138 Ų13888%0.87573%0.725SS**  trans-130.273.9131.3-73.1-75.7000110.3T133Y131-T133 VanDerWaalsContact C-N 3.32Å; Y131-T133 PolarHBondContact O-N 3.1Å
132L30.9Very low46.5Very low174 Ų174138 Ų13891%0.91172%0.723SS**  trans-68.796.3155-80.2166.6000107.6
133T29.8Very low49Very low121 Ų121135.4 Ų135.474%0.74270%0.7SS**  trans-100.5131.8161.949.30000108.9Y131Y131-T133 VanDerWaalsContact C-N 3.32Å; Y131-T133 PolarHBondContact O-N 3.1Å
134K28.9Very low51.8Low185 Ų185129.5 Ų129.580%0.80466%0.661SS**  trans-31.1146.4-173.5-63.6172.6178.5176.90114.9K136K134-K136 PolarHBondContact O-N 3.36Å
135P32.3Very low54.8Low134 Ų134126.3 Ų126.387%0.8764%0.641SS**  trans-62.498.2175.627.4-32.4000109.4
136K46.4Very low57.4Low147 Ų147123.8 Ų123.864%0.63962%0.617SS**  trans-69.6129.2158.7-72.3-177.4177.7-179.40105.5K134 K138K134-K136 PolarHBondContact O-N 3.36Å; K136-K138 PolarHBondContact O-N 2.82Å
137L53.3Low60.2Low164 Ų164118.5 Ų118.586%0.85959%0.592SS**  trans-45.4112172.4-82.3139.3000108.9V139L137-V139 PolarHBondContact O-N 3.34Å; L137-V139 VanDerWaalsContact O-N 3.11Å
138K73.7Confident63.3Low156 Ų156113.6 Ų113.668%0.67856%0.563SS**  trans-66.9107.7175-89.8-178.7171.2178.60106.9K136 E453K136-K138 PolarHBondContact O-N 2.82Å; K138-E453 IonicContact NZ-OE1 3.72Å; K138-E453 PolarHBondContact NZ-OE1 2.68Å; K138-E453 IonicContact NZ-OE2 2.8Å
139V85.4Confident65.9Low30 Ų30105.1 Ų105.118%0.18252%0.522CS..  trans-73.7136.4172.5173.30000108.9L137 F144 Y209 F211L137-V139 PolarHBondContact O-N 3.34Å; L137-V139 VanDerWaalsContact O-N 3.11Å; V139-F144 HydrophobicContact CG1-CE2 3.38Å; V139-F144 HydrophobicContact CG1-CZ 3.59Å; V139-Y209 HydrophobicContact CG1-CD2 4.21Å; V139-Y209 HydrophobicContact CG1-CG 4.23Å; V139-Y209 HydrophobicContact CG2-CD1 4.02Å; V139-Y209 HydrophobicContact CG2-CE1 3.99Å; V139-Y209 HydrophobicContact CG2-CG 4.43Å; V139-F211 HydrophobicContact CG1-CD1 4.37Å; V139-F211 HydrophobicContact CG1-CE1 4.29Å
140T90.4Very high68.6Low60 Ų6096.7 Ų96.737%0.36848%0.483SS..  trans-136.5167.1-17360.10000111.6P142 D143 F144T140-P142 VanDerWaalsContact C-CD 3.46Å; T140-P142 VanDerWaalsContact C-N 3.33Å; T140-P142 WeakPolarHBondContact OG1-CD 3.26Å; T140-D143 PolarHBondContact N-OD2 3.25Å; T140-D143 WeakPolarHBondContact O-CB 3.48Å; T140-D143 PolarHBondContact O-N 3.41Å; T140-D143 VanDerWaalsContact O-N 3.07Å; T140-D143 PolarHBondContact OG1-OD2 2.81Å; T140-F144 WeakPolarHBondContact O-CD2 3.44Å
141M90.8Very high71.1Confident30 Ų3090.1 Ų90.115%0.14845%0.454CS..G310 helixtrans-52.9-39.5179.3-66.9-65.6-82.100114.4D143 F144 Y146 M172 I174 F211 T213 I443M141-D143 PolarHBondContact O-N 2.79Å; M141-F144 PolarHBondContact O-N 3.31Å; M141-Y146 WeakPolarHBondContact CA-OH 3.38Å; M141-Y146 WeakPolarHBondContact CB-OH 3.47Å; M141-Y146 HydrophobicContact CE-CE1 4.03Å; M141-Y146 WeakPolarHBondContact CE-OH 3.37Å; M141-Y146 PolarHBondContact O-OH 3.15Å; M141-Y146 PolarHBondContact SD-OH 3.33Å; M141-Y146 VanDerWaalsContact SD-OH 3.4Å; M141-M172 HydrophobicContact CE-SD 4.18Å; M141-M172 HydrophobicContact SD-CE 4.44Å; M141-M172 HydrophobicContact SD-SD 3.79Å; M141-I174 HydrophobicContact CE-CD1 3.79Å; M141-I174 HydrophobicContact CE-CG1 4.42Å; M141-F211 HydrophobicContact CG-CE2 3.82Å; M141-F211 HydrophobicContact CG-CZ 4.27Å; M141-F211 HydrophobicContact SD-CE2 3.66Å; M141-F211 HydrophobicContact SD-CZ 3.68Å; M141-T213 HydrophobicContact CG-CG2 3.89Å; M141-I443 HydrophobicContact CE-CD1 4.39Å; M141-I443 HydrophobicContact CE-CG2 4.41Å
142P92.9Very high73.5Confident88 Ų8886.5 Ų86.557%0.57144%0.443SS*.G310 helixtrans-67.1-14.8177.6-25.137000115.9T140 F144 K164T140-P142 VanDerWaalsContact C-CD 3.46Å; T140-P142 VanDerWaalsContact C-N 3.33Å; T140-P142 WeakPolarHBondContact OG1-CD 3.26Å; P142-F144 PolarHBondContact O-N 3.07Å; P142-K164 WeakPolarHBondContact O-CE 3.49Å; P142-K164 PolarHBondContact O-NZ 3.33Å
143D92.7Very high75.2Confident65 Ų6580.7 Ų80.735%0.34843%0.425SS..G310 helixtrans-73.3-7.6178.5-61.2-47.3000112.7T140 M141 K164T140-D143 PolarHBondContact N-OD2 3.25Å; T140-D143 WeakPolarHBondContact O-CB 3.48Å; T140-D143 PolarHBondContact O-N 3.41Å; T140-D143 VanDerWaalsContact O-N 3.07Å; T140-D143 PolarHBondContact OG1-OD2 2.81Å; M141-D143 PolarHBondContact O-N 2.79Å; D143-K164 WeakPolarHBondContact O-CB 3.25Å; D143-K164 WeakPolarHBondContact O-CG 3.29Å; D143-K164 PolarHBondContact O-N 2.81Å
144F94.9Very high77Confident3 Ų379.3 Ų79.31%0.01342%0.417CS..EExtended strand (participates in β ladder)trans-116.3142-177.5-59.8-85.1000112.1V139 T140 M141 P142 V161 K162 E163 Y170 M172 Y209 F211 V220V139-F144 HydrophobicContact CG1-CE2 3.38Å; V139-F144 HydrophobicContact CG1-CZ 3.59Å; T140-F144 WeakPolarHBondContact O-CD2 3.44Å; M141-F144 PolarHBondContact O-N 3.31Å; P142-F144 PolarHBondContact O-N 3.07Å; F144-V161 HydrophobicContact CB-CB 4.11Å; F144-V161 HydrophobicContact CB-CG1 4.44Å; F144-V161 HydrophobicContact CD1-CB 4.23Å; F144-V161 HydrophobicContact CD1-CG2 3.8Å; F144-V161 HydrophobicContact CE1-CG2 4.46Å; F144-V161 HydrophobicContact CG-CB 4.49Å; F144-V161 HydrophobicContact CG-CG2 4.39Å; F144-K162 CarbonylContact C-O 3.58Å; F144-K162 WeakPolarHBondContact CA-O 3.5Å; F144-E163 HydrophobicContact CD1-CB 4.17Å; F144-E163 HydrophobicContact CE1-CB 3.98Å; F144-E163 HydrophobicContact CE1-CG 4.34Å; F144-Y170 HydrophobicContact CE1-CD2 4.49Å; F144-M172 HydrophobicContact CB-CE 3.98Å; F144-M172 HydrophobicContact CD1-CE 4.06Å; F144-M172 HydrophobicContact CD2-CE 3.34Å; F144-M172 HydrophobicContact CE1-CE 4.43Å; F144-M172 HydrophobicContact CE2-CE 3.76Å; F144-M172 HydrophobicContact CG-CE 3.5Å; F144-M172 HydrophobicContact CZ-CE 4.3Å; F144-Y209 HydrophobicContact CE1-CD2 4.35Å; F144-Y209 HydrophobicContact CE1-CE2 4.34Å; F144-Y209 AromaticContact CZ-CD2 3.75Å; F144-Y209 HydrophobicContact CZ-CD2 3.75Å; F144-Y209 AromaticContact CZ-CE2 3.99Å; F144-Y209 HydrophobicContact CZ-CE2 3.99Å; F144-F211 HydrophobicContact CE2-CE1 4.1Å; F144-F211 HydrophobicContact CE2-CZ 4.42Å; F144-V220 HydrophobicContact CE1-CG1 3.99Å; F144-V220 HydrophobicContact CE1-CG2 4.33Å; F144-V220 HydrophobicContact CE2-CG2 4.29Å; F144-V220 HydrophobicContact CZ-CG1 4.23Å; F144-V220 HydrophobicContact CZ-CG2 3.88Å
145E94.4Very high79Confident92 Ų9273.4 Ų73.443%0.4339%0.391SS..EExtended strand (participates in β ladder)trans-92.6129.1164.1-177-175.3178.300108.7L147 V161 K162E145-L147 HydrophobicContact CG-CD2 3.86Å; E145-V161 CarbonylContact O-C 3.39Å; E145-V161 WeakPolarHBondContact O-CA 3.4Å; E145-K162 HydrophobicContact CB-CB 4.32Å; E145-K162 PolarHBondContact N-O 2.89Å; E145-K162 PolarHBondContact O-N 3.01Å
146Y94Very high81.4Confident58 Ų5867.8 Ų67.823%0.22736%0.358CS..EExtended strand (participates in β ladder)trans-95.3121.3-178.2-57.7-90.1000109.9M141 I159 V161 M172 I174 I443M141-Y146 WeakPolarHBondContact CA-OH 3.38Å; M141-Y146 WeakPolarHBondContact CB-OH 3.47Å; M141-Y146 HydrophobicContact CE-CE1 4.03Å; M141-Y146 WeakPolarHBondContact CE-OH 3.37Å; M141-Y146 PolarHBondContact O-OH 3.15Å; M141-Y146 PolarHBondContact SD-OH 3.33Å; M141-Y146 VanDerWaalsContact SD-OH 3.4Å; Y146-I159 HydrophobicContact CD1-CD1 4.17Å; Y146-I159 HydrophobicContact CD1-CG2 4.07Å; Y146-V161 HydrophobicContact CD1-CG1 3.57Å; Y146-V161 HydrophobicContact CE1-CG1 3.92Å; Y146-V161 HydrophobicContact CG-CG1 4.36Å; Y146-M172 HydrophobicContact CE1-CE 4.46Å; Y146-M172 HydrophobicContact CE1-SD 3.89Å; Y146-I174 HydrophobicContact CE1-CD1 4.37Å; Y146-I443 HydrophobicContact CD1-CD1 3.25Å; Y146-I443 HydrophobicContact CD2-CD1 3.65Å; Y146-I443 HydrophobicContact CE1-CD1 3.18Å; Y146-I443 HydrophobicContact CE2-CD1 3.64Å; Y146-I443 HydrophobicContact CG-CD1 3.48Å; Y146-I443 VanDerWaalsContact CG-CD1 3.48Å; Y146-I443 VanDerWaalsContact CZ-CD1 3.4Å
147L91.1Very high83.2Confident58 Ų5863.1 Ų63.130%0.30434%0.337SS..EExtended strand (participates in β ladder)trans-108.9-57.1-167.1-59.9174.5000112.8E145 L160 K162 Y169 T427 I441E145-L147 HydrophobicContact CG-CD2 3.86Å; L147-L160 HydrophobicContact CB-CD2 4.38Å; L147-L160 HydrophobicContact CB-CG 4.21Å; L147-L160 WeakPolarHBondContact CB-O 3.47Å; L147-L160 HydrophobicContact CD1-CD2 4.48Å; L147-L160 HydrophobicContact CD1-CG 4.23Å; L147-L160 PolarHBondContact N-O 3.01Å; L147-K162 HydrophobicContact CD1-CB 3.85Å; L147-K162 HydrophobicContact CG-CB 4.5Å; L147-Y169 HydrophobicContact CD1-CD1 3.6Å; L147-Y169 HydrophobicContact CD1-CE1 3.4Å; L147-T427 HydrophobicContact CD1-CG2 4.33Å; L147-I441 WeakPolarHBondContact O-CD1 3.4Å
148K89.6Confident85Confident60 Ų6057.2 Ų57.226%0.26131%0.308SS..EExtended strand (participates in β ladder)trans-142.8139.3-176.5-133.4175.4-163.8-149.30112.3L150 I159 L160 T429 T437K148-L150 PolarHBondContact O-N 3.32Å; K148-I159 CarbonylContact O-C 3.53Å; K148-I159 WeakPolarHBondContact O-CA 3.25Å; K148-I159 WeakPolarHBondContact O-CG2 3.42Å; K148-L160 HydrophobicContact CB-CB 4.2Å; K148-L160 HydrophobicContact CB-CD2 4.4Å; K148-L160 PolarHBondContact N-O 3.48Å; K148-L160 PolarHBondContact O-N 3.11Å; K148-T429 HydrophobicContact CB-CG2 4.39Å; K148-T429 HydrophobicContact CD-CG2 3.52Å; K148-T429 WeakPolarHBondContact CD-OG1 3.08Å; K148-T429 WeakPolarHBondContact CE-OG1 3.31Å; K148-T429 PolarHBondContact NZ-OG1 3.42Å; K148-T437 HydrophobicContact CD-CG2 3.91Å; K148-T437 VanDerWaalsContact CE-CB 3.42Å; K148-T437 VanDerWaalsContact CE-O 3.23Å; K148-T437 WeakPolarHBondContact CE-O 3.34Å; K148-T437 HydrophobicContact CG-CG2 4.33Å; K148-T437 PolarHBondContact NZ-OG1 3.44Å; K148-T437 VanDerWaalsContact NZ-OG1 3.12Å
149L88.9Confident85.8Confident12 Ų1249.8 Ų49.86%0.06328%0.276CS..EExtended strand (participates in β ladder)trans-72.4121.5167.5-179.870.4000108.3G151 K157 I159 F436 T437 Q439L149-G151 WeakPolarHBondContact CD1-O 3.45Å; L149-K157 HydrophobicContact CD1-CB 3.85Å; L149-K157 HydrophobicContact CD1-CD 4.36Å; L149-I159 HydrophobicContact CD1-CG1 4.24Å; L149-F436 HydrophobicContact CD2-CB 4.3Å; L149-F436 HydrophobicContact CG-CB 4.28Å; L149-F436 CarbonylContact O-C 3.53Å; L149-T437 WeakPolarHBondContact O-CA 3.22Å; L149-T437 WeakPolarHBondContact O-CG2 3.34Å; L149-Q439 HydrophobicContact CD2-CB 4.05Å
150L85.1Confident86.2Confident16 Ų1648.5 Ų48.58%0.08427%0.268CS..EExtended strand (participates in β ladder)trans-93.5-34.1-179.8-62.1178000111.7K148 V158 L160 A171 Y223 T429 F432K148-L150 PolarHBondContact O-N 3.32Å; L150-V158 HydrophobicContact CB-CB 4.5Å; L150-V158 HydrophobicContact CB-CG1 4.31Å; L150-V158 HydrophobicContact CD1-CG1 4.29Å; L150-V158 PolarHBondContact N-O 3.02Å; L150-L160 HydrophobicContact CD1-CB 3.93Å; L150-L160 HydrophobicContact CD2-CB 3.93Å; L150-L160 HydrophobicContact CG-CB 3.9Å; L150-A171 HydrophobicContact CD1-CB 4.23Å; L150-Y223 HydrophobicContact CD1-CD2 3.88Å; L150-Y223 HydrophobicContact CD1-CE2 3.47Å; L150-Y223 VanDerWaalsContact CD1-CE2 3.47Å; L150-Y223 HydrophobicContact CD2-CE2 4.08Å; L150-Y223 HydrophobicContact CG-CE2 4.43Å; L150-T429 HydrophobicContact CD2-CG2 4.16Å; L150-F432 HydrophobicContact CB-CD1 4.05Å; L150-F432 HydrophobicContact CB-CE1 4.07Å; L150-F432 HydrophobicContact CD1-CE1 4.31Å; L150-F432 HydrophobicContact CD2-CD1 3.73Å; L150-F432 HydrophobicContact CD2-CD2 4.2Å; L150-F432 HydrophobicContact CD2-CE1 3.76Å; L150-F432 HydrophobicContact CD2-CE2 4.24Å; L150-F432 HydrophobicContact CD2-CG 3.95Å; L150-F432 HydrophobicContact CD2-CZ 4.03Å; L150-F432 HydrophobicContact CG-CD1 4.42Å; L150-F432 HydrophobicContact CG-CE1 4.26Å
151G81.5Confident86.4Confident16 Ų1645.6 Ų45.617%0.16525%0.25CS..EExtended strand (participates in β ladder)trans-169.2161.4179.300000112.6L149 K157 V158L149-G151 WeakPolarHBondContact CD1-O 3.45Å; G151-K157 WeakPolarHBondContact O-CA 3.17Å; G151-V158 PolarHBondContact N-O 3.33Å; G151-V158 PolarHBondContact O-N 2.72Å
152K75.9Confident86.6Confident148 Ų14847 Ų4764%0.64326%0.256SS*.EExtended strand (participates in β ladder)trans-133.9120.5178.4-172.8-179.7177.3-174.60109.3F436K152-F436 HydrophobicContact CB-CD1 4.44Å; K152-F436 HydrophobicContact CB-CE1 4.34Å
153G67.6Low86.7Confident51 Ų5143.5 Ų43.553%0.52623%0.232SC..  trans-109.8-17817800000112.2F155 G156G153-F155 VanDerWaalsContact C-N 3.28Å; G153-F155 PolarHBondContact O-N 2.69Å; G153-G156 PolarHBondContact N-O 2.87Å; G153-G156 VanDerWaalsContact O-O 3.1Å
154T67.1Low86.8Confident92 Ų9246.8 Ų46.856%0.56424%0.243SC*.SBendtrans-59.9-36.2179-50.90000113.2K183T154-K183 HydrophobicContact CG2-CD 4.07Å
155F71.9Confident86.7Confident61 Ų6151.2 Ų51.227%0.26828%0.28SS..SBendtrans-100.1-11.7-171.8-53.2-74.4000113.8G153 L175 K176 V179 K183 E185G153-F155 VanDerWaalsContact C-N 3.28Å; G153-F155 PolarHBondContact O-N 2.69Å; F155-L175 HydrophobicContact CB-CD2 4.07Å; F155-L175 WeakPolarHBondContact O-CA 3.42Å; F155-K176 PolarHBondContact O-N 3.05Å; F155-V179 HydrophobicContact CD1-CG1 4.08Å; F155-K183 HydrophobicContact CD1-CD 4Å; F155-K183 HydrophobicContact CE1-CB 3.8Å; F155-K183 HydrophobicContact CE1-CD 3.31Å; F155-K183 HydrophobicContact CE1-CG 4.15Å; F155-K183 HydrophobicContact CZ-CD 4.08Å; F155-E185 HydrophobicContact CE1-CB 4.16Å; F155-E185 HydrophobicContact CE1-CG 3.58Å; F155-E185 HydrophobicContact CZ-CB 4.5Å; F155-E185 HydrophobicContact CZ-CG 3.64Å
156G80.8Confident86.6Confident17 Ų1750.4 Ų50.418%0.17528%0.281CS..EExtended strand (participates in β ladder)trans173.5-162.2-166.500000114.8G153 I174G153-G156 PolarHBondContact N-O 2.87Å; G153-G156 VanDerWaalsContact O-O 3.1Å; G156-I174 WeakPolarHBondContact CA-O 3.48Å
157K86.1Confident86.5Confident48 Ų4848.8 Ų48.821%0.20928%0.283CS..EExtended strand (participates in β ladder)trans-137.7151.9-178.255.5-178.5175.1171.90110.8L149 G151 I159 I174 T442L149-K157 HydrophobicContact CD1-CB 3.85Å; L149-K157 HydrophobicContact CD1-CD 4.36Å; G151-K157 WeakPolarHBondContact O-CA 3.17Å; K157-I159 HydrophobicContact CD-CD1 3.9Å; K157-I159 HydrophobicContact CD-CG1 4.26Å; K157-I159 HydrophobicContact CG-CD1 4.26Å; K157-I159 HydrophobicContact CG-CG1 4.25Å; K157-I174 HydrophobicContact CG-CB 4.38Å; K157-I174 PolarHBondContact N-O 3Å; K157-I174 PolarHBondContact O-N 3.47Å; K157-T442 PolarHBondContact NZ-O 3.28Å
158V89.4Confident86.5Confident41 Ų4152.1 Ų52.125%0.24830%0.295CS..EExtended strand (participates in β ladder)trans-111.8124.2173.9-174.50000108.1L150 G151 A171 M172 K173L150-V158 HydrophobicContact CB-CB 4.5Å; L150-V158 HydrophobicContact CB-CG1 4.31Å; L150-V158 HydrophobicContact CD1-CG1 4.29Å; L150-V158 PolarHBondContact N-O 3.02Å; G151-V158 PolarHBondContact N-O 3.33Å; G151-V158 PolarHBondContact O-N 2.72Å; V158-A171 HydrophobicContact CG1-CB 4.06Å; V158-M172 WeakPolarHBondContact CA-O 3.43Å; V158-K173 HydrophobicContact CG2-CB 4.28Å; V158-K173 HydrophobicContact CG2-CG 4.16Å
159I91.6Very high86.7Confident0 Ų052 Ų520%029%0.293CS..EExtended strand (participates in β ladder)trans-122.1133.6-175.9-51.5-179.4000109.1Y146 K148 L149 K157 V161 M172 I174 I441 I443Y146-I159 HydrophobicContact CD1-CD1 4.17Å; Y146-I159 HydrophobicContact CD1-CG2 4.07Å; K148-I159 CarbonylContact O-C 3.53Å; K148-I159 WeakPolarHBondContact O-CA 3.25Å; K148-I159 WeakPolarHBondContact O-CG2 3.42Å; L149-I159 HydrophobicContact CD1-CG1 4.24Å; K157-I159 HydrophobicContact CD-CD1 3.9Å; K157-I159 HydrophobicContact CD-CG1 4.26Å; K157-I159 HydrophobicContact CG-CD1 4.26Å; K157-I159 HydrophobicContact CG-CG1 4.25Å; I159-V161 HydrophobicContact CB-CG1 4.39Å; I159-V161 HydrophobicContact CG2-CG1 4.23Å; I159-V161 PolarHBondContact O-N 3.28Å; I159-M172 PolarHBondContact N-O 3.09Å; I159-M172 PolarHBondContact O-N 3.03Å; I159-I174 HydrophobicContact CD1-CD1 3.71Å; I159-I174 HydrophobicContact CG1-CD1 4.34Å; I159-I441 HydrophobicContact CD1-CG2 4.02Å; I159-I441 HydrophobicContact CG2-CD1 3.89Å; I159-I443 HydrophobicContact CD1-CD1 4.27Å; I159-I443 HydrophobicContact CD1-CG1 4.39Å
160L93.6Very high87Confident2 Ų252.4 Ų52.41%0.0129%0.294CS..EExtended strand (participates in β ladder)trans-67.3119.6164.8177.459000108.6L147 K148 L150 Y169 Y223 T429L147-L160 HydrophobicContact CB-CD2 4.38Å; L147-L160 HydrophobicContact CB-CG 4.21Å; L147-L160 WeakPolarHBondContact CB-O 3.47Å; L147-L160 HydrophobicContact CD1-CD2 4.48Å; L147-L160 HydrophobicContact CD1-CG 4.23Å; L147-L160 PolarHBondContact N-O 3.01Å; K148-L160 HydrophobicContact CB-CB 4.2Å; K148-L160 HydrophobicContact CB-CD2 4.4Å; K148-L160 PolarHBondContact N-O 3.48Å; K148-L160 PolarHBondContact O-N 3.11Å; L150-L160 HydrophobicContact CD1-CB 3.93Å; L150-L160 HydrophobicContact CD2-CB 3.93Å; L150-L160 HydrophobicContact CG-CB 3.9Å; L160-Y169 HydrophobicContact CD1-CD1 4.38Å; L160-Y223 HydrophobicContact CD1-CD1 3.55Å; L160-Y223 HydrophobicContact CD1-CD2 4.14Å; L160-Y223 HydrophobicContact CD1-CE1 3.53Å; L160-Y223 HydrophobicContact CD1-CE2 4.16Å; L160-Y223 HydrophobicContact CD1-CG 3.86Å; L160-Y223 HydrophobicContact CD2-CE1 4.2Å; L160-Y223 HydrophobicContact CG-CE1 4.49Å; L160-T429 HydrophobicContact CD2-CG2 4.06Å
161V95Very high87.3Confident0 Ų052.1 Ų52.10%029%0.294CS..EExtended strand (participates in β ladder)trans-122.5154179.4-62.10000111F144 E145 Y146 I159 Y169 Y170 M172F144-V161 HydrophobicContact CB-CB 4.11Å; F144-V161 HydrophobicContact CB-CG1 4.44Å; F144-V161 HydrophobicContact CD1-CB 4.23Å; F144-V161 HydrophobicContact CD1-CG2 3.8Å; F144-V161 HydrophobicContact CE1-CG2 4.46Å; F144-V161 HydrophobicContact CG-CB 4.49Å; F144-V161 HydrophobicContact CG-CG2 4.39Å; E145-V161 CarbonylContact O-C 3.39Å; E145-V161 WeakPolarHBondContact O-CA 3.4Å; Y146-V161 HydrophobicContact CD1-CG1 3.57Å; Y146-V161 HydrophobicContact CE1-CG1 3.92Å; Y146-V161 HydrophobicContact CG-CG1 4.36Å; I159-V161 HydrophobicContact CB-CG1 4.39Å; I159-V161 HydrophobicContact CG2-CG1 4.23Å; I159-V161 PolarHBondContact O-N 3.28Å; V161-Y169 CarbonylContact O-C 3.1Å; V161-Y169 WeakPolarHBondContact O-CA 3.16Å; V161-Y170 WeakPolarHBondContact CG2-O 3.34Å; V161-Y170 PolarHBondContact N-O 2.89Å; V161-Y170 PolarHBondContact O-N 3.39Å; V161-M172 HydrophobicContact CG1-CB 3.8Å; V161-M172 HydrophobicContact CG1-CE 4.23Å; V161-M172 HydrophobicContact CG1-SD 4.38Å; V161-M172 HydrophobicContact CG2-CB 3.91Å; V161-M172 HydrophobicContact CG2-CE 4.26Å
162K95.1Very high87.9Confident60 Ų6051.3 Ų51.326%0.26129%0.286SS..EExtended strand (participates in β ladder)trans-115.2124.1169.4178.5-179.3-177.2179.90109.3F144 E145 L147 K164 G167 K168 Y169F144-K162 CarbonylContact C-O 3.58Å; F144-K162 WeakPolarHBondContact CA-O 3.5Å; E145-K162 HydrophobicContact CB-CB 4.32Å; E145-K162 PolarHBondContact N-O 2.89Å; E145-K162 PolarHBondContact O-N 3.01Å; L147-K162 HydrophobicContact CD1-CB 3.85Å; L147-K162 HydrophobicContact CG-CB 4.5Å; K162-K164 PolarHBondContact O-N 2.97Å; K162-G167 VanDerWaalsContact CE-CA 3.46Å; K162-G167 WeakPolarHBondContact CE-O 3.35Å; K162-K168 WeakPolarHBondContact CA-O 3.1Å; K162-Y169 HydrophobicContact CB-CD1 3.99Å; K162-Y169 HydrophobicContact CB-CE1 3.94Å; K162-Y169 HydrophobicContact CD-CE1 3.93Å; K162-Y169 HydrophobicContact CG-CD1 4.41Å; K162-Y169 HydrophobicContact CG-CE1 4.12Å
163E95.3Very high88.6Confident14 Ų1445.7 Ų45.77%0.06526%0.261CS..EExtended strand (participates in β ladder)trans-69.1119.3173.7177.4175.9-142.300109.2F144 A165 T166 G167 K168 Y170 Y209F144-E163 HydrophobicContact CD1-CB 4.17Å; F144-E163 HydrophobicContact CE1-CB 3.98Å; F144-E163 HydrophobicContact CE1-CG 4.34Å; E163-A165 VanDerWaalsContact C-N 3.28Å; E163-A165 HydrophobicContact CG-CB 4.49Å; E163-A165 PolarHBondContact O-N 3.19Å; E163-T166 HydrophobicContact CG-CG2 4.31Å; E163-T166 PolarHBondContact O-N 2.77Å; E163-T166 WeakPolarHBondContact OE2-CB 3.47Å; E163-T166 VanDerWaalsContact OE2-CG2 3.26Å; E163-T166 WeakPolarHBondContact OE2-CG2 3.34Å; E163-T166 PolarHBondContact OE2-OG1 3.39Å; E163-G167 VanDerWaalsContact O-CA 3.29Å; E163-G167 WeakPolarHBondContact O-CA 3.41Å; E163-G167 PolarHBondContact O-N 3.4Å; E163-K168 PolarHBondContact N-O 3.22Å; E163-Y170 HydrophobicContact CB-CD2 4.16Å; E163-Y170 HydrophobicContact CB-CE2 3.73Å; E163-Y170 WeakPolarHBondContact OE2-CE2 3.29Å; E163-Y170 PolarHBondContact OE2-OH 3.39Å; E163-Y209 WeakPolarHBondContact OE1-CE2 3.32Å; E163-Y209 VanDerWaalsContact OE1-CZ 3.31Å; E163-Y209 PolarHBondContact OE1-OH 2.74Å
164K93.9Very high89.7Confident133 Ų13343.5 Ų43.558%0.57824%0.238SC*.THydrogen-bonded Turntrans-62.5-36.3-172.9-69.4175.1-179.5172.40112.6P142 D143 K162P142-K164 WeakPolarHBondContact O-CE 3.49Å; P142-K164 PolarHBondContact O-NZ 3.33Å; D143-K164 WeakPolarHBondContact O-CB 3.25Å; D143-K164 WeakPolarHBondContact O-CG 3.29Å; D143-K164 PolarHBondContact O-N 2.81Å; K162-K164 PolarHBondContact O-N 2.97Å
165A92.4Very high90.5Very high96 Ų9639.6 Ų39.679%0.79321%0.213SC*.THydrogen-bonded Turntrans-70.3-37.3-176.600000113.3E163E163-A165 VanDerWaalsContact C-N 3.28Å; E163-A165 HydrophobicContact CG-CB 4.49Å; E163-A165 PolarHBondContact O-N 3.19Å
166T92.6Very high91.1Very high75 Ų7541.4 Ų41.446%0.4622%0.221SC..THydrogen-bonded Turntrans-109.4-18-172.867.30000113.2E163 K168E163-T166 HydrophobicContact CG-CG2 4.31Å; E163-T166 PolarHBondContact O-N 2.77Å; E163-T166 WeakPolarHBondContact OE2-CB 3.47Å; E163-T166 VanDerWaalsContact OE2-CG2 3.26Å; E163-T166 WeakPolarHBondContact OE2-CG2 3.34Å; E163-T166 PolarHBondContact OE2-OG1 3.39Å; T166-K168 PolarHBondContact O-N 3.36Å; T166-K168 WeakPolarHBondContact OG1-CB 2.87Å; T166-K168 PolarHBondContact OG1-N 3.2Å
167G91.6Very high91.1Very high25 Ų2540.9 Ų40.926%0.25821%0.214SC..  trans723-171.300000114.7K162 E163K162-G167 VanDerWaalsContact CE-CA 3.46Å; K162-G167 WeakPolarHBondContact CE-O 3.35Å; E163-G167 VanDerWaalsContact O-CA 3.29Å; E163-G167 WeakPolarHBondContact O-CA 3.41Å; E163-G167 PolarHBondContact O-N 3.4Å
168K92.6Very high90.8Very high128 Ų12842.5 Ų42.556%0.55722%0.222SC*.  trans-75.9147.5-179.1-67.7-173.9176.6-174.70112K162 E163 T166 Y170K162-K168 WeakPolarHBondContact CA-O 3.1Å; E163-K168 PolarHBondContact N-O 3.22Å; T166-K168 PolarHBondContact O-N 3.36Å; T166-K168 WeakPolarHBondContact OG1-CB 2.87Å; T166-K168 PolarHBondContact OG1-N 3.2Å; K168-Y170 HydrophobicContact CB-CE2 3.72Å
169Y93.1Very high90Very high57 Ų5742.5 Ų42.522%0.22422%0.222CC..EExtended strand (participates in β ladder)trans-96.6141.4-179.8-60.7-88.9000111.9L147 L160 V161 K162 E426 T427L147-Y169 HydrophobicContact CD1-CD1 3.6Å; L147-Y169 HydrophobicContact CD1-CE1 3.4Å; L160-Y169 HydrophobicContact CD1-CD1 4.38Å; V161-Y169 CarbonylContact O-C 3.1Å; V161-Y169 WeakPolarHBondContact O-CA 3.16Å; K162-Y169 HydrophobicContact CB-CD1 3.99Å; K162-Y169 HydrophobicContact CB-CE1 3.94Å; K162-Y169 HydrophobicContact CD-CE1 3.93Å; K162-Y169 HydrophobicContact CG-CD1 4.41Å; K162-Y169 HydrophobicContact CG-CE1 4.12Å; Y169-E426 HydrophobicContact CD2-CB 3.6Å; Y169-E426 WeakPolarHBondContact CD2-OE2 3.33Å; Y169-E426 HydrophobicContact CE2-CB 3.88Å; Y169-E426 WeakPolarHBondContact CE2-OE2 3.43Å; Y169-E426 HydrophobicContact CG-CB 4.31Å; Y169-T427 HydrophobicContact CD1-CG2 3.81Å; Y169-T427 HydrophobicContact CE1-CG2 3.11Å; Y169-T427 HydrophobicContact CE2-CG2 4.3Å; Y169-T427 VanDerWaalsContact CZ-CG2 3.4Å
170Y94.2Very high89.2Confident20 Ų2042.5 Ų42.58%0.07822%0.222CC..EExtended strand (participates in β ladder)trans-143.1160.1-178.7-58.8-81.3000111.1F144 V161 E163 K168 K208 V220 M221F144-Y170 HydrophobicContact CE1-CD2 4.49Å; V161-Y170 WeakPolarHBondContact CG2-O 3.34Å; V161-Y170 PolarHBondContact N-O 2.89Å; V161-Y170 PolarHBondContact O-N 3.39Å; E163-Y170 HydrophobicContact CB-CD2 4.16Å; E163-Y170 HydrophobicContact CB-CE2 3.73Å; E163-Y170 WeakPolarHBondContact OE2-CE2 3.29Å; E163-Y170 PolarHBondContact OE2-OH 3.39Å; K168-Y170 HydrophobicContact CB-CE2 3.72Å; Y170-K208 HydrophobicContact CD1-CB 4.24Å; Y170-K208 HydrophobicContact CD1-CG 4.49Å; Y170-K208 HydrophobicContact CE1-CB 3.92Å; Y170-K208 HydrophobicContact CE1-CD 4.39Å; Y170-K208 HydrophobicContact CE1-CG 3.78Å; Y170-V220 VanDerWaalsContact CB-CG1 3.47Å; Y170-V220 HydrophobicContact CD1-CG1 4.11Å; Y170-V220 HydrophobicContact CD2-CG1 4.11Å; Y170-V220 HydrophobicContact CG-CG1 3.64Å; Y170-M221 WeakPolarHBondContact CA-O 3.4Å; Y170-M221 WeakPolarHBondContact CB-O 3.31Å
171A92.9Very high88.1Confident10 Ų1044.7 Ų44.78%0.08324%0.235CC..EExtended strand (participates in β ladder)trans-95.2119.8165.800000109.2L150 V158 M221 Y223L150-A171 HydrophobicContact CD1-CB 4.23Å; V158-A171 HydrophobicContact CG1-CB 4.06Å; A171-M221 PolarHBondContact N-O 3.47Å; A171-M221 PolarHBondContact O-N 3.37Å; A171-Y223 HydrophobicContact CB-CD2 4.28Å
172M93.8Very high86.8Confident0 Ų048.9 Ų48.90%027%0.27CS..EExtended strand (participates in β ladder)trans-101.8108.4176.1-171.4-174.4-75.400110.6M141 F144 Y146 V158 I159 V161 I174 F211 F219 V220M141-M172 HydrophobicContact CE-SD 4.18Å; M141-M172 HydrophobicContact SD-CE 4.44Å; M141-M172 HydrophobicContact SD-SD 3.79Å; F144-M172 HydrophobicContact CB-CE 3.98Å; F144-M172 HydrophobicContact CD1-CE 4.06Å; F144-M172 HydrophobicContact CD2-CE 3.34Å; F144-M172 HydrophobicContact CE1-CE 4.43Å; F144-M172 HydrophobicContact CE2-CE 3.76Å; F144-M172 HydrophobicContact CG-CE 3.5Å; F144-M172 HydrophobicContact CZ-CE 4.3Å; Y146-M172 HydrophobicContact CE1-CE 4.46Å; Y146-M172 HydrophobicContact CE1-SD 3.89Å; V158-M172 WeakPolarHBondContact CA-O 3.43Å; I159-M172 PolarHBondContact N-O 3.09Å; I159-M172 PolarHBondContact O-N 3.03Å; V161-M172 HydrophobicContact CG1-CB 3.8Å; V161-M172 HydrophobicContact CG1-CE 4.23Å; V161-M172 HydrophobicContact CG1-SD 4.38Å; V161-M172 HydrophobicContact CG2-CB 3.91Å; V161-M172 HydrophobicContact CG2-CE 4.26Å; M172-I174 HydrophobicContact CG-CD1 4.32Å; M172-I174 HydrophobicContact CG-CG1 3.8Å; M172-I174 HydrophobicContact SD-CD1 3.89Å; M172-I174 HydrophobicContact SD-CG1 3.86Å; M172-F211 HydrophobicContact CE-CE1 4.4Å; M172-F211 HydrophobicContact CE-CZ 4.12Å; M172-F219 CarbonylContact C-O 3.6Å; M172-F219 VanDerWaalsContact CA-O 3.26Å; M172-F219 WeakPolarHBondContact CA-O 3.41Å; M172-V220 HydrophobicContact CE-CG2 3.8Å; M172-V220 HydrophobicContact CG-CG2 4.21Å
173K90.3Very high85.4Confident30 Ų3051.2 Ų51.213%0.1328%0.28CS..EExtended strand (participates in β ladder)trans-83.2115.3171-170.5-177.2-163.4-177.90108.2V158 L175 E192 C218 F219 M221 D286V158-K173 HydrophobicContact CG2-CB 4.28Å; V158-K173 HydrophobicContact CG2-CG 4.16Å; K173-L175 HydrophobicContact CD-CD2 4.32Å; K173-L175 HydrophobicContact CG-CD2 3.88Å; K173-L175 HydrophobicContact CG-CG 4.32Å; K173-E192 IonicContact NZ-OE1 3.23Å; K173-E192 PolarHBondContact NZ-OE1 2.98Å; K173-E192 IonicContact NZ-OE2 2.77Å; K173-E192 PolarHBondContact NZ-OE2 2.9Å; K173-C218 WeakPolarHBondContact O-CA 3.39Å; K173-F219 HydrophobicContact CB-CB 4.23Å; K173-F219 HydrophobicContact CB-CD2 4.41Å; K173-F219 HydrophobicContact CD-CD2 4.42Å; K173-F219 PolarHBondContact N-O 3.12Å; K173-F219 PolarHBondContact O-N 3.19Å; K173-M221 HydrophobicContact CB-CE 3.77Å; K173-M221 HydrophobicContact CD-CE 4.46Å; K173-D286 IonicContact NZ-OD1 3.4Å; K173-D286 PolarHBondContact NZ-OD1 3.1Å
174I89.6Confident84.2Confident5 Ų554.2 Ų54.23%0.02630%0.297CS..EExtended strand (participates in β ladder)trans-112.8110.8-178-56.5168.7000108.4M141 Y146 G156 K157 I159 M172 R216 L217M141-I174 HydrophobicContact CE-CD1 3.79Å; M141-I174 HydrophobicContact CE-CG1 4.42Å; Y146-I174 HydrophobicContact CE1-CD1 4.37Å; G156-I174 WeakPolarHBondContact CA-O 3.48Å; K157-I174 HydrophobicContact CG-CB 4.38Å; K157-I174 PolarHBondContact N-O 3Å; K157-I174 PolarHBondContact O-N 3.47Å; I159-I174 HydrophobicContact CD1-CD1 3.71Å; I159-I174 HydrophobicContact CG1-CD1 4.34Å; M172-I174 HydrophobicContact CG-CD1 4.32Å; M172-I174 HydrophobicContact CG-CG1 3.8Å; M172-I174 HydrophobicContact SD-CD1 3.89Å; M172-I174 HydrophobicContact SD-CG1 3.86Å; I174-R216 HydrophobicContact CG2-CB 4.17Å; I174-R216 HydrophobicContact CG2-CG 3.98Å; I174-L217 WeakPolarHBondContact CA-O 3.28Å
175L85.9Confident83.2Confident9 Ų950.2 Ų50.25%0.04728%0.28CS..EExtended strand (participates in β ladder)trans-106.4145.1-178.4-51.8-178.1000111.3F155 K173 I180 T189 R216 L217 F219F155-L175 HydrophobicContact CB-CD2 4.07Å; F155-L175 WeakPolarHBondContact O-CA 3.42Å; K173-L175 HydrophobicContact CD-CD2 4.32Å; K173-L175 HydrophobicContact CG-CD2 3.88Å; K173-L175 HydrophobicContact CG-CG 4.32Å; L175-I180 HydrophobicContact CB-CD1 3.66Å; L175-I180 HydrophobicContact CB-CG1 4.4Å; L175-I180 HydrophobicContact CD1-CD1 4.13Å; L175-T189 HydrophobicContact CD1-CG2 4Å; L175-R216 CarbonylContact O-C 3.55Å; L175-R216 WeakPolarHBondContact O-CA 3.4Å; L175-R216 VanDerWaalsContact O-CD 3.31Å; L175-R216 WeakPolarHBondContact O-CD 3.42Å; L175-L217 HydrophobicContact CB-CB 4.44Å; L175-L217 PolarHBondContact N-O 2.93Å; L175-L217 PolarHBondContact O-N 3.23Å; L175-F219 HydrophobicContact CD1-CD2 4.49Å; L175-F219 HydrophobicContact CD1-CE2 3.81Å; L175-F219 HydrophobicContact CG-CE2 4.45Å
176K82.7Confident82.3Confident100 Ų10047.8 Ų47.844%0.43526%0.255SS..EExtended strand (participates in β ladder)trans-88.2121.5176.2-61.1-170.6175.8-179.60110.8F155 E178 V179 I180F155-K176 PolarHBondContact O-N 3.05Å; K176-E178 VanDerWaalsContact C-N 3.33Å; K176-E178 PolarHBondContact O-N 3.28Å; K176-V179 HydrophobicContact CB-CB 4.07Å; K176-V179 HydrophobicContact CB-CG2 3.74Å; K176-V179 HydrophobicContact CD-CG2 3.98Å; K176-V179 HydrophobicContact CG-CG2 4.43Å; K176-V179 PolarHBondContact O-N 2.95Å; K176-V179 VanDerWaalsContact O-N 3.11Å; K176-I180 WeakPolarHBondContact O-CG1 3.37Å; K176-I180 PolarHBondContact O-N 3.3Å
177K82.1Confident81.3Confident6 Ų647.2 Ų47.23%0.02626%0.258CS..Hα-helixtrans-55.5-46.8179.9-72.2-175.6174.2-172.20112.4V179 I180 V181 T213 D215 L217 P461 F463K177-V179 VanDerWaalsContact C-N 3.26Å; K177-V179 PolarHBondContact O-N 3.41Å; K177-I180 PolarHBondContact O-N 3.19Å; K177-V181 WeakPolarHBondContact O-CG2 3.47Å; K177-V181 PolarHBondContact O-N 2.86Å; K177-T213 VanDerWaalsContact CE-O 3.29Å; K177-T213 WeakPolarHBondContact CE-O 3.46Å; K177-T213 PolarHBondContact NZ-O 3.37Å; K177-T213 VanDerWaalsContact NZ-O 3.12Å; K177-D215 PolarHBondContact N-O 2.76Å; K177-D215 VanDerWaalsContact N-O 3.11Å; K177-L217 HydrophobicContact CG-CD2 4.39Å; K177-L217 HydrophobicContact CG-CG 4.1Å; K177-P461 WeakPolarHBondContact CE-O 3.4Å; K177-P461 PolarHBondContact NZ-O 3.15Å; K177-F463 HydrophobicContact CB-CE2 4.35Å; K177-F463 HydrophobicContact CD-CD2 4.2Å; K177-F463 HydrophobicContact CD-CE2 4.08Å; K177-F463 HydrophobicContact CG-CD2 4.35Å; K177-F463 HydrophobicContact CG-CE2 3.9Å
178E78.6Confident80.1Confident81 Ų8148.1 Ų48.138%0.37926%0.255SS..Hα-helixtrans-58.7-37.2179.5-64.4175.7-179.100112.7K176 A182 R459 R460K176-E178 VanDerWaalsContact C-N 3.33Å; K176-E178 PolarHBondContact O-N 3.28Å; E178-A182 WeakPolarHBondContact O-CB 3.45Å; E178-A182 PolarHBondContact O-N 2.9Å; E178-R459 WeakPolarHBondContact CA-O 3.29Å; E178-R459 WeakPolarHBondContact CG-O 3.33Å; E178-R460 HydrophobicContact CG-CG 4.02Å; E178-R460 IonicContact OE1-CZ 2.94Å; E178-R460 VanDerWaalsContact OE1-CZ 3.23Å; E178-R460 IonicContact OE1-NE 2.91Å; E178-R460 PolarHBondContact OE1-NE 2.97Å; E178-R460 IonicContact OE1-NH2 3.09Å; E178-R460 PolarHBondContact OE1-NH2 2.76Å
179V74.3Confident79.2Confident41 Ų4142.4 Ų42.425%0.24823%0.231CC..Hα-helixtrans-76.2-36.9-179.9-1770000111F155 K176 K177 K183F155-V179 HydrophobicContact CD1-CG1 4.08Å; K176-V179 HydrophobicContact CB-CB 4.07Å; K176-V179 HydrophobicContact CB-CG2 3.74Å; K176-V179 HydrophobicContact CD-CG2 3.98Å; K176-V179 HydrophobicContact CG-CG2 4.43Å; K176-V179 PolarHBondContact O-N 2.95Å; K176-V179 VanDerWaalsContact O-N 3.11Å; K177-V179 VanDerWaalsContact C-N 3.26Å; K177-V179 PolarHBondContact O-N 3.41Å; V179-K183 HydrophobicContact CG1-CD 4.14Å; V179-K183 WeakPolarHBondContact O-CB 3.43Å; V179-K183 WeakPolarHBondContact O-CG 3.23Å; V179-K183 PolarHBondContact O-N 2.86Å; V179-K183 VanDerWaalsContact O-N 3.1Å
180I73.1Confident78.2Confident0 Ų041 Ų410%023%0.227CC..Hα-helixtrans-60.9-49.5174.9-67161.4000109.9L175 K176 K177 K183 D184 E185 V186 T189 L217 F463L175-I180 HydrophobicContact CB-CD1 3.66Å; L175-I180 HydrophobicContact CB-CG1 4.4Å; L175-I180 HydrophobicContact CD1-CD1 4.13Å; K176-I180 WeakPolarHBondContact O-CG1 3.37Å; K176-I180 PolarHBondContact O-N 3.3Å; K177-I180 PolarHBondContact O-N 3.19Å; I180-K183 PolarHBondContact O-N 2.92Å; I180-D184 PolarHBondContact O-N 2.85Å; I180-D184 VanDerWaalsContact O-N 3.16Å; I180-E185 HydrophobicContact CG2-CB 4.14Å; I180-E185 PolarHBondContact O-N 3.27Å; I180-V186 HydrophobicContact CG2-CB 4.49Å; I180-V186 HydrophobicContact CG2-CG2 3.93Å; I180-T189 HydrophobicContact CD1-CG2 4.21Å; I180-L217 HydrophobicContact CD1-CD1 3.73Å; I180-L217 HydrophobicContact CD1-CG 4.38Å; I180-F463 HydrophobicContact CG2-CZ 4.32Å
181V71.6Confident77Confident48 Ų4841 Ų4129%0.29123%0.23SC..Hα-helixtrans-64-47.5178.8175.70000110.7K177 K183 D184 V186 P461K177-V181 WeakPolarHBondContact O-CG2 3.47Å; K177-V181 PolarHBondContact O-N 2.86Å; V181-K183 PolarHBondContact O-N 2.93Å; V181-K183 VanDerWaalsContact O-N 3.13Å; V181-D184 PolarHBondContact O-N 2.8Å; V181-D184 VanDerWaalsContact O-N 3.12Å; V181-V186 HydrophobicContact CG2-CG2 4.12Å; V181-P461 HydrophobicContact CG2-CG 3.99Å
182A67.7Low76.3Confident88 Ų8840.8 Ų40.873%0.72723%0.227SC*.Hα-helixtrans-63.7-20.6-178.500000114.1E178E178-A182 WeakPolarHBondContact O-CB 3.45Å; E178-A182 PolarHBondContact O-N 2.9Å
183K65.6Low75.4Confident110 Ų11040.8 Ų40.848%0.47823%0.227SC..THydrogen-bonded Turntrans-105.84.9178.6-71-170.2165.1-128.60113.9T154 F155 V179 I180 V181 E185T154-K183 HydrophobicContact CG2-CD 4.07Å; F155-K183 HydrophobicContact CD1-CD 4Å; F155-K183 HydrophobicContact CE1-CB 3.8Å; F155-K183 HydrophobicContact CE1-CD 3.31Å; F155-K183 HydrophobicContact CE1-CG 4.15Å; F155-K183 HydrophobicContact CZ-CD 4.08Å; V179-K183 HydrophobicContact CG1-CD 4.14Å; V179-K183 WeakPolarHBondContact O-CB 3.43Å; V179-K183 WeakPolarHBondContact O-CG 3.23Å; V179-K183 PolarHBondContact O-N 2.86Å; V179-K183 VanDerWaalsContact O-N 3.1Å; I180-K183 PolarHBondContact O-N 2.92Å; V181-K183 PolarHBondContact O-N 2.93Å; V181-K183 VanDerWaalsContact O-N 3.13Å; K183-E185 VanDerWaalsContact C-N 3.33Å; K183-E185 HydrophobicContact CB-CG 4.08Å; K183-E185 PolarHBondContact O-N 3.11Å
184D70.6Confident74.8Confident77 Ų7743.1 Ų43.141%0.41224%0.235SC..THydrogen-bonded Turntrans60.836.3-179.4-158.831.4000114.7T83 I180 V181T83-D184 WeakPolarHBondContact CB-OD2 3.43Å; T83-D184 WeakPolarHBondContact CG2-OD2 3.47Å; T83-D184 PolarHBondContact OG1-OD1 3.41Å; T83-D184 PolarHBondContact OG1-OD2 3.23Å; I180-D184 PolarHBondContact O-N 2.85Å; I180-D184 VanDerWaalsContact O-N 3.16Å; V181-D184 PolarHBondContact O-N 2.8Å; V181-D184 VanDerWaalsContact O-N 3.12Å
185E72.4Confident74Confident49 Ų4943 Ų4323%0.22923%0.234CC..  trans-104.215.1-173.5-72.3-74.4156.600113F155 I180 K183 A187 H188 T189F155-E185 HydrophobicContact CE1-CB 4.16Å; F155-E185 HydrophobicContact CE1-CG 3.58Å; F155-E185 HydrophobicContact CZ-CB 4.5Å; F155-E185 HydrophobicContact CZ-CG 3.64Å; I180-E185 HydrophobicContact CG2-CB 4.14Å; I180-E185 PolarHBondContact O-N 3.27Å; K183-E185 VanDerWaalsContact C-N 3.33Å; K183-E185 HydrophobicContact CB-CG 4.08Å; K183-E185 PolarHBondContact O-N 3.11Å; E185-A187 PolarHBondContact O-N 2.78Å; E185-H188 VanDerWaalsContact CD-ND1 3.34Å; E185-H188 PolarHBondContact O-N 2.85Å; E185-H188 IonicContact OE1-CE1 3.05Å; E185-H188 IonicContact OE1-ND1 2.77Å; E185-H188 PolarHBondContact OE1-ND1 3.4Å; E185-H188 WeakPolarHBondContact OE2-CB 3.34Å; E185-H188 IonicContact OE2-CE1 2.76Å; E185-H188 IonicContact OE2-CG 2.8Å; E185-H188 IonicContact OE2-ND1 3.65Å; E185-H188 PolarHBondContact OE2-ND1 3.27Å; E185-T189 WeakPolarHBondContact O-CB 3.43Å; E185-T189 PolarHBondContact O-N 3.4Å; E185-T189 PolarHBondContact O-OG1 3.37Å
186V73.9Confident73.7Confident45 Ų4542.8 Ų42.827%0.27323%0.233SC..Hα-helixtrans-60.6-47-178.3169.90000110.7I180 V181 T189 L190 F463I180-V186 HydrophobicContact CG2-CB 4.49Å; I180-V186 HydrophobicContact CG2-CG2 3.93Å; V181-V186 HydrophobicContact CG2-CG2 4.12Å; V186-T189 PolarHBondContact O-N 2.98Å; V186-L190 HydrophobicContact CG1-CD1 4.02Å; V186-L190 WeakPolarHBondContact O-CG 3.4Å; V186-L190 PolarHBondContact O-N 3.23Å; V186-F463 HydrophobicContact CB-CE1 4.34Å; V186-F463 HydrophobicContact CG1-CE1 3.82Å; V186-F463 HydrophobicContact CG2-CE1 4.18Å; V186-F463 HydrophobicContact CG2-CZ 4.16Å
187A70.3Confident73.6Confident63 Ų6339.9 Ų39.952%0.52122%0.221SC..Hα-helixtrans-65.1-42-178.100000112.4E185 L190 T191E185-A187 PolarHBondContact O-N 2.78Å; A187-L190 PolarHBondContact O-N 3.32Å; A187-T191 WeakPolarHBondContact O-CB 3.37Å; A187-T191 PolarHBondContact O-N 2.84Å; A187-T191 PolarHBondContact O-OG1 3.34Å
188H68.1Low73.3Confident43 Ų4344.1 Ų44.120%0.19924%0.244CC..Hα-helixtrans-63-45.2175.9-67156.9000111.3E185 L190 T191 E192 G288E185-H188 VanDerWaalsContact CD-ND1 3.34Å; E185-H188 PolarHBondContact O-N 2.85Å; E185-H188 IonicContact OE1-CE1 3.05Å; E185-H188 IonicContact OE1-ND1 2.77Å; E185-H188 PolarHBondContact OE1-ND1 3.4Å; E185-H188 WeakPolarHBondContact OE2-CB 3.34Å; E185-H188 IonicContact OE2-CE1 2.76Å; E185-H188 IonicContact OE2-CG 2.8Å; E185-H188 IonicContact OE2-ND1 3.65Å; E185-H188 PolarHBondContact OE2-ND1 3.27Å; H188-L190 PolarHBondContact O-N 2.81Å; H188-T191 PolarHBondContact O-N 2.93Å; H188-E192 PolarHBondContact O-N 2.95Å; H188-G288 WeakPolarHBondContact CB-O 3.49Å
189T72.4Confident73.4Confident8 Ų841.1 Ų41.15%0.04923%0.232CC..Hα-helixtrans-63.4-39.7179-54.90000112.8L175 I180 E185 V186 N193 L217 F219 F466L175-T189 HydrophobicContact CD1-CG2 4Å; I180-T189 HydrophobicContact CD1-CG2 4.21Å; E185-T189 WeakPolarHBondContact O-CB 3.43Å; E185-T189 PolarHBondContact O-N 3.4Å; E185-T189 PolarHBondContact O-OG1 3.37Å; V186-T189 PolarHBondContact O-N 2.98Å; T189-N193 PolarHBondContact O-N 3.46Å; T189-L217 HydrophobicContact CG2-CD1 3.57Å; T189-F219 HydrophobicContact CG2-CE2 4.27Å; T189-F219 HydrophobicContact CG2-CZ 4.04Å; T189-F466 HydrophobicContact CG2-CZ 4.08Å
190L72.1Confident74.2Confident28 Ų2846.7 Ų46.715%0.14725%0.253CS..Hα-helixtrans-68.4-38175-73.3171.5000112.1V186 A187 H188 N193 R194 F463 P464 F466V186-L190 HydrophobicContact CG1-CD1 4.02Å; V186-L190 WeakPolarHBondContact O-CG 3.4Å; V186-L190 PolarHBondContact O-N 3.23Å; A187-L190 PolarHBondContact O-N 3.32Å; H188-L190 PolarHBondContact O-N 2.81Å; L190-N193 PolarHBondContact O-N 2.8Å; L190-R194 WeakPolarHBondContact O-CG 3.47Å; L190-R194 PolarHBondContact O-N 2.89Å; L190-F463 HydrophobicContact CD2-CD1 4.02Å; L190-F463 HydrophobicContact CG-CD1 4.23Å; L190-P464 HydrophobicContact CD2-CG 4.2Å; L190-F466 HydrophobicContact CD2-CE2 4.09Å
191T69.8Low75.2Confident20 Ų2047.3 Ų47.312%0.12326%0.256CS..Hα-helixtrans-66.3-44.9177.4-56.30000110.9A187 H188 N193 R194 V195 C290 E292A187-T191 WeakPolarHBondContact O-CB 3.37Å; A187-T191 PolarHBondContact O-N 2.84Å; A187-T191 PolarHBondContact O-OG1 3.34Å; H188-T191 PolarHBondContact O-N 2.93Å; T191-N193 VanDerWaalsContact C-N 3.3Å; T191-N193 PolarHBondContact O-N 3.3Å; T191-R194 PolarHBondContact O-N 2.9Å; T191-R194 PolarHBondContact OG1-NH2 3.02Å; T191-V195 HydrophobicContact CG2-CG2 4.14Å; T191-V195 WeakPolarHBondContact O-CG2 3.45Å; T191-V195 PolarHBondContact O-N 2.84Å; T191-C290 WeakPolarHBondContact CG2-O 3.26Å; T191-E292 HydrophobicContact CG2-CG 4.41Å
192E77.3Confident76.4Confident6 Ų646.3 Ų46.33%0.02825%0.25CS..Hα-helixtrans-53.6-48.7173.6-175.6171.9-164.100110.9K173 H188 R194 L196 F287K173-E192 IonicContact NZ-OE1 3.23Å; K173-E192 PolarHBondContact NZ-OE1 2.98Å; K173-E192 IonicContact NZ-OE2 2.77Å; K173-E192 PolarHBondContact NZ-OE2 2.9Å; H188-E192 PolarHBondContact O-N 2.95Å; E192-R194 PolarHBondContact O-N 3.45Å; E192-L196 HydrophobicContact CG-CD1 3.79Å; E192-L196 HydrophobicContact CG-CG 4.45Å; E192-L196 WeakPolarHBondContact O-CB 3.41Å; E192-L196 VanDerWaalsContact O-CG 3.3Å; E192-L196 WeakPolarHBondContact O-CG 3.3Å; E192-L196 PolarHBondContact O-N 3.08Å; E192-F287 HydrophobicContact CG-CB 4.17Å
193N75.2Confident77.8Confident0 Ų042.1 Ų42.10%022%0.216CC..Hα-helixtrans-58.9-47.2177.9-168.735.4000112.4T189 L190 T191 Q197 S210 F219 Q465 F466T189-N193 PolarHBondContact O-N 3.46Å; L190-N193 PolarHBondContact O-N 2.8Å; T191-N193 VanDerWaalsContact C-N 3.3Å; T191-N193 PolarHBondContact O-N 3.3Å; N193-Q197 VanDerWaalsContact CG-NE2 3.26Å; N193-Q197 PolarHBondContact ND2-NE2 3.23Å; N193-Q197 VanDerWaalsContact ND2-NE2 3.17Å; N193-Q197 WeakPolarHBondContact O-CB 3.24Å; N193-Q197 WeakPolarHBondContact O-CG 3.5Å; N193-Q197 PolarHBondContact O-N 3.17Å; N193-Q197 PolarHBondContact OD1-NE2 3.42Å; N193-S210 VanDerWaalsContact OD1-CB 3.3Å; N193-S210 WeakPolarHBondContact OD1-CB 3.49Å; N193-S210 PolarHBondContact OD1-OG 3.48Å; N193-F219 HydrophobicContact CB-CE1 3.66Å; N193-F219 HydrophobicContact CB-CZ 4.24Å; N193-Q465 PolarHBondContact ND2-O 2.76Å; N193-F466 HydrophobicContact CB-CE2 4.27Å; N193-F466 HydrophobicContact CB-CZ 4.02Å
194R77.5Confident79.2Confident78 Ų7837 Ų3729%0.29419%0.194SC..Hα-helixtrans-66.1-46.9-179.5-72.9-167.9-52.8-101.7-7112.7L190 T191 E192 L196 Q197 N198 E292L190-R194 WeakPolarHBondContact O-CG 3.47Å; L190-R194 PolarHBondContact O-N 2.89Å; T191-R194 PolarHBondContact O-N 2.9Å; T191-R194 PolarHBondContact OG1-NH2 3.02Å; E192-R194 PolarHBondContact O-N 3.45Å; R194-L196 VanDerWaalsContact C-N 3.32Å; R194-L196 PolarHBondContact O-N 3.05Å; R194-Q197 PolarHBondContact O-N 3.06Å; R194-N198 WeakPolarHBondContact O-CB 3.08Å; R194-N198 PolarHBondContact O-N 3.16Å; R194-N198 VanDerWaalsContact O-N 3.11Å; R194-N198 PolarHBondContact O-ND2 3.25Å; R194-N198 VanDerWaalsContact O-ND2 3.08Å; R194-E292 IonicContact CZ-OE2 2.78Å; R194-E292 IonicContact NE-OE2 3.34Å; R194-E292 PolarHBondContact NE-OE2 2.7Å; R194-E292 IonicContact NH2-OE2 3.83Å; R194-E292 PolarHBondContact NH2-OE2 2.74Å
195V73.4Confident80.2Confident2 Ų233.9 Ų33.91%0.01218%0.177CC..Hα-helixtrans-60.2-46.4179.6171.50000109.9T191 Q197 N198 S199 V264 F287 C290 E292T191-V195 HydrophobicContact CG2-CG2 4.14Å; T191-V195 WeakPolarHBondContact O-CG2 3.45Å; T191-V195 PolarHBondContact O-N 2.84Å; V195-Q197 PolarHBondContact O-N 3.38Å; V195-N198 PolarHBondContact O-N 2.87Å; V195-S199 WeakPolarHBondContact O-CB 3.38Å; V195-S199 PolarHBondContact O-N 2.79Å; V195-S199 PolarHBondContact O-OG 2.73Å; V195-V264 HydrophobicContact CG1-CG1 4.4Å; V195-V264 HydrophobicContact CG2-CG1 4.37Å; V195-V264 HydrophobicContact CG2-CG2 4.26Å; V195-F287 HydrophobicContact CG1-CB 4.3Å; V195-F287 HydrophobicContact CG1-CD1 3.94Å; V195-F287 HydrophobicContact CG1-CG 4.34Å; V195-C290 HydrophobicContact CG1-CB 4.45Å; V195-C290 HydrophobicContact CG2-CB 3.99Å; V195-E292 HydrophobicContact CG2-CG 3.76Å
196L80.1Confident81Confident5 Ų532.9 Ų32.93%0.02618%0.18CC..Hα-helixtrans-63.9-38178.2-82.1176000113.7E192 R194 N198 T205 L207 F219 M221 F287E192-L196 HydrophobicContact CG-CD1 3.79Å; E192-L196 HydrophobicContact CG-CG 4.45Å; E192-L196 WeakPolarHBondContact O-CB 3.41Å; E192-L196 VanDerWaalsContact O-CG 3.3Å; E192-L196 WeakPolarHBondContact O-CG 3.3Å; E192-L196 PolarHBondContact O-N 3.08Å; R194-L196 VanDerWaalsContact C-N 3.32Å; R194-L196 PolarHBondContact O-N 3.05Å; L196-N198 VanDerWaalsContact C-N 3.29Å; L196-N198 PolarHBondContact O-N 3.49Å; L196-T205 WeakPolarHBondContact CD2-O 3.36Å; L196-L207 HydrophobicContact CB-CB 3.8Å; L196-L207 HydrophobicContact CB-CD2 3.84Å; L196-L207 HydrophobicContact CB-CG 4.32Å; L196-L207 HydrophobicContact CD1-CD1 4.37Å; L196-L207 HydrophobicContact CD2-CB 4.39Å; L196-L207 HydrophobicContact CG-CB 4.5Å; L196-F219 HydrophobicContact CD1-CD1 4.34Å; L196-M221 HydrophobicContact CD1-SD 4.16Å; L196-F287 HydrophobicContact CD2-CD2 3.37Å; L196-F287 HydrophobicContact CD2-CE2 3.56Å; L196-F287 HydrophobicContact CD2-CG 4.22Å; L196-F287 HydrophobicContact CG-CB 4.49Å; L196-F287 HydrophobicContact CG-CD2 3.9Å; L196-F287 HydrophobicContact CG-CG 4.39Å
197Q78.9Confident81.7Confident39 Ų3931.3 Ų31.318%0.18217%0.17CC..Hα-helixtrans-67.5-31.6177.2-75.6179.926.100112.9N193 R194 V195 L207 S210 Q465 Y468N193-Q197 VanDerWaalsContact CG-NE2 3.26Å; N193-Q197 PolarHBondContact ND2-NE2 3.23Å; N193-Q197 VanDerWaalsContact ND2-NE2 3.17Å; N193-Q197 WeakPolarHBondContact O-CB 3.24Å; N193-Q197 WeakPolarHBondContact O-CG 3.5Å; N193-Q197 PolarHBondContact O-N 3.17Å; N193-Q197 PolarHBondContact OD1-NE2 3.42Å; R194-Q197 PolarHBondContact O-N 3.06Å; V195-Q197 PolarHBondContact O-N 3.38Å; Q197-L207 HydrophobicContact CG-CD2 3.68Å; Q197-S210 PolarHBondContact NE2-OG 2.97Å; Q197-Q465 PolarHBondContact NE2-O 2.85Å; Q197-Y468 HydrophobicContact CB-CD2 4.19Å; Q197-Y468 HydrophobicContact CB-CE2 4.02Å; Q197-Y468 HydrophobicContact CG-CD1 3.98Å; Q197-Y468 HydrophobicContact CG-CD2 3.55Å; Q197-Y468 HydrophobicContact CG-CE1 4.25Å; Q197-Y468 HydrophobicContact CG-CE2 3.83Å; Q197-Y468 HydrophobicContact CG-CG 3.62Å
198N76.3Confident82.7Confident96 Ų9630.6 Ų30.651%0.51316%0.155SC..Hα-helixtrans-101.4-4.2-172.1-66.7-39.1000113.6R194 V195 L196 K262R194-N198 WeakPolarHBondContact O-CB 3.08Å; R194-N198 PolarHBondContact O-N 3.16Å; R194-N198 VanDerWaalsContact O-N 3.11Å; R194-N198 PolarHBondContact O-ND2 3.25Å; R194-N198 VanDerWaalsContact O-ND2 3.08Å; V195-N198 PolarHBondContact O-N 2.87Å; L196-N198 VanDerWaalsContact C-N 3.29Å; L196-N198 PolarHBondContact O-N 3.49Å; N198-K262 WeakPolarHBondContact O-CE 3.38Å; N198-K262 PolarHBondContact O-NZ 2.86Å
199S81.7Confident83.7Confident17 Ų1729.4 Ų29.412%0.11915%0.149CC..  trans-107130.5-177.2-59.10000111.6V195V195-S199 WeakPolarHBondContact O-CB 3.38Å; V195-S199 PolarHBondContact O-N 2.79Å; V195-S199 PolarHBondContact O-OG 2.73Å
200K89.4Confident84.4Confident158 Ų15829 Ų2969%0.68715%0.146SC*.  trans-142.4103.1175.3-173.3178.7-179.8-177.80109.1Y257K200-Y257 PolarHBondContact N-OH 3.42Å; K200-Y257 VanDerWaalsContact O-CZ 3.32Å; K200-Y257 PolarHBondContact O-OH 3.27Å; K200-Y257 VanDerWaalsContact O-OH 3.11Å
201H95.1Very high85.2Confident13 Ų1328.4 Ų28.46%0.0614%0.143CC..  trans-145.5143-179.8-171.4-88.5000109F203 L204 S253 A254 Y257 Y411H201-F203 AromaticContact CE1-CD2 3.59Å; H201-F203 PolarHBondContact ND1-N 3.45Å; H201-F203 PolarHBondContact O-N 3.19Å; H201-F203 VanDerWaalsContact O-N 3.13Å; H201-L204 HydrophobicContact CB-CB 4.07Å; H201-L204 HydrophobicContact CB-CD1 3.73Å; H201-L204 HydrophobicContact CB-CG 3.74Å; H201-L204 PolarHBondContact O-N 2.89Å; H201-L204 VanDerWaalsContact O-N 3.12Å; H201-S253 PolarHBondContact CE1-OG 3.42Å; H201-S253 PolarHBondContact NE2-O 2.7Å; H201-S253 PolarHBondContact NE2-OG 3.01Å; H201-A254 VanDerWaalsContact CE1-CA 3.47Å; H201-A254 WeakPolarHBondContact CE1-CA 3.27Å; H201-Y257 HydrophobicContact CB-CD1 3.87Å; H201-Y257 HydrophobicContact CB-CD2 4.47Å; H201-Y257 HydrophobicContact CB-CE1 4.05Å; H201-Y257 HydrophobicContact CB-CG 4.09Å; H201-Y257 VanDerWaalsContact CD2-CB 3.43Å; H201-Y257 WeakPolarHBondContact CD2-CB 3.47Å; H201-Y257 AromaticContact CD2-CD2 3.75Å; H201-Y257 AromaticContact CD2-CG 3.51Å; H201-Y411 AromaticContact CD2-CD2 3.93Å; H201-Y411 AromaticContact CD2-CE2 3.56Å; H201-Y411 AromaticContact NE2-CD2 3.43Å; H201-Y411 WeakPolarHBondContact NE2-CD2 3.34Å; H201-Y411 AromaticContact NE2-CE2 3.59Å
202P96.8Very high85.9Confident27 Ų2729.2 Ų29.218%0.17515%0.145CC..THydrogen-bonded Turntrans-51.9-36.8-177.221-37.6000114K283 Y411 K413P202-K283 WeakPolarHBondContact O-CE 3.46Å; P202-K283 PolarHBondContact O-NZ 3.23Å; P202-Y411 HydrophobicContact CG-CD2 4.18Å; P202-Y411 HydrophobicContact CG-CE2 4.35Å; P202-Y411 WeakPolarHBondContact CG-O 3.41Å; P202-K413 HydrophobicContact CB-CD 4.01Å; P202-K413 HydrophobicContact CB-CG 3.98Å
203F97.7Very high86.3Confident0 Ų030.1 Ų30.10%015%0.151CC..THydrogen-bonded Turntrans-1026.4-176-48-53.9000114.5H201 E250 A254 H281 I282 K283 I284 V410 K413H201-F203 AromaticContact CE1-CD2 3.59Å; H201-F203 PolarHBondContact ND1-N 3.45Å; H201-F203 PolarHBondContact O-N 3.19Å; H201-F203 VanDerWaalsContact O-N 3.13Å; F203-E250 HydrophobicContact CD1-CB 4.15Å; F203-E250 HydrophobicContact CD1-CG 4.27Å; F203-E250 HydrophobicContact CD2-CB 3.73Å; F203-E250 HydrophobicContact CD2-CG 4.21Å; F203-E250 WeakPolarHBondContact CD2-O 3.43Å; F203-E250 HydrophobicContact CE1-CB 4.19Å; F203-E250 VanDerWaalsContact CE1-CD 3.42Å; F203-E250 HydrophobicContact CE1-CG 3.82Å; F203-E250 WeakPolarHBondContact CE1-OE1 3.43Å; F203-E250 HydrophobicContact CE2-CB 3.84Å; F203-E250 HydrophobicContact CE2-CG 3.81Å; F203-E250 HydrophobicContact CG-CB 3.93Å; F203-E250 HydrophobicContact CG-CG 4.46Å; F203-E250 HydrophobicContact CZ-CB 4.05Å; F203-E250 HydrophobicContact CZ-CG 3.58Å; F203-E250 WeakPolarHBondContact CZ-OE1 3.28Å; F203-A254 HydrophobicContact CB-CB 4.17Å; F203-H281 HydrophobicContact CD1-CB 4.29Å; F203-H281 HydrophobicContact CE1-CB 4.01Å; F203-H281 AromaticContact CE1-ND1 3.97Å; F203-I282 VanDerWaalsContact CA-O 3.31Å; F203-I282 WeakPolarHBondContact CA-O 3.11Å; F203-I282 WeakPolarHBondContact CB-O 3.21Å; F203-I282 WeakPolarHBondContact CD1-O 3.37Å; F203-K283 CarbonylContact O-C 3.54Å; F203-K283 WeakPolarHBondContact O-CA 3.38Å; F203-I284 PolarHBondContact O-N 2.87Å; F203-V410 HydrophobicContact CE2-CG1 3.83Å; F203-V410 WeakPolarHBondContact CE2-O 3.4Å; F203-V410 HydrophobicContact CZ-CG1 4.33Å; F203-V410 WeakPolarHBondContact CZ-O 3.24Å; F203-K413 HydrophobicContact CE1-CD 4.28Å; F203-K413 HydrophobicContact CE1-CG 3.82Å; F203-K413 HydrophobicContact CZ-CG 3.97Å
204L93.8Very high86.8Confident4 Ų431.9 Ų31.92%0.02116%0.162CC..BIsolated β-bridgetrans-100.5143.2169.2-61.9-178.7000109H201 G206 A254 Y257 L258 I284 F287H201-L204 HydrophobicContact CB-CB 4.07Å; H201-L204 HydrophobicContact CB-CD1 3.73Å; H201-L204 HydrophobicContact CB-CG 3.74Å; H201-L204 PolarHBondContact O-N 2.89Å; H201-L204 VanDerWaalsContact O-N 3.12Å; L204-G206 PolarHBondContact O-N 2.94Å; L204-A254 HydrophobicContact CD2-CB 3.87Å; L204-A254 HydrophobicContact CG-CB 4.32Å; L204-Y257 HydrophobicContact CD1-CD1 3.84Å; L204-Y257 HydrophobicContact CD1-CE1 4.06Å; L204-L258 HydrophobicContact CD1-CD1 4.37Å; L204-L258 HydrophobicContact CD1-CD2 3.76Å; L204-L258 HydrophobicContact CD1-CG 3.97Å; L204-L258 HydrophobicContact CD2-CD1 4.24Å; L204-I284 HydrophobicContact CD2-CB 3.85Å; L204-I284 HydrophobicContact CD2-CD1 3.97Å; L204-I284 HydrophobicContact CD2-CG1 4.2Å; L204-I284 HydrophobicContact CD2-CG2 4.44Å; L204-F287 HydrophobicContact CB-CZ 4.07Å; L204-F287 HydrophobicContact CD2-CE1 3.97Å; L204-F287 HydrophobicContact CD2-CZ 3.94Å; L204-F287 HydrophobicContact CG-CZ 4.43Å
205T91.6Very high87Confident11 Ų1129.2 Ų29.27%0.06715%0.154CC..PPolyproline II helixtrans-67.2120.8176.1-58.10000110.2L196 M221 E222 I284 T285L196-T205 WeakPolarHBondContact CD2-O 3.36Å; T205-M221 HydrophobicContact CG2-CB 3.94Å; T205-E222 HydrophobicContact CG2-CB 4.27Å; T205-I284 WeakPolarHBondContact CB-O 3.33Å; T205-I284 PolarHBondContact N-O 3.05Å; T205-I284 PolarHBondContact OG1-O 2.79Å; T205-T285 WeakPolarHBondContact OG1-CG2 3.2Å
206G89.1Confident87.7Confident27 Ų2730.9 Ų30.928%0.27816%0.16SC..PPolyproline II helixtrans-77.4137.8179.900000113.1L204 M221 E222L204-G206 PolarHBondContact O-N 2.94Å; G206-M221 CarbonylContact O-C 3.5Å; G206-M221 WeakPolarHBondContact O-CA 3.18Å; G206-E222 PolarHBondContact O-N 2.68Å
207L89.6Confident88Confident12 Ų1230.7 Ų30.76%0.06316%0.159CC..EExtended strand (participates in β ladder)trans-88125.2169.3179.873.8000110.6L196 Q197 Y209 F219 M221 Y468L196-L207 HydrophobicContact CB-CB 3.8Å; L196-L207 HydrophobicContact CB-CD2 3.84Å; L196-L207 HydrophobicContact CB-CG 4.32Å; L196-L207 HydrophobicContact CD1-CD1 4.37Å; L196-L207 HydrophobicContact CD2-CB 4.39Å; L196-L207 HydrophobicContact CG-CB 4.5Å; Q197-L207 HydrophobicContact CG-CD2 3.68Å; L207-Y209 VanDerWaalsContact CD1-O 3.29Å; L207-Y209 WeakPolarHBondContact CD1-O 3.3Å; L207-F219 HydrophobicContact CD1-CB 4.04Å; L207-F219 HydrophobicContact CD1-CD1 4.12Å; L207-M221 HydrophobicContact CD1-CG 3.98Å; L207-Y468 HydrophobicContact CD2-CD1 3.89Å; L207-Y468 HydrophobicContact CD2-CE1 4.17Å; L207-Y468 HydrophobicContact CG-CD1 4.25Å; L207-Y468 HydrophobicContact CG-CE1 4.33Å
208K89.9Confident88.4Confident49 Ų4928.8 Ų28.821%0.21315%0.15CC..EExtended strand (participates in β ladder)trans-92.7-49.8176.7-175.964.7-177.8164.60111.8Y170 V220 A470Y170-K208 HydrophobicContact CD1-CB 4.24Å; Y170-K208 HydrophobicContact CD1-CG 4.49Å; Y170-K208 HydrophobicContact CE1-CB 3.92Å; Y170-K208 HydrophobicContact CE1-CD 4.39Å; Y170-K208 HydrophobicContact CE1-CG 3.78Å; K208-V220 WeakPolarHBondContact CA-O 3.44Å; K208-V220 WeakPolarHBondContact CB-O 3.37Å; K208-V220 PolarHBondContact N-O 3.43Å; K208-A470 HydrophobicContact CD-CB 4.32Å; K208-A470 PolarHBondContact NZ-O 3.43Å; K208-A470 WeakPolarHBondContact O-CB 3.45Å; K208-A470 PolarHBondContact O-N 2.89Å
209Y89Confident89.1Confident17 Ų1724.2 Ų24.27%0.06713%0.126CC..EExtended strand (participates in β ladder)trans-138.6144.7-179.9-48.8-65.2000110.5V139 F144 E163 L207 V220 Y468 S469V139-Y209 HydrophobicContact CG1-CD2 4.21Å; V139-Y209 HydrophobicContact CG1-CG 4.23Å; V139-Y209 HydrophobicContact CG2-CD1 4.02Å; V139-Y209 HydrophobicContact CG2-CE1 3.99Å; V139-Y209 HydrophobicContact CG2-CG 4.43Å; F144-Y209 HydrophobicContact CE1-CD2 4.35Å; F144-Y209 HydrophobicContact CE1-CE2 4.34Å; F144-Y209 AromaticContact CZ-CD2 3.75Å; F144-Y209 HydrophobicContact CZ-CD2 3.75Å; F144-Y209 AromaticContact CZ-CE2 3.99Å; F144-Y209 HydrophobicContact CZ-CE2 3.99Å; E163-Y209 WeakPolarHBondContact OE1-CE2 3.32Å; E163-Y209 VanDerWaalsContact OE1-CZ 3.31Å; E163-Y209 PolarHBondContact OE1-OH 2.74Å; L207-Y209 VanDerWaalsContact CD1-O 3.29Å; L207-Y209 WeakPolarHBondContact CD1-O 3.3Å; Y209-V220 HydrophobicContact CD2-CB 3.86Å; Y209-V220 HydrophobicContact CD2-CG1 3.88Å; Y209-V220 HydrophobicContact CD2-CG2 4.17Å; Y209-V220 HydrophobicContact CG-CB 4.37Å; Y209-V220 PolarHBondContact N-O 3.07Å; Y209-V220 VanDerWaalsContact N-O 3.15Å; Y209-V220 PolarHBondContact O-N 3.23Å; Y209-Y468 WeakPolarHBondContact CA-O 3.25Å; Y209-S469 WeakPolarHBondContact CE1-OG 3.36Å
210S87.8Confident89.6Confident0 Ų023.4 Ų23.40%012%0.12CC..EExtended strand (participates in β ladder)trans-131.8129.3159.772.90000110.6N193 Q197 C218 F466 S467 Y468N193-S210 VanDerWaalsContact OD1-CB 3.3Å; N193-S210 WeakPolarHBondContact OD1-CB 3.49Å; N193-S210 PolarHBondContact OD1-OG 3.48Å; Q197-S210 PolarHBondContact NE2-OG 2.97Å; S210-C218 WeakPolarHBondContact CA-O 3.43Å; S210-F466 CarbonylContact O-C 3.59Å; S210-F466 VanDerWaalsContact O-C 3.31Å; S210-S467 CarbonylContact O-C 3.55Å; S210-S467 WeakPolarHBondContact O-CA 3.19Å; S210-S467 PolarHBondContact O-N 3.28Å; S210-Y468 PolarHBondContact N-O 2.71Å; S210-Y468 PolarHBondContact O-N 3.06Å; S210-Y468 WeakPolarHBondContact OG-CB 3.48Å
211F88.2Confident89.7Confident15 Ų1516.9 Ų16.97%0.0669%0.092CC..EExtended strand (participates in β ladder)trans-146.9169.7-177.965.3-92.4000110.4V139 M141 F144 M172 C218 V220 F466V139-F211 HydrophobicContact CG1-CD1 4.37Å; V139-F211 HydrophobicContact CG1-CE1 4.29Å; M141-F211 HydrophobicContact CG-CE2 3.82Å; M141-F211 HydrophobicContact CG-CZ 4.27Å; M141-F211 HydrophobicContact SD-CE2 3.66Å; M141-F211 HydrophobicContact SD-CZ 3.68Å; F144-F211 HydrophobicContact CE2-CE1 4.1Å; F144-F211 HydrophobicContact CE2-CZ 4.42Å; M172-F211 HydrophobicContact CE-CE1 4.4Å; M172-F211 HydrophobicContact CE-CZ 4.12Å; F211-C218 HydrophobicContact CD1-CB 4.19Å; F211-C218 HydrophobicContact CD2-CB 3.9Å; F211-C218 HydrophobicContact CE1-CB 3.85Å; F211-C218 HydrophobicContact CE2-CB 3.51Å; F211-C218 HydrophobicContact CG-CB 4.21Å; F211-C218 HydrophobicContact CZ-CB 3.49Å; F211-C218 VanDerWaalsContact CZ-CB 3.49Å; F211-C218 PolarHBondContact N-O 2.92Å; F211-C218 PolarHBondContact O-N 2.92Å; F211-V220 HydrophobicContact CE1-CG2 3.82Å; F211-F466 WeakPolarHBondContact CA-O 3.34Å
212Q86.1Confident89.6Confident37 Ų3720.4 Ų20.417%0.17311%0.109CC..EExtended strand (participates in β ladder)trans-132.7153-179.764.8-173.4-53.300111.8R216 L217 H462 F463 F466Q212-R216 WeakPolarHBondContact CA-O 3.15Å; Q212-L217 HydrophobicContact CB-CD2 3.64Å; Q212-H462 PolarHBondContact NE2-CE1 3.36Å; Q212-H462 PolarHBondContact NE2-NE2 3.4Å; Q212-H462 VanDerWaalsContact NE2-NE2 3.19Å; Q212-F463 PolarHBondContact NE2-O 2.84Å; Q212-F466 HydrophobicContact CB-CB 4.08Å; Q212-F466 HydrophobicContact CG-CB 4.15Å
213T85.4Confident89.3Confident25 Ų2520.4 Ų20.415%0.15311%0.106CC..  trans-110.5178.1166.273.60000108.5M141 K177 D215 R216M141-T213 HydrophobicContact CG-CG2 3.89Å; K177-T213 VanDerWaalsContact CE-O 3.29Å; K177-T213 WeakPolarHBondContact CE-O 3.46Å; K177-T213 PolarHBondContact NZ-O 3.37Å; K177-T213 VanDerWaalsContact NZ-O 3.12Å; T213-D215 PolarHBondContact O-N 3.12Å; T213-D215 VanDerWaalsContact O-N 3.15Å; T213-D215 PolarHBondContact OG1-N 3.45Å; T213-D215 PolarHBondContact OG1-OD1 2.84Å; T213-R216 PolarHBondContact N-O 3.39Å; T213-R216 VanDerWaalsContact OG1-CB 3.26Å; T213-R216 WeakPolarHBondContact OG1-CB 3.13Å; T213-R216 PolarHBondContact OG1-N 3.36Å
214P84.9Confident88.9Confident37 Ų3720.8 Ų20.824%0.2411%0.109CC..SBendtrans-53.8-32.4174.6-29.638000113.7D450P214-D450 HydrophobicContact CG-CB 4.24Å
215D82.8Confident88.7Confident22 Ų2221.1 Ų21.112%0.11811%0.11CC..SBendtrans-124.40.5-172.772.2-33.8000114.9K177 T213K177-D215 PolarHBondContact N-O 2.76Å; K177-D215 VanDerWaalsContact N-O 3.11Å; T213-D215 PolarHBondContact O-N 3.12Å; T213-D215 VanDerWaalsContact O-N 3.15Å; T213-D215 PolarHBondContact OG1-N 3.45Å; T213-D215 PolarHBondContact OG1-OD1 2.84Å
216R86.5Confident88.7Confident38 Ų3820.6 Ų20.614%0.14311%0.107CC..EExtended strand (participates in β ladder)trans-134.4153.3-177.9-55.4-69-178.2-89.6-17.4113.8I174 L175 Q212 T213I174-R216 HydrophobicContact CG2-CB 4.17Å; I174-R216 HydrophobicContact CG2-CG 3.98Å; L175-R216 CarbonylContact O-C 3.55Å; L175-R216 WeakPolarHBondContact O-CA 3.4Å; L175-R216 VanDerWaalsContact O-CD 3.31Å; L175-R216 WeakPolarHBondContact O-CD 3.42Å; Q212-R216 WeakPolarHBondContact CA-O 3.15Å; T213-R216 PolarHBondContact N-O 3.39Å; T213-R216 VanDerWaalsContact OG1-CB 3.26Å; T213-R216 WeakPolarHBondContact OG1-CB 3.13Å; T213-R216 PolarHBondContact OG1-N 3.36Å
217L86.8Confident88.7Confident0 Ų019.3 Ų19.30%09%0.094CC..EExtended strand (participates in β ladder)trans-110.7136.4160.4-60.2178.2000108.6I174 L175 K177 I180 T189 Q212 F463 F466I174-L217 WeakPolarHBondContact CA-O 3.28Å; L175-L217 HydrophobicContact CB-CB 4.44Å; L175-L217 PolarHBondContact N-O 2.93Å; L175-L217 PolarHBondContact O-N 3.23Å; K177-L217 HydrophobicContact CG-CD2 4.39Å; K177-L217 HydrophobicContact CG-CG 4.1Å; I180-L217 HydrophobicContact CD1-CD1 3.73Å; I180-L217 HydrophobicContact CD1-CG 4.38Å; T189-L217 HydrophobicContact CG2-CD1 3.57Å; Q212-L217 HydrophobicContact CB-CD2 3.64Å; L217-F463 HydrophobicContact CD1-CD1 3.9Å; L217-F463 HydrophobicContact CD1-CD2 4.01Å; L217-F463 HydrophobicContact CD1-CE1 3.96Å; L217-F463 HydrophobicContact CD1-CE2 4.08Å; L217-F463 HydrophobicContact CD1-CG 3.93Å; L217-F463 HydrophobicContact CD1-CZ 4.07Å; L217-F463 HydrophobicContact CD2-CB 3.99Å; L217-F463 HydrophobicContact CD2-CD2 3.84Å; L217-F463 HydrophobicContact CD2-CG 3.95Å; L217-F463 HydrophobicContact CG-CD2 4.33Å; L217-F466 HydrophobicContact CB-CD1 4.3Å; L217-F466 HydrophobicContact CB-CE1 3.81Å; L217-F466 HydrophobicContact CB-CZ 4.22Å; L217-F466 HydrophobicContact CD1-CE1 4.2Å; L217-F466 HydrophobicContact CD1-CE2 4.06Å; L217-F466 HydrophobicContact CD1-CZ 3.76Å; L217-F466 HydrophobicContact CD2-CD1 3.91Å; L217-F466 HydrophobicContact CD2-CD2 4.11Å; L217-F466 HydrophobicContact CD2-CE1 4.02Å; L217-F466 HydrophobicContact CD2-CE2 4.2Å; L217-F466 HydrophobicContact CD2-CG 3.96Å; L217-F466 HydrophobicContact CD2-CZ 4.16Å; L217-F466 HydrophobicContact CG-CE1 4.22Å; L217-F466 HydrophobicContact CG-CZ 4.27Å
218C88.6Confident88.8Confident0 Ų022.2 Ų22.20%011%0.107CC..EExtended strand (participates in β ladder)trans-126.9125.8-174.7-58.10000110.4K173 S210 F211K173-C218 WeakPolarHBondContact O-CA 3.39Å; S210-C218 WeakPolarHBondContact CA-O 3.43Å; F211-C218 HydrophobicContact CD1-CB 4.19Å; F211-C218 HydrophobicContact CD2-CB 3.9Å; F211-C218 HydrophobicContact CE1-CB 3.85Å; F211-C218 HydrophobicContact CE2-CB 3.51Å; F211-C218 HydrophobicContact CG-CB 4.21Å; F211-C218 HydrophobicContact CZ-CB 3.49Å; F211-C218 VanDerWaalsContact CZ-CB 3.49Å; F211-C218 PolarHBondContact N-O 2.92Å; F211-C218 PolarHBondContact O-N 2.92Å
219F89.9Confident89Confident0 Ų019.9 Ų19.90%010%0.097CC..EExtended strand (participates in β ladder)trans-114.4121.4171.3-56.3-96.8000108.6M172 K173 L175 T189 N193 L196 L207 M221 F466M172-F219 CarbonylContact C-O 3.6Å; M172-F219 VanDerWaalsContact CA-O 3.26Å; M172-F219 WeakPolarHBondContact CA-O 3.41Å; K173-F219 HydrophobicContact CB-CB 4.23Å; K173-F219 HydrophobicContact CB-CD2 4.41Å; K173-F219 HydrophobicContact CD-CD2 4.42Å; K173-F219 PolarHBondContact N-O 3.12Å; K173-F219 PolarHBondContact O-N 3.19Å; L175-F219 HydrophobicContact CD1-CD2 4.49Å; L175-F219 HydrophobicContact CD1-CE2 3.81Å; L175-F219 HydrophobicContact CG-CE2 4.45Å; T189-F219 HydrophobicContact CG2-CE2 4.27Å; T189-F219 HydrophobicContact CG2-CZ 4.04Å; N193-F219 HydrophobicContact CB-CE1 3.66Å; N193-F219 HydrophobicContact CB-CZ 4.24Å; L196-F219 HydrophobicContact CD1-CD1 4.34Å; L207-F219 HydrophobicContact CD1-CB 4.04Å; L207-F219 HydrophobicContact CD1-CD1 4.12Å; F219-M221 HydrophobicContact CB-CG 4.23Å; F219-M221 HydrophobicContact CB-SD 4.31Å; F219-F466 HydrophobicContact CD1-CE1 4.41Å; F219-F466 AromaticContact CE1-CE1 3.73Å; F219-F466 HydrophobicContact CE1-CE1 3.73Å; F219-F466 AromaticContact CE1-CZ 3.93Å; F219-F466 HydrophobicContact CE1-CZ 3.93Å; F219-F466 AromaticContact CE2-CE1 3.87Å; F219-F466 HydrophobicContact CE2-CE1 3.87Å; F219-F466 HydrophobicContact CE2-CZ 4.15Å; F219-F466 AromaticContact CZ-CE1 3.44Å; F219-F466 HydrophobicContact CZ-CE1 3.44Å; F219-F466 VanDerWaalsContact CZ-CE1 3.44Å; F219-F466 AromaticContact CZ-CZ 3.45Å; F219-F466 HydrophobicContact CZ-CZ 3.45Å; F219-F466 VanDerWaalsContact CZ-CZ 3.45Å
220V92.8Very high89Confident0 Ų023 Ų230%011%0.111CC..EExtended strand (participates in β ladder)trans-103.2111.6174.7-173.70000107.9F144 Y170 M172 K208 Y209 F211F144-V220 HydrophobicContact CE1-CG1 3.99Å; F144-V220 HydrophobicContact CE1-CG2 4.33Å; F144-V220 HydrophobicContact CE2-CG2 4.29Å; F144-V220 HydrophobicContact CZ-CG1 4.23Å; F144-V220 HydrophobicContact CZ-CG2 3.88Å; Y170-V220 VanDerWaalsContact CB-CG1 3.47Å; Y170-V220 HydrophobicContact CD1-CG1 4.11Å; Y170-V220 HydrophobicContact CD2-CG1 4.11Å; Y170-V220 HydrophobicContact CG-CG1 3.64Å; M172-V220 HydrophobicContact CE-CG2 3.8Å; M172-V220 HydrophobicContact CG-CG2 4.21Å; K208-V220 WeakPolarHBondContact CA-O 3.44Å; K208-V220 WeakPolarHBondContact CB-O 3.37Å; K208-V220 PolarHBondContact N-O 3.43Å; Y209-V220 HydrophobicContact CD2-CB 3.86Å; Y209-V220 HydrophobicContact CD2-CG1 3.88Å; Y209-V220 HydrophobicContact CD2-CG2 4.17Å; Y209-V220 HydrophobicContact CG-CB 4.37Å; Y209-V220 PolarHBondContact N-O 3.07Å; Y209-V220 VanDerWaalsContact N-O 3.15Å; Y209-V220 PolarHBondContact O-N 3.23Å; F211-V220 HydrophobicContact CE1-CG2 3.82Å
221M92.4Very high89.1Confident21 Ų2127 Ų2710%0.10313%0.128CC..EExtended strand (participates in β ladder)trans-120.4158.2-169.5-59.1174.6-62.700111Y170 A171 K173 L196 T205 G206 L207 F219 Y223Y170-M221 WeakPolarHBondContact CA-O 3.4Å; Y170-M221 WeakPolarHBondContact CB-O 3.31Å; A171-M221 PolarHBondContact N-O 3.47Å; A171-M221 PolarHBondContact O-N 3.37Å; K173-M221 HydrophobicContact CB-CE 3.77Å; K173-M221 HydrophobicContact CD-CE 4.46Å; L196-M221 HydrophobicContact CD1-SD 4.16Å; T205-M221 HydrophobicContact CG2-CB 3.94Å; G206-M221 CarbonylContact O-C 3.5Å; G206-M221 WeakPolarHBondContact O-CA 3.18Å; L207-M221 HydrophobicContact CD1-CG 3.98Å; F219-M221 HydrophobicContact CB-CG 4.23Å; F219-M221 HydrophobicContact CB-SD 4.31Å; M221-Y223 PolarHBondContact O-N 2.91Å
222E91.6Very high89.3Confident86 Ų8626.2 Ų26.240%0.40213%0.125SC..EExtended strand (participates in β ladder)trans-51.7136170-168.4-176.918000110.4T205 G206 K283T205-E222 HydrophobicContact CG2-CB 4.27Å; G206-E222 PolarHBondContact O-N 2.68Å; E222-K283 WeakPolarHBondContact OE1-CE 3.32Å; E222-K283 IonicContact OE1-NZ 2.76Å; E222-K283 PolarHBondContact OE1-NZ 2.85Å; E222-K283 IonicContact OE2-NZ 2.72Å; E222-K283 PolarHBondContact OE2-NZ 3.45Å
223Y90.1Very high89.7Confident28 Ų2824.8 Ų24.811%0.1112%0.119CC..  trans-97116.7-178.2177-128.6000111.2L150 L160 A171 M221 N225 E426 F432L150-Y223 HydrophobicContact CD1-CD2 3.88Å; L150-Y223 HydrophobicContact CD1-CE2 3.47Å; L150-Y223 VanDerWaalsContact CD1-CE2 3.47Å; L150-Y223 HydrophobicContact CD2-CE2 4.08Å; L150-Y223 HydrophobicContact CG-CE2 4.43Å; L160-Y223 HydrophobicContact CD1-CD1 3.55Å; L160-Y223 HydrophobicContact CD1-CD2 4.14Å; L160-Y223 HydrophobicContact CD1-CE1 3.53Å; L160-Y223 HydrophobicContact CD1-CE2 4.16Å; L160-Y223 HydrophobicContact CD1-CG 3.86Å; L160-Y223 HydrophobicContact CD2-CE1 4.2Å; L160-Y223 HydrophobicContact CG-CE1 4.49Å; A171-Y223 HydrophobicContact CB-CD2 4.28Å; M221-Y223 PolarHBondContact O-N 2.91Å; Y223-N225 HydrophobicContact CD1-CB 4.09Å; Y223-N225 HydrophobicContact CE1-CB 3.46Å; Y223-N225 VanDerWaalsContact CE1-CB 3.46Å; Y223-E426 WeakPolarHBondContact CE1-O 3.4Å; Y223-F432 HydrophobicContact CE2-CE1 4.31Å; Y223-F432 AromaticContact CE2-CE2 3.92Å; Y223-F432 HydrophobicContact CE2-CE2 3.92Å; Y223-F432 AromaticContact CE2-CZ 3.46Å; Y223-F432 HydrophobicContact CE2-CZ 3.46Å; Y223-F432 VanDerWaalsContact CE2-CZ 3.46Å; Y223-F432 AromaticContact CZ-CE2 3.8Å; Y223-F432 AromaticContact CZ-CZ 3.86Å; Y223-F432 WeakPolarHBondContact OH-CE2 3.5Å; Y223-F432 WeakPolarHBondContact OH-CZ 3.37Å
224A90.7Very high89.9Confident8 Ų826.9 Ų26.97%0.06614%0.135CC..  trans-93.4106.3171.400000109.8M275 K283A224-M275 HydrophobicContact CB-CB 3.85Å; A224-M275 HydrophobicContact CB-CE 4.44Å; A224-M275 HydrophobicContact CB-SD 4.26Å; A224-M275 WeakPolarHBondContact O-CE 3.15Å; A224-K283 HydrophobicContact CB-CB 4.17Å; A224-K283 HydrophobicContact CB-CG 4.21Å
225N89.6Confident90.1Very high10 Ų1030.9 Ų30.95%0.05315%0.145CC..THydrogen-bonded Turntrans-94.1-1.6-176.272.3-25.1000114.1Y223 G227 K278 V423 S425Y223-N225 HydrophobicContact CD1-CB 4.09Å; Y223-N225 HydrophobicContact CE1-CB 3.46Å; Y223-N225 VanDerWaalsContact CE1-CB 3.46Å; N225-G227 PolarHBondContact O-N 3.35Å; N225-K278 WeakPolarHBondContact OD1-CA 3.27Å; N225-K278 VanDerWaalsContact OD1-CB 3.29Å; N225-K278 WeakPolarHBondContact OD1-CB 3.44Å; N225-K278 PolarHBondContact OD1-N 3.49Å; N225-V423 WeakPolarHBondContact O-CG1 3.23Å; N225-S425 PolarHBondContact ND2-O 3.32Å
226G91.1Very high90.5Very high0 Ų032.7 Ų32.70%016%0.155CC..THydrogen-bonded Turntrans-73.5-9.6176.800000113.5H232 L276G226-H232 PolarHBondContact O-CE1 3.4Å; G226-H232 PolarHBondContact O-NE2 3Å; G226-L276 WeakPolarHBondContact CA-O 3.28Å; G226-L276 PolarHBondContact N-O 2.97Å
227G89.9Confident90.9Very high0 Ų040.6 Ų40.60%018%0.184CC..  trans86.4170.7177.400000114.3N225 M275 L276N225-G227 PolarHBondContact O-N 3.35Å; G227-M275 CarbonylContact O-C 3.4Å; G227-M275 WeakPolarHBondContact O-CA 3.4Å; G227-L276 PolarHBondContact O-N 3.48Å
228E90.6Very high91.3Very high74 Ų7444 Ų4435%0.34621%0.205SC..BIsolated β-bridgetrans-69.2142.4178-66.1171.3-153.800111.5F230 F231 H232 M275E228-F230 PolarHBondContact O-N 2.87Å; E228-F231 WeakPolarHBondContact O-CB 3.33Å; E228-F231 PolarHBondContact O-N 2.86Å; E228-F231 VanDerWaalsContact O-N 3.12Å; E228-H232 PolarHBondContact O-CD2 3.43Å; E228-H232 PolarHBondContact O-N 2.93Å; E228-M275 HydrophobicContact CG-CE 4.42Å; E228-M275 HydrophobicContact CG-CG 4.38Å
229L93.7Very high91.8Very high0 Ų044.2 Ų44.20%021%0.206CC..Hα-helixtrans-64.9-33.3178-161.565.1000110.9F231 H232 L233 F239 Y247 L271 L274 L276 I282 M336L229-F231 VanDerWaalsContact C-N 3.31Å; L229-F231 PolarHBondContact O-N 3.29Å; L229-H232 PolarHBondContact O-N 3.45Å; L229-L233 WeakPolarHBondContact O-CB 3.38Å; L229-L233 PolarHBondContact O-N 3.49Å; L229-F239 HydrophobicContact CD1-CE2 3.82Å; L229-F239 HydrophobicContact CD1-CZ 4.18Å; L229-F239 HydrophobicContact CG-CE2 4.05Å; L229-Y247 HydrophobicContact CD1-CD2 4.05Å; L229-Y247 HydrophobicContact CD1-CE2 3.77Å; L229-Y247 HydrophobicContact CD2-CD2 4.38Å; L229-L271 HydrophobicContact CD2-CD2 4.02Å; L229-L271 HydrophobicContact CG-CD2 4.37Å; L229-L274 HydrophobicContact CB-CB 3.93Å; L229-L274 WeakPolarHBondContact CB-O 3.29Å; L229-L274 HydrophobicContact CD2-CB 4.11Å; L229-L274 HydrophobicContact CD2-CD1 4.04Å; L229-L274 PolarHBondContact N-O 3.48Å; L229-L276 HydrophobicContact CD1-CD1 4.34Å; L229-L276 HydrophobicContact CD1-CD2 4.13Å; L229-L276 HydrophobicContact CD1-CG 4.26Å; L229-I282 HydrophobicContact CD2-CD1 4.02Å; L229-M336 HydrophobicContact CD2-SD 3.86Å
230F89.7Confident92.2Very high83 Ų8347.5 Ų47.536%0.36423%0.229SC..Hα-helixtrans-52.9-44.9170.3179.5-102000112.7E228 L233 S234 L271E228-F230 PolarHBondContact O-N 2.87Å; F230-L233 PolarHBondContact O-N 3.03Å; F230-S234 VanDerWaalsContact O-CB 3.28Å; F230-S234 WeakPolarHBondContact O-CB 3.22Å; F230-S234 PolarHBondContact O-N 3.08Å; F230-S234 PolarHBondContact O-OG 2.98Å; F230-L271 HydrophobicContact CB-CB 3.89Å; F230-L271 HydrophobicContact CD2-CB 4.34Å; F230-L271 HydrophobicContact CD2-CD1 4.38Å; F230-L271 PolarHBondContact N-O 3.37Å
231F89Confident92.4Very high82 Ų8249.7 Ų49.736%0.3624%0.239SC..Hα-helixtrans-62.4-45.9177.9175.3-88.2000111.7E228 L229 S234 R235 Y431E228-F231 WeakPolarHBondContact O-CB 3.33Å; E228-F231 PolarHBondContact O-N 2.86Å; E228-F231 VanDerWaalsContact O-N 3.12Å; L229-F231 VanDerWaalsContact C-N 3.31Å; L229-F231 PolarHBondContact O-N 3.29Å; F231-S234 PolarHBondContact O-N 2.99Å; F231-R235 PolarHBondContact O-N 3.43Å; F231-Y431 HydrophobicContact CD1-CD1 4.08Å; F231-Y431 AromaticContact CE1-CD1 3.63Å; F231-Y431 HydrophobicContact CE1-CD1 3.63Å; F231-Y431 HydrophobicContact CE1-CE1 4.23Å; F231-Y431 HydrophobicContact CZ-CD1 4.45Å
232H93.1Very high92.7Very high0 Ų055.4 Ų55.40%027%0.266CS..Hα-helixtrans-66.3-41.5179.4-65.9-67.7000112G226 E228 L229 R235 D236 F239 F419 Y431G226-H232 PolarHBondContact O-CE1 3.4Å; G226-H232 PolarHBondContact O-NE2 3Å; E228-H232 PolarHBondContact O-CD2 3.43Å; E228-H232 PolarHBondContact O-N 2.93Å; L229-H232 PolarHBondContact O-N 3.45Å; H232-R235 PolarHBondContact O-N 3.24Å; H232-D236 WeakPolarHBondContact O-CB 3.35Å; H232-D236 PolarHBondContact O-N 3.44Å; H232-F239 HydrophobicContact CB-CE1 4.44Å; H232-F239 HydrophobicContact CB-CZ 3.98Å; H232-F419 AromaticContact CE1-CE1 3.52Å; H232-F419 AromaticContact CE1-CZ 3.71Å; H232-F419 AromaticContact ND1-CE1 3.62Å; H232-F419 AromaticContact ND1-CZ 3.64Å; H232-Y431 AromaticContact CE1-CD1 3.75Å; H232-Y431 AromaticContact CE1-CE1 3.74Å
233L93.6Very high93Very high6 Ų652.4 Ų52.43%0.03125%0.251CS..Hα-helixtrans-66.9-41.5177.5-174.264.9000111.4L229 F230 R235 D236 R237 F239 L271 E335L229-L233 WeakPolarHBondContact O-CB 3.38Å; L229-L233 PolarHBondContact O-N 3.49Å; F230-L233 PolarHBondContact O-N 3.03Å; L233-R235 PolarHBondContact O-N 2.93Å; L233-D236 PolarHBondContact O-N 2.84Å; L233-R237 CarbonylContact O-C 3.53Å; L233-R237 WeakPolarHBondContact O-CA 3.31Å; L233-R237 PolarHBondContact O-N 3.18Å; L233-F239 HydrophobicContact CB-CE1 4.18Å; L233-F239 HydrophobicContact CB-CE2 4.25Å; L233-F239 HydrophobicContact CB-CZ 3.81Å; L233-F239 HydrophobicContact CD1-CD1 3.8Å; L233-F239 HydrophobicContact CD1-CD2 4.1Å; L233-F239 HydrophobicContact CD1-CE1 3.89Å; L233-F239 HydrophobicContact CD1-CE2 4.17Å; L233-F239 HydrophobicContact CD1-CG 3.91Å; L233-F239 HydrophobicContact CD1-CZ 4.07Å; L233-L271 HydrophobicContact CD2-CD1 3.42Å; L233-L271 VanDerWaalsContact CD2-CD1 3.42Å; L233-E335 HydrophobicContact CD2-CG 3.87Å
234S89.9Confident93.4Very high70 Ų7051.1 Ų51.149%0.4925%0.246SC..Hα-helixtrans-58.4-37.3177.1-67.20000112.2F230 F231F230-S234 VanDerWaalsContact O-CB 3.28Å; F230-S234 WeakPolarHBondContact O-CB 3.22Å; F230-S234 PolarHBondContact O-N 3.08Å; F230-S234 PolarHBondContact O-OG 2.98Å; F231-S234 PolarHBondContact O-N 2.99Å
235R89.4Confident93.8Very high121 Ų12153.8 Ų53.846%0.45725%0.254SS..Hα-helixtrans-75.5-47.1177.3-171-176.467.1-156.7-9112.6F231 H232 L233 R237F231-R235 PolarHBondContact O-N 3.43Å; H232-R235 PolarHBondContact O-N 3.24Å; L233-R235 PolarHBondContact O-N 2.93Å; R235-R237 VanDerWaalsContact C-N 3.27Å; R235-R237 PolarHBondContact O-N 3.5Å
236D91.9Very high94.2Very high60 Ų6054 Ų5432%0.32126%0.255SS..Hα-helixtrans-83-9.4-174.5-60.7-3.9000112H232 L233 V238 F239 R243H232-D236 WeakPolarHBondContact O-CB 3.35Å; H232-D236 PolarHBondContact O-N 3.44Å; L233-D236 PolarHBondContact O-N 2.84Å; D236-V238 PolarHBondContact O-N 3.32Å; D236-F239 HydrophobicContact CB-CD1 4.3Å; D236-F239 HydrophobicContact CB-CE1 4.06Å; D236-R243 IonicContact OD2-CZ 2.66Å; D236-R243 IonicContact OD2-NH1 2.98Å; D236-R243 PolarHBondContact OD2-NH1 3.43Å; D236-R243 IonicContact OD2-NH2 3.49Å
237R93.8Very high94.6Very high203 Ų20354 Ų5477%0.76626%0.255SS*.SBendtrans64.9-44.9-175.6-56-177.9177.8-171-1.7115.1L233 R235 G339L233-R237 CarbonylContact O-C 3.53Å; L233-R237 WeakPolarHBondContact O-CA 3.31Å; L233-R237 PolarHBondContact O-N 3.18Å; R235-R237 VanDerWaalsContact C-N 3.27Å; R235-R237 PolarHBondContact O-N 3.5Å; R237-G339 WeakPolarHBondContact O-CA 3.19Å
238V96.4Very high95Very high71 Ų7154 Ų5443%0.4326%0.255SS..SBendtrans-146140.5-178.11790000108.4D236 M337D236-V238 PolarHBondContact O-N 3.32Å; V238-M337 WeakPolarHBondContact CG1-O 3.5Å
239F98.2Very high95.4Very high5 Ų550.5 Ų50.52%0.02224%0.238CC..  trans-93148.3167.9-64.2-17.9000111L229 H232 L233 D236 R243 Y247 M336L229-F239 HydrophobicContact CD1-CE2 3.82Å; L229-F239 HydrophobicContact CD1-CZ 4.18Å; L229-F239 HydrophobicContact CG-CE2 4.05Å; H232-F239 HydrophobicContact CB-CE1 4.44Å; H232-F239 HydrophobicContact CB-CZ 3.98Å; L233-F239 HydrophobicContact CB-CE1 4.18Å; L233-F239 HydrophobicContact CB-CE2 4.25Å; L233-F239 HydrophobicContact CB-CZ 3.81Å; L233-F239 HydrophobicContact CD1-CD1 3.8Å; L233-F239 HydrophobicContact CD1-CD2 4.1Å; L233-F239 HydrophobicContact CD1-CE1 3.89Å; L233-F239 HydrophobicContact CD1-CE2 4.17Å; L233-F239 HydrophobicContact CD1-CG 3.91Å; L233-F239 HydrophobicContact CD1-CZ 4.07Å; D236-F239 HydrophobicContact CB-CD1 4.3Å; D236-F239 HydrophobicContact CB-CE1 4.06Å; F239-R243 HydrophobicContact CB-CB 4.23Å; F239-R243 HydrophobicContact CB-CG 4.14Å; F239-R243 HydrophobicContact CD2-CG 4.27Å; F239-R243 HydrophobicContact CG-CG 4.14Å; F239-Y247 HydrophobicContact CD2-CD2 4.15Å; F239-Y247 HydrophobicContact CD2-CE2 4Å; F239-Y247 HydrophobicContact CE2-CD2 4.15Å; F239-Y247 AromaticContact CE2-CE2 3.8Å; F239-Y247 HydrophobicContact CE2-CE2 3.8Å; F239-M336 HydrophobicContact CB-CB 4.44Å; F239-M336 HydrophobicContact CD2-CB 3.98Å; F239-M336 HydrophobicContact CD2-CG 3.74Å; F239-M336 HydrophobicContact CD2-SD 3.83Å; F239-M336 HydrophobicContact CE2-CG 4.11Å; F239-M336 HydrophobicContact CE2-SD 4.14Å; F239-M336 PolarHBondContact N-O 3.13Å
240S98.1Very high95.6Very high70 Ų7050.6 Ų50.649%0.4924%0.239SC..  trans-63.2155.2169.564.70000110.7E242 R243 A244S240-E242 PolarHBondContact O-N 2.87Å; S240-R243 PolarHBondContact O-N 3.29Å; S240-R243 VanDerWaalsContact O-N 3.08Å; S240-R243 WeakPolarHBondContact OG-CB 3.5Å; S240-R243 PolarHBondContact OG-N 3.2Å; S240-A244 PolarHBondContact O-N 3.32Å
241E98.1Very high96.1Very high46 Ų4646.7 Ų46.722%0.21522%0.221CC..Hα-helixtrans-58.2-32.1175.1-66.5-166.1-153.200112.3R245 M337 L366 G367 F401E241-R245 WeakPolarHBondContact O-CB 3.18Å; E241-R245 PolarHBondContact O-N 3.28Å; E241-M337 HydrophobicContact CB-SD 4.28Å; E241-M337 HydrophobicContact CG-SD 3.86Å; E241-L366 HydrophobicContact CG-CD1 4.45Å; E241-G367 WeakPolarHBondContact OE1-CA 3.09Å; E241-G367 PolarHBondContact OE1-N 3.21Å; E241-F401 HydrophobicContact CB-CE2 4.23Å; E241-F401 HydrophobicContact CB-CZ 4.46Å
242E97.9Very high96.5Very high141 Ų14142.8 Ų42.866%0.65920%0.204SC*.Hα-helixtrans-65.8-43.7174.9-174.3178.8-175.700112.4S240 R245 F246S240-E242 PolarHBondContact O-N 2.87Å; E242-R245 PolarHBondContact O-N 3.15Å; E242-F246 PolarHBondContact O-N 2.81Å
243R98.4Very high96.8Very high23 Ų2343.3 Ų43.39%0.08721%0.208CC..Hα-helixtrans-67.1-42.4176179.5170.6-174.3-165.8-2.8111.7D236 F239 S240 R245 F246 Y247 P418D236-R243 IonicContact OD2-CZ 2.66Å; D236-R243 IonicContact OD2-NH1 2.98Å; D236-R243 PolarHBondContact OD2-NH1 3.43Å; D236-R243 IonicContact OD2-NH2 3.49Å; F239-R243 HydrophobicContact CB-CB 4.23Å; F239-R243 HydrophobicContact CB-CG 4.14Å; F239-R243 HydrophobicContact CD2-CG 4.27Å; F239-R243 HydrophobicContact CG-CG 4.14Å; S240-R243 PolarHBondContact O-N 3.29Å; S240-R243 VanDerWaalsContact O-N 3.08Å; S240-R243 WeakPolarHBondContact OG-CB 3.5Å; S240-R243 PolarHBondContact OG-N 3.2Å; R243-R245 VanDerWaalsContact C-N 3.32Å; R243-F246 PolarHBondContact O-N 2.84Å; R243-Y247 HydrophobicContact CG-CD2 4.03Å; R243-Y247 HydrophobicContact CG-CE2 3.45Å; R243-Y247 VanDerWaalsContact CG-CE2 3.45Å; R243-Y247 PolarHBondContact NE-OH 3.26Å; R243-Y247 VanDerWaalsContact NE-OH 3.15Å; R243-Y247 PolarHBondContact NH2-OH 2.82Å; R243-Y247 WeakPolarHBondContact O-CD2 3.45Å; R243-Y247 PolarHBondContact O-N 3.43Å; R243-P418 HydrophobicContact CB-CB 4.42Å; R243-P418 HydrophobicContact CB-CG 4.11Å; R243-P418 HydrophobicContact CG-CB 4.48Å; R243-P418 HydrophobicContact CG-CG 3.85Å
244A98.4Very high97Very high0 Ų043 Ų430%021%0.207CC..Hα-helixtrans-65.5-34.7175.100000112.3S240 G248 M336 M337S240-A244 PolarHBondContact O-N 3.32Å; A244-G248 WeakPolarHBondContact O-CA 3.39Å; A244-G248 PolarHBondContact O-N 2.91Å; A244-M336 HydrophobicContact CB-CB 4.16Å; A244-M336 HydrophobicContact CB-CE 4.32Å; A244-M337 HydrophobicContact CB-CG 3.44Å; A244-M337 VanDerWaalsContact CB-CG 3.44Å; A244-M337 HydrophobicContact CB-SD 3.9Å
245R98.8Very high97.3Very high65 Ų6539.7 Ų39.725%0.24518%0.183CC..Hα-helixtrans-63.7-44173.7-175.8-171.7-59.7111.78.7111.9E241 E242 R243 G248 A249 F401 F402 I405E241-R245 WeakPolarHBondContact O-CB 3.18Å; E241-R245 PolarHBondContact O-N 3.28Å; E242-R245 PolarHBondContact O-N 3.15Å; R243-R245 VanDerWaalsContact C-N 3.32Å; R245-G248 PolarHBondContact O-N 3.1Å; R245-A249 WeakPolarHBondContact O-CB 3.46Å; R245-A249 PolarHBondContact O-N 2.83Å; R245-F401 HydrophobicContact CB-CD1 4.48Å; R245-F401 HydrophobicContact CB-CE1 3.63Å; R245-F401 HydrophobicContact CB-CZ 3.96Å; R245-F401 WeakPolarHBondContact CD-O 3.35Å; R245-F401 HydrophobicContact CG-CD1 4.29Å; R245-F401 HydrophobicContact CG-CE1 3.91Å; R245-F401 PolarHBondContact NE-O 3.31Å; R245-F402 HydrophobicContact CG-CD1 3.78Å; R245-F402 HydrophobicContact CG-CE1 4.07Å; R245-I405 HydrophobicContact CG-CD1 4.48Å; R245-I405 HydrophobicContact CG-CG1 4.49Å
246F98.8Very high97.7Very high15 Ų1536.1 Ų36.17%0.06617%0.173CC..Hα-helixtrans-58.5-55.6175.9176.1-89000111.1E242 R243 G248 A249 E250 H281 L415 P417 P418E242-F246 PolarHBondContact O-N 2.81Å; R243-F246 PolarHBondContact O-N 2.84Å; F246-G248 PolarHBondContact O-N 2.83Å; F246-A249 PolarHBondContact O-N 3.49Å; F246-E250 HydrophobicContact CE1-CG 4.48Å; F246-E250 WeakPolarHBondContact CZ-OE1 3.34Å; F246-E250 PolarHBondContact O-N 2.58Å; F246-H281 AromaticContact CZ-ND1 3.71Å; F246-L415 HydrophobicContact CD2-CB 4.12Å; F246-L415 HydrophobicContact CE2-CB 3.69Å; F246-P417 HydrophobicContact CE1-CB 4.18Å; F246-P417 HydrophobicContact CE1-CG 4.48Å; F246-P417 HydrophobicContact CE2-CG 4.5Å; F246-P417 HydrophobicContact CZ-CB 3.91Å; F246-P417 HydrophobicContact CZ-CG 3.82Å; F246-P418 HydrophobicContact CB-CG 4.06Å; F246-P418 VanDerWaalsContact CD1-CD 3.42Å; F246-P418 HydrophobicContact CD1-CG 4.08Å; F246-P418 VanDerWaalsContact CG-CD 3.42Å; F246-P418 HydrophobicContact CG-CG 4.06Å
247Y98.8Very high97.8Very high0 Ų033.8 Ų33.80%016%0.16CC..Hα-helixtrans-64.4-40.6179.5-60.7-40.4000112.5L229 F239 R243 A249 E250 I251 L276 I282 M336L229-Y247 HydrophobicContact CD1-CD2 4.05Å; L229-Y247 HydrophobicContact CD1-CE2 3.77Å; L229-Y247 HydrophobicContact CD2-CD2 4.38Å; F239-Y247 HydrophobicContact CD2-CD2 4.15Å; F239-Y247 HydrophobicContact CD2-CE2 4Å; F239-Y247 HydrophobicContact CE2-CD2 4.15Å; F239-Y247 AromaticContact CE2-CE2 3.8Å; F239-Y247 HydrophobicContact CE2-CE2 3.8Å; R243-Y247 HydrophobicContact CG-CD2 4.03Å; R243-Y247 HydrophobicContact CG-CE2 3.45Å; R243-Y247 VanDerWaalsContact CG-CE2 3.45Å; R243-Y247 PolarHBondContact NE-OH 3.26Å; R243-Y247 VanDerWaalsContact NE-OH 3.15Å; R243-Y247 PolarHBondContact NH2-OH 2.82Å; R243-Y247 WeakPolarHBondContact O-CD2 3.45Å; R243-Y247 PolarHBondContact O-N 3.43Å; Y247-A249 VanDerWaalsContact C-N 3.31Å; Y247-A249 PolarHBondContact O-N 3.07Å; Y247-E250 PolarHBondContact O-N 3.48Å; Y247-I251 WeakPolarHBondContact O-CD1 3.41Å; Y247-I251 VanDerWaalsContact O-CG1 3.22Å; Y247-I251 WeakPolarHBondContact O-CG1 3.49Å; Y247-I251 PolarHBondContact O-N 3Å; Y247-L276 HydrophobicContact CD1-CD2 4.33Å; Y247-L276 HydrophobicContact CE1-CD2 3.72Å; Y247-I282 HydrophobicContact CD1-CD1 3.78Å; Y247-I282 HydrophobicContact CD1-CG1 3.75Å; Y247-I282 HydrophobicContact CG-CD1 4.03Å; Y247-I282 HydrophobicContact CG-CG1 4.25Å; Y247-M336 HydrophobicContact CD2-SD 3.95Å
248G98.8Very high97.4Very high0 Ų024.1 Ų24.10%012%0.124CC..Hα-helixtrans-59.3-40.2176.200000112.5A244 R245 F246 I251 V252A244-G248 WeakPolarHBondContact O-CA 3.39Å; A244-G248 PolarHBondContact O-N 2.91Å; R245-G248 PolarHBondContact O-N 3.1Å; F246-G248 PolarHBondContact O-N 2.83Å; G248-I251 PolarHBondContact O-N 3.04Å; G248-V252 WeakPolarHBondContact O-CB 3.32Å; G248-V252 VanDerWaalsContact O-CG2 3.22Å; G248-V252 WeakPolarHBondContact O-CG2 3.47Å; G248-V252 PolarHBondContact O-N 2.81Å
249A98.9Very high97Very high0 Ų020.8 Ų20.80%010%0.103CC..Hα-helixtrans-65.1-42.7177.100000112R245 F246 Y247 I251 V252 S253 F402 I405 W407 V410R245-A249 WeakPolarHBondContact O-CB 3.46Å; R245-A249 PolarHBondContact O-N 2.83Å; F246-A249 PolarHBondContact O-N 3.49Å; Y247-A249 VanDerWaalsContact C-N 3.31Å; Y247-A249 PolarHBondContact O-N 3.07Å; A249-I251 VanDerWaalsContact C-N 3.35Å; A249-I251 PolarHBondContact O-N 2.76Å; A249-V252 PolarHBondContact O-N 2.82Å; A249-S253 WeakPolarHBondContact O-CB 3.48Å; A249-S253 PolarHBondContact O-N 3.11Å; A249-F402 HydrophobicContact CB-CD1 4.29Å; A249-F402 HydrophobicContact CB-CE1 4.18Å; A249-I405 HydrophobicContact CB-CG2 4.35Å; A249-W407 HydrophobicContact CB-CH2 4.07Å; A249-W407 HydrophobicContact CB-CZ3 4.01Å; A249-W407 WeakPolarHBondContact O-CZ3 3.31Å; A249-V410 HydrophobicContact CB-CG1 4.43Å; A249-V410 HydrophobicContact CB-CG2 4.15Å
250E98.8Very high96.4Very high2 Ų223.6 Ų23.61%0.00912%0.124CC..Hα-helixtrans-64.6-39.7176.7-63.6-170.7149.300112.3F203 F246 Y247 S253 A254 H281 I282 V410F203-E250 HydrophobicContact CD1-CB 4.15Å; F203-E250 HydrophobicContact CD1-CG 4.27Å; F203-E250 HydrophobicContact CD2-CB 3.73Å; F203-E250 HydrophobicContact CD2-CG 4.21Å; F203-E250 WeakPolarHBondContact CD2-O 3.43Å; F203-E250 HydrophobicContact CE1-CB 4.19Å; F203-E250 VanDerWaalsContact CE1-CD 3.42Å; F203-E250 HydrophobicContact CE1-CG 3.82Å; F203-E250 WeakPolarHBondContact CE1-OE1 3.43Å; F203-E250 HydrophobicContact CE2-CB 3.84Å; F203-E250 HydrophobicContact CE2-CG 3.81Å; F203-E250 HydrophobicContact CG-CB 3.93Å; F203-E250 HydrophobicContact CG-CG 4.46Å; F203-E250 HydrophobicContact CZ-CB 4.05Å; F203-E250 HydrophobicContact CZ-CG 3.58Å; F203-E250 WeakPolarHBondContact CZ-OE1 3.28Å; F246-E250 HydrophobicContact CE1-CG 4.48Å; F246-E250 WeakPolarHBondContact CZ-OE1 3.34Å; F246-E250 PolarHBondContact O-N 2.58Å; Y247-E250 PolarHBondContact O-N 3.48Å; E250-S253 PolarHBondContact O-N 3.18Å; E250-A254 PolarHBondContact O-N 3.18Å; E250-H281 IonicContact OE1-CE1 3.07Å; E250-H281 IonicContact OE1-CG 2.66Å; E250-H281 IonicContact OE1-ND1 3.94Å; E250-H281 PolarHBondContact OE1-ND1 3.14Å; E250-I282 HydrophobicContact CB-CB 4.07Å; E250-I282 HydrophobicContact CB-CG1 4.2Å; E250-I282 WeakPolarHBondContact OE2-CB 3.42Å; E250-I282 WeakPolarHBondContact OE2-CG1 3.44Å; E250-I282 PolarHBondContact OE2-N 3.43Å; E250-V410 HydrophobicContact CG-CG1 4.27Å
251I98.8Very high95.8Very high0 Ų026 Ų260%013%0.127CC..Hα-helixtrans-65.4-46.4175.7-64.5162.4000110.6Y247 G248 A249 S253 A254 L255 L269 L274 I282 L329 V332Y247-I251 WeakPolarHBondContact O-CD1 3.41Å; Y247-I251 VanDerWaalsContact O-CG1 3.22Å; Y247-I251 WeakPolarHBondContact O-CG1 3.49Å; Y247-I251 PolarHBondContact O-N 3Å; G248-I251 PolarHBondContact O-N 3.04Å; A249-I251 VanDerWaalsContact C-N 3.35Å; A249-I251 PolarHBondContact O-N 2.76Å; I251-S253 VanDerWaalsContact C-N 3.32Å; I251-S253 PolarHBondContact O-N 2.83Å; I251-A254 PolarHBondContact O-N 3.35Å; I251-A254 VanDerWaalsContact O-N 3.16Å; I251-L255 HydrophobicContact CG2-CD1 3.85Å; I251-L255 HydrophobicContact CG2-CG 4.27Å; I251-L255 WeakPolarHBondContact O-CG 3.25Å; I251-L255 PolarHBondContact O-N 3.22Å; I251-L269 HydrophobicContact CG2-CD1 4.05Å; I251-L269 HydrophobicContact CG2-CD2 3.95Å; I251-L274 HydrophobicContact CD1-CD1 3.68Å; I251-L274 HydrophobicContact CD1-CD2 4.09Å; I251-L274 HydrophobicContact CG1-CD2 4.04Å; I251-I282 HydrophobicContact CG1-CG1 4.47Å; I251-I282 HydrophobicContact CG1-CG2 4.08Å; I251-L329 HydrophobicContact CB-CD1 4.2Å; I251-L329 HydrophobicContact CG2-CD1 3.8Å; I251-V332 HydrophobicContact CD1-CG1 4.3Å
252V98.8Very high94.9Very high0 Ų027 Ų270%013%0.13CC..Hα-helixtrans-58-45.7176.5168.40000110.8G248 A249 A254 L255 D256 W326 L329 I396 M397 W407G248-V252 WeakPolarHBondContact O-CB 3.32Å; G248-V252 VanDerWaalsContact O-CG2 3.22Å; G248-V252 WeakPolarHBondContact O-CG2 3.47Å; G248-V252 PolarHBondContact O-N 2.81Å; A249-V252 PolarHBondContact O-N 2.82Å; V252-A254 VanDerWaalsContact C-N 3.31Å; V252-A254 PolarHBondContact O-N 2.77Å; V252-L255 PolarHBondContact O-N 2.91Å; V252-D256 WeakPolarHBondContact O-CB 3.42Å; V252-D256 PolarHBondContact O-N 3.12Å; V252-W326 HydrophobicContact CG2-CZ3 4.36Å; V252-L329 HydrophobicContact CG2-CD2 3.46Å; V252-L329 VanDerWaalsContact CG2-CD2 3.46Å; V252-I396 HydrophobicContact CG1-CG2 4.47Å; V252-I396 HydrophobicContact CG2-CG2 3.81Å; V252-M397 HydrophobicContact CG1-CG 3.79Å; V252-W407 HydrophobicContact CB-CH2 3.99Å; V252-W407 HydrophobicContact CB-CZ3 3.85Å; V252-W407 HydrophobicContact CG1-CH2 3.73Å; V252-W407 HydrophobicContact CG1-CZ3 3.64Å
253S98.7Very high94Very high12 Ų1222.2 Ų22.28%0.08411%0.11CC..Hα-helixtrans-58.8-41.2176.5174.70000112.3H201 A249 E250 I251 Y257H201-S253 PolarHBondContact CE1-OG 3.42Å; H201-S253 PolarHBondContact NE2-O 2.7Å; H201-S253 PolarHBondContact NE2-OG 3.01Å; A249-S253 WeakPolarHBondContact O-CB 3.48Å; A249-S253 PolarHBondContact O-N 3.11Å; E250-S253 PolarHBondContact O-N 3.18Å; I251-S253 VanDerWaalsContact C-N 3.32Å; I251-S253 PolarHBondContact O-N 2.83Å; S253-Y257 PolarHBondContact O-N 2.86Å
254A97.7Very high93Very high0 Ų021.2 Ų21.20%011%0.106CC..Hα-helixtrans-70.4-39.2178.900000113.2H201 F203 L204 E250 I251 V252 Y257 L258 I284H201-A254 VanDerWaalsContact CE1-CA 3.47Å; H201-A254 WeakPolarHBondContact CE1-CA 3.27Å; F203-A254 HydrophobicContact CB-CB 4.17Å; L204-A254 HydrophobicContact CD2-CB 3.87Å; L204-A254 HydrophobicContact CG-CB 4.32Å; E250-A254 PolarHBondContact O-N 3.18Å; I251-A254 PolarHBondContact O-N 3.35Å; I251-A254 VanDerWaalsContact O-N 3.16Å; V252-A254 VanDerWaalsContact C-N 3.31Å; V252-A254 PolarHBondContact O-N 2.77Å; A254-Y257 WeakPolarHBondContact O-CB 3.4Å; A254-L258 WeakPolarHBondContact O-CG 3.49Å; A254-L258 PolarHBondContact O-N 2.83Å; A254-L258 VanDerWaalsContact O-N 3.17Å; A254-I284 HydrophobicContact CB-CD1 3.67Å
255L96.2Very high92.1Very high0 Ų021.2 Ų21.20%011%0.106CC..Hα-helixtrans-70.1-41.1177.2-69.3175.1000111.6I251 V252 Y257 L258 H259 L269 D325 W326I251-L255 HydrophobicContact CG2-CD1 3.85Å; I251-L255 HydrophobicContact CG2-CG 4.27Å; I251-L255 WeakPolarHBondContact O-CG 3.25Å; I251-L255 PolarHBondContact O-N 3.22Å; V252-L255 PolarHBondContact O-N 2.91Å; L255-Y257 VanDerWaalsContact C-N 3.29Å; L255-Y257 PolarHBondContact O-N 2.98Å; L255-L258 HydrophobicContact CD2-CD1 4.46Å; L255-L258 PolarHBondContact O-N 2.95Å; L255-L258 VanDerWaalsContact O-N 3.1Å; L255-H259 WeakPolarHBondContact O-CB 3.4Å; L255-H259 PolarHBondContact O-CD2 3.41Å; L255-H259 VanDerWaalsContact O-CG 3.31Å; L255-H259 PolarHBondContact O-N 3.41Å; L255-L269 HydrophobicContact CD1-CD2 4.21Å; L255-D325 HydrophobicContact CD1-CB 4.13Å; L255-D325 HydrophobicContact CD2-CB 4.08Å; L255-W326 HydrophobicContact CB-CH2 3.63Å; L255-W326 HydrophobicContact CB-CZ3 3.73Å; L255-W326 HydrophobicContact CD1-CE3 3.99Å; L255-W326 HydrophobicContact CD1-CH2 4.32Å; L255-W326 HydrophobicContact CD1-CZ3 3.58Å; L255-W326 HydrophobicContact CG-CZ3 4.32Å
256D96.8Very high91.5Very high45 Ų4518.2 Ų18.224%0.24110%0.095CC..Hα-helixtrans-55.6-45.5173.6-177.439.8000111.1V252 L258 H259 S260 A393V252-D256 WeakPolarHBondContact O-CB 3.42Å; V252-D256 PolarHBondContact O-N 3.12Å; D256-L258 PolarHBondContact O-N 3.43Å; D256-H259 PolarHBondContact O-N 2.87Å; D256-S260 VanDerWaalsContact O-CB 3.29Å; D256-S260 WeakPolarHBondContact O-CB 3.45Å; D256-S260 PolarHBondContact O-N 2.91Å; D256-S260 PolarHBondContact O-OG 2.98Å; D256-A393 HydrophobicContact CB-CB 3.54Å; D256-A393 WeakPolarHBondContact OD1-CB 3.29Å
257Y94.3Very high90.8Very high12 Ų1218.6 Ų18.65%0.04710%0.096CC..Hα-helixtrans-58.5-46.6174.3172.8-92.7000113K200 H201 L204 S253 A254 L255 E261 K262K200-Y257 PolarHBondContact N-OH 3.42Å; K200-Y257 VanDerWaalsContact O-CZ 3.32Å; K200-Y257 PolarHBondContact O-OH 3.27Å; K200-Y257 VanDerWaalsContact O-OH 3.11Å; H201-Y257 HydrophobicContact CB-CD1 3.87Å; H201-Y257 HydrophobicContact CB-CD2 4.47Å; H201-Y257 HydrophobicContact CB-CE1 4.05Å; H201-Y257 HydrophobicContact CB-CG 4.09Å; H201-Y257 VanDerWaalsContact CD2-CB 3.43Å; H201-Y257 WeakPolarHBondContact CD2-CB 3.47Å; H201-Y257 AromaticContact CD2-CD2 3.75Å; H201-Y257 AromaticContact CD2-CG 3.51Å; L204-Y257 HydrophobicContact CD1-CD1 3.84Å; L204-Y257 HydrophobicContact CD1-CE1 4.06Å; S253-Y257 PolarHBondContact O-N 2.86Å; A254-Y257 WeakPolarHBondContact O-CB 3.4Å; L255-Y257 VanDerWaalsContact C-N 3.29Å; L255-Y257 PolarHBondContact O-N 2.98Å; Y257-E261 HydrophobicContact CD2-CB 4.2Å; Y257-E261 HydrophobicContact CD2-CG 4.04Å; Y257-E261 WeakPolarHBondContact CD2-OE2 3.43Å; Y257-E261 HydrophobicContact CE2-CB 4.27Å; Y257-E261 VanDerWaalsContact CE2-CD 3.48Å; Y257-E261 HydrophobicContact CE2-CG 4.35Å; Y257-E261 WeakPolarHBondContact CE2-OE2 3.27Å; Y257-E261 WeakPolarHBondContact O-CB 3.38Å; Y257-E261 PolarHBondContact O-N 3.09Å; Y257-K262 HydrophobicContact CD1-CG 4.32Å; Y257-K262 HydrophobicContact CE1-CD 4.37Å; Y257-K262 HydrophobicContact CE1-CG 3.81Å; Y257-K262 PolarHBondContact O-N 3.09Å; Y257-K262 WeakPolarHBondContact OH-CE 3.37Å; Y257-K262 PolarHBondContact OH-NZ 3.24Å
258L86.4Confident90.2Very high0 Ų019 Ų190%010%0.098CC..Iπ-helixtrans-63.5-43.4178.6-72.4175.2000111.4L204 A254 L255 D256 K262 N263 V264 Y266L204-L258 HydrophobicContact CD1-CD1 4.37Å; L204-L258 HydrophobicContact CD1-CD2 3.76Å; L204-L258 HydrophobicContact CD1-CG 3.97Å; L204-L258 HydrophobicContact CD2-CD1 4.24Å; A254-L258 WeakPolarHBondContact O-CG 3.49Å; A254-L258 PolarHBondContact O-N 2.83Å; A254-L258 VanDerWaalsContact O-N 3.17Å; L255-L258 HydrophobicContact CD2-CD1 4.46Å; L255-L258 PolarHBondContact O-N 2.95Å; L255-L258 VanDerWaalsContact O-N 3.1Å; D256-L258 PolarHBondContact O-N 3.43Å; L258-K262 HydrophobicContact CD2-CG 4.5Å; L258-K262 CarbonylContact O-C 3.57Å; L258-K262 WeakPolarHBondContact O-CA 3.42Å; L258-K262 WeakPolarHBondContact O-CB 3.36Å; L258-K262 PolarHBondContact O-N 2.88Å; L258-N263 PolarHBondContact O-N 2.97Å; L258-V264 CarbonylContact C-O 3.57Å; L258-V264 HydrophobicContact CB-CB 4.45Å; L258-V264 HydrophobicContact CD2-CB 4.37Å; L258-V264 HydrophobicContact CD2-CG1 4.36Å; L258-V264 PolarHBondContact O-N 3.47Å; L258-Y266 HydrophobicContact CD1-CD2 4.49Å
259H87.2Confident89.9Confident0 Ų019.3 Ų19.30%010%0.099CC..Iπ-helixtrans-69.1-52.7-178.4-72.4-171.8000112.2L255 D256 N263 V264 R322 D325 W326 D392L255-H259 WeakPolarHBondContact O-CB 3.4Å; L255-H259 PolarHBondContact O-CD2 3.41Å; L255-H259 VanDerWaalsContact O-CG 3.31Å; L255-H259 PolarHBondContact O-N 3.41Å; D256-H259 PolarHBondContact O-N 2.87Å; H259-N263 WeakPolarHBondContact O-CA 3.5Å; H259-N263 PolarHBondContact O-N 3.28Å; H259-V264 PolarHBondContact CD2-O 2.82Å; H259-V264 VanDerWaalsContact CD2-O 3.27Å; H259-R322 HydrophobicContact CB-CG 4.49Å; H259-R322 PolarHBondContact CE1-O 3.49Å; H259-D325 IonicContact CD2-OD2 3.71Å; H259-D325 IonicContact NE2-OD2 3.49Å; H259-D325 PolarHBondContact NE2-OD2 2.97Å; H259-W326 AromaticContact CE1-CE2 3.78Å; H259-W326 AromaticContact CE1-CZ2 3.65Å; H259-W326 AromaticContact CE1-NE1 3.97Å; H259-W326 AromaticContact ND1-CE2 3.96Å; H259-W326 AromaticContact ND1-CZ2 3.52Å; H259-D392 WeakPolarHBondContact CB-OD2 3.44Å; H259-D392 IonicContact CE1-OD1 3.98Å; H259-D392 IonicContact CE1-OD2 2.67Å; H259-D392 IonicContact CG-OD2 3.8Å; H259-D392 IonicContact ND1-OD1 2.77Å; H259-D392 PolarHBondContact ND1-OD1 3.23Å; H259-D392 IonicContact ND1-OD2 2.8Å; H259-D392 PolarHBondContact ND1-OD2 3.19Å
260S86.3Confident89.6Confident65 Ų6520.5 Ų20.546%0.45511%0.105SC..Iπ-helixtrans-82.9-45-170.466.70000113.2D256D256-S260 VanDerWaalsContact O-CB 3.29Å; D256-S260 WeakPolarHBondContact O-CB 3.45Å; D256-S260 PolarHBondContact O-N 2.91Å; D256-S260 PolarHBondContact O-OG 2.98Å
261E85.3Confident89.2Confident119 Ų11920.4 Ų20.456%0.55610%0.104SC*.Iπ-helixtrans-90.4-31.8-176.3-60.4-167.3-16300112.9Y257Y257-E261 HydrophobicContact CD2-CB 4.2Å; Y257-E261 HydrophobicContact CD2-CG 4.04Å; Y257-E261 WeakPolarHBondContact CD2-OE2 3.43Å; Y257-E261 HydrophobicContact CE2-CB 4.27Å; Y257-E261 VanDerWaalsContact CE2-CD 3.48Å; Y257-E261 HydrophobicContact CE2-CG 4.35Å; Y257-E261 WeakPolarHBondContact CE2-OE2 3.27Å; Y257-E261 WeakPolarHBondContact O-CB 3.38Å; Y257-E261 PolarHBondContact O-N 3.09Å
262K79.5Confident88.7Confident67 Ų6723.5 Ų23.529%0.29112%0.119SC..Iπ-helixtrans-105.4-16.7-175.5-53.4-61.3166.3-174.30114.3N198 Y257 L258 V264N198-K262 WeakPolarHBondContact O-CE 3.38Å; N198-K262 PolarHBondContact O-NZ 2.86Å; Y257-K262 HydrophobicContact CD1-CG 4.32Å; Y257-K262 HydrophobicContact CE1-CD 4.37Å; Y257-K262 HydrophobicContact CE1-CG 3.81Å; Y257-K262 PolarHBondContact O-N 3.09Å; Y257-K262 WeakPolarHBondContact OH-CE 3.37Å; Y257-K262 PolarHBondContact OH-NZ 3.24Å; L258-K262 HydrophobicContact CD2-CG 4.5Å; L258-K262 CarbonylContact O-C 3.57Å; L258-K262 WeakPolarHBondContact O-CA 3.42Å; L258-K262 WeakPolarHBondContact O-CB 3.36Å; L258-K262 PolarHBondContact O-N 2.88Å; K262-V264 HydrophobicContact CB-CB 4.11Å; K262-V264 HydrophobicContact CB-CG2 3.77Å; K262-V264 PolarHBondContact O-N 3.02Å
263N77.4Confident88.4Confident41 Ų4124.1 Ų24.122%0.21912%0.122CC..  trans51.841.4-170.8-60.7-80.4000111.5L258 H259 G293 I294 R322L258-N263 PolarHBondContact O-N 2.97Å; H259-N263 WeakPolarHBondContact O-CA 3.5Å; H259-N263 PolarHBondContact O-N 3.28Å; N263-G293 PolarHBondContact O-N 3.04Å; N263-G293 VanDerWaalsContact O-N 3.09Å; N263-I294 PolarHBondContact O-N 2.97Å; N263-I294 VanDerWaalsContact O-N 3.09Å; N263-R322 PolarHBondContact OD1-NH2 3.47Å
264V77.8Confident88.3Confident3 Ų323.5 Ų23.52%0.01812%0.118CC..EExtended strand (participates in β ladder)trans-114.6135.2-179.7171.90000108.9V195 L258 H259 K262 C290 K291 E292V195-V264 HydrophobicContact CG1-CG1 4.4Å; V195-V264 HydrophobicContact CG2-CG1 4.37Å; V195-V264 HydrophobicContact CG2-CG2 4.26Å; L258-V264 CarbonylContact C-O 3.57Å; L258-V264 HydrophobicContact CB-CB 4.45Å; L258-V264 HydrophobicContact CD2-CB 4.37Å; L258-V264 HydrophobicContact CD2-CG1 4.36Å; L258-V264 PolarHBondContact O-N 3.47Å; H259-V264 PolarHBondContact CD2-O 2.82Å; H259-V264 VanDerWaalsContact CD2-O 3.27Å; K262-V264 HydrophobicContact CB-CB 4.11Å; K262-V264 HydrophobicContact CB-CG2 3.77Å; K262-V264 PolarHBondContact O-N 3.02Å; V264-C290 HydrophobicContact CG1-CB 3.88Å; V264-K291 VanDerWaalsContact CA-O 3.27Å; V264-K291 WeakPolarHBondContact CA-O 3.26Å; V264-E292 HydrophobicContact CG2-CB 4.42Å; V264-E292 HydrophobicContact CG2-CG 3.89Å
265V81.2Confident88.1Confident0 Ų024.6 Ų24.60%012%0.123CC..EExtended strand (participates in β ladder)trans-105.2132.9167.4-172.10000108.6R267 C290 K291 I294 M300 R322 V324 D325V265-R267 HydrophobicContact CB-CG 4.31Å; V265-R267 HydrophobicContact CG1-CG 3.85Å; V265-C290 CarbonylContact O-C 3.51Å; V265-C290 WeakPolarHBondContact O-CA 3.44Å; V265-K291 PolarHBondContact N-O 3.19Å; V265-K291 PolarHBondContact O-N 3.41Å; V265-I294 HydrophobicContact CG2-CB 4.03Å; V265-I294 HydrophobicContact CG2-CG1 3.98Å; V265-I294 HydrophobicContact CG2-CG2 3.96Å; V265-M300 HydrophobicContact CB-CE 3.66Å; V265-M300 HydrophobicContact CG1-CE 3.57Å; V265-M300 HydrophobicContact CG2-CE 3.82Å; V265-R322 HydrophobicContact CG2-CB 4.48Å; V265-R322 HydrophobicContact CG2-CG 3.89Å; V265-V324 HydrophobicContact CG1-CG2 3.6Å; V265-D325 VanDerWaalsContact CG1-OD2 3.29Å; V265-D325 WeakPolarHBondContact CG1-OD2 3.44Å
266Y85.1Confident88.1Confident1 Ų124.6 Ų24.60%0.00412%0.123CC..  trans-78.1-44.4-170.4179.2-111.7000112.9L258 D268 L269 N273 I284 T285 D286 F287 D325L258-Y266 HydrophobicContact CD1-CD2 4.49Å; Y266-D268 HydrophobicContact CE1-CB 4.4Å; Y266-D268 VanDerWaalsContact CE1-O 3.27Å; Y266-D268 WeakPolarHBondContact CE1-O 3.48Å; Y266-D268 PolarHBondContact O-N 2.9Å; Y266-D268 VanDerWaalsContact O-N 3.1Å; Y266-L269 HydrophobicContact CD1-CB 4.05Å; Y266-L269 HydrophobicContact CD1-CD1 4.07Å; Y266-L269 HydrophobicContact CE1-CB 4.19Å; Y266-L269 HydrophobicContact CE1-CD1 3.98Å; Y266-N273 VanDerWaalsContact OH-CB 3.32Å; Y266-N273 WeakPolarHBondContact OH-CB 3.25Å; Y266-N273 PolarHBondContact OH-ND2 2.8Å; Y266-I284 HydrophobicContact CD2-CG2 4.33Å; Y266-I284 HydrophobicContact CE1-CG2 3.9Å; Y266-I284 HydrophobicContact CE2-CG2 3.67Å; Y266-I284 VanDerWaalsContact CZ-CG2 3.44Å; Y266-T285 PolarHBondContact OH-O 2.66Å; Y266-D286 WeakPolarHBondContact CE2-O 3Å; Y266-D286 PolarHBondContact OH-O 3.26Å; Y266-F287 HydrophobicContact CD2-CD1 4.01Å; Y266-F287 HydrophobicContact CD2-CE1 4.24Å; Y266-F287 AromaticContact CE2-CD1 3.95Å; Y266-F287 HydrophobicContact CE2-CD1 3.95Å; Y266-F287 HydrophobicContact CE2-CE1 4.15Å; Y266-F287 HydrophobicContact CE2-CG 4.47Å; Y266-D325 WeakPolarHBondContact CB-OD2 3.38Å; Y266-D325 PolarHBondContact N-OD2 2.77Å
267R84Confident87.9Confident24 Ų2423.1 Ų23.19%0.09112%0.115CC..  trans67.2-10172.2-55.4-167.8-68.2178.13.1118.6V265 L289 M300 C304 Y320 V324 D325V265-R267 HydrophobicContact CB-CG 4.31Å; V265-R267 HydrophobicContact CG1-CG 3.85Å; R267-L289 PolarHBondContact NE-O 3.04Å; R267-L289 PolarHBondContact NH2-O 2.93Å; R267-M300 VanDerWaalsContact CD-SD 3.52Å; R267-M300 HydrophobicContact CG-CE 4.29Å; R267-M300 HydrophobicContact CG-SD 4.36Å; R267-C304 VanDerWaalsContact CZ-SG 3.56Å; R267-Y320 HydrophobicContact CG-CE2 4.42Å; R267-Y320 PolarHBondContact NH1-OH 2.77Å; R267-V324 HydrophobicContact CG-CG2 4.26Å; R267-D325 WeakPolarHBondContact CA-OD1 3.34Å; R267-D325 PolarHBondContact N-OD1 3.26Å
268D86.2Confident87.8Confident9 Ų927.1 Ų27.15%0.04813%0.133CC..  trans-125.240.6-178-160.231.4000112.1Y266 K270 N273 L289Y266-D268 HydrophobicContact CE1-CB 4.4Å; Y266-D268 VanDerWaalsContact CE1-O 3.27Å; Y266-D268 WeakPolarHBondContact CE1-O 3.48Å; Y266-D268 PolarHBondContact O-N 2.9Å; Y266-D268 VanDerWaalsContact O-N 3.1Å; D268-K270 PolarHBondContact O-N 3.18Å; D268-K270 IonicContact OD1-NZ 3.37Å; D268-K270 PolarHBondContact OD1-NZ 2.88Å; D268-K270 IonicContact OD2-NZ 3.93Å; D268-K270 PolarHBondContact OD2-NZ 3.44Å; D268-N273 VanDerWaalsContact CG-ND2 3.28Å; D268-N273 PolarHBondContact O-ND2 3.12Å; D268-N273 PolarHBondContact OD2-ND2 3.5Å; D268-L289 HydrophobicContact CB-CB 4.12Å; D268-L289 HydrophobicContact CB-CD1 3.88Å; D268-L289 HydrophobicContact CB-CG 4.41Å
269L92.4Very high88.1Confident5 Ų529.8 Ų29.83%0.02615%0.147CC..  trans-74.1110.9178.6-160.377.6000110.8I251 L255 Y266 L274 I284 Y309 L329 V332I251-L269 HydrophobicContact CG2-CD1 4.05Å; I251-L269 HydrophobicContact CG2-CD2 3.95Å; L255-L269 HydrophobicContact CD1-CD2 4.21Å; Y266-L269 HydrophobicContact CD1-CB 4.05Å; Y266-L269 HydrophobicContact CD1-CD1 4.07Å; Y266-L269 HydrophobicContact CE1-CB 4.19Å; Y266-L269 HydrophobicContact CE1-CD1 3.98Å; L269-L274 HydrophobicContact CD1-CD2 4.23Å; L269-I284 HydrophobicContact CD1-CD1 4.44Å; L269-Y309 WeakPolarHBondContact O-CD1 3.39Å; L269-L329 HydrophobicContact CD2-CB 4.03Å; L269-V332 HydrophobicContact CD2-CG2 4.46Å; L269-V332 HydrophobicContact CG-CG2 4.29Å
270K92.1Very high88.5Confident26 Ų2629.8 Ų29.811%0.11315%0.147CC..SBendtrans-153.2163.7179.463.7-172.8177.5-138.60110.9D268 E272 N273 L274 T306 Y309D268-K270 PolarHBondContact O-N 3.18Å; D268-K270 IonicContact OD1-NZ 3.37Å; D268-K270 PolarHBondContact OD1-NZ 2.88Å; D268-K270 IonicContact OD2-NZ 3.93Å; D268-K270 PolarHBondContact OD2-NZ 3.44Å; K270-E272 WeakPolarHBondContact CB-OE2 3.29Å; K270-E272 HydrophobicContact CD-CB 4.48Å; K270-E272 HydrophobicContact CG-CB 4.3Å; K270-E272 VanDerWaalsContact CG-OE2 3.29Å; K270-E272 WeakPolarHBondContact CG-OE2 3.24Å; K270-E272 PolarHBondContact O-N 3.41Å; K270-N273 WeakPolarHBondContact CE-ND2 3.42Å; K270-N273 WeakPolarHBondContact CE-OD1 3.41Å; K270-N273 HydrophobicContact CG-CB 4.11Å; K270-N273 PolarHBondContact O-N 3.15Å; K270-N273 VanDerWaalsContact O-N 3.13Å; K270-L274 WeakPolarHBondContact O-CG 3.19Å; K270-T306 WeakPolarHBondContact CD-OG1 3.42Å; K270-T306 PolarHBondContact NZ-OG1 2.64Å; K270-T306 VanDerWaalsContact NZ-OG1 3.13Å; K270-Y309 HydrophobicContact CB-CD1 3.71Å; K270-Y309 HydrophobicContact CB-CD2 3.96Å; K270-Y309 HydrophobicContact CB-CE1 3.6Å; K270-Y309 HydrophobicContact CB-CE2 3.83Å; K270-Y309 HydrophobicContact CB-CG 3.89Å
271L91.8Very high89.1Confident0 Ų027.2 Ų27.20%013%0.128CC..G310 helixtrans-63.3-27.6-175-70.7-179000113.8L229 F230 L233 N273 L274 V332 E335 M336L229-L271 HydrophobicContact CD2-CD2 4.02Å; L229-L271 HydrophobicContact CG-CD2 4.37Å; F230-L271 HydrophobicContact CB-CB 3.89Å; F230-L271 HydrophobicContact CD2-CB 4.34Å; F230-L271 HydrophobicContact CD2-CD1 4.38Å; F230-L271 PolarHBondContact N-O 3.37Å; L233-L271 HydrophobicContact CD2-CD1 3.42Å; L233-L271 VanDerWaalsContact CD2-CD1 3.42Å; L271-N273 VanDerWaalsContact C-N 3.33Å; L271-L274 PolarHBondContact O-N 2.94Å; L271-V332 HydrophobicContact CD2-CG1 3.96Å; L271-E335 HydrophobicContact CD1-CB 4.24Å; L271-E335 HydrophobicContact CD1-CG 3.8Å; L271-E335 WeakPolarHBondContact CD1-OE2 3.49Å; L271-M336 HydrophobicContact CD2-CG 4.19Å
272E88.4Confident89.7Confident65 Ų6521.6 Ų21.630%0.30410%0.102SC..G310 helixtrans-71.5-28.7178.6-56.793.7141.200112.1K270 L274K270-E272 WeakPolarHBondContact CB-OE2 3.29Å; K270-E272 HydrophobicContact CD-CB 4.48Å; K270-E272 HydrophobicContact CG-CB 4.3Å; K270-E272 VanDerWaalsContact CG-OE2 3.29Å; K270-E272 WeakPolarHBondContact CG-OE2 3.24Å; K270-E272 PolarHBondContact O-N 3.41Å; E272-L274 VanDerWaalsContact C-N 3.31Å
273N91.6Very high90.5Very high12 Ų1218.9 Ų18.96%0.0649%0.09CC..G310 helixtrans-91.35.6177.9-70.8-3.3000113Y266 D268 K270 L271 T285Y266-N273 VanDerWaalsContact OH-CB 3.32Å; Y266-N273 WeakPolarHBondContact OH-CB 3.25Å; Y266-N273 PolarHBondContact OH-ND2 2.8Å; D268-N273 VanDerWaalsContact CG-ND2 3.28Å; D268-N273 PolarHBondContact O-ND2 3.12Å; D268-N273 PolarHBondContact OD2-ND2 3.5Å; K270-N273 WeakPolarHBondContact CE-ND2 3.42Å; K270-N273 WeakPolarHBondContact CE-OD1 3.41Å; K270-N273 HydrophobicContact CG-CB 4.11Å; K270-N273 PolarHBondContact O-N 3.15Å; K270-N273 VanDerWaalsContact O-N 3.13Å; L271-N273 VanDerWaalsContact C-N 3.33Å; N273-T285 PolarHBondContact O-N 3Å; N273-T285 PolarHBondContact O-OG1 3.2Å
274L96Very high91.3Very high0 Ų017 Ų170%08%0.08CC..EExtended strand (participates in β ladder)trans-110.1114.3176.2-64.7173.1000108.7L229 I251 L269 K270 L271 E272 I282 I284 V332L229-L274 HydrophobicContact CB-CB 3.93Å; L229-L274 WeakPolarHBondContact CB-O 3.29Å; L229-L274 HydrophobicContact CD2-CB 4.11Å; L229-L274 HydrophobicContact CD2-CD1 4.04Å; L229-L274 PolarHBondContact N-O 3.48Å; I251-L274 HydrophobicContact CD1-CD1 3.68Å; I251-L274 HydrophobicContact CD1-CD2 4.09Å; I251-L274 HydrophobicContact CG1-CD2 4.04Å; L269-L274 HydrophobicContact CD1-CD2 4.23Å; K270-L274 WeakPolarHBondContact O-CG 3.19Å; L271-L274 PolarHBondContact O-N 2.94Å; E272-L274 VanDerWaalsContact C-N 3.31Å; L274-I282 HydrophobicContact CD2-CG2 4Å; L274-I284 HydrophobicContact CD2-CG1 3.83Å; L274-V332 HydrophobicContact CD1-CG1 3.69Å; L274-V332 HydrophobicContact CD1-CG2 4.33Å
275M94.9Very high91.8Very high23 Ų2318 Ų1811%0.1139%0.086CC..EExtended strand (participates in β ladder)trans-110.2161.5175-60.8-167.977.700111A224 G227 E228 I282 K283 T285 F432A224-M275 HydrophobicContact CB-CB 3.85Å; A224-M275 HydrophobicContact CB-CE 4.44Å; A224-M275 HydrophobicContact CB-SD 4.26Å; A224-M275 WeakPolarHBondContact O-CE 3.15Å; G227-M275 CarbonylContact O-C 3.4Å; G227-M275 WeakPolarHBondContact O-CA 3.4Å; E228-M275 HydrophobicContact CG-CE 4.42Å; E228-M275 HydrophobicContact CG-CG 4.38Å; M275-I282 CarbonylContact O-C 3.47Å; M275-I282 WeakPolarHBondContact O-CA 3.37Å; M275-K283 HydrophobicContact CB-CB 4.46Å; M275-K283 PolarHBondContact N-O 2.83Å; M275-K283 PolarHBondContact O-N 3.08Å; M275-T285 HydrophobicContact CB-CG2 4.36Å; M275-T285 HydrophobicContact CG-CG2 3.81Å; M275-T285 HydrophobicContact SD-CG2 3.71Å; M275-F432 HydrophobicContact CE-CE1 3.82Å; M275-F432 HydrophobicContact CE-CZ 3.8Å
276L95.8Very high91.7Very high0 Ų021 Ų210%010%0.102CC..EExtended strand (participates in β ladder)trans-101.8138.8167.8-61.3-177.8000110.8G226 G227 L229 Y247 H281 I282 F419 P421G226-L276 WeakPolarHBondContact CA-O 3.28Å; G226-L276 PolarHBondContact N-O 2.97Å; G227-L276 PolarHBondContact O-N 3.48Å; L229-L276 HydrophobicContact CD1-CD1 4.34Å; L229-L276 HydrophobicContact CD1-CD2 4.13Å; L229-L276 HydrophobicContact CD1-CG 4.26Å; Y247-L276 HydrophobicContact CD1-CD2 4.33Å; Y247-L276 HydrophobicContact CE1-CD2 3.72Å; L276-H281 CarbonylContact C-O 3.53Å; L276-H281 WeakPolarHBondContact CA-O 3.42Å; L276-I282 HydrophobicContact CD2-CD1 3.94Å; L276-F419 HydrophobicContact CD1-CD1 3.74Å; L276-F419 HydrophobicContact CD1-CE1 3.95Å; L276-P421 HydrophobicContact CB-CG 4.19Å; L276-P421 HydrophobicContact CD1-CG 4.36Å
277D93Very high91Very high13 Ų1321.1 Ų21.17%0.0710%0.103CC..  trans-74.8176.8165.175.912.2000111.4D279 G280 H281 K283 K413 P421D277-D279 PolarHBondContact O-N 3.13Å; D277-D279 VanDerWaalsContact O-N 3.14Å; D277-D279 WeakPolarHBondContact OD1-CA 3.29Å; D277-D279 PolarHBondContact OD1-N 2.8Å; D277-G280 PolarHBondContact O-N 2.86Å; D277-G280 PolarHBondContact OD1-N 2.9Å; D277-H281 PolarHBondContact N-O 2.93Å; D277-H281 IonicContact OD1-CD2 3.71Å; D277-H281 PolarHBondContact OD1-N 3.33Å; D277-K283 HydrophobicContact CB-CG 4.23Å; D277-K413 IonicContact OD2-NZ 3.5Å; D277-K413 PolarHBondContact OD2-NZ 3.01Å; D277-P421 WeakPolarHBondContact O-CG 3.24Å
278K91Very high89.9Confident97 Ų9720.5 Ų20.542%0.42210%0.104SC..THydrogen-bonded Turntrans-59.8-23.1-179.966.1175.8-179.158.30114.3N225 V423N225-K278 WeakPolarHBondContact OD1-CA 3.27Å; N225-K278 VanDerWaalsContact OD1-CB 3.29Å; N225-K278 WeakPolarHBondContact OD1-CB 3.44Å; N225-K278 PolarHBondContact OD1-N 3.49Å; K278-V423 HydrophobicContact CB-CG2 4.15Å
279D93.7Very high89Confident55 Ų5521.7 Ų21.729%0.29411%0.11SC..THydrogen-bonded Turntrans-94.9-16.8-176.2-61.1-47.3000111.3D277 P417D277-D279 PolarHBondContact O-N 3.13Å; D277-D279 VanDerWaalsContact O-N 3.14Å; D277-D279 WeakPolarHBondContact OD1-CA 3.29Å; D277-D279 PolarHBondContact OD1-N 2.8Å; D279-P417 WeakPolarHBondContact O-CG 3.46Å
280G95.9Very high88Confident0 Ų021.5 Ų21.50%011%0.109CC..SBendtrans106.512.8175.800000114.6D277 F419D277-G280 PolarHBondContact O-N 2.86Å; D277-G280 PolarHBondContact OD1-N 2.9Å; G280-F419 WeakPolarHBondContact CA-O 3.33Å
281H98.1Very high86.9Confident12 Ų1224.3 Ų24.36%0.05612%0.121CC..  trans-89.3153.3176.2-62.5-89.8000111.7F203 F246 E250 L276 D277 K413 L415 P417F203-H281 HydrophobicContact CD1-CB 4.29Å; F203-H281 HydrophobicContact CE1-CB 4.01Å; F203-H281 AromaticContact CE1-ND1 3.97Å; F246-H281 AromaticContact CZ-ND1 3.71Å; E250-H281 IonicContact OE1-CE1 3.07Å; E250-H281 IonicContact OE1-CG 2.66Å; E250-H281 IonicContact OE1-ND1 3.94Å; E250-H281 PolarHBondContact OE1-ND1 3.14Å; L276-H281 CarbonylContact C-O 3.53Å; L276-H281 WeakPolarHBondContact CA-O 3.42Å; D277-H281 PolarHBondContact N-O 2.93Å; D277-H281 IonicContact OD1-CD2 3.71Å; D277-H281 PolarHBondContact OD1-N 3.33Å; H281-K413 WeakPolarHBondContact CD2-CE 3.33Å; H281-L415 PolarHBondContact CE1-O 3.05Å; H281-P417 WeakPolarHBondContact NE2-CG 3.28Å
282I98.1Very high85.5Confident0 Ų027.2 Ų27.20%014%0.135CC..EExtended strand (participates in β ladder)trans-64.8140.6178.3-68.1-71.2000111.4F203 L229 Y247 E250 I251 L274 M275 L276 I284F203-I282 VanDerWaalsContact CA-O 3.31Å; F203-I282 WeakPolarHBondContact CA-O 3.11Å; F203-I282 WeakPolarHBondContact CB-O 3.21Å; F203-I282 WeakPolarHBondContact CD1-O 3.37Å; L229-I282 HydrophobicContact CD2-CD1 4.02Å; Y247-I282 HydrophobicContact CD1-CD1 3.78Å; Y247-I282 HydrophobicContact CD1-CG1 3.75Å; Y247-I282 HydrophobicContact CG-CD1 4.03Å; Y247-I282 HydrophobicContact CG-CG1 4.25Å; E250-I282 HydrophobicContact CB-CB 4.07Å; E250-I282 HydrophobicContact CB-CG1 4.2Å; E250-I282 WeakPolarHBondContact OE2-CB 3.42Å; E250-I282 WeakPolarHBondContact OE2-CG1 3.44Å; E250-I282 PolarHBondContact OE2-N 3.43Å; I251-I282 HydrophobicContact CG1-CG1 4.47Å; I251-I282 HydrophobicContact CG1-CG2 4.08Å; L274-I282 HydrophobicContact CD2-CG2 4Å; M275-I282 CarbonylContact O-C 3.47Å; M275-I282 WeakPolarHBondContact O-CA 3.37Å; L276-I282 HydrophobicContact CD2-CD1 3.94Å; I282-I284 HydrophobicContact CG2-CG1 4.07Å
283K96.4Very high84.1Confident11 Ų1126.9 Ų26.95%0.04815%0.149CC..EExtended strand (participates in β ladder)trans-129111.3163.3-70.9-67.1-171.4167.80108.4P202 F203 E222 A224 M275 D277P202-K283 WeakPolarHBondContact O-CE 3.46Å; P202-K283 PolarHBondContact O-NZ 3.23Å; F203-K283 CarbonylContact O-C 3.54Å; F203-K283 WeakPolarHBondContact O-CA 3.38Å; E222-K283 WeakPolarHBondContact OE1-CE 3.32Å; E222-K283 IonicContact OE1-NZ 2.76Å; E222-K283 PolarHBondContact OE1-NZ 2.85Å; E222-K283 IonicContact OE2-NZ 2.72Å; E222-K283 PolarHBondContact OE2-NZ 3.45Å; A224-K283 HydrophobicContact CB-CB 4.17Å; A224-K283 HydrophobicContact CB-CG 4.21Å; M275-K283 HydrophobicContact CB-CB 4.46Å; M275-K283 PolarHBondContact N-O 2.83Å; M275-K283 PolarHBondContact O-N 3.08Å; D277-K283 HydrophobicContact CB-CG 4.23Å
284I94.8Very high82.5Confident0 Ų026.8 Ų26.80%015%0.148CC..EExtended strand (participates in β ladder)trans-73.9127.9169.8-52.3-175.2000108F203 L204 T205 A254 Y266 L269 L274 I282F203-I284 PolarHBondContact O-N 2.87Å; L204-I284 HydrophobicContact CD2-CB 3.85Å; L204-I284 HydrophobicContact CD2-CD1 3.97Å; L204-I284 HydrophobicContact CD2-CG1 4.2Å; L204-I284 HydrophobicContact CD2-CG2 4.44Å; T205-I284 WeakPolarHBondContact CB-O 3.33Å; T205-I284 PolarHBondContact N-O 3.05Å; T205-I284 PolarHBondContact OG1-O 2.79Å; A254-I284 HydrophobicContact CB-CD1 3.67Å; Y266-I284 HydrophobicContact CD2-CG2 4.33Å; Y266-I284 HydrophobicContact CE1-CG2 3.9Å; Y266-I284 HydrophobicContact CE2-CG2 3.67Å; Y266-I284 VanDerWaalsContact CZ-CG2 3.44Å; L269-I284 HydrophobicContact CD1-CD1 4.44Å; L274-I284 HydrophobicContact CD2-CG1 3.83Å; I282-I284 HydrophobicContact CG2-CG1 4.07Å
285T87.9Confident80.5Confident26 Ų2633.6 Ų33.616%0.1618%0.178CC..  trans-113.1179.4-178.860.30000111.1T205 Y266 N273 M275T205-T285 WeakPolarHBondContact OG1-CG2 3.2Å; Y266-T285 PolarHBondContact OH-O 2.66Å; N273-T285 PolarHBondContact O-N 3Å; N273-T285 PolarHBondContact O-OG1 3.2Å; M275-T285 HydrophobicContact CB-CG2 4.36Å; M275-T285 HydrophobicContact CG-CG2 3.81Å; M275-T285 HydrophobicContact SD-CG2 3.71Å
286D77.4Confident78.5Confident63 Ų6339 Ų3934%0.33721%0.207SC..  trans48.888172.1-153.29.3000116.4K173 Y266 G288K173-D286 IonicContact NZ-OD1 3.4Å; K173-D286 PolarHBondContact NZ-OD1 3.1Å; Y266-D286 WeakPolarHBondContact CE2-O 3Å; Y266-D286 PolarHBondContact OH-O 3.26Å; D286-G288 VanDerWaalsContact C-N 3.31Å; D286-G288 PolarHBondContact O-N 2.99Å
287F72.4Confident76.2Confident3 Ų342.3 Ų42.31%0.01324%0.242CC..  trans-94.215.6-179.4-59.8-95000112.6E192 V195 L196 L204 Y266 L289 C290E192-F287 HydrophobicContact CG-CB 4.17Å; V195-F287 HydrophobicContact CG1-CB 4.3Å; V195-F287 HydrophobicContact CG1-CD1 3.94Å; V195-F287 HydrophobicContact CG1-CG 4.34Å; L196-F287 HydrophobicContact CD2-CD2 3.37Å; L196-F287 HydrophobicContact CD2-CE2 3.56Å; L196-F287 HydrophobicContact CD2-CG 4.22Å; L196-F287 HydrophobicContact CG-CB 4.49Å; L196-F287 HydrophobicContact CG-CD2 3.9Å; L196-F287 HydrophobicContact CG-CG 4.39Å; L204-F287 HydrophobicContact CB-CZ 4.07Å; L204-F287 HydrophobicContact CD2-CE1 3.97Å; L204-F287 HydrophobicContact CD2-CZ 3.94Å; L204-F287 HydrophobicContact CG-CZ 4.43Å; Y266-F287 HydrophobicContact CD2-CD1 4.01Å; Y266-F287 HydrophobicContact CD2-CE1 4.24Å; Y266-F287 AromaticContact CE2-CD1 3.95Å; Y266-F287 HydrophobicContact CE2-CD1 3.95Å; Y266-F287 HydrophobicContact CE2-CE1 4.15Å; Y266-F287 HydrophobicContact CE2-CG 4.47Å; F287-L289 PolarHBondContact O-N 3.33Å; F287-C290 WeakPolarHBondContact O-CB 3.48Å; F287-C290 PolarHBondContact O-N 3.31Å; F287-C290 VanDerWaalsContact O-N 3.12Å
288G60.6Low73.9Confident11 Ų1143.4 Ų43.411%0.11325%0.252CS..THydrogen-bonded Turntrans-57.2-30.1-177.100000114.3H188 D286H188-G288 WeakPolarHBondContact CB-O 3.49Å; D286-G288 VanDerWaalsContact C-N 3.31Å; D286-G288 PolarHBondContact O-N 2.99Å
289L67.4Low71.8Confident33 Ų3341 Ų4117%0.17325%0.245CC..THydrogen-bonded Turntrans-101.78.2-178.9-60.6-174.1000113.6R267 D268 F287 C304R267-L289 PolarHBondContact NE-O 3.04Å; R267-L289 PolarHBondContact NH2-O 2.93Å; D268-L289 HydrophobicContact CB-CB 4.12Å; D268-L289 HydrophobicContact CB-CD1 3.88Å; D268-L289 HydrophobicContact CB-CG 4.41Å; F287-L289 PolarHBondContact O-N 3.33Å; L289-C304 HydrophobicContact CD1-CB 3.97Å; L289-C304 HydrophobicContact CD2-CB 3.84Å; L289-C304 HydrophobicContact CG-CB 4.41Å
290C71.2Confident69.8Low2 Ų238.7 Ų38.71%0.01423%0.233CC..  trans-62.7154.9177.8-74.10000112.9T191 V195 V264 V265 F287T191-C290 WeakPolarHBondContact CG2-O 3.26Å; V195-C290 HydrophobicContact CG1-CB 4.45Å; V195-C290 HydrophobicContact CG2-CB 3.99Å; V264-C290 HydrophobicContact CG1-CB 3.88Å; V265-C290 CarbonylContact O-C 3.51Å; V265-C290 WeakPolarHBondContact O-CA 3.44Å; F287-C290 WeakPolarHBondContact O-CB 3.48Å; F287-C290 PolarHBondContact O-N 3.31Å; F287-C290 VanDerWaalsContact O-N 3.12Å
291K67.3Low67.6Low84 Ų8441.7 Ų41.737%0.36525%0.246SC..EExtended strand (participates in β ladder)trans-129.3117.3173.9-173.367.8176-176.60111.1V264 V265 I294 M300V264-K291 VanDerWaalsContact CA-O 3.27Å; V264-K291 WeakPolarHBondContact CA-O 3.26Å; V265-K291 PolarHBondContact N-O 3.19Å; V265-K291 PolarHBondContact O-N 3.41Å; K291-I294 HydrophobicContact CG-CD1 3.97Å; K291-I294 HydrophobicContact CG-CG1 4.12Å; K291-M300 HydrophobicContact CB-SD 3.95Å; K291-M300 HydrophobicContact CG-SD 3.97Å
292E64.3Low65.5Low61 Ų6143.3 Ų43.329%0.28526%0.257SS..EExtended strand (participates in β ladder)trans-82.8160.5175-61.6175.2105.900112.1T191 R194 V195 V264T191-E292 HydrophobicContact CG2-CG 4.41Å; R194-E292 IonicContact CZ-OE2 2.78Å; R194-E292 IonicContact NE-OE2 3.34Å; R194-E292 PolarHBondContact NE-OE2 2.7Å; R194-E292 IonicContact NH2-OE2 3.83Å; R194-E292 PolarHBondContact NH2-OE2 2.74Å; V195-E292 HydrophobicContact CG2-CG 3.76Å; V264-E292 HydrophobicContact CG2-CB 4.42Å; V264-E292 HydrophobicContact CG2-CG 3.89Å
293G57.3Low63.4Low58 Ų5845.5 Ų45.560%0.59827%0.267SS*.  trans84.516169.400000114.8N263 K295N263-G293 PolarHBondContact O-N 3.04Å; N263-G293 VanDerWaalsContact O-N 3.09Å; G293-K295 PolarHBondContact O-N 2.85Å
294I58.5Low61.7Low10 Ų1045.7 Ų45.75%0.05127%0.269CS..  trans-87.787.8179.1-53.2-60.4000108.9N263 V265 K291 A298 M300 R322N263-I294 PolarHBondContact O-N 2.97Å; N263-I294 VanDerWaalsContact O-N 3.09Å; V265-I294 HydrophobicContact CG2-CB 4.03Å; V265-I294 HydrophobicContact CG2-CG1 3.98Å; V265-I294 HydrophobicContact CG2-CG2 3.96Å; K291-I294 HydrophobicContact CG-CD1 3.97Å; K291-I294 HydrophobicContact CG-CG1 4.12Å; I294-A298 HydrophobicContact CG2-CB 4.27Å; I294-M300 HydrophobicContact CD1-CG 4.47Å; I294-M300 HydrophobicContact CD1-SD 4.46Å; I294-R322 HydrophobicContact CG2-CG 4.43Å; I294-R322 PolarHBondContact O-NH2 2.96Å
295K55.4Low60.1Low143 Ų14346.9 Ų46.962%0.62228%0.282SS*.  trans-87.9154.8169.5-68.9-173.2178.6-176.60110.4G293 G297 A298G293-K295 PolarHBondContact O-N 2.85Å; K295-G297 PolarHBondContact O-N 3.37Å; K295-A298 WeakPolarHBondContact O-CA 3.4Å; K295-A298 WeakPolarHBondContact O-CB 3.44Å; K295-A298 PolarHBondContact O-N 2.83Å
296D52.9Low59.4Low137 Ų13747.2 Ų47.273%0.73328%0.284SS*.THydrogen-bonded Turntrans-29.1115-171.7-50.8-37.6000115.1A298 R322D296-A298 VanDerWaalsContact C-N 3.3Å; D296-A298 PolarHBondContact O-N 3.04Å; D296-R322 IonicContact OD1-CZ 3.84Å; D296-R322 IonicContact OD1-NH1 3.49Å; D296-R322 PolarHBondContact OD1-NH1 3.07Å; D296-R322 IonicContact OD1-NH2 2.78Å; D296-R322 PolarHBondContact OD1-NH2 2.99Å
297G46.4Very low59.7Low70 Ų7045.6 Ų45.672%0.72228%0.277SS*.THydrogen-bonded Turntrans80-3-179.500000116.1K295K295-G297 PolarHBondContact O-N 3.37Å
298A44.6Very low60.4Low35 Ų3547.3 Ų47.329%0.28929%0.285SS..  trans-69.1144.9174.900000111.8I294 K295 D296I294-A298 HydrophobicContact CG2-CB 4.27Å; K295-A298 WeakPolarHBondContact O-CA 3.4Å; K295-A298 WeakPolarHBondContact O-CB 3.44Å; K295-A298 PolarHBondContact O-N 2.83Å; D296-A298 VanDerWaalsContact C-N 3.3Å; D296-A298 PolarHBondContact O-N 3.04Å
299T46.2Very low61.9Low46 Ų4647.7 Ų47.728%0.28228%0.283SS..  trans-125.7159.2-170.757.70000112.6T50 D319 Y320T50-T299 HydrophobicContact CG2-CG2 4Å; T299-D319 VanDerWaalsContact CB-CG 3.47Å; T299-D319 WeakPolarHBondContact CB-OD1 3.49Å; T299-D319 HydrophobicContact CG2-CB 3.66Å; T299-D319 WeakPolarHBondContact OG1-CB 3.35Å; T299-D319 PolarHBondContact OG1-OD1 3.2Å; T299-D319 PolarHBondContact OG1-OD2 2.99Å; T299-Y320 CarbonylContact C-O 3.48Å; T299-Y320 WeakPolarHBondContact CA-O 3.39Å
300M53.5Low62.9Low7 Ų746.5 Ų46.53%0.03428%0.277CS..BIsolated β-bridgetrans-135.2164.1-176.639.7177.8168.500111.5V265 R267 K291 I294 D319 Y320 G321 V324V265-M300 HydrophobicContact CB-CE 3.66Å; V265-M300 HydrophobicContact CG1-CE 3.57Å; V265-M300 HydrophobicContact CG2-CE 3.82Å; R267-M300 VanDerWaalsContact CD-SD 3.52Å; R267-M300 HydrophobicContact CG-CE 4.29Å; R267-M300 HydrophobicContact CG-SD 4.36Å; K291-M300 HydrophobicContact CB-SD 3.95Å; K291-M300 HydrophobicContact CG-SD 3.97Å; I294-M300 HydrophobicContact CD1-CG 4.47Å; I294-M300 HydrophobicContact CD1-SD 4.46Å; M300-D319 WeakPolarHBondContact O-CA 3.41Å; M300-Y320 HydrophobicContact CB-CE1 4.4Å; M300-Y320 HydrophobicContact CB-CE2 4.28Å; M300-Y320 HydrophobicContact CE-CD2 3.24Å; M300-Y320 HydrophobicContact CE-CE2 3.22Å; M300-Y320 HydrophobicContact CE-CG 4.39Å; M300-Y320 HydrophobicContact CG-CD1 4.25Å; M300-Y320 HydrophobicContact CG-CD2 3.46Å; M300-Y320 VanDerWaalsContact CG-CD2 3.46Å; M300-Y320 HydrophobicContact CG-CE1 4.06Å; M300-Y320 HydrophobicContact CG-CE2 3.27Å; M300-Y320 HydrophobicContact CG-CG 3.94Å; M300-Y320 WeakPolarHBondContact CG-O 3.22Å; M300-Y320 PolarHBondContact N-O 2.67Å; M300-Y320 WeakPolarHBondContact O-CD1 3.34Å; M300-Y320 VanDerWaalsContact O-CE1 3.26Å; M300-Y320 WeakPolarHBondContact O-CE1 3.47Å; M300-Y320 PolarHBondContact O-N 3.43Å; M300-Y320 HydrophobicContact SD-CD2 3.72Å; M300-Y320 HydrophobicContact SD-CE2 3.14Å; M300-Y320 WeakPolarHBondContact SD-CE2 3.42Å; M300-G321 WeakPolarHBondContact CE-O 3.16Å; M300-V324 HydrophobicContact CE-CG2 4.14Å
301K49.6Very low63.8Low63 Ų6346.6 Ų46.627%0.27428%0.277SS..  trans-133.4-2.7-165.5-57.4-174.7-177-170.60115.2P51 L52 N53 F303 D319P51-K301 PolarHBondContact O-NZ 3.18Å; L52-K301 WeakPolarHBondContact O-CE 3.44Å; L52-K301 PolarHBondContact O-NZ 3.41Å; N53-K301 VanDerWaalsContact CA-NZ 3.35Å; K301-F303 PolarHBondContact O-N 3.49Å; K301-D319 WeakPolarHBondContact CE-OD1 3.44Å; K301-D319 IonicContact NZ-OD1 3.31Å
302T52.8Low64.9Low47 Ų4742.9 Ų42.929%0.28826%0.262SS..  trans-78.1124.6-176.6-47.70000109.7C304 Y320T302-C304 PolarHBondContact O-N 2.85Å; T302-Y320 PolarHBondContact O-OH 3.48Å
303F55.1Low65.9Low45 Ų4540.2 Ų40.220%0.19725%0.25CC..  trans-80.6114.1169.4-175.7-84.4000109.5Y18 K301 L310 V314 L315 F352Y18-F303 HydrophobicContact CD1-CB 3.68Å; Y18-F303 AromaticContact CD1-CD1 3.71Å; Y18-F303 HydrophobicContact CD1-CD1 3.71Å; Y18-F303 HydrophobicContact CD1-CE1 4.49Å; Y18-F303 AromaticContact CD1-CG 3.77Å; Y18-F303 HydrophobicContact CD1-CG 3.77Å; Y18-F303 HydrophobicContact CD2-CB 3.23Å; Y18-F303 HydrophobicContact CD2-CD1 4.48Å; Y18-F303 HydrophobicContact CD2-CD2 4.01Å; Y18-F303 AromaticContact CD2-CG 3.71Å; Y18-F303 HydrophobicContact CD2-CG 3.71Å; Y18-F303 HydrophobicContact CE1-CB 3.62Å; Y18-F303 HydrophobicContact CE1-CD1 4.2Å; Y18-F303 HydrophobicContact CE1-CG 4.19Å; Y18-F303 HydrophobicContact CE2-CB 3.17Å; Y18-F303 HydrophobicContact CE2-CG 4.14Å; Y18-F303 HydrophobicContact CG-CB 3.48Å; Y18-F303 VanDerWaalsContact CG-CB 3.48Å; Y18-F303 AromaticContact CG-CD1 3.85Å; Y18-F303 HydrophobicContact CG-CD1 3.85Å; Y18-F303 AromaticContact CG-CD2 3.88Å; Y18-F303 HydrophobicContact CG-CD2 3.88Å; Y18-F303 AromaticContact CG-CG 3.49Å; Y18-F303 HydrophobicContact CG-CG 3.49Å; Y18-F303 VanDerWaalsContact CG-CG 3.49Å; K301-F303 PolarHBondContact O-N 3.49Å; F303-L310 HydrophobicContact CE1-CD1 4.03Å; F303-L310 HydrophobicContact CE2-CD1 3.8Å; F303-L310 HydrophobicContact CZ-CD1 3.46Å; F303-L310 VanDerWaalsContact CZ-CD1 3.46Å; F303-V314 HydrophobicContact CD2-CG1 4.39Å; F303-L315 HydrophobicContact CE2-CD2 3.73Å; F303-L315 HydrophobicContact CZ-CD2 4.16Å; F303-F352 HydrophobicContact CZ-CZ 4.42Å
304C59.1Low67.1Low15 Ų1537.9 Ų37.910%0.10122%0.224CC..  trans-154.8150.3178.458.80000110.3R267 L289 T302 L310R267-C304 VanDerWaalsContact CZ-SG 3.56Å; L289-C304 HydrophobicContact CD1-CB 3.97Å; L289-C304 HydrophobicContact CD2-CB 3.84Å; L289-C304 HydrophobicContact CG-CB 4.41Å; T302-C304 PolarHBondContact O-N 2.85Å; C304-L310 WeakPolarHBondContact O-CD2 3.47Å
305G61.4Low68.1Low26 Ų2637.5 Ų37.527%0.26822%0.222SC..SBendtrans123.6174179.600000112.8
306T73.9Confident68.8Low32 Ų3233.5 Ų33.520%0.19621%0.205CC..  trans-78126175.3-61.30000109.9K270 E308 Y309 L310K270-T306 WeakPolarHBondContact CD-OG1 3.42Å; K270-T306 PolarHBondContact NZ-OG1 2.64Å; K270-T306 VanDerWaalsContact NZ-OG1 3.13Å; T306-E308 VanDerWaalsContact C-N 3.27Å; T306-E308 VanDerWaalsContact CG2-OE2 3.22Å; T306-E308 WeakPolarHBondContact CG2-OE2 3.48Å; T306-E308 PolarHBondContact O-N 3.06Å; T306-E308 VanDerWaalsContact O-N 3.07Å; T306-Y309 HydrophobicContact CG2-CD2 3.82Å; T306-Y309 HydrophobicContact CG2-CE2 4.22Å; T306-Y309 PolarHBondContact O-N 3.11Å; T306-L310 PolarHBondContact O-N 3.15Å
307P83.2Confident69.3Low30 Ų3028 Ų2820%0.19518%0.176CC..G310 helixtrans-46.6-42.3-171.5-33.237.5000115.9Y309 L310 L351 F352 I355P307-Y309 PolarHBondContact O-N 3.11Å; P307-L310 PolarHBondContact O-N 3.25Å; P307-L351 HydrophobicContact CB-CD2 3.88Å; P307-F352 HydrophobicContact CB-CE1 4.06Å; P307-I355 WeakPolarHBondContact O-CD1 3.13Å
308E88.1Confident70Confident39 Ų3925.7 Ų25.718%0.18215%0.147CC..G310 helixtrans-67.1-19.2-177.5-63.385.4165.900113.5T306 L341 L351T306-E308 VanDerWaalsContact C-N 3.27Å; T306-E308 VanDerWaalsContact CG2-OE2 3.22Å; T306-E308 WeakPolarHBondContact CG2-OE2 3.48Å; T306-E308 PolarHBondContact O-N 3.06Å; T306-E308 VanDerWaalsContact O-N 3.07Å; E308-L341 HydrophobicContact CB-CD1 3.82Å; E308-L341 HydrophobicContact CB-CD2 4.31Å; E308-L341 HydrophobicContact CG-CD1 3.81Å; E308-L351 HydrophobicContact CG-CD2 3.91Å
309Y91.3Very high70.8Confident19 Ų1925 Ų258%0.07514%0.138CC..G310 helixtrans-106-6.4-178.7-65.2-97.3000112.9L269 K270 T306 P307 A311 V331 V332 E335 L341L269-Y309 WeakPolarHBondContact O-CD1 3.39Å; K270-Y309 HydrophobicContact CB-CD1 3.71Å; K270-Y309 HydrophobicContact CB-CD2 3.96Å; K270-Y309 HydrophobicContact CB-CE1 3.6Å; K270-Y309 HydrophobicContact CB-CE2 3.83Å; K270-Y309 HydrophobicContact CB-CG 3.89Å; T306-Y309 HydrophobicContact CG2-CD2 3.82Å; T306-Y309 HydrophobicContact CG2-CE2 4.22Å; T306-Y309 PolarHBondContact O-N 3.11Å; P307-Y309 PolarHBondContact O-N 3.11Å; Y309-A311 PolarHBondContact O-N 3.34Å; Y309-V331 HydrophobicContact CD1-CB 3.96Å; Y309-V331 HydrophobicContact CD1-CG1 3.36Å; Y309-V331 HydrophobicContact CE1-CB 4.45Å; Y309-V331 HydrophobicContact CE1-CG1 3.61Å; Y309-V331 HydrophobicContact CG-CG1 4.08Å; Y309-V332 HydrophobicContact CD1-CG2 4.47Å; Y309-V332 HydrophobicContact CE1-CG2 4.1Å; Y309-E335 PolarHBondContact OH-OE2 3Å; Y309-L341 HydrophobicContact CE1-CD2 4.39Å; Y309-L341 HydrophobicContact CE2-CD2 4.16Å
310L88.4Confident71.8Confident8 Ų823 Ų234%0.04213%0.126CC..  trans-67.2134-177.2-66.3-179.6000111.6F303 C304 T306 P307 V314 L315 W327F303-L310 HydrophobicContact CE1-CD1 4.03Å; F303-L310 HydrophobicContact CE2-CD1 3.8Å; F303-L310 HydrophobicContact CZ-CD1 3.46Å; F303-L310 VanDerWaalsContact CZ-CD1 3.46Å; C304-L310 WeakPolarHBondContact O-CD2 3.47Å; T306-L310 PolarHBondContact O-N 3.15Å; P307-L310 PolarHBondContact O-N 3.25Å; L310-V314 HydrophobicContact CD2-CG1 4.16Å; L310-L315 HydrophobicContact CB-CD2 3.88Å; L310-L315 HydrophobicContact CB-CG 4.15Å; L310-L315 HydrophobicContact CD1-CD2 3.6Å; L310-L315 HydrophobicContact CG-CD2 4.39Å; L310-W327 PolarHBondContact O-NE1 2.87Å; L310-W327 VanDerWaalsContact O-NE1 3.12Å
311A90Very high73Confident3 Ų323.6 Ų23.63%0.02513%0.133CC..  trans-70.4148.5172.800000111Y309 E313 V314 L315 V324 W327Y309-A311 PolarHBondContact O-N 3.34Å; A311-E313 VanDerWaalsContact C-N 3.26Å; A311-E313 HydrophobicContact CB-CG 4.49Å; A311-E313 WeakPolarHBondContact CB-OE2 3.31Å; A311-E313 PolarHBondContact O-N 3.3Å; A311-V314 HydrophobicContact CB-CG2 4.16Å; A311-V314 WeakPolarHBondContact O-CB 3.35Å; A311-V314 PolarHBondContact O-N 2.74Å; A311-L315 PolarHBondContact O-N 3.47Å; A311-V324 HydrophobicContact CB-CB 4.24Å; A311-V324 HydrophobicContact CB-CG1 4.04Å; A311-W327 VanDerWaalsContact CA-CD1 3.47Å; A311-W327 HydrophobicContact CB-CB 3.78Å; A311-W327 HydrophobicContact CB-CD2 4.2Å; A311-W327 HydrophobicContact CB-CG 3.63Å
312P90.9Very high74.8Confident6 Ų622.3 Ų22.34%0.03913%0.127CC..Hα-helixtrans-51.5-42.4179.8-31.739000113.7V314 L315 E316 W327 I355 L356 K380P312-V314 VanDerWaalsContact C-N 3.29Å; P312-V314 PolarHBondContact O-N 3.34Å; P312-L315 WeakPolarHBondContact O-CB 3.38Å; P312-L315 PolarHBondContact O-N 3.24Å; P312-E316 WeakPolarHBondContact O-CG 3.18Å; P312-E316 PolarHBondContact O-N 3.12Å; P312-W327 HydrophobicContact CG-CE3 4.26Å; P312-W327 HydrophobicContact CG-CH2 3.65Å; P312-W327 HydrophobicContact CG-CZ2 4.09Å; P312-W327 HydrophobicContact CG-CZ3 3.74Å; P312-I355 HydrophobicContact CG-CG2 3.97Å; P312-L356 HydrophobicContact CB-CD2 4.01Å; P312-K380 HydrophobicContact CB-CB 4.47Å; P312-K380 HydrophobicContact CG-CB 4.12Å; P312-K380 HydrophobicContact CG-CG 4.31Å
313E84.5Confident76.6Confident6 Ų620.6 Ų20.63%0.02812%0.117CC..Hα-helixtrans-67.6-26.5-179.864.8-87.9-152.700113.6A311 N318 Y320 V324 P382 R385A311-E313 VanDerWaalsContact C-N 3.26Å; A311-E313 HydrophobicContact CB-CG 4.49Å; A311-E313 WeakPolarHBondContact CB-OE2 3.31Å; A311-E313 PolarHBondContact O-N 3.3Å; E313-N318 HydrophobicContact CB-CB 4.48Å; E313-N318 PolarHBondContact O-N 3.37Å; E313-N318 VanDerWaalsContact O-N 3.14Å; E313-Y320 VanDerWaalsContact CG-CB 3.46Å; E313-V324 HydrophobicContact CG-CG1 4.11Å; E313-V324 WeakPolarHBondContact OE1-CG1 3.42Å; E313-P382 HydrophobicContact CB-CG 4.42Å; E313-P382 HydrophobicContact CG-CG 4.35Å; E313-R385 IonicContact OE1-CZ 3.51Å; E313-R385 IonicContact OE1-NH1 2.84Å; E313-R385 PolarHBondContact OE1-NH1 3.2Å; E313-R385 IonicContact OE1-NH2 2.91Å; E313-R385 PolarHBondContact OE1-NH2 3.22Å; E313-R385 IonicContact OE2-CZ 3.99Å; E313-R385 IonicContact OE2-NH1 3.32Å; E313-R385 PolarHBondContact OE2-NH1 2.93Å; E313-R385 IonicContact OE2-NH2 3.98Å; E313-R385 PolarHBondContact OE2-NH2 2.86Å
314V82.5Confident78.3Confident9 Ų919 Ų196%0.05511%0.111CC..Hα-helixtrans-73-40.6173-177.40000109.9F303 L310 A311 P312 E316 D317 Y320 V324F303-V314 HydrophobicContact CD2-CG1 4.39Å; L310-V314 HydrophobicContact CD2-CG1 4.16Å; A311-V314 HydrophobicContact CB-CG2 4.16Å; A311-V314 WeakPolarHBondContact O-CB 3.35Å; A311-V314 PolarHBondContact O-N 2.74Å; P312-V314 VanDerWaalsContact C-N 3.29Å; P312-V314 PolarHBondContact O-N 3.34Å; V314-E316 VanDerWaalsContact C-N 3.27Å; V314-E316 PolarHBondContact O-N 3.27Å; V314-D317 PolarHBondContact O-N 3.12Å; V314-Y320 HydrophobicContact CG1-CE1 4.36Å; V314-Y320 HydrophobicContact CG2-CD1 3.96Å; V314-Y320 HydrophobicContact CG2-CD2 3.89Å; V314-Y320 HydrophobicContact CG2-CE1 4.18Å; V314-Y320 HydrophobicContact CG2-CE2 4.07Å; V314-Y320 HydrophobicContact CG2-CG 3.85Å; V314-V324 HydrophobicContact CG2-CB 4.45Å; V314-V324 HydrophobicContact CG2-CG1 3.7Å
315L79.8Confident80Confident1 Ų118.3 Ų18.31%0.00511%0.106CC..Hα-helixtrans-65-32.1175.2-65.4-178000112.6I19 F303 L310 A311 P312 D317 F352 I355 L356I19-L315 HydrophobicContact CD1-CB 4.28Å; I19-L315 WeakPolarHBondContact CD1-O 3.41Å; F303-L315 HydrophobicContact CE2-CD2 3.73Å; F303-L315 HydrophobicContact CZ-CD2 4.16Å; L310-L315 HydrophobicContact CB-CD2 3.88Å; L310-L315 HydrophobicContact CB-CG 4.15Å; L310-L315 HydrophobicContact CD1-CD2 3.6Å; L310-L315 HydrophobicContact CG-CD2 4.39Å; A311-L315 PolarHBondContact O-N 3.47Å; P312-L315 WeakPolarHBondContact O-CB 3.38Å; P312-L315 PolarHBondContact O-N 3.24Å; L315-D317 PolarHBondContact O-N 3.02Å; L315-F352 HydrophobicContact CD1-CB 4.23Å; L315-F352 HydrophobicContact CD1-CD1 3.85Å; L315-F352 HydrophobicContact CD1-CG 4.32Å; L315-F352 HydrophobicContact CD2-CD1 3.57Å; L315-F352 HydrophobicContact CD2-CE1 3.62Å; L315-F352 HydrophobicContact CD2-CG 4.25Å; L315-F352 HydrophobicContact CD2-CZ 4.34Å; L315-F352 HydrophobicContact CG-CD1 4.37Å; L315-I355 HydrophobicContact CD1-CB 3.75Å; L315-I355 HydrophobicContact CD1-CD1 3.99Å; L315-I355 HydrophobicContact CD1-CG1 4.49Å; L315-I355 HydrophobicContact CD1-CG2 3.48Å; L315-I355 VanDerWaalsContact CD1-CG2 3.48Å; L315-L356 HydrophobicContact CB-CD2 4.2Å; L315-L356 HydrophobicContact CD1-CD2 4.44Å; L315-L356 HydrophobicContact CD1-CG 4.31Å
316E69.8Low81.8Confident59 Ų5917 Ų1728%0.2769%0.094SC..THydrogen-bonded Turntrans-79.70.9-178.3-73.1-167.4155.100114.8R23 P312 V314 N318 L356R23-E316 VanDerWaalsContact NH1-CA 3.31Å; R23-E316 PolarHBondContact NH1-O 2.91Å; P312-E316 WeakPolarHBondContact O-CG 3.18Å; P312-E316 PolarHBondContact O-N 3.12Å; V314-E316 VanDerWaalsContact C-N 3.27Å; V314-E316 PolarHBondContact O-N 3.27Å; E316-N318 HydrophobicContact CB-CB 4.43Å; E316-N318 WeakPolarHBondContact CB-ND2 3.47Å; E316-N318 PolarHBondContact O-N 3.07Å; E316-N318 PolarHBondContact OE2-ND2 2.8Å; E316-L356 HydrophobicContact CG-CD2 3.62Å
317D63.4Low82.9Confident21 Ų2115.6 Ų15.611%0.1129%0.085CC..THydrogen-bonded Turntrans51.231.3-168.4-81.7-24.8000111.5E17 Y18 V314 L315E17-D317 PolarHBondContact N-OD2 3.49Å; Y18-D317 WeakPolarHBondContact CD2-OD1 3.49Å; Y18-D317 WeakPolarHBondContact CE2-OD1 3.21Å; V314-D317 PolarHBondContact O-N 3.12Å; L315-D317 PolarHBondContact O-N 3.02Å
318N61.6Low83.6Confident22 Ų2214.4 Ų14.412%0.1188%0.077CC..  trans-84.6158.2173.5-69-23.4000109L52 E313 E316 Y320L52-N318 HydrophobicContact CD2-CB 4.19Å; E313-N318 HydrophobicContact CB-CB 4.48Å; E313-N318 PolarHBondContact O-N 3.37Å; E313-N318 VanDerWaalsContact O-N 3.14Å; E316-N318 HydrophobicContact CB-CB 4.43Å; E316-N318 WeakPolarHBondContact CB-ND2 3.47Å; E316-N318 PolarHBondContact O-N 3.07Å; E316-N318 PolarHBondContact OE2-ND2 2.8Å; N318-Y320 WeakPolarHBondContact O-CD1 2.97Å; N318-Y320 PolarHBondContact O-N 2.55Å
319D62Low84.1Confident20 Ų2012.5 Ų12.511%0.1077%0.069CC..  trans-55.2118.6163.4-92.3-34.6000110.4L52 T299 M300 K301L52-D319 WeakPolarHBondContact CA-OD2 3.41Å; L52-D319 HydrophobicContact CD2-CB 4.07Å; L52-D319 PolarHBondContact N-OD2 3.2Å; T299-D319 VanDerWaalsContact CB-CG 3.47Å; T299-D319 WeakPolarHBondContact CB-OD1 3.49Å; T299-D319 HydrophobicContact CG2-CB 3.66Å; T299-D319 WeakPolarHBondContact OG1-CB 3.35Å; T299-D319 PolarHBondContact OG1-OD1 3.2Å; T299-D319 PolarHBondContact OG1-OD2 2.99Å; M300-D319 WeakPolarHBondContact O-CA 3.41Å; K301-D319 WeakPolarHBondContact CE-OD1 3.44Å; K301-D319 IonicContact NZ-OD1 3.31Å
320Y67.6Low84.4Confident6 Ų611.6 Ų11.62%0.0247%0.065CC..BIsolated β-bridgetrans-122.6151.6-179.865.3-93000111.9R267 T299 M300 T302 E313 V314 N318 V324R267-Y320 HydrophobicContact CG-CE2 4.42Å; R267-Y320 PolarHBondContact NH1-OH 2.77Å; T299-Y320 CarbonylContact C-O 3.48Å; T299-Y320 WeakPolarHBondContact CA-O 3.39Å; M300-Y320 HydrophobicContact CB-CE1 4.4Å; M300-Y320 HydrophobicContact CB-CE2 4.28Å; M300-Y320 HydrophobicContact CE-CD2 3.24Å; M300-Y320 HydrophobicContact CE-CE2 3.22Å; M300-Y320 HydrophobicContact CE-CG 4.39Å; M300-Y320 HydrophobicContact CG-CD1 4.25Å; M300-Y320 HydrophobicContact CG-CD2 3.46Å; M300-Y320 VanDerWaalsContact CG-CD2 3.46Å; M300-Y320 HydrophobicContact CG-CE1 4.06Å; M300-Y320 HydrophobicContact CG-CE2 3.27Å; M300-Y320 HydrophobicContact CG-CG 3.94Å; M300-Y320 WeakPolarHBondContact CG-O 3.22Å; M300-Y320 PolarHBondContact N-O 2.67Å; M300-Y320 WeakPolarHBondContact O-CD1 3.34Å; M300-Y320 VanDerWaalsContact O-CE1 3.26Å; M300-Y320 WeakPolarHBondContact O-CE1 3.47Å; M300-Y320 PolarHBondContact O-N 3.43Å; M300-Y320 HydrophobicContact SD-CD2 3.72Å; M300-Y320 HydrophobicContact SD-CE2 3.14Å; M300-Y320 WeakPolarHBondContact SD-CE2 3.42Å; T302-Y320 PolarHBondContact O-OH 3.48Å; E313-Y320 VanDerWaalsContact CG-CB 3.46Å; V314-Y320 HydrophobicContact CG1-CE1 4.36Å; V314-Y320 HydrophobicContact CG2-CD1 3.96Å; V314-Y320 HydrophobicContact CG2-CD2 3.89Å; V314-Y320 HydrophobicContact CG2-CE1 4.18Å; V314-Y320 HydrophobicContact CG2-CE2 4.07Å; V314-Y320 HydrophobicContact CG2-CG 3.85Å; N318-Y320 WeakPolarHBondContact O-CD1 2.97Å; N318-Y320 PolarHBondContact O-N 2.55Å; Y320-V324 HydrophobicContact CD2-CB 4.34Å; Y320-V324 HydrophobicContact CD2-CG1 3.41Å; Y320-V324 VanDerWaalsContact CD2-CG1 3.41Å; Y320-V324 HydrophobicContact CD2-CG2 4.08Å; Y320-V324 HydrophobicContact CE2-CG1 4.29Å; Y320-V324 HydrophobicContact CE2-CG2 4.39Å; Y320-V324 HydrophobicContact CG-CG1 3.93Å
321G78.6Confident84.9Confident19 Ų1911.2 Ų11.220%0.1966%0.063CC..  trans-125.5-154.2-174.700000112.7M300 A323 V324M300-G321 WeakPolarHBondContact CE-O 3.16Å; G321-A323 PolarHBondContact O-N 3.16Å; G321-A323 VanDerWaalsContact O-N 3.11Å; G321-V324 WeakPolarHBondContact O-CG2 3.14Å; G321-V324 PolarHBondContact O-N 3.38Å
322R86.2Confident85.3Confident35 Ų3511.1 Ų11.113%0.1326%0.062CC..THydrogen-bonded Turntrans-53.9-28.6177.7-68.2174.2-172.9156.74113.9H259 N263 V265 I294 D296 V324 D325H259-R322 HydrophobicContact CB-CG 4.49Å; H259-R322 PolarHBondContact CE1-O 3.49Å; N263-R322 PolarHBondContact OD1-NH2 3.47Å; V265-R322 HydrophobicContact CG2-CB 4.48Å; V265-R322 HydrophobicContact CG2-CG 3.89Å; I294-R322 HydrophobicContact CG2-CG 4.43Å; I294-R322 PolarHBondContact O-NH2 2.96Å; D296-R322 IonicContact OD1-CZ 3.84Å; D296-R322 IonicContact OD1-NH1 3.49Å; D296-R322 PolarHBondContact OD1-NH1 3.07Å; D296-R322 IonicContact OD1-NH2 2.78Å; D296-R322 PolarHBondContact OD1-NH2 2.99Å; R322-V324 PolarHBondContact O-N 3.21Å; R322-D325 PolarHBondContact O-N 3.1Å; R322-D325 VanDerWaalsContact O-N 3.1Å
323A91.9Very high85.7Confident11 Ų1110.8 Ų10.89%0.0916%0.06CC..Hα-helixtrans-58.5-17.4-179.200000115.4G321 W326 W327 P382 R385G321-A323 PolarHBondContact O-N 3.16Å; G321-A323 VanDerWaalsContact O-N 3.11Å; A323-W326 PolarHBondContact O-N 2.78Å; A323-W327 PolarHBondContact O-N 2.8Å; A323-P382 HydrophobicContact CB-CB 3.83Å; A323-R385 WeakPolarHBondContact O-CD 3.06Å; A323-R385 PolarHBondContact O-NH1 2.77Å
324V90.9Very high86.3Confident11 Ų1110.7 Ų10.77%0.0676%0.06CC..Hα-helixtrans-68.9-33.8176.1-60.10000112.6V265 R267 M300 A311 E313 V314 Y320 G321 R322 W326 W327 G328V265-V324 HydrophobicContact CG1-CG2 3.6Å; R267-V324 HydrophobicContact CG-CG2 4.26Å; M300-V324 HydrophobicContact CE-CG2 4.14Å; A311-V324 HydrophobicContact CB-CB 4.24Å; A311-V324 HydrophobicContact CB-CG1 4.04Å; E313-V324 HydrophobicContact CG-CG1 4.11Å; E313-V324 WeakPolarHBondContact OE1-CG1 3.42Å; V314-V324 HydrophobicContact CG2-CB 4.45Å; V314-V324 HydrophobicContact CG2-CG1 3.7Å; Y320-V324 HydrophobicContact CD2-CB 4.34Å; Y320-V324 HydrophobicContact CD2-CG1 3.41Å; Y320-V324 VanDerWaalsContact CD2-CG1 3.41Å; Y320-V324 HydrophobicContact CD2-CG2 4.08Å; Y320-V324 HydrophobicContact CE2-CG1 4.29Å; Y320-V324 HydrophobicContact CE2-CG2 4.39Å; Y320-V324 HydrophobicContact CG-CG1 3.93Å; G321-V324 WeakPolarHBondContact O-CG2 3.14Å; G321-V324 PolarHBondContact O-N 3.38Å; R322-V324 PolarHBondContact O-N 3.21Å; V324-W326 VanDerWaalsContact C-N 3.26Å; V324-W326 PolarHBondContact O-N 3.44Å; V324-W327 WeakPolarHBondContact O-CB 3.26Å; V324-W327 PolarHBondContact O-N 3.27Å; V324-G328 PolarHBondContact O-N 2.93Å
325D94.1Very high87.1Confident1 Ų111.3 Ų11.31%0.0056%0.062CC..Hα-helixtrans-69.5-31.3178.4-74-11.4000110.6L255 H259 V265 Y266 R267 R322 G328 L329L255-D325 HydrophobicContact CD1-CB 4.13Å; L255-D325 HydrophobicContact CD2-CB 4.08Å; H259-D325 IonicContact CD2-OD2 3.71Å; H259-D325 IonicContact NE2-OD2 3.49Å; H259-D325 PolarHBondContact NE2-OD2 2.97Å; V265-D325 VanDerWaalsContact CG1-OD2 3.29Å; V265-D325 WeakPolarHBondContact CG1-OD2 3.44Å; Y266-D325 WeakPolarHBondContact CB-OD2 3.38Å; Y266-D325 PolarHBondContact N-OD2 2.77Å; R267-D325 WeakPolarHBondContact CA-OD1 3.34Å; R267-D325 PolarHBondContact N-OD1 3.26Å; R322-D325 PolarHBondContact O-N 3.1Å; R322-D325 VanDerWaalsContact O-N 3.1Å; D325-G328 PolarHBondContact O-N 3.18Å; D325-L329 PolarHBondContact O-N 2.83Å
326W98.4Very high88Confident0 Ų011.2 Ų11.20%06%0.061CC..Hα-helixtrans-72.2-32.9173.8-52137.3000113.3V252 L255 H259 A323 V324 L329 G330 L377 G387 D392 A393 I396V252-W326 HydrophobicContact CG2-CZ3 4.36Å; L255-W326 HydrophobicContact CB-CH2 3.63Å; L255-W326 HydrophobicContact CB-CZ3 3.73Å; L255-W326 HydrophobicContact CD1-CE3 3.99Å; L255-W326 HydrophobicContact CD1-CH2 4.32Å; L255-W326 HydrophobicContact CD1-CZ3 3.58Å; L255-W326 HydrophobicContact CG-CZ3 4.32Å; H259-W326 AromaticContact CE1-CE2 3.78Å; H259-W326 AromaticContact CE1-CZ2 3.65Å; H259-W326 AromaticContact CE1-NE1 3.97Å; H259-W326 AromaticContact ND1-CE2 3.96Å; H259-W326 AromaticContact ND1-CZ2 3.52Å; A323-W326 PolarHBondContact O-N 2.78Å; V324-W326 VanDerWaalsContact C-N 3.26Å; V324-W326 PolarHBondContact O-N 3.44Å; W326-L329 HydrophobicContact CE3-CB 4.5Å; W326-L329 HydrophobicContact CE3-CD2 3.94Å; W326-L329 HydrophobicContact CZ3-CD2 4.21Å; W326-L329 PolarHBondContact O-N 3.36Å; W326-G330 PolarHBondContact O-N 3.5Å; W326-L377 HydrophobicContact CB-CD2 4.08Å; W326-G387 VanDerWaalsContact CD1-C 3.44Å; W326-G387 PolarHBondContact NE1-O 2.75Å; W326-D392 WeakPolarHBondContact CZ2-OD2 3.4Å; W326-D392 PolarHBondContact NE1-OD1 3.05Å; W326-A393 HydrophobicContact CH2-CB 3.64Å; W326-A393 HydrophobicContact CZ2-CB 3.66Å; W326-I396 HydrophobicContact CB-CD1 4.17Å; W326-I396 HydrophobicContact CD2-CD1 3.24Å; W326-I396 HydrophobicContact CE3-CD1 3.21Å; W326-I396 HydrophobicContact CG-CD1 3.67Å; W326-I396 HydrophobicContact CH2-CD1 4.19Å; W326-I396 HydrophobicContact CZ2-CD1 4.22Å; W326-I396 HydrophobicContact CZ3-CD1 3.71Å
327W98Very high89.3Confident2 Ų29 Ų91%0.0085%0.051CC..Hα-helixtrans-62.2-49167175-86000110.7L310 A311 P312 A323 V324 L329 G330 V331 F343 I355 L378L310-W327 PolarHBondContact O-NE1 2.87Å; L310-W327 VanDerWaalsContact O-NE1 3.12Å; A311-W327 VanDerWaalsContact CA-CD1 3.47Å; A311-W327 HydrophobicContact CB-CB 3.78Å; A311-W327 HydrophobicContact CB-CD2 4.2Å; A311-W327 HydrophobicContact CB-CG 3.63Å; P312-W327 HydrophobicContact CG-CE3 4.26Å; P312-W327 HydrophobicContact CG-CH2 3.65Å; P312-W327 HydrophobicContact CG-CZ2 4.09Å; P312-W327 HydrophobicContact CG-CZ3 3.74Å; A323-W327 PolarHBondContact O-N 2.8Å; V324-W327 WeakPolarHBondContact O-CB 3.26Å; V324-W327 PolarHBondContact O-N 3.27Å; W327-L329 VanDerWaalsContact C-N 3.27Å; W327-L329 PolarHBondContact O-N 3.44Å; W327-G330 CarbonylContact O-C 3.59Å; W327-G330 WeakPolarHBondContact O-CA 3.02Å; W327-G330 PolarHBondContact O-N 3.42Å; W327-V331 PolarHBondContact O-N 2.71Å; W327-F343 AromaticContact CH2-CE2 3.78Å; W327-F343 HydrophobicContact CH2-CE2 3.78Å; W327-F343 HydrophobicContact CH2-CZ 4.41Å; W327-F343 HydrophobicContact CZ2-CD2 4.28Å; W327-F343 AromaticContact CZ2-CE2 3.77Å; W327-F343 HydrophobicContact CZ2-CE2 3.77Å; W327-I355 HydrophobicContact CH2-CG2 4.49Å; W327-I355 HydrophobicContact CZ2-CG2 3.98Å; W327-L378 HydrophobicContact CD2-CD2 3.76Å; W327-L378 HydrophobicContact CE3-CB 4.46Å; W327-L378 HydrophobicContact CE3-CD2 3.85Å; W327-L378 HydrophobicContact CG-CD2 4.31Å; W327-L378 HydrophobicContact CH2-CD2 4.28Å; W327-L378 HydrophobicContact CZ2-CD2 4.18Å; W327-L378 HydrophobicContact CZ3-CB 4.19Å; W327-L378 HydrophobicContact CZ3-CD2 4.12Å; W327-L378 WeakPolarHBondContact CZ3-O 3.08Å
328G97.3Very high90.9Very high4 Ų48.7 Ų8.74%0.0415%0.051CC..Hα-helixtrans-55.1-42.6175.700000112.2V324 D325 G330 V331 V332V324-G328 PolarHBondContact O-N 2.93Å; D325-G328 PolarHBondContact O-N 3.18Å; G328-G330 VanDerWaalsContact C-N 3.3Å; G328-G330 PolarHBondContact O-N 2.76Å; G328-V331 PolarHBondContact O-N 2.78Å; G328-V332 WeakPolarHBondContact O-CB 3.45Å; G328-V332 WeakPolarHBondContact O-CG2 3.44Å; G328-V332 PolarHBondContact O-N 2.98Å
329L98.7Very high92.6Very high0 Ų09.3 Ų9.30%06%0.062CC..Hα-helixtrans-60.8-42.6175.2177.666.6000110.8I251 V252 L269 D325 W326 W327 V331 V332 M333 L377 I396I251-L329 HydrophobicContact CB-CD1 4.2Å; I251-L329 HydrophobicContact CG2-CD1 3.8Å; V252-L329 HydrophobicContact CG2-CD2 3.46Å; V252-L329 VanDerWaalsContact CG2-CD2 3.46Å; L269-L329 HydrophobicContact CD2-CB 4.03Å; D325-L329 PolarHBondContact O-N 2.83Å; W326-L329 HydrophobicContact CE3-CB 4.5Å; W326-L329 HydrophobicContact CE3-CD2 3.94Å; W326-L329 HydrophobicContact CZ3-CD2 4.21Å; W326-L329 PolarHBondContact O-N 3.36Å; W327-L329 VanDerWaalsContact C-N 3.27Å; W327-L329 PolarHBondContact O-N 3.44Å; L329-V331 PolarHBondContact O-N 3.34Å; L329-V332 PolarHBondContact O-N 3.4Å; L329-M333 HydrophobicContact CD1-CG 3.89Å; L329-M333 HydrophobicContact CD1-SD 3.81Å; L329-M333 HydrophobicContact CD2-SD 4.43Å; L329-M333 HydrophobicContact CG-CG 4.28Å; L329-M333 HydrophobicContact CG-SD 3.93Å; L329-M333 VanDerWaalsContact O-CB 3.31Å; L329-M333 WeakPolarHBondContact O-CB 3.45Å; L329-M333 VanDerWaalsContact O-CG 3.29Å; L329-M333 WeakPolarHBondContact O-CG 3.33Å; L329-M333 PolarHBondContact O-N 3.41Å; L329-L377 HydrophobicContact CD2-CD1 4.12Å; L329-L377 HydrophobicContact CD2-CD2 4.29Å; L329-L377 HydrophobicContact CG-CD1 4.08Å; L329-I396 HydrophobicContact CD2-CD1 4.39Å; L329-I396 HydrophobicContact CD2-CG2 4.37Å
330G98.6Very high94.1Very high0 Ų014.6 Ų14.60%08%0.081CC..Hα-helixtrans-57.5-46.3173.600000112.6W326 W327 G328 Y334W326-G330 PolarHBondContact O-N 3.5Å; W327-G330 CarbonylContact O-C 3.59Å; W327-G330 WeakPolarHBondContact O-CA 3.02Å; W327-G330 PolarHBondContact O-N 3.42Å; G328-G330 VanDerWaalsContact C-N 3.3Å; G328-G330 PolarHBondContact O-N 2.76Å; G330-Y334 WeakPolarHBondContact O-CB 3.16Å; G330-Y334 PolarHBondContact O-N 2.82Å
331V98.4Very high95.5Very high0 Ų015.9 Ų15.90%09%0.088CC..Hα-helixtrans-63.4-50178.9179.10000110.5Y309 W327 G328 L329 M333 Y334 E335 L341 P342 L378Y309-V331 HydrophobicContact CD1-CB 3.96Å; Y309-V331 HydrophobicContact CD1-CG1 3.36Å; Y309-V331 HydrophobicContact CE1-CB 4.45Å; Y309-V331 HydrophobicContact CE1-CG1 3.61Å; Y309-V331 HydrophobicContact CG-CG1 4.08Å; W327-V331 PolarHBondContact O-N 2.71Å; G328-V331 PolarHBondContact O-N 2.78Å; L329-V331 PolarHBondContact O-N 3.34Å; V331-M333 PolarHBondContact O-N 3.48Å; V331-Y334 PolarHBondContact O-N 3.31Å; V331-E335 PolarHBondContact O-N 2.96Å; V331-L341 HydrophobicContact CG1-CD2 4.04Å; V331-P342 HydrophobicContact CB-CG 4.39Å; V331-P342 HydrophobicContact CG1-CG 4.02Å; V331-P342 HydrophobicContact CG2-CG 4.13Å; V331-L378 HydrophobicContact CG2-CD2 3.86Å
332V98.3Very high96.4Very high0 Ų015.8 Ų15.80%08%0.084CC..Hα-helixtrans-59.8-47.5179162.20000111.8I251 L269 L271 L274 Y309 G328 L329 E335 M336I251-V332 HydrophobicContact CD1-CG1 4.3Å; L269-V332 HydrophobicContact CD2-CG2 4.46Å; L269-V332 HydrophobicContact CG-CG2 4.29Å; L271-V332 HydrophobicContact CD2-CG1 3.96Å; L274-V332 HydrophobicContact CD1-CG1 3.69Å; L274-V332 HydrophobicContact CD1-CG2 4.33Å; Y309-V332 HydrophobicContact CD1-CG2 4.47Å; Y309-V332 HydrophobicContact CE1-CG2 4.1Å; G328-V332 WeakPolarHBondContact O-CB 3.45Å; G328-V332 WeakPolarHBondContact O-CG2 3.44Å; G328-V332 PolarHBondContact O-N 2.98Å; L329-V332 PolarHBondContact O-N 3.4Å; V332-E335 PolarHBondContact O-N 3.48Å; V332-M336 HydrophobicContact CG1-CE 3.8Å; V332-M336 WeakPolarHBondContact O-CG 2.99Å; V332-M336 PolarHBondContact O-N 3.36Å
333M98.6Very high96.9Very high0 Ų014.5 Ų14.50%08%0.079CC..Hα-helixtrans-68.8-35.9178.6-69.8-171.97500112.5L329 V331 E335 M336 M337 L373 L374 L377 F401 F402L329-M333 HydrophobicContact CD1-CG 3.89Å; L329-M333 HydrophobicContact CD1-SD 3.81Å; L329-M333 HydrophobicContact CD2-SD 4.43Å; L329-M333 HydrophobicContact CG-CG 4.28Å; L329-M333 HydrophobicContact CG-SD 3.93Å; L329-M333 VanDerWaalsContact O-CB 3.31Å; L329-M333 WeakPolarHBondContact O-CB 3.45Å; L329-M333 VanDerWaalsContact O-CG 3.29Å; L329-M333 WeakPolarHBondContact O-CG 3.33Å; L329-M333 PolarHBondContact O-N 3.41Å; V331-M333 PolarHBondContact O-N 3.48Å; M333-E335 VanDerWaalsContact C-N 3.35Å; M333-M336 HydrophobicContact CB-CE 4.32Å; M333-M336 HydrophobicContact CG-CE 3.85Å; M333-M337 HydrophobicContact CB-CE 4.29Å; M333-M337 WeakPolarHBondContact O-CB 3.24Å; M333-M337 WeakPolarHBondContact O-CG 3.48Å; M333-M337 PolarHBondContact O-N 2.68Å; M333-L373 HydrophobicContact CE-CD2 3.48Å; M333-L373 VanDerWaalsContact CE-CD2 3.48Å; M333-L373 HydrophobicContact SD-CD2 3.84Å; M333-L374 HydrophobicContact CB-CD2 3.75Å; M333-L377 HydrophobicContact SD-CD1 4.4Å; M333-F401 HydrophobicContact CE-CD1 4.1Å; M333-F401 HydrophobicContact CE-CE1 3.41Å; M333-F401 VanDerWaalsContact CE-CE1 3.41Å; M333-F401 HydrophobicContact CE-CZ 3.99Å; M333-F402 HydrophobicContact CE-CZ 3.99Å; M333-F402 HydrophobicContact SD-CZ 4.26Å
334Y98.6Very high97Very high4 Ų420.4 Ų20.42%0.01610%0.1CC..Hα-helixtrans-60.4-48.6173.2-176.4-76.2000109.9G330 V331 M336 M337 C338 R340 P342 I360 R361 F362 L374 L378G330-Y334 WeakPolarHBondContact O-CB 3.16Å; G330-Y334 PolarHBondContact O-N 2.82Å; V331-Y334 PolarHBondContact O-N 3.31Å; Y334-M336 PolarHBondContact O-N 3.18Å; Y334-M337 PolarHBondContact O-N 2.78Å; Y334-C338 HydrophobicContact CD1-CB 3.9Å; Y334-C338 HydrophobicContact CE1-CB 3.59Å; Y334-C338 WeakPolarHBondContact O-CA 3.37Å; Y334-C338 WeakPolarHBondContact O-CB 3.35Å; Y334-C338 PolarHBondContact O-N 3.14Å; Y334-C338 PolarHBondContact O-SG 2.9Å; Y334-C338 VanDerWaalsContact O-SG 3.4Å; Y334-R340 WeakPolarHBondContact CD1-O 2.91Å; Y334-R340 HydrophobicContact CE1-CG 4.22Å; Y334-R340 VanDerWaalsContact CE1-O 3.29Å; Y334-R340 WeakPolarHBondContact CE1-O 3.31Å; Y334-P342 HydrophobicContact CD1-CB 3.84Å; Y334-P342 HydrophobicContact CD1-CG 4.37Å; Y334-P342 HydrophobicContact CD2-CB 4.12Å; Y334-P342 HydrophobicContact CE1-CB 4.06Å; Y334-P342 HydrophobicContact CE2-CB 4.32Å; Y334-P342 HydrophobicContact CG-CB 3.91Å; Y334-P342 HydrophobicContact CG-CG 4.46Å; Y334-I360 HydrophobicContact CD2-CD1 3.54Å; Y334-I360 HydrophobicContact CD2-CG1 4.25Å; Y334-I360 HydrophobicContact CE2-CD1 3.64Å; Y334-I360 HydrophobicContact CE2-CG1 3.82Å; Y334-I360 HydrophobicContact CG-CD1 4.45Å; Y334-R361 WeakPolarHBondContact CE2-O 3.41Å; Y334-R361 PolarHBondContact OH-O 3.35Å; Y334-F362 HydrophobicContact CD2-CD1 4.27Å; Y334-F362 HydrophobicContact CD2-CE1 4.05Å; Y334-F362 AromaticContact CE2-CD1 3.87Å; Y334-F362 HydrophobicContact CE2-CD1 3.87Å; Y334-F362 AromaticContact CE2-CE1 3.99Å; Y334-F362 HydrophobicContact CE2-CE1 3.99Å; Y334-L374 HydrophobicContact CD2-CD1 3.76Å; Y334-L374 HydrophobicContact CG-CD1 4.23Å; Y334-L378 HydrophobicContact CD2-CD1 4.42Å
335E97.8Very high97Very high21 Ų2122.4 Ų22.410%0.09811%0.11CC..Hα-helixtrans-63.7-42.7-178.9-165.6172.3-172.200111.9L233 L271 Y309 V331 V332 M333 M337 G339 R340 L341L233-E335 HydrophobicContact CD2-CG 3.87Å; L271-E335 HydrophobicContact CD1-CB 4.24Å; L271-E335 HydrophobicContact CD1-CG 3.8Å; L271-E335 WeakPolarHBondContact CD1-OE2 3.49Å; Y309-E335 PolarHBondContact OH-OE2 3Å; V331-E335 PolarHBondContact O-N 2.96Å; V332-E335 PolarHBondContact O-N 3.48Å; M333-E335 VanDerWaalsContact C-N 3.35Å; E335-M337 PolarHBondContact O-N 3.42Å; E335-G339 VanDerWaalsContact O-CA 3.24Å; E335-G339 WeakPolarHBondContact O-CA 3.05Å; E335-G339 PolarHBondContact O-N 3.36Å; E335-R340 WeakPolarHBondContact CA-O 3.35Å; E335-L341 WeakPolarHBondContact OE2-CD2 3.43Å
336M98.4Very high96.7Very high0 Ų030.4 Ų30.40%015%0.148CC..Hα-helixtrans-57.9-46173.9-73.9-170.5-67.800112.7L229 F239 A244 Y247 L271 V332 M333 Y334L229-M336 HydrophobicContact CD2-SD 3.86Å; F239-M336 HydrophobicContact CB-CB 4.44Å; F239-M336 HydrophobicContact CD2-CB 3.98Å; F239-M336 HydrophobicContact CD2-CG 3.74Å; F239-M336 HydrophobicContact CD2-SD 3.83Å; F239-M336 HydrophobicContact CE2-CG 4.11Å; F239-M336 HydrophobicContact CE2-SD 4.14Å; F239-M336 PolarHBondContact N-O 3.13Å; A244-M336 HydrophobicContact CB-CB 4.16Å; A244-M336 HydrophobicContact CB-CE 4.32Å; Y247-M336 HydrophobicContact CD2-SD 3.95Å; L271-M336 HydrophobicContact CD2-CG 4.19Å; V332-M336 HydrophobicContact CG1-CE 3.8Å; V332-M336 WeakPolarHBondContact O-CG 2.99Å; V332-M336 PolarHBondContact O-N 3.36Å; M333-M336 HydrophobicContact CB-CE 4.32Å; M333-M336 HydrophobicContact CG-CE 3.85Å; Y334-M336 PolarHBondContact O-N 3.18Å
337M98.3Very high95.9Very high11 Ų1133.5 Ų33.55%0.05416%0.164CC..Hα-helixtrans-87.7-19.6-173.5-63.4-172.8-63.700114V238 E241 A244 M333 Y334 E335 L366 L374 F401V238-M337 WeakPolarHBondContact CG1-O 3.5Å; E241-M337 HydrophobicContact CB-SD 4.28Å; E241-M337 HydrophobicContact CG-SD 3.86Å; A244-M337 HydrophobicContact CB-CG 3.44Å; A244-M337 VanDerWaalsContact CB-CG 3.44Å; A244-M337 HydrophobicContact CB-SD 3.9Å; M333-M337 HydrophobicContact CB-CE 4.29Å; M333-M337 WeakPolarHBondContact O-CB 3.24Å; M333-M337 WeakPolarHBondContact O-CG 3.48Å; M333-M337 PolarHBondContact O-N 2.68Å; Y334-M337 PolarHBondContact O-N 2.78Å; E335-M337 PolarHBondContact O-N 3.42Å; M337-L366 HydrophobicContact CB-CD1 3.97Å; M337-L366 HydrophobicContact CE-CD1 4.23Å; M337-L366 HydrophobicContact SD-CD1 4.19Å; M337-L374 HydrophobicContact CE-CD1 3.67Å; M337-L374 HydrophobicContact CE-CD2 3.89Å; M337-L374 HydrophobicContact CE-CG 3.78Å; M337-F401 HydrophobicContact CE-CZ 4.43Å; M337-F401 HydrophobicContact SD-CE2 3.95Å; M337-F401 HydrophobicContact SD-CZ 3.75Å
338C97.6Very high95.2Very high16 Ų1638.1 Ų38.111%0.10819%0.185CC..Hα-helixtrans-112.2-14.5-177.5-57.10000113.8Y334 R340 P363Y334-C338 HydrophobicContact CD1-CB 3.9Å; Y334-C338 HydrophobicContact CE1-CB 3.59Å; Y334-C338 WeakPolarHBondContact O-CA 3.37Å; Y334-C338 WeakPolarHBondContact O-CB 3.35Å; Y334-C338 PolarHBondContact O-N 3.14Å; Y334-C338 PolarHBondContact O-SG 2.9Å; Y334-C338 VanDerWaalsContact O-SG 3.4Å; C338-R340 VanDerWaalsContact C-N 3.29Å; C338-R340 HydrophobicContact CB-CG 4.48Å; C338-R340 PolarHBondContact O-N 3.39Å; C338-P363 HydrophobicContact CB-CG 4.33Å
339G95.7Very high94.3Very high35 Ų3545.4 Ų45.436%0.36122%0.219SC..SBendtrans70.520.3179.900000114.9R237 E335R237-G339 WeakPolarHBondContact O-CA 3.19Å; E335-G339 VanDerWaalsContact O-CA 3.24Å; E335-G339 WeakPolarHBondContact O-CA 3.05Å; E335-G339 PolarHBondContact O-N 3.36Å
340R95.1Very high93.7Very high131 Ų13150.5 Ų50.549%0.49424%0.241SC..SBendtrans-160157.6178.463.9178.8-177-118.4-1.9110.3Y334 E335 C338Y334-R340 WeakPolarHBondContact CD1-O 2.91Å; Y334-R340 HydrophobicContact CE1-CG 4.22Å; Y334-R340 VanDerWaalsContact CE1-O 3.29Å; Y334-R340 WeakPolarHBondContact CE1-O 3.31Å; E335-R340 WeakPolarHBondContact CA-O 3.35Å; C338-R340 VanDerWaalsContact C-N 3.29Å; C338-R340 HydrophobicContact CB-CG 4.48Å; C338-R340 PolarHBondContact O-N 3.39Å
341L96.1Very high93.3Very high32 Ų3250.5 Ų50.517%0.16824%0.241CC..  trans-61.9148.1171.7-70.4165.5000112E308 Y309 V331 E335 F343 Y344E308-L341 HydrophobicContact CB-CD1 3.82Å; E308-L341 HydrophobicContact CB-CD2 4.31Å; E308-L341 HydrophobicContact CG-CD1 3.81Å; Y309-L341 HydrophobicContact CE1-CD2 4.39Å; Y309-L341 HydrophobicContact CE2-CD2 4.16Å; V331-L341 HydrophobicContact CG1-CD2 4.04Å; E335-L341 WeakPolarHBondContact OE2-CD2 3.43Å; L341-F343 VanDerWaalsContact C-N 3.33Å; L341-Y344 HydrophobicContact CD1-CD2 3.94Å
342P97Very high92.8Very high18 Ų1852 Ų5212%0.11725%0.247CC..SBendtrans-67.9-33.5176.927.3-34000112.7V331 Y334 I360 L378V331-P342 HydrophobicContact CB-CG 4.39Å; V331-P342 HydrophobicContact CG1-CG 4.02Å; V331-P342 HydrophobicContact CG2-CG 4.13Å; Y334-P342 HydrophobicContact CD1-CB 3.84Å; Y334-P342 HydrophobicContact CD1-CG 4.37Å; Y334-P342 HydrophobicContact CD2-CB 4.12Å; Y334-P342 HydrophobicContact CE1-CB 4.06Å; Y334-P342 HydrophobicContact CE2-CB 4.32Å; Y334-P342 HydrophobicContact CG-CB 3.91Å; Y334-P342 HydrophobicContact CG-CG 4.46Å; P342-I360 HydrophobicContact CB-CD1 3.62Å; P342-I360 HydrophobicContact CB-CG1 4.26Å; P342-L378 HydrophobicContact CB-CD1 4.43Å
343F96.5Very high92.3Very high7 Ų758 Ų583%0.03128%0.275CS..SBendtrans-132132.7175.6-50.6-74.7000108.4W327 L341 L351 L354 I355 E358 I360W327-F343 AromaticContact CH2-CE2 3.78Å; W327-F343 HydrophobicContact CH2-CE2 3.78Å; W327-F343 HydrophobicContact CH2-CZ 4.41Å; W327-F343 HydrophobicContact CZ2-CD2 4.28Å; W327-F343 AromaticContact CZ2-CE2 3.77Å; W327-F343 HydrophobicContact CZ2-CE2 3.77Å; L341-F343 VanDerWaalsContact C-N 3.33Å; F343-L351 HydrophobicContact CB-CD1 4.19Å; F343-L354 HydrophobicContact CB-CB 4.23Å; F343-L354 HydrophobicContact CD1-CB 4.06Å; F343-L354 HydrophobicContact CG-CB 4.49Å; F343-I355 HydrophobicContact CB-CG1 3.92Å; F343-I355 HydrophobicContact CD2-CG1 3.98Å; F343-I355 HydrophobicContact CG-CG1 4.05Å; F343-E358 WeakPolarHBondContact CE1-O 3.46Å; F343-I360 HydrophobicContact CZ-CB 4.2Å
344Y93.9Very high92Very high136 Ų13659.9 Ų59.953%0.53329%0.285SS..  trans-152.5132.5178.7-179-101.1000110.8L341L341-Y344 HydrophobicContact CD1-CD2 3.94Å
345N91.4Very high91.8Very high52 Ų5259.7 Ų59.728%0.27828%0.284SS..  trans-153.9146.7167-154.2-67.1000108.9D347 K350 L351 L354N345-D347 PolarHBondContact O-N 3.49Å; N345-D347 PolarHBondContact OD1-N 3.12Å; N345-K350 HydrophobicContact CB-CB 4.11Å; N345-L351 HydrophobicContact CB-CB 4.16Å; N345-L354 HydrophobicContact CB-CD1 4.01Å
346Q87Confident91.4Very high170 Ų17060 Ų6079%0.79429%0.287SS*.SBendtrans-68.9-28.7173.9-68.2-179.7-10.600111.9
347D83.7Confident90.9Very high64 Ų6466.4 Ų66.434%0.34232%0.318SS..SBendtrans-87.3116.1175.4-176-17.3000109.6N345 E349 K350 L351N345-D347 PolarHBondContact O-N 3.49Å; N345-D347 PolarHBondContact OD1-N 3.12Å; D347-E349 VanDerWaalsContact C-N 3.27Å; D347-E349 PolarHBondContact O-N 3.13Å; D347-E349 PolarHBondContact OD1-N 3.13Å; D347-K350 HydrophobicContact CB-CB 4.16Å; D347-K350 HydrophobicContact CB-CD 4.05Å; D347-K350 HydrophobicContact CB-CG 4.09Å; D347-K350 PolarHBondContact O-N 2.96Å; D347-L351 PolarHBondContact O-N 2.79Å
348H81.3Confident90.7Very high99 Ų9969 Ų6946%0.45833%0.33SS..Hα-helixtrans-61.5-33.1-178.5-71.5-175.3000112.8K350 L351 F352H348-K350 VanDerWaalsContact C-N 3.33Å; H348-L351 PolarHBondContact O-N 3.11Å; H348-F352 HydrophobicContact CB-CE2 4.18Å; H348-F352 HydrophobicContact CB-CZ 4.22Å; H348-F352 WeakPolarHBondContact O-CB 3.15Å; H348-F352 WeakPolarHBondContact O-CD2 3.36Å; H348-F352 WeakPolarHBondContact O-CG 3.48Å; H348-F352 PolarHBondContact O-N 2.97Å
349E80.3Confident90.3Very high158 Ų15876.1 Ų76.174%0.73836%0.362SS*.Hα-helixtrans-65.8-42.1178.4-65.7-171.517000110.4D347 F352 E353D347-E349 VanDerWaalsContact C-N 3.27Å; D347-E349 PolarHBondContact O-N 3.13Å; D347-E349 PolarHBondContact OD1-N 3.13Å; E349-F352 PolarHBondContact O-N 3.48Å; E349-E353 PolarHBondContact O-N 2.81Å
350K85.4Confident90.2Very high107 Ų10775.9 Ų75.947%0.46535%0.352SS..Hα-helixtrans-67-44173.6-64.8-177.9-173.1170.30111.2N345 D347 H348 F352 E353 L354N345-K350 HydrophobicContact CB-CB 4.11Å; D347-K350 HydrophobicContact CB-CB 4.16Å; D347-K350 HydrophobicContact CB-CD 4.05Å; D347-K350 HydrophobicContact CB-CG 4.09Å; D347-K350 PolarHBondContact O-N 2.96Å; H348-K350 VanDerWaalsContact C-N 3.33Å; K350-F352 VanDerWaalsContact C-N 3.29Å; K350-F352 PolarHBondContact O-N 2.66Å; K350-E353 WeakPolarHBondContact O-CB 3.49Å; K350-E353 PolarHBondContact O-N 3.1Å; K350-E353 VanDerWaalsContact O-N 3.1Å; K350-L354 VanDerWaalsContact O-CG 3.26Å; K350-L354 WeakPolarHBondContact O-CG 3.43Å; K350-L354 PolarHBondContact O-N 3.17Å
351L89.6Confident90.2Very high0 Ų078 Ų780%036%0.36CS..Hα-helixtrans-54.9-46.9176.6175.461.8000111.2P307 E308 F343 N345 D347 H348 E353 L354 I355P307-L351 HydrophobicContact CB-CD2 3.88Å; E308-L351 HydrophobicContact CG-CD2 3.91Å; F343-L351 HydrophobicContact CB-CD1 4.19Å; N345-L351 HydrophobicContact CB-CB 4.16Å; D347-L351 PolarHBondContact O-N 2.79Å; H348-L351 PolarHBondContact O-N 3.11Å; L351-E353 VanDerWaalsContact C-N 3.34Å; L351-E353 PolarHBondContact O-N 2.66Å; L351-L354 WeakPolarHBondContact O-CB 3.21Å; L351-L354 PolarHBondContact O-N 2.97Å; L351-I355 HydrophobicContact CD1-CD1 3.99Å; L351-I355 HydrophobicContact CD1-CG1 4.32Å; L351-I355 HydrophobicContact CG-CD1 3.94Å; L351-I355 WeakPolarHBondContact O-CG1 3.49Å; L351-I355 PolarHBondContact O-N 2.94Å
352F87.9Confident90.2Very high32 Ų3278.4 Ų78.414%0.1436%0.361CS..Hα-helixtrans-63.2-40.3176.9-60.3-25.9000111.9I19 F303 P307 L315 H348 E349 K350 L354 I355 L356I19-F352 HydrophobicContact CD1-CB 4.48Å; I19-F352 HydrophobicContact CD1-CD2 4.17Å; I19-F352 HydrophobicContact CD1-CG 4.48Å; I19-F352 HydrophobicContact CG1-CD2 4.29Å; F303-F352 HydrophobicContact CZ-CZ 4.42Å; P307-F352 HydrophobicContact CB-CE1 4.06Å; L315-F352 HydrophobicContact CD1-CB 4.23Å; L315-F352 HydrophobicContact CD1-CD1 3.85Å; L315-F352 HydrophobicContact CD1-CG 4.32Å; L315-F352 HydrophobicContact CD2-CD1 3.57Å; L315-F352 HydrophobicContact CD2-CE1 3.62Å; L315-F352 HydrophobicContact CD2-CG 4.25Å; L315-F352 HydrophobicContact CD2-CZ 4.34Å; L315-F352 HydrophobicContact CG-CD1 4.37Å; H348-F352 HydrophobicContact CB-CE2 4.18Å; H348-F352 HydrophobicContact CB-CZ 4.22Å; H348-F352 WeakPolarHBondContact O-CB 3.15Å; H348-F352 WeakPolarHBondContact O-CD2 3.36Å; H348-F352 WeakPolarHBondContact O-CG 3.48Å; H348-F352 PolarHBondContact O-N 2.97Å; E349-F352 PolarHBondContact O-N 3.48Å; K350-F352 VanDerWaalsContact C-N 3.29Å; K350-F352 PolarHBondContact O-N 2.66Å; F352-L354 PolarHBondContact O-N 3.08Å; F352-I355 PolarHBondContact O-N 3.4Å; F352-L356 WeakPolarHBondContact O-CB 3.01Å; F352-L356 WeakPolarHBondContact O-CG 3.49Å; F352-L356 PolarHBondContact O-N 3.17Å
353E88.3Confident90.1Very high125 Ų12579 Ų7958%0.58436%0.364SS*.Hα-helixtrans-59.9-43.6172.9-172-178.1-177.400112.1E349 K350 L351 L356 M357E349-E353 PolarHBondContact O-N 2.81Å; K350-E353 WeakPolarHBondContact O-CB 3.49Å; K350-E353 PolarHBondContact O-N 3.1Å; K350-E353 VanDerWaalsContact O-N 3.1Å; L351-E353 VanDerWaalsContact C-N 3.34Å; L351-E353 PolarHBondContact O-N 2.66Å; E353-L356 PolarHBondContact O-N 3.06Å; E353-M357 HydrophobicContact CG-CG 4.44Å; E353-M357 WeakPolarHBondContact O-CB 3.39Å; E353-M357 PolarHBondContact O-N 3.11Å
354L92.2Very high90Very high39 Ų3991 Ų9120%0.20441%0.409CS..Hα-helixtrans-60.7-47.8176.5-59.8170.1000110.8F343 N345 K350 L351 F352 L356 E358 K380F343-L354 HydrophobicContact CB-CB 4.23Å; F343-L354 HydrophobicContact CD1-CB 4.06Å; F343-L354 HydrophobicContact CG-CB 4.49Å; N345-L354 HydrophobicContact CB-CD1 4.01Å; K350-L354 VanDerWaalsContact O-CG 3.26Å; K350-L354 WeakPolarHBondContact O-CG 3.43Å; K350-L354 PolarHBondContact O-N 3.17Å; L351-L354 WeakPolarHBondContact O-CB 3.21Å; L351-L354 PolarHBondContact O-N 2.97Å; F352-L354 PolarHBondContact O-N 3.08Å; L354-L356 VanDerWaalsContact C-N 3.32Å; L354-L356 PolarHBondContact O-N 3.06Å; L354-E358 HydrophobicContact CD2-CB 4.32Å; L354-E358 WeakPolarHBondContact CD2-OE2 3.1Å; L354-E358 WeakPolarHBondContact O-CB 3.5Å; L354-E358 PolarHBondContact O-N 3.17Å; L354-K380 PolarHBondContact O-NZ 2.99Å
355I93.5Very high90Very high1 Ų190.3 Ų90.31%0.00542%0.42CS..Hα-helixtrans-61.8-40178.8-66.8167000111P307 P312 L315 W327 F343 L351 F352 K380P307-I355 WeakPolarHBondContact O-CD1 3.13Å; P312-I355 HydrophobicContact CG-CG2 3.97Å; L315-I355 HydrophobicContact CD1-CB 3.75Å; L315-I355 HydrophobicContact CD1-CD1 3.99Å; L315-I355 HydrophobicContact CD1-CG1 4.49Å; L315-I355 HydrophobicContact CD1-CG2 3.48Å; L315-I355 VanDerWaalsContact CD1-CG2 3.48Å; W327-I355 HydrophobicContact CH2-CG2 4.49Å; W327-I355 HydrophobicContact CZ2-CG2 3.98Å; F343-I355 HydrophobicContact CB-CG1 3.92Å; F343-I355 HydrophobicContact CD2-CG1 3.98Å; F343-I355 HydrophobicContact CG-CG1 4.05Å; L351-I355 HydrophobicContact CD1-CD1 3.99Å; L351-I355 HydrophobicContact CD1-CG1 4.32Å; L351-I355 HydrophobicContact CG-CD1 3.94Å; L351-I355 WeakPolarHBondContact O-CG1 3.49Å; L351-I355 PolarHBondContact O-N 2.94Å; F352-I355 PolarHBondContact O-N 3.4Å; I355-K380 PolarHBondContact O-NZ 2.78Å
356L89.7Confident90.2Very high28 Ų2888.8 Ų88.815%0.14741%0.411CS..Hα-helixtrans-80.2-33.1-177.3-68172.8000113.7P312 L315 E316 F352 E353 L354 K380P312-L356 HydrophobicContact CB-CD2 4.01Å; L315-L356 HydrophobicContact CB-CD2 4.2Å; L315-L356 HydrophobicContact CD1-CD2 4.44Å; L315-L356 HydrophobicContact CD1-CG 4.31Å; E316-L356 HydrophobicContact CG-CD2 3.62Å; F352-L356 WeakPolarHBondContact O-CB 3.01Å; F352-L356 WeakPolarHBondContact O-CG 3.49Å; F352-L356 PolarHBondContact O-N 3.17Å; E353-L356 PolarHBondContact O-N 3.06Å; L354-L356 VanDerWaalsContact C-N 3.32Å; L354-L356 PolarHBondContact O-N 3.06Å; L356-K380 WeakPolarHBondContact O-CD 3.23Å; L356-K380 WeakPolarHBondContact O-CE 3.47Å
357M89.1Confident90.7Very high134 Ų13481.5 Ų81.566%0.6638%0.382SS*.Hα-helixtrans-123.2-37.6-165.5-57.8-61.4174.600114.1E353E353-M357 HydrophobicContact CG-CG 4.44Å; E353-M357 WeakPolarHBondContact O-CB 3.39Å; E353-M357 PolarHBondContact O-N 3.11Å
358E92.9Very high91.4Very high65 Ų6583 Ų8330%0.30440%0.396SS..PPolyproline II helixtrans-75.9132.9-173-169.6171.5-16100111.8F343 L354 R361 K380F343-E358 WeakPolarHBondContact CE1-O 3.46Å; L354-E358 HydrophobicContact CD2-CB 4.32Å; L354-E358 WeakPolarHBondContact CD2-OE2 3.1Å; L354-E358 WeakPolarHBondContact O-CB 3.5Å; L354-E358 PolarHBondContact O-N 3.17Å; E358-R361 IonicContact OE1-CZ 3.04Å; E358-R361 IonicContact OE1-NE 2.7Å; E358-R361 IonicContact OE1-NH2 2.83Å; E358-R361 PolarHBondContact OE1-NH2 3.44Å; E358-K380 VanDerWaalsContact O-CE 3.24Å; E358-K380 WeakPolarHBondContact O-CE 3.41Å; E358-K380 PolarHBondContact O-NZ 3.2Å
359E89.7Confident92.2Very high165 Ų16582.4 Ų82.477%0.77139%0.393SS*.PPolyproline II helixtrans-70.9136.5170.5-70.3-167165.200111.3
360I93.8Very high93.1Very high31 Ų3174.9 Ų74.916%0.15936%0.357CS..PPolyproline II helixtrans-64.1139.7-179.6-170.5164.4000112.2Y334 P342 F343 F362 L378Y334-I360 HydrophobicContact CD2-CD1 3.54Å; Y334-I360 HydrophobicContact CD2-CG1 4.25Å; Y334-I360 HydrophobicContact CE2-CD1 3.64Å; Y334-I360 HydrophobicContact CE2-CG1 3.82Å; Y334-I360 HydrophobicContact CG-CD1 4.45Å; P342-I360 HydrophobicContact CB-CD1 3.62Å; P342-I360 HydrophobicContact CB-CG1 4.26Å; F343-I360 HydrophobicContact CZ-CB 4.2Å; I360-F362 HydrophobicContact CB-CZ 4.43Å; I360-F362 HydrophobicContact CD1-CE1 4.14Å; I360-F362 HydrophobicContact CD1-CZ 4.23Å; I360-F362 HydrophobicContact CG1-CE1 4.26Å; I360-F362 HydrophobicContact CG1-CZ 4.17Å; I360-F362 HydrophobicContact CG2-CE1 4.39Å; I360-F362 HydrophobicContact CG2-CE2 3.68Å; I360-F362 HydrophobicContact CG2-CZ 3.49Å; I360-F362 VanDerWaalsContact CG2-CZ 3.49Å; I360-L378 HydrophobicContact CD1-CB 4.17Å; I360-L378 HydrophobicContact CD1-CD1 3.18Å; I360-L378 HydrophobicContact CD1-CG 4.26Å
361R94.4Very high93.7Very high174 Ų17474.8 Ų74.866%0.65736%0.357SS*.  trans-109.2140177.8-60.5-175.7-171.1164.411.3111Y334 E358Y334-R361 WeakPolarHBondContact CE2-O 3.41Å; Y334-R361 PolarHBondContact OH-O 3.35Å; E358-R361 IonicContact OE1-CZ 3.04Å; E358-R361 IonicContact OE1-NE 2.7Å; E358-R361 IonicContact OE1-NH2 2.83Å; E358-R361 PolarHBondContact OE1-NH2 3.44Å
362F96.4Very high94.1Very high42 Ų4277.9 Ų77.918%0.18438%0.379CS..  trans-113.7140.2-179.5-58-77.5000111.3Y334 I360 L366 K371 L374 S375Y334-F362 HydrophobicContact CD2-CD1 4.27Å; Y334-F362 HydrophobicContact CD2-CE1 4.05Å; Y334-F362 AromaticContact CE2-CD1 3.87Å; Y334-F362 HydrophobicContact CE2-CD1 3.87Å; Y334-F362 AromaticContact CE2-CE1 3.99Å; Y334-F362 HydrophobicContact CE2-CE1 3.99Å; I360-F362 HydrophobicContact CB-CZ 4.43Å; I360-F362 HydrophobicContact CD1-CE1 4.14Å; I360-F362 HydrophobicContact CD1-CZ 4.23Å; I360-F362 HydrophobicContact CG1-CE1 4.26Å; I360-F362 HydrophobicContact CG1-CZ 4.17Å; I360-F362 HydrophobicContact CG2-CE1 4.39Å; I360-F362 HydrophobicContact CG2-CE2 3.68Å; I360-F362 HydrophobicContact CG2-CZ 3.49Å; I360-F362 VanDerWaalsContact CG2-CZ 3.49Å; F362-L366 HydrophobicContact CB-CD2 4.33Å; F362-L366 HydrophobicContact CD1-CD2 3.67Å; F362-L366 HydrophobicContact CE1-CD2 4.42Å; F362-L366 HydrophobicContact CG-CD2 4.31Å; F362-K371 HydrophobicContact CB-CD 4.44Å; F362-K371 HydrophobicContact CB-CG 4.42Å; F362-K371 HydrophobicContact CD1-CG 4.38Å; F362-K371 HydrophobicContact CD2-CD 4.13Å; F362-K371 HydrophobicContact CD2-CG 3.78Å; F362-K371 HydrophobicContact CE2-CG 4.06Å; F362-K371 HydrophobicContact CG-CD 4.35Å; F362-K371 HydrophobicContact CG-CG 3.92Å; F362-K371 HydrophobicContact CZ-CG 4.49Å; F362-L374 HydrophobicContact CD1-CD1 4.31Å; F362-L374 HydrophobicContact CE1-CB 3.58Å; F362-L374 HydrophobicContact CE1-CD1 3.97Å; F362-L374 HydrophobicContact CE1-CG 4.46Å; F362-L374 HydrophobicContact CZ-CB 4.13Å; F362-S375 VanDerWaalsContact CE2-OG 3.25Å; F362-S375 WeakPolarHBondContact CE2-OG 3.4Å; F362-S375 VanDerWaalsContact CZ-OG 3.28Å; F362-S375 WeakPolarHBondContact CZ-OG 3.4Å
363P94.9Very high94.7Very high29 Ų2976.4 Ų76.419%0.18837%0.372CS..  trans-66.6151.9170.130.6-33.9000110.4C338 T365 L366C338-P363 HydrophobicContact CB-CG 4.33Å; P363-T365 PolarHBondContact O-N 3.04Å; P363-T365 VanDerWaalsContact O-N 3.16Å; P363-L366 HydrophobicContact CG-CB 4.31Å; P363-L366 PolarHBondContact O-N 3.48Å
364R93.9Very high95.2Very high259 Ų25970.4 Ų70.498%0.97734%0.344SS*.THydrogen-bonded Turntrans-65.9-15.2178.5-64-177.1-177.1-178.40.6113.5L366R364-L366 VanDerWaalsContact C-N 3.32Å
365T93.9Very high95.5Very high123 Ų12370.4 Ų70.476%0.75535%0.347SS*.THydrogen-bonded Turntrans-78.5-15.2179.5510000113.2P363P363-T365 PolarHBondContact O-N 3.04Å; P363-T365 VanDerWaalsContact O-N 3.16Å
366L97.1Very high95.7Very high19 Ų1971.1 Ų71.110%0.09936%0.355CS..SBendtrans-79.5128.9-179.9-170.869.8000110.4E241 M337 F362 P363 R364 K371 L374E241-L366 HydrophobicContact CG-CD1 4.45Å; M337-L366 HydrophobicContact CB-CD1 3.97Å; M337-L366 HydrophobicContact CE-CD1 4.23Å; M337-L366 HydrophobicContact SD-CD1 4.19Å; F362-L366 HydrophobicContact CB-CD2 4.33Å; F362-L366 HydrophobicContact CD1-CD2 3.67Å; F362-L366 HydrophobicContact CE1-CD2 4.42Å; F362-L366 HydrophobicContact CG-CD2 4.31Å; P363-L366 HydrophobicContact CG-CB 4.31Å; P363-L366 PolarHBondContact O-N 3.48Å; R364-L366 VanDerWaalsContact C-N 3.32Å; L366-K371 HydrophobicContact CD2-CB 3.99Å; L366-K371 HydrophobicContact CG-CB 4.44Å; L366-L374 HydrophobicContact CD2-CD1 3.83Å
367G97.7Very high96.1Very high18 Ų1869.8 Ų69.819%0.18635%0.348CS..  trans-63.7160.7177.200000113.1E241 E369 G370 K371E241-G367 WeakPolarHBondContact OE1-CA 3.09Å; E241-G367 PolarHBondContact OE1-N 3.21Å; G367-E369 VanDerWaalsContact C-N 3.33Å; G367-E369 PolarHBondContact O-N 3.33Å; G367-G370 PolarHBondContact O-N 3.1Å; G367-K371 WeakPolarHBondContact O-CB 3.2Å; G367-K371 PolarHBondContact O-N 3.2Å
368P98.1Very high96.6Very high96 Ų9663.8 Ų63.862%0.62332%0.319SS*.Hα-helixtrans-63.9-36.4-176.521.9-26.9000112.6S372P368-S372 VanDerWaalsContact O-CB 3.31Å; P368-S372 WeakPolarHBondContact O-CB 3.33Å; P368-S372 PolarHBondContact O-N 2.87Å
369E98.3Very high96.8Very high85 Ų8565.9 Ų65.940%0.39733%0.327SS..Hα-helixtrans-67.8-44.6177.3-65.470.8-154.200111.6G367 S372 L373 K400 F401G367-E369 VanDerWaalsContact C-N 3.33Å; G367-E369 PolarHBondContact O-N 3.33Å; E369-S372 PolarHBondContact O-N 2.85Å; E369-L373 PolarHBondContact O-N 3.36Å; E369-K400 HydrophobicContact CG-CB 4.34Å; E369-F401 HydrophobicContact CB-CB 4.31Å; E369-F401 HydrophobicContact CB-CD2 4.18Å
370G98.2Very high97Very high0 Ų060.7 Ų60.70%030%0.302CS..Hα-helixtrans-62.1-44.417600000111.5G367 S372 L373 L374G367-G370 PolarHBondContact O-N 3.1Å; G370-S372 PolarHBondContact O-N 3.48Å; G370-L373 PolarHBondContact O-N 3.19Å; G370-L374 WeakPolarHBondContact O-CG 3.26Å; G370-L374 PolarHBondContact O-N 3.42Å
371K98.5Very high96.9Very high106 Ų10663 Ų6346%0.46131%0.314SS..Hα-helixtrans-61.5-43.1174.8-174.7178177.7-177.30112.1F362 L366 G367 S375F362-K371 HydrophobicContact CB-CD 4.44Å; F362-K371 HydrophobicContact CB-CG 4.42Å; F362-K371 HydrophobicContact CD1-CG 4.38Å; F362-K371 HydrophobicContact CD2-CD 4.13Å; F362-K371 HydrophobicContact CD2-CG 3.78Å; F362-K371 HydrophobicContact CE2-CG 4.06Å; F362-K371 HydrophobicContact CG-CD 4.35Å; F362-K371 HydrophobicContact CG-CG 3.92Å; F362-K371 HydrophobicContact CZ-CG 4.49Å; L366-K371 HydrophobicContact CD2-CB 3.99Å; L366-K371 HydrophobicContact CG-CB 4.44Å; G367-K371 WeakPolarHBondContact O-CB 3.2Å; G367-K371 PolarHBondContact O-N 3.2Å; K371-S375 WeakPolarHBondContact O-CB 3.32Å; K371-S375 PolarHBondContact O-N 3.33Å; K371-S375 PolarHBondContact O-OG 3.04Å
372S98.6Very high96.7Very high65 Ų6556.3 Ų56.346%0.45529%0.294SS..Hα-helixtrans-60-47.3177.1-178.10000111.2P368 E369 G370 S375 G376 H399P368-S372 VanDerWaalsContact O-CB 3.31Å; P368-S372 WeakPolarHBondContact O-CB 3.33Å; P368-S372 PolarHBondContact O-N 2.87Å; E369-S372 PolarHBondContact O-N 2.85Å; G370-S372 PolarHBondContact O-N 3.48Å; S372-S375 PolarHBondContact O-N 2.9Å; S372-G376 PolarHBondContact O-N 2.72Å; S372-G376 VanDerWaalsContact O-N 3.07Å; S372-H399 PolarHBondContact OG-NE2 2.88Å
373L98.8Very high96.4Very high0 Ų062.8 Ų62.80%032%0.321CS..Hα-helixtrans-60.3-54.3179.1178.966000111.1M333 E369 G370 S375 G376 L377 L386 I396 H399 F401 F402M333-L373 HydrophobicContact CE-CD2 3.48Å; M333-L373 VanDerWaalsContact CE-CD2 3.48Å; M333-L373 HydrophobicContact SD-CD2 3.84Å; E369-L373 PolarHBondContact O-N 3.36Å; G370-L373 PolarHBondContact O-N 3.19Å; L373-S375 VanDerWaalsContact C-N 3.3Å; L373-S375 PolarHBondContact O-N 2.8Å; L373-G376 PolarHBondContact O-N 2.77Å; L373-G376 VanDerWaalsContact O-N 3.08Å; L373-L377 HydrophobicContact CD1-CD1 3.88Å; L373-L377 HydrophobicContact CD1-CG 4.14Å; L373-L377 HydrophobicContact CD2-CD1 4.37Å; L373-L377 HydrophobicContact CG-CD1 3.8Å; L373-L377 HydrophobicContact CG-CG 4.38Å; L373-L377 WeakPolarHBondContact O-CG 3.19Å; L373-L377 PolarHBondContact O-N 3.09Å; L373-L386 HydrophobicContact CD1-CD2 3.65Å; L373-I396 HydrophobicContact CD1-CG2 4.39Å; L373-H399 VanDerWaalsContact CA-CE1 3.46Å; L373-H399 WeakPolarHBondContact CA-CE1 3.49Å; L373-H399 HydrophobicContact CD1-CB 4.36Å; L373-H399 PolarHBondContact N-CE1 2.84Å; L373-H399 VanDerWaalsContact N-CE1 3.28Å; L373-F401 HydrophobicContact CB-CB 4Å; L373-F401 HydrophobicContact CB-CG 4.27Å; L373-F401 HydrophobicContact CD2-CB 3.94Å; L373-F401 HydrophobicContact CD2-CD1 3.35Å; L373-F401 HydrophobicContact CD2-CD2 4.42Å; L373-F401 HydrophobicContact CD2-CE1 3.89Å; L373-F401 HydrophobicContact CD2-CG 3.64Å; L373-F401 HydrophobicContact CG-CB 4.45Å; L373-F402 HydrophobicContact CD1-CE2 4.09Å; L373-F402 HydrophobicContact CD2-CE2 3.77Å; L373-F402 HydrophobicContact CD2-CZ 4.08Å
374L98.8Very high96.4Very high0 Ų068 Ų680%034%0.344CS..Hα-helixtrans-63.5-36.8-177.9-65.5-177.4000112.1M333 Y334 M337 F362 L366 G370 G376 L378M333-L374 HydrophobicContact CB-CD2 3.75Å; Y334-L374 HydrophobicContact CD2-CD1 3.76Å; Y334-L374 HydrophobicContact CG-CD1 4.23Å; M337-L374 HydrophobicContact CE-CD1 3.67Å; M337-L374 HydrophobicContact CE-CD2 3.89Å; M337-L374 HydrophobicContact CE-CG 3.78Å; F362-L374 HydrophobicContact CD1-CD1 4.31Å; F362-L374 HydrophobicContact CE1-CB 3.58Å; F362-L374 HydrophobicContact CE1-CD1 3.97Å; F362-L374 HydrophobicContact CE1-CG 4.46Å; F362-L374 HydrophobicContact CZ-CB 4.13Å; L366-L374 HydrophobicContact CD2-CD1 3.83Å; G370-L374 WeakPolarHBondContact O-CG 3.26Å; G370-L374 PolarHBondContact O-N 3.42Å; L374-G376 VanDerWaalsContact C-N 3.26Å; L374-G376 PolarHBondContact O-N 2.98Å; L374-L378 VanDerWaalsContact O-CB 3.27Å; L374-L378 WeakPolarHBondContact O-CB 3.46Å; L374-L378 PolarHBondContact O-N 2.73Å
375S98.4Very high96.6Very high38 Ų3855.9 Ų55.927%0.26630%0.298SS..Hα-helixtrans-65.4-30.7175.8-59.10000112.5F362 K371 S372 L373 K379F362-S375 VanDerWaalsContact CE2-OG 3.25Å; F362-S375 WeakPolarHBondContact CE2-OG 3.4Å; F362-S375 VanDerWaalsContact CZ-OG 3.28Å; F362-S375 WeakPolarHBondContact CZ-OG 3.4Å; K371-S375 WeakPolarHBondContact O-CB 3.32Å; K371-S375 PolarHBondContact O-N 3.33Å; K371-S375 PolarHBondContact O-OG 3.04Å; S372-S375 PolarHBondContact O-N 2.9Å; L373-S375 VanDerWaalsContact C-N 3.3Å; L373-S375 PolarHBondContact O-N 2.8Å; S375-K379 WeakPolarHBondContact O-CG 3.47Å
376G98.5Very high96.8Very high16 Ų1651.5 Ų51.517%0.16527%0.27CS..Hα-helixtrans-77-46.4175.400000112.7S372 L373 L374 L378 K379 R385 L386S372-G376 PolarHBondContact O-N 2.72Å; S372-G376 VanDerWaalsContact O-N 3.07Å; L373-G376 PolarHBondContact O-N 2.77Å; L373-G376 VanDerWaalsContact O-N 3.08Å; L374-G376 VanDerWaalsContact C-N 3.26Å; L374-G376 PolarHBondContact O-N 2.98Å; G376-L378 VanDerWaalsContact C-N 3.33Å; G376-L378 PolarHBondContact O-N 3.19Å; G376-K379 WeakPolarHBondContact O-CG 3.2Å; G376-K379 PolarHBondContact O-N 2.87Å; G376-R385 WeakPolarHBondContact O-CG 3.33Å; G376-L386 PolarHBondContact O-N 2.91Å
377L98.7Very high96.7Very high0 Ų050.6 Ų50.60%027%0.265CS..Hα-helixtrans-67-32.6178.9-67.7173.8000112.6W326 L329 M333 L373 R385 L386 I396W326-L377 HydrophobicContact CB-CD2 4.08Å; L329-L377 HydrophobicContact CD2-CD1 4.12Å; L329-L377 HydrophobicContact CD2-CD2 4.29Å; L329-L377 HydrophobicContact CG-CD1 4.08Å; M333-L377 HydrophobicContact SD-CD1 4.4Å; L373-L377 HydrophobicContact CD1-CD1 3.88Å; L373-L377 HydrophobicContact CD1-CG 4.14Å; L373-L377 HydrophobicContact CD2-CD1 4.37Å; L373-L377 HydrophobicContact CG-CD1 3.8Å; L373-L377 HydrophobicContact CG-CG 4.38Å; L373-L377 WeakPolarHBondContact O-CG 3.19Å; L373-L377 PolarHBondContact O-N 3.09Å; L377-R385 WeakPolarHBondContact O-CD 3.17Å; L377-R385 WeakPolarHBondContact O-CG 3.33Å; L377-R385 PolarHBondContact O-NE 3.31Å; L377-L386 HydrophobicContact CD2-CB 4.34Å; L377-L386 HydrophobicContact CD2-CD2 4.31Å; L377-L386 HydrophobicContact CG-CD2 4.43Å; L377-I396 HydrophobicContact CD2-CD1 3.77Å; L377-I396 HydrophobicContact CD2-CG1 4.04Å
378L98.4Very high96.4Very high9 Ų951.1 Ų51.15%0.04727%0.27CS..THydrogen-bonded Turntrans-100.926.6-177.5-60.7169.3000112.8W327 V331 Y334 P342 I360 L374 G376W327-L378 HydrophobicContact CD2-CD2 3.76Å; W327-L378 HydrophobicContact CE3-CB 4.46Å; W327-L378 HydrophobicContact CE3-CD2 3.85Å; W327-L378 HydrophobicContact CG-CD2 4.31Å; W327-L378 HydrophobicContact CH2-CD2 4.28Å; W327-L378 HydrophobicContact CZ2-CD2 4.18Å; W327-L378 HydrophobicContact CZ3-CB 4.19Å; W327-L378 HydrophobicContact CZ3-CD2 4.12Å; W327-L378 WeakPolarHBondContact CZ3-O 3.08Å; V331-L378 HydrophobicContact CG2-CD2 3.86Å; Y334-L378 HydrophobicContact CD2-CD1 4.42Å; P342-L378 HydrophobicContact CB-CD1 4.43Å; I360-L378 HydrophobicContact CD1-CB 4.17Å; I360-L378 HydrophobicContact CD1-CD1 3.18Å; I360-L378 HydrophobicContact CD1-CG 4.26Å; L374-L378 VanDerWaalsContact O-CB 3.27Å; L374-L378 WeakPolarHBondContact O-CB 3.46Å; L374-L378 PolarHBondContact O-N 2.73Å; G376-L378 VanDerWaalsContact C-N 3.33Å; G376-L378 PolarHBondContact O-N 3.19Å
379K97.9Very high95.9Very high109 Ų10947.7 Ų47.747%0.47425%0.252SS..  trans-66.7132164.5-72.1-67.8-173.2169.40109.6S375 G376 R385S375-K379 WeakPolarHBondContact O-CG 3.47Å; G376-K379 WeakPolarHBondContact O-CG 3.2Å; G376-K379 PolarHBondContact O-N 2.87Å; K379-R385 HydrophobicContact CB-CB 4.14Å; K379-R385 HydrophobicContact CB-CG 4.41Å; K379-R385 PolarHBondContact O-NE 2.78Å; K379-R385 PolarHBondContact O-NH2 3.12Å
380K94.8Very high95.4Very high56 Ų5649.9 Ų49.924%0.24327%0.274CS..SBendtrans-69.9-40.8-177.2-56.2-168.8-171.4-70.80112.7P312 L354 I355 L356 E358 P382 R385P312-K380 HydrophobicContact CB-CB 4.47Å; P312-K380 HydrophobicContact CG-CB 4.12Å; P312-K380 HydrophobicContact CG-CG 4.31Å; L354-K380 PolarHBondContact O-NZ 2.99Å; I355-K380 PolarHBondContact O-NZ 2.78Å; L356-K380 WeakPolarHBondContact O-CD 3.23Å; L356-K380 WeakPolarHBondContact O-CE 3.47Å; E358-K380 VanDerWaalsContact O-CE 3.24Å; E358-K380 WeakPolarHBondContact O-CE 3.41Å; E358-K380 PolarHBondContact O-NZ 3.2Å; K380-P382 WeakPolarHBondContact O-CD 3.3Å; K380-R385 PolarHBondContact O-NH2 3.25Å; K380-R385 VanDerWaalsContact O-NH2 3.12Å
381D91.4Very high95.1Very high78 Ų7854.3 Ų54.342%0.41730%0.297SS..SBendtrans-74.1115.4172.2-179.8-2.4000109.8K383 Q384 R385D381-K383 PolarHBondContact O-N 2.82Å; D381-K383 WeakPolarHBondContact OD1-CB 3.06Å; D381-K383 PolarHBondContact OD1-N 3.35Å; D381-Q384 HydrophobicContact CB-CB 4.23Å; D381-Q384 HydrophobicContact CB-CG 4.2Å; D381-Q384 PolarHBondContact O-N 2.74Å; D381-Q384 VanDerWaalsContact O-N 3.08Å; D381-Q384 WeakPolarHBondContact OD2-CG 3.18Å; D381-R385 PolarHBondContact O-N 2.89Å; D381-R385 VanDerWaalsContact O-N 3.14Å
382P90.1Very high94.9Very high35 Ų3549.9 Ų49.923%0.22728%0.279CS..G310 helixtrans-61-27.3-179.824.5-34.1000113.2E313 A323 K380 Q384 R385 G388E313-P382 HydrophobicContact CB-CG 4.42Å; E313-P382 HydrophobicContact CG-CG 4.35Å; A323-P382 HydrophobicContact CB-CB 3.83Å; K380-P382 WeakPolarHBondContact O-CD 3.3Å; P382-Q384 VanDerWaalsContact C-N 3.27Å; P382-Q384 PolarHBondContact O-N 2.88Å; P382-R385 WeakPolarHBondContact O-CB 3.39Å; P382-R385 PolarHBondContact O-N 2.87Å; P382-G388 WeakPolarHBondContact O-CA 3.19Å
383K88.8Confident94.9Very high177 Ų17746.8 Ų46.877%0.7726%0.257SS*.G310 helixtrans-73.4-20.8178-64-176.7178.9-177.50113.1D381D381-K383 PolarHBondContact O-N 2.82Å; D381-K383 WeakPolarHBondContact OD1-CB 3.06Å; D381-K383 PolarHBondContact OD1-N 3.35Å
384Q95.1Very high94.8Very high140 Ų14052.3 Ų52.365%0.65428%0.281SS*.G310 helixtrans-101.8-2.5176.6-61.7-64-40.800112.1D381 P382D381-Q384 HydrophobicContact CB-CB 4.23Å; D381-Q384 HydrophobicContact CB-CG 4.2Å; D381-Q384 PolarHBondContact O-N 2.74Å; D381-Q384 VanDerWaalsContact O-N 3.08Å; D381-Q384 WeakPolarHBondContact OD2-CG 3.18Å; P382-Q384 VanDerWaalsContact C-N 3.27Å; P382-Q384 PolarHBondContact O-N 2.88Å
385R97.8Very high94.8Very high4 Ų454.8 Ų54.82%0.01529%0.293CS..SBendtrans-75.8141.3-179.7-167.6177.1-641476.8109.9E313 A323 G376 L377 K379 K380 D381 P382 G387 G388E313-R385 IonicContact OE1-CZ 3.51Å; E313-R385 IonicContact OE1-NH1 2.84Å; E313-R385 PolarHBondContact OE1-NH1 3.2Å; E313-R385 IonicContact OE1-NH2 2.91Å; E313-R385 PolarHBondContact OE1-NH2 3.22Å; E313-R385 IonicContact OE2-CZ 3.99Å; E313-R385 IonicContact OE2-NH1 3.32Å; E313-R385 PolarHBondContact OE2-NH1 2.93Å; E313-R385 IonicContact OE2-NH2 3.98Å; E313-R385 PolarHBondContact OE2-NH2 2.86Å; A323-R385 WeakPolarHBondContact O-CD 3.06Å; A323-R385 PolarHBondContact O-NH1 2.77Å; G376-R385 WeakPolarHBondContact O-CG 3.33Å; L377-R385 WeakPolarHBondContact O-CD 3.17Å; L377-R385 WeakPolarHBondContact O-CG 3.33Å; L377-R385 PolarHBondContact O-NE 3.31Å; K379-R385 HydrophobicContact CB-CB 4.14Å; K379-R385 HydrophobicContact CB-CG 4.41Å; K379-R385 PolarHBondContact O-NE 2.78Å; K379-R385 PolarHBondContact O-NH2 3.12Å; K380-R385 PolarHBondContact O-NH2 3.25Å; K380-R385 VanDerWaalsContact O-NH2 3.12Å; D381-R385 PolarHBondContact O-N 2.89Å; D381-R385 VanDerWaalsContact O-N 3.14Å; P382-R385 WeakPolarHBondContact O-CB 3.39Å; P382-R385 PolarHBondContact O-N 2.87Å; R385-G387 PolarHBondContact O-N 3.25Å; R385-G388 WeakPolarHBondContact O-CA 3.29Å; R385-G388 PolarHBondContact O-N 2.84Å
386L98.3Very high94.8Very high31 Ų3153 Ų5316%0.16228%0.28CS..THydrogen-bonded Turntrans-61.3124.7173.1-175.470.6000109.3L373 G376 L377 G388 E395 I396 H399L373-L386 HydrophobicContact CD1-CD2 3.65Å; G376-L386 PolarHBondContact O-N 2.91Å; L377-L386 HydrophobicContact CD2-CB 4.34Å; L377-L386 HydrophobicContact CD2-CD2 4.31Å; L377-L386 HydrophobicContact CG-CD2 4.43Å; L386-G388 VanDerWaalsContact C-N 3.31Å; L386-E395 HydrophobicContact CD1-CB 3.98Å; L386-I396 HydrophobicContact CD2-CG1 4.06Å; L386-I396 HydrophobicContact CG-CG1 3.85Å; L386-H399 HydrophobicContact CD2-CB 4.33Å
387G96.1Very high94.8Very high0 Ų054.1 Ų54.10%028%0.282CS..THydrogen-bonded Turntrans82.93.5-171.400000114.3W326 R385 D392 E395W326-G387 VanDerWaalsContact CD1-C 3.44Å; W326-G387 PolarHBondContact NE1-O 2.75Å; R385-G387 PolarHBondContact O-N 3.25Å; G387-D392 VanDerWaalsContact CA-O 3.28Å; G387-D392 WeakPolarHBondContact CA-O 3.31Å; G387-D392 WeakPolarHBondContact O-CA 3.1Å; G387-E395 WeakPolarHBondContact CA-OE2 3.3Å; G387-E395 PolarHBondContact N-OE2 3.37Å
388G91Very high94.8Very high28 Ų2861.8 Ų61.829%0.28932%0.317SS..  trans-82.9-12.5176.100000114.2P382 R385 L386P382-G388 WeakPolarHBondContact O-CA 3.19Å; R385-G388 WeakPolarHBondContact O-CA 3.29Å; R385-G388 PolarHBondContact O-N 2.84Å; L386-G388 VanDerWaalsContact C-N 3.31Å
389G88.3Confident94.8Very high25 Ų2562.7 Ų62.726%0.25832%0.321SS..SBendtrans-82.3-178.4176.500000113.7D391 D392 E395G389-D391 PolarHBondContact O-N 3.44Å; G389-D392 PolarHBondContact O-N 3.15Å; G389-D392 VanDerWaalsContact O-N 3.11Å; G389-E395 VanDerWaalsContact CA-OE1 3.24Å; G389-E395 WeakPolarHBondContact CA-OE1 3.43Å; G389-E395 PolarHBondContact N-OE1 2.98Å
390P87.6Confident94.9Very high130 Ų13065.5 Ų65.584%0.84433%0.334SS*.THydrogen-bonded Turntrans-65.8-20.7-177.628.1-35.6000113.7D392P390-D392 VanDerWaalsContact C-N 3.3Å
391D91.7Very high95.1Very high93 Ų9362.9 Ų62.950%0.49732%0.322SS..THydrogen-bonded Turntrans-81.8-9.9177.6-77.9-38.3000112.9G389 A393 K394 E395G389-D391 PolarHBondContact O-N 3.44Å; D391-A393 PolarHBondContact O-N 3.46Å; D391-K394 HydrophobicContact CB-CB 4.27Å; D391-K394 VanDerWaalsContact O-CB 3.25Å; D391-K394 WeakPolarHBondContact O-CB 3.33Å; D391-K394 WeakPolarHBondContact O-CG 3.48Å; D391-K394 PolarHBondContact O-N 2.99Å; D391-E395 HydrophobicContact CB-CG 3.79Å
392D94.9Very high95.4Very high14 Ų1459.3 Ų59.38%0.07530%0.303CS..THydrogen-bonded Turntrans45.7-121.4171.9-168.261.6000112.4H259 W326 G387 G389 P390 K394 E395H259-D392 WeakPolarHBondContact CB-OD2 3.44Å; H259-D392 IonicContact CE1-OD1 3.98Å; H259-D392 IonicContact CE1-OD2 2.67Å; H259-D392 IonicContact CG-OD2 3.8Å; H259-D392 IonicContact ND1-OD1 2.77Å; H259-D392 PolarHBondContact ND1-OD1 3.23Å; H259-D392 IonicContact ND1-OD2 2.8Å; H259-D392 PolarHBondContact ND1-OD2 3.19Å; W326-D392 WeakPolarHBondContact CZ2-OD2 3.4Å; W326-D392 PolarHBondContact NE1-OD1 3.05Å; G387-D392 VanDerWaalsContact CA-O 3.28Å; G387-D392 WeakPolarHBondContact CA-O 3.31Å; G387-D392 WeakPolarHBondContact O-CA 3.1Å; G389-D392 PolarHBondContact O-N 3.15Å; G389-D392 VanDerWaalsContact O-N 3.11Å; P390-D392 VanDerWaalsContact C-N 3.3Å; D392-K394 PolarHBondContact O-N 3.38Å; D392-E395 PolarHBondContact O-N 3.49Å
393A97.3Very high95.8Very high0 Ų061.3 Ų61.30%032%0.322CS..Hα-helixtrans-54.5-30-179.700000114D256 W326 D391 E395 I396 M397D256-A393 HydrophobicContact CB-CB 3.54Å; D256-A393 WeakPolarHBondContact OD1-CB 3.29Å; W326-A393 HydrophobicContact CH2-CB 3.64Å; W326-A393 HydrophobicContact CZ2-CB 3.66Å; D391-A393 PolarHBondContact O-N 3.46Å; A393-E395 VanDerWaalsContact C-N 3.26Å; A393-E395 PolarHBondContact O-N 3.34Å; A393-I396 WeakPolarHBondContact O-CB 3.29Å; A393-I396 PolarHBondContact O-N 3.22Å; A393-M397 HydrophobicContact CB-SD 4.33Å; A393-M397 VanDerWaalsContact O-CG 3.25Å; A393-M397 WeakPolarHBondContact O-CG 3.42Å; A393-M397 PolarHBondContact O-N 2.7Å
394K97.7Very high96.1Very high115 Ų11556.6 Ų56.650%0.532%0.324SS..Hα-helixtrans-63-33.1-176.7-61174.5-176.6167.60112.4D391 D392 I396 M397 Q398D391-K394 HydrophobicContact CB-CB 4.27Å; D391-K394 VanDerWaalsContact O-CB 3.25Å; D391-K394 WeakPolarHBondContact O-CB 3.33Å; D391-K394 WeakPolarHBondContact O-CG 3.48Å; D391-K394 PolarHBondContact O-N 2.99Å; D392-K394 PolarHBondContact O-N 3.38Å; K394-I396 VanDerWaalsContact C-N 3.28Å; K394-I396 PolarHBondContact O-N 2.97Å; K394-M397 PolarHBondContact O-N 2.9Å; K394-Q398 WeakPolarHBondContact O-CB 3.45Å; K394-Q398 VanDerWaalsContact O-CG 3.26Å; K394-Q398 WeakPolarHBondContact O-CG 3.37Å; K394-Q398 PolarHBondContact O-N 2.87Å
395E98.3Very high96.2Very high52 Ų5251.4 Ų51.424%0.24330%0.301CS..Hα-helixtrans-61.4-41.2175.2-62.6-177.8-17100111L386 G387 G389 D391 D392 A393 H399L386-E395 HydrophobicContact CD1-CB 3.98Å; G387-E395 WeakPolarHBondContact CA-OE2 3.3Å; G387-E395 PolarHBondContact N-OE2 3.37Å; G389-E395 VanDerWaalsContact CA-OE1 3.24Å; G389-E395 WeakPolarHBondContact CA-OE1 3.43Å; G389-E395 PolarHBondContact N-OE1 2.98Å; D391-E395 HydrophobicContact CB-CG 3.79Å; D392-E395 PolarHBondContact O-N 3.49Å; A393-E395 VanDerWaalsContact C-N 3.26Å; A393-E395 PolarHBondContact O-N 3.34Å; E395-H399 PolarHBondContact O-N 2.96Å
396I98.7Very high96.3Very high0 Ų057.2 Ų57.20%033%0.328CS..Hα-helixtrans-71.7-42.9178.3-59.2166.8000109.8V252 W326 L329 L373 L377 L386 A393 K394 Q398 H399 F402V252-I396 HydrophobicContact CG1-CG2 4.47Å; V252-I396 HydrophobicContact CG2-CG2 3.81Å; W326-I396 HydrophobicContact CB-CD1 4.17Å; W326-I396 HydrophobicContact CD2-CD1 3.24Å; W326-I396 HydrophobicContact CE3-CD1 3.21Å; W326-I396 HydrophobicContact CG-CD1 3.67Å; W326-I396 HydrophobicContact CH2-CD1 4.19Å; W326-I396 HydrophobicContact CZ2-CD1 4.22Å; W326-I396 HydrophobicContact CZ3-CD1 3.71Å; L329-I396 HydrophobicContact CD2-CD1 4.39Å; L329-I396 HydrophobicContact CD2-CG2 4.37Å; L373-I396 HydrophobicContact CD1-CG2 4.39Å; L377-I396 HydrophobicContact CD2-CD1 3.77Å; L377-I396 HydrophobicContact CD2-CG1 4.04Å; L386-I396 HydrophobicContact CD2-CG1 4.06Å; L386-I396 HydrophobicContact CG-CG1 3.85Å; A393-I396 WeakPolarHBondContact O-CB 3.29Å; A393-I396 PolarHBondContact O-N 3.22Å; K394-I396 VanDerWaalsContact C-N 3.28Å; K394-I396 PolarHBondContact O-N 2.97Å; I396-Q398 PolarHBondContact O-N 2.86Å; I396-H399 VanDerWaalsContact O-CB 3.25Å; I396-H399 WeakPolarHBondContact O-CB 3.35Å; I396-H399 PolarHBondContact O-N 2.87Å; I396-F402 HydrophobicContact CG2-CD2 4.3Å; I396-F402 HydrophobicContact CG2-CE2 3.75Å; I396-F402 WeakPolarHBondContact O-CD2 3.33Å
397M98.6Very high96.3Very high40 Ų4057.9 Ų57.920%0.19733%0.328CS..Hα-helixtrans-61.1-31.4-179.6-68.6167.679.100113.4V252 A393 K394 W407V252-M397 HydrophobicContact CG1-CG 3.79Å; A393-M397 HydrophobicContact CB-SD 4.33Å; A393-M397 VanDerWaalsContact O-CG 3.25Å; A393-M397 WeakPolarHBondContact O-CG 3.42Å; A393-M397 PolarHBondContact O-N 2.7Å; K394-M397 PolarHBondContact O-N 2.9Å; M397-W407 HydrophobicContact CB-CD2 4.13Å; M397-W407 VanDerWaalsContact CB-CE2 3.5Å; M397-W407 HydrophobicContact CB-CH2 4.37Å; M397-W407 HydrophobicContact CB-CZ2 3.69Å; M397-W407 HydrophobicContact CE-CB 3.5Å; M397-W407 VanDerWaalsContact CE-CB 3.5Å; M397-W407 HydrophobicContact CE-CD2 3.38Å; M397-W407 HydrophobicContact CE-CE3 3.8Å; M397-W407 HydrophobicContact CE-CG 3.2Å; M397-W407 HydrophobicContact CG-CD2 3.77Å; M397-W407 HydrophobicContact CG-CE3 3.99Å; M397-W407 HydrophobicContact CG-CG 4.44Å; M397-W407 HydrophobicContact CG-CH2 3.86Å; M397-W407 HydrophobicContact CG-CZ2 3.66Å; M397-W407 HydrophobicContact CG-CZ3 4Å; M397-W407 PolarHBondContact O-NE1 3.48Å; M397-W407 HydrophobicContact SD-CD2 4.39Å
398Q98.4Very high96.3Very high161 Ų16163 Ų6375%0.75235%0.352SS*.THydrogen-bonded Turntrans-88.3-7.3178.3-66.5171.216.900113.4K394 I396K394-Q398 WeakPolarHBondContact O-CB 3.45Å; K394-Q398 VanDerWaalsContact O-CG 3.26Å; K394-Q398 WeakPolarHBondContact O-CG 3.37Å; K394-Q398 PolarHBondContact O-N 2.87Å; I396-Q398 PolarHBondContact O-N 2.86Å
399H98.8Very high96.7Very high28 Ų2864 Ų6413%0.1335%0.351CS..SBendtrans-65.7140.3-178.5-173.6-89.7000111.3S372 L373 L386 E395 I396 F401 F402S372-H399 PolarHBondContact OG-NE2 2.88Å; L373-H399 VanDerWaalsContact CA-CE1 3.46Å; L373-H399 WeakPolarHBondContact CA-CE1 3.49Å; L373-H399 HydrophobicContact CD1-CB 4.36Å; L373-H399 PolarHBondContact N-CE1 2.84Å; L373-H399 VanDerWaalsContact N-CE1 3.28Å; L386-H399 HydrophobicContact CD2-CB 4.33Å; E395-H399 PolarHBondContact O-N 2.96Å; I396-H399 VanDerWaalsContact O-CB 3.25Å; I396-H399 WeakPolarHBondContact O-CB 3.35Å; I396-H399 PolarHBondContact O-N 2.87Å; H399-F401 WeakPolarHBondContact ND1-CB 3.26Å; H399-F401 PolarHBondContact ND1-N 3.15Å; H399-F401 PolarHBondContact O-N 2.76Å; H399-F402 PolarHBondContact O-N 3.26Å
400K98.6Very high97.2Very high168 Ų16862.9 Ų62.973%0.7334%0.339SS*.G310 helixtrans-55.4-25.3-174.5-68.6-175.5179.3179.50114.9E369 F402 A403E369-K400 HydrophobicContact CG-CB 4.34Å; K400-F402 PolarHBondContact O-N 2.83Å; K400-A403 VanDerWaalsContact O-CB 3.22Å; K400-A403 WeakPolarHBondContact O-CB 3.45Å; K400-A403 PolarHBondContact O-N 2.69Å; K400-A403 VanDerWaalsContact O-N 3.14Å
401F98.8Very high97.7Very high2 Ų261.2 Ų61.21%0.00932%0.317CS..G310 helixtrans-60.3-31.8174.3-176.3-95.3000113E241 R245 M333 M337 E369 L373 H399E241-F401 HydrophobicContact CB-CE2 4.23Å; E241-F401 HydrophobicContact CB-CZ 4.46Å; R245-F401 HydrophobicContact CB-CD1 4.48Å; R245-F401 HydrophobicContact CB-CE1 3.63Å; R245-F401 HydrophobicContact CB-CZ 3.96Å; R245-F401 WeakPolarHBondContact CD-O 3.35Å; R245-F401 HydrophobicContact CG-CD1 4.29Å; R245-F401 HydrophobicContact CG-CE1 3.91Å; R245-F401 PolarHBondContact NE-O 3.31Å; M333-F401 HydrophobicContact CE-CD1 4.1Å; M333-F401 HydrophobicContact CE-CE1 3.41Å; M333-F401 VanDerWaalsContact CE-CE1 3.41Å; M333-F401 HydrophobicContact CE-CZ 3.99Å; M337-F401 HydrophobicContact CE-CZ 4.43Å; M337-F401 HydrophobicContact SD-CE2 3.95Å; M337-F401 HydrophobicContact SD-CZ 3.75Å; E369-F401 HydrophobicContact CB-CB 4.31Å; E369-F401 HydrophobicContact CB-CD2 4.18Å; L373-F401 HydrophobicContact CB-CB 4Å; L373-F401 HydrophobicContact CB-CG 4.27Å; L373-F401 HydrophobicContact CD2-CB 3.94Å; L373-F401 HydrophobicContact CD2-CD1 3.35Å; L373-F401 HydrophobicContact CD2-CD2 4.42Å; L373-F401 HydrophobicContact CD2-CE1 3.89Å; L373-F401 HydrophobicContact CD2-CG 3.64Å; L373-F401 HydrophobicContact CG-CB 4.45Å; H399-F401 WeakPolarHBondContact ND1-CB 3.26Å; H399-F401 PolarHBondContact ND1-N 3.15Å; H399-F401 PolarHBondContact O-N 2.76Å
402F98.8Very high98Very high3 Ų361 Ų611%0.01331%0.313CS..G310 helixtrans-99.515.7176.9-62.5-73.4000112.8R245 A249 M333 L373 I396 H399 K400 G404 I405 W407R245-F402 HydrophobicContact CG-CD1 3.78Å; R245-F402 HydrophobicContact CG-CE1 4.07Å; A249-F402 HydrophobicContact CB-CD1 4.29Å; A249-F402 HydrophobicContact CB-CE1 4.18Å; M333-F402 HydrophobicContact CE-CZ 3.99Å; M333-F402 HydrophobicContact SD-CZ 4.26Å; L373-F402 HydrophobicContact CD1-CE2 4.09Å; L373-F402 HydrophobicContact CD2-CE2 3.77Å; L373-F402 HydrophobicContact CD2-CZ 4.08Å; I396-F402 HydrophobicContact CG2-CD2 4.3Å; I396-F402 HydrophobicContact CG2-CE2 3.75Å; I396-F402 WeakPolarHBondContact O-CD2 3.33Å; H399-F402 PolarHBondContact O-N 3.26Å; K400-F402 PolarHBondContact O-N 2.83Å; F402-G404 PolarHBondContact O-N 3.4Å; F402-I405 HydrophobicContact CB-CG1 4.29Å; F402-I405 HydrophobicContact CD1-CG1 4.45Å; F402-I405 WeakPolarHBondContact O-CB 3.43Å; F402-I405 WeakPolarHBondContact O-CG1 3.47Å; F402-I405 PolarHBondContact O-N 2.95Å; F402-I405 VanDerWaalsContact O-N 3.08Å; F402-W407 HydrophobicContact CB-CZ2 3.85Å; F402-W407 HydrophobicContact CD1-CH2 4.2Å; F402-W407 HydrophobicContact CD1-CZ2 4.27Å; F402-W407 HydrophobicContact CD2-CZ2 4.43Å; F402-W407 HydrophobicContact CG-CH2 4.23Å; F402-W407 AromaticContact CG-CZ2 3.95Å; F402-W407 HydrophobicContact CG-CZ2 3.95Å
403A97.9Very high98.1Very high76 Ų7663.5 Ų63.563%0.62832%0.323SS*.THydrogen-bonded Turntrans-56.9130.9176.900000111K400K400-A403 VanDerWaalsContact O-CB 3.22Å; K400-A403 WeakPolarHBondContact O-CB 3.45Å; K400-A403 PolarHBondContact O-N 2.69Å; K400-A403 VanDerWaalsContact O-N 3.14Å
404G95.9Very high98.2Very high79 Ų7969.1 Ų69.181%0.81435%0.348SS*.THydrogen-bonded Turntrans86.10.8-177.800000115.2F402F402-G404 PolarHBondContact O-N 3.4Å
405I98Very high98.1Very high30 Ų3065.7 Ų65.715%0.15433%0.334CS..  trans-81.4120170.5-62.9-64.3000109.8R245 A249 F402 W407 V410 L415R245-I405 HydrophobicContact CG-CD1 4.48Å; R245-I405 HydrophobicContact CG-CG1 4.49Å; A249-I405 HydrophobicContact CB-CG2 4.35Å; F402-I405 HydrophobicContact CB-CG1 4.29Å; F402-I405 HydrophobicContact CD1-CG1 4.45Å; F402-I405 WeakPolarHBondContact O-CB 3.43Å; F402-I405 WeakPolarHBondContact O-CG1 3.47Å; F402-I405 PolarHBondContact O-N 2.95Å; F402-I405 VanDerWaalsContact O-N 3.08Å; I405-W407 HydrophobicContact CG2-CD2 4.13Å; I405-W407 HydrophobicContact CG2-CG 4.49Å; I405-W407 HydrophobicContact CG2-CZ2 4.28Å; I405-W407 PolarHBondContact O-N 2.77Å; I405-V410 HydrophobicContact CG2-CG2 3.47Å; I405-V410 VanDerWaalsContact CG2-CG2 3.47Å; I405-L415 HydrophobicContact CD1-CD1 4.16Å
406E98.1Very high98.1Very high127 Ų12769.3 Ų69.359%0.59336%0.36SS*.  trans-85.1105.7167.8-68.3-57.6144.500109.5Q408 D409 V410E406-Q408 VanDerWaalsContact C-N 3.28Å; E406-Q408 PolarHBondContact O-N 2.73Å; E406-D409 HydrophobicContact CB-CB 4.07Å; E406-D409 WeakPolarHBondContact O-CA 3.42Å; E406-D409 WeakPolarHBondContact O-CB 3.47Å; E406-D409 PolarHBondContact O-N 2.84Å; E406-V410 PolarHBondContact O-N 2.92Å; E406-V410 VanDerWaalsContact O-N 3.11Å
407W98.3Very high98Very high44 Ų4470.6 Ų70.617%0.16737%0.368CS..Hα-helixtrans-66.1-26.8-171.4-68.896.6000114.2A249 V252 M397 F402 I405 D409 V410 Y411A249-W407 HydrophobicContact CB-CH2 4.07Å; A249-W407 HydrophobicContact CB-CZ3 4.01Å; A249-W407 WeakPolarHBondContact O-CZ3 3.31Å; V252-W407 HydrophobicContact CB-CH2 3.99Å; V252-W407 HydrophobicContact CB-CZ3 3.85Å; V252-W407 HydrophobicContact CG1-CH2 3.73Å; V252-W407 HydrophobicContact CG1-CZ3 3.64Å; M397-W407 HydrophobicContact CB-CD2 4.13Å; M397-W407 VanDerWaalsContact CB-CE2 3.5Å; M397-W407 HydrophobicContact CB-CH2 4.37Å; M397-W407 HydrophobicContact CB-CZ2 3.69Å; M397-W407 HydrophobicContact CE-CB 3.5Å; M397-W407 VanDerWaalsContact CE-CB 3.5Å; M397-W407 HydrophobicContact CE-CD2 3.38Å; M397-W407 HydrophobicContact CE-CE3 3.8Å; M397-W407 HydrophobicContact CE-CG 3.2Å; M397-W407 HydrophobicContact CG-CD2 3.77Å; M397-W407 HydrophobicContact CG-CE3 3.99Å; M397-W407 HydrophobicContact CG-CG 4.44Å; M397-W407 HydrophobicContact CG-CH2 3.86Å; M397-W407 HydrophobicContact CG-CZ2 3.66Å; M397-W407 HydrophobicContact CG-CZ3 4Å; M397-W407 PolarHBondContact O-NE1 3.48Å; M397-W407 HydrophobicContact SD-CD2 4.39Å; F402-W407 HydrophobicContact CB-CZ2 3.85Å; F402-W407 HydrophobicContact CD1-CH2 4.2Å; F402-W407 HydrophobicContact CD1-CZ2 4.27Å; F402-W407 HydrophobicContact CD2-CZ2 4.43Å; F402-W407 HydrophobicContact CG-CH2 4.23Å; F402-W407 AromaticContact CG-CZ2 3.95Å; F402-W407 HydrophobicContact CG-CZ2 3.95Å; I405-W407 HydrophobicContact CG2-CD2 4.13Å; I405-W407 HydrophobicContact CG2-CG 4.49Å; I405-W407 HydrophobicContact CG2-CZ2 4.28Å; I405-W407 PolarHBondContact O-N 2.77Å; W407-D409 VanDerWaalsContact C-N 3.32Å; W407-V410 HydrophobicContact CE3-CG2 4.31Å; W407-V410 WeakPolarHBondContact O-CB 3.4Å; W407-V410 PolarHBondContact O-N 3.33Å; W407-Y411 PolarHBondContact O-N 3.37Å; W407-Y411 VanDerWaalsContact O-N 3.09Å
408Q97.9Very high97.9Very high108 Ų10871.9 Ų71.951%0.50538%0.379SS..Hα-helixtrans-67.1-37171.3-171.160.929.500111.4E406 V410 Y411 E412E406-Q408 VanDerWaalsContact C-N 3.28Å; E406-Q408 PolarHBondContact O-N 2.73Å; Q408-V410 VanDerWaalsContact C-N 3.31Å; Q408-Y411 PolarHBondContact O-N 2.99Å; Q408-E412 PolarHBondContact NE2-OE1 3.5Å; Q408-E412 WeakPolarHBondContact O-CB 3.4Å; Q408-E412 WeakPolarHBondContact O-CG 3.46Å; Q408-E412 PolarHBondContact O-N 3.47Å
409D98.4Very high97.8Very high50 Ų5065.9 Ų65.927%0.26735%0.351SS..Hα-helixtrans-71.7-28.1176.9-73.1-12.3000111.9E406 W407 K413 K414 L415E406-D409 HydrophobicContact CB-CB 4.07Å; E406-D409 WeakPolarHBondContact O-CA 3.42Å; E406-D409 WeakPolarHBondContact O-CB 3.47Å; E406-D409 PolarHBondContact O-N 2.84Å; W407-D409 VanDerWaalsContact C-N 3.32Å; D409-K413 PolarHBondContact O-N 3.38Å; D409-K414 HydrophobicContact CB-CB 3.94Å; D409-K414 HydrophobicContact CB-CD 4.06Å; D409-K414 PolarHBondContact O-N 3.17Å; D409-K414 WeakPolarHBondContact OD1-CD 3.15Å; D409-K414 IonicContact OD1-NZ 3.45Å; D409-K414 PolarHBondContact OD1-NZ 3.14Å; D409-L415 HydrophobicContact CB-CD2 4.3Å
410V98.6Very high97.5Very high1 Ų170.6 Ų70.61%0.00637%0.371CS..Hα-helixtrans-60.7-57.1166.8177.90000109.4F203 A249 E250 I405 E406 W407 Q408 E412 K413 L415F203-V410 HydrophobicContact CE2-CG1 3.83Å; F203-V410 WeakPolarHBondContact CE2-O 3.4Å; F203-V410 HydrophobicContact CZ-CG1 4.33Å; F203-V410 WeakPolarHBondContact CZ-O 3.24Å; A249-V410 HydrophobicContact CB-CG1 4.43Å; A249-V410 HydrophobicContact CB-CG2 4.15Å; E250-V410 HydrophobicContact CG-CG1 4.27Å; I405-V410 HydrophobicContact CG2-CG2 3.47Å; I405-V410 VanDerWaalsContact CG2-CG2 3.47Å; E406-V410 PolarHBondContact O-N 2.92Å; E406-V410 VanDerWaalsContact O-N 3.11Å; W407-V410 HydrophobicContact CE3-CG2 4.31Å; W407-V410 WeakPolarHBondContact O-CB 3.4Å; W407-V410 PolarHBondContact O-N 3.33Å; Q408-V410 VanDerWaalsContact C-N 3.31Å; V410-E412 VanDerWaalsContact C-N 3.28Å; V410-E412 PolarHBondContact O-N 2.98Å; V410-K413 PolarHBondContact O-N 2.88Å; V410-L415 HydrophobicContact CG2-CD1 3.54Å; V410-L415 HydrophobicContact CG2-CG 4.26Å
411Y98.2Very high97.2Very high94 Ų9462.9 Ų62.937%0.36934%0.338SS..Hα-helixtrans-57.9-39.5-179.6-177.3-92000112.7H201 P202 W407 Q408 K413H201-Y411 AromaticContact CD2-CD2 3.93Å; H201-Y411 AromaticContact CD2-CE2 3.56Å; H201-Y411 AromaticContact NE2-CD2 3.43Å; H201-Y411 WeakPolarHBondContact NE2-CD2 3.34Å; H201-Y411 AromaticContact NE2-CE2 3.59Å; P202-Y411 HydrophobicContact CG-CD2 4.18Å; P202-Y411 HydrophobicContact CG-CE2 4.35Å; P202-Y411 WeakPolarHBondContact CG-O 3.41Å; W407-Y411 PolarHBondContact O-N 3.37Å; W407-Y411 VanDerWaalsContact O-N 3.09Å; Q408-Y411 PolarHBondContact O-N 2.99Å; Y411-K413 PolarHBondContact O-N 3.36Å
412E98Very high96.9Very high90 Ų9068.8 Ų68.842%0.42137%0.366SS..THydrogen-bonded Turntrans-80.75.2179.8-68.2177-173.100113.9Q408 V410 K414Q408-E412 PolarHBondContact NE2-OE1 3.5Å; Q408-E412 WeakPolarHBondContact O-CB 3.4Å; Q408-E412 WeakPolarHBondContact O-CG 3.46Å; Q408-E412 PolarHBondContact O-N 3.47Å; V410-E412 VanDerWaalsContact C-N 3.28Å; V410-E412 PolarHBondContact O-N 2.98Å; E412-K414 HydrophobicContact CB-CD 4.1Å; E412-K414 HydrophobicContact CB-CG 4.18Å; E412-K414 PolarHBondContact O-N 3.17Å; E412-K414 WeakPolarHBondContact OE2-CE 3.46Å; E412-K414 IonicContact OE2-NZ 2.91Å; E412-K414 PolarHBondContact OE2-NZ 3.25Å
413K98.1Very high96.3Very high65 Ų6570.2 Ų70.228%0.28337%0.374SS..THydrogen-bonded Turntrans54.635.7-177.3-56.4-175.268.1179.40113.4P202 F203 D277 H281 D409 V410 Y411P202-K413 HydrophobicContact CB-CD 4.01Å; P202-K413 HydrophobicContact CB-CG 3.98Å; F203-K413 HydrophobicContact CE1-CD 4.28Å; F203-K413 HydrophobicContact CE1-CG 3.82Å; F203-K413 HydrophobicContact CZ-CG 3.97Å; D277-K413 IonicContact OD2-NZ 3.5Å; D277-K413 PolarHBondContact OD2-NZ 3.01Å; H281-K413 WeakPolarHBondContact CD2-CE 3.33Å; D409-K413 PolarHBondContact O-N 3.38Å; V410-K413 PolarHBondContact O-N 2.88Å; Y411-K413 PolarHBondContact O-N 3.36Å
414K98Very high95.8Very high119 Ų11972.1 Ų72.152%0.51738%0.379SS..  trans-84.7-21.1177.7-74.7166.2168.71680113.2D409 E412D409-K414 HydrophobicContact CB-CB 3.94Å; D409-K414 HydrophobicContact CB-CD 4.06Å; D409-K414 PolarHBondContact O-N 3.17Å; D409-K414 WeakPolarHBondContact OD1-CD 3.15Å; D409-K414 IonicContact OD1-NZ 3.45Å; D409-K414 PolarHBondContact OD1-NZ 3.14Å; E412-K414 HydrophobicContact CB-CD 4.1Å; E412-K414 HydrophobicContact CB-CG 4.18Å; E412-K414 PolarHBondContact O-N 3.17Å; E412-K414 WeakPolarHBondContact OE2-CE 3.46Å; E412-K414 IonicContact OE2-NZ 2.91Å; E412-K414 PolarHBondContact OE2-NZ 3.25Å
415L96.8Very high95.2Very high43 Ų4370.8 Ų70.823%0.22536%0.357CS..SBendtrans-66.1135173.2-60.2-167.1000110.2F246 H281 I405 D409 V410 P417F246-L415 HydrophobicContact CD2-CB 4.12Å; F246-L415 HydrophobicContact CE2-CB 3.69Å; H281-L415 PolarHBondContact CE1-O 3.05Å; I405-L415 HydrophobicContact CD1-CD1 4.16Å; D409-L415 HydrophobicContact CB-CD2 4.3Å; V410-L415 HydrophobicContact CG2-CD1 3.54Å; V410-L415 HydrophobicContact CG2-CG 4.26Å; L415-P417 WeakPolarHBondContact O-CD 3.47Å
416V97Very high94.3Very high128 Ų12874.5 Ų74.578%0.77637%0.374SS*.PPolyproline II helixtrans-79123.7-179.6-1800000109.6
417P97.4Very high93.6Very high27 Ų2771 Ų7118%0.17536%0.361CS..PPolyproline II helixtrans-60.5130176.4-26.636.6000112.1F246 D279 H281 L415 F419F246-P417 HydrophobicContact CE1-CB 4.18Å; F246-P417 HydrophobicContact CE1-CG 4.48Å; F246-P417 HydrophobicContact CE2-CG 4.5Å; F246-P417 HydrophobicContact CZ-CB 3.91Å; F246-P417 HydrophobicContact CZ-CG 3.82Å; D279-P417 WeakPolarHBondContact O-CG 3.46Å; H281-P417 WeakPolarHBondContact NE2-CG 3.28Å; L415-P417 WeakPolarHBondContact O-CD 3.47Å; P417-F419 PolarHBondContact O-N 3.15Å
418P96.4Very high92.9Very high67 Ų6769.8 Ų69.844%0.43536%0.358SS..SBendtrans-70.6-15.8178.829.5-36.3000112.5R243 F246R243-P418 HydrophobicContact CB-CB 4.42Å; R243-P418 HydrophobicContact CB-CG 4.11Å; R243-P418 HydrophobicContact CG-CB 4.48Å; R243-P418 HydrophobicContact CG-CG 3.85Å; F246-P418 HydrophobicContact CB-CG 4.06Å; F246-P418 VanDerWaalsContact CD1-CD 3.42Å; F246-P418 HydrophobicContact CD1-CG 4.08Å; F246-P418 VanDerWaalsContact CG-CD 3.42Å; F246-P418 HydrophobicContact CG-CG 4.06Å
419F95.5Very high92.2Very high34 Ų3465.3 Ų65.315%0.14934%0.338CS..  trans-136.4124.2175.4169.7-99000109.3H232 L276 G280 P417 P421H232-F419 AromaticContact CE1-CE1 3.52Å; H232-F419 AromaticContact CE1-CZ 3.71Å; H232-F419 AromaticContact ND1-CE1 3.62Å; H232-F419 AromaticContact ND1-CZ 3.64Å; L276-F419 HydrophobicContact CD1-CD1 3.74Å; L276-F419 HydrophobicContact CD1-CE1 3.95Å; G280-F419 WeakPolarHBondContact CA-O 3.33Å; P417-F419 PolarHBondContact O-N 3.15Å; F419-P421 HydrophobicContact CD1-CG 4.34Å; F419-P421 HydrophobicContact CE1-CB 4.28Å; F419-P421 HydrophobicContact CE1-CG 3.87Å
420K93.7Very high91.7Very high128 Ų12868.9 Ų68.956%0.55735%0.347SS*.  trans-103.9118.8172.7-170.8170.1-175170.20109.9Q422K420-Q422 PolarHBondContact O-N 3.09Å; K420-Q422 PolarHBondContact O-NE2 2.86Å
421P92.1Very high91Very high6 Ų669.7 Ų69.74%0.03935%0.35CS..  trans-56.3137.3175.9-26.435.7000111.9L276 D277 F419 V423 Y431L276-P421 HydrophobicContact CB-CG 4.19Å; L276-P421 HydrophobicContact CD1-CG 4.36Å; D277-P421 WeakPolarHBondContact O-CG 3.24Å; F419-P421 HydrophobicContact CD1-CG 4.34Å; F419-P421 HydrophobicContact CE1-CB 4.28Å; F419-P421 HydrophobicContact CE1-CG 3.87Å; P421-V423 HydrophobicContact CB-CG1 4.34Å; P421-V423 PolarHBondContact O-N 2.82Å; P421-Y431 HydrophobicContact CB-CD2 4.5Å; P421-Y431 HydrophobicContact CB-CE2 3.83Å
422Q90.9Very high90.2Very high126 Ų12666.1 Ų66.159%0.58934%0.337SS*.  trans-8755.2-178.4-61.1-64.9-37.700110.6K420 R430 Y431K420-Q422 PolarHBondContact O-N 3.09Å; K420-Q422 PolarHBondContact O-NE2 2.86Å; Q422-R430 VanDerWaalsContact O-CD 3.29Å; Q422-R430 WeakPolarHBondContact O-CD 3.47Å; Q422-R430 PolarHBondContact O-NE 2.96Å; Q422-R430 VanDerWaalsContact O-NE 3.12Å; Q422-R430 PolarHBondContact O-NH1 2.9Å; Q422-Y431 WeakPolarHBondContact CB-OH 3.35Å; Q422-Y431 PolarHBondContact N-OH 2.9Å
423V87.9Confident89.3Confident32 Ų3265.9 Ų65.919%0.19434%0.338CS..  trans-85.5132176.3-67.50000110.2N225 K278 P421 D428 Y431N225-V423 WeakPolarHBondContact O-CG1 3.23Å; K278-V423 HydrophobicContact CB-CG2 4.15Å; P421-V423 HydrophobicContact CB-CG1 4.34Å; P421-V423 PolarHBondContact O-N 2.82Å; V423-D428 HydrophobicContact CB-CB 4.16Å; V423-D428 HydrophobicContact CG1-CB 4.42Å; V423-Y431 HydrophobicContact CG1-CD2 3.87Å; V423-Y431 HydrophobicContact CG1-CE2 3.74Å
424T85.6Confident88.5Confident117 Ų11768.3 Ų68.372%0.71836%0.359SS*.SBendtrans-93.2-16.6-179.254.20000113.8D428T424-D428 PolarHBondContact N-OD2 3.48Å; T424-D428 PolarHBondContact OG1-OD2 3.01Å; T424-D428 VanDerWaalsContact OG1-OD2 3.13Å
425S83.6Confident87.7Confident51 Ų5168.8 Ų68.836%0.35736%0.363SS..SBendtrans-155.6167.2178.164.50000111.1N225 T427 D428N225-S425 PolarHBondContact ND2-O 3.32Å; S425-T427 PolarHBondContact O-N 2.9Å; S425-T427 PolarHBondContact OG-N 3.42Å; S425-T427 PolarHBondContact OG-OG1 3.49Å; S425-D428 VanDerWaalsContact O-CB 3.3Å; S425-D428 WeakPolarHBondContact O-CB 3.18Å; S425-D428 PolarHBondContact O-N 2.77Å; S425-D428 PolarHBondContact OG-N 3.14Å
426E79.5Confident86.9Confident108 Ų10869.2 Ų69.251%0.50536%0.363SS..THydrogen-bonded Turntrans-66.1-12.8173.6-62.1-176.1171.500113.1Y169 Y223Y169-E426 HydrophobicContact CD2-CB 3.6Å; Y169-E426 WeakPolarHBondContact CD2-OE2 3.33Å; Y169-E426 HydrophobicContact CE2-CB 3.88Å; Y169-E426 WeakPolarHBondContact CE2-OE2 3.43Å; Y169-E426 HydrophobicContact CG-CB 4.31Å; Y223-E426 WeakPolarHBondContact CE1-O 3.4Å
427T83.4Confident86.2Confident54 Ų5463.8 Ų63.833%0.33133%0.33SS..THydrogen-bonded Turntrans-100.9-1.917453.30000113.6L147 Y169 S425 T429L147-T427 HydrophobicContact CD1-CG2 4.33Å; Y169-T427 HydrophobicContact CD1-CG2 3.81Å; Y169-T427 HydrophobicContact CE1-CG2 3.11Å; Y169-T427 HydrophobicContact CE2-CG2 4.3Å; Y169-T427 VanDerWaalsContact CZ-CG2 3.4Å; S425-T427 PolarHBondContact O-N 2.9Å; S425-T427 PolarHBondContact OG-N 3.42Å; S425-T427 PolarHBondContact OG-OG1 3.49Å; T427-T429 WeakPolarHBondContact O-CG2 3.34Å; T427-T429 PolarHBondContact O-N 3.43Å
428D84.6Confident85Confident18 Ų1865.7 Ų65.710%0.09635%0.354CS..  trans-64.8122.2179.5-166.4-19.5000109V423 T424 S425 R430V423-D428 HydrophobicContact CB-CB 4.16Å; V423-D428 HydrophobicContact CG1-CB 4.42Å; T424-D428 PolarHBondContact N-OD2 3.48Å; T424-D428 PolarHBondContact OG1-OD2 3.01Å; T424-D428 VanDerWaalsContact OG1-OD2 3.13Å; S425-D428 VanDerWaalsContact O-CB 3.3Å; S425-D428 WeakPolarHBondContact O-CB 3.18Å; S425-D428 PolarHBondContact O-N 2.77Å; S425-D428 PolarHBondContact OG-N 3.14Å; D428-R430 VanDerWaalsContact OD1-CB 3.28Å; D428-R430 WeakPolarHBondContact OD1-CB 3.41Å; D428-R430 WeakPolarHBondContact OD1-CG 3.23Å; D428-R430 PolarHBondContact OD1-N 2.88Å; D428-R430 IonicContact OD1-NE 3.28Å; D428-R430 PolarHBondContact OD1-NE 2.98Å; D428-R430 IonicContact OD2-CZ 2.71Å; D428-R430 VanDerWaalsContact OD2-CZ 3.28Å; D428-R430 IonicContact OD2-NE 3.29Å; D428-R430 PolarHBondContact OD2-NE 3.46Å; D428-R430 IonicContact OD2-NH2 2.63Å; D428-R430 PolarHBondContact OD2-NH2 2.94Å; D428-R430 VanDerWaalsContact OD2-NH2 3.07Å
429T83.1Confident84.3Confident14 Ų1466.1 Ų66.19%0.08635%0.351CS..  trans-118.820.3-174.343.70000111.4K148 L150 L160 T427 Y431 F432K148-T429 HydrophobicContact CB-CG2 4.39Å; K148-T429 HydrophobicContact CD-CG2 3.52Å; K148-T429 WeakPolarHBondContact CD-OG1 3.08Å; K148-T429 WeakPolarHBondContact CE-OG1 3.31Å; K148-T429 PolarHBondContact NZ-OG1 3.42Å; L150-T429 HydrophobicContact CD2-CG2 4.16Å; L160-T429 HydrophobicContact CD2-CG2 4.06Å; T427-T429 WeakPolarHBondContact O-CG2 3.34Å; T427-T429 PolarHBondContact O-N 3.43Å; T429-Y431 PolarHBondContact O-N 3.32Å; T429-Y431 VanDerWaalsContact O-N 3.09Å; T429-F432 HydrophobicContact CG2-CD2 4.18Å; T429-F432 PolarHBondContact O-N 3.25Å
430R86.4Confident83.5Confident124 Ų12470.5 Ų70.547%0.46838%0.38SS..THydrogen-bonded Turntrans-58-22.1-179.967.8176.956.9-160.5-6.5115Q422 D428Q422-R430 VanDerWaalsContact O-CD 3.29Å; Q422-R430 WeakPolarHBondContact O-CD 3.47Å; Q422-R430 PolarHBondContact O-NE 2.96Å; Q422-R430 VanDerWaalsContact O-NE 3.12Å; Q422-R430 PolarHBondContact O-NH1 2.9Å; D428-R430 VanDerWaalsContact OD1-CB 3.28Å; D428-R430 WeakPolarHBondContact OD1-CB 3.41Å; D428-R430 WeakPolarHBondContact OD1-CG 3.23Å; D428-R430 PolarHBondContact OD1-N 2.88Å; D428-R430 IonicContact OD1-NE 3.28Å; D428-R430 PolarHBondContact OD1-NE 2.98Å; D428-R430 IonicContact OD2-CZ 2.71Å; D428-R430 VanDerWaalsContact OD2-CZ 3.28Å; D428-R430 IonicContact OD2-NE 3.29Å; D428-R430 PolarHBondContact OD2-NE 3.46Å; D428-R430 IonicContact OD2-NH2 2.63Å; D428-R430 PolarHBondContact OD2-NH2 2.94Å; D428-R430 VanDerWaalsContact OD2-NH2 3.07Å
431Y84.6Confident82.8Confident18 Ų1866.9 Ų66.97%0.07137%0.367CS..THydrogen-bonded Turntrans-99.510.6-179.3-59.5-61000113F231 H232 P421 Q422 V423 T429F231-Y431 HydrophobicContact CD1-CD1 4.08Å; F231-Y431 AromaticContact CE1-CD1 3.63Å; F231-Y431 HydrophobicContact CE1-CD1 3.63Å; F231-Y431 HydrophobicContact CE1-CE1 4.23Å; F231-Y431 HydrophobicContact CZ-CD1 4.45Å; H232-Y431 AromaticContact CE1-CD1 3.75Å; H232-Y431 AromaticContact CE1-CE1 3.74Å; P421-Y431 HydrophobicContact CB-CD2 4.5Å; P421-Y431 HydrophobicContact CB-CE2 3.83Å; Q422-Y431 WeakPolarHBondContact CB-OH 3.35Å; Q422-Y431 PolarHBondContact N-OH 2.9Å; V423-Y431 HydrophobicContact CG1-CD2 3.87Å; V423-Y431 HydrophobicContact CG1-CE2 3.74Å; T429-Y431 PolarHBondContact O-N 3.32Å; T429-Y431 VanDerWaalsContact O-N 3.09Å
432F81.4Confident81.8Confident20 Ų2071.6 Ų71.69%0.08840%0.395CS..SBendtrans-108.8150.6172.7-67.6-92.6000109.8L150 Y223 M275 T429 V434 T437L150-F432 HydrophobicContact CB-CD1 4.05Å; L150-F432 HydrophobicContact CB-CE1 4.07Å; L150-F432 HydrophobicContact CD1-CE1 4.31Å; L150-F432 HydrophobicContact CD2-CD1 3.73Å; L150-F432 HydrophobicContact CD2-CD2 4.2Å; L150-F432 HydrophobicContact CD2-CE1 3.76Å; L150-F432 HydrophobicContact CD2-CE2 4.24Å; L150-F432 HydrophobicContact CD2-CG 3.95Å; L150-F432 HydrophobicContact CD2-CZ 4.03Å; L150-F432 HydrophobicContact CG-CD1 4.42Å; L150-F432 HydrophobicContact CG-CE1 4.26Å; Y223-F432 HydrophobicContact CE2-CE1 4.31Å; Y223-F432 AromaticContact CE2-CE2 3.92Å; Y223-F432 HydrophobicContact CE2-CE2 3.92Å; Y223-F432 AromaticContact CE2-CZ 3.46Å; Y223-F432 HydrophobicContact CE2-CZ 3.46Å; Y223-F432 VanDerWaalsContact CE2-CZ 3.46Å; Y223-F432 AromaticContact CZ-CE2 3.8Å; Y223-F432 AromaticContact CZ-CZ 3.86Å; Y223-F432 WeakPolarHBondContact OH-CE2 3.5Å; Y223-F432 WeakPolarHBondContact OH-CZ 3.37Å; M275-F432 HydrophobicContact CE-CE1 3.82Å; M275-F432 HydrophobicContact CE-CZ 3.8Å; T429-F432 HydrophobicContact CG2-CD2 4.18Å; T429-F432 PolarHBondContact O-N 3.25Å; F432-V434 PolarHBondContact O-N 2.78Å; F432-T437 HydrophobicContact CB-CG2 3.48Å; F432-T437 VanDerWaalsContact CB-CG2 3.48Å; F432-T437 HydrophobicContact CG-CG2 4.47Å
433D79.6Confident80.6Confident84 Ų8468.1 Ų68.145%0.44938%0.38SS..  trans-59.6131.9-178.8-158.5-41.2000111.5E435 F436 T437D433-E435 PolarHBondContact O-N 3.04Å; D433-E435 WeakPolarHBondContact OD1-CB 3.31Å; D433-E435 PolarHBondContact OD1-N 3Å; D433-F436 HydrophobicContact CB-CD2 3.54Å; D433-F436 HydrophobicContact CB-CE2 3.81Å; D433-F436 HydrophobicContact CB-CG 4.48Å; D433-F436 PolarHBondContact O-N 2.65Å; D433-T437 WeakPolarHBondContact O-CG2 3.17Å; D433-T437 PolarHBondContact O-N 2.84Å; D433-T437 PolarHBondContact O-OG1 3.24Å
434V80.6Confident79.2Confident117 Ų11771 Ų7171%0.70940%0.398SS*.Hα-helixtrans-65.2-26.9176.6-66.60000112F432 F436 G438F432-V434 PolarHBondContact O-N 2.78Å; V434-F436 VanDerWaalsContact C-N 3.26Å; V434-F436 PolarHBondContact O-N 3.43Å; V434-G438 PolarHBondContact O-N 2.66Å
435E81.1Confident77.7Confident128 Ų12870.1 Ų70.160%0.59839%0.394SS*.Hα-helixtrans-58.8-40.6173.7-172.9-176.3164.500110.9D433 Q439D433-E435 PolarHBondContact O-N 3.04Å; D433-E435 WeakPolarHBondContact OD1-CB 3.31Å; D433-E435 PolarHBondContact OD1-N 3Å; E435-Q439 VanDerWaalsContact O-CG 3.28Å; E435-Q439 WeakPolarHBondContact O-CG 3.42Å; E435-Q439 PolarHBondContact O-NE2 3.08Å
436F80.9Confident76Confident53 Ų5371.4 Ų71.423%0.23240%0.402CS..Hα-helixtrans-82.7-49.2177.1-55.5-52.1000111L149 K152 D433 V434 G438 Q439L149-F436 HydrophobicContact CD2-CB 4.3Å; L149-F436 HydrophobicContact CG-CB 4.28Å; L149-F436 CarbonylContact O-C 3.53Å; K152-F436 HydrophobicContact CB-CD1 4.44Å; K152-F436 HydrophobicContact CB-CE1 4.34Å; D433-F436 HydrophobicContact CB-CD2 3.54Å; D433-F436 HydrophobicContact CB-CE2 3.81Å; D433-F436 HydrophobicContact CB-CG 4.48Å; D433-F436 PolarHBondContact O-N 2.65Å; V434-F436 VanDerWaalsContact C-N 3.26Å; V434-F436 PolarHBondContact O-N 3.43Å; F436-G438 PolarHBondContact O-N 3.06Å; F436-Q439 WeakPolarHBondContact O-CB 3.36Å; F436-Q439 PolarHBondContact O-N 3.49Å
437T81.1Confident74.3Confident13 Ų1368.3 Ų68.38%0.0840%0.399CS..Hα-helixtrans-73.9-16.4-16971.40000114.1K148 L149 F432 D433K148-T437 HydrophobicContact CD-CG2 3.91Å; K148-T437 VanDerWaalsContact CE-CB 3.42Å; K148-T437 VanDerWaalsContact CE-O 3.23Å; K148-T437 WeakPolarHBondContact CE-O 3.34Å; K148-T437 HydrophobicContact CG-CG2 4.33Å; K148-T437 PolarHBondContact NZ-OG1 3.44Å; K148-T437 VanDerWaalsContact NZ-OG1 3.12Å; L149-T437 WeakPolarHBondContact O-CA 3.22Å; L149-T437 WeakPolarHBondContact O-CG2 3.34Å; F432-T437 HydrophobicContact CB-CG2 3.48Å; F432-T437 VanDerWaalsContact CB-CG2 3.48Å; F432-T437 HydrophobicContact CG-CG2 4.47Å; D433-T437 WeakPolarHBondContact O-CG2 3.17Å; D433-T437 PolarHBondContact O-N 2.84Å; D433-T437 PolarHBondContact O-OG1 3.24Å
438G73.3Confident72.3Confident67 Ų6775.6 Ų75.669%0.69143%0.429SS*.THydrogen-bonded Turntrans-82.6-9170.500000114.6V434 F436V434-G438 PolarHBondContact O-N 2.66Å; F436-G438 PolarHBondContact O-N 3.06Å
439Q81.4Confident70.1Confident77 Ų7781.9 Ų81.936%0.3646%0.462SS..SBendtrans-76.7142.4-179.9-70.3175.839.300111.9L149 E435 F436L149-Q439 HydrophobicContact CD2-CB 4.05Å; E435-Q439 VanDerWaalsContact O-CG 3.28Å; E435-Q439 WeakPolarHBondContact O-CG 3.42Å; E435-Q439 PolarHBondContact O-NE2 3.08Å; F436-Q439 WeakPolarHBondContact O-CB 3.36Å; F436-Q439 PolarHBondContact O-N 3.49Å
440T79.1Confident68.2Low126 Ų12683.3 Ų83.377%0.77347%0.47SS*.  trans-69.8135.1170.446.80000110.6T442T440-T442 PolarHBondContact O-N 2.94Å; T440-T442 VanDerWaalsContact O-N 3.15Å
441I79.4Confident66Low52 Ų5282.7 Ų82.727%0.26748%0.484SS..  trans-80.5101.4179-59.3170.5000108.9L147 I159 I443L147-I441 WeakPolarHBondContact O-CD1 3.4Å; I159-I441 HydrophobicContact CD1-CG2 4.02Å; I159-I441 HydrophobicContact CG2-CD1 3.89Å; I441-I443 HydrophobicContact CG2-CD1 4.31Å; I441-I443 HydrophobicContact CG2-CG1 4.02Å
442T70.1Confident64.1Low105 Ų10587.9 Ų87.964%0.64451%0.51SS*.  trans-101.2107.4168.2-45.20000109.1K157 T440K157-T442 PolarHBondContact NZ-O 3.28Å; T440-T442 PolarHBondContact O-N 2.94Å; T440-T442 VanDerWaalsContact O-N 3.15Å
443I65.8Low62.4Low52 Ų5295.1 Ų95.127%0.26755%0.545SS..  trans-94.4115.1166-61.9175.6000105.9M141 Y146 I159 I441 P445M141-I443 HydrophobicContact CE-CD1 4.39Å; M141-I443 HydrophobicContact CE-CG2 4.41Å; Y146-I443 HydrophobicContact CD1-CD1 3.25Å; Y146-I443 HydrophobicContact CD2-CD1 3.65Å; Y146-I443 HydrophobicContact CE1-CD1 3.18Å; Y146-I443 HydrophobicContact CE2-CD1 3.64Å; Y146-I443 HydrophobicContact CG-CD1 3.48Å; Y146-I443 VanDerWaalsContact CG-CD1 3.48Å; Y146-I443 VanDerWaalsContact CZ-CD1 3.4Å; I159-I443 HydrophobicContact CD1-CD1 4.27Å; I159-I443 HydrophobicContact CD1-CG1 4.39Å; I441-I443 HydrophobicContact CG2-CD1 4.31Å; I441-I443 HydrophobicContact CG2-CG1 4.02Å; I443-P445 VanDerWaalsContact O-CD 3.25Å; I443-P445 WeakPolarHBondContact O-CD 3.41Å; I443-P445 VanDerWaalsContact O-N 3.13Å
444T58.5Low60.8Low94 Ų9495.4 Ų95.458%0.57755%0.554SS**PPolyproline II helixtrans-57.7118.1169.8-43.60000106.9
445P53.4Low59.4Low98 Ų9895.3 Ų95.364%0.63654%0.544SS*.PPolyproline II helixtrans-56.5150.8174.2-19.530.8000109.4I443 G447I443-P445 VanDerWaalsContact O-CD 3.25Å; I443-P445 WeakPolarHBondContact O-CD 3.41Å; I443-P445 VanDerWaalsContact O-N 3.13Å; P445-G447 PolarHBondContact O-N 3.23Å
446P49.9Very low58.1Low78 Ų7895.1 Ų95.151%0.50655%0.547SS..PPolyproline II helixtrans-51139.5164.2-17.228.6000108.6Q448P446-Q448 PolarHBondContact O-N 3.24Å
447G43.4Very low57.2Low43 Ų4394.8 Ų94.844%0.44355%0.551SS.*PPolyproline II helixtrans-58139.9-179.500000109.8P445 N449 D450P445-G447 PolarHBondContact O-N 3.23Å; G447-N449 PolarHBondContact O-N 3.25Å; G447-D450 PolarHBondContact N-OD2 3.38Å; G447-D450 WeakPolarHBondContact O-CB 3.45Å; G447-D450 PolarHBondContact O-N 3.19Å
448Q40.7Very low56.1Low206 Ų206101.5 Ų101.596%0.96359%0.586SS**THydrogen-bonded Turntrans-610.2-176.4-84.9178.3-16.300115.2P446P446-Q448 PolarHBondContact O-N 3.24Å
449N39.1Very low55Low150 Ų150107.3 Ų107.380%0.80259%0.588SS**THydrogen-bonded Turntrans-1031.6172.6-82.8-1.8000114.3G447 S451G447-N449 PolarHBondContact O-N 3.25Å; N449-S451 VanDerWaalsContact C-N 3.29Å; N449-S451 PolarHBondContact O-N 3.3Å
450D42.9Very low54.1Low45 Ų45107.5 Ų107.524%0.24159%0.585CS.*  trans-8937.7-172.9-69.1-30.2000113.8P214 G447 M452P214-D450 HydrophobicContact CG-CB 4.24Å; G447-D450 PolarHBondContact N-OD2 3.38Å; G447-D450 WeakPolarHBondContact O-CB 3.45Å; G447-D450 PolarHBondContact O-N 3.19Å; D450-M452 VanDerWaalsContact C-N 3.25Å; D450-M452 PolarHBondContact O-N 3.46Å; D450-M452 VanDerWaalsContact O-N 3.15Å
451S40.1Very low53.5Low110 Ų110103 Ų10377%0.76956%0.558SS**  trans-84.766.6167.660.10000110.5N449N449-S451 VanDerWaalsContact C-N 3.29Å; N449-S451 PolarHBondContact O-N 3.3Å
452M43.8Very low53.3Low127 Ų127106.3 Ų106.363%0.62657%0.572SS**  trans-158.7113.6166.6-125.1146.9-179.700110D450 S454 F455D450-M452 VanDerWaalsContact C-N 3.25Å; D450-M452 PolarHBondContact O-N 3.46Å; D450-M452 VanDerWaalsContact O-N 3.15Å; M452-S454 PolarHBondContact O-N 2.95Å; M452-F455 HydrophobicContact CB-CD2 4.15Å; M452-F455 HydrophobicContact CB-CE2 4.21Å
453E46.6Very low53.2Low172 Ų172101.5 Ų101.580%0.80454%0.542SS*.THydrogen-bonded Turntrans-64.915.7174.4-73.9-169134.200113.3K138K138-E453 IonicContact NZ-OE1 3.72Å; K138-E453 PolarHBondContact NZ-OE1 2.68Å; K138-E453 IonicContact NZ-OE2 2.8Å
454S44.9Very low53.5Low91 Ų91102.7 Ų102.764%0.63655%0.553SS**THydrogen-bonded Turntrans-137.335.2-172.771.80000114.1M452 D456M452-S454 PolarHBondContact O-N 2.95Å; S454-D456 PolarHBondContact O-N 3.43Å
455F50.9Low53.9Low114 Ų114102.9 Ų102.950%0.555%0.548SS..  trans-82.392.2165.3-93.7-86.6000109.2M452M452-F455 HydrophobicContact CB-CD2 4.15Å; M452-F455 HydrophobicContact CB-CE2 4.21Å
456D55.4Low54.8Low124 Ų12498.6 Ų98.666%0.66352%0.519SS*.  trans-98.1118.1163-159.818.9000108S454 P461 H462S454-D456 PolarHBondContact O-N 3.43Å; D456-P461 WeakPolarHBondContact OD1-CA 3.33Å; D456-H462 PolarHBondContact OD1-N 3.22Å
457S60.9Low56Low46 Ų46100 Ų10032%0.32253%0.531SS..BIsolated β-bridgetrans-146.7151.7177.165.70000109.2R459 R460 P461S457-R459 PolarHBondContact O-N 3.39Å; S457-R460 CarbonylContact O-C 3.58Å; S457-R460 PolarHBondContact O-N 3.19Å; S457-R460 PolarHBondContact OG-N 2.98Å; S457-P461 VanDerWaalsContact O-N 3.13Å
458D59.2Low57.6Low154 Ų154101.2 Ų101.282%0.82452%0.522SS*.THydrogen-bonded Turntrans-52.5-28.4-177.2-60.5-24.6000113.7
459R49.9Very low59.2Low190 Ų19093.1 Ų93.172%0.71749%0.488SS*.THydrogen-bonded Turntrans-94.1-18.3179.4-63.7-174.6179.2-174.40.2114.2E178 S457E178-R459 WeakPolarHBondContact CA-O 3.29Å; E178-R459 WeakPolarHBondContact CG-O 3.33Å; S457-R459 PolarHBondContact O-N 3.39Å
460R61.9Low60.8Low81 Ų8186.9 Ų86.931%0.30646%0.458SS..BIsolated β-bridgetrans-136.865.8179.5-61.7-179.2-172.7177.12.4109.7E178 S457E178-R460 HydrophobicContact CG-CG 4.02Å; E178-R460 IonicContact OE1-CZ 2.94Å; E178-R460 VanDerWaalsContact OE1-CZ 3.23Å; E178-R460 IonicContact OE1-NE 2.91Å; E178-R460 PolarHBondContact OE1-NE 2.97Å; E178-R460 IonicContact OE1-NH2 3.09Å; E178-R460 PolarHBondContact OE1-NH2 2.76Å; S457-R460 CarbonylContact O-C 3.58Å; S457-R460 PolarHBondContact O-N 3.19Å; S457-R460 PolarHBondContact OG-N 2.98Å
461P67.7Low61.5Low32 Ų3289.9 Ų89.921%0.20848%0.482CS..  trans-69.4154.8-178.226.2-31.6000110.6K177 V181 D456 S457 F463K177-P461 WeakPolarHBondContact CE-O 3.4Å; K177-P461 PolarHBondContact NZ-O 3.15Å; V181-P461 HydrophobicContact CG2-CG 3.99Å; D456-P461 WeakPolarHBondContact OD1-CA 3.33Å; S457-P461 VanDerWaalsContact O-N 3.13Å; P461-F463 HydrophobicContact CG-CD2 4.26Å; P461-F463 HydrophobicContact CG-CE2 3.64Å; P461-F463 HydrophobicContact CG-CZ 4.11Å; P461-F463 WeakPolarHBondContact O-CD2 3.2Å; P461-F463 PolarHBondContact O-N 3.28Å
462H73.9Confident61.5Low120 Ų12087.7 Ų87.756%0.55648%0.477SS*.  trans-77.6115.9166-178.4-82.2000109.5Q212 D456Q212-H462 PolarHBondContact NE2-CE1 3.36Å; Q212-H462 PolarHBondContact NE2-NE2 3.4Å; Q212-H462 VanDerWaalsContact NE2-NE2 3.19Å; D456-H462 PolarHBondContact OD1-N 3.22Å
463F68.8Low60.8Low5 Ų587.2 Ų87.22%0.02248%0.482CS..  trans-84.1131.7-178.1-76-108.9000110.5K177 I180 V186 L190 Q212 L217 P461 F466K177-F463 HydrophobicContact CB-CE2 4.35Å; K177-F463 HydrophobicContact CD-CD2 4.2Å; K177-F463 HydrophobicContact CD-CE2 4.08Å; K177-F463 HydrophobicContact CG-CD2 4.35Å; K177-F463 HydrophobicContact CG-CE2 3.9Å; I180-F463 HydrophobicContact CG2-CZ 4.32Å; V186-F463 HydrophobicContact CB-CE1 4.34Å; V186-F463 HydrophobicContact CG1-CE1 3.82Å; V186-F463 HydrophobicContact CG2-CE1 4.18Å; V186-F463 HydrophobicContact CG2-CZ 4.16Å; L190-F463 HydrophobicContact CD2-CD1 4.02Å; L190-F463 HydrophobicContact CG-CD1 4.23Å; Q212-F463 PolarHBondContact NE2-O 2.84Å; L217-F463 HydrophobicContact CD1-CD1 3.9Å; L217-F463 HydrophobicContact CD1-CD2 4.01Å; L217-F463 HydrophobicContact CD1-CE1 3.96Å; L217-F463 HydrophobicContact CD1-CE2 4.08Å; L217-F463 HydrophobicContact CD1-CG 3.93Å; L217-F463 HydrophobicContact CD1-CZ 4.07Å; L217-F463 HydrophobicContact CD2-CB 3.99Å; L217-F463 HydrophobicContact CD2-CD2 3.84Å; L217-F463 HydrophobicContact CD2-CG 3.95Å; L217-F463 HydrophobicContact CG-CD2 4.33Å; P461-F463 HydrophobicContact CG-CD2 4.26Å; P461-F463 HydrophobicContact CG-CE2 3.64Å; P461-F463 HydrophobicContact CG-CZ 4.11Å; P461-F463 WeakPolarHBondContact O-CD2 3.2Å; P461-F463 PolarHBondContact O-N 3.28Å; F463-F466 HydrophobicContact CB-CD2 3.59Å; F463-F466 HydrophobicContact CB-CE2 3.95Å; F463-F466 HydrophobicContact CB-CG 4.46Å; F463-F466 HydrophobicContact CD1-CE2 4.42Å; F463-F466 HydrophobicContact CG-CE2 4.49Å
464P70.7Confident60Low76 Ų7687.2 Ų87.249%0.49451%0.511SS..THydrogen-bonded Turntrans-66.4155.6174.128.2-34.2000111.3L190 F466L190-P464 HydrophobicContact CD2-CG 4.2Å; P464-F466 VanDerWaalsContact C-N 3.27Å; P464-F466 WeakPolarHBondContact O-CD2 3.41Å; P464-F466 PolarHBondContact O-N 2.77Å
465Q68.8Low60.7Low99 Ų9987.1 Ų87.146%0.46351%0.505SS..THydrogen-bonded Turntrans6613.4174.3-55.6175.4-20.600116.6N193 Q197 S467N193-Q465 PolarHBondContact ND2-O 2.76Å; Q197-Q465 PolarHBondContact NE2-O 2.85Å; Q465-S467 PolarHBondContact O-N 2.63Å
466F70.9Confident61.3Low8 Ų885.6 Ų85.64%0.03551%0.505CS..  trans-95.459.6171.1-81.7-93000111.9T189 L190 N193 S210 F211 Q212 L217 F219 F463 P464T189-F466 HydrophobicContact CG2-CZ 4.08Å; L190-F466 HydrophobicContact CD2-CE2 4.09Å; N193-F466 HydrophobicContact CB-CE2 4.27Å; N193-F466 HydrophobicContact CB-CZ 4.02Å; S210-F466 CarbonylContact O-C 3.59Å; S210-F466 VanDerWaalsContact O-C 3.31Å; F211-F466 WeakPolarHBondContact CA-O 3.34Å; Q212-F466 HydrophobicContact CB-CB 4.08Å; Q212-F466 HydrophobicContact CG-CB 4.15Å; L217-F466 HydrophobicContact CB-CD1 4.3Å; L217-F466 HydrophobicContact CB-CE1 3.81Å; L217-F466 HydrophobicContact CB-CZ 4.22Å; L217-F466 HydrophobicContact CD1-CE1 4.2Å; L217-F466 HydrophobicContact CD1-CE2 4.06Å; L217-F466 HydrophobicContact CD1-CZ 3.76Å; L217-F466 HydrophobicContact CD2-CD1 3.91Å; L217-F466 HydrophobicContact CD2-CD2 4.11Å; L217-F466 HydrophobicContact CD2-CE1 4.02Å; L217-F466 HydrophobicContact CD2-CE2 4.2Å; L217-F466 HydrophobicContact CD2-CG 3.96Å; L217-F466 HydrophobicContact CD2-CZ 4.16Å; L217-F466 HydrophobicContact CG-CE1 4.22Å; L217-F466 HydrophobicContact CG-CZ 4.27Å; F219-F466 HydrophobicContact CD1-CE1 4.41Å; F219-F466 AromaticContact CE1-CE1 3.73Å; F219-F466 HydrophobicContact CE1-CE1 3.73Å; F219-F466 AromaticContact CE1-CZ 3.93Å; F219-F466 HydrophobicContact CE1-CZ 3.93Å; F219-F466 AromaticContact CE2-CE1 3.87Å; F219-F466 HydrophobicContact CE2-CE1 3.87Å; F219-F466 HydrophobicContact CE2-CZ 4.15Å; F219-F466 AromaticContact CZ-CE1 3.44Å; F219-F466 HydrophobicContact CZ-CE1 3.44Å; F219-F466 VanDerWaalsContact CZ-CE1 3.44Å; F219-F466 AromaticContact CZ-CZ 3.45Å; F219-F466 HydrophobicContact CZ-CZ 3.45Å; F219-F466 VanDerWaalsContact CZ-CZ 3.45Å; F463-F466 HydrophobicContact CB-CD2 3.59Å; F463-F466 HydrophobicContact CB-CE2 3.95Å; F463-F466 HydrophobicContact CB-CG 4.46Å; F463-F466 HydrophobicContact CD1-CE2 4.42Å; F463-F466 HydrophobicContact CG-CE2 4.49Å; P464-F466 VanDerWaalsContact C-N 3.27Å; P464-F466 WeakPolarHBondContact O-CD2 3.41Å; P464-F466 PolarHBondContact O-N 2.77Å
467S75.3Confident61.6Low108 Ų10883.5 Ų83.576%0.75550%0.496SS*.EExtended strand (participates in β ladder)trans-147.327.9174.954.70000111.6S210 Q465S210-S467 CarbonylContact O-C 3.55Å; S210-S467 WeakPolarHBondContact O-CA 3.19Å; S210-S467 PolarHBondContact O-N 3.28Å; Q465-S467 PolarHBondContact O-N 2.63Å
468Y76.8Confident61.6Low67 Ų6785.7 Ų85.726%0.26351%0.506SS..EExtended strand (participates in β ladder)trans-81.7139.3-173.5179.1-96.7000112.1Q197 L207 Y209 S210 A470Q197-Y468 HydrophobicContact CB-CD2 4.19Å; Q197-Y468 HydrophobicContact CB-CE2 4.02Å; Q197-Y468 HydrophobicContact CG-CD1 3.98Å; Q197-Y468 HydrophobicContact CG-CD2 3.55Å; Q197-Y468 HydrophobicContact CG-CE1 4.25Å; Q197-Y468 HydrophobicContact CG-CE2 3.83Å; Q197-Y468 HydrophobicContact CG-CG 3.62Å; L207-Y468 HydrophobicContact CD2-CD1 3.89Å; L207-Y468 HydrophobicContact CD2-CE1 4.17Å; L207-Y468 HydrophobicContact CG-CD1 4.25Å; L207-Y468 HydrophobicContact CG-CE1 4.33Å; Y209-Y468 WeakPolarHBondContact CA-O 3.25Å; S210-Y468 PolarHBondContact N-O 2.71Å; S210-Y468 PolarHBondContact O-N 3.06Å; S210-Y468 WeakPolarHBondContact OG-CB 3.48Å; Y468-A470 HydrophobicContact CE1-CB 3.81Å
469S75.8Confident61.8Low36 Ų3681.4 Ų81.425%0.25249%0.487SS..EExtended strand (participates in β ladder)trans-138.5118.9168.1176.20000108.2Y209 S471Y209-S469 WeakPolarHBondContact CE1-OG 3.36Å; S469-S471 PolarHBondContact O-N 2.77Å
470A71.7Confident62.6Low19 Ų1974.2 Ų74.216%0.15747%0.471CS..  trans-64122.517800000109.2K208 Y468 G472K208-A470 HydrophobicContact CD-CB 4.32Å; K208-A470 PolarHBondContact NZ-O 3.43Å; K208-A470 WeakPolarHBondContact O-CB 3.45Å; K208-A470 PolarHBondContact O-N 2.89Å; Y468-A470 HydrophobicContact CE1-CB 3.81Å; A470-G472 PolarHBondContact O-N 3.38Å; A470-G472 VanDerWaalsContact O-N 3.09Å
471S57.3Low62.6Low108 Ų10873.7 Ų73.776%0.75548%0.483SS*.  trans-58.7115.6177.7-510000108.2S469 T473S469-S471 PolarHBondContact O-N 2.77Å; S471-T473 PolarHBondContact O-N 2.96Å
472G40.7Very low62.2Low64 Ų6476.9 Ų76.966%0.6650%0.504SS*.  trans-60.4126-173.900000111.6A470A470-G472 PolarHBondContact O-N 3.38Å; A470-G472 VanDerWaalsContact O-N 3.09Å
473T29.2Very low61.3Low118 Ų11873.3 Ų73.372%0.72450%0.5SS*.  trans-71.2119.814743.60000106.7S471S471-T473 PolarHBondContact O-N 2.96Å
474A29.3Very low60.6Low172 Ų17279.5 Ų79.5100%1.42154%0.543SS*.  trans-55.50161.800000110.4

Retrieved 474 of 474 residues in 1101.2 ms (Link to these results)

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