A0A087XWU9_POEFO Loading...

non-specific serine/threonine protein kinase

AlphaFold DB (A0A3B3U1E8), UniProt , Accession A0A087XWU9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 473 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
1M34.7Very low78.3Confident242 Ų24297.3 Ų97.3100%1.19251%0.512SS*.  0100.30-71170.8-179.100106.7
2T48Very low79.5Confident127 Ų12789.3 Ų89.378%0.77947%0.47SS*.  trans-78.4123.5174.524.20000108.2V4T2-V4 PolarHBondContact O-N 2.83Å
3N60.6Low80.5Confident145 Ų14586.4 Ų86.478%0.77545%0.452SS*.  trans-66.8114174.7-76.1-17.2000108.8
4V76.9Confident81.1Confident71 Ų7181 Ų8143%0.4342%0.423SS..  trans-77.2121.7174.6-179.30000108.5T2 K30 D32T2-V4 PolarHBondContact O-N 2.83Å; V4-K30 HydrophobicContact CG1-CB 3.85Å; V4-K30 HydrophobicContact CG1-CD 3.93Å; V4-K30 HydrophobicContact CG1-CG 4.33Å; V4-D32 HydrophobicContact CG1-CB 4.11Å; V4-D32 WeakPolarHBondContact CG1-OD2 3.36Å; V4-D32 HydrophobicContact CG2-CB 4.05Å
5V87.3Confident81.3Confident84 Ų8479.9 Ų79.951%0.50941%0.411SS..  trans-120.2153-178.7-65.10000111.2V7 K30 S31V5-V7 PolarHBondContact O-N 3.2Å; V5-K30 CarbonylContact O-C 3.54Å; V5-K30 WeakPolarHBondContact O-CA 3.26Å; V5-S31 PolarHBondContact N-OG 3.23Å; V5-S31 PolarHBondContact O-N 3.22Å
6I88.9Confident80.5Confident64 Ų6475.6 Ų75.633%0.32839%0.392SS..EExtended strand (participates in β ladder)trans-75.7123.1173.9-60.2171.9000108.5E9 L28 V45I6-E9 HydrophobicContact CG2-CB 4.18Å; I6-E9 HydrophobicContact CG2-CG 4.49Å; I6-L28 HydrophobicContact CD1-CD1 4.4Å; I6-L28 HydrophobicContact CD1-CD2 4.42Å; I6-V45 HydrophobicContact CD1-CG2 4.1Å
7V91.6Very high79.3Confident68 Ų6874.4 Ų74.441%0.41238%0.384SS..EExtended strand (participates in β ladder)trans-90.9-39.4179.71780000111.2V5 L29 V106V5-V7 PolarHBondContact O-N 3.2Å; V7-L29 HydrophobicContact CB-CD2 4.39Å; V7-L29 HydrophobicContact CB-CG 4.33Å; V7-L29 HydrophobicContact CG1-CD2 4.33Å; V7-L29 PolarHBondContact N-O 2.6Å; V7-V106 HydrophobicContact CB-CG2 4.18Å; V7-V106 HydrophobicContact CG1-CG2 3.87Å; V7-V106 HydrophobicContact CG2-CG2 3.95Å
8K93.1Very high77.9Confident44 Ų4475.6 Ų75.619%0.19138%0.384CS..EExtended strand (participates in β ladder)trans-152.6144.3173.6-168.7171.9176.6740110L29 E98 W99 A102K8-L29 HydrophobicContact CB-CB 4.4Å; K8-L29 PolarHBondContact N-O 2.8Å; K8-L29 PolarHBondContact O-N 3.33Å; K8-E98 IonicContact NZ-OE2 3.4Å; K8-E98 PolarHBondContact NZ-OE2 2.62Å; K8-W99 HydrophobicContact CB-CE3 4.49Å; K8-W99 HydrophobicContact CB-CH2 4.39Å; K8-W99 HydrophobicContact CB-CZ3 4.02Å; K8-W99 HydrophobicContact CD-CD2 3.74Å; K8-W99 HydrophobicContact CD-CE3 3.67Å; K8-W99 HydrophobicContact CD-CG 4.26Å; K8-W99 HydrophobicContact CD-CH2 4.35Å; K8-W99 HydrophobicContact CD-CZ2 4.41Å; K8-W99 HydrophobicContact CD-CZ3 3.96Å; K8-W99 HydrophobicContact CG-CD2 4.39Å; K8-W99 HydrophobicContact CG-CE3 4.11Å; K8-W99 HydrophobicContact CG-CH2 3.95Å; K8-W99 HydrophobicContact CG-CZ2 4.23Å; K8-W99 HydrophobicContact CG-CZ3 3.85Å; K8-A102 HydrophobicContact CB-CB 4.25Å; K8-A102 HydrophobicContact CD-CB 3.9Å
9E93.9Very high76.9Confident80 Ų8073.1 Ų73.137%0.37437%0.371SS..EExtended strand (participates in β ladder)trans-136.5155.217260.1170.4-172.200111.8I6 Y26 F27 L28 R41I6-E9 HydrophobicContact CG2-CB 4.18Å; I6-E9 HydrophobicContact CG2-CG 4.49Å; E9-Y26 HydrophobicContact CB-CE1 4Å; E9-Y26 HydrophobicContact CG-CE1 4.47Å; E9-Y26 WeakPolarHBondContact CG-OH 3.15Å; E9-Y26 PolarHBondContact OE1-OH 2.9Å; E9-Y26 PolarHBondContact OE2-OH 3.18Å; E9-F27 CarbonylContact C-O 3.54Å; E9-F27 WeakPolarHBondContact CA-O 3.43Å; E9-L28 HydrophobicContact CB-CD2 3.48Å; E9-L28 VanDerWaalsContact CB-CD2 3.48Å; E9-L28 WeakPolarHBondContact OE2-CD2 3.28Å; E9-R41 IonicContact OE1-NH2 2.66Å; E9-R41 PolarHBondContact OE1-NH2 2.98Å
10G93.1Very high76.6Confident14 Ų1477.1 Ų77.114%0.14439%0.386CS..EExtended strand (participates in β ladder)trans156.9175.3175.500000114.4F27G10-F27 PolarHBondContact N-O 2.78Å; G10-F27 PolarHBondContact O-N 3Å
11W93.1Very high76.6Confident131 Ų13176.4 Ų76.450%0.49639%0.386SS..EExtended strand (participates in β ladder)trans-75.7134.9178.9-7298.8000111.9P24 R25 Y26 K39W11-P24 HydrophobicContact CE3-CB 4.04Å; W11-P24 HydrophobicContact CZ3-CB 4.12Å; W11-R25 WeakPolarHBondContact CA-O 3.45Å; W11-Y26 AromaticContact CD1-CD2 3.79Å; W11-Y26 AromaticContact CD2-CD2 3.97Å; W11-Y26 HydrophobicContact CD2-CD2 3.97Å; W11-Y26 AromaticContact CE2-CD2 3.73Å; W11-Y26 HydrophobicContact CG-CD2 4.02Å; W11-Y26 HydrophobicContact CZ2-CD2 4.29Å; W11-Y26 AromaticContact NE1-CD2 3.6Å; W11-K39 WeakPolarHBondContact CH2-O 3.47Å
12L93.4Very high78.9Confident1 Ų168.1 Ų68.11%0.00534%0.341CS..EExtended strand (participates in β ladder)trans-130.6148.3168.7-64.3175.7000109.6K14 R25 F27 F35 F73 F88 V90 W99L12-K14 PolarHBondContact O-N 3.42Å; L12-R25 PolarHBondContact N-O 3.07Å; L12-R25 PolarHBondContact O-N 3.32Å; L12-F27 HydrophobicContact CB-CD2 3.72Å; L12-F27 HydrophobicContact CB-CE2 4.1Å; L12-F27 HydrophobicContact CD1-CB 3.94Å; L12-F27 HydrophobicContact CD1-CD2 3.78Å; L12-F27 HydrophobicContact CD1-CE2 4.41Å; L12-F27 HydrophobicContact CD1-CG 3.85Å; L12-F27 HydrophobicContact CG-CB 4.42Å; L12-F27 HydrophobicContact CG-CD2 4.07Å; L12-F27 HydrophobicContact CG-CG 4.48Å; L12-F35 HydrophobicContact CD1-CE1 4.45Å; L12-F35 HydrophobicContact CD1-CZ 3.63Å; L12-F73 HydrophobicContact CD1-CZ 4.05Å; L12-F73 HydrophobicContact CD2-CE1 4.14Å; L12-F73 HydrophobicContact CD2-CZ 4.02Å; L12-F88 HydrophobicContact CB-CD1 4.37Å; L12-F88 HydrophobicContact CD1-CD1 4.08Å; L12-V90 HydrophobicContact CD2-CG1 3.24Å; L12-W99 HydrophobicContact CD1-CD2 4.27Å; L12-W99 HydrophobicContact CD1-CE3 4.44Å; L12-W99 HydrophobicContact CD1-CZ2 4.34Å; L12-W99 HydrophobicContact CD2-CD2 4.11Å; L12-W99 HydrophobicContact CD2-CG 4.08Å; L12-W99 HydrophobicContact CD2-CZ2 4.32Å; L12-W99 HydrophobicContact CG-CZ2 4.17Å
13H91.7Very high80.5Confident52 Ų5264.1 Ų64.124%0.24131%0.312CS..EExtended strand (participates in β ladder)trans-87.1106165-68.690.7000108.8W22 R23 F88 H89 E91H13-W22 HydrophobicContact CB-CE3 4.06Å; H13-W22 WeakPolarHBondContact O-CZ3 3.03Å; H13-R23 CarbonylContact C-O 3.56Å; H13-R23 WeakPolarHBondContact CA-O 3.46Å; H13-F88 CarbonylContact O-C 3.45Å; H13-F88 WeakPolarHBondContact O-CA 2.98Å; H13-H89 HydrophobicContact CB-CB 4.12Å; H13-H89 WeakPolarHBondContact CB-O 3.43Å; H13-H89 AromaticContact CG-CD2 3.98Å; H13-H89 PolarHBondContact N-O 3.2Å; H13-H89 AromaticContact ND1-CD2 3.82Å; H13-H89 PolarHBondContact O-N 2.89Å; H13-E91 IonicContact CE1-OE1 2.67Å; H13-E91 PolarHBondContact CE1-OE1 3.06Å; H13-E91 IonicContact ND1-OE1 3.48Å
14K88.9Confident81.9Confident11 Ų1160.3 Ų60.35%0.04830%0.295CS..EExtended strand (participates in β ladder)trans-83132.1171.8-170.9-161173.9-1640108.5L12 E17 R23 R25 F27 N53 F88L12-K14 PolarHBondContact O-N 3.42Å; K14-E17 IonicContact NZ-OE1 3.45Å; K14-E17 PolarHBondContact NZ-OE1 3.44Å; K14-R23 PolarHBondContact N-O 2.83Å; K14-R23 PolarHBondContact O-N 3.5Å; K14-R25 HydrophobicContact CB-CG 4.43Å; K14-F27 HydrophobicContact CB-CE2 4.26Å; K14-F27 HydrophobicContact CB-CZ 4.35Å; K14-F27 HydrophobicContact CD-CZ 4.47Å; K14-N53 WeakPolarHBondContact CD-OD1 3.28Å; K14-N53 VanDerWaalsContact CE-OD1 3.22Å; K14-N53 WeakPolarHBondContact CE-OD1 3.38Å; K14-N53 PolarHBondContact NZ-OD1 3.23Å; K14-F88 HydrophobicContact CB-CD1 4.3Å; K14-F88 HydrophobicContact CB-CE1 4.2Å; K14-F88 HydrophobicContact CG-CD1 4.33Å; K14-F88 HydrophobicContact CG-CE1 3.89Å
15R84.1Confident82.4Confident65 Ų6558.1 Ų58.125%0.24528%0.279CS..EExtended strand (participates in β ladder)trans-75.6127.1166.2-163.1179.9-175.8-171.93.5109T21 W22 T87R15-T21 WeakPolarHBondContact CA-O 3.39Å; R15-W22 HydrophobicContact CB-CD2 4.29Å; R15-W22 HydrophobicContact CB-CE3 3.87Å; R15-W22 HydrophobicContact CB-CH2 4.22Å; R15-W22 HydrophobicContact CB-CZ3 3.81Å; R15-W22 HydrophobicContact CG-CD2 4.45Å; R15-T87 HydrophobicContact CB-CG2 4.43Å; R15-T87 PolarHBondContact N-O 3.35Å
16G68.5Low82.5Confident10 Ų1054.8 Ų54.810%0.10326%0.258CS..PPolyproline II helixtrans-57.7142.2171.800000110.5I19 T21G16-I19 CarbonylContact C-O 3.58Å; G16-I19 VanDerWaalsContact CA-O 3.31Å; G16-I19 WeakPolarHBondContact CA-O 3.41Å; G16-T21 PolarHBondContact N-O 3.29Å
17E60.7Low82.5Confident56 Ų5651.8 Ų51.826%0.26224%0.242SC..SBendtrans-75.4-35.1-171.4-69.9168-148.700110.9K14 R86 D316K14-E17 IonicContact NZ-OE1 3.45Å; K14-E17 PolarHBondContact NZ-OE1 3.44Å; E17-R86 WeakPolarHBondContact OE1-CD 3.38Å; E17-R86 IonicContact OE1-CZ 3.91Å; E17-R86 IonicContact OE1-NE 2.68Å; E17-R86 PolarHBondContact OE1-NE 3.05Å; E17-R86 VanDerWaalsContact OE1-NE 3.15Å; E17-R86 IonicContact OE1-NH1 2.76Å; E17-R86 PolarHBondContact OE1-NH1 3.03Å; E17-R86 VanDerWaalsContact OE1-NH1 3.16Å; E17-R86 IonicContact OE1-NH2 3.14Å; E17-R86 PolarHBondContact OE1-NH2 3.48Å; E17-R86 IonicContact OE2-CZ 2.77Å; E17-R86 IonicContact OE2-NH1 2.7Å; E17-R86 PolarHBondContact OE2-NH1 3.03Å; E17-R86 IonicContact OE2-NH2 3.81Å; E17-R86 PolarHBondContact OE2-NH2 3.41Å; E17-D316 PolarHBondContact N-OD2 3.15Å
18Y53.9Low82.4Confident96 Ų9648.7 Ų48.738%0.37622%0.223SC..SBendtrans-111.3-43.3-174.1-50.6-81.4000111.9F302 D316Y18-F302 HydrophobicContact CD1-CB 3.67Å; Y18-F302 AromaticContact CD1-CD1 3.5Å; Y18-F302 HydrophobicContact CD1-CD1 3.5Å; Y18-F302 HydrophobicContact CD1-CD2 4.37Å; Y18-F302 HydrophobicContact CD1-CE1 4.19Å; Y18-F302 AromaticContact CD1-CG 3.63Å; Y18-F302 HydrophobicContact CD1-CG 3.63Å; Y18-F302 HydrophobicContact CD2-CB 3.2Å; Y18-F302 HydrophobicContact CD2-CD1 4.28Å; Y18-F302 AromaticContact CD2-CD2 3.74Å; Y18-F302 HydrophobicContact CD2-CD2 3.74Å; Y18-F302 AromaticContact CD2-CG 3.53Å; Y18-F302 HydrophobicContact CD2-CG 3.53Å; Y18-F302 HydrophobicContact CE1-CB 3.57Å; Y18-F302 HydrophobicContact CE1-CD1 4.01Å; Y18-F302 HydrophobicContact CE1-CG 4.04Å; Y18-F302 HydrophobicContact CE2-CB 3.1Å; Y18-F302 AromaticContact CE2-CG 3.97Å; Y18-F302 HydrophobicContact CE2-CG 3.97Å; Y18-F302 HydrophobicContact CG-CB 3.48Å; Y18-F302 VanDerWaalsContact CG-CB 3.48Å; Y18-F302 AromaticContact CG-CD1 3.63Å; Y18-F302 HydrophobicContact CG-CD1 3.63Å; Y18-F302 AromaticContact CG-CD2 3.64Å; Y18-F302 HydrophobicContact CG-CD2 3.64Å; Y18-F302 HydrophobicContact CG-CE1 4.22Å; Y18-F302 HydrophobicContact CG-CE2 4.21Å; Y18-F302 AromaticContact CG-CG 3.33Å; Y18-F302 HydrophobicContact CG-CG 3.33Å; Y18-F302 HydrophobicContact CG-CZ 4.48Å; Y18-D316 WeakPolarHBondContact CD2-OD1 3.41Å; Y18-D316 VanDerWaalsContact CE2-OD1 3.26Å; Y18-D316 WeakPolarHBondContact CE2-OD1 3.13Å
19I58.5Low82.4Confident28 Ų2846.6 Ų46.614%0.14421%0.214CC..SBendtrans-94.8109.5166.5-54.5-177000107.4G16 T21 L314 F351 L355G16-I19 CarbonylContact C-O 3.58Å; G16-I19 VanDerWaalsContact CA-O 3.31Å; G16-I19 WeakPolarHBondContact CA-O 3.41Å; I19-T21 HydrophobicContact CG2-CG2 3.77Å; I19-T21 PolarHBondContact O-N 3.05Å; I19-T21 PolarHBondContact O-OG1 3.33Å; I19-L314 HydrophobicContact CD1-CB 4.1Å; I19-L314 WeakPolarHBondContact CD1-O 3.41Å; I19-F351 HydrophobicContact CD1-CB 4.06Å; I19-F351 HydrophobicContact CD1-CD2 3.92Å; I19-F351 HydrophobicContact CD1-CG 4.15Å; I19-F351 HydrophobicContact CG1-CD2 3.91Å; I19-F351 HydrophobicContact CG1-CE2 4.31Å; I19-L355 HydrophobicContact CD1-CD1 4.35Å
20K71.7Confident82.1Confident153 Ų15344.7 Ų44.767%0.66521%0.205SC*.  trans-69.738.8-173.9-69.9176176.91730114.5
21T76.1Confident81.8Confident63 Ų6346 Ų4639%0.38721%0.212SC..  trans-94.1151.3175.454.30000110.9R15 G16 I19 R23R15-T21 WeakPolarHBondContact CA-O 3.39Å; G16-T21 PolarHBondContact N-O 3.29Å; I19-T21 HydrophobicContact CG2-CG2 3.77Å; I19-T21 PolarHBondContact O-N 3.05Å; I19-T21 PolarHBondContact O-OG1 3.33Å; T21-R23 PolarHBondContact OG1-NE 3.27Å
22W82.1Confident81.2Confident67 Ų6743 Ų4325%0.25421%0.205SC..EExtended strand (participates in β ladder)trans-92.2130.2175.1-65.497.6000109.8H13 R15 P68 K69 T72 T87 H89H13-W22 HydrophobicContact CB-CE3 4.06Å; H13-W22 WeakPolarHBondContact O-CZ3 3.03Å; R15-W22 HydrophobicContact CB-CD2 4.29Å; R15-W22 HydrophobicContact CB-CE3 3.87Å; R15-W22 HydrophobicContact CB-CH2 4.22Å; R15-W22 HydrophobicContact CB-CZ3 3.81Å; R15-W22 HydrophobicContact CG-CD2 4.45Å; W22-P68 HydrophobicContact CZ2-CG 3.98Å; W22-K69 HydrophobicContact CZ2-CB 3.91Å; W22-T72 HydrophobicContact CH2-CG2 4.15Å; W22-T87 HydrophobicContact CH2-CG2 3.82Å; W22-T87 HydrophobicContact CZ3-CG2 4.32Å; W22-H89 HydrophobicContact CD2-CB 4.49Å; W22-H89 HydrophobicContact CE3-CB 3.78Å; W22-H89 HydrophobicContact CH2-CB 3.58Å; W22-H89 HydrophobicContact CZ2-CB 4.33Å; W22-H89 HydrophobicContact CZ3-CB 3.29Å
23R83.3Confident80.7Confident43 Ų4342.9 Ų42.916%0.16221%0.205CC..EExtended strand (participates in β ladder)trans-128.5128.6-177.4-60180179.3-149.1-8.8110H13 K14 T21 E315H13-R23 CarbonylContact C-O 3.56Å; H13-R23 WeakPolarHBondContact CA-O 3.46Å; K14-R23 PolarHBondContact N-O 2.83Å; K14-R23 PolarHBondContact O-N 3.5Å; T21-R23 PolarHBondContact OG1-NE 3.27Å; R23-E315 VanDerWaalsContact NH1-CB 3.29Å; R23-E315 PolarHBondContact NH1-O 3.3Å
24P89.5Confident80.3Confident65 Ų6541.9 Ų41.942%0.42220%0.202SC..EExtended strand (participates in β ladder)trans-68.3134.5174.729.3-33.8000109.5W11W11-P24 HydrophobicContact CE3-CB 4.04Å; W11-P24 HydrophobicContact CZ3-CB 4.12Å
25R87.7Confident80Confident25 Ų2541.3 Ų41.39%0.09420%0.2CC..EExtended strand (participates in β ladder)trans-142.7142.1177-66.5-65.6-178.9-95.26.6109.1W11 L12 K14 F27 Y38W11-R25 WeakPolarHBondContact CA-O 3.45Å; L12-R25 PolarHBondContact N-O 3.07Å; L12-R25 PolarHBondContact O-N 3.32Å; K14-R25 HydrophobicContact CB-CG 4.43Å; R25-F27 HydrophobicContact CB-CD2 3.93Å; R25-F27 HydrophobicContact CB-CE2 3.5Å; R25-F27 VanDerWaalsContact CB-CE2 3.5Å; R25-F27 HydrophobicContact CB-CZ 4.36Å; R25-F27 HydrophobicContact CG-CE2 4.37Å; R25-Y38 CarbonylContact C-O 3.3Å; R25-Y38 WeakPolarHBondContact CA-O 3.39Å; R25-Y38 WeakPolarHBondContact CB-O 3.38Å; R25-Y38 VanDerWaalsContact CD-O 3.24Å; R25-Y38 WeakPolarHBondContact CD-O 3.25Å
26Y88.4Confident79.9Confident15 Ų1538.7 Ų38.76%0.05919%0.191CC..EExtended strand (participates in β ladder)trans-87.2114.7175.4-164.3-92.8000109.3E9 W11 L28 G37 Y38 R41E9-Y26 HydrophobicContact CB-CE1 4Å; E9-Y26 HydrophobicContact CG-CE1 4.47Å; E9-Y26 WeakPolarHBondContact CG-OH 3.15Å; E9-Y26 PolarHBondContact OE1-OH 2.9Å; E9-Y26 PolarHBondContact OE2-OH 3.18Å; W11-Y26 AromaticContact CD1-CD2 3.79Å; W11-Y26 AromaticContact CD2-CD2 3.97Å; W11-Y26 HydrophobicContact CD2-CD2 3.97Å; W11-Y26 AromaticContact CE2-CD2 3.73Å; W11-Y26 HydrophobicContact CG-CD2 4.02Å; W11-Y26 HydrophobicContact CZ2-CD2 4.29Å; W11-Y26 AromaticContact NE1-CD2 3.6Å; Y26-L28 HydrophobicContact CD1-CD2 4.06Å; Y26-L28 HydrophobicContact CE1-CD2 3.71Å; Y26-G37 CarbonylContact O-C 3.59Å; Y26-G37 WeakPolarHBondContact O-CA 3.27Å; Y26-Y38 PolarHBondContact N-O 3.14Å; Y26-Y38 PolarHBondContact O-N 3.07Å; Y26-R41 HydrophobicContact CD1-CB 4.25Å; Y26-R41 HydrophobicContact CD1-CG 4Å; Y26-R41 HydrophobicContact CD2-CB 4.07Å; Y26-R41 HydrophobicContact CD2-CG 4.27Å; Y26-R41 HydrophobicContact CE1-CB 4.42Å; Y26-R41 HydrophobicContact CE1-CG 3.72Å; Y26-R41 HydrophobicContact CE2-CB 4.25Å; Y26-R41 HydrophobicContact CE2-CG 4.02Å; Y26-R41 HydrophobicContact CG-CB 4.06Å; Y26-R41 HydrophobicContact CG-CG 4.26Å; Y26-R41 PolarHBondContact OH-NE 2.67Å; Y26-R41 VanDerWaalsContact OH-NE 3.13Å
27F90Very high80.6Confident0 Ų038.2 Ų38.20%019%0.186CC..EExtended strand (participates in β ladder)trans-101.7143.4-176.4-83.9-95.7000113E9 G10 L12 K14 R25 F35 I36 N53 F55 F88 W99E9-F27 CarbonylContact C-O 3.54Å; E9-F27 WeakPolarHBondContact CA-O 3.43Å; G10-F27 PolarHBondContact N-O 2.78Å; G10-F27 PolarHBondContact O-N 3Å; L12-F27 HydrophobicContact CB-CD2 3.72Å; L12-F27 HydrophobicContact CB-CE2 4.1Å; L12-F27 HydrophobicContact CD1-CB 3.94Å; L12-F27 HydrophobicContact CD1-CD2 3.78Å; L12-F27 HydrophobicContact CD1-CE2 4.41Å; L12-F27 HydrophobicContact CD1-CG 3.85Å; L12-F27 HydrophobicContact CG-CB 4.42Å; L12-F27 HydrophobicContact CG-CD2 4.07Å; L12-F27 HydrophobicContact CG-CG 4.48Å; K14-F27 HydrophobicContact CB-CE2 4.26Å; K14-F27 HydrophobicContact CB-CZ 4.35Å; K14-F27 HydrophobicContact CD-CZ 4.47Å; R25-F27 HydrophobicContact CB-CD2 3.93Å; R25-F27 HydrophobicContact CB-CE2 3.5Å; R25-F27 VanDerWaalsContact CB-CE2 3.5Å; R25-F27 HydrophobicContact CB-CZ 4.36Å; R25-F27 HydrophobicContact CG-CE2 4.37Å; F27-F35 HydrophobicContact CB-CE2 3.72Å; F27-F35 HydrophobicContact CB-CZ 3.95Å; F27-F35 HydrophobicContact CD1-CD1 4.21Å; F27-F35 HydrophobicContact CD1-CD2 4.12Å; F27-F35 AromaticContact CD1-CE1 3.77Å; F27-F35 HydrophobicContact CD1-CE1 3.77Å; F27-F35 AromaticContact CD1-CE2 3.7Å; F27-F35 HydrophobicContact CD1-CE2 3.7Å; F27-F35 HydrophobicContact CD1-CG 4.35Å; F27-F35 AromaticContact CD1-CZ 3.51Å; F27-F35 HydrophobicContact CD1-CZ 3.51Å; F27-F35 HydrophobicContact CE1-CD1 4.44Å; F27-F35 HydrophobicContact CE1-CE1 4.08Å; F27-F35 HydrophobicContact CE1-CZ 4.25Å; F27-F35 HydrophobicContact CG-CE2 4.06Å; F27-F35 AromaticContact CG-CZ 3.88Å; F27-F35 HydrophobicContact CG-CZ 3.88Å; F27-I36 CarbonylContact C-O 3.54Å; F27-I36 WeakPolarHBondContact CA-O 3.42Å; F27-I36 VanDerWaalsContact CD1-O 3.27Å; F27-I36 WeakPolarHBondContact CD1-O 3.14Å; F27-N53 HydrophobicContact CE1-CB 3.96Å; F27-N53 HydrophobicContact CZ-CB 4.09Å; F27-F55 HydrophobicContact CE1-CE1 4.37Å; F27-F88 AromaticContact CE1-CE1 3.89Å; F27-F88 HydrophobicContact CE1-CE1 3.89Å; F27-F88 HydrophobicContact CE1-CZ 4.39Å; F27-F88 HydrophobicContact CE2-CD1 4.31Å; F27-F88 AromaticContact CE2-CE1 3.92Å; F27-F88 HydrophobicContact CE2-CE1 3.92Å; F27-F88 HydrophobicContact CZ-CD1 4.29Å; F27-F88 AromaticContact CZ-CE1 3.47Å; F27-F88 HydrophobicContact CZ-CE1 3.47Å; F27-F88 VanDerWaalsContact CZ-CE1 3.47Å; F27-F88 HydrophobicContact CZ-CZ 4.32Å; F27-W99 HydrophobicContact CB-CH2 4.16Å
28L89.3Confident81.4Confident3 Ų336.5 Ų36.52%0.01618%0.177CC..EExtended strand (participates in β ladder)trans-119.2121.9170.9-52.5-177.5000108.8I6 E9 Y26 F35 I36 Y38 P42I6-L28 HydrophobicContact CD1-CD1 4.4Å; I6-L28 HydrophobicContact CD1-CD2 4.42Å; E9-L28 HydrophobicContact CB-CD2 3.48Å; E9-L28 VanDerWaalsContact CB-CD2 3.48Å; E9-L28 WeakPolarHBondContact OE2-CD2 3.28Å; Y26-L28 HydrophobicContact CD1-CD2 4.06Å; Y26-L28 HydrophobicContact CE1-CD2 3.71Å; L28-F35 WeakPolarHBondContact O-CA 3.46Å; L28-I36 PolarHBondContact N-O 3.25Å; L28-I36 PolarHBondContact O-N 3.29Å; L28-Y38 HydrophobicContact CD1-CD2 4.42Å; L28-Y38 HydrophobicContact CD1-CE2 3.58Å; L28-Y38 HydrophobicContact CG-CD2 4.36Å; L28-Y38 HydrophobicContact CG-CE2 3.86Å; L28-P42 HydrophobicContact CD1-CG 4.22Å
29L91.6Very high82.5Confident0 Ų037.9 Ų37.90%019%0.185CC..EExtended strand (participates in β ladder)trans-98.9121.3167.3177.266.3000108.7V7 K8 F35 V57 W99 A102 I103 V106V7-L29 HydrophobicContact CB-CD2 4.39Å; V7-L29 HydrophobicContact CB-CG 4.33Å; V7-L29 HydrophobicContact CG1-CD2 4.33Å; V7-L29 PolarHBondContact N-O 2.6Å; K8-L29 HydrophobicContact CB-CB 4.4Å; K8-L29 PolarHBondContact N-O 2.8Å; K8-L29 PolarHBondContact O-N 3.33Å; L29-F35 HydrophobicContact CB-CD2 3.81Å; L29-F35 HydrophobicContact CB-CE2 4.17Å; L29-F35 HydrophobicContact CD1-CB 4.17Å; L29-F35 HydrophobicContact CD1-CD2 4Å; L29-F35 HydrophobicContact CD1-CG 4.33Å; L29-V57 HydrophobicContact CD1-CG1 4.48Å; L29-V57 HydrophobicContact CD1-CG2 4.02Å; L29-W99 HydrophobicContact CB-CZ3 4.36Å; L29-A102 HydrophobicContact CD2-CB 3.9Å; L29-I103 HydrophobicContact CD1-CG1 4.41Å; L29-I103 HydrophobicContact CD2-CG1 3.96Å; L29-V106 HydrophobicContact CD1-CG2 4.5Å; L29-V106 HydrophobicContact CD2-CG2 3.99Å; L29-V106 HydrophobicContact CG-CG2 4.22Å
30K88.3Confident83.3Confident40 Ų4042.6 Ų42.617%0.17421%0.206CC..EExtended strand (participates in β ladder)trans-104.1157.5-179.7-64.8-174.6179.2-173.30111.8V4 V5 D32 G33 T34 I36V4-K30 HydrophobicContact CG1-CB 3.85Å; V4-K30 HydrophobicContact CG1-CD 3.93Å; V4-K30 HydrophobicContact CG1-CG 4.33Å; V5-K30 CarbonylContact O-C 3.54Å; V5-K30 WeakPolarHBondContact O-CA 3.26Å; K30-D32 WeakPolarHBondContact CB-OD1 3.49Å; K30-D32 PolarHBondContact O-N 3.4Å; K30-G33 PolarHBondContact O-N 3.3Å; K30-G33 VanDerWaalsContact O-N 3.09Å; K30-T34 PolarHBondContact N-O 3.28Å; K30-I36 HydrophobicContact CD-CD1 4.31Å
31S86.4Confident83.8Confident43 Ų4342 Ų4230%0.30120%0.2SC..THydrogen-bonded Turntrans-67.7-17.1-176.862.20000114.3V5 G33V5-S31 PolarHBondContact N-OG 3.23Å; V5-S31 PolarHBondContact O-N 3.22Å; S31-G33 VanDerWaalsContact C-N 3.26Å
32D81.7Confident83.8Confident66 Ų6640 Ų4035%0.35319%0.188SC..THydrogen-bonded Turntrans-853.8174.164-3.2000113.2V4 K30 T34V4-D32 HydrophobicContact CG1-CB 4.11Å; V4-D32 WeakPolarHBondContact CG1-OD2 3.36Å; V4-D32 HydrophobicContact CG2-CB 4.05Å; K30-D32 WeakPolarHBondContact CB-OD1 3.49Å; K30-D32 PolarHBondContact O-N 3.4Å; D32-T34 VanDerWaalsContact OD1-CB 3.25Å; D32-T34 WeakPolarHBondContact OD1-CB 3.35Å; D32-T34 PolarHBondContact OD1-N 3.1Å; D32-T34 PolarHBondContact OD1-OG1 3.48Å; D32-T34 PolarHBondContact OD2-OG1 3.1Å; D32-T34 VanDerWaalsContact OD2-OG1 3.1Å
33G81.5Confident83.1Confident0 Ų045.6 Ų45.60%022%0.217CC..SBendtrans89.5-2.2-177.500000114.4K30 S31 F35 S56 V57 L110K30-G33 PolarHBondContact O-N 3.3Å; K30-G33 VanDerWaalsContact O-N 3.09Å; S31-G33 VanDerWaalsContact C-N 3.26Å; G33-F35 PolarHBondContact O-N 3.02Å; G33-S56 CarbonylContact O-C 3.6Å; G33-S56 WeakPolarHBondContact O-CA 3.19Å; G33-V57 WeakPolarHBondContact O-CG2 3.42Å; G33-V57 PolarHBondContact O-N 2.91Å; G33-L110 VanDerWaalsContact CA-CD1 3.49Å
34T83.2Confident81.9Confident30 Ų3047.7 Ų47.718%0.18423%0.231CC..EExtended strand (participates in β ladder)trans-71124.9178.1-43.20000110.1K30 D32 I36 N54K30-T34 PolarHBondContact N-O 3.28Å; D32-T34 VanDerWaalsContact OD1-CB 3.25Å; D32-T34 WeakPolarHBondContact OD1-CB 3.35Å; D32-T34 PolarHBondContact OD1-N 3.1Å; D32-T34 PolarHBondContact OD1-OG1 3.48Å; D32-T34 PolarHBondContact OD2-OG1 3.1Å; D32-T34 VanDerWaalsContact OD2-OG1 3.1Å; T34-I36 HydrophobicContact CG2-CD1 3.42Å; T34-I36 VanDerWaalsContact CG2-CD1 3.42Å; T34-I36 HydrophobicContact CG2-CG1 3.4Å; T34-N54 WeakPolarHBondContact CG2-OD1 3.32Å
35F84.1Confident80.1Confident0 Ų048.7 Ų48.70%024%0.236CC..EExtended strand (participates in β ladder)trans-119.8110.9175.4-170.4-135.7000110.3L12 F27 L28 L29 G33 F55 V57 I75 F88 W99 I103L12-F35 HydrophobicContact CD1-CE1 4.45Å; L12-F35 HydrophobicContact CD1-CZ 3.63Å; F27-F35 HydrophobicContact CB-CE2 3.72Å; F27-F35 HydrophobicContact CB-CZ 3.95Å; F27-F35 HydrophobicContact CD1-CD1 4.21Å; F27-F35 HydrophobicContact CD1-CD2 4.12Å; F27-F35 AromaticContact CD1-CE1 3.77Å; F27-F35 HydrophobicContact CD1-CE1 3.77Å; F27-F35 AromaticContact CD1-CE2 3.7Å; F27-F35 HydrophobicContact CD1-CE2 3.7Å; F27-F35 HydrophobicContact CD1-CG 4.35Å; F27-F35 AromaticContact CD1-CZ 3.51Å; F27-F35 HydrophobicContact CD1-CZ 3.51Å; F27-F35 HydrophobicContact CE1-CD1 4.44Å; F27-F35 HydrophobicContact CE1-CE1 4.08Å; F27-F35 HydrophobicContact CE1-CZ 4.25Å; F27-F35 HydrophobicContact CG-CE2 4.06Å; F27-F35 AromaticContact CG-CZ 3.88Å; F27-F35 HydrophobicContact CG-CZ 3.88Å; L28-F35 WeakPolarHBondContact O-CA 3.46Å; L29-F35 HydrophobicContact CB-CD2 3.81Å; L29-F35 HydrophobicContact CB-CE2 4.17Å; L29-F35 HydrophobicContact CD1-CB 4.17Å; L29-F35 HydrophobicContact CD1-CD2 4Å; L29-F35 HydrophobicContact CD1-CG 4.33Å; G33-F35 PolarHBondContact O-N 3.02Å; F35-F55 HydrophobicContact CB-CE2 4.24Å; F35-F55 HydrophobicContact CB-CZ 4.42Å; F35-F55 HydrophobicContact CD1-CE1 4.19Å; F35-F55 AromaticContact CD1-CE2 3.56Å; F35-F55 HydrophobicContact CD1-CE2 3.56Å; F35-F55 AromaticContact CD1-CZ 3.29Å; F35-F55 HydrophobicContact CD1-CZ 3.29Å; F35-F55 HydrophobicContact CE1-CE2 4.44Å; F35-F55 AromaticContact CE1-CZ 3.9Å; F35-F55 HydrophobicContact CE1-CZ 3.9Å; F35-F55 HydrophobicContact CG-CE2 4.39Å; F35-F55 HydrophobicContact CG-CZ 4.24Å; F35-F55 PolarHBondContact N-O 2.97Å; F35-F55 PolarHBondContact O-N 3.12Å; F35-V57 HydrophobicContact CB-CG1 3.67Å; F35-V57 HydrophobicContact CD1-CG1 4.26Å; F35-V57 HydrophobicContact CG-CG1 4.2Å; F35-I75 HydrophobicContact CD1-CD1 3.69Å; F35-I75 HydrophobicContact CE1-CD1 3.57Å; F35-F88 HydrophobicContact CE1-CE1 4.33Å; F35-F88 HydrophobicContact CE1-CE2 4.29Å; F35-F88 HydrophobicContact CE1-CZ 4.01Å; F35-W99 HydrophobicContact CE2-CE3 4.21Å; F35-W99 HydrophobicContact CE2-CH2 4.32Å; F35-W99 AromaticContact CE2-CZ3 3.62Å; F35-W99 HydrophobicContact CE2-CZ3 3.62Å; F35-W99 HydrophobicContact CZ-CE3 4.35Å; F35-W99 HydrophobicContact CZ-CZ3 4.13Å; F35-I103 HydrophobicContact CE1-CD1 4.39Å; F35-I103 HydrophobicContact CZ-CD1 4.36Å
36I82.4Confident78.3Confident9 Ų955.1 Ų55.15%0.04627%0.272CS..EExtended strand (participates in β ladder)trans-122.8135.9-162-54.1176.9000110.2F27 L28 K30 T34 Y38 P51 N53F27-I36 CarbonylContact C-O 3.54Å; F27-I36 WeakPolarHBondContact CA-O 3.42Å; F27-I36 VanDerWaalsContact CD1-O 3.27Å; F27-I36 WeakPolarHBondContact CD1-O 3.14Å; L28-I36 PolarHBondContact N-O 3.25Å; L28-I36 PolarHBondContact O-N 3.29Å; K30-I36 HydrophobicContact CD-CD1 4.31Å; T34-I36 HydrophobicContact CG2-CD1 3.42Å; T34-I36 VanDerWaalsContact CG2-CD1 3.42Å; T34-I36 HydrophobicContact CG2-CG1 3.4Å; I36-Y38 HydrophobicContact CB-CE2 4.14Å; I36-Y38 HydrophobicContact CG2-CD2 4.29Å; I36-Y38 HydrophobicContact CG2-CE1 4.41Å; I36-Y38 HydrophobicContact CG2-CE2 3.49Å; I36-Y38 VanDerWaalsContact CG2-CE2 3.49Å; I36-P51 HydrophobicContact CG2-CB 3.15Å; I36-P51 HydrophobicContact CG2-CG 4.24Å; I36-N53 CarbonylContact C-O 3.5Å; I36-N53 WeakPolarHBondContact CA-O 3.4Å; I36-N53 WeakPolarHBondContact CG2-O 3.46Å
37G82Confident76.2Confident0 Ų060.5 Ų60.50%030%0.298CS..EExtended strand (participates in β ladder)trans-127131.3179.400000113.4Y26 L52 N53Y26-G37 CarbonylContact O-C 3.59Å; Y26-G37 WeakPolarHBondContact O-CA 3.27Å; G37-L52 CarbonylContact O-C 3.53Å; G37-L52 WeakPolarHBondContact O-CA 3.39Å; G37-L52 WeakPolarHBondContact O-CB 3.4Å; G37-L52 PolarHBondContact O-N 3.21Å; G37-L52 VanDerWaalsContact O-N 3.08Å; G37-N53 PolarHBondContact N-O 2.92Å; G37-N53 PolarHBondContact O-N 3.43Å; G37-N53 PolarHBondContact O-ND2 3.25Å
38Y78.6Confident74.1Confident21 Ų2169.1 Ų69.18%0.08234%0.343CS..EExtended strand (participates in β ladder)trans-112.8160.1-177.3-59.3-93.3000111.5R25 Y26 L28 I36 E40 P42 E49 P51R25-Y38 CarbonylContact C-O 3.3Å; R25-Y38 WeakPolarHBondContact CA-O 3.39Å; R25-Y38 WeakPolarHBondContact CB-O 3.38Å; R25-Y38 VanDerWaalsContact CD-O 3.24Å; R25-Y38 WeakPolarHBondContact CD-O 3.25Å; Y26-Y38 PolarHBondContact N-O 3.14Å; Y26-Y38 PolarHBondContact O-N 3.07Å; L28-Y38 HydrophobicContact CD1-CD2 4.42Å; L28-Y38 HydrophobicContact CD1-CE2 3.58Å; L28-Y38 HydrophobicContact CG-CD2 4.36Å; L28-Y38 HydrophobicContact CG-CE2 3.86Å; I36-Y38 HydrophobicContact CB-CE2 4.14Å; I36-Y38 HydrophobicContact CG2-CD2 4.29Å; I36-Y38 HydrophobicContact CG2-CE1 4.41Å; I36-Y38 HydrophobicContact CG2-CE2 3.49Å; I36-Y38 VanDerWaalsContact CG2-CE2 3.49Å; Y38-E40 WeakPolarHBondContact CB-O 3.39Å; Y38-P42 HydrophobicContact CD2-CG 4.09Å; Y38-P42 HydrophobicContact CE2-CG 4.14Å; Y38-P42 HydrophobicContact CG-CG 4.34Å; Y38-E49 HydrophobicContact CD1-CB 4.18Å; Y38-E49 HydrophobicContact CE1-CB 4.31Å; Y38-P51 HydrophobicContact CD1-CB 4.41Å; Y38-P51 HydrophobicContact CE1-CB 3.73Å
39K76.9Confident72.1Confident125 Ų12572.6 Ų72.654%0.54336%0.359SS..SBendtrans-70.1-40.6174.3-167.8174.7177.2178.80111.3W11 L52W11-K39 WeakPolarHBondContact CH2-O 3.47Å; K39-L52 HydrophobicContact CB-CD1 3.76Å
40E75.8Confident70Confident126 Ų12676.1 Ų76.159%0.58938%0.381SS*.SBendtrans-124.3170.4178.6-61.9-172.3-175.300109.3Y38 P42Y38-E40 WeakPolarHBondContact CB-O 3.39Å; E40-P42 WeakPolarHBondContact O-CD 3.42Å
41R81.9Confident68.1Low142 Ų14275.8 Ų75.854%0.53638%0.383SS..  trans-74.6121.8176.4-178.9177.8-168.1-171.25.2108.5E9 Y26 Q43E9-R41 IonicContact OE1-NH2 2.66Å; E9-R41 PolarHBondContact OE1-NH2 2.98Å; Y26-R41 HydrophobicContact CD1-CB 4.25Å; Y26-R41 HydrophobicContact CD1-CG 4Å; Y26-R41 HydrophobicContact CD2-CB 4.07Å; Y26-R41 HydrophobicContact CD2-CG 4.27Å; Y26-R41 HydrophobicContact CE1-CB 4.42Å; Y26-R41 HydrophobicContact CE1-CG 3.72Å; Y26-R41 HydrophobicContact CE2-CB 4.25Å; Y26-R41 HydrophobicContact CE2-CG 4.02Å; Y26-R41 HydrophobicContact CG-CB 4.06Å; Y26-R41 HydrophobicContact CG-CG 4.26Å; Y26-R41 PolarHBondContact OH-NE 2.67Å; Y26-R41 VanDerWaalsContact OH-NE 3.13Å; R41-Q43 PolarHBondContact O-N 2.76Å
42P76.1Confident66.3Low21 Ų2174.7 Ų74.714%0.13637%0.374CS..  trans-65.1135.6-179.525.5-32.6000110.5L28 Y38 E40L28-P42 HydrophobicContact CD1-CG 4.22Å; Y38-P42 HydrophobicContact CD2-CG 4.09Å; Y38-P42 HydrophobicContact CE2-CG 4.14Å; Y38-P42 HydrophobicContact CG-CG 4.34Å; E40-P42 WeakPolarHBondContact O-CD 3.42Å
43Q65.8Low64.9Low183 Ų18372 Ų7286%0.85536%0.359SS*.SBendtrans-80.7-18.5-177.3-64.2-173.9900113.3R41R41-Q43 PolarHBondContact O-N 2.76Å
44D59.1Low64.2Low88 Ų8876 Ų7647%0.47138%0.381SS..  trans-146.6139.5175.7-112.2-29.2000110D46 Q47D44-D46 PolarHBondContact O-N 2.87Å; D44-Q47 HydrophobicContact CB-CB 3.68Å; D44-Q47 HydrophobicContact CB-CG 3.56Å; D44-Q47 PolarHBondContact O-N 3.13Å; D44-Q47 PolarHBondContact OD2-NE2 2.89Å
45V52.5Low63.8Low86 Ų8675.3 Ų75.352%0.52138%0.375SS..THydrogen-bonded Turntrans-69.4-18.9-178.1-173.70000112.3I6I6-V45 HydrophobicContact CD1-CG2 4.1Å
46D48.9Very low63.5Low160 Ų16077.7 Ų77.786%0.85639%0.392SS*.THydrogen-bonded Turntrans-113.54.1-179.4-68.7-37.6000113.8D44D44-D46 PolarHBondContact O-N 2.87Å
47Q44Very low63.5Low128 Ų12877.3 Ų77.360%0.59839%0.39SS*.SBendtrans-90.7140.2173.1-77-172.628.200111.8D44 E49D44-Q47 HydrophobicContact CB-CB 3.68Å; D44-Q47 HydrophobicContact CB-CG 3.56Å; D44-Q47 PolarHBondContact O-N 3.13Å; D44-Q47 PolarHBondContact OD2-NE2 2.89Å; Q47-E49 PolarHBondContact O-N 3.11Å
48L46.1Very low63.4Low180 Ų18078.6 Ų78.694%0.94240%0.401SS*.  trans-62.950.7-171.4-71.7139.1000115.3
49E46.4Very low63.3Low77 Ų7783.7 Ų83.736%0.3643%0.425SS..  trans-80.2116.2156.9-79.5-171.5-177.300108.5Y38 Q47 P51Y38-E49 HydrophobicContact CD1-CB 4.18Å; Y38-E49 HydrophobicContact CE1-CB 4.31Å; Q47-E49 PolarHBondContact O-N 3.11Å; E49-P51 VanDerWaalsContact O-CD 3.24Å; E49-P51 WeakPolarHBondContact O-CD 3.36Å; E49-P51 VanDerWaalsContact O-N 3.15Å
50T48.4Very low63.5Low74 Ų7478.5 Ų78.545%0.45440%0.404SS..  trans-63.4116.2179.1-3.50000109L52 T298T50-L52 PolarHBondContact O-N 3.39Å; T50-L52 VanDerWaalsContact O-N 3.09Å; T50-T298 HydrophobicContact CG2-CG2 3.99Å; T50-T298 WeakPolarHBondContact CG2-OG1 3.3Å
51P48.1Very low63.9Low33 Ų3377.4 Ų77.421%0.21440%0.399CS..  trans-68.4110.1-174.623.5-31.9000111.1I36 Y38 E49 N53 K300 D318I36-P51 HydrophobicContact CG2-CB 3.15Å; I36-P51 HydrophobicContact CG2-CG 4.24Å; Y38-P51 HydrophobicContact CD1-CB 4.41Å; Y38-P51 HydrophobicContact CE1-CB 3.73Å; E49-P51 VanDerWaalsContact O-CD 3.24Å; E49-P51 WeakPolarHBondContact O-CD 3.36Å; E49-P51 VanDerWaalsContact O-N 3.15Å; P51-N53 PolarHBondContact O-N 3.09Å; P51-N53 VanDerWaalsContact O-N 3.14Å; P51-K300 WeakPolarHBondContact O-CE 3.35Å; P51-K300 PolarHBondContact O-NZ 2.87Å; P51-D318 VanDerWaalsContact C-OD2 3.23Å
52L49.9Very low64.2Low20 Ų2072.3 Ų72.311%0.10538%0.382CS..SBendtrans-59.7-29.6-176.9-62.6-179.4000114.1G37 K39 T50 K300 N317 D318G37-L52 CarbonylContact O-C 3.53Å; G37-L52 WeakPolarHBondContact O-CA 3.39Å; G37-L52 WeakPolarHBondContact O-CB 3.4Å; G37-L52 PolarHBondContact O-N 3.21Å; G37-L52 VanDerWaalsContact O-N 3.08Å; K39-L52 HydrophobicContact CB-CD1 3.76Å; T50-L52 PolarHBondContact O-N 3.39Å; T50-L52 VanDerWaalsContact O-N 3.09Å; L52-K300 WeakPolarHBondContact O-CD 3.2Å; L52-K300 WeakPolarHBondContact O-CE 3.19Å; L52-K300 PolarHBondContact O-NZ 3.19Å; L52-N317 HydrophobicContact CD2-CB 4.13Å; L52-D318 HydrophobicContact CD2-CB 4.14Å
53N52.1Low64.9Low8 Ų874.7 Ų74.74%0.04339%0.392CS..EExtended strand (participates in β ladder)trans-125.4129.9175.4-57.3-81.5000108.1K14 F27 I36 G37 P51 F55 K300K14-N53 WeakPolarHBondContact CD-OD1 3.28Å; K14-N53 VanDerWaalsContact CE-OD1 3.22Å; K14-N53 WeakPolarHBondContact CE-OD1 3.38Å; K14-N53 PolarHBondContact NZ-OD1 3.23Å; F27-N53 HydrophobicContact CE1-CB 3.96Å; F27-N53 HydrophobicContact CZ-CB 4.09Å; I36-N53 CarbonylContact C-O 3.5Å; I36-N53 WeakPolarHBondContact CA-O 3.4Å; I36-N53 WeakPolarHBondContact CG2-O 3.46Å; G37-N53 PolarHBondContact N-O 2.92Å; G37-N53 PolarHBondContact O-N 3.43Å; G37-N53 PolarHBondContact O-ND2 3.25Å; P51-N53 PolarHBondContact O-N 3.09Å; P51-N53 VanDerWaalsContact O-N 3.14Å; N53-F55 HydrophobicContact CB-CE1 4.41Å; N53-K300 VanDerWaalsContact C-NZ 3.35Å
54N66.7Low66.2Low86 Ų8670.7 Ų70.746%0.4637%0.372SS..EExtended strand (participates in β ladder)trans-149.4111.3176.5-177.63.4000108.1T34 K300T34-N54 WeakPolarHBondContact CG2-OD1 3.32Å; N54-K300 VanDerWaalsContact N-NZ 3.18Å
55F73.3Confident67.7Low15 Ų1568.5 Ų68.57%0.06636%0.362CS..EExtended strand (participates in β ladder)trans-151.4155176.655.7-85.6000110.1F27 F35 N53 V57 I75 R86 F88F27-F55 HydrophobicContact CE1-CE1 4.37Å; F35-F55 HydrophobicContact CB-CE2 4.24Å; F35-F55 HydrophobicContact CB-CZ 4.42Å; F35-F55 HydrophobicContact CD1-CE1 4.19Å; F35-F55 AromaticContact CD1-CE2 3.56Å; F35-F55 HydrophobicContact CD1-CE2 3.56Å; F35-F55 AromaticContact CD1-CZ 3.29Å; F35-F55 HydrophobicContact CD1-CZ 3.29Å; F35-F55 HydrophobicContact CE1-CE2 4.44Å; F35-F55 AromaticContact CE1-CZ 3.9Å; F35-F55 HydrophobicContact CE1-CZ 3.9Å; F35-F55 HydrophobicContact CG-CE2 4.39Å; F35-F55 HydrophobicContact CG-CZ 4.24Å; F35-F55 PolarHBondContact N-O 2.97Å; F35-F55 PolarHBondContact O-N 3.12Å; N53-F55 HydrophobicContact CB-CE1 4.41Å; F55-V57 HydrophobicContact CE2-CG1 4.46Å; F55-I75 HydrophobicContact CE2-CD1 3.99Å; F55-I75 HydrophobicContact CE2-CG2 4.42Å; F55-I75 HydrophobicContact CZ-CD1 4.29Å; F55-R86 HydrophobicContact CE1-CG 4.2Å; F55-R86 HydrophobicContact CE2-CG 4.25Å; F55-R86 HydrophobicContact CZ-CB 4.24Å; F55-R86 HydrophobicContact CZ-CG 4.04Å; F55-F88 HydrophobicContact CE1-CZ 4.27Å; F55-F88 HydrophobicContact CZ-CE2 4.22Å; F55-F88 AromaticContact CZ-CZ 3.66Å; F55-F88 HydrophobicContact CZ-CZ 3.66Å
56S78.9Confident69.6Low50 Ų5069 Ų6935%0.3536%0.358SS..EExtended strand (participates in β ladder)trans-83.3142.2175.2-176.80000111.1G33 A58 C77G33-S56 CarbonylContact O-C 3.6Å; G33-S56 WeakPolarHBondContact O-CA 3.19Å; S56-A58 VanDerWaalsContact OG-CB 3.27Å; S56-A58 WeakPolarHBondContact OG-CB 3.33Å; S56-A58 PolarHBondContact OG-N 3.27Å; S56-C77 PolarHBondContact O-SG 3.43Å; S56-C77 VanDerWaalsContact O-SG 3.41Å
57V82.6Confident71Confident0 Ų071.2 Ų71.20%036%0.355CS..  trans-93.54.6168.7-58.50000112.5L29 G33 F35 F55 Q59 C60 I75 I103 V106 A107L29-V57 HydrophobicContact CD1-CG1 4.48Å; L29-V57 HydrophobicContact CD1-CG2 4.02Å; G33-V57 WeakPolarHBondContact O-CG2 3.42Å; G33-V57 PolarHBondContact O-N 2.91Å; F35-V57 HydrophobicContact CB-CG1 3.67Å; F35-V57 HydrophobicContact CD1-CG1 4.26Å; F35-V57 HydrophobicContact CG-CG1 4.2Å; F55-V57 HydrophobicContact CE2-CG1 4.46Å; V57-Q59 PolarHBondContact O-N 2.71Å; V57-C60 WeakPolarHBondContact O-CB 3.24Å; V57-C60 PolarHBondContact O-N 2.88Å; V57-C60 PolarHBondContact O-SG 3.29Å; V57-I75 HydrophobicContact CG1-CD1 4.45Å; V57-I103 HydrophobicContact CB-CG2 3.88Å; V57-I103 HydrophobicContact CG1-CG2 3.84Å; V57-I103 HydrophobicContact CG2-CG2 4.23Å; V57-V106 HydrophobicContact CG2-CB 4.44Å; V57-V106 HydrophobicContact CG2-CG1 4.07Å; V57-A107 VanDerWaalsContact O-CB 3.28Å; V57-A107 WeakPolarHBondContact O-CB 3.24Å
58A78.8Confident72.8Confident28 Ų2868.8 Ų68.823%0.23135%0.35CS..THydrogen-bonded Turntrans-57.2133.8172.500000110.2S56 C60 L110S56-A58 VanDerWaalsContact OG-CB 3.27Å; S56-A58 WeakPolarHBondContact OG-CB 3.33Å; S56-A58 PolarHBondContact OG-N 3.27Å; A58-C60 PolarHBondContact O-N 3.27Å; A58-C60 VanDerWaalsContact O-N 3.09Å; A58-L110 HydrophobicContact CB-CD1 4.11Å
59Q76.8Confident74.8Confident128 Ų12863.5 Ų63.560%0.59832%0.32SS*.THydrogen-bonded Turntrans53.830.3178.7-53.4178.40.100113.6V57 E114V57-Q59 PolarHBondContact O-N 2.71Å; Q59-E114 PolarHBondContact NE2-OE2 3.03Å
60C81.1Confident76.9Confident15 Ų1563.3 Ų63.310%0.10133%0.325CS..PPolyproline II helixtrans-82.9148.9177.777.20000112.6V57 A58 I75 R76 C77V57-C60 WeakPolarHBondContact O-CB 3.24Å; V57-C60 PolarHBondContact O-N 2.88Å; V57-C60 PolarHBondContact O-SG 3.29Å; A58-C60 PolarHBondContact O-N 3.27Å; A58-C60 VanDerWaalsContact O-N 3.09Å; C60-I75 HydrophobicContact CB-CG2 3.77Å; C60-R76 CarbonylContact C-O 3.6Å; C60-R76 WeakPolarHBondContact CA-O 3.38Å; C60-C77 HydrophobicContact CB-CB 4.5Å; C60-C77 WeakPolarHBondContact CB-SG 3.08Å
61Q84.1Confident79Confident103 Ų10360.8 Ų60.848%0.48131%0.309SS..EExtended strand (participates in β ladder)trans-100121166.5-178.1179.332.500109.2M63 R76Q61-M63 HydrophobicContact CG-CG 4.41Å; Q61-R76 HydrophobicContact CB-CB 4.27Å; Q61-R76 PolarHBondContact N-O 3.33Å; Q61-R76 PolarHBondContact O-N 3.3Å
62L88.8Confident81.2Confident36 Ų3659.2 Ų59.219%0.18830%0.299CS..EExtended strand (participates in β ladder)trans-90.9134.6172.8-76.9168.9000111.3I74 I75 T100 I103 Q104L62-I74 WeakPolarHBondContact CA-O 3.34Å; L62-I75 HydrophobicContact CD2-CB 4.44Å; L62-I75 HydrophobicContact CD2-CG1 3.73Å; L62-T100 VanDerWaalsContact CD1-O 3.24Å; L62-T100 WeakPolarHBondContact CD1-O 3.28Å; L62-T100 HydrophobicContact CD2-CG2 4.4Å; L62-I103 HydrophobicContact CD1-CB 4.05Å; L62-I103 HydrophobicContact CD1-CG2 3.89Å; L62-I103 HydrophobicContact CD2-CG2 4.13Å; L62-I103 HydrophobicContact CG-CG2 4.29Å; L62-Q104 HydrophobicContact CD1-CB 3.98Å
63M90.4Very high83.3Confident70 Ų7058.2 Ų58.235%0.34529%0.294SS..EExtended strand (participates in β ladder)trans-128.2136.6174.4-55.6174.565.800110Q61 F73 I74 R76Q61-M63 HydrophobicContact CG-CG 4.41Å; M63-F73 CarbonylContact O-C 3.52Å; M63-F73 VanDerWaalsContact O-CA 3.24Å; M63-F73 WeakPolarHBondContact O-CA 3.43Å; M63-I74 HydrophobicContact CB-CB 4.3Å; M63-I74 PolarHBondContact N-O 3.27Å; M63-I74 PolarHBondContact O-N 2.76Å; M63-R76 VanDerWaalsContact SD-CZ 3.53Å; M63-R76 PolarHBondContact SD-NH2 2.88Å
64K93.9Very high85.2Confident100 Ų10059 Ų5944%0.43530%0.298SS..EExtended strand (participates in β ladder)trans-103.8135.7173.4-63.1173.2-174.7172.30108.7E97 T100K64-E97 IonicContact NZ-OE1 2.82Å; K64-E97 PolarHBondContact NZ-OE1 2.84Å; K64-E97 IonicContact NZ-OE2 2.61Å; K64-E97 PolarHBondContact NZ-OE2 3.25Å; K64-T100 WeakPolarHBondContact CE-OG1 3.37Å; K64-T100 HydrophobicContact CG-CG2 4.46Å
65T90.6Very high86.2Confident41 Ų4155 Ų5525%0.25228%0.276SS..EExtended strand (participates in β ladder)trans-145.3151.1-179.5175.20000110.8R67 T72 I74 R96T65-R67 WeakPolarHBondContact CG2-O 3.37Å; T65-R67 PolarHBondContact OG1-N 3.03Å; T65-R67 PolarHBondContact OG1-O 2.76Å; T65-T72 HydrophobicContact CG2-CG2 3.51Å; T65-T72 PolarHBondContact N-O 3.49Å; T65-T72 CarbonylContact O-C 3.28Å; T65-T72 WeakPolarHBondContact O-CA 3.45Å; T65-T72 VanDerWaalsContact O-CB 3.31Å; T65-T72 WeakPolarHBondContact O-CB 3.5Å; T65-T72 PolarHBondContact O-N 3.19Å; T65-I74 HydrophobicContact CG2-CD1 4Å; T65-I74 HydrophobicContact CG2-CG1 4.26Å; T65-R96 PolarHBondContact O-NH1 3.16Å
66E91.7Very high86.5Confident96 Ų9657.7 Ų57.745%0.44929%0.286SS..  trans-98.24.1172.7-56.5-52.1142.300112.4K69 P70 N71 R96E66-K69 CarbonylContact C-O 3.58Å; E66-K69 VanDerWaalsContact C-O 3.28Å; E66-K69 CarbonylContact O-C 3.29Å; E66-K69 VanDerWaalsContact O-C 3.29Å; E66-P70 VanDerWaalsContact OE2-CA 3.23Å; E66-P70 WeakPolarHBondContact OE2-CA 3.2Å; E66-N71 PolarHBondContact OE2-N 2.88Å; E66-R96 IonicContact OE1-CZ 4Å; E66-R96 IonicContact OE1-NH1 2.73Å; E66-R96 PolarHBondContact OE1-NH1 2.7Å; E66-R96 IonicContact OE1-NH2 2.73Å; E66-R96 PolarHBondContact OE1-NH2 3.4Å; E66-R96 IonicContact OE2-NH1 3.16Å
67R78.5Confident86.2Confident207 Ų20755.6 Ų55.678%0.78127%0.271SS*.SBendtrans-123.5142.3177.2-65.8-173179.8-165.80.5111T65T65-R67 WeakPolarHBondContact CG2-O 3.37Å; T65-R67 PolarHBondContact OG1-N 3.03Å; T65-R67 PolarHBondContact OG1-O 2.76Å
68P81Confident84.6Confident77 Ų7760.6 Ų60.650%0.530%0.297SS..SBendcis-82-7.62.533.8-35.4000114.5W22W22-P68 HydrophobicContact CZ2-CG 3.98Å
69K88Confident83.2Confident69 Ų6962.8 Ų62.830%0.330%0.303SS..SBendtrans-128.2147.7174.7-163.8173-178.9-1590109.1W22 E66 T72 H89W22-K69 HydrophobicContact CZ2-CB 3.91Å; E66-K69 CarbonylContact C-O 3.58Å; E66-K69 VanDerWaalsContact C-O 3.28Å; E66-K69 CarbonylContact O-C 3.29Å; E66-K69 VanDerWaalsContact O-C 3.29Å; K69-T72 WeakPolarHBondContact O-CB 3.32Å; K69-T72 PolarHBondContact O-OG1 2.83Å; K69-H89 WeakPolarHBondContact CE-NE2 3.14Å; K69-H89 PolarHBondContact NZ-CD2 3.1Å; K69-H89 PolarHBondContact NZ-NE2 3.05Å
70P90.4Very high81.8Confident74 Ų7468.7 Ų68.748%0.48132%0.32SS..THydrogen-bonded Turntrans-54.6158172.4-26.435.2000112.2E66 T72 H89E66-P70 VanDerWaalsContact OE2-CA 3.23Å; E66-P70 WeakPolarHBondContact OE2-CA 3.2Å; P70-T72 PolarHBondContact O-N 3.21Å; P70-H89 PolarHBondContact O-CE1 3.4Å; P70-H89 VanDerWaalsContact O-CE1 3.23Å; P70-H89 PolarHBondContact O-ND1 3.07Å
71N93.4Very high79.6Confident20 Ų2073.5 Ų73.511%0.10735%0.348CS..THydrogen-bonded Turntrans58.330.9176.3-55.6-34.8000113.7E66 V90 E91 P93E66-N71 PolarHBondContact OE2-N 2.88Å; N71-V90 HydrophobicContact CB-CG2 4.23Å; N71-V90 WeakPolarHBondContact CB-O 3.16Å; N71-V90 PolarHBondContact O-N 3.11Å; N71-E91 PolarHBondContact ND2-O 2.96Å; N71-P93 WeakPolarHBondContact OD1-CG 3.47Å
72T94.5Very high77.5Confident0 Ų070.7 Ų70.70%034%0.338CS..EExtended strand (participates in β ladder)trans-85143.8176.4-65.60000110.3W22 T65 K69 P70 T87 F88 R96W22-T72 HydrophobicContact CH2-CG2 4.15Å; T65-T72 HydrophobicContact CG2-CG2 3.51Å; T65-T72 PolarHBondContact N-O 3.49Å; T65-T72 CarbonylContact O-C 3.28Å; T65-T72 WeakPolarHBondContact O-CA 3.45Å; T65-T72 VanDerWaalsContact O-CB 3.31Å; T65-T72 WeakPolarHBondContact O-CB 3.5Å; T65-T72 PolarHBondContact O-N 3.19Å; K69-T72 WeakPolarHBondContact O-CB 3.32Å; K69-T72 PolarHBondContact O-OG1 2.83Å; P70-T72 PolarHBondContact O-N 3.21Å; T72-T87 HydrophobicContact CG2-CG2 3.4Å; T72-F88 CarbonylContact C-O 3.09Å; T72-F88 VanDerWaalsContact CA-O 3.25Å; T72-F88 WeakPolarHBondContact CA-O 3.42Å; T72-F88 WeakPolarHBondContact CG2-O 3.39Å; T72-R96 WeakPolarHBondContact O-CD 3.3Å; T72-R96 PolarHBondContact O-NH1 2.87Å
73F94.6Very high75.9Confident0 Ų073.2 Ų73.20%036%0.355CS..EExtended strand (participates in β ladder)trans-133.3150.1166.665.8-84.4000111L12 M63 I75 F88 V90 R96 W99 T100 I103L12-F73 HydrophobicContact CD1-CZ 4.05Å; L12-F73 HydrophobicContact CD2-CE1 4.14Å; L12-F73 HydrophobicContact CD2-CZ 4.02Å; M63-F73 CarbonylContact O-C 3.52Å; M63-F73 VanDerWaalsContact O-CA 3.24Å; M63-F73 WeakPolarHBondContact O-CA 3.43Å; F73-I75 HydrophobicContact CD2-CG1 4.42Å; F73-I75 HydrophobicContact CE2-CD1 4.49Å; F73-I75 HydrophobicContact CE2-CG1 4.43Å; F73-F88 HydrophobicContact CD1-CB 3.94Å; F73-F88 HydrophobicContact CD2-CB 4.03Å; F73-F88 HydrophobicContact CD2-CD2 4.01Å; F73-F88 HydrophobicContact CD2-CG 4.41Å; F73-F88 HydrophobicContact CE1-CB 3.51Å; F73-F88 HydrophobicContact CE1-CG 4.48Å; F73-F88 HydrophobicContact CE2-CB 3.6Å; F73-F88 AromaticContact CE2-CD2 3.58Å; F73-F88 HydrophobicContact CE2-CD2 3.58Å; F73-F88 AromaticContact CE2-CG 3.78Å; F73-F88 HydrophobicContact CE2-CG 3.78Å; F73-F88 HydrophobicContact CG-CB 4.2Å; F73-F88 HydrophobicContact CZ-CB 3.32Å; F73-F88 HydrophobicContact CZ-CD2 4.13Å; F73-F88 AromaticContact CZ-CG 3.83Å; F73-F88 HydrophobicContact CZ-CG 3.83Å; F73-F88 PolarHBondContact N-O 2.81Å; F73-F88 PolarHBondContact O-N 3.2Å; F73-V90 HydrophobicContact CE1-CG1 4.18Å; F73-R96 HydrophobicContact CB-CG 4.15Å; F73-R96 HydrophobicContact CD1-CG 3.95Å; F73-R96 HydrophobicContact CG-CG 4.4Å; F73-W99 HydrophobicContact CE1-CB 4.38Å; F73-W99 HydrophobicContact CZ-CB 4.09Å; F73-W99 HydrophobicContact CZ-CG 4.49Å; F73-T100 HydrophobicContact CB-CG2 3.79Å; F73-T100 HydrophobicContact CD2-CG2 4Å; F73-T100 HydrophobicContact CG-CG2 3.89Å; F73-I103 HydrophobicContact CE2-CD1 4.08Å
74I90.8Very high74.6Confident25 Ų2571.5 Ų71.513%0.12835%0.347CS..EExtended strand (participates in β ladder)trans-122.7129.3-177.3-56.5171.5000107.8L62 M63 T65 E85 R86 T87L62-I74 WeakPolarHBondContact CA-O 3.34Å; M63-I74 HydrophobicContact CB-CB 4.3Å; M63-I74 PolarHBondContact N-O 3.27Å; M63-I74 PolarHBondContact O-N 2.76Å; T65-I74 HydrophobicContact CG2-CD1 4Å; T65-I74 HydrophobicContact CG2-CG1 4.26Å; I74-E85 HydrophobicContact CG2-CB 4.07Å; I74-E85 HydrophobicContact CG2-CG 4.31Å; I74-R86 CarbonylContact C-O 3.59Å; I74-R86 WeakPolarHBondContact CA-O 3.5Å; I74-T87 HydrophobicContact CG1-CG2 4.06Å
75I88.4Confident74Confident0 Ų070.7 Ų70.70%035%0.345CS..EExtended strand (participates in β ladder)trans-98.2117167.6-51179000106.4F35 F55 V57 C60 L62 F73 E85 R86 F88 I103F35-I75 HydrophobicContact CD1-CD1 3.69Å; F35-I75 HydrophobicContact CE1-CD1 3.57Å; F55-I75 HydrophobicContact CE2-CD1 3.99Å; F55-I75 HydrophobicContact CE2-CG2 4.42Å; F55-I75 HydrophobicContact CZ-CD1 4.29Å; V57-I75 HydrophobicContact CG1-CD1 4.45Å; C60-I75 HydrophobicContact CB-CG2 3.77Å; L62-I75 HydrophobicContact CD2-CB 4.44Å; L62-I75 HydrophobicContact CD2-CG1 3.73Å; F73-I75 HydrophobicContact CD2-CG1 4.42Å; F73-I75 HydrophobicContact CE2-CD1 4.49Å; F73-I75 HydrophobicContact CE2-CG1 4.43Å; I75-E85 CarbonylContact O-C 3.47Å; I75-E85 WeakPolarHBondContact O-CA 3.48Å; I75-R86 PolarHBondContact N-O 2.79Å; I75-R86 PolarHBondContact O-N 3.41Å; I75-F88 HydrophobicContact CB-CE2 4.3Å; I75-F88 HydrophobicContact CD1-CD2 4.1Å; I75-F88 HydrophobicContact CD1-CE2 3.55Å; I75-F88 HydrophobicContact CD1-CZ 4.35Å; I75-F88 HydrophobicContact CG1-CD2 4.06Å; I75-F88 HydrophobicContact CG1-CE2 3.74Å; I75-I103 HydrophobicContact CD1-CD1 3.81Å
76R79.8Confident73.6Confident73 Ų7371.1 Ų71.128%0.27534%0.342SS..EExtended strand (participates in β ladder)trans-108.8118.1174.5179.1-172.2-69.2163.1-6.8108.5C60 Q61 M63 V83 I84 E85C60-R76 CarbonylContact C-O 3.6Å; C60-R76 WeakPolarHBondContact CA-O 3.38Å; Q61-R76 HydrophobicContact CB-CB 4.27Å; Q61-R76 PolarHBondContact N-O 3.33Å; Q61-R76 PolarHBondContact O-N 3.3Å; M63-R76 VanDerWaalsContact SD-CZ 3.53Å; M63-R76 PolarHBondContact SD-NH2 2.88Å; R76-V83 HydrophobicContact CG-CG1 3.46Å; R76-V83 VanDerWaalsContact CG-CG1 3.46Å; R76-I84 CarbonylContact C-O 3.56Å; R76-I84 VanDerWaalsContact CA-O 3.3Å; R76-I84 WeakPolarHBondContact CA-O 3.43Å; R76-E85 HydrophobicContact CB-CG 4.16Å; R76-E85 HydrophobicContact CG-CG 4.03Å; R76-E85 IonicContact CZ-OE1 3.2Å; R76-E85 IonicContact NE-OE1 3.88Å; R76-E85 PolarHBondContact NE-OE1 2.99Å; R76-E85 IonicContact NH2-OE1 2.77Å; R76-E85 PolarHBondContact NH2-OE1 3.13Å
77C71.3Confident73.5Confident6 Ų667.6 Ų67.64%0.04133%0.327CS..EExtended strand (participates in β ladder)trans-118.5146.6176.7-54.50000109.8S56 C60 Q79 I84S56-C77 PolarHBondContact O-SG 3.43Å; S56-C77 VanDerWaalsContact O-SG 3.41Å; C60-C77 HydrophobicContact CB-CB 4.5Å; C60-C77 WeakPolarHBondContact CB-SG 3.08Å; C77-Q79 HydrophobicContact CB-CG 4.5Å; C77-I84 PolarHBondContact N-O 3.01Å; C77-I84 PolarHBondContact O-N 2.56Å
78L49.4Very low74.3Confident105 Ų10557.7 Ų57.755%0.5529%0.29SS..EExtended strand (participates in β ladder)trans-88.5111.7161.9-173.568.9000107.3V83L78-V83 HydrophobicContact CD1-CG2 4.08Å
79Q49.9Very low74.9Confident74 Ų7454.2 Ų54.235%0.34627%0.267SS..EExtended strand (participates in β ladder)trans-105.5110.6169.7-69.7-171.3-5.200107.5C77 T81 T82 I84C77-Q79 HydrophobicContact CB-CG 4.5Å; Q79-T81 PolarHBondContact O-N 3.16Å; Q79-T82 PolarHBondContact N-O 3.09Å; Q79-T82 PolarHBondContact O-N 2.94Å; Q79-T82 VanDerWaalsContact O-N 3.08Å; Q79-I84 HydrophobicContact CB-CD1 3.8Å; Q79-I84 HydrophobicContact CG-CD1 3.95Å
80W46.4Very low75.2Confident252 Ų25251.1 Ų51.196%0.95525%0.253SS*.THydrogen-bonded Turntrans59.9-101.7-172-59.786.4000112
81T35Very low75.4Confident115 Ų11552.9 Ų52.971%0.70626%0.255SS*.THydrogen-bonded Turntrans-113.3-0.8179.351.10000113.1Q79Q79-T81 PolarHBondContact O-N 3.16Å
82T40.4Very low75.4Confident44 Ų4454.1 Ų54.127%0.2726%0.263SS..EExtended strand (participates in β ladder)trans-108.8128.8-171.2-47.10000110.9Q79 I84 D183Q79-T82 PolarHBondContact N-O 3.09Å; Q79-T82 PolarHBondContact O-N 2.94Å; Q79-T82 VanDerWaalsContact O-N 3.08Å; T82-I84 HydrophobicContact CG2-CG1 4.22Å; T82-I84 PolarHBondContact O-N 3.27Å; T82-D183 WeakPolarHBondContact CB-OD2 3.34Å; T82-D183 WeakPolarHBondContact CG2-OD2 3.49Å; T82-D183 VanDerWaalsContact OG1-CG 3.28Å; T82-D183 PolarHBondContact OG1-OD1 2.79Å; T82-D183 PolarHBondContact OG1-OD2 2.89Å
83V54.8Low75.4Confident89 Ų8957 Ų5754%0.53928%0.282SS..EExtended strand (participates in β ladder)trans-79.9112.3171.1-1790000108.5R76 L78R76-V83 HydrophobicContact CG-CG1 3.46Å; R76-V83 VanDerWaalsContact CG-CG1 3.46Å; L78-V83 HydrophobicContact CD1-CG2 4.08Å
84I63.9Low75.4Confident34 Ų3462.9 Ų62.917%0.17431%0.31CS..EExtended strand (participates in β ladder)trans-104.2128.4178.5-59.6-177.6000108.9R76 C77 Q79 T82 R86R76-I84 CarbonylContact C-O 3.56Å; R76-I84 VanDerWaalsContact CA-O 3.3Å; R76-I84 WeakPolarHBondContact CA-O 3.43Å; C77-I84 PolarHBondContact N-O 3.01Å; C77-I84 PolarHBondContact O-N 2.56Å; Q79-I84 HydrophobicContact CB-CD1 3.8Å; Q79-I84 HydrophobicContact CG-CD1 3.95Å; T82-I84 HydrophobicContact CG2-CG1 4.22Å; T82-I84 PolarHBondContact O-N 3.27Å; I84-R86 HydrophobicContact CG2-CG 4.48Å; I84-R86 VanDerWaalsContact CG2-NH1 3.26Å
85E80.3Confident75.6Confident83 Ų8365.3 Ų65.339%0.38832%0.32SS..EExtended strand (participates in β ladder)trans-110138.5173.3-65.6-171.4163.300111.2I74 I75 R76I74-E85 HydrophobicContact CG2-CB 4.07Å; I74-E85 HydrophobicContact CG2-CG 4.31Å; I75-E85 CarbonylContact O-C 3.47Å; I75-E85 WeakPolarHBondContact O-CA 3.48Å; R76-E85 HydrophobicContact CB-CG 4.16Å; R76-E85 HydrophobicContact CG-CG 4.03Å; R76-E85 IonicContact CZ-OE1 3.2Å; R76-E85 IonicContact NE-OE1 3.88Å; R76-E85 PolarHBondContact NE-OE1 2.99Å; R76-E85 IonicContact NH2-OE1 2.77Å; R76-E85 PolarHBondContact NH2-OE1 3.13Å
86R83.4Confident75.9Confident50 Ų5066.5 Ų66.519%0.18933%0.325CS..EExtended strand (participates in β ladder)trans-127.9118174.1-59.8-66.9177.9-123.721.1108.5E17 F55 I74 I75 I84 F88E17-R86 WeakPolarHBondContact OE1-CD 3.38Å; E17-R86 IonicContact OE1-CZ 3.91Å; E17-R86 IonicContact OE1-NE 2.68Å; E17-R86 PolarHBondContact OE1-NE 3.05Å; E17-R86 VanDerWaalsContact OE1-NE 3.15Å; E17-R86 IonicContact OE1-NH1 2.76Å; E17-R86 PolarHBondContact OE1-NH1 3.03Å; E17-R86 VanDerWaalsContact OE1-NH1 3.16Å; E17-R86 IonicContact OE1-NH2 3.14Å; E17-R86 PolarHBondContact OE1-NH2 3.48Å; E17-R86 IonicContact OE2-CZ 2.77Å; E17-R86 IonicContact OE2-NH1 2.7Å; E17-R86 PolarHBondContact OE2-NH1 3.03Å; E17-R86 IonicContact OE2-NH2 3.81Å; E17-R86 PolarHBondContact OE2-NH2 3.41Å; F55-R86 HydrophobicContact CE1-CG 4.2Å; F55-R86 HydrophobicContact CE2-CG 4.25Å; F55-R86 HydrophobicContact CZ-CB 4.24Å; F55-R86 HydrophobicContact CZ-CG 4.04Å; I74-R86 CarbonylContact C-O 3.59Å; I74-R86 WeakPolarHBondContact CA-O 3.5Å; I75-R86 PolarHBondContact N-O 2.79Å; I75-R86 PolarHBondContact O-N 3.41Å; I84-R86 HydrophobicContact CG2-CG 4.48Å; I84-R86 VanDerWaalsContact CG2-NH1 3.26Å; R86-F88 HydrophobicContact CB-CD2 4.5Å; R86-F88 HydrophobicContact CB-CE2 3.43Å; R86-F88 VanDerWaalsContact CB-CE2 3.43Å; R86-F88 HydrophobicContact CB-CZ 3.6Å; R86-F88 WeakPolarHBondContact O-CD2 3.44Å; R86-F88 WeakPolarHBondContact O-CE2 3.43Å
87T89.6Confident76.7Confident22 Ų2267.6 Ų67.614%0.13533%0.333CS..EExtended strand (participates in β ladder)trans-101.6129-176.7-51.60000110.9R15 W22 T72 I74R15-T87 HydrophobicContact CB-CG2 4.43Å; R15-T87 PolarHBondContact N-O 3.35Å; W22-T87 HydrophobicContact CH2-CG2 3.82Å; W22-T87 HydrophobicContact CZ3-CG2 4.32Å; T72-T87 HydrophobicContact CG2-CG2 3.4Å; I74-T87 HydrophobicContact CG1-CG2 4.06Å
88F94.1Very high77.8Confident0 Ų072.5 Ų72.50%036%0.356CS..EExtended strand (participates in β ladder)trans-126.7152.1-177.7-57.4-80.9000111.1L12 H13 K14 F27 F35 F55 T72 F73 I75 R86L12-F88 HydrophobicContact CB-CD1 4.37Å; L12-F88 HydrophobicContact CD1-CD1 4.08Å; H13-F88 CarbonylContact O-C 3.45Å; H13-F88 WeakPolarHBondContact O-CA 2.98Å; K14-F88 HydrophobicContact CB-CD1 4.3Å; K14-F88 HydrophobicContact CB-CE1 4.2Å; K14-F88 HydrophobicContact CG-CD1 4.33Å; K14-F88 HydrophobicContact CG-CE1 3.89Å; F27-F88 AromaticContact CE1-CE1 3.89Å; F27-F88 HydrophobicContact CE1-CE1 3.89Å; F27-F88 HydrophobicContact CE1-CZ 4.39Å; F27-F88 HydrophobicContact CE2-CD1 4.31Å; F27-F88 AromaticContact CE2-CE1 3.92Å; F27-F88 HydrophobicContact CE2-CE1 3.92Å; F27-F88 HydrophobicContact CZ-CD1 4.29Å; F27-F88 AromaticContact CZ-CE1 3.47Å; F27-F88 HydrophobicContact CZ-CE1 3.47Å; F27-F88 VanDerWaalsContact CZ-CE1 3.47Å; F27-F88 HydrophobicContact CZ-CZ 4.32Å; F35-F88 HydrophobicContact CE1-CE1 4.33Å; F35-F88 HydrophobicContact CE1-CE2 4.29Å; F35-F88 HydrophobicContact CE1-CZ 4.01Å; F55-F88 HydrophobicContact CE1-CZ 4.27Å; F55-F88 HydrophobicContact CZ-CE2 4.22Å; F55-F88 AromaticContact CZ-CZ 3.66Å; F55-F88 HydrophobicContact CZ-CZ 3.66Å; T72-F88 CarbonylContact C-O 3.09Å; T72-F88 VanDerWaalsContact CA-O 3.25Å; T72-F88 WeakPolarHBondContact CA-O 3.42Å; T72-F88 WeakPolarHBondContact CG2-O 3.39Å; F73-F88 HydrophobicContact CD1-CB 3.94Å; F73-F88 HydrophobicContact CD2-CB 4.03Å; F73-F88 HydrophobicContact CD2-CD2 4.01Å; F73-F88 HydrophobicContact CD2-CG 4.41Å; F73-F88 HydrophobicContact CE1-CB 3.51Å; F73-F88 HydrophobicContact CE1-CG 4.48Å; F73-F88 HydrophobicContact CE2-CB 3.6Å; F73-F88 AromaticContact CE2-CD2 3.58Å; F73-F88 HydrophobicContact CE2-CD2 3.58Å; F73-F88 AromaticContact CE2-CG 3.78Å; F73-F88 HydrophobicContact CE2-CG 3.78Å; F73-F88 HydrophobicContact CG-CB 4.2Å; F73-F88 HydrophobicContact CZ-CB 3.32Å; F73-F88 HydrophobicContact CZ-CD2 4.13Å; F73-F88 AromaticContact CZ-CG 3.83Å; F73-F88 HydrophobicContact CZ-CG 3.83Å; F73-F88 PolarHBondContact N-O 2.81Å; F73-F88 PolarHBondContact O-N 3.2Å; I75-F88 HydrophobicContact CB-CE2 4.3Å; I75-F88 HydrophobicContact CD1-CD2 4.1Å; I75-F88 HydrophobicContact CD1-CE2 3.55Å; I75-F88 HydrophobicContact CD1-CZ 4.35Å; I75-F88 HydrophobicContact CG1-CD2 4.06Å; I75-F88 HydrophobicContact CG1-CE2 3.74Å; R86-F88 HydrophobicContact CB-CD2 4.5Å; R86-F88 HydrophobicContact CB-CE2 3.43Å; R86-F88 VanDerWaalsContact CB-CE2 3.43Å; R86-F88 HydrophobicContact CB-CZ 3.6Å; R86-F88 WeakPolarHBondContact O-CD2 3.44Å; R86-F88 WeakPolarHBondContact O-CE2 3.43Å
89H94.3Very high80.1Confident4 Ų468 Ų682%0.01933%0.331CS..EExtended strand (participates in β ladder)trans-135.4145.1175.6162.777.2000110.2H13 W22 K69 P70 E91H13-H89 HydrophobicContact CB-CB 4.12Å; H13-H89 WeakPolarHBondContact CB-O 3.43Å; H13-H89 AromaticContact CG-CD2 3.98Å; H13-H89 PolarHBondContact N-O 3.2Å; H13-H89 AromaticContact ND1-CD2 3.82Å; H13-H89 PolarHBondContact O-N 2.89Å; W22-H89 HydrophobicContact CD2-CB 4.49Å; W22-H89 HydrophobicContact CE3-CB 3.78Å; W22-H89 HydrophobicContact CH2-CB 3.58Å; W22-H89 HydrophobicContact CZ2-CB 4.33Å; W22-H89 HydrophobicContact CZ3-CB 3.29Å; K69-H89 WeakPolarHBondContact CE-NE2 3.14Å; K69-H89 PolarHBondContact NZ-CD2 3.1Å; K69-H89 PolarHBondContact NZ-NE2 3.05Å; P70-H89 PolarHBondContact O-CE1 3.4Å; P70-H89 VanDerWaalsContact O-CE1 3.23Å; P70-H89 PolarHBondContact O-ND1 3.07Å; H89-E91 IonicContact NE2-OE1 2.71Å
90V95.6Very high82.2Confident3 Ų364.7 Ų64.72%0.01832%0.316CS..  trans-133.5161175.6-71.30000109.7L12 N71 F73 T92 E95 R96L12-V90 HydrophobicContact CD2-CG1 3.24Å; N71-V90 HydrophobicContact CB-CG2 4.23Å; N71-V90 WeakPolarHBondContact CB-O 3.16Å; N71-V90 PolarHBondContact O-N 3.11Å; F73-V90 HydrophobicContact CE1-CG1 4.18Å; V90-T92 WeakPolarHBondContact CG2-O 3.46Å; V90-E95 HydrophobicContact CB-CB 3.96Å; V90-E95 HydrophobicContact CG1-CB 4.35Å; V90-E95 HydrophobicContact CG2-CB 4.04Å; V90-R96 HydrophobicContact CG2-CB 3.57Å; V90-R96 HydrophobicContact CG2-CG 4.49Å
91E93.5Very high84.5Confident111 Ų11159.6 Ų59.652%0.51930%0.301SS..SBendtrans-73.9-32.4-172.2-63.7-59.3150.100112H13 N71 H89H13-E91 IonicContact CE1-OE1 2.67Å; H13-E91 PolarHBondContact CE1-OE1 3.06Å; H13-E91 IonicContact ND1-OE1 3.48Å; N71-E91 PolarHBondContact ND2-O 2.96Å; H89-E91 IonicContact NE2-OE1 2.71Å
92T94.4Very high87.3Confident46 Ų4654.9 Ų54.928%0.28227%0.274SS..SBendtrans-121.8149.6-17468.20000113.5V90 E94 E95 R96V90-T92 WeakPolarHBondContact CG2-O 3.46Å; T92-E94 WeakPolarHBondContact CB-OE2 3.34Å; T92-E94 PolarHBondContact O-N 3.22Å; T92-E95 PolarHBondContact O-N 2.99Å; T92-E95 WeakPolarHBondContact OG1-CB 3.45Å; T92-E95 WeakPolarHBondContact OG1-CG 3.37Å; T92-E95 PolarHBondContact OG1-N 2.87Å; T92-E95 PolarHBondContact OG1-OE1 2.93Å; T92-R96 PolarHBondContact O-N 3.32Å
93P93.3Very high89.7Confident60 Ų6052.8 Ų52.839%0.3926%0.261SS..Hα-helixtrans-59.1-33.8171.9-20.829.9000113.1N71 R96 E97N71-P93 WeakPolarHBondContact OD1-CG 3.47Å; P93-R96 WeakPolarHBondContact O-CB 3.47Å; P93-R96 PolarHBondContact O-N 3.48Å; P93-E97 PolarHBondContact O-N 2.89Å
94E95.1Very high91.5Very high124 Ų12451.9 Ų51.958%0.57925%0.251SS*.Hα-helixtrans-65-47.1179.6-63.971.1-153.700110.8T92 R96 E97 E98T92-E94 WeakPolarHBondContact CB-OE2 3.34Å; T92-E94 PolarHBondContact O-N 3.22Å; E94-R96 VanDerWaalsContact C-N 3.26Å; E94-R96 PolarHBondContact O-N 2.81Å; E94-E97 WeakPolarHBondContact O-CB 3.47Å; E94-E97 PolarHBondContact O-N 2.95Å; E94-E97 VanDerWaalsContact O-N 3.13Å; E94-E98 WeakPolarHBondContact O-CG 3.43Å; E94-E98 PolarHBondContact O-N 3.09Å
95E94.1Very high92.8Very high76 Ų7654.3 Ų54.336%0.35527%0.267SS..Hα-helixtrans-58.4-40173.6-77.9168.6-152.400111.7V90 T92 E97 E98 W99V90-E95 HydrophobicContact CB-CB 3.96Å; V90-E95 HydrophobicContact CG1-CB 4.35Å; V90-E95 HydrophobicContact CG2-CB 4.04Å; T92-E95 PolarHBondContact O-N 2.99Å; T92-E95 WeakPolarHBondContact OG1-CB 3.45Å; T92-E95 WeakPolarHBondContact OG1-CG 3.37Å; T92-E95 PolarHBondContact OG1-N 2.87Å; T92-E95 PolarHBondContact OG1-OE1 2.93Å; E95-E97 VanDerWaalsContact C-N 3.31Å; E95-E97 PolarHBondContact O-N 3.34Å; E95-E98 PolarHBondContact O-N 2.98Å; E95-W99 VanDerWaalsContact O-CD1 3.24Å; E95-W99 PolarHBondContact O-N 3.05Å
96R96.5Very high93.2Very high25 Ų2551 Ų519%0.09425%0.253CS..Hα-helixtrans-63.3-42.1177.9-179.117462.6179.5-5.1110.5T65 E66 T72 F73 V90 T92 P93 E94 T100T65-R96 PolarHBondContact O-NH1 3.16Å; E66-R96 IonicContact OE1-CZ 4Å; E66-R96 IonicContact OE1-NH1 2.73Å; E66-R96 PolarHBondContact OE1-NH1 2.7Å; E66-R96 IonicContact OE1-NH2 2.73Å; E66-R96 PolarHBondContact OE1-NH2 3.4Å; E66-R96 IonicContact OE2-NH1 3.16Å; T72-R96 WeakPolarHBondContact O-CD 3.3Å; T72-R96 PolarHBondContact O-NH1 2.87Å; F73-R96 HydrophobicContact CB-CG 4.15Å; F73-R96 HydrophobicContact CD1-CG 3.95Å; F73-R96 HydrophobicContact CG-CG 4.4Å; V90-R96 HydrophobicContact CG2-CB 3.57Å; V90-R96 HydrophobicContact CG2-CG 4.49Å; T92-R96 PolarHBondContact O-N 3.32Å; P93-R96 WeakPolarHBondContact O-CB 3.47Å; P93-R96 PolarHBondContact O-N 3.48Å; E94-R96 VanDerWaalsContact C-N 3.26Å; E94-R96 PolarHBondContact O-N 2.81Å; R96-T100 HydrophobicContact CG-CG2 4.31Å; R96-T100 WeakPolarHBondContact O-CB 3.35Å; R96-T100 VanDerWaalsContact O-CG2 3.3Å; R96-T100 WeakPolarHBondContact O-CG2 3.39Å; R96-T100 PolarHBondContact O-N 2.87Å; R96-T100 PolarHBondContact O-OG1 3.25Å
97E94.9Very high93.4Very high96 Ų9649 Ų4945%0.44925%0.247SC..Hα-helixtrans-64.2-45.2178-161.560.8-136.400111.3K64 P93 E94 E95 W99 T100 K101K64-E97 IonicContact NZ-OE1 2.82Å; K64-E97 PolarHBondContact NZ-OE1 2.84Å; K64-E97 IonicContact NZ-OE2 2.61Å; K64-E97 PolarHBondContact NZ-OE2 3.25Å; P93-E97 PolarHBondContact O-N 2.89Å; E94-E97 WeakPolarHBondContact O-CB 3.47Å; E94-E97 PolarHBondContact O-N 2.95Å; E94-E97 VanDerWaalsContact O-N 3.13Å; E95-E97 VanDerWaalsContact C-N 3.31Å; E95-E97 PolarHBondContact O-N 3.34Å; E97-W99 PolarHBondContact O-N 3.36Å; E97-T100 PolarHBondContact O-N 3.25Å; E97-T100 PolarHBondContact O-OG1 2.96Å; E97-K101 WeakPolarHBondContact O-CB 3.48Å; E97-K101 PolarHBondContact O-N 3.4Å
98E95.6Very high93.2Very high110 Ų11052.6 Ų52.651%0.51426%0.262SS..Hα-helixtrans-61-46.1177.8-70.1-175.3-178.900112.8K8 E94 E95 A102K8-E98 IonicContact NZ-OE2 3.4Å; K8-E98 PolarHBondContact NZ-OE2 2.62Å; E94-E98 WeakPolarHBondContact O-CG 3.43Å; E94-E98 PolarHBondContact O-N 3.09Å; E95-E98 PolarHBondContact O-N 2.98Å; E98-A102 WeakPolarHBondContact O-CB 3.46Å; E98-A102 PolarHBondContact O-N 3.38Å
99W96.3Very high92.8Very high10 Ų1054.2 Ų54.24%0.03828%0.279CS..Hα-helixtrans-64.4-50.1178.4-85.7109.5000111.9K8 L12 F27 L29 F35 F73 E95 E97 K101 A102 I103K8-W99 HydrophobicContact CB-CE3 4.49Å; K8-W99 HydrophobicContact CB-CH2 4.39Å; K8-W99 HydrophobicContact CB-CZ3 4.02Å; K8-W99 HydrophobicContact CD-CD2 3.74Å; K8-W99 HydrophobicContact CD-CE3 3.67Å; K8-W99 HydrophobicContact CD-CG 4.26Å; K8-W99 HydrophobicContact CD-CH2 4.35Å; K8-W99 HydrophobicContact CD-CZ2 4.41Å; K8-W99 HydrophobicContact CD-CZ3 3.96Å; K8-W99 HydrophobicContact CG-CD2 4.39Å; K8-W99 HydrophobicContact CG-CE3 4.11Å; K8-W99 HydrophobicContact CG-CH2 3.95Å; K8-W99 HydrophobicContact CG-CZ2 4.23Å; K8-W99 HydrophobicContact CG-CZ3 3.85Å; L12-W99 HydrophobicContact CD1-CD2 4.27Å; L12-W99 HydrophobicContact CD1-CE3 4.44Å; L12-W99 HydrophobicContact CD1-CZ2 4.34Å; L12-W99 HydrophobicContact CD2-CD2 4.11Å; L12-W99 HydrophobicContact CD2-CG 4.08Å; L12-W99 HydrophobicContact CD2-CZ2 4.32Å; L12-W99 HydrophobicContact CG-CZ2 4.17Å; F27-W99 HydrophobicContact CB-CH2 4.16Å; L29-W99 HydrophobicContact CB-CZ3 4.36Å; F35-W99 HydrophobicContact CE2-CE3 4.21Å; F35-W99 HydrophobicContact CE2-CH2 4.32Å; F35-W99 AromaticContact CE2-CZ3 3.62Å; F35-W99 HydrophobicContact CE2-CZ3 3.62Å; F35-W99 HydrophobicContact CZ-CE3 4.35Å; F35-W99 HydrophobicContact CZ-CZ3 4.13Å; F73-W99 HydrophobicContact CE1-CB 4.38Å; F73-W99 HydrophobicContact CZ-CB 4.09Å; F73-W99 HydrophobicContact CZ-CG 4.49Å; E95-W99 VanDerWaalsContact O-CD1 3.24Å; E95-W99 PolarHBondContact O-N 3.05Å; E97-W99 PolarHBondContact O-N 3.36Å; W99-K101 VanDerWaalsContact C-N 3.33Å; W99-K101 PolarHBondContact O-N 3.34Å; W99-A102 PolarHBondContact O-N 3.25Å; W99-I103 WeakPolarHBondContact O-CD1 3.43Å; W99-I103 VanDerWaalsContact O-CG1 3.26Å; W99-I103 WeakPolarHBondContact O-CG1 3.22Å; W99-I103 PolarHBondContact O-N 3.45Å
100T94.8Very high92.2Very high5 Ų555.3 Ų55.33%0.03129%0.285CS..Hα-helixtrans-63.8-38.7-179.152.90000111.9L62 K64 F73 R96 E97 I103 Q104L62-T100 VanDerWaalsContact CD1-O 3.24Å; L62-T100 WeakPolarHBondContact CD1-O 3.28Å; L62-T100 HydrophobicContact CD2-CG2 4.4Å; K64-T100 WeakPolarHBondContact CE-OG1 3.37Å; K64-T100 HydrophobicContact CG-CG2 4.46Å; F73-T100 HydrophobicContact CB-CG2 3.79Å; F73-T100 HydrophobicContact CD2-CG2 4Å; F73-T100 HydrophobicContact CG-CG2 3.89Å; R96-T100 HydrophobicContact CG-CG2 4.31Å; R96-T100 WeakPolarHBondContact O-CB 3.35Å; R96-T100 VanDerWaalsContact O-CG2 3.3Å; R96-T100 WeakPolarHBondContact O-CG2 3.39Å; R96-T100 PolarHBondContact O-N 2.87Å; R96-T100 PolarHBondContact O-OG1 3.25Å; E97-T100 PolarHBondContact O-N 3.25Å; E97-T100 PolarHBondContact O-OG1 2.96Å; T100-I103 PolarHBondContact O-N 2.99Å; T100-Q104 VanDerWaalsContact O-CB 3.28Å; T100-Q104 WeakPolarHBondContact O-CB 3.25Å; T100-Q104 PolarHBondContact O-N 2.87Å
101K94Very high91.2Very high144 Ų14459.2 Ų59.263%0.62630%0.303SS*.Hα-helixtrans-65.7-42.4175.9-172.8177.3-179.3-178.90112.6E97 W99 Q104 T105E97-K101 WeakPolarHBondContact O-CB 3.48Å; E97-K101 PolarHBondContact O-N 3.4Å; W99-K101 VanDerWaalsContact C-N 3.33Å; W99-K101 PolarHBondContact O-N 3.34Å; K101-Q104 PolarHBondContact O-N 3.35Å; K101-T105 WeakPolarHBondContact O-CB 3.05Å; K101-T105 PolarHBondContact O-N 3.18Å; K101-T105 PolarHBondContact O-OG1 3.05Å
102A93.6Very high90.1Very high17 Ų1760.2 Ų60.214%0.1431%0.305CS..Hα-helixtrans-63.3-46.4177.200000111.4K8 L29 E98 W99 T105 V106K8-A102 HydrophobicContact CB-CB 4.25Å; K8-A102 HydrophobicContact CD-CB 3.9Å; L29-A102 HydrophobicContact CD2-CB 3.9Å; E98-A102 WeakPolarHBondContact O-CB 3.46Å; E98-A102 PolarHBondContact O-N 3.38Å; W99-A102 PolarHBondContact O-N 3.25Å; A102-T105 PolarHBondContact O-N 2.91Å; A102-V106 WeakPolarHBondContact O-CG2 3.22Å; A102-V106 PolarHBondContact O-N 3.43Å; A102-V106 VanDerWaalsContact O-N 3.11Å
103I92.6Very high88.7Confident0 Ų063.2 Ų63.20%032%0.316CS..Hα-helixtrans-61.3-46.4177.9-66.6161.7000110.8L29 F35 V57 L62 F73 I75 W99 T100 T105 V106 A107L29-I103 HydrophobicContact CD1-CG1 4.41Å; L29-I103 HydrophobicContact CD2-CG1 3.96Å; F35-I103 HydrophobicContact CE1-CD1 4.39Å; F35-I103 HydrophobicContact CZ-CD1 4.36Å; V57-I103 HydrophobicContact CB-CG2 3.88Å; V57-I103 HydrophobicContact CG1-CG2 3.84Å; V57-I103 HydrophobicContact CG2-CG2 4.23Å; L62-I103 HydrophobicContact CD1-CB 4.05Å; L62-I103 HydrophobicContact CD1-CG2 3.89Å; L62-I103 HydrophobicContact CD2-CG2 4.13Å; L62-I103 HydrophobicContact CG-CG2 4.29Å; F73-I103 HydrophobicContact CE2-CD1 4.08Å; I75-I103 HydrophobicContact CD1-CD1 3.81Å; W99-I103 WeakPolarHBondContact O-CD1 3.43Å; W99-I103 VanDerWaalsContact O-CG1 3.26Å; W99-I103 WeakPolarHBondContact O-CG1 3.22Å; W99-I103 PolarHBondContact O-N 3.45Å; T100-I103 PolarHBondContact O-N 2.99Å; I103-T105 VanDerWaalsContact C-N 3.33Å; I103-T105 PolarHBondContact O-N 2.88Å; I103-V106 PolarHBondContact O-N 2.76Å; I103-A107 WeakPolarHBondContact O-CB 3.44Å; I103-A107 PolarHBondContact O-N 2.84Å
104Q91.3Very high87.1Confident69 Ų6964.9 Ų64.932%0.32232%0.319SS..Hα-helixtrans-60.3-43.4178.4-171.864.633.900111.6L62 T100 K101 V106 A107 E108L62-Q104 HydrophobicContact CD1-CB 3.98Å; T100-Q104 VanDerWaalsContact O-CB 3.28Å; T100-Q104 WeakPolarHBondContact O-CB 3.25Å; T100-Q104 PolarHBondContact O-N 2.87Å; K101-Q104 PolarHBondContact O-N 3.35Å; Q104-V106 VanDerWaalsContact C-N 3.34Å; Q104-V106 PolarHBondContact O-N 3.28Å; Q104-A107 PolarHBondContact O-N 2.94Å; Q104-E108 HydrophobicContact CG-CG 4.49Å; Q104-E108 WeakPolarHBondContact CG-OE1 3.3Å; Q104-E108 PolarHBondContact NE2-OE1 3.44Å; Q104-E108 WeakPolarHBondContact O-CB 3.35Å; Q104-E108 WeakPolarHBondContact O-CG 3.45Å; Q104-E108 PolarHBondContact O-N 3.07Å
105T91.3Very high85.2Confident86 Ų8664.7 Ų64.753%0.52832%0.318SS..Hα-helixtrans-62-42.2179.5-56.60000111.4K101 A102 I103 G109K101-T105 WeakPolarHBondContact O-CB 3.05Å; K101-T105 PolarHBondContact O-N 3.18Å; K101-T105 PolarHBondContact O-OG1 3.05Å; A102-T105 PolarHBondContact O-N 2.91Å; I103-T105 VanDerWaalsContact C-N 3.33Å; I103-T105 PolarHBondContact O-N 2.88Å; T105-G109 PolarHBondContact O-N 3.47Å; T105-G109 VanDerWaalsContact O-N 3.07Å
106V90.1Very high83.3Confident13 Ų1368.7 Ų68.78%0.07934%0.336CS..Hα-helixtrans-67.1-45.6176.5174.60000110.9V7 L29 V57 A102 I103 Q104 E108 G109 L110V7-V106 HydrophobicContact CB-CG2 4.18Å; V7-V106 HydrophobicContact CG1-CG2 3.87Å; V7-V106 HydrophobicContact CG2-CG2 3.95Å; L29-V106 HydrophobicContact CD1-CG2 4.5Å; L29-V106 HydrophobicContact CD2-CG2 3.99Å; L29-V106 HydrophobicContact CG-CG2 4.22Å; V57-V106 HydrophobicContact CG2-CB 4.44Å; V57-V106 HydrophobicContact CG2-CG1 4.07Å; A102-V106 WeakPolarHBondContact O-CG2 3.22Å; A102-V106 PolarHBondContact O-N 3.43Å; A102-V106 VanDerWaalsContact O-N 3.11Å; I103-V106 PolarHBondContact O-N 2.76Å; Q104-V106 VanDerWaalsContact C-N 3.34Å; Q104-V106 PolarHBondContact O-N 3.28Å; V106-E108 PolarHBondContact O-N 3.41Å; V106-G109 PolarHBondContact O-N 3.2Å; V106-L110 HydrophobicContact CG1-CD1 4.1Å; V106-L110 WeakPolarHBondContact O-CG 3.37Å; V106-L110 PolarHBondContact O-N 3.06Å; V106-L110 VanDerWaalsContact O-N 3.14Å
107A86.6Confident81.2Confident8 Ų877.3 Ų77.37%0.06637%0.369CS..Hα-helixtrans-59.9-43.9179.300000112.6V57 I103 Q104 L110 H111V57-A107 VanDerWaalsContact O-CB 3.28Å; V57-A107 WeakPolarHBondContact O-CB 3.24Å; I103-A107 WeakPolarHBondContact O-CB 3.44Å; I103-A107 PolarHBondContact O-N 2.84Å; Q104-A107 PolarHBondContact O-N 2.94Å; A107-L110 PolarHBondContact O-N 3.36Å; A107-H111 PolarHBondContact O-N 3.14Å
108E86.1Confident78.6Confident98 Ų9880.8 Ų80.846%0.45839%0.387SS..Hα-helixtrans-67.6-36.7176.8-72.3173.3-172.800112.8Q104 V106 L110 H111 K112Q104-E108 HydrophobicContact CG-CG 4.49Å; Q104-E108 WeakPolarHBondContact CG-OE1 3.3Å; Q104-E108 PolarHBondContact NE2-OE1 3.44Å; Q104-E108 WeakPolarHBondContact O-CB 3.35Å; Q104-E108 WeakPolarHBondContact O-CG 3.45Å; Q104-E108 PolarHBondContact O-N 3.07Å; V106-E108 PolarHBondContact O-N 3.41Å; E108-L110 VanDerWaalsContact C-N 3.29Å; E108-L110 PolarHBondContact O-N 2.88Å; E108-H111 PolarHBondContact O-N 2.93Å; E108-K112 PolarHBondContact O-N 3.09Å
109G84.5Confident75.8Confident34 Ų3482.8 Ų82.835%0.35140%0.401SS..Hα-helixtrans-62.8-36.1176.200000112.8T105 V106T105-G109 PolarHBondContact O-N 3.47Å; T105-G109 VanDerWaalsContact O-N 3.07Å; V106-G109 PolarHBondContact O-N 3.2Å
110L81.9Confident72.8Confident26 Ų2687.2 Ų87.214%0.13643%0.434CS..Hα-helixtrans-73.1-38.1177.1-64.8167.6000112.2G33 A58 V106 A107 E108 K112 Q113 E114G33-L110 VanDerWaalsContact CA-CD1 3.49Å; A58-L110 HydrophobicContact CB-CD1 4.11Å; V106-L110 HydrophobicContact CG1-CD1 4.1Å; V106-L110 WeakPolarHBondContact O-CG 3.37Å; V106-L110 PolarHBondContact O-N 3.06Å; V106-L110 VanDerWaalsContact O-N 3.14Å; A107-L110 PolarHBondContact O-N 3.36Å; E108-L110 VanDerWaalsContact C-N 3.29Å; E108-L110 PolarHBondContact O-N 2.88Å; L110-K112 VanDerWaalsContact C-N 3.34Å; L110-K112 PolarHBondContact O-N 3.32Å; L110-Q113 PolarHBondContact O-N 3.38Å; L110-E114 PolarHBondContact O-N 3.1Å; L110-E114 VanDerWaalsContact O-N 3.15Å
111H75.9Confident70Confident86 Ų8692.4 Ų92.440%0.39847%0.47SS..Hα-helixtrans-59.9-43177.6-166.7-78.6000112.3A107 E108 Q113 E114 E115A107-H111 PolarHBondContact O-N 3.14Å; E108-H111 PolarHBondContact O-N 2.93Å; H111-Q113 VanDerWaalsContact C-N 3.32Å; H111-Q113 PolarHBondContact O-N 2.85Å; H111-E114 PolarHBondContact O-N 3.13Å; H111-E115 IonicContact CE1-OE1 2.89Å; H111-E115 PolarHBondContact CE1-OE1 3.27Å; H111-E115 IonicContact CE1-OE2 2.79Å; H111-E115 VanDerWaalsContact ND1-CD 3.33Å; H111-E115 IonicContact ND1-OE1 3.97Å; H111-E115 IonicContact ND1-OE2 3.8Å; H111-E115 PolarHBondContact ND1-OE2 3.21Å; H111-E115 PolarHBondContact O-N 2.83Å; H111-E115 VanDerWaalsContact O-N 3.08Å
112K69.1Low67.4Low132 Ų13291.6 Ų91.657%0.57448%0.48SS*.Hα-helixtrans-65-34.2177.9-69.8179-179176.40112.8E108 L110 E116E108-K112 PolarHBondContact O-N 3.09Å; L110-K112 VanDerWaalsContact C-N 3.34Å; L110-K112 PolarHBondContact O-N 3.32Å; K112-E116 WeakPolarHBondContact O-CB 3.41Å; K112-E116 WeakPolarHBondContact O-CG 3.43Å; K112-E116 PolarHBondContact O-N 3.38Å; K112-E116 VanDerWaalsContact O-N 3.16Å
113Q65.4Low64.3Low109 Ų10999.3 Ų99.351%0.50951%0.513SS..Hα-helixtrans-72.3-27.9176.3-72.4-178.35.800113.1L110 H111 R117L110-Q113 PolarHBondContact O-N 3.38Å; H111-Q113 VanDerWaalsContact C-N 3.32Å; H111-Q113 PolarHBondContact O-N 2.85Å; Q113-R117 WeakPolarHBondContact O-CG 3.38Å; Q113-R117 PolarHBondContact O-N 2.76Å
114E59.7Low61.6Low95 Ų95105.1 Ų105.144%0.44455%0.551SS.*Hα-helixtrans-75.7-41.5174.2-74.6-178.1158.100111.8Q59 L110 H111 E116 R117 M118Q59-E114 PolarHBondContact NE2-OE2 3.03Å; L110-E114 PolarHBondContact O-N 3.1Å; L110-E114 VanDerWaalsContact O-N 3.15Å; H111-E114 PolarHBondContact O-N 3.13Å; E114-E116 VanDerWaalsContact C-N 3.35Å; E114-E116 PolarHBondContact O-N 3.34Å; E114-R117 PolarHBondContact O-N 3.44Å; E114-M118 PolarHBondContact O-N 2.94Å
115E55.7Low58.5Low119 Ų119110.8 Ų110.856%0.55658%0.579SS**Hα-helixtrans-63.8-37.4175.8-73.5178141.500112.4H111 R117 M118H111-E115 IonicContact CE1-OE1 2.89Å; H111-E115 PolarHBondContact CE1-OE1 3.27Å; H111-E115 IonicContact CE1-OE2 2.79Å; H111-E115 VanDerWaalsContact ND1-CD 3.33Å; H111-E115 IonicContact ND1-OE1 3.97Å; H111-E115 IonicContact ND1-OE2 3.8Å; H111-E115 PolarHBondContact ND1-OE2 3.21Å; H111-E115 PolarHBondContact O-N 2.83Å; H111-E115 VanDerWaalsContact O-N 3.08Å; E115-R117 VanDerWaalsContact C-N 3.3Å; E115-R117 PolarHBondContact O-N 2.84Å; E115-M118 PolarHBondContact O-N 2.86Å
116E53.1Low55.7Low160 Ų160114.8 Ų114.875%0.74860%0.597SS**THydrogen-bonded Turntrans-73.2-16.9176.6-73.1175.1179.800113.8K112 E114K112-E116 WeakPolarHBondContact O-CB 3.41Å; K112-E116 WeakPolarHBondContact O-CG 3.43Å; K112-E116 PolarHBondContact O-N 3.38Å; K112-E116 VanDerWaalsContact O-N 3.16Å; E114-E116 VanDerWaalsContact C-N 3.35Å; E114-E116 PolarHBondContact O-N 3.34Å
117R51.8Low52.9Low207 Ų207122.7 Ų122.778%0.78164%0.636SS**THydrogen-bonded Turntrans-90.2-14.5176.1-83.1-178.7175.5179.91.8113.9Q113 E114 E115Q113-R117 WeakPolarHBondContact O-CG 3.38Å; Q113-R117 PolarHBondContact O-N 2.76Å; E114-R117 PolarHBondContact O-N 3.44Å; E115-R117 VanDerWaalsContact C-N 3.3Å; E115-R117 PolarHBondContact O-N 2.84Å
118M41.8Very low50.1Low169 Ų169130.2 Ų130.283%0.83367%0.67SS**SBendtrans-87.54.3-176.5-99.3174.664.900114.9E114 E115E114-M118 PolarHBondContact O-N 2.94Å; E115-M118 PolarHBondContact O-N 2.86Å
119D37.1Very low47.4Very low152 Ų152131.2 Ų131.281%0.81368%0.682SS**SBendtrans-106.534.2179.6-163.424.2000114.2
120S32.3Very low44.8Very low102 Ų102139.3 Ų139.371%0.71370%0.704SS**  trans-143.992.2168.857.80000112.4
121S36.3Very low42.3Very low115 Ų115145.8 Ų145.880%0.80474%0.737SS**  trans-74.4154.4164.9-39.70000110.4
122P38.9Very low40.2Very low126 Ų126147.7 Ų147.782%0.81876%0.755SS**  -141.9144.6103.629.8-12000116.1
123E29.8Very low38.3Very low180 Ų180150.6 Ų150.684%0.84177%0.768SS**  trans27.9150.6151-65.9-156.5171.600125.5
124P35.6Very low36.8Very low122 Ų122151.8 Ų151.879%0.79279%0.785SS**  trans-87136.3-176.335.2-30.9000112.7
125M26.5Very low36.3Very low188 Ų188156.5 Ų156.593%0.92680%0.799SS**  trans-117.7138.1166.1-91-175.6176.900111.4
126D31.6Very low36.4Very low169 Ų169158.2 Ų158.290%0.90481%0.807SS**  trans-49.6136.6-177.7-66.9-52.3000114.1
127M30.7Very low37.6Very low179 Ų179156.7 Ų156.788%0.88280%0.797SS**  trans-109.8102173.1-154.6175.4-65.400109.5
128E27.9Very low39.3Very low167 Ų167148.1 Ų148.178%0.7877%0.768SS**  trans-59.5131.9171-81.4-178.1142.600111.4Y130E128-Y130 PolarHBondContact O-N 2.87Å
129V29.5Very low41.7Very low119 Ų119142.4 Ų142.472%0.72174%0.743SS**  trans-76.2111.8178.1177.20000109.7L131V129-L131 HydrophobicContact CG1-CD2 4.37Å; V129-L131 HydrophobicContact CG1-CG 4.14Å; V129-L131 PolarHBondContact O-N 2.84Å; V129-L131 VanDerWaalsContact O-N 3.13Å
130Y29.5Very low44.3Very low204 Ų204135.9 Ų135.980%0.871%0.707SS**  trans-75.497.5161.2-74-84.7000109.4E128 T132E128-Y130 PolarHBondContact O-N 2.87Å; Y130-T132 PolarHBondContact O-N 3.37Å
131L30Very low47.1Very low161 Ų161136.4 Ų136.484%0.84370%0.698SS**  trans-65.493.2167.6-75.2163.2000110V129V129-L131 HydrophobicContact CG1-CD2 4.37Å; V129-L131 HydrophobicContact CG1-CG 4.14Å; V129-L131 PolarHBondContact O-N 2.84Å; V129-L131 VanDerWaalsContact O-N 3.13Å
132T31.5Very low49.8Very low127 Ų127133.1 Ų133.178%0.77967%0.672SS**  trans-79.1126.7156.853.70000108.8Y130Y130-T132 PolarHBondContact O-N 3.37Å
133K28.9Very low52.5Low192 Ų192127.2 Ų127.284%0.83563%0.633SS**  trans-38.5143-178.7-68177.1176.81780113.4R135K133-R135 PolarHBondContact O-N 2.78Å
134P33.6Very low55.6Low134 Ų134123 Ų12387%0.8761%0.614SS**  trans-64105.3-179.126.6-32.3000109.8
135R49.3Very low58.3Low195 Ų195120 Ų12074%0.73659%0.587SS**  trans-70.2135.2158.2-77.3179.7163.5174.4-6106.6K133 K137K133-R135 PolarHBondContact O-N 2.78Å; R135-K137 PolarHBondContact O-N 3.29Å
136H58.5Low61.4Low155 Ų155113.9 Ų113.972%0.71856%0.557SS**  trans-49.9114176.4-165.5-68.3000109.3V138H136-V138 PolarHBondContact O-N 3.22Å
137K78.4Confident64.2Low128 Ų128108.7 Ų108.756%0.55753%0.527SS*.  trans-72.8115.1-179.5-166.1179.7-176-174.10107.2R135 E452R135-K137 PolarHBondContact O-N 3.29Å; K137-E452 IonicContact NZ-OE1 2.79Å; K137-E452 PolarHBondContact NZ-OE1 3.42Å; K137-E452 IonicContact NZ-OE2 3.93Å; K137-E452 PolarHBondContact NZ-OE2 3.01Å
138V87.8Confident66.9Low26 Ų26100.7 Ų100.716%0.15849%0.488CS..  trans-74.7135.3178.1175.30000108.9H136 D142 F143 Y208 F210H136-V138 PolarHBondContact O-N 3.22Å; V138-D142 WeakPolarHBondContact CA-OD2 3.31Å; V138-F143 HydrophobicContact CG1-CE2 3.47Å; V138-F143 VanDerWaalsContact CG1-CE2 3.47Å; V138-F143 HydrophobicContact CG1-CZ 3.73Å; V138-Y208 HydrophobicContact CG1-CD2 4.3Å; V138-Y208 HydrophobicContact CG1-CG 4.23Å; V138-Y208 HydrophobicContact CG2-CD1 3.97Å; V138-Y208 HydrophobicContact CG2-CE1 4.03Å; V138-Y208 HydrophobicContact CG2-CG 4.43Å; V138-F210 HydrophobicContact CG1-CD1 4.29Å; V138-F210 HydrophobicContact CG1-CE1 4.22Å
139T91.8Very high69.7Low50 Ų5093.5 Ų93.531%0.30745%0.454SS..  trans-130.4172.6-177.271.50000111.4H141 D142 F143T139-H141 PolarHBondContact O-N 2.9Å; T139-H141 VanDerWaalsContact O-N 3.13Å; T139-H141 PolarHBondContact OG1-N 2.96Å; T139-D142 PolarHBondContact N-OD2 3.33Å; T139-D142 PolarHBondContact O-N 3.32Å; T139-D142 PolarHBondContact OG1-OD2 2.7Å; T139-F143 WeakPolarHBondContact O-CD2 3.32Å; T139-F143 WeakPolarHBondContact O-CE2 3.4Å
140M91.2Very high72.2Confident15 Ų1588.6 Ų88.67%0.07443%0.428CS..G310 helixtrans-58-23.2172.8-66.8-61.3-81.700113.4D142 Y145 M171 I173 F210 T212 C217 I442M140-D142 VanDerWaalsContact C-N 3.34Å; M140-Y145 WeakPolarHBondContact CA-OH 3.41Å; M140-Y145 WeakPolarHBondContact CB-OH 3.48Å; M140-Y145 HydrophobicContact CE-CE1 4.01Å; M140-Y145 WeakPolarHBondContact CE-OH 3.38Å; M140-Y145 PolarHBondContact O-OH 2.86Å; M140-M171 HydrophobicContact CE-SD 4.05Å; M140-M171 HydrophobicContact SD-CE 4.45Å; M140-M171 HydrophobicContact SD-SD 3.83Å; M140-I173 HydrophobicContact CE-CD1 3.8Å; M140-I173 HydrophobicContact CE-CG1 4.46Å; M140-F210 HydrophobicContact CG-CE2 3.83Å; M140-F210 HydrophobicContact CG-CZ 4.29Å; M140-F210 HydrophobicContact SD-CE2 3.57Å; M140-F210 VanDerWaalsContact SD-CE2 3.57Å; M140-F210 HydrophobicContact SD-CZ 3.6Å; M140-T212 HydrophobicContact CG-CG2 3.93Å; M140-C217 PolarHBondContact SD-SG 2.79Å; M140-I442 HydrophobicContact CE-CG2 4.45Å
141H92.3Very high74.4Confident112 Ų11285.9 Ų85.952%0.51942%0.42SS..G310 helixtrans-78.8-17.1-177.6-66.5-66.5000113.7T139 F143 K163T139-H141 PolarHBondContact O-N 2.9Å; T139-H141 VanDerWaalsContact O-N 3.13Å; T139-H141 PolarHBondContact OG1-N 2.96Å; H141-F143 PolarHBondContact O-N 2.79Å; H141-K163 WeakPolarHBondContact O-CD 3.46Å; H141-K163 WeakPolarHBondContact O-CE 3.31Å; H141-K163 PolarHBondContact O-NZ 3.02Å
142D93.1Very high76.2Confident47 Ų4780.7 Ų80.725%0.25141%0.405SS..G310 helixtrans-76-5.6179.8-60.9-47.2000112.9V138 T139 M140 K163V138-D142 WeakPolarHBondContact CA-OD2 3.31Å; T139-D142 PolarHBondContact N-OD2 3.33Å; T139-D142 PolarHBondContact O-N 3.32Å; T139-D142 PolarHBondContact OG1-OD2 2.7Å; M140-D142 VanDerWaalsContact C-N 3.34Å; D142-K163 WeakPolarHBondContact O-CB 3.42Å; D142-K163 WeakPolarHBondContact O-CG 3.14Å; D142-K163 PolarHBondContact O-N 3.25Å
143F95.1Very high78Confident2 Ų279.1 Ų79.11%0.00940%0.396CS..EExtended strand (participates in β ladder)trans-118.7141.8-174.9-59-84.1000112.4V138 T139 H141 V160 K161 E162 K163 M171 Y208 F210 V219V138-F143 HydrophobicContact CG1-CE2 3.47Å; V138-F143 VanDerWaalsContact CG1-CE2 3.47Å; V138-F143 HydrophobicContact CG1-CZ 3.73Å; T139-F143 WeakPolarHBondContact O-CD2 3.32Å; T139-F143 WeakPolarHBondContact O-CE2 3.4Å; H141-F143 PolarHBondContact O-N 2.79Å; F143-V160 HydrophobicContact CB-CB 4.14Å; F143-V160 HydrophobicContact CB-CG1 4.48Å; F143-V160 HydrophobicContact CD1-CB 4.26Å; F143-V160 HydrophobicContact CD1-CG2 3.83Å; F143-V160 HydrophobicContact CG-CG2 4.41Å; F143-K161 CarbonylContact C-O 3.58Å; F143-K161 WeakPolarHBondContact CA-O 3.36Å; F143-E162 HydrophobicContact CD1-CB 4.17Å; F143-E162 HydrophobicContact CE1-CB 3.98Å; F143-E162 HydrophobicContact CE1-CG 4.34Å; F143-K163 WeakPolarHBondContact O-CE 3.38Å; F143-M171 HydrophobicContact CB-CE 4.01Å; F143-M171 HydrophobicContact CD1-CE 4.08Å; F143-M171 HydrophobicContact CD2-CE 3.36Å; F143-M171 HydrophobicContact CE1-CE 4.45Å; F143-M171 HydrophobicContact CE2-CE 3.79Å; F143-M171 HydrophobicContact CG-CE 3.52Å; F143-M171 HydrophobicContact CZ-CE 4.34Å; F143-Y208 HydrophobicContact CE1-CD2 4.3Å; F143-Y208 HydrophobicContact CE1-CE2 4.28Å; F143-Y208 AromaticContact CZ-CD2 3.7Å; F143-Y208 HydrophobicContact CZ-CD2 3.7Å; F143-Y208 AromaticContact CZ-CE2 3.92Å; F143-Y208 HydrophobicContact CZ-CE2 3.92Å; F143-F210 HydrophobicContact CE2-CE1 4.13Å; F143-F210 HydrophobicContact CE2-CZ 4.43Å; F143-V219 HydrophobicContact CE1-CG1 3.99Å; F143-V219 HydrophobicContact CE1-CG2 4.34Å; F143-V219 HydrophobicContact CE2-CG2 4.29Å; F143-V219 HydrophobicContact CZ-CG1 4.24Å; F143-V219 HydrophobicContact CZ-CG2 3.9Å
144E94.4Very high80.1Confident92 Ų9273 Ų7343%0.4337%0.369SS..EExtended strand (participates in β ladder)trans-93.5131.4163.7-177.5-175.3179.700108.7L146 V160 K161E144-L146 HydrophobicContact CG-CD2 3.86Å; E144-V160 CarbonylContact O-C 3.43Å; E144-V160 WeakPolarHBondContact O-CA 3.35Å; E144-V160 WeakPolarHBondContact O-CB 3.42Å; E144-K161 HydrophobicContact CB-CB 4.32Å; E144-K161 PolarHBondContact N-O 3.13Å; E144-K161 PolarHBondContact O-N 3.22Å
145Y93.8Very high82.3Confident59 Ų5967.4 Ų67.423%0.23134%0.336CS..EExtended strand (participates in β ladder)trans-98.5121.3-177.1-57.1-89000110M140 I158 V160 M171 I173 I442M140-Y145 WeakPolarHBondContact CA-OH 3.41Å; M140-Y145 WeakPolarHBondContact CB-OH 3.48Å; M140-Y145 HydrophobicContact CE-CE1 4.01Å; M140-Y145 WeakPolarHBondContact CE-OH 3.38Å; M140-Y145 PolarHBondContact O-OH 2.86Å; Y145-I158 HydrophobicContact CD1-CD1 4.3Å; Y145-I158 HydrophobicContact CD1-CG2 4.11Å; Y145-V160 HydrophobicContact CD1-CG1 3.54Å; Y145-V160 HydrophobicContact CE1-CG1 3.92Å; Y145-V160 HydrophobicContact CG-CG1 4.36Å; Y145-M171 HydrophobicContact CE1-CE 4.43Å; Y145-M171 HydrophobicContact CE1-SD 3.94Å; Y145-I173 HydrophobicContact CE1-CD1 4.47Å; Y145-I442 HydrophobicContact CD1-CD1 3.09Å; Y145-I442 HydrophobicContact CD2-CD1 3.63Å; Y145-I442 HydrophobicContact CE1-CD1 3.15Å; Y145-I442 HydrophobicContact CE2-CD1 3.73Å; Y145-I442 HydrophobicContact CG-CD1 3.33Å; Y145-I442 VanDerWaalsContact CZ-CD1 3.49Å
146L90.8Very high84.1Confident58 Ų5860.3 Ų60.330%0.30431%0.311SS..EExtended strand (participates in β ladder)trans-109.4-58.1-166-59.6174.4000112.9E144 L159 K161 Y168 T426 I440E144-L146 HydrophobicContact CG-CD2 3.86Å; L146-L159 HydrophobicContact CB-CD2 4.38Å; L146-L159 HydrophobicContact CB-CG 4.22Å; L146-L159 WeakPolarHBondContact CB-O 3.41Å; L146-L159 HydrophobicContact CD1-CD2 4.49Å; L146-L159 HydrophobicContact CD1-CG 4.24Å; L146-L159 PolarHBondContact N-O 3.02Å; L146-K161 HydrophobicContact CD1-CB 3.85Å; L146-Y168 HydrophobicContact CD1-CD1 3.6Å; L146-Y168 HydrophobicContact CD1-CE1 3.39Å; L146-T426 HydrophobicContact CD1-CG2 4.34Å; L146-I440 WeakPolarHBondContact O-CD1 3.35Å
147K89.6Confident85.6Confident60 Ų6054.9 Ų54.926%0.26129%0.288SS..EExtended strand (participates in β ladder)trans-141.1139.9-177.6-129.1175.7-168.4-148.10112.2L149 I158 L159 T428 T436K147-L149 PolarHBondContact O-N 3.18Å; K147-I158 CarbonylContact O-C 3.46Å; K147-I158 WeakPolarHBondContact O-CA 3.47Å; K147-I158 WeakPolarHBondContact O-CG2 3.22Å; K147-L159 HydrophobicContact CB-CB 4.23Å; K147-L159 HydrophobicContact CB-CD2 4.44Å; K147-L159 PolarHBondContact N-O 3.18Å; K147-L159 PolarHBondContact O-N 2.94Å; K147-T428 HydrophobicContact CB-CG2 4.37Å; K147-T428 HydrophobicContact CD-CG2 3.61Å; K147-T428 WeakPolarHBondContact CD-OG1 3.38Å; K147-T428 WeakPolarHBondContact CE-OG1 3.39Å; K147-T428 PolarHBondContact NZ-OG1 3.32Å; K147-T436 HydrophobicContact CD-CG2 4.05Å; K147-T436 VanDerWaalsContact CE-CB 3.43Å; K147-T436 WeakPolarHBondContact CE-O 3.43Å; K147-T436 PolarHBondContact NZ-OG1 2.82Å
148L88.9Confident86.2Confident12 Ų1248.8 Ų48.86%0.06326%0.262CS..EExtended strand (participates in β ladder)trans-72.4121.4166.9179.570.7000108.2G150 K156 I158 F435 T436 Q438L148-G150 WeakPolarHBondContact CD1-O 3.45Å; L148-K156 HydrophobicContact CD1-CB 3.84Å; L148-K156 HydrophobicContact CD1-CD 4.36Å; L148-I158 HydrophobicContact CD1-CG1 4.25Å; L148-F435 HydrophobicContact CD2-CB 4.28Å; L148-F435 HydrophobicContact CD2-CD1 4.5Å; L148-F435 HydrophobicContact CG-CB 4.26Å; L148-F435 CarbonylContact O-C 3.37Å; L148-T436 WeakPolarHBondContact O-CA 3.3Å; L148-Q438 HydrophobicContact CD2-CB 4.11Å; L148-Q438 HydrophobicContact CD2-CG 4.49Å
149L85.4Confident86.5Confident15 Ų1547.7 Ų47.78%0.07926%0.255CS..EExtended strand (participates in β ladder)trans-93.5-32.4-179.6-62.7177.6000111.9K147 V157 L159 A170 Y222 T428 F431K147-L149 PolarHBondContact O-N 3.18Å; L149-V157 HydrophobicContact CB-CB 4.48Å; L149-V157 HydrophobicContact CB-CG1 4.29Å; L149-V157 HydrophobicContact CD1-CG1 4.28Å; L149-V157 PolarHBondContact N-O 3.35Å; L149-L159 HydrophobicContact CD1-CB 3.92Å; L149-L159 HydrophobicContact CD2-CB 3.94Å; L149-L159 HydrophobicContact CG-CB 3.89Å; L149-A170 HydrophobicContact CD1-CB 4.24Å; L149-Y222 HydrophobicContact CD1-CD2 3.87Å; L149-Y222 HydrophobicContact CD1-CE2 3.46Å; L149-Y222 VanDerWaalsContact CD1-CE2 3.46Å; L149-Y222 HydrophobicContact CD2-CE2 4.08Å; L149-Y222 HydrophobicContact CG-CE2 4.42Å; L149-T428 HydrophobicContact CD2-CG2 4.06Å; L149-F431 HydrophobicContact CB-CD1 4.05Å; L149-F431 HydrophobicContact CB-CE1 4.09Å; L149-F431 HydrophobicContact CD1-CE1 4.33Å; L149-F431 HydrophobicContact CD2-CD1 3.73Å; L149-F431 HydrophobicContact CD2-CD2 4.21Å; L149-F431 HydrophobicContact CD2-CE1 3.77Å; L149-F431 HydrophobicContact CD2-CE2 4.26Å; L149-F431 HydrophobicContact CD2-CG 3.96Å; L149-F431 HydrophobicContact CD2-CZ 4.05Å; L149-F431 HydrophobicContact CG-CD1 4.42Å; L149-F431 HydrophobicContact CG-CE1 4.27Å
150G82.1Confident86.6Confident16 Ų1645.3 Ų45.317%0.16524%0.24CC..EExtended strand (participates in β ladder)trans-171.1161.9179.300000112.6L148 K156 V157L148-G150 WeakPolarHBondContact CD1-O 3.45Å; G150-K156 WeakPolarHBondContact O-CA 3.16Å; G150-V157 PolarHBondContact N-O 3.48Å; G150-V157 PolarHBondContact O-N 3.36Å
151K76.6Confident86.8Confident148 Ų14847.4 Ų47.464%0.64325%0.249SC*.EExtended strand (participates in β ladder)trans-134.2121.6178.6-172.5179.9177-174.60109.4F435K151-F435 HydrophobicContact CB-CD1 4.38Å; K151-F435 HydrophobicContact CB-CE1 4.24Å
152G68.3Low87Confident51 Ų5142.8 Ų42.853%0.52623%0.228SC..  trans-111-179.117800000112.2F154 G155G152-F154 VanDerWaalsContact C-N 3.26Å; G152-F154 PolarHBondContact O-N 2.96Å; G152-G155 PolarHBondContact N-O 3.33Å; G152-G155 PolarHBondContact O-N 3.41Å; G152-G155 VanDerWaalsContact O-O 3.08Å
153T67.9Low87Confident95 Ų9546.7 Ų46.758%0.58324%0.243SC*.SBendtrans-59-36.1178.9-52.40000113.2K182T153-K182 HydrophobicContact CG2-CD 4.04Å
154F72.8Confident86.9Confident62 Ų6251.2 Ų51.227%0.27228%0.28SS..SBendtrans-99-12.6-172.2-54.3-74000113.8G152 L174 K175 V178 K182 E184G152-F154 VanDerWaalsContact C-N 3.26Å; G152-F154 PolarHBondContact O-N 2.96Å; F154-L174 HydrophobicContact CB-CD2 4.04Å; F154-K175 PolarHBondContact O-N 3.3Å; F154-V178 HydrophobicContact CD1-CG1 4.05Å; F154-K182 HydrophobicContact CD1-CD 4.11Å; F154-K182 HydrophobicContact CE1-CB 3.83Å; F154-K182 HydrophobicContact CE1-CD 3.37Å; F154-K182 HydrophobicContact CE1-CG 4.17Å; F154-K182 HydrophobicContact CZ-CD 4.08Å; F154-E184 HydrophobicContact CE1-CB 4.11Å; F154-E184 HydrophobicContact CE1-CG 3.58Å; F154-E184 HydrophobicContact CZ-CB 4.45Å; F154-E184 HydrophobicContact CZ-CG 3.62Å
155G81.1Confident86.9Confident17 Ų1750.4 Ų50.418%0.17528%0.281CS..EExtended strand (participates in β ladder)trans173.5-162.9-16600000114.9G152 I173G152-G155 PolarHBondContact N-O 3.33Å; G152-G155 PolarHBondContact O-N 3.41Å; G152-G155 VanDerWaalsContact O-O 3.08Å; G155-I173 CarbonylContact C-O 3.59Å; G155-I173 WeakPolarHBondContact CA-O 3.42Å
156K86.5Confident86.7Confident47 Ų4748.9 Ų48.920%0.20428%0.284CS..EExtended strand (participates in β ladder)trans-136151.4-178.655.6-178.6175.31730110.8L148 G150 I158 I173 T441L148-K156 HydrophobicContact CD1-CB 3.84Å; L148-K156 HydrophobicContact CD1-CD 4.36Å; G150-K156 WeakPolarHBondContact O-CA 3.16Å; K156-I158 HydrophobicContact CD-CD1 3.88Å; K156-I158 HydrophobicContact CD-CG1 4.26Å; K156-I158 HydrophobicContact CG-CD1 4.24Å; K156-I158 HydrophobicContact CG-CG1 4.25Å; K156-I173 HydrophobicContact CG-CB 4.35Å; K156-I173 PolarHBondContact N-O 3.46Å; K156-I173 PolarHBondContact O-N 2.93Å; K156-T441 PolarHBondContact NZ-O 3.12Å
157V89.4Confident86.8Confident41 Ų4152.4 Ų52.425%0.24829%0.293CS..EExtended strand (participates in β ladder)trans-111.2124.6173.7-174.50000108.1L149 G150 A170 M171 K172L149-V157 HydrophobicContact CB-CB 4.48Å; L149-V157 HydrophobicContact CB-CG1 4.29Å; L149-V157 HydrophobicContact CD1-CG1 4.28Å; L149-V157 PolarHBondContact N-O 3.35Å; G150-V157 PolarHBondContact N-O 3.48Å; G150-V157 PolarHBondContact O-N 3.36Å; V157-A170 HydrophobicContact CG1-CB 4.08Å; V157-M171 WeakPolarHBondContact CA-O 3.41Å; V157-K172 HydrophobicContact CG2-CB 4.3Å; V157-K172 HydrophobicContact CG2-CG 4.17Å
158I91.7Very high87Confident0 Ų052.2 Ų52.20%029%0.291CS..EExtended strand (participates in β ladder)trans-122.6133.5-175.8-52.5-178.5000109.2Y145 K147 L148 K156 V160 M171 I173 I440 I442Y145-I158 HydrophobicContact CD1-CD1 4.3Å; Y145-I158 HydrophobicContact CD1-CG2 4.11Å; K147-I158 CarbonylContact O-C 3.46Å; K147-I158 WeakPolarHBondContact O-CA 3.47Å; K147-I158 WeakPolarHBondContact O-CG2 3.22Å; L148-I158 HydrophobicContact CD1-CG1 4.25Å; K156-I158 HydrophobicContact CD-CD1 3.88Å; K156-I158 HydrophobicContact CD-CG1 4.26Å; K156-I158 HydrophobicContact CG-CD1 4.24Å; K156-I158 HydrophobicContact CG-CG1 4.25Å; I158-V160 HydrophobicContact CB-CG1 4.37Å; I158-V160 HydrophobicContact CG2-CG1 4.17Å; I158-V160 PolarHBondContact O-N 3.27Å; I158-M171 PolarHBondContact N-O 2.99Å; I158-M171 PolarHBondContact O-N 3.48Å; I158-I173 HydrophobicContact CD1-CD1 3.72Å; I158-I173 HydrophobicContact CG1-CD1 4.33Å; I158-I440 HydrophobicContact CD1-CG2 4.09Å; I158-I440 HydrophobicContact CG2-CD1 3.92Å; I158-I442 HydrophobicContact CD1-CD1 3.99Å; I158-I442 HydrophobicContact CD1-CG1 4.22Å
159L93.7Very high87.2Confident2 Ų252.4 Ų52.41%0.0129%0.291CS..EExtended strand (participates in β ladder)trans-67.6119.5164.8177.859.4000108.7L146 K147 L149 Y168 Y222 T428L146-L159 HydrophobicContact CB-CD2 4.38Å; L146-L159 HydrophobicContact CB-CG 4.22Å; L146-L159 WeakPolarHBondContact CB-O 3.41Å; L146-L159 HydrophobicContact CD1-CD2 4.49Å; L146-L159 HydrophobicContact CD1-CG 4.24Å; L146-L159 PolarHBondContact N-O 3.02Å; K147-L159 HydrophobicContact CB-CB 4.23Å; K147-L159 HydrophobicContact CB-CD2 4.44Å; K147-L159 PolarHBondContact N-O 3.18Å; K147-L159 PolarHBondContact O-N 2.94Å; L149-L159 HydrophobicContact CD1-CB 3.92Å; L149-L159 HydrophobicContact CD2-CB 3.94Å; L149-L159 HydrophobicContact CG-CB 3.89Å; L159-Y168 HydrophobicContact CD1-CD1 4.42Å; L159-Y222 HydrophobicContact CD1-CD1 3.54Å; L159-Y222 HydrophobicContact CD1-CD2 4.16Å; L159-Y222 HydrophobicContact CD1-CE1 3.53Å; L159-Y222 HydrophobicContact CD1-CE2 4.18Å; L159-Y222 HydrophobicContact CD1-CG 3.86Å; L159-Y222 HydrophobicContact CD2-CE1 4.21Å; L159-Y222 HydrophobicContact CG-CE1 4.49Å; L159-T428 HydrophobicContact CD2-CG2 4.04Å
160V95Very high87.6Confident0 Ų052.1 Ų52.10%029%0.291CS..EExtended strand (participates in β ladder)trans-122.7154.3179.5-61.70000111F143 E144 Y145 I158 Y168 Y169 M171F143-V160 HydrophobicContact CB-CB 4.14Å; F143-V160 HydrophobicContact CB-CG1 4.48Å; F143-V160 HydrophobicContact CD1-CB 4.26Å; F143-V160 HydrophobicContact CD1-CG2 3.83Å; F143-V160 HydrophobicContact CG-CG2 4.41Å; E144-V160 CarbonylContact O-C 3.43Å; E144-V160 WeakPolarHBondContact O-CA 3.35Å; E144-V160 WeakPolarHBondContact O-CB 3.42Å; Y145-V160 HydrophobicContact CD1-CG1 3.54Å; Y145-V160 HydrophobicContact CE1-CG1 3.92Å; Y145-V160 HydrophobicContact CG-CG1 4.36Å; I158-V160 HydrophobicContact CB-CG1 4.37Å; I158-V160 HydrophobicContact CG2-CG1 4.17Å; I158-V160 PolarHBondContact O-N 3.27Å; V160-Y168 CarbonylContact O-C 3.48Å; V160-Y168 WeakPolarHBondContact O-CA 3.32Å; V160-Y169 WeakPolarHBondContact CG2-O 3.35Å; V160-Y169 PolarHBondContact N-O 3.35Å; V160-Y169 PolarHBondContact O-N 2.76Å; V160-M171 HydrophobicContact CG1-CB 3.8Å; V160-M171 HydrophobicContact CG1-CE 4.24Å; V160-M171 HydrophobicContact CG1-SD 4.41Å; V160-M171 HydrophobicContact CG2-CB 3.91Å; V160-M171 HydrophobicContact CG2-CE 4.26Å
161K95Very high88.1Confident59 Ų5951.4 Ų51.426%0.25728%0.284SS..EExtended strand (participates in β ladder)trans-115.5124.2169.5179.4-178.9-176.71790109.4F143 E144 L146 K163 G166 R167 Y168F143-K161 CarbonylContact C-O 3.58Å; F143-K161 WeakPolarHBondContact CA-O 3.36Å; E144-K161 HydrophobicContact CB-CB 4.32Å; E144-K161 PolarHBondContact N-O 3.13Å; E144-K161 PolarHBondContact O-N 3.22Å; L146-K161 HydrophobicContact CD1-CB 3.85Å; K161-K163 PolarHBondContact O-N 2.75Å; K161-G166 VanDerWaalsContact CE-CA 3.46Å; K161-G166 WeakPolarHBondContact CE-O 3.37Å; K161-R167 WeakPolarHBondContact CA-O 3.29Å; K161-Y168 HydrophobicContact CB-CD1 3.96Å; K161-Y168 HydrophobicContact CB-CE1 3.91Å; K161-Y168 HydrophobicContact CD-CE1 3.88Å; K161-Y168 HydrophobicContact CG-CD1 4.36Å; K161-Y168 HydrophobicContact CG-CE1 4.07Å
162E95.5Very high88.8Confident15 Ų1545.8 Ų45.87%0.0726%0.259CS..EExtended strand (participates in β ladder)trans-68.9119.3173.6177.5176.1-141.800109.2F143 A164 T165 G166 R167 Y169 Y208F143-E162 HydrophobicContact CD1-CB 4.17Å; F143-E162 HydrophobicContact CE1-CB 3.98Å; F143-E162 HydrophobicContact CE1-CG 4.34Å; E162-A164 VanDerWaalsContact C-N 3.28Å; E162-A164 PolarHBondContact O-N 3.43Å; E162-T165 HydrophobicContact CG-CG2 4.32Å; E162-T165 PolarHBondContact O-N 2.88Å; E162-T165 WeakPolarHBondContact OE2-CB 3.46Å; E162-T165 VanDerWaalsContact OE2-CG2 3.26Å; E162-T165 WeakPolarHBondContact OE2-CG2 3.39Å; E162-T165 PolarHBondContact OE2-OG1 2.9Å; E162-G166 VanDerWaalsContact O-CA 3.28Å; E162-G166 WeakPolarHBondContact O-CA 3.45Å; E162-G166 PolarHBondContact O-N 3.19Å; E162-R167 PolarHBondContact N-O 2.76Å; E162-Y169 HydrophobicContact CB-CD2 4.18Å; E162-Y169 HydrophobicContact CB-CE2 3.75Å; E162-Y169 WeakPolarHBondContact OE2-CE2 3.44Å; E162-Y169 PolarHBondContact OE2-OH 2.89Å; E162-Y208 WeakPolarHBondContact OE1-CE2 3.3Å; E162-Y208 VanDerWaalsContact OE1-CZ 3.31Å; E162-Y208 PolarHBondContact OE1-OH 3.27Å
163K94.4Very high89.8Confident130 Ų13043.5 Ų43.557%0.56524%0.235SC*.THydrogen-bonded Turntrans-62.1-37-172.9-68.9174.9-179.1171.60112.5H141 D142 F143 K161H141-K163 WeakPolarHBondContact O-CD 3.46Å; H141-K163 WeakPolarHBondContact O-CE 3.31Å; H141-K163 PolarHBondContact O-NZ 3.02Å; D142-K163 WeakPolarHBondContact O-CB 3.42Å; D142-K163 WeakPolarHBondContact O-CG 3.14Å; D142-K163 PolarHBondContact O-N 3.25Å; F143-K163 WeakPolarHBondContact O-CE 3.38Å; K161-K163 PolarHBondContact O-N 2.75Å
164A92.7Very high90.7Very high96 Ų9639.5 Ų39.579%0.79321%0.21SC*.THydrogen-bonded Turntrans-70.5-37.2-176.300000113.2E162E162-A164 VanDerWaalsContact C-N 3.28Å; E162-A164 PolarHBondContact O-N 3.43Å
165T92.8Very high91.2Very high75 Ų7541.7 Ų41.746%0.4622%0.219SC..THydrogen-bonded Turntrans-109.2-17.8-172.767.80000113.2E162 R167E162-T165 HydrophobicContact CG-CG2 4.32Å; E162-T165 PolarHBondContact O-N 2.88Å; E162-T165 WeakPolarHBondContact OE2-CB 3.46Å; E162-T165 VanDerWaalsContact OE2-CG2 3.26Å; E162-T165 WeakPolarHBondContact OE2-CG2 3.39Å; E162-T165 PolarHBondContact OE2-OG1 2.9Å; T165-R167 PolarHBondContact O-N 3.16Å; T165-R167 WeakPolarHBondContact OG1-CB 3.42Å; T165-R167 PolarHBondContact OG1-N 3.35Å
166G91.4Very high91.2Very high28 Ų2841.2 Ų41.229%0.28921%0.213SC..  trans71.84-171.500000114.7K161 E162K161-G166 VanDerWaalsContact CE-CA 3.46Å; K161-G166 WeakPolarHBondContact CE-O 3.37Å; E162-G166 VanDerWaalsContact O-CA 3.28Å; E162-G166 WeakPolarHBondContact O-CA 3.45Å; E162-G166 PolarHBondContact O-N 3.19Å
167R92.2Very high90.8Very high132 Ų13243 Ų4350%0.49822%0.222SC..  trans-76.9147.1-178.7-66.5-176.6-179.8-173.31.4111.8K161 E162 T165 Y169K161-R167 WeakPolarHBondContact CA-O 3.29Å; E162-R167 PolarHBondContact N-O 2.76Å; T165-R167 PolarHBondContact O-N 3.16Å; T165-R167 WeakPolarHBondContact OG1-CB 3.42Å; T165-R167 PolarHBondContact OG1-N 3.35Å; R167-Y169 HydrophobicContact CB-CE2 3.72Å
168Y93Very high90.1Very high56 Ų5643 Ų4322%0.2222%0.221CC..EExtended strand (participates in β ladder)trans-96.8141.5-179.4-60.8-88.7000112L146 L159 V160 K161 E425 T426L146-Y168 HydrophobicContact CD1-CD1 3.6Å; L146-Y168 HydrophobicContact CD1-CE1 3.39Å; L159-Y168 HydrophobicContact CD1-CD1 4.42Å; V160-Y168 CarbonylContact O-C 3.48Å; V160-Y168 WeakPolarHBondContact O-CA 3.32Å; K161-Y168 HydrophobicContact CB-CD1 3.96Å; K161-Y168 HydrophobicContact CB-CE1 3.91Å; K161-Y168 HydrophobicContact CD-CE1 3.88Å; K161-Y168 HydrophobicContact CG-CD1 4.36Å; K161-Y168 HydrophobicContact CG-CE1 4.07Å; Y168-E425 HydrophobicContact CD2-CB 3.64Å; Y168-E425 WeakPolarHBondContact CD2-OE2 3.22Å; Y168-E425 HydrophobicContact CE2-CB 3.97Å; Y168-E425 HydrophobicContact CG-CB 4.32Å; Y168-T426 HydrophobicContact CD1-CG2 3.74Å; Y168-T426 HydrophobicContact CE1-CG2 3.07Å; Y168-T426 HydrophobicContact CE2-CG2 4.23Å
169Y94.3Very high89.3Confident15 Ų1543 Ų436%0.05922%0.221CC..EExtended strand (participates in β ladder)trans-143.2160-178.5-59.1-81.3000111.2V160 E162 R167 K207 V219 M220V160-Y169 WeakPolarHBondContact CG2-O 3.35Å; V160-Y169 PolarHBondContact N-O 3.35Å; V160-Y169 PolarHBondContact O-N 2.76Å; E162-Y169 HydrophobicContact CB-CD2 4.18Å; E162-Y169 HydrophobicContact CB-CE2 3.75Å; E162-Y169 WeakPolarHBondContact OE2-CE2 3.44Å; E162-Y169 PolarHBondContact OE2-OH 2.89Å; R167-Y169 HydrophobicContact CB-CE2 3.72Å; Y169-K207 HydrophobicContact CD1-CB 4.25Å; Y169-K207 HydrophobicContact CE1-CB 3.91Å; Y169-K207 HydrophobicContact CE1-CD 4.4Å; Y169-K207 HydrophobicContact CE1-CG 3.81Å; Y169-V219 VanDerWaalsContact CB-CG1 3.46Å; Y169-V219 HydrophobicContact CD1-CG1 4.1Å; Y169-V219 HydrophobicContact CD2-CG1 4.09Å; Y169-V219 HydrophobicContact CG-CG1 3.63Å; Y169-M220 WeakPolarHBondContact CA-O 3.36Å; Y169-M220 WeakPolarHBondContact CB-O 3.44Å
170A92.9Very high88.2Confident10 Ų1045.3 Ų45.38%0.08324%0.235CC..EExtended strand (participates in β ladder)trans-94.9119165.700000109.1L149 V157 M220 Y222L149-A170 HydrophobicContact CD1-CB 4.24Å; V157-A170 HydrophobicContact CG1-CB 4.08Å; A170-M220 PolarHBondContact N-O 3.28Å; A170-M220 PolarHBondContact O-N 3.33Å; A170-Y222 HydrophobicContact CB-CD2 4.25Å
171M93.9Very high87Confident0 Ų049.4 Ų49.40%027%0.27CS..EExtended strand (participates in β ladder)trans-100.4108.2175.5-171-174.8-74.900110.5M140 F143 Y145 V157 I158 V160 I173 F210 F218 V219M140-M171 HydrophobicContact CE-SD 4.05Å; M140-M171 HydrophobicContact SD-CE 4.45Å; M140-M171 HydrophobicContact SD-SD 3.83Å; F143-M171 HydrophobicContact CB-CE 4.01Å; F143-M171 HydrophobicContact CD1-CE 4.08Å; F143-M171 HydrophobicContact CD2-CE 3.36Å; F143-M171 HydrophobicContact CE1-CE 4.45Å; F143-M171 HydrophobicContact CE2-CE 3.79Å; F143-M171 HydrophobicContact CG-CE 3.52Å; F143-M171 HydrophobicContact CZ-CE 4.34Å; Y145-M171 HydrophobicContact CE1-CE 4.43Å; Y145-M171 HydrophobicContact CE1-SD 3.94Å; V157-M171 WeakPolarHBondContact CA-O 3.41Å; I158-M171 PolarHBondContact N-O 2.99Å; I158-M171 PolarHBondContact O-N 3.48Å; V160-M171 HydrophobicContact CG1-CB 3.8Å; V160-M171 HydrophobicContact CG1-CE 4.24Å; V160-M171 HydrophobicContact CG1-SD 4.41Å; V160-M171 HydrophobicContact CG2-CB 3.91Å; V160-M171 HydrophobicContact CG2-CE 4.26Å; M171-I173 HydrophobicContact CG-CD1 4.28Å; M171-I173 HydrophobicContact CG-CG1 3.76Å; M171-I173 HydrophobicContact SD-CD1 3.86Å; M171-I173 HydrophobicContact SD-CG1 3.85Å; M171-F210 HydrophobicContact CE-CE1 4.41Å; M171-F210 HydrophobicContact CE-CZ 4.14Å; M171-F218 CarbonylContact C-O 3.35Å; M171-F218 VanDerWaalsContact CA-O 3.26Å; M171-F218 WeakPolarHBondContact CA-O 3.31Å; M171-V219 HydrophobicContact CE-CG2 3.78Å; M171-V219 HydrophobicContact CG-CG2 4.2Å
172K90.5Very high85.7Confident30 Ų3052 Ų5213%0.1328%0.281CS..EExtended strand (participates in β ladder)trans-83116.1170.7-170.7-177.2-163.3-177.20108.1V157 L174 E191 C217 F218 M220 D285V157-K172 HydrophobicContact CG2-CB 4.3Å; V157-K172 HydrophobicContact CG2-CG 4.17Å; K172-L174 HydrophobicContact CD-CD2 4.33Å; K172-L174 HydrophobicContact CG-CD2 3.89Å; K172-L174 HydrophobicContact CG-CG 4.33Å; K172-E191 IonicContact NZ-OE1 2.95Å; K172-E191 PolarHBondContact NZ-OE1 2.93Å; K172-E191 IonicContact NZ-OE2 3.96Å; K172-E191 PolarHBondContact NZ-OE2 2.86Å; K172-C217 WeakPolarHBondContact O-CA 3.33Å; K172-F218 HydrophobicContact CB-CB 4.24Å; K172-F218 HydrophobicContact CB-CD2 4.44Å; K172-F218 HydrophobicContact CD-CD2 4.45Å; K172-F218 PolarHBondContact N-O 2.74Å; K172-F218 PolarHBondContact O-N 3.42Å; K172-M220 HydrophobicContact CB-CE 3.78Å; K172-M220 HydrophobicContact CD-CE 4.45Å; K172-D285 IonicContact NZ-OD1 2.85Å; K172-D285 PolarHBondContact NZ-OD1 3.47Å
173I89.7Confident84.6Confident4 Ų454.8 Ų54.82%0.02130%0.296CS..EExtended strand (participates in β ladder)trans-114.3111-176.6-56.5172.7000108.6M140 Y145 G155 K156 I158 M171 R215M140-I173 HydrophobicContact CE-CD1 3.8Å; M140-I173 HydrophobicContact CE-CG1 4.46Å; Y145-I173 HydrophobicContact CE1-CD1 4.47Å; G155-I173 CarbonylContact C-O 3.59Å; G155-I173 WeakPolarHBondContact CA-O 3.42Å; K156-I173 HydrophobicContact CG-CB 4.35Å; K156-I173 PolarHBondContact N-O 3.46Å; K156-I173 PolarHBondContact O-N 2.93Å; I158-I173 HydrophobicContact CD1-CD1 3.72Å; I158-I173 HydrophobicContact CG1-CD1 4.33Å; M171-I173 HydrophobicContact CG-CD1 4.28Å; M171-I173 HydrophobicContact CG-CG1 3.76Å; M171-I173 HydrophobicContact SD-CD1 3.86Å; M171-I173 HydrophobicContact SD-CG1 3.85Å; I173-R215 HydrophobicContact CG2-CB 4.24Å; I173-R215 HydrophobicContact CG2-CG 4.3Å
174L85.8Confident83.6Confident10 Ų1051 Ų515%0.05228%0.28CS..EExtended strand (participates in β ladder)trans-107.3145.9-177.2-51.5-178.6000111.6F154 K172 I179 T188 R215 L216 F218F154-L174 HydrophobicContact CB-CD2 4.04Å; K172-L174 HydrophobicContact CD-CD2 4.33Å; K172-L174 HydrophobicContact CG-CD2 3.89Å; K172-L174 HydrophobicContact CG-CG 4.33Å; L174-I179 HydrophobicContact CB-CD1 3.7Å; L174-I179 HydrophobicContact CB-CG1 4.45Å; L174-I179 HydrophobicContact CD1-CD1 4.13Å; L174-T188 HydrophobicContact CD1-CG2 4.02Å; L174-R215 CarbonylContact O-C 3.49Å; L174-R215 WeakPolarHBondContact O-CA 3.42Å; L174-R215 WeakPolarHBondContact O-CB 3.42Å; L174-L216 HydrophobicContact CB-CB 4.42Å; L174-L216 PolarHBondContact N-O 3.28Å; L174-L216 PolarHBondContact O-N 2.95Å; L174-F218 HydrophobicContact CD1-CD2 4.45Å; L174-F218 HydrophobicContact CD1-CE2 3.81Å; L174-F218 HydrophobicContact CG-CE2 4.49Å
175K82.8Confident82.7Confident109 Ų10948.6 Ų48.647%0.47426%0.256SS..EExtended strand (participates in β ladder)trans-87.2119.7175.8-75.6175.9177.1-171.60110.8F154 E177 V178 I179 R215F154-K175 PolarHBondContact O-N 3.3Å; K175-E177 VanDerWaalsContact C-N 3.33Å; K175-E177 PolarHBondContact O-N 3.4Å; K175-V178 HydrophobicContact CB-CB 3.95Å; K175-V178 HydrophobicContact CB-CG2 3.65Å; K175-V178 HydrophobicContact CD-CG2 3.83Å; K175-V178 HydrophobicContact CG-CG2 4.38Å; K175-V178 PolarHBondContact O-N 3.36Å; K175-V178 VanDerWaalsContact O-N 3.11Å; K175-I179 WeakPolarHBondContact O-CG1 3.5Å; K175-I179 PolarHBondContact O-N 2.8Å; K175-R215 VanDerWaalsContact CG-NH1 3.34Å
176K82.1Confident81.8Confident7 Ų748 Ų483%0.0326%0.259CS..Hα-helixtrans-55.1-46.7178.8-72.7-176.8173-172.20112.4V178 I179 V180 T212 D214 L216 P460 F462K176-V178 VanDerWaalsContact C-N 3.28Å; K176-V178 PolarHBondContact O-N 3.25Å; K176-I179 PolarHBondContact O-N 3.2Å; K176-V180 WeakPolarHBondContact O-CG2 3.41Å; K176-V180 PolarHBondContact O-N 3.38Å; K176-T212 VanDerWaalsContact CE-O 3.29Å; K176-T212 WeakPolarHBondContact CE-O 3.42Å; K176-T212 PolarHBondContact NZ-O 2.96Å; K176-D214 PolarHBondContact N-O 2.69Å; K176-L216 HydrophobicContact CG-CD2 4.37Å; K176-L216 HydrophobicContact CG-CG 4.1Å; K176-P460 PolarHBondContact NZ-O 3.39Å; K176-F462 HydrophobicContact CB-CE2 4.36Å; K176-F462 HydrophobicContact CD-CD2 4.27Å; K176-F462 HydrophobicContact CD-CE2 4.17Å; K176-F462 HydrophobicContact CG-CD2 4.35Å; K176-F462 HydrophobicContact CG-CE2 3.92Å
177E78.6Confident80.7Confident85 Ų8548.8 Ų48.840%0.39726%0.255SS..Hα-helixtrans-59.6-37.7179.7-63.7178.4172.800112.7K175 A181 R458 R459K175-E177 VanDerWaalsContact C-N 3.33Å; K175-E177 PolarHBondContact O-N 3.4Å; E177-A181 WeakPolarHBondContact O-CB 3.3Å; E177-A181 PolarHBondContact O-N 3.12Å; E177-R458 WeakPolarHBondContact CA-O 3.45Å; E177-R458 HydrophobicContact CG-CB 4.49Å; E177-R459 HydrophobicContact CG-CG 3.9Å; E177-R459 IonicContact OE1-CZ 3.24Å; E177-R459 IonicContact OE1-NE 3.16Å; E177-R459 PolarHBondContact OE1-NE 3.03Å; E177-R459 IonicContact OE1-NH2 3.58Å; E177-R459 PolarHBondContact OE1-NH2 3.27Å
178V74.7Confident79.8Confident40 Ų4043 Ų4324%0.24223%0.234CC..Hα-helixtrans-75.2-36.8-179.3-177.20000110.8F154 K175 K176 K182F154-V178 HydrophobicContact CD1-CG1 4.05Å; K175-V178 HydrophobicContact CB-CB 3.95Å; K175-V178 HydrophobicContact CB-CG2 3.65Å; K175-V178 HydrophobicContact CD-CG2 3.83Å; K175-V178 HydrophobicContact CG-CG2 4.38Å; K175-V178 PolarHBondContact O-N 3.36Å; K175-V178 VanDerWaalsContact O-N 3.11Å; K176-V178 VanDerWaalsContact C-N 3.28Å; K176-V178 PolarHBondContact O-N 3.25Å; V178-K182 HydrophobicContact CG1-CD 4.18Å; V178-K182 WeakPolarHBondContact O-CB 3.46Å; V178-K182 WeakPolarHBondContact O-CG 3.39Å; V178-K182 PolarHBondContact O-N 2.94Å; V178-K182 VanDerWaalsContact O-N 3.11Å
179I73.7Confident78.9Confident0 Ų041.6 Ų41.60%023%0.23CC..Hα-helixtrans-60.8-49.8174.5-66.7161.8000109.9L174 K175 K176 K182 D183 E184 V185 T188 L216 F462L174-I179 HydrophobicContact CB-CD1 3.7Å; L174-I179 HydrophobicContact CB-CG1 4.45Å; L174-I179 HydrophobicContact CD1-CD1 4.13Å; K175-I179 WeakPolarHBondContact O-CG1 3.5Å; K175-I179 PolarHBondContact O-N 2.8Å; K176-I179 PolarHBondContact O-N 3.2Å; I179-K182 PolarHBondContact O-N 3.36Å; I179-D183 PolarHBondContact O-N 2.76Å; I179-E184 HydrophobicContact CG2-CB 4.14Å; I179-E184 PolarHBondContact O-N 2.95Å; I179-V185 HydrophobicContact CG2-CB 4.48Å; I179-V185 HydrophobicContact CG2-CG2 3.93Å; I179-T188 HydrophobicContact CD1-CG2 4.19Å; I179-L216 HydrophobicContact CD1-CD1 3.71Å; I179-L216 HydrophobicContact CD1-CG 4.38Å; I179-F462 HydrophobicContact CG2-CZ 4.28Å
180V72.4Confident77.9Confident50 Ų5041.8 Ų41.830%0.30323%0.233SC..Hα-helixtrans-64.1-47.5179.2175.50000110.8K176 K182 D183 V185 P460K176-V180 WeakPolarHBondContact O-CG2 3.41Å; K176-V180 PolarHBondContact O-N 3.38Å; V180-K182 PolarHBondContact O-N 3.05Å; V180-K182 VanDerWaalsContact O-N 3.13Å; V180-D183 PolarHBondContact O-N 3Å; V180-D183 VanDerWaalsContact O-N 3.12Å; V180-V185 HydrophobicContact CG2-CG2 4.11Å; V180-P460 HydrophobicContact CG2-CG 3.97Å
181A68.8Low77.2Confident87 Ų8741.6 Ų41.672%0.71923%0.231SC*.Hα-helixtrans-63.6-21-178.400000114.1E177E177-A181 WeakPolarHBondContact O-CB 3.3Å; E177-A181 PolarHBondContact O-N 3.12Å
182K67.5Low76.4Confident114 Ų11441.6 Ų41.650%0.49623%0.231SC..THydrogen-bonded Turntrans-1054.7178.5-70.4-168.3164.6-1340114T153 F154 V178 I179 V180 E184T153-K182 HydrophobicContact CG2-CD 4.04Å; F154-K182 HydrophobicContact CD1-CD 4.11Å; F154-K182 HydrophobicContact CE1-CB 3.83Å; F154-K182 HydrophobicContact CE1-CD 3.37Å; F154-K182 HydrophobicContact CE1-CG 4.17Å; F154-K182 HydrophobicContact CZ-CD 4.08Å; V178-K182 HydrophobicContact CG1-CD 4.18Å; V178-K182 WeakPolarHBondContact O-CB 3.46Å; V178-K182 WeakPolarHBondContact O-CG 3.39Å; V178-K182 PolarHBondContact O-N 2.94Å; V178-K182 VanDerWaalsContact O-N 3.11Å; I179-K182 PolarHBondContact O-N 3.36Å; V180-K182 PolarHBondContact O-N 3.05Å; V180-K182 VanDerWaalsContact O-N 3.13Å; K182-E184 VanDerWaalsContact C-N 3.31Å; K182-E184 HydrophobicContact CB-CG 4.04Å; K182-E184 PolarHBondContact O-N 2.82Å
183D71.9Confident75.9Confident72 Ų7243.7 Ų43.739%0.38524%0.237SC..THydrogen-bonded Turntrans61.135.2-179.3-157.933.1000114.3T82 I179 V180T82-D183 WeakPolarHBondContact CB-OD2 3.34Å; T82-D183 WeakPolarHBondContact CG2-OD2 3.49Å; T82-D183 VanDerWaalsContact OG1-CG 3.28Å; T82-D183 PolarHBondContact OG1-OD1 2.79Å; T82-D183 PolarHBondContact OG1-OD2 2.89Å; I179-D183 PolarHBondContact O-N 2.76Å; V180-D183 PolarHBondContact O-N 3Å; V180-D183 VanDerWaalsContact O-N 3.12Å
184E73.6Confident75.2Confident50 Ų5043.6 Ų43.623%0.23424%0.237CC..  trans-103.114.6-173.4-72.9-75.1158.400113F154 I179 K182 A186 H187 T188F154-E184 HydrophobicContact CE1-CB 4.11Å; F154-E184 HydrophobicContact CE1-CG 3.58Å; F154-E184 HydrophobicContact CZ-CB 4.45Å; F154-E184 HydrophobicContact CZ-CG 3.62Å; I179-E184 HydrophobicContact CG2-CB 4.14Å; I179-E184 PolarHBondContact O-N 2.95Å; K182-E184 VanDerWaalsContact C-N 3.31Å; K182-E184 HydrophobicContact CB-CG 4.04Å; K182-E184 PolarHBondContact O-N 2.82Å; E184-A186 PolarHBondContact O-N 3.45Å; E184-H187 VanDerWaalsContact CD-ND1 3.33Å; E184-H187 PolarHBondContact O-N 2.83Å; E184-H187 IonicContact OE1-CE1 3.3Å; E184-H187 IonicContact OE1-ND1 3.99Å; E184-H187 PolarHBondContact OE1-ND1 2.98Å; E184-H187 WeakPolarHBondContact OE2-CB 3.33Å; E184-H187 IonicContact OE2-CE1 2.82Å; E184-H187 IonicContact OE2-CG 2.8Å; E184-H187 IonicContact OE2-ND1 2.86Å; E184-H187 PolarHBondContact OE2-ND1 3.16Å; E184-T188 WeakPolarHBondContact O-CB 3.24Å; E184-T188 PolarHBondContact O-N 3.43Å; E184-T188 PolarHBondContact O-OG1 2.79Å
185V75.2Confident75Confident46 Ų4643.3 Ų43.328%0.27924%0.236SC..Hα-helixtrans-60.5-46.6-178.5170.50000110.8I179 V180 T188 L189 F462I179-V185 HydrophobicContact CG2-CB 4.48Å; I179-V185 HydrophobicContact CG2-CG2 3.93Å; V180-V185 HydrophobicContact CG2-CG2 4.11Å; V185-T188 PolarHBondContact O-N 3.06Å; V185-L189 HydrophobicContact CG1-CD1 4.03Å; V185-L189 WeakPolarHBondContact O-CG 3.27Å; V185-L189 PolarHBondContact O-N 2.81Å; V185-F462 HydrophobicContact CB-CE1 4.35Å; V185-F462 HydrophobicContact CG1-CE1 3.83Å; V185-F462 HydrophobicContact CG2-CE1 4.21Å; V185-F462 HydrophobicContact CG2-CZ 4.18Å
186A72.3Confident74.9Confident64 Ų6440 Ų4053%0.52922%0.222SC..Hα-helixtrans-65.2-42.2-178.100000112.4E184 L189 T190E184-A186 PolarHBondContact O-N 3.45Å; A186-L189 PolarHBondContact O-N 3.33Å; A186-T190 WeakPolarHBondContact O-CB 3.36Å; A186-T190 PolarHBondContact O-N 3.02Å; A186-T190 PolarHBondContact O-OG1 2.58Å
187H69.5Low74.6Confident44 Ų4443.8 Ų43.820%0.20424%0.242CC..Hα-helixtrans-63-45.2176-66.4156.1000111.2E184 L189 T190 E191 G287E184-H187 VanDerWaalsContact CD-ND1 3.33Å; E184-H187 PolarHBondContact O-N 2.83Å; E184-H187 IonicContact OE1-CE1 3.3Å; E184-H187 IonicContact OE1-ND1 3.99Å; E184-H187 PolarHBondContact OE1-ND1 2.98Å; E184-H187 WeakPolarHBondContact OE2-CB 3.33Å; E184-H187 IonicContact OE2-CE1 2.82Å; E184-H187 IonicContact OE2-CG 2.8Å; E184-H187 IonicContact OE2-ND1 2.86Å; E184-H187 PolarHBondContact OE2-ND1 3.16Å; H187-L189 PolarHBondContact O-N 3.27Å; H187-T190 PolarHBondContact O-N 2.89Å; H187-T190 VanDerWaalsContact O-N 3.15Å; H187-E191 PolarHBondContact O-N 2.76Å; H187-G287 WeakPolarHBondContact CB-O 3.15Å
188T73.6Confident74.8Confident9 Ų940.4 Ų40.46%0.05523%0.228CC..Hα-helixtrans-63.2-40.3179.2-54.90000112.8L174 I179 E184 V185 N192 L216 F218 F465L174-T188 HydrophobicContact CD1-CG2 4.02Å; I179-T188 HydrophobicContact CD1-CG2 4.19Å; E184-T188 WeakPolarHBondContact O-CB 3.24Å; E184-T188 PolarHBondContact O-N 3.43Å; E184-T188 PolarHBondContact O-OG1 2.79Å; V185-T188 PolarHBondContact O-N 3.06Å; T188-N192 PolarHBondContact O-N 2.74Å; T188-L216 HydrophobicContact CG2-CD1 3.57Å; T188-F218 HydrophobicContact CG2-CE2 4.29Å; T188-F218 HydrophobicContact CG2-CZ 4.11Å; T188-F465 HydrophobicContact CG2-CZ 4.09Å
189L73.8Confident75.5Confident28 Ų2845.7 Ų45.715%0.14725%0.248CC..Hα-helixtrans-68.2-36.9175.1-73171.7000112V185 A186 H187 N192 R193 F462 P463 F465V185-L189 HydrophobicContact CG1-CD1 4.03Å; V185-L189 WeakPolarHBondContact O-CG 3.27Å; V185-L189 PolarHBondContact O-N 2.81Å; A186-L189 PolarHBondContact O-N 3.33Å; H187-L189 PolarHBondContact O-N 3.27Å; L189-N192 PolarHBondContact O-N 3.01Å; L189-R193 WeakPolarHBondContact O-CG 3.31Å; L189-R193 PolarHBondContact O-N 2.81Å; L189-F462 HydrophobicContact CD2-CD1 4.03Å; L189-F462 HydrophobicContact CG-CD1 4.24Å; L189-P463 HydrophobicContact CD2-CG 4.19Å; L189-F465 HydrophobicContact CD2-CE2 4.09Å
190T72.7Confident76.6Confident19 Ų1946.2 Ų46.212%0.11725%0.251CS..Hα-helixtrans-67.3-44.4177.4-560000111.1A186 H187 N192 R193 V194 C289 E291A186-T190 WeakPolarHBondContact O-CB 3.36Å; A186-T190 PolarHBondContact O-N 3.02Å; A186-T190 PolarHBondContact O-OG1 2.58Å; H187-T190 PolarHBondContact O-N 2.89Å; H187-T190 VanDerWaalsContact O-N 3.15Å; T190-N192 VanDerWaalsContact C-N 3.3Å; T190-N192 PolarHBondContact O-N 3.27Å; T190-R193 PolarHBondContact O-N 2.75Å; T190-R193 PolarHBondContact OG1-NH2 3.4Å; T190-R193 VanDerWaalsContact OG1-NH2 3.09Å; T190-V194 HydrophobicContact CG2-CG2 4.13Å; T190-V194 WeakPolarHBondContact O-CB 3.37Å; T190-V194 WeakPolarHBondContact O-CG2 2.95Å; T190-V194 PolarHBondContact O-N 2.83Å; T190-C289 WeakPolarHBondContact CG2-O 3.2Å; T190-E291 HydrophobicContact CG2-CG 4.4Å
191E79.2Confident77.7Confident6 Ų645.4 Ų45.43%0.02825%0.246CC..Hα-helixtrans-53.5-49.1173.2-172.9172.8-166.800110.8K172 H187 R193 V194 L195 F286K172-E191 IonicContact NZ-OE1 2.95Å; K172-E191 PolarHBondContact NZ-OE1 2.93Å; K172-E191 IonicContact NZ-OE2 3.96Å; K172-E191 PolarHBondContact NZ-OE2 2.86Å; H187-E191 PolarHBondContact O-N 2.76Å; E191-R193 PolarHBondContact O-N 2.8Å; E191-V194 PolarHBondContact O-N 3Å; E191-L195 HydrophobicContact CG-CD1 3.8Å; E191-L195 HydrophobicContact CG-CG 4.44Å; E191-L195 WeakPolarHBondContact O-CB 3.34Å; E191-L195 VanDerWaalsContact O-CG 3.3Å; E191-L195 WeakPolarHBondContact O-CG 3.05Å; E191-L195 PolarHBondContact O-N 3.22Å; E191-F286 HydrophobicContact CG-CB 4.17Å
192N76.9Confident79.1Confident0 Ų041.2 Ų41.20%021%0.212CC..Hα-helixtrans-58.6-47.6178.1-168.836.3000112.4T188 L189 T190 Q196 S209 F218 Q464 F465T188-N192 PolarHBondContact O-N 2.74Å; L189-N192 PolarHBondContact O-N 3.01Å; T190-N192 VanDerWaalsContact C-N 3.3Å; T190-N192 PolarHBondContact O-N 3.27Å; N192-Q196 VanDerWaalsContact CG-NE2 3.26Å; N192-Q196 PolarHBondContact ND2-NE2 2.97Å; N192-Q196 VanDerWaalsContact ND2-NE2 3.16Å; N192-Q196 WeakPolarHBondContact O-CB 3.39Å; N192-Q196 WeakPolarHBondContact O-CG 3.28Å; N192-Q196 PolarHBondContact O-N 3.09Å; N192-Q196 PolarHBondContact OD1-NE2 3.49Å; N192-S209 VanDerWaalsContact OD1-CB 3.31Å; N192-S209 WeakPolarHBondContact OD1-CB 3.09Å; N192-S209 PolarHBondContact OD1-OG 3.4Å; N192-F218 HydrophobicContact CB-CE1 3.64Å; N192-F218 HydrophobicContact CB-CZ 4.18Å; N192-Q464 PolarHBondContact ND2-O 3.07Å; N192-F465 HydrophobicContact CB-CE2 4.27Å; N192-F465 HydrophobicContact CB-CZ 4.01Å
193R79Confident80.4Confident73 Ų7336 Ų3628%0.27519%0.189SC..Hα-helixtrans-66.4-45.7-179.4-72.7-168.8-52.1-93.3-7.4112.6L189 T190 E191 L195 Q196 N197 E291L189-R193 WeakPolarHBondContact O-CG 3.31Å; L189-R193 PolarHBondContact O-N 2.81Å; T190-R193 PolarHBondContact O-N 2.75Å; T190-R193 PolarHBondContact OG1-NH2 3.4Å; T190-R193 VanDerWaalsContact OG1-NH2 3.09Å; E191-R193 PolarHBondContact O-N 2.8Å; R193-L195 VanDerWaalsContact C-N 3.34Å; R193-L195 PolarHBondContact O-N 2.85Å; R193-Q196 PolarHBondContact O-N 3.05Å; R193-N197 WeakPolarHBondContact O-CB 3.19Å; R193-N197 PolarHBondContact O-N 3.44Å; R193-N197 VanDerWaalsContact O-N 3.12Å; R193-N197 PolarHBondContact O-ND2 3.2Å; R193-E291 IonicContact CZ-OE2 3.62Å; R193-E291 VanDerWaalsContact CZ-OE2 3.3Å; R193-E291 IonicContact NE-OE1 2.68Å; R193-E291 IonicContact NE-OE2 2.75Å; R193-E291 PolarHBondContact NE-OE2 3.47Å; R193-E291 IonicContact NH2-OE2 3.88Å; R193-E291 PolarHBondContact NH2-OE2 3.04Å
194V75.4Confident81.3Confident2 Ų233 Ų331%0.01217%0.174CC..Hα-helixtrans-61.5-46179.4171.20000109.9T190 E191 N197 S198 V263 F286 C289 E291T190-V194 HydrophobicContact CG2-CG2 4.13Å; T190-V194 WeakPolarHBondContact O-CB 3.37Å; T190-V194 WeakPolarHBondContact O-CG2 2.95Å; T190-V194 PolarHBondContact O-N 2.83Å; E191-V194 PolarHBondContact O-N 3Å; V194-N197 CarbonylContact O-C 3.57Å; V194-N197 PolarHBondContact O-N 3.21Å; V194-S198 WeakPolarHBondContact O-CB 3.46Å; V194-S198 PolarHBondContact O-N 3.19Å; V194-S198 PolarHBondContact O-OG 3.02Å; V194-V263 HydrophobicContact CG1-CG1 4.37Å; V194-V263 HydrophobicContact CG2-CG1 4.3Å; V194-V263 HydrophobicContact CG2-CG2 4.27Å; V194-F286 HydrophobicContact CG1-CB 4.2Å; V194-F286 HydrophobicContact CG1-CD1 3.88Å; V194-F286 HydrophobicContact CG1-CG 4.25Å; V194-C289 HydrophobicContact CG1-CB 4.43Å; V194-C289 HydrophobicContact CG2-CB 3.93Å; V194-E291 HydrophobicContact CG2-CG 3.75Å
195L81.7Confident82.1Confident5 Ų531.5 Ų31.53%0.02617%0.171CC..Hα-helixtrans-63.9-40.5178.2-82.2176000113.5E191 R193 N197 T204 L206 F218 M220 F286E191-L195 HydrophobicContact CG-CD1 3.8Å; E191-L195 HydrophobicContact CG-CG 4.44Å; E191-L195 WeakPolarHBondContact O-CB 3.34Å; E191-L195 VanDerWaalsContact O-CG 3.3Å; E191-L195 WeakPolarHBondContact O-CG 3.05Å; E191-L195 PolarHBondContact O-N 3.22Å; R193-L195 VanDerWaalsContact C-N 3.34Å; R193-L195 PolarHBondContact O-N 2.85Å; L195-N197 VanDerWaalsContact C-N 3.26Å; L195-N197 PolarHBondContact O-N 3.46Å; L195-T204 WeakPolarHBondContact CD2-O 3.44Å; L195-L206 HydrophobicContact CB-CB 3.8Å; L195-L206 HydrophobicContact CB-CD2 3.82Å; L195-L206 HydrophobicContact CB-CG 4.31Å; L195-L206 HydrophobicContact CD1-CD1 4.35Å; L195-L206 HydrophobicContact CD2-CB 4.38Å; L195-L206 HydrophobicContact CG-CB 4.49Å; L195-F218 HydrophobicContact CD1-CD1 4.33Å; L195-M220 HydrophobicContact CD1-SD 4.12Å; L195-F286 HydrophobicContact CD2-CD2 3.36Å; L195-F286 HydrophobicContact CD2-CE2 3.55Å; L195-F286 HydrophobicContact CD2-CG 4.23Å; L195-F286 HydrophobicContact CG-CD2 3.88Å; L195-F286 HydrophobicContact CG-CG 4.4Å
196Q80.4Confident82.8Confident39 Ų3929.9 Ų29.918%0.18216%0.161CC..Hα-helixtrans-65.2-32.1177.3-75.9-179.526.700112.9N192 R193 L206 S209 Q464 Y467N192-Q196 VanDerWaalsContact CG-NE2 3.26Å; N192-Q196 PolarHBondContact ND2-NE2 2.97Å; N192-Q196 VanDerWaalsContact ND2-NE2 3.16Å; N192-Q196 WeakPolarHBondContact O-CB 3.39Å; N192-Q196 WeakPolarHBondContact O-CG 3.28Å; N192-Q196 PolarHBondContact O-N 3.09Å; N192-Q196 PolarHBondContact OD1-NE2 3.49Å; R193-Q196 PolarHBondContact O-N 3.05Å; Q196-L206 HydrophobicContact CG-CD2 3.67Å; Q196-S209 PolarHBondContact NE2-OG 2.89Å; Q196-Q464 PolarHBondContact NE2-O 3.36Å; Q196-Y467 HydrophobicContact CB-CD2 4.23Å; Q196-Y467 HydrophobicContact CB-CE2 4.08Å; Q196-Y467 HydrophobicContact CG-CD1 3.97Å; Q196-Y467 HydrophobicContact CG-CD2 3.59Å; Q196-Y467 HydrophobicContact CG-CE1 4.25Å; Q196-Y467 HydrophobicContact CG-CE2 3.88Å; Q196-Y467 HydrophobicContact CG-CG 3.63Å
197N76.7Confident83.7Confident86 Ų8628.7 Ų28.746%0.4614%0.144SC..Hα-helixtrans-100.8-0.7-174.3-65.6-48.5000113R193 V194 L195 R261R193-N197 WeakPolarHBondContact O-CB 3.19Å; R193-N197 PolarHBondContact O-N 3.44Å; R193-N197 VanDerWaalsContact O-N 3.12Å; R193-N197 PolarHBondContact O-ND2 3.2Å; V194-N197 CarbonylContact O-C 3.57Å; V194-N197 PolarHBondContact O-N 3.21Å; L195-N197 VanDerWaalsContact C-N 3.26Å; L195-N197 PolarHBondContact O-N 3.46Å; N197-R261 PolarHBondContact O-NE 2.87Å; N197-R261 VanDerWaalsContact O-NE 3.09Å; N197-R261 PolarHBondContact O-NH1 2.86Å; N197-R261 PolarHBondContact O-NH2 3.15Å; N197-R261 VanDerWaalsContact O-NH2 3.16Å
198S82.5Confident84.6Confident15 Ų1527.5 Ų27.511%0.10514%0.138CC..  trans-108.7126.4-177.4-62.20000111.8V194 Y256V194-S198 WeakPolarHBondContact O-CB 3.46Å; V194-S198 PolarHBondContact O-N 3.19Å; V194-S198 PolarHBondContact O-OG 3.02Å; S198-Y256 WeakPolarHBondContact CA-OH 3.49Å
199K89.4Confident85.3Confident151 Ų15127 Ų2766%0.65714%0.135SC*.  trans-138.298.7174.7-172.1178.3-178.2-178.60109Y256K199-Y256 PolarHBondContact N-OH 3.16Å; K199-Y256 PolarHBondContact O-OH 2.89Å
200H95.3Very high86.1Confident11 Ų1126.4 Ų26.45%0.05113%0.131CC..  trans-142.3142.6177.5-174.1-88.4000109.4F202 L203 S252 A253 Y256 Y410H200-F202 AromaticContact CE1-CD2 3.55Å; H200-F202 PolarHBondContact ND1-N 2.73Å; H200-F202 PolarHBondContact O-N 2.86Å; H200-F202 VanDerWaalsContact O-N 3.1Å; H200-L203 HydrophobicContact CB-CB 4.15Å; H200-L203 HydrophobicContact CB-CD1 3.77Å; H200-L203 HydrophobicContact CB-CG 3.78Å; H200-L203 PolarHBondContact O-N 3.5Å; H200-S252 PolarHBondContact CE1-OG 3.05Å; H200-S252 PolarHBondContact NE2-O 2.85Å; H200-S252 PolarHBondContact NE2-OG 3.09Å; H200-A253 VanDerWaalsContact CE1-CA 3.5Å; H200-A253 WeakPolarHBondContact CE1-CA 3.28Å; H200-Y256 HydrophobicContact CB-CD1 3.79Å; H200-Y256 HydrophobicContact CB-CD2 4.36Å; H200-Y256 HydrophobicContact CB-CE1 4.02Å; H200-Y256 HydrophobicContact CB-CG 3.98Å; H200-Y256 VanDerWaalsContact CD2-CB 3.45Å; H200-Y256 WeakPolarHBondContact CD2-CB 3.48Å; H200-Y256 AromaticContact CD2-CD2 3.88Å; H200-Y256 AromaticContact CD2-CG 3.58Å; H200-Y410 AromaticContact CD2-CD2 3.89Å; H200-Y410 AromaticContact CD2-CE2 3.58Å; H200-Y410 AromaticContact NE2-CD2 3.46Å; H200-Y410 WeakPolarHBondContact NE2-CD2 3.36Å; H200-Y410 AromaticContact NE2-CE2 3.68Å
201P96.9Very high86.7Confident32 Ų3227.1 Ų27.121%0.20813%0.133CC..THydrogen-bonded Turntrans-52.6-34.5-175.6-30.937.6000115K282 Y410 K412P201-K282 WeakPolarHBondContact O-CE 3.21Å; P201-K282 PolarHBondContact O-NZ 2.82Å; P201-Y410 HydrophobicContact CG-CD2 4.42Å; P201-Y410 HydrophobicContact CG-CE2 4.3Å; P201-Y410 VanDerWaalsContact CG-O 3.27Å; P201-Y410 WeakPolarHBondContact CG-O 3.45Å; P201-K412 HydrophobicContact CB-CD 4.11Å; P201-K412 HydrophobicContact CB-CG 4.04Å
202F97.8Very high87.1Confident0 Ų028.2 Ų28.20%014%0.14CC..THydrogen-bonded Turntrans-102.66-178.1-48.7-52.6000114.6H200 E249 A253 H280 I281 K282 I283 V409 K412H200-F202 AromaticContact CE1-CD2 3.55Å; H200-F202 PolarHBondContact ND1-N 2.73Å; H200-F202 PolarHBondContact O-N 2.86Å; H200-F202 VanDerWaalsContact O-N 3.1Å; F202-E249 HydrophobicContact CD1-CB 4.19Å; F202-E249 HydrophobicContact CD1-CG 4.31Å; F202-E249 HydrophobicContact CD2-CB 3.69Å; F202-E249 HydrophobicContact CD2-CG 4.17Å; F202-E249 WeakPolarHBondContact CD2-O 3.5Å; F202-E249 HydrophobicContact CE1-CB 4.22Å; F202-E249 VanDerWaalsContact CE1-CD 3.43Å; F202-E249 HydrophobicContact CE1-CG 3.86Å; F202-E249 WeakPolarHBondContact CE1-OE1 3.44Å; F202-E249 HydrophobicContact CE2-CB 3.79Å; F202-E249 HydrophobicContact CE2-CG 3.76Å; F202-E249 HydrophobicContact CG-CB 3.93Å; F202-E249 HydrophobicContact CG-CG 4.46Å; F202-E249 HydrophobicContact CZ-CB 4.04Å; F202-E249 HydrophobicContact CZ-CG 3.57Å; F202-E249 WeakPolarHBondContact CZ-OE1 3.38Å; F202-A253 HydrophobicContact CB-CB 4.18Å; F202-H280 HydrophobicContact CD1-CB 4.3Å; F202-H280 HydrophobicContact CE1-CB 4.02Å; F202-H280 AromaticContact CE1-ND1 3.97Å; F202-I281 VanDerWaalsContact CA-O 3.31Å; F202-I281 WeakPolarHBondContact CA-O 3.29Å; F202-I281 WeakPolarHBondContact CB-O 3.46Å; F202-I281 WeakPolarHBondContact CD1-O 3.39Å; F202-K282 CarbonylContact O-C 3.4Å; F202-K282 WeakPolarHBondContact O-CA 3.35Å; F202-I283 PolarHBondContact O-N 3.04Å; F202-V409 HydrophobicContact CE2-CG1 3.81Å; F202-V409 WeakPolarHBondContact CE2-O 3.41Å; F202-V409 HydrophobicContact CZ-CG1 4.36Å; F202-V409 WeakPolarHBondContact CZ-O 3.26Å; F202-K412 HydrophobicContact CE1-CD 4.26Å; F202-K412 HydrophobicContact CE1-CG 3.8Å; F202-K412 HydrophobicContact CZ-CG 3.98Å
203L94.3Very high87.5Confident3 Ų331.3 Ų31.32%0.01616%0.155CC..BIsolated β-bridgetrans-97.4147.9167.9-61.7-178.4000108.9H200 G205 A253 Y256 L257 K282 I283 F286H200-L203 HydrophobicContact CB-CB 4.15Å; H200-L203 HydrophobicContact CB-CD1 3.77Å; H200-L203 HydrophobicContact CB-CG 3.78Å; H200-L203 PolarHBondContact O-N 3.5Å; L203-G205 PolarHBondContact O-N 3.06Å; L203-A253 HydrophobicContact CD2-CB 3.88Å; L203-A253 HydrophobicContact CG-CB 4.33Å; L203-Y256 HydrophobicContact CD1-CD1 3.82Å; L203-Y256 HydrophobicContact CD1-CE1 3.92Å; L203-L257 HydrophobicContact CD1-CD1 4.38Å; L203-L257 HydrophobicContact CD1-CD2 3.75Å; L203-L257 HydrophobicContact CD1-CG 3.97Å; L203-L257 HydrophobicContact CD2-CD1 4.24Å; L203-K282 PolarHBondContact O-NZ 3.28Å; L203-I283 HydrophobicContact CD2-CB 3.84Å; L203-I283 HydrophobicContact CD2-CD1 3.98Å; L203-I283 HydrophobicContact CD2-CG1 4.2Å; L203-I283 HydrophobicContact CD2-CG2 4.43Å; L203-F286 HydrophobicContact CB-CZ 4.07Å; L203-F286 HydrophobicContact CD1-CE1 4.47Å; L203-F286 HydrophobicContact CD2-CE1 3.95Å; L203-F286 HydrophobicContact CD2-CZ 3.92Å; L203-F286 HydrophobicContact CG-CZ 4.4Å
204T91.9Very high87.6Confident11 Ų1129.2 Ų29.27%0.06715%0.149CC..PPolyproline II helixtrans-70.7120.1174.1-58.60000109.8L195 M220 E221 I283 T284L195-T204 WeakPolarHBondContact CD2-O 3.44Å; T204-M220 HydrophobicContact CG2-CB 3.91Å; T204-E221 HydrophobicContact CG2-CB 4.25Å; T204-I283 WeakPolarHBondContact CB-O 3.49Å; T204-I283 PolarHBondContact N-O 2.84Å; T204-I283 PolarHBondContact OG1-O 3.41Å; T204-T284 WeakPolarHBondContact OG1-CG2 3.32Å
205G89.3Confident88.2Confident17 Ų1730.4 Ų30.418%0.17515%0.153CC..PPolyproline II helixtrans-76140178.800000112.9L203 M220 E221L203-G205 PolarHBondContact O-N 3.06Å; G205-M220 CarbonylContact O-C 3.57Å; G205-M220 VanDerWaalsContact O-CA 3.31Å; G205-M220 WeakPolarHBondContact O-CA 3.47Å; G205-E221 PolarHBondContact N-OE2 2.66Å; G205-E221 PolarHBondContact O-N 3.18Å
206L89.9Confident88.4Confident12 Ų1230.1 Ų30.16%0.06315%0.152CC..EExtended strand (participates in β ladder)trans-91.1124.3169.417973.8000110.3L195 Q196 Y208 F218 M220 Y467L195-L206 HydrophobicContact CB-CB 3.8Å; L195-L206 HydrophobicContact CB-CD2 3.82Å; L195-L206 HydrophobicContact CB-CG 4.31Å; L195-L206 HydrophobicContact CD1-CD1 4.35Å; L195-L206 HydrophobicContact CD2-CB 4.38Å; L195-L206 HydrophobicContact CG-CB 4.49Å; Q196-L206 HydrophobicContact CG-CD2 3.67Å; L206-Y208 VanDerWaalsContact CD1-O 3.29Å; L206-Y208 WeakPolarHBondContact CD1-O 3.47Å; L206-F218 HydrophobicContact CD1-CB 4.01Å; L206-F218 HydrophobicContact CD1-CD1 4.06Å; L206-M220 HydrophobicContact CD1-CG 3.99Å; L206-Y467 HydrophobicContact CD2-CD1 3.91Å; L206-Y467 HydrophobicContact CD2-CE1 4.18Å; L206-Y467 HydrophobicContact CG-CD1 4.27Å; L206-Y467 HydrophobicContact CG-CE1 4.33Å
207K90.6Very high88.9Confident40 Ų4028.3 Ų28.317%0.17414%0.143CC..EExtended strand (participates in β ladder)trans-91.6-49.5176.7-175.665.5-175.9163.60111.9Y169 V219 A469Y169-K207 HydrophobicContact CD1-CB 4.25Å; Y169-K207 HydrophobicContact CE1-CB 3.91Å; Y169-K207 HydrophobicContact CE1-CD 4.4Å; Y169-K207 HydrophobicContact CE1-CG 3.81Å; K207-V219 WeakPolarHBondContact CA-O 3.1Å; K207-V219 WeakPolarHBondContact CB-O 3.42Å; K207-V219 PolarHBondContact N-O 2.83Å; K207-A469 HydrophobicContact CD-CB 4.34Å; K207-A469 PolarHBondContact NZ-O 2.77Å; K207-A469 PolarHBondContact O-N 3.23Å
208Y89.9Confident89.5Confident18 Ų1824.2 Ų24.27%0.07112%0.121CC..EExtended strand (participates in β ladder)trans-138.3143.6-179.6-49-65.1000110.7V138 F143 E162 L206 V219 Y467 S468V138-Y208 HydrophobicContact CG1-CD2 4.3Å; V138-Y208 HydrophobicContact CG1-CG 4.23Å; V138-Y208 HydrophobicContact CG2-CD1 3.97Å; V138-Y208 HydrophobicContact CG2-CE1 4.03Å; V138-Y208 HydrophobicContact CG2-CG 4.43Å; F143-Y208 HydrophobicContact CE1-CD2 4.3Å; F143-Y208 HydrophobicContact CE1-CE2 4.28Å; F143-Y208 AromaticContact CZ-CD2 3.7Å; F143-Y208 HydrophobicContact CZ-CD2 3.7Å; F143-Y208 AromaticContact CZ-CE2 3.92Å; F143-Y208 HydrophobicContact CZ-CE2 3.92Å; E162-Y208 WeakPolarHBondContact OE1-CE2 3.3Å; E162-Y208 VanDerWaalsContact OE1-CZ 3.31Å; E162-Y208 PolarHBondContact OE1-OH 3.27Å; L206-Y208 VanDerWaalsContact CD1-O 3.29Å; L206-Y208 WeakPolarHBondContact CD1-O 3.47Å; Y208-V219 HydrophobicContact CD2-CB 3.83Å; Y208-V219 HydrophobicContact CD2-CG1 3.87Å; Y208-V219 HydrophobicContact CD2-CG2 4.14Å; Y208-V219 HydrophobicContact CG-CB 4.36Å; Y208-V219 PolarHBondContact N-O 2.88Å; Y208-V219 PolarHBondContact O-N 3.44Å; Y208-Y467 WeakPolarHBondContact CA-O 3.35Å; Y208-S468 WeakPolarHBondContact CE1-OG 3.28Å
209S88.7Confident90Very high0 Ų023.5 Ų23.50%012%0.116CC..EExtended strand (participates in β ladder)trans-130.8129.2159.376.80000110.6N192 Q196 C217 F465 S466 Y467N192-S209 VanDerWaalsContact OD1-CB 3.31Å; N192-S209 WeakPolarHBondContact OD1-CB 3.09Å; N192-S209 PolarHBondContact OD1-OG 3.4Å; Q196-S209 PolarHBondContact NE2-OG 2.89Å; S209-C217 VanDerWaalsContact CA-O 3.32Å; S209-C217 WeakPolarHBondContact CA-O 3.26Å; S209-F465 CarbonylContact O-C 3.48Å; S209-F465 VanDerWaalsContact O-C 3.3Å; S209-S466 CarbonylContact O-C 3.6Å; S209-S466 WeakPolarHBondContact O-CA 3.49Å; S209-S466 PolarHBondContact O-N 3.17Å; S209-Y467 PolarHBondContact N-O 2.77Å; S209-Y467 PolarHBondContact O-N 3.37Å; S209-Y467 WeakPolarHBondContact OG-CB 3.46Å
210F89.2Confident90.2Very high15 Ų1517.3 Ų17.37%0.0669%0.09CC..EExtended strand (participates in β ladder)trans-146.8170.6-178.665.2-91.1000110.1V138 M140 F143 M171 C217 V219 F465V138-F210 HydrophobicContact CG1-CD1 4.29Å; V138-F210 HydrophobicContact CG1-CE1 4.22Å; M140-F210 HydrophobicContact CG-CE2 3.83Å; M140-F210 HydrophobicContact CG-CZ 4.29Å; M140-F210 HydrophobicContact SD-CE2 3.57Å; M140-F210 VanDerWaalsContact SD-CE2 3.57Å; M140-F210 HydrophobicContact SD-CZ 3.6Å; F143-F210 HydrophobicContact CE2-CE1 4.13Å; F143-F210 HydrophobicContact CE2-CZ 4.43Å; M171-F210 HydrophobicContact CE-CE1 4.41Å; M171-F210 HydrophobicContact CE-CZ 4.14Å; F210-C217 HydrophobicContact CD1-CB 4.15Å; F210-C217 HydrophobicContact CD2-CB 3.92Å; F210-C217 HydrophobicContact CE1-CB 3.83Å; F210-C217 HydrophobicContact CE2-CB 3.57Å; F210-C217 HydrophobicContact CG-CB 4.2Å; F210-C217 HydrophobicContact CZ-CB 3.52Å; F210-C217 PolarHBondContact N-O 3.4Å; F210-C217 PolarHBondContact O-N 3.08Å; F210-V219 HydrophobicContact CE1-CG2 3.84Å; F210-F465 WeakPolarHBondContact CA-O 3.35Å
211Q86.6Confident90Very high34 Ų3421.1 Ų21.116%0.15911%0.108CC..EExtended strand (participates in β ladder)trans-134152.9-18065-173.6-52.400111.5R215 L216 H461 F462 F465Q211-R215 CarbonylContact C-O 3.51Å; Q211-R215 WeakPolarHBondContact CA-O 3.48Å; Q211-R215 WeakPolarHBondContact CB-O 3.2Å; Q211-L216 HydrophobicContact CB-CD2 3.61Å; Q211-H461 PolarHBondContact NE2-CE1 2.8Å; Q211-H461 PolarHBondContact NE2-NE2 2.67Å; Q211-H461 VanDerWaalsContact NE2-NE2 3.17Å; Q211-F462 PolarHBondContact NE2-O 3.23Å; Q211-F465 HydrophobicContact CB-CB 4.07Å; Q211-F465 HydrophobicContact CG-CB 4.14Å
212T86.5Confident89.7Confident29 Ų2921.4 Ų21.418%0.17811%0.105CC..  trans-108.1-176.6165.569.70000109.3M140 K176 D214 R215M140-T212 HydrophobicContact CG-CG2 3.93Å; K176-T212 VanDerWaalsContact CE-O 3.29Å; K176-T212 WeakPolarHBondContact CE-O 3.42Å; K176-T212 PolarHBondContact NZ-O 2.96Å; T212-D214 PolarHBondContact O-N 3.49Å; T212-D214 PolarHBondContact OG1-N 3.17Å; T212-D214 PolarHBondContact OG1-OD1 2.86Å; T212-R215 PolarHBondContact N-O 2.79Å; T212-R215 VanDerWaalsContact OG1-CB 3.31Å; T212-R215 WeakPolarHBondContact OG1-CB 3.19Å; T212-R215 PolarHBondContact OG1-N 3.4Å
213H84.4Confident89.4Confident65 Ų6521.7 Ų21.730%0.30111%0.107SC..SBendtrans-58.2-32.1174.371.2-84.7000112.9
214D82.4Confident89.2Confident28 Ų2822 Ų2215%0.1511%0.109CC..SBendtrans-121.2-6-176.274-41000114.8K176 T212K176-D214 PolarHBondContact N-O 2.69Å; T212-D214 PolarHBondContact O-N 3.49Å; T212-D214 PolarHBondContact OG1-N 3.17Å; T212-D214 PolarHBondContact OG1-OD1 2.86Å
215R87.3Confident89.3Confident27 Ų2721.5 Ų21.510%0.10211%0.106CC..EExtended strand (participates in β ladder)trans-131.9154.6-173.2-46.8-140.4-173.2-66.7-5.7114.4I173 L174 K175 Q211 T212I173-R215 HydrophobicContact CG2-CB 4.24Å; I173-R215 HydrophobicContact CG2-CG 4.3Å; L174-R215 CarbonylContact O-C 3.49Å; L174-R215 WeakPolarHBondContact O-CA 3.42Å; L174-R215 WeakPolarHBondContact O-CB 3.42Å; K175-R215 VanDerWaalsContact CG-NH1 3.34Å; Q211-R215 CarbonylContact C-O 3.51Å; Q211-R215 WeakPolarHBondContact CA-O 3.48Å; Q211-R215 WeakPolarHBondContact CB-O 3.2Å; T212-R215 PolarHBondContact N-O 2.79Å; T212-R215 VanDerWaalsContact OG1-CB 3.31Å; T212-R215 WeakPolarHBondContact OG1-CB 3.19Å; T212-R215 PolarHBondContact OG1-N 3.4Å
216L87Confident89.3Confident0 Ų020.7 Ų20.70%010%0.097CC..EExtended strand (participates in β ladder)trans-111.8136.1163-59.5178.5000108.7L174 K176 I179 T188 Q211 F462 F465L174-L216 HydrophobicContact CB-CB 4.42Å; L174-L216 PolarHBondContact N-O 3.28Å; L174-L216 PolarHBondContact O-N 2.95Å; K176-L216 HydrophobicContact CG-CD2 4.37Å; K176-L216 HydrophobicContact CG-CG 4.1Å; I179-L216 HydrophobicContact CD1-CD1 3.71Å; I179-L216 HydrophobicContact CD1-CG 4.38Å; T188-L216 HydrophobicContact CG2-CD1 3.57Å; Q211-L216 HydrophobicContact CB-CD2 3.61Å; L216-F462 HydrophobicContact CD1-CD1 3.9Å; L216-F462 HydrophobicContact CD1-CD2 4.01Å; L216-F462 HydrophobicContact CD1-CE1 3.98Å; L216-F462 HydrophobicContact CD1-CE2 4.09Å; L216-F462 HydrophobicContact CD1-CG 3.92Å; L216-F462 HydrophobicContact CD1-CZ 4.09Å; L216-F462 HydrophobicContact CD2-CB 3.97Å; L216-F462 HydrophobicContact CD2-CD2 3.83Å; L216-F462 HydrophobicContact CD2-CG 3.94Å; L216-F462 HydrophobicContact CG-CD2 4.33Å; L216-F465 HydrophobicContact CB-CD1 4.3Å; L216-F465 HydrophobicContact CB-CE1 3.82Å; L216-F465 HydrophobicContact CB-CZ 4.25Å; L216-F465 HydrophobicContact CD1-CE1 4.18Å; L216-F465 HydrophobicContact CD1-CE2 4.08Å; L216-F465 HydrophobicContact CD1-CZ 3.75Å; L216-F465 HydrophobicContact CD2-CD1 3.93Å; L216-F465 HydrophobicContact CD2-CD2 4.13Å; L216-F465 HydrophobicContact CD2-CE1 4.03Å; L216-F465 HydrophobicContact CD2-CE2 4.21Å; L216-F465 HydrophobicContact CD2-CG 3.98Å; L216-F465 HydrophobicContact CD2-CZ 4.17Å; L216-F465 HydrophobicContact CG-CE1 4.23Å; L216-F465 HydrophobicContact CG-CZ 4.28Å
217C89.4Confident89.4Confident0 Ų023.8 Ų23.80%011%0.112CC..EExtended strand (participates in β ladder)trans-126.8125.1-174.3-62.70000110.4M140 K172 S209 F210M140-C217 PolarHBondContact SD-SG 2.79Å; K172-C217 WeakPolarHBondContact O-CA 3.33Å; S209-C217 VanDerWaalsContact CA-O 3.32Å; S209-C217 WeakPolarHBondContact CA-O 3.26Å; F210-C217 HydrophobicContact CD1-CB 4.15Å; F210-C217 HydrophobicContact CD2-CB 3.92Å; F210-C217 HydrophobicContact CE1-CB 3.83Å; F210-C217 HydrophobicContact CE2-CB 3.57Å; F210-C217 HydrophobicContact CG-CB 4.2Å; F210-C217 HydrophobicContact CZ-CB 3.52Å; F210-C217 PolarHBondContact N-O 3.4Å; F210-C217 PolarHBondContact O-N 3.08Å
218F90.4Very high89.6Confident0 Ų021.9 Ų21.90%010%0.103CC..EExtended strand (participates in β ladder)trans-113.5121.6170.6-57.1-93.7000108.8M171 K172 L174 T188 N192 L195 L206 M220 F465M171-F218 CarbonylContact C-O 3.35Å; M171-F218 VanDerWaalsContact CA-O 3.26Å; M171-F218 WeakPolarHBondContact CA-O 3.31Å; K172-F218 HydrophobicContact CB-CB 4.24Å; K172-F218 HydrophobicContact CB-CD2 4.44Å; K172-F218 HydrophobicContact CD-CD2 4.45Å; K172-F218 PolarHBondContact N-O 2.74Å; K172-F218 PolarHBondContact O-N 3.42Å; L174-F218 HydrophobicContact CD1-CD2 4.45Å; L174-F218 HydrophobicContact CD1-CE2 3.81Å; L174-F218 HydrophobicContact CG-CE2 4.49Å; T188-F218 HydrophobicContact CG2-CE2 4.29Å; T188-F218 HydrophobicContact CG2-CZ 4.11Å; N192-F218 HydrophobicContact CB-CE1 3.64Å; N192-F218 HydrophobicContact CB-CZ 4.18Å; L195-F218 HydrophobicContact CD1-CD1 4.33Å; L206-F218 HydrophobicContact CD1-CB 4.01Å; L206-F218 HydrophobicContact CD1-CD1 4.06Å; F218-M220 HydrophobicContact CB-CG 4.2Å; F218-M220 HydrophobicContact CB-SD 4.29Å; F218-F465 HydrophobicContact CD1-CE1 4.41Å; F218-F465 AromaticContact CE1-CE1 3.69Å; F218-F465 HydrophobicContact CE1-CE1 3.69Å; F218-F465 AromaticContact CE1-CZ 3.94Å; F218-F465 HydrophobicContact CE1-CZ 3.94Å; F218-F465 AromaticContact CE2-CE1 3.87Å; F218-F465 HydrophobicContact CE2-CE1 3.87Å; F218-F465 HydrophobicContact CE2-CZ 4.17Å; F218-F465 AromaticContact CZ-CE1 3.41Å; F218-F465 HydrophobicContact CZ-CE1 3.41Å; F218-F465 VanDerWaalsContact CZ-CE1 3.41Å; F218-F465 AromaticContact CZ-CZ 3.45Å; F218-F465 HydrophobicContact CZ-CZ 3.45Å; F218-F465 VanDerWaalsContact CZ-CZ 3.45Å
219V93.3Very high89.6Confident0 Ų025 Ų250%012%0.117CC..EExtended strand (participates in β ladder)trans-103.1110.8174.5-173.50000107.8F143 Y169 M171 K207 Y208 F210F143-V219 HydrophobicContact CE1-CG1 3.99Å; F143-V219 HydrophobicContact CE1-CG2 4.34Å; F143-V219 HydrophobicContact CE2-CG2 4.29Å; F143-V219 HydrophobicContact CZ-CG1 4.24Å; F143-V219 HydrophobicContact CZ-CG2 3.9Å; Y169-V219 VanDerWaalsContact CB-CG1 3.46Å; Y169-V219 HydrophobicContact CD1-CG1 4.1Å; Y169-V219 HydrophobicContact CD2-CG1 4.09Å; Y169-V219 HydrophobicContact CG-CG1 3.63Å; M171-V219 HydrophobicContact CE-CG2 3.78Å; M171-V219 HydrophobicContact CG-CG2 4.2Å; K207-V219 WeakPolarHBondContact CA-O 3.1Å; K207-V219 WeakPolarHBondContact CB-O 3.42Å; K207-V219 PolarHBondContact N-O 2.83Å; Y208-V219 HydrophobicContact CD2-CB 3.83Å; Y208-V219 HydrophobicContact CD2-CG1 3.87Å; Y208-V219 HydrophobicContact CD2-CG2 4.14Å; Y208-V219 HydrophobicContact CG-CB 4.36Å; Y208-V219 PolarHBondContact N-O 2.88Å; Y208-V219 PolarHBondContact O-N 3.44Å; F210-V219 HydrophobicContact CE1-CG2 3.84Å
220M92.9Very high89.7Confident22 Ų2229 Ų2911%0.10814%0.135CC..EExtended strand (participates in β ladder)trans-119.5158.4-169.3-59.3175.9-61.200111Y169 A170 K172 L195 T204 G205 L206 F218 Y222Y169-M220 WeakPolarHBondContact CA-O 3.36Å; Y169-M220 WeakPolarHBondContact CB-O 3.44Å; A170-M220 PolarHBondContact N-O 3.28Å; A170-M220 PolarHBondContact O-N 3.33Å; K172-M220 HydrophobicContact CB-CE 3.78Å; K172-M220 HydrophobicContact CD-CE 4.45Å; L195-M220 HydrophobicContact CD1-SD 4.12Å; T204-M220 HydrophobicContact CG2-CB 3.91Å; G205-M220 CarbonylContact O-C 3.57Å; G205-M220 VanDerWaalsContact O-CA 3.31Å; G205-M220 WeakPolarHBondContact O-CA 3.47Å; L206-M220 HydrophobicContact CD1-CG 3.99Å; F218-M220 HydrophobicContact CB-CG 4.2Å; F218-M220 HydrophobicContact CB-SD 4.29Å; M220-Y222 PolarHBondContact O-N 3.37Å
221E91.7Very high89.9Confident90 Ų9028.2 Ų28.242%0.42113%0.132SC..EExtended strand (participates in β ladder)trans-51.1136.7169.1-71.7-176.5162.400110.8T204 G205 K282T204-E221 HydrophobicContact CG2-CB 4.25Å; G205-E221 PolarHBondContact N-OE2 2.66Å; G205-E221 PolarHBondContact O-N 3.18Å; E221-K282 IonicContact OE2-NZ 3.53Å; E221-K282 PolarHBondContact OE2-NZ 3.13Å
222Y90.5Very high90.3Very high38 Ų3827 Ų2715%0.14913%0.126CC..  trans-97.2119.5-179.4177.6-129.1000111L149 L159 A170 M220 N224 E425 F431L149-Y222 HydrophobicContact CD1-CD2 3.87Å; L149-Y222 HydrophobicContact CD1-CE2 3.46Å; L149-Y222 VanDerWaalsContact CD1-CE2 3.46Å; L149-Y222 HydrophobicContact CD2-CE2 4.08Å; L149-Y222 HydrophobicContact CG-CE2 4.42Å; L159-Y222 HydrophobicContact CD1-CD1 3.54Å; L159-Y222 HydrophobicContact CD1-CD2 4.16Å; L159-Y222 HydrophobicContact CD1-CE1 3.53Å; L159-Y222 HydrophobicContact CD1-CE2 4.18Å; L159-Y222 HydrophobicContact CD1-CG 3.86Å; L159-Y222 HydrophobicContact CD2-CE1 4.21Å; L159-Y222 HydrophobicContact CG-CE1 4.49Å; A170-Y222 HydrophobicContact CB-CD2 4.25Å; M220-Y222 PolarHBondContact O-N 3.37Å; Y222-N224 HydrophobicContact CD1-CB 4.11Å; Y222-N224 HydrophobicContact CE1-CB 3.46Å; Y222-N224 VanDerWaalsContact CE1-CB 3.46Å; Y222-E425 VanDerWaalsContact CE1-O 3.32Å; Y222-E425 WeakPolarHBondContact CE1-O 3.31Å; Y222-F431 HydrophobicContact CE2-CE1 4.28Å; Y222-F431 AromaticContact CE2-CE2 3.95Å; Y222-F431 HydrophobicContact CE2-CE2 3.95Å; Y222-F431 AromaticContact CE2-CZ 3.46Å; Y222-F431 HydrophobicContact CE2-CZ 3.46Å; Y222-F431 VanDerWaalsContact CE2-CZ 3.46Å; Y222-F431 AromaticContact CZ-CE2 3.81Å; Y222-F431 AromaticContact CZ-CZ 3.83Å; Y222-F431 WeakPolarHBondContact OH-CE2 3.24Å; Y222-F431 WeakPolarHBondContact OH-CZ 3.45Å
223A91.1Very high90.5Very high7 Ų729 Ų296%0.05814%0.142CC..  trans-97.6106.7171.800000109.5M274 K282A223-M274 HydrophobicContact CB-CB 3.88Å; A223-M274 HydrophobicContact CB-CE 4.49Å; A223-M274 HydrophobicContact CB-SD 4.3Å; A223-M274 WeakPolarHBondContact O-CE 3.4Å; A223-K282 HydrophobicContact CB-CB 4.15Å; A223-K282 HydrophobicContact CB-CG 4.28Å
224N90.7Very high90.7Very high9 Ų932.2 Ų32.25%0.04815%0.151CC..  trans-94.4-0.4-176.472.5-24.8000114.1Y222 G226 K277 V422 S424Y222-N224 HydrophobicContact CD1-CB 4.11Å; Y222-N224 HydrophobicContact CE1-CB 3.46Å; Y222-N224 VanDerWaalsContact CE1-CB 3.46Å; N224-G226 PolarHBondContact O-N 3.44Å; N224-K277 WeakPolarHBondContact OD1-CA 3.38Å; N224-K277 VanDerWaalsContact OD1-CB 3.28Å; N224-K277 WeakPolarHBondContact OD1-CB 3.48Å; N224-K277 PolarHBondContact OD1-N 2.62Å; N224-V422 WeakPolarHBondContact O-CG1 3.35Å; N224-S424 PolarHBondContact ND2-O 2.92Å
225G92.4Very high91.2Very high0 Ų033.8 Ų33.80%016%0.159CC..SBendtrans-74.7-8178.100000113.8H231 L275G225-H231 PolarHBondContact O-CE1 2.92Å; G225-H231 PolarHBondContact O-NE2 3.08Å; G225-L275 WeakPolarHBondContact CA-O 3.39Å; G225-L275 PolarHBondContact N-O 3.49Å
226G90.5Very high91.5Very high0 Ų042 Ų420%019%0.19CC..  trans88.7168.2177.900000114.3N224 M274 L275N224-G226 PolarHBondContact O-N 3.44Å; G226-M274 CarbonylContact O-C 3.53Å; G226-M274 WeakPolarHBondContact O-CA 3.49Å; G226-L275 PolarHBondContact O-N 3.01Å
227E91.3Very high92Very high77 Ų7745.2 Ų45.236%0.3621%0.21SC..BIsolated β-bridgetrans-69.1142.9175.6-66172.7-154.800111.3F229 F230 H231 M274E227-F229 PolarHBondContact O-N 3.07Å; E227-F230 WeakPolarHBondContact O-CB 3.42Å; E227-F230 PolarHBondContact O-N 2.94Å; E227-F230 VanDerWaalsContact O-N 3.12Å; E227-H231 PolarHBondContact O-CD2 3.48Å; E227-H231 PolarHBondContact O-N 3.41Å; E227-M274 HydrophobicContact CG-CE 4.4Å; E227-M274 HydrophobicContact CG-CG 4.39Å
228L94.4Very high92.4Very high0 Ų045.5 Ų45.50%021%0.211CC..Hα-helixtrans-65.2-32.7177.8-161.564.9000110.9F230 H231 L232 F238 Y246 L270 L273 L275 I281 M335L228-F230 VanDerWaalsContact C-N 3.31Å; L228-F230 PolarHBondContact O-N 2.91Å; L228-H231 PolarHBondContact O-N 3.35Å; L228-L232 WeakPolarHBondContact O-CB 3.33Å; L228-L232 PolarHBondContact O-N 2.96Å; L228-F238 HydrophobicContact CD1-CE2 3.78Å; L228-F238 HydrophobicContact CD1-CZ 4.15Å; L228-F238 HydrophobicContact CG-CE2 4.02Å; L228-Y246 HydrophobicContact CD1-CD2 4.05Å; L228-Y246 HydrophobicContact CD1-CE2 3.77Å; L228-Y246 HydrophobicContact CD2-CD2 4.4Å; L228-L270 HydrophobicContact CD2-CD2 3.98Å; L228-L270 HydrophobicContact CG-CD2 4.32Å; L228-L273 HydrophobicContact CB-CB 3.93Å; L228-L273 VanDerWaalsContact CB-O 3.31Å; L228-L273 WeakPolarHBondContact CB-O 3.13Å; L228-L273 HydrophobicContact CD2-CB 4.1Å; L228-L273 HydrophobicContact CD2-CD1 4.03Å; L228-L273 PolarHBondContact N-O 2.69Å; L228-L275 HydrophobicContact CD1-CD1 4.39Å; L228-L275 HydrophobicContact CD1-CD2 4.16Å; L228-L275 HydrophobicContact CD1-CG 4.3Å; L228-I281 HydrophobicContact CD2-CD1 4.04Å; L228-M335 HydrophobicContact CD2-SD 3.89Å
229F90.8Very high92.8Very high84 Ų8448.8 Ų48.837%0.36823%0.234SC..Hα-helixtrans-53.7-44.7170.2179.3-102000112.7E227 L232 S233 L270 E271E227-F229 PolarHBondContact O-N 3.07Å; F229-L232 PolarHBondContact O-N 2.9Å; F229-S233 VanDerWaalsContact O-CB 3.27Å; F229-S233 WeakPolarHBondContact O-CB 3.5Å; F229-S233 PolarHBondContact O-N 3.41Å; F229-S233 PolarHBondContact O-OG 3.49Å; F229-L270 HydrophobicContact CB-CB 3.88Å; F229-L270 HydrophobicContact CD2-CB 4.35Å; F229-L270 HydrophobicContact CD2-CD1 4.4Å; F229-L270 PolarHBondContact N-O 3Å; F229-E271 HydrophobicContact CB-CG 4.47Å
230F90.1Very high93Very high83 Ų8351.2 Ų51.236%0.36425%0.245SC..Hα-helixtrans-62-46.5177.8174.4-88.2000111.5E227 L228 S233 R234 Y430E227-F230 WeakPolarHBondContact O-CB 3.42Å; E227-F230 PolarHBondContact O-N 2.94Å; E227-F230 VanDerWaalsContact O-N 3.12Å; L228-F230 VanDerWaalsContact C-N 3.31Å; L228-F230 PolarHBondContact O-N 2.91Å; F230-S233 PolarHBondContact O-N 2.81Å; F230-R234 PolarHBondContact O-N 2.96Å; F230-Y430 HydrophobicContact CD1-CD1 4.1Å; F230-Y430 AromaticContact CE1-CD1 3.62Å; F230-Y430 HydrophobicContact CE1-CD1 3.62Å; F230-Y430 HydrophobicContact CE1-CE1 4.19Å; F230-Y430 HydrophobicContact CZ-CD1 4.38Å
231H93.9Very high93.3Very high0 Ų056.8 Ų56.80%027%0.271CS..Hα-helixtrans-66.1-41.6179.9-67.3-66.8000112.2G225 E227 L228 R234 D235 F238 F418 Y430G225-H231 PolarHBondContact O-CE1 2.92Å; G225-H231 PolarHBondContact O-NE2 3.08Å; E227-H231 PolarHBondContact O-CD2 3.48Å; E227-H231 PolarHBondContact O-N 3.41Å; L228-H231 PolarHBondContact O-N 3.35Å; H231-R234 PolarHBondContact O-N 3.29Å; H231-D235 WeakPolarHBondContact O-CB 3.27Å; H231-D235 PolarHBondContact O-N 2.89Å; H231-F238 HydrophobicContact CB-CE1 4.39Å; H231-F238 HydrophobicContact CB-CZ 3.94Å; H231-F418 AromaticContact CE1-CE1 3.51Å; H231-F418 AromaticContact CE1-CZ 3.7Å; H231-F418 AromaticContact ND1-CE1 3.63Å; H231-F418 AromaticContact ND1-CZ 3.67Å; H231-Y430 AromaticContact CE1-CD1 3.82Å; H231-Y430 AromaticContact CE1-CE1 3.77Å
232L94.4Very high93.6Very high9 Ų953.6 Ų53.65%0.04726%0.255CS..Hα-helixtrans-67.5-41.2177.9-174.464.7000111.4L228 F229 R234 D235 R236 F238 L270 E334L228-L232 WeakPolarHBondContact O-CB 3.33Å; L228-L232 PolarHBondContact O-N 2.96Å; F229-L232 PolarHBondContact O-N 2.9Å; L232-R234 PolarHBondContact O-N 3.45Å; L232-D235 PolarHBondContact O-N 3.25Å; L232-R236 CarbonylContact O-C 3.58Å; L232-R236 WeakPolarHBondContact O-CA 3.16Å; L232-R236 PolarHBondContact O-N 3.46Å; L232-F238 HydrophobicContact CB-CE1 4.17Å; L232-F238 HydrophobicContact CB-CE2 4.23Å; L232-F238 HydrophobicContact CB-CZ 3.79Å; L232-F238 HydrophobicContact CD1-CD1 3.81Å; L232-F238 HydrophobicContact CD1-CD2 4.09Å; L232-F238 HydrophobicContact CD1-CE1 3.9Å; L232-F238 HydrophobicContact CD1-CE2 4.16Å; L232-F238 HydrophobicContact CD1-CG 3.91Å; L232-F238 HydrophobicContact CD1-CZ 4.08Å; L232-L270 HydrophobicContact CD2-CD1 3.42Å; L232-L270 VanDerWaalsContact CD2-CD1 3.42Å; L232-E334 HydrophobicContact CD2-CG 3.86Å
233S90.6Very high94Very high71 Ų7151.8 Ų51.850%0.49725%0.248SC..Hα-helixtrans-58-37.7176.6-66.50000112.1F229 F230F229-S233 VanDerWaalsContact O-CB 3.27Å; F229-S233 WeakPolarHBondContact O-CB 3.5Å; F229-S233 PolarHBondContact O-N 3.41Å; F229-S233 PolarHBondContact O-OG 3.49Å; F230-S233 PolarHBondContact O-N 2.81Å
234R90.3Very high94.4Very high131 Ų13154.4 Ų54.449%0.49426%0.256SS..Hα-helixtrans-75.4-46.9177.3-169.4-177.269.1-168.9-4.9112.9F230 H231 L232 R236F230-R234 PolarHBondContact O-N 2.96Å; H231-R234 PolarHBondContact O-N 3.29Å; L232-R234 PolarHBondContact O-N 3.45Å; R234-R236 VanDerWaalsContact C-N 3.27Å; R234-R236 PolarHBondContact O-N 3.49Å
235D92.4Very high94.8Very high61 Ų6154.7 Ų54.733%0.32626%0.257SS..Hα-helixtrans-82.7-9.6-174.9-62.2-3.8000112.1H231 L232 V237 F238 R242H231-D235 WeakPolarHBondContact O-CB 3.27Å; H231-D235 PolarHBondContact O-N 2.89Å; L232-D235 PolarHBondContact O-N 3.25Å; D235-V237 PolarHBondContact O-N 2.86Å; D235-F238 HydrophobicContact CB-CD1 4.27Å; D235-F238 HydrophobicContact CB-CE1 4.05Å; D235-R242 IonicContact OD2-CZ 3.95Å; D235-R242 IonicContact OD2-NH1 2.95Å; D235-R242 PolarHBondContact OD2-NH1 3.24Å; D235-R242 IonicContact OD2-NH2 2.71Å
236R94.3Very high95.1Very high200 Ų20054.7 Ų54.776%0.75526%0.257SS*.SBendtrans64.7-44.2-175.2-55.6-177.9178-169.8-1.8114.9L232 R234 G338L232-R236 CarbonylContact O-C 3.58Å; L232-R236 WeakPolarHBondContact O-CA 3.16Å; L232-R236 PolarHBondContact O-N 3.46Å; R234-R236 VanDerWaalsContact C-N 3.27Å; R234-R236 PolarHBondContact O-N 3.49Å; R236-G338 WeakPolarHBondContact O-CA 3.49Å
237V96.7Very high95.5Very high68 Ų6854.7 Ų54.741%0.41226%0.257SS..SBendtrans-146.5139.8-178.3-179.70000108.4D235 M336D235-V237 PolarHBondContact O-N 2.86Å; V237-M336 VanDerWaalsContact CG1-O 3.27Å; V237-M336 WeakPolarHBondContact CG1-O 3.26Å
238F98.3Very high95.8Very high6 Ų651 Ų513%0.02624%0.24CC..  trans-91.9147.8167.7-64.1-18.5000111.1L228 H231 L232 D235 R242 Y246 M335L228-F238 HydrophobicContact CD1-CE2 3.78Å; L228-F238 HydrophobicContact CD1-CZ 4.15Å; L228-F238 HydrophobicContact CG-CE2 4.02Å; H231-F238 HydrophobicContact CB-CE1 4.39Å; H231-F238 HydrophobicContact CB-CZ 3.94Å; L232-F238 HydrophobicContact CB-CE1 4.17Å; L232-F238 HydrophobicContact CB-CE2 4.23Å; L232-F238 HydrophobicContact CB-CZ 3.79Å; L232-F238 HydrophobicContact CD1-CD1 3.81Å; L232-F238 HydrophobicContact CD1-CD2 4.09Å; L232-F238 HydrophobicContact CD1-CE1 3.9Å; L232-F238 HydrophobicContact CD1-CE2 4.16Å; L232-F238 HydrophobicContact CD1-CG 3.91Å; L232-F238 HydrophobicContact CD1-CZ 4.08Å; D235-F238 HydrophobicContact CB-CD1 4.27Å; D235-F238 HydrophobicContact CB-CE1 4.05Å; F238-R242 HydrophobicContact CB-CB 4.24Å; F238-R242 HydrophobicContact CB-CG 4.15Å; F238-R242 HydrophobicContact CD2-CG 4.3Å; F238-R242 HydrophobicContact CG-CG 4.16Å; F238-Y246 HydrophobicContact CD2-CD2 4.15Å; F238-Y246 HydrophobicContact CD2-CE2 4Å; F238-Y246 HydrophobicContact CE2-CD2 4.17Å; F238-Y246 AromaticContact CE2-CE2 3.82Å; F238-Y246 HydrophobicContact CE2-CE2 3.82Å; F238-M335 HydrophobicContact CB-CB 4.44Å; F238-M335 HydrophobicContact CD2-CB 3.97Å; F238-M335 HydrophobicContact CD2-CG 3.73Å; F238-M335 HydrophobicContact CD2-SD 3.85Å; F238-M335 HydrophobicContact CE2-CG 4.11Å; F238-M335 HydrophobicContact CE2-SD 4.18Å; F238-M335 PolarHBondContact N-O 2.94Å
239S98.3Very high96Very high69 Ų6951.1 Ų51.148%0.48324%0.241SC..  trans-62.7154.9169.865.60000110.6E241 R242 A243S239-E241 PolarHBondContact O-N 3.19Å; S239-R242 PolarHBondContact O-N 2.98Å; S239-R242 VanDerWaalsContact O-N 3.07Å; S239-R242 WeakPolarHBondContact OG-CB 3.27Å; S239-R242 PolarHBondContact OG-N 2.99Å; S239-A243 PolarHBondContact O-N 3.4Å
240E98.4Very high96.4Very high50 Ų5047.1 Ų47.123%0.23422%0.223CC..Hα-helixtrans-58.2-31.8175.3-64.6-168-168.200112.3R244 M336 G366 A369 F400E240-R244 WeakPolarHBondContact O-CB 3.09Å; E240-R244 PolarHBondContact O-N 3.49Å; E240-M336 HydrophobicContact CB-SD 4.37Å; E240-M336 HydrophobicContact CG-SD 3.92Å; E240-G366 WeakPolarHBondContact OE1-CA 3.26Å; E240-G366 PolarHBondContact OE1-N 2.7Å; E240-A369 HydrophobicContact CG-CB 4.38Å; E240-F400 HydrophobicContact CB-CE2 4.26Å
241E98.1Very high96.8Very high139 Ų13943.2 Ų43.265%0.6521%0.206SC*.Hα-helixtrans-65.9-44174.8-174.7179.1-174.900112.4S239 R244 F245S239-E241 PolarHBondContact O-N 3.19Å; E241-R244 PolarHBondContact O-N 2.94Å; E241-F245 PolarHBondContact O-N 3.43Å
242R98.4Very high97.1Very high23 Ų2343.8 Ų43.89%0.08721%0.21CC..Hα-helixtrans-67-42.8176179.9170.4-174.4-165.5-2.8111.6D235 F238 S239 R244 F245 Y246 P417D235-R242 IonicContact OD2-CZ 3.95Å; D235-R242 IonicContact OD2-NH1 2.95Å; D235-R242 PolarHBondContact OD2-NH1 3.24Å; D235-R242 IonicContact OD2-NH2 2.71Å; F238-R242 HydrophobicContact CB-CB 4.24Å; F238-R242 HydrophobicContact CB-CG 4.15Å; F238-R242 HydrophobicContact CD2-CG 4.3Å; F238-R242 HydrophobicContact CG-CG 4.16Å; S239-R242 PolarHBondContact O-N 2.98Å; S239-R242 VanDerWaalsContact O-N 3.07Å; S239-R242 WeakPolarHBondContact OG-CB 3.27Å; S239-R242 PolarHBondContact OG-N 2.99Å; R242-R244 VanDerWaalsContact C-N 3.32Å; R242-R244 PolarHBondContact O-N 3.09Å; R242-F245 PolarHBondContact O-N 2.92Å; R242-Y246 HydrophobicContact CG-CD2 4Å; R242-Y246 HydrophobicContact CG-CE2 3.41Å; R242-Y246 VanDerWaalsContact CG-CE2 3.41Å; R242-Y246 PolarHBondContact NE-OH 3.32Å; R242-Y246 VanDerWaalsContact NE-OH 3.11Å; R242-Y246 PolarHBondContact NH2-OH 3.42Å; R242-Y246 WeakPolarHBondContact O-CD2 3.43Å; R242-Y246 PolarHBondContact O-N 2.91Å; R242-Y246 VanDerWaalsContact O-N 3.16Å; R242-P417 HydrophobicContact CB-CB 4.42Å; R242-P417 HydrophobicContact CB-CG 4.11Å; R242-P417 HydrophobicContact CG-CB 4.48Å; R242-P417 HydrophobicContact CG-CG 3.86Å
243A98.6Very high97.2Very high0 Ų043.4 Ų43.40%021%0.208CC..Hα-helixtrans-64.9-34.7174.900000112.3S239 G247 M335 M336S239-A243 PolarHBondContact O-N 3.4Å; A243-G247 WeakPolarHBondContact O-CA 3.3Å; A243-G247 PolarHBondContact O-N 3.39Å; A243-M335 HydrophobicContact CB-CB 4.15Å; A243-M335 HydrophobicContact CB-CE 4.33Å; A243-M336 HydrophobicContact CB-CG 3.51Å; A243-M336 HydrophobicContact CB-SD 4.1Å
244R98.8Very high97.5Very high62 Ų6240 Ų4023%0.23418%0.184CC..Hα-helixtrans-64.3-43.7173.7-175.9-172.1-60.1109.19.6111.9E240 E241 R242 A248 F400 F401 I404E240-R244 WeakPolarHBondContact O-CB 3.09Å; E240-R244 PolarHBondContact O-N 3.49Å; E241-R244 PolarHBondContact O-N 2.94Å; R242-R244 VanDerWaalsContact C-N 3.32Å; R242-R244 PolarHBondContact O-N 3.09Å; R244-A248 WeakPolarHBondContact O-CB 3.21Å; R244-A248 PolarHBondContact O-N 3.3Å; R244-F400 HydrophobicContact CB-CD1 4.5Å; R244-F400 HydrophobicContact CB-CE1 3.62Å; R244-F400 HydrophobicContact CB-CZ 3.83Å; R244-F400 WeakPolarHBondContact CD-O 3.45Å; R244-F400 HydrophobicContact CG-CD1 4.3Å; R244-F400 HydrophobicContact CG-CE1 3.87Å; R244-F400 HydrophobicContact CG-CZ 4.45Å; R244-F400 PolarHBondContact NE-O 3.46Å; R244-F401 HydrophobicContact CG-CD1 3.8Å; R244-F401 HydrophobicContact CG-CE1 4.09Å; R244-I404 HydrophobicContact CG-CD1 4.46Å; R244-I404 HydrophobicContact CG-CG1 4.48Å
245F98.8Very high97.8Very high16 Ų1636 Ų367%0.0717%0.173CC..Hα-helixtrans-58.8-55.5176176.2-88.8000111E241 R242 G247 A248 E249 H280 L414 P416 P417E241-F245 PolarHBondContact O-N 3.43Å; R242-F245 PolarHBondContact O-N 2.92Å; F245-G247 PolarHBondContact O-N 3.44Å; F245-A248 PolarHBondContact O-N 3.15Å; F245-E249 HydrophobicContact CE1-CG 4.47Å; F245-E249 WeakPolarHBondContact CZ-OE1 3.26Å; F245-E249 PolarHBondContact O-N 3.44Å; F245-H280 AromaticContact CZ-ND1 3.71Å; F245-L414 HydrophobicContact CD2-CB 4.11Å; F245-L414 HydrophobicContact CE2-CB 3.67Å; F245-P416 HydrophobicContact CE1-CB 4.2Å; F245-P416 HydrophobicContact CE1-CG 4.49Å; F245-P416 HydrophobicContact CZ-CB 3.93Å; F245-P416 HydrophobicContact CZ-CG 3.83Å; F245-P417 HydrophobicContact CB-CG 4.05Å; F245-P417 VanDerWaalsContact CD1-CD 3.41Å; F245-P417 HydrophobicContact CD1-CG 4.06Å; F245-P417 VanDerWaalsContact CG-CD 3.42Å; F245-P417 HydrophobicContact CG-CG 4.04Å
246Y98.8Very high98Very high0 Ų033.4 Ų33.40%016%0.158CC..Hα-helixtrans-64.4-41.1179.7-60.6-40000112.5L228 F238 R242 A248 E249 I250 L275 I281 M335L228-Y246 HydrophobicContact CD1-CD2 4.05Å; L228-Y246 HydrophobicContact CD1-CE2 3.77Å; L228-Y246 HydrophobicContact CD2-CD2 4.4Å; F238-Y246 HydrophobicContact CD2-CD2 4.15Å; F238-Y246 HydrophobicContact CD2-CE2 4Å; F238-Y246 HydrophobicContact CE2-CD2 4.17Å; F238-Y246 AromaticContact CE2-CE2 3.82Å; F238-Y246 HydrophobicContact CE2-CE2 3.82Å; R242-Y246 HydrophobicContact CG-CD2 4Å; R242-Y246 HydrophobicContact CG-CE2 3.41Å; R242-Y246 VanDerWaalsContact CG-CE2 3.41Å; R242-Y246 PolarHBondContact NE-OH 3.32Å; R242-Y246 VanDerWaalsContact NE-OH 3.11Å; R242-Y246 PolarHBondContact NH2-OH 3.42Å; R242-Y246 WeakPolarHBondContact O-CD2 3.43Å; R242-Y246 PolarHBondContact O-N 2.91Å; R242-Y246 VanDerWaalsContact O-N 3.16Å; Y246-A248 VanDerWaalsContact C-N 3.3Å; Y246-A248 PolarHBondContact O-N 3.49Å; Y246-E249 PolarHBondContact O-N 3.38Å; Y246-I250 WeakPolarHBondContact O-CD1 3.49Å; Y246-I250 VanDerWaalsContact O-CG1 3.22Å; Y246-I250 WeakPolarHBondContact O-CG1 3.18Å; Y246-I250 PolarHBondContact O-N 3.26Å; Y246-L275 HydrophobicContact CD1-CD2 4.36Å; Y246-L275 HydrophobicContact CE1-CD2 3.74Å; Y246-I281 HydrophobicContact CD1-CD1 3.79Å; Y246-I281 HydrophobicContact CD1-CG1 3.76Å; Y246-I281 HydrophobicContact CG-CD1 4.04Å; Y246-I281 HydrophobicContact CG-CG1 4.26Å; Y246-M335 HydrophobicContact CD2-SD 3.94Å
247G98.8Very high97.6Very high0 Ų023.9 Ų23.90%012%0.122CC..Hα-helixtrans-59-39.8176.100000112.5A243 F245 I250 V251A243-G247 WeakPolarHBondContact O-CA 3.3Å; A243-G247 PolarHBondContact O-N 3.39Å; F245-G247 PolarHBondContact O-N 3.44Å; G247-I250 PolarHBondContact O-N 3.13Å; G247-V251 WeakPolarHBondContact O-CB 3.2Å; G247-V251 VanDerWaalsContact O-CG2 3.22Å; G247-V251 WeakPolarHBondContact O-CG2 3.46Å; G247-V251 PolarHBondContact O-N 3.34Å
248A98.9Very high97.2Very high0 Ų020.6 Ų20.60%010%0.103CC..Hα-helixtrans-65.5-42.217700000112.2R244 F245 Y246 V251 S252 F401 I404 W406 V409R244-A248 WeakPolarHBondContact O-CB 3.21Å; R244-A248 PolarHBondContact O-N 3.3Å; F245-A248 PolarHBondContact O-N 3.15Å; Y246-A248 VanDerWaalsContact C-N 3.3Å; Y246-A248 PolarHBondContact O-N 3.49Å; A248-V251 PolarHBondContact O-N 3.16Å; A248-S252 WeakPolarHBondContact O-CB 3.43Å; A248-S252 PolarHBondContact O-N 3.28Å; A248-F401 HydrophobicContact CB-CD1 4.27Å; A248-F401 HydrophobicContact CB-CE1 4.14Å; A248-I404 HydrophobicContact CB-CG2 4.36Å; A248-W406 HydrophobicContact CB-CH2 4.07Å; A248-W406 HydrophobicContact CB-CZ3 4.01Å; A248-W406 WeakPolarHBondContact O-CZ3 3.48Å; A248-V409 HydrophobicContact CB-CG1 4.48Å; A248-V409 HydrophobicContact CB-CG2 4.11Å
249E98.9Very high96.7Very high2 Ų223.3 Ų23.31%0.00913%0.126CC..Hα-helixtrans-65.2-39.6176.8-63.7-170.1149.700112.3F202 F245 Y246 S252 A253 H280 I281 V409F202-E249 HydrophobicContact CD1-CB 4.19Å; F202-E249 HydrophobicContact CD1-CG 4.31Å; F202-E249 HydrophobicContact CD2-CB 3.69Å; F202-E249 HydrophobicContact CD2-CG 4.17Å; F202-E249 WeakPolarHBondContact CD2-O 3.5Å; F202-E249 HydrophobicContact CE1-CB 4.22Å; F202-E249 VanDerWaalsContact CE1-CD 3.43Å; F202-E249 HydrophobicContact CE1-CG 3.86Å; F202-E249 WeakPolarHBondContact CE1-OE1 3.44Å; F202-E249 HydrophobicContact CE2-CB 3.79Å; F202-E249 HydrophobicContact CE2-CG 3.76Å; F202-E249 HydrophobicContact CG-CB 3.93Å; F202-E249 HydrophobicContact CG-CG 4.46Å; F202-E249 HydrophobicContact CZ-CB 4.04Å; F202-E249 HydrophobicContact CZ-CG 3.57Å; F202-E249 WeakPolarHBondContact CZ-OE1 3.38Å; F245-E249 HydrophobicContact CE1-CG 4.47Å; F245-E249 WeakPolarHBondContact CZ-OE1 3.26Å; F245-E249 PolarHBondContact O-N 3.44Å; Y246-E249 PolarHBondContact O-N 3.38Å; E249-S252 PolarHBondContact O-N 3.13Å; E249-A253 PolarHBondContact O-N 3.01Å; E249-A253 VanDerWaalsContact O-N 3.07Å; E249-H280 IonicContact OE1-CE1 2.62Å; E249-H280 IonicContact OE1-CG 3.32Å; E249-H280 IonicContact OE1-ND1 2.73Å; E249-H280 PolarHBondContact OE1-ND1 3.46Å; E249-I281 HydrophobicContact CB-CB 4.07Å; E249-I281 HydrophobicContact CB-CG1 4.19Å; E249-I281 WeakPolarHBondContact OE2-CB 3.13Å; E249-I281 WeakPolarHBondContact OE2-CG1 3.22Å; E249-I281 PolarHBondContact OE2-N 2.84Å; E249-V409 HydrophobicContact CG-CG1 4.32Å
250I98.8Very high96.1Very high0 Ų025.7 Ų25.70%013%0.13CC..Hα-helixtrans-65-46.7175.5-64.4162.5000110.6Y246 G247 S252 A253 L254 L268 L273 I281 L328 V331Y246-I250 WeakPolarHBondContact O-CD1 3.49Å; Y246-I250 VanDerWaalsContact O-CG1 3.22Å; Y246-I250 WeakPolarHBondContact O-CG1 3.18Å; Y246-I250 PolarHBondContact O-N 3.26Å; G247-I250 PolarHBondContact O-N 3.13Å; I250-S252 VanDerWaalsContact C-N 3.32Å; I250-S252 PolarHBondContact O-N 3.29Å; I250-A253 PolarHBondContact O-N 3.36Å; I250-A253 VanDerWaalsContact O-N 3.14Å; I250-L254 HydrophobicContact CG2-CD1 3.86Å; I250-L254 HydrophobicContact CG2-CG 4.28Å; I250-L254 WeakPolarHBondContact O-CG 3.35Å; I250-L254 PolarHBondContact O-N 3.33Å; I250-L268 HydrophobicContact CG2-CD1 4.03Å; I250-L268 HydrophobicContact CG2-CD2 3.95Å; I250-L273 HydrophobicContact CD1-CD1 3.68Å; I250-L273 HydrophobicContact CD1-CD2 4.1Å; I250-L273 HydrophobicContact CG1-CD2 4.04Å; I250-I281 HydrophobicContact CG1-CG1 4.47Å; I250-I281 HydrophobicContact CG1-CG2 4.1Å; I250-L328 HydrophobicContact CB-CD1 4.19Å; I250-L328 HydrophobicContact CG2-CD1 3.8Å; I250-V331 HydrophobicContact CD1-CG1 4.29Å
251V98.8Very high95.3Very high0 Ų027.8 Ų27.80%014%0.135CC..Hα-helixtrans-58-45.3176.5168.40000110.8G247 A248 A253 L254 D255 W325 L328 A392 I395 M396 W406G247-V251 WeakPolarHBondContact O-CB 3.2Å; G247-V251 VanDerWaalsContact O-CG2 3.22Å; G247-V251 WeakPolarHBondContact O-CG2 3.46Å; G247-V251 PolarHBondContact O-N 3.34Å; A248-V251 PolarHBondContact O-N 3.16Å; V251-A253 VanDerWaalsContact C-N 3.29Å; V251-A253 PolarHBondContact O-N 3.14Å; V251-L254 PolarHBondContact O-N 3Å; V251-D255 WeakPolarHBondContact O-CB 3.49Å; V251-D255 PolarHBondContact O-N 3.21Å; V251-W325 HydrophobicContact CG2-CZ3 4.35Å; V251-L328 HydrophobicContact CG2-CD2 3.45Å; V251-L328 VanDerWaalsContact CG2-CD2 3.45Å; V251-A392 HydrophobicContact CG1-CB 4.49Å; V251-I395 HydrophobicContact CG1-CG2 4.48Å; V251-I395 HydrophobicContact CG2-CG2 3.81Å; V251-M396 HydrophobicContact CG1-CG 3.8Å; V251-W406 HydrophobicContact CB-CH2 4Å; V251-W406 HydrophobicContact CB-CZ3 3.84Å; V251-W406 HydrophobicContact CG1-CH2 3.75Å; V251-W406 HydrophobicContact CG1-CZ3 3.63Å
252S98.8Very high94.4Very high13 Ų1323.3 Ų23.39%0.09112%0.116CC..Hα-helixtrans-58.8-40.5176.6-1790000112.3H200 A248 E249 I250 Y256H200-S252 PolarHBondContact CE1-OG 3.05Å; H200-S252 PolarHBondContact NE2-O 2.85Å; H200-S252 PolarHBondContact NE2-OG 3.09Å; A248-S252 WeakPolarHBondContact O-CB 3.43Å; A248-S252 PolarHBondContact O-N 3.28Å; E249-S252 PolarHBondContact O-N 3.13Å; I250-S252 VanDerWaalsContact C-N 3.32Å; I250-S252 PolarHBondContact O-N 3.29Å; S252-Y256 PolarHBondContact O-N 3.42Å
253A97.9Very high93.5Very high0 Ų022.4 Ų22.40%011%0.113CC..Hα-helixtrans-71.5-39.6179.600000113H200 F202 L203 E249 I250 V251 L257 I283H200-A253 VanDerWaalsContact CE1-CA 3.5Å; H200-A253 WeakPolarHBondContact CE1-CA 3.28Å; F202-A253 HydrophobicContact CB-CB 4.18Å; L203-A253 HydrophobicContact CD2-CB 3.88Å; L203-A253 HydrophobicContact CG-CB 4.33Å; E249-A253 PolarHBondContact O-N 3.01Å; E249-A253 VanDerWaalsContact O-N 3.07Å; I250-A253 PolarHBondContact O-N 3.36Å; I250-A253 VanDerWaalsContact O-N 3.14Å; V251-A253 VanDerWaalsContact C-N 3.29Å; V251-A253 PolarHBondContact O-N 3.14Å; A253-L257 WeakPolarHBondContact O-CG 3.5Å; A253-L257 PolarHBondContact O-N 2.76Å; A253-L257 VanDerWaalsContact O-N 3.13Å; A253-I283 HydrophobicContact CB-CD1 3.65Å
254L96.7Very high92.7Very high0 Ų022.4 Ų22.40%011%0.113CC..Hα-helixtrans-69.3-41.4177.3-69.1175.2000111.6I250 V251 Y256 L257 H258 L268 D324 W325I250-L254 HydrophobicContact CG2-CD1 3.86Å; I250-L254 HydrophobicContact CG2-CG 4.28Å; I250-L254 WeakPolarHBondContact O-CG 3.35Å; I250-L254 PolarHBondContact O-N 3.33Å; V251-L254 PolarHBondContact O-N 3Å; L254-Y256 VanDerWaalsContact C-N 3.31Å; L254-Y256 PolarHBondContact O-N 2.83Å; L254-L257 HydrophobicContact CD2-CD1 4.44Å; L254-L257 PolarHBondContact O-N 2.82Å; L254-L257 VanDerWaalsContact O-N 3.1Å; L254-H258 WeakPolarHBondContact O-CB 3.33Å; L254-H258 PolarHBondContact O-CD2 3.32Å; L254-H258 VanDerWaalsContact O-CG 3.3Å; L254-H258 PolarHBondContact O-N 3.11Å; L254-L268 HydrophobicContact CD1-CD2 4.24Å; L254-D324 HydrophobicContact CD1-CB 4.12Å; L254-D324 HydrophobicContact CD2-CB 4.08Å; L254-W325 HydrophobicContact CB-CH2 3.64Å; L254-W325 HydrophobicContact CB-CZ3 3.74Å; L254-W325 HydrophobicContact CD1-CE3 4Å; L254-W325 HydrophobicContact CD1-CH2 4.35Å; L254-W325 HydrophobicContact CD1-CZ3 3.6Å; L254-W325 HydrophobicContact CG-CZ3 4.34Å
255D97.3Very high92.1Very high47 Ų4719.5 Ų19.525%0.25110%0.102SC..Hα-helixtrans-54.9-47.4173.1-177.243.3000111.1V251 L257 H258 A259 A392V251-D255 WeakPolarHBondContact O-CB 3.49Å; V251-D255 PolarHBondContact O-N 3.21Å; D255-L257 PolarHBondContact O-N 3.49Å; D255-H258 PolarHBondContact O-N 3.28Å; D255-A259 VanDerWaalsContact O-CB 3.22Å; D255-A259 WeakPolarHBondContact O-CB 3.43Å; D255-A259 PolarHBondContact O-N 2.93Å; D255-A392 HydrophobicContact CB-CB 3.55Å; D255-A392 WeakPolarHBondContact OD1-CB 3.48Å
256Y94.9Very high91.5Very high6 Ų619.9 Ų19.92%0.02410%0.103CC..Iπ-helixtrans-58.1-45.6174.6168.6-88.9000112.9S198 K199 H200 L203 S252 L254 E260 R261S198-Y256 WeakPolarHBondContact CA-OH 3.49Å; K199-Y256 PolarHBondContact N-OH 3.16Å; K199-Y256 PolarHBondContact O-OH 2.89Å; H200-Y256 HydrophobicContact CB-CD1 3.79Å; H200-Y256 HydrophobicContact CB-CD2 4.36Å; H200-Y256 HydrophobicContact CB-CE1 4.02Å; H200-Y256 HydrophobicContact CB-CG 3.98Å; H200-Y256 VanDerWaalsContact CD2-CB 3.45Å; H200-Y256 WeakPolarHBondContact CD2-CB 3.48Å; H200-Y256 AromaticContact CD2-CD2 3.88Å; H200-Y256 AromaticContact CD2-CG 3.58Å; L203-Y256 HydrophobicContact CD1-CD1 3.82Å; L203-Y256 HydrophobicContact CD1-CE1 3.92Å; S252-Y256 PolarHBondContact O-N 3.42Å; L254-Y256 VanDerWaalsContact C-N 3.31Å; L254-Y256 PolarHBondContact O-N 2.83Å; Y256-E260 HydrophobicContact CD2-CB 4.14Å; Y256-E260 HydrophobicContact CD2-CG 4.07Å; Y256-E260 WeakPolarHBondContact CD2-OE2 3.41Å; Y256-E260 HydrophobicContact CE2-CB 4.2Å; Y256-E260 HydrophobicContact CE2-CG 4.41Å; Y256-E260 WeakPolarHBondContact CE2-OE2 3.43Å; Y256-E260 WeakPolarHBondContact O-CB 3.31Å; Y256-E260 PolarHBondContact O-N 3.04Å; Y256-R261 HydrophobicContact CD1-CG 4.37Å; Y256-R261 HydrophobicContact CE1-CG 3.72Å; Y256-R261 PolarHBondContact O-N 2.87Å; Y256-R261 PolarHBondContact OH-NE 3.15Å; Y256-R261 PolarHBondContact OH-NH2 2.73Å
257L87.1Confident91Very high0 Ų020.2 Ų20.20%011%0.105CC..Iπ-helixtrans-63.6-43.3178.5-73.3175.1000111.4L203 A253 L254 D255 R261 N262 V263 Y265L203-L257 HydrophobicContact CD1-CD1 4.38Å; L203-L257 HydrophobicContact CD1-CD2 3.75Å; L203-L257 HydrophobicContact CD1-CG 3.97Å; L203-L257 HydrophobicContact CD2-CD1 4.24Å; A253-L257 WeakPolarHBondContact O-CG 3.5Å; A253-L257 PolarHBondContact O-N 2.76Å; A253-L257 VanDerWaalsContact O-N 3.13Å; L254-L257 HydrophobicContact CD2-CD1 4.44Å; L254-L257 PolarHBondContact O-N 2.82Å; L254-L257 VanDerWaalsContact O-N 3.1Å; D255-L257 PolarHBondContact O-N 3.49Å; L257-R261 CarbonylContact O-C 3.52Å; L257-R261 WeakPolarHBondContact O-CA 3.43Å; L257-R261 WeakPolarHBondContact O-CB 3.4Å; L257-R261 PolarHBondContact O-N 2.71Å; L257-N262 PolarHBondContact O-N 3.21Å; L257-V263 CarbonylContact C-O 3.53Å; L257-V263 HydrophobicContact CB-CB 4.43Å; L257-V263 HydrophobicContact CD2-CB 4.33Å; L257-V263 HydrophobicContact CD2-CG1 4.36Å; L257-V263 PolarHBondContact O-N 2.96Å; L257-Y265 HydrophobicContact CD1-CD2 4.48Å
258H88.1Confident90.7Very high0 Ų020.5 Ų20.50%011%0.106CC..Iπ-helixtrans-69.1-55.7-179.1-71.5-172.1000111.8L254 D255 N262 V263 R321 D324 W325 D391L254-H258 WeakPolarHBondContact O-CB 3.33Å; L254-H258 PolarHBondContact O-CD2 3.32Å; L254-H258 VanDerWaalsContact O-CG 3.3Å; L254-H258 PolarHBondContact O-N 3.11Å; D255-H258 PolarHBondContact O-N 3.28Å; H258-N262 WeakPolarHBondContact O-CA 3.45Å; H258-N262 PolarHBondContact O-N 2.84Å; H258-V263 PolarHBondContact CD2-O 2.85Å; H258-V263 VanDerWaalsContact CD2-O 3.27Å; H258-R321 HydrophobicContact CB-CG 4.5Å; H258-D324 IonicContact CD2-OD2 3.01Å; H258-D324 IonicContact CE1-OD2 3.25Å; H258-D324 IonicContact NE2-OD2 2.84Å; H258-D324 PolarHBondContact NE2-OD2 2.7Å; H258-W325 AromaticContact CE1-CE2 3.78Å; H258-W325 AromaticContact CE1-CZ2 3.65Å; H258-W325 AromaticContact CE1-NE1 3.97Å; H258-W325 AromaticContact ND1-CE2 3.98Å; H258-W325 AromaticContact ND1-CZ2 3.54Å; H258-D391 WeakPolarHBondContact CB-OD2 3.33Å; H258-D391 IonicContact CE1-OD1 3.16Å; H258-D391 IonicContact CE1-OD2 2.84Å; H258-D391 IonicContact CG-OD2 3.15Å; H258-D391 IonicContact ND1-OD1 2.8Å; H258-D391 PolarHBondContact ND1-OD1 3.38Å; H258-D391 IonicContact ND1-OD2 2.99Å; H258-D391 PolarHBondContact ND1-OD2 3.44Å
259A87.9Confident90.4Very high62 Ų6221.7 Ų21.751%0.51211%0.111SC..Iπ-helixtrans-79.4-45.1-170.400000113D255D255-A259 VanDerWaalsContact O-CB 3.22Å; D255-A259 WeakPolarHBondContact O-CB 3.43Å; D255-A259 PolarHBondContact O-N 2.93Å
260E85.8Confident90.1Very high120 Ų12021.6 Ų21.656%0.56111%0.111SC*.Iπ-helixtrans-91.2-29.9-175.5-60.3-170.5-15600112.9Y256Y256-E260 HydrophobicContact CD2-CB 4.14Å; Y256-E260 HydrophobicContact CD2-CG 4.07Å; Y256-E260 WeakPolarHBondContact CD2-OE2 3.41Å; Y256-E260 HydrophobicContact CE2-CB 4.2Å; Y256-E260 HydrophobicContact CE2-CG 4.41Å; Y256-E260 WeakPolarHBondContact CE2-OE2 3.43Å; Y256-E260 WeakPolarHBondContact O-CB 3.31Å; Y256-E260 PolarHBondContact O-N 3.04Å
261R80.8Confident89.6Confident94 Ų9424.6 Ų24.636%0.35513%0.125SC..Iπ-helixtrans-109.7-14.5-174-54.2-60.6167.4172.26.2114.4N197 Y256 L257 V263N197-R261 PolarHBondContact O-NE 2.87Å; N197-R261 VanDerWaalsContact O-NE 3.09Å; N197-R261 PolarHBondContact O-NH1 2.86Å; N197-R261 PolarHBondContact O-NH2 3.15Å; N197-R261 VanDerWaalsContact O-NH2 3.16Å; Y256-R261 HydrophobicContact CD1-CG 4.37Å; Y256-R261 HydrophobicContact CE1-CG 3.72Å; Y256-R261 PolarHBondContact O-N 2.87Å; Y256-R261 PolarHBondContact OH-NE 3.15Å; Y256-R261 PolarHBondContact OH-NH2 2.73Å; L257-R261 CarbonylContact O-C 3.52Å; L257-R261 WeakPolarHBondContact O-CA 3.43Å; L257-R261 WeakPolarHBondContact O-CB 3.4Å; L257-R261 PolarHBondContact O-N 2.71Å; R261-V263 HydrophobicContact CB-CB 4.22Å; R261-V263 HydrophobicContact CB-CG2 3.81Å; R261-V263 PolarHBondContact O-N 2.83Å
262N79.2Confident89.3Confident45 Ų4525.1 Ų25.124%0.24113%0.128CC..  trans51.741.1-172.5-60.7-81000111.5L257 H258 G292 I293 R321L257-N262 PolarHBondContact O-N 3.21Å; H258-N262 WeakPolarHBondContact O-CA 3.45Å; H258-N262 PolarHBondContact O-N 2.84Å; N262-G292 PolarHBondContact O-N 2.79Å; N262-I293 WeakPolarHBondContact CB-O 3.43Å; N262-I293 PolarHBondContact O-N 2.89Å; N262-I293 VanDerWaalsContact O-N 3.09Å; N262-I293 PolarHBondContact OD1-O 3.4Å; N262-R321 PolarHBondContact OD1-NH2 2.84Å
263V79.2Confident89.2Confident4 Ų424.5 Ų24.52%0.02412%0.124CC..EExtended strand (participates in β ladder)trans-114.4134.4-179.7174.50000109V194 L257 H258 R261 C289 K290 E291V194-V263 HydrophobicContact CG1-CG1 4.37Å; V194-V263 HydrophobicContact CG2-CG1 4.3Å; V194-V263 HydrophobicContact CG2-CG2 4.27Å; L257-V263 CarbonylContact C-O 3.53Å; L257-V263 HydrophobicContact CB-CB 4.43Å; L257-V263 HydrophobicContact CD2-CB 4.33Å; L257-V263 HydrophobicContact CD2-CG1 4.36Å; L257-V263 PolarHBondContact O-N 2.96Å; H258-V263 PolarHBondContact CD2-O 2.85Å; H258-V263 VanDerWaalsContact CD2-O 3.27Å; R261-V263 HydrophobicContact CB-CB 4.22Å; R261-V263 HydrophobicContact CB-CG2 3.81Å; R261-V263 PolarHBondContact O-N 2.83Å; V263-C289 HydrophobicContact CG1-CB 3.84Å; V263-K290 VanDerWaalsContact CA-O 3.28Å; V263-K290 WeakPolarHBondContact CA-O 3.44Å; V263-E291 HydrophobicContact CG2-CB 4.49Å; V263-E291 HydrophobicContact CG2-CG 3.98Å
264V83.1Confident89.1Confident0 Ų025.8 Ų25.80%013%0.13CC..EExtended strand (participates in β ladder)trans-103.9132.5167.2-174.80000108.3R266 C289 K290 I293 M299 R321 V323 D324V264-R266 HydrophobicContact CB-CG 4.24Å; V264-R266 HydrophobicContact CG1-CG 3.69Å; V264-C289 CarbonylContact O-C 3.54Å; V264-C289 WeakPolarHBondContact O-CA 3.35Å; V264-K290 PolarHBondContact N-O 3.09Å; V264-K290 PolarHBondContact O-N 2.72Å; V264-I293 HydrophobicContact CG2-CB 4.03Å; V264-I293 HydrophobicContact CG2-CG1 3.99Å; V264-I293 HydrophobicContact CG2-CG2 3.96Å; V264-M299 HydrophobicContact CB-CE 3.88Å; V264-M299 HydrophobicContact CG1-CE 4.02Å; V264-M299 HydrophobicContact CG2-CE 3.79Å; V264-R321 HydrophobicContact CG2-CG 3.89Å; V264-V323 HydrophobicContact CG1-CG2 3.52Å; V264-D324 WeakPolarHBondContact CG1-OD2 3.09Å
265Y86.4Confident89.1Confident1 Ų125.8 Ų25.80%0.00413%0.13CC..  trans-78.2-44.9-171.1179.5-112000112.9L257 D267 L268 N272 I283 T284 D285 F286 D324L257-Y265 HydrophobicContact CD1-CD2 4.48Å; Y265-D267 HydrophobicContact CE1-CB 4.41Å; Y265-D267 VanDerWaalsContact CE1-O 3.27Å; Y265-D267 WeakPolarHBondContact CE1-O 3.38Å; Y265-D267 PolarHBondContact O-N 3.48Å; Y265-D267 VanDerWaalsContact O-N 3.11Å; Y265-L268 HydrophobicContact CD1-CB 4.04Å; Y265-L268 HydrophobicContact CD1-CD1 4.06Å; Y265-L268 HydrophobicContact CE1-CB 4.19Å; Y265-L268 HydrophobicContact CE1-CD1 3.99Å; Y265-N272 VanDerWaalsContact OH-CB 3.31Å; Y265-N272 WeakPolarHBondContact OH-CB 3.41Å; Y265-N272 PolarHBondContact OH-ND2 2.93Å; Y265-I283 HydrophobicContact CD2-CG2 4.35Å; Y265-I283 HydrophobicContact CE1-CG2 3.91Å; Y265-I283 HydrophobicContact CE2-CG2 3.68Å; Y265-I283 VanDerWaalsContact CZ-CG2 3.45Å; Y265-T284 PolarHBondContact OH-O 2.79Å; Y265-D285 WeakPolarHBondContact CE2-O 3.27Å; Y265-D285 PolarHBondContact OH-O 3.46Å; Y265-F286 HydrophobicContact CD2-CD1 4.01Å; Y265-F286 HydrophobicContact CD2-CE1 4.23Å; Y265-F286 AromaticContact CE2-CD1 3.93Å; Y265-F286 HydrophobicContact CE2-CD1 3.93Å; Y265-F286 HydrophobicContact CE2-CE1 4.13Å; Y265-F286 HydrophobicContact CE2-CG 4.48Å; Y265-D324 WeakPolarHBondContact CB-OD2 3.39Å; Y265-D324 PolarHBondContact N-OD2 2.99Å
266R85.5Confident88.9Confident23 Ų2324.3 Ų24.39%0.08712%0.122CC..  trans67.1-8.1172.1-54.2-168.9-67173.84.2118.6V264 L288 C289 M299 C303 Y319 V323 D324V264-R266 HydrophobicContact CB-CG 4.24Å; V264-R266 HydrophobicContact CG1-CG 3.69Å; R266-L288 PolarHBondContact NE-O 2.85Å; R266-L288 PolarHBondContact NH2-O 3.12Å; R266-C289 PolarHBondContact NH2-O 2.98Å; R266-M299 VanDerWaalsContact CD-SD 3.52Å; R266-C303 VanDerWaalsContact CZ-SG 3.5Å; R266-Y319 WeakPolarHBondContact CD-OH 3.34Å; R266-Y319 HydrophobicContact CG-CE2 4.41Å; R266-Y319 PolarHBondContact NH1-OH 3.27Å; R266-V323 HydrophobicContact CG-CG2 4.22Å; R266-D324 WeakPolarHBondContact CA-OD1 3.42Å; R266-D324 PolarHBondContact N-OD1 3.35Å
267D87.6Confident88.8Confident8 Ų828.6 Ų28.64%0.04314%0.141CC..  trans-12740.9-178.6-159.931.2000112.2Y265 K269 N272 L288Y265-D267 HydrophobicContact CE1-CB 4.41Å; Y265-D267 VanDerWaalsContact CE1-O 3.27Å; Y265-D267 WeakPolarHBondContact CE1-O 3.38Å; Y265-D267 PolarHBondContact O-N 3.48Å; Y265-D267 VanDerWaalsContact O-N 3.11Å; D267-K269 PolarHBondContact O-N 2.89Å; D267-K269 IonicContact OD1-NZ 3.39Å; D267-K269 PolarHBondContact OD1-NZ 2.96Å; D267-K269 IonicContact OD2-NZ 2.74Å; D267-K269 PolarHBondContact OD2-NZ 3.4Å; D267-N272 VanDerWaalsContact CG-ND2 3.3Å; D267-N272 PolarHBondContact O-ND2 3.02Å; D267-N272 PolarHBondContact OD2-ND2 3.19Å; D267-L288 HydrophobicContact CB-CB 4.14Å; D267-L288 HydrophobicContact CB-CD1 3.91Å; D267-L288 HydrophobicContact CB-CG 4.45Å
268L93.3Very high89.1Confident5 Ų531.2 Ų31.23%0.02616%0.155CC..  trans-74.1111.1178.6-160.678.8000110.9I250 L254 Y265 L273 I283 Y308 L328 V331I250-L268 HydrophobicContact CG2-CD1 4.03Å; I250-L268 HydrophobicContact CG2-CD2 3.95Å; L254-L268 HydrophobicContact CD1-CD2 4.24Å; Y265-L268 HydrophobicContact CD1-CB 4.04Å; Y265-L268 HydrophobicContact CD1-CD1 4.06Å; Y265-L268 HydrophobicContact CE1-CB 4.19Å; Y265-L268 HydrophobicContact CE1-CD1 3.99Å; L268-L273 HydrophobicContact CD1-CD2 4.23Å; L268-I283 HydrophobicContact CD1-CD1 4.44Å; L268-Y308 WeakPolarHBondContact O-CD1 3.44Å; L268-L328 HydrophobicContact CD2-CB 4.03Å; L268-L328 VanDerWaalsContact CD2-N 3.34Å; L268-V331 HydrophobicContact CD2-CG2 4.43Å; L268-V331 HydrophobicContact CG-CG2 4.29Å
269K92.9Very high89.5Confident25 Ų2531.2 Ų31.211%0.10916%0.155CC..SBendtrans-153.3163.9179.663.9-173.1178-137.10111D267 E271 N272 L273 T305 Y308D267-K269 PolarHBondContact O-N 2.89Å; D267-K269 IonicContact OD1-NZ 3.39Å; D267-K269 PolarHBondContact OD1-NZ 2.96Å; D267-K269 IonicContact OD2-NZ 2.74Å; D267-K269 PolarHBondContact OD2-NZ 3.4Å; K269-E271 WeakPolarHBondContact CB-OE2 3.34Å; K269-E271 HydrophobicContact CD-CB 4.45Å; K269-E271 HydrophobicContact CG-CB 4.29Å; K269-E271 VanDerWaalsContact CG-OE2 3.3Å; K269-E271 WeakPolarHBondContact CG-OE2 3.33Å; K269-E271 PolarHBondContact O-N 3.45Å; K269-N272 WeakPolarHBondContact CE-ND2 3.49Å; K269-N272 WeakPolarHBondContact CE-OD1 3.4Å; K269-N272 HydrophobicContact CG-CB 4.09Å; K269-N272 PolarHBondContact O-N 3.47Å; K269-N272 VanDerWaalsContact O-N 3.13Å; K269-L273 WeakPolarHBondContact O-CG 3.22Å; K269-T305 VanDerWaalsContact CD-OG1 3.26Å; K269-T305 WeakPolarHBondContact CD-OG1 3.27Å; K269-T305 PolarHBondContact NZ-OG1 3.02Å; K269-Y308 HydrophobicContact CB-CD1 3.72Å; K269-Y308 HydrophobicContact CB-CD2 3.95Å; K269-Y308 HydrophobicContact CB-CE1 3.59Å; K269-Y308 HydrophobicContact CB-CE2 3.79Å; K269-Y308 HydrophobicContact CB-CG 3.89Å
270L92.4Very high90Very high0 Ų028.9 Ų28.90%013%0.133CC..G310 helixtrans-63.3-27.7-175.1-70.3-179.6000113.8L228 F229 L232 N272 L273 V331 E334 M335L228-L270 HydrophobicContact CD2-CD2 3.98Å; L228-L270 HydrophobicContact CG-CD2 4.32Å; F229-L270 HydrophobicContact CB-CB 3.88Å; F229-L270 HydrophobicContact CD2-CB 4.35Å; F229-L270 HydrophobicContact CD2-CD1 4.4Å; F229-L270 PolarHBondContact N-O 3Å; L232-L270 HydrophobicContact CD2-CD1 3.42Å; L232-L270 VanDerWaalsContact CD2-CD1 3.42Å; L270-N272 VanDerWaalsContact C-N 3.33Å; L270-L273 PolarHBondContact O-N 3.1Å; L270-V331 HydrophobicContact CD2-CG1 3.97Å; L270-E334 HydrophobicContact CD1-CB 4.26Å; L270-E334 HydrophobicContact CD1-CG 3.8Å; L270-E334 WeakPolarHBondContact CD1-OE2 3.47Å; L270-M335 HydrophobicContact CD2-CG 4.19Å
271E89.1Confident90.6Very high64 Ų6423.1 Ų23.130%0.29911%0.106SC..G310 helixtrans-71.5-28.7178.6-56.593.814000112F229 K269 L273 Y308F229-E271 HydrophobicContact CB-CG 4.47Å; K269-E271 WeakPolarHBondContact CB-OE2 3.34Å; K269-E271 HydrophobicContact CD-CB 4.45Å; K269-E271 HydrophobicContact CG-CB 4.29Å; K269-E271 VanDerWaalsContact CG-OE2 3.3Å; K269-E271 WeakPolarHBondContact CG-OE2 3.33Å; K269-E271 PolarHBondContact O-N 3.45Å; E271-L273 VanDerWaalsContact C-N 3.31Å; E271-Y308 PolarHBondContact OE2-OH 3.04Å
272N92.4Very high91.3Very high11 Ų1119.7 Ų19.76%0.0599%0.094CC..G310 helixtrans-91.66.3177.8-70.9-3.9000113.1Y265 D267 K269 L270 T284Y265-N272 VanDerWaalsContact OH-CB 3.31Å; Y265-N272 WeakPolarHBondContact OH-CB 3.41Å; Y265-N272 PolarHBondContact OH-ND2 2.93Å; D267-N272 VanDerWaalsContact CG-ND2 3.3Å; D267-N272 PolarHBondContact O-ND2 3.02Å; D267-N272 PolarHBondContact OD2-ND2 3.19Å; K269-N272 WeakPolarHBondContact CE-ND2 3.49Å; K269-N272 WeakPolarHBondContact CE-OD1 3.4Å; K269-N272 HydrophobicContact CG-CB 4.09Å; K269-N272 PolarHBondContact O-N 3.47Å; K269-N272 VanDerWaalsContact O-N 3.13Å; L270-N272 VanDerWaalsContact C-N 3.33Å; N272-T284 PolarHBondContact O-N 2.98Å; N272-T284 PolarHBondContact O-OG1 2.98Å
273L96.4Very high92.1Very high0 Ų017.6 Ų17.60%08%0.083CC..EExtended strand (participates in β ladder)trans-111.4113.7176.2-64.9173.1000108.6L228 I250 L268 K269 L270 E271 I281 I283 V331L228-L273 HydrophobicContact CB-CB 3.93Å; L228-L273 VanDerWaalsContact CB-O 3.31Å; L228-L273 WeakPolarHBondContact CB-O 3.13Å; L228-L273 HydrophobicContact CD2-CB 4.1Å; L228-L273 HydrophobicContact CD2-CD1 4.03Å; L228-L273 PolarHBondContact N-O 2.69Å; I250-L273 HydrophobicContact CD1-CD1 3.68Å; I250-L273 HydrophobicContact CD1-CD2 4.1Å; I250-L273 HydrophobicContact CG1-CD2 4.04Å; L268-L273 HydrophobicContact CD1-CD2 4.23Å; K269-L273 WeakPolarHBondContact O-CG 3.22Å; L270-L273 PolarHBondContact O-N 3.1Å; E271-L273 VanDerWaalsContact C-N 3.31Å; L273-I281 HydrophobicContact CD2-CG2 3.99Å; L273-I283 HydrophobicContact CD2-CG1 3.82Å; L273-V331 HydrophobicContact CD1-CG1 3.69Å; L273-V331 HydrophobicContact CD1-CG2 4.34Å
274M95.3Very high92.5Very high27 Ų2718.6 Ų18.613%0.1339%0.089CC..EExtended strand (participates in β ladder)trans-109.4161.6175-60.7-167.977.900111A223 G226 E227 I281 K282 T284 F431A223-M274 HydrophobicContact CB-CB 3.88Å; A223-M274 HydrophobicContact CB-CE 4.49Å; A223-M274 HydrophobicContact CB-SD 4.3Å; A223-M274 WeakPolarHBondContact O-CE 3.4Å; G226-M274 CarbonylContact O-C 3.53Å; G226-M274 WeakPolarHBondContact O-CA 3.49Å; E227-M274 HydrophobicContact CG-CE 4.4Å; E227-M274 HydrophobicContact CG-CG 4.39Å; M274-I281 CarbonylContact O-C 3.57Å; M274-I281 WeakPolarHBondContact O-CA 3.45Å; M274-K282 HydrophobicContact CB-CB 4.46Å; M274-K282 PolarHBondContact N-O 2.76Å; M274-K282 PolarHBondContact O-N 3.17Å; M274-T284 HydrophobicContact CB-CG2 4.38Å; M274-T284 HydrophobicContact CG-CG2 3.82Å; M274-T284 HydrophobicContact SD-CG2 3.73Å; M274-F431 HydrophobicContact CE-CE1 3.88Å; M274-F431 HydrophobicContact CE-CZ 3.88Å
275L96.1Very high92.3Very high0 Ų021.6 Ų21.60%011%0.105CC..EExtended strand (participates in β ladder)trans-101.6138.6167.6-61.3-177.7000110.7G225 G226 L228 Y246 H280 I281 F418 P420G225-L275 WeakPolarHBondContact CA-O 3.39Å; G225-L275 PolarHBondContact N-O 3.49Å; G226-L275 PolarHBondContact O-N 3.01Å; L228-L275 HydrophobicContact CD1-CD1 4.39Å; L228-L275 HydrophobicContact CD1-CD2 4.16Å; L228-L275 HydrophobicContact CD1-CG 4.3Å; Y246-L275 HydrophobicContact CD1-CD2 4.36Å; Y246-L275 HydrophobicContact CE1-CD2 3.74Å; L275-H280 CarbonylContact C-O 3.57Å; L275-H280 WeakPolarHBondContact CA-O 3.31Å; L275-I281 HydrophobicContact CD2-CD1 3.96Å; L275-F418 HydrophobicContact CD1-CD1 3.74Å; L275-F418 HydrophobicContact CD1-CE1 3.95Å; L275-P420 HydrophobicContact CB-CG 4.15Å; L275-P420 HydrophobicContact CD1-CG 4.32Å
276D93.5Very high91.8Very high16 Ų1621.7 Ų21.79%0.08611%0.105CC..  trans-75175.8164.975.912.6000111.4D278 G279 H280 K282 K412 P420D276-D278 PolarHBondContact O-N 2.89Å; D276-D278 VanDerWaalsContact O-N 3.11Å; D276-D278 WeakPolarHBondContact OD1-CA 3.41Å; D276-D278 PolarHBondContact OD1-N 3.43Å; D276-G279 PolarHBondContact O-N 3.01Å; D276-G279 VanDerWaalsContact O-N 3.13Å; D276-G279 PolarHBondContact OD1-N 3.5Å; D276-H280 PolarHBondContact N-O 2.85Å; D276-H280 IonicContact OD1-CD2 3.7Å; D276-H280 PolarHBondContact OD1-N 3.29Å; D276-K282 HydrophobicContact CB-CG 4.29Å; D276-K412 IonicContact OD2-NZ 2.67Å; D276-K412 PolarHBondContact OD2-NZ 3.47Å; D276-P420 WeakPolarHBondContact O-CG 3.23Å
277K91.8Very high90.7Very high95 Ų9521.1 Ų21.141%0.41311%0.106SC..THydrogen-bonded Turntrans-58.9-23.1-179.966.8176-17958.30114.3N224 V422N224-K277 WeakPolarHBondContact OD1-CA 3.38Å; N224-K277 VanDerWaalsContact OD1-CB 3.28Å; N224-K277 WeakPolarHBondContact OD1-CB 3.48Å; N224-K277 PolarHBondContact OD1-N 2.62Å; K277-V422 HydrophobicContact CB-CG2 4.08Å
278D94.3Very high89.9Confident56 Ų5622.3 Ų22.330%0.29911%0.113SC..THydrogen-bonded Turntrans-95-16-176.4-61.4-47.5000111.3D276 P416D276-D278 PolarHBondContact O-N 2.89Å; D276-D278 VanDerWaalsContact O-N 3.11Å; D276-D278 WeakPolarHBondContact OD1-CA 3.41Å; D276-D278 PolarHBondContact OD1-N 3.43Å; D278-P416 WeakPolarHBondContact O-CG 3.33Å
279G96.3Very high89Confident0 Ų022.2 Ų22.20%011%0.113CC..SBendtrans105.612.9175.800000114.6D276 F418D276-G279 PolarHBondContact O-N 3.01Å; D276-G279 VanDerWaalsContact O-N 3.13Å; D276-G279 PolarHBondContact OD1-N 3.5Å; G279-F418 WeakPolarHBondContact CA-O 3.47Å
280H98.2Very high87.9Confident12 Ų1224.9 Ų24.96%0.05612%0.124CC..  trans-89.4153.3176.2-62.9-89.3000111.8F202 F245 E249 L275 D276 K412 L414 P416F202-H280 HydrophobicContact CD1-CB 4.3Å; F202-H280 HydrophobicContact CE1-CB 4.02Å; F202-H280 AromaticContact CE1-ND1 3.97Å; F245-H280 AromaticContact CZ-ND1 3.71Å; E249-H280 IonicContact OE1-CE1 2.62Å; E249-H280 IonicContact OE1-CG 3.32Å; E249-H280 IonicContact OE1-ND1 2.73Å; E249-H280 PolarHBondContact OE1-ND1 3.46Å; L275-H280 CarbonylContact C-O 3.57Å; L275-H280 WeakPolarHBondContact CA-O 3.31Å; D276-H280 PolarHBondContact N-O 2.85Å; D276-H280 IonicContact OD1-CD2 3.7Å; D276-H280 PolarHBondContact OD1-N 3.29Å; H280-K412 WeakPolarHBondContact CD2-CE 3.41Å; H280-L414 PolarHBondContact CE1-O 2.82Å; H280-P416 WeakPolarHBondContact NE2-CG 3.35Å
281I98.2Very high86.7Confident0 Ų027.9 Ų27.90%014%0.138CC..EExtended strand (participates in β ladder)trans-64.4140178-68-70.8000111.5F202 L228 Y246 E249 I250 L273 M274 L275 I283F202-I281 VanDerWaalsContact CA-O 3.31Å; F202-I281 WeakPolarHBondContact CA-O 3.29Å; F202-I281 WeakPolarHBondContact CB-O 3.46Å; F202-I281 WeakPolarHBondContact CD1-O 3.39Å; L228-I281 HydrophobicContact CD2-CD1 4.04Å; Y246-I281 HydrophobicContact CD1-CD1 3.79Å; Y246-I281 HydrophobicContact CD1-CG1 3.76Å; Y246-I281 HydrophobicContact CG-CD1 4.04Å; Y246-I281 HydrophobicContact CG-CG1 4.26Å; E249-I281 HydrophobicContact CB-CB 4.07Å; E249-I281 HydrophobicContact CB-CG1 4.19Å; E249-I281 WeakPolarHBondContact OE2-CB 3.13Å; E249-I281 WeakPolarHBondContact OE2-CG1 3.22Å; E249-I281 PolarHBondContact OE2-N 2.84Å; I250-I281 HydrophobicContact CG1-CG1 4.47Å; I250-I281 HydrophobicContact CG1-CG2 4.1Å; L273-I281 HydrophobicContact CD2-CG2 3.99Å; M274-I281 CarbonylContact O-C 3.57Å; M274-I281 WeakPolarHBondContact O-CA 3.45Å; L275-I281 HydrophobicContact CD2-CD1 3.96Å; I281-I283 HydrophobicContact CG2-CG1 4.06Å
282K96.7Very high85.3Confident22 Ų2227.6 Ų27.610%0.09615%0.153CC..EExtended strand (participates in β ladder)trans-128.6110.5163.3-76.1-71.6179.2169.50108.7P201 F202 L203 E221 A223 M274 D276P201-K282 WeakPolarHBondContact O-CE 3.21Å; P201-K282 PolarHBondContact O-NZ 2.82Å; F202-K282 CarbonylContact O-C 3.4Å; F202-K282 WeakPolarHBondContact O-CA 3.35Å; L203-K282 PolarHBondContact O-NZ 3.28Å; E221-K282 IonicContact OE2-NZ 3.53Å; E221-K282 PolarHBondContact OE2-NZ 3.13Å; A223-K282 HydrophobicContact CB-CB 4.15Å; A223-K282 HydrophobicContact CB-CG 4.28Å; M274-K282 HydrophobicContact CB-CB 4.46Å; M274-K282 PolarHBondContact N-O 2.76Å; M274-K282 PolarHBondContact O-N 3.17Å; D276-K282 HydrophobicContact CB-CG 4.29Å
283I95.3Very high83.8Confident0 Ų027.5 Ų27.50%015%0.152CC..EExtended strand (participates in β ladder)trans-73.8127.9170.1-51.8-174.9000108F202 L203 T204 A253 Y265 L268 L273 I281F202-I283 PolarHBondContact O-N 3.04Å; L203-I283 HydrophobicContact CD2-CB 3.84Å; L203-I283 HydrophobicContact CD2-CD1 3.98Å; L203-I283 HydrophobicContact CD2-CG1 4.2Å; L203-I283 HydrophobicContact CD2-CG2 4.43Å; T204-I283 WeakPolarHBondContact CB-O 3.49Å; T204-I283 PolarHBondContact N-O 2.84Å; T204-I283 PolarHBondContact OG1-O 3.41Å; A253-I283 HydrophobicContact CB-CD1 3.65Å; Y265-I283 HydrophobicContact CD2-CG2 4.35Å; Y265-I283 HydrophobicContact CE1-CG2 3.91Å; Y265-I283 HydrophobicContact CE2-CG2 3.68Å; Y265-I283 VanDerWaalsContact CZ-CG2 3.45Å; L268-I283 HydrophobicContact CD1-CD1 4.44Å; L273-I283 HydrophobicContact CD2-CG1 3.82Å; I281-I283 HydrophobicContact CG2-CG1 4.06Å
284T88.8Confident82Confident26 Ų2634.5 Ų34.516%0.1618%0.182CC..  trans-113.4179.7-178.559.90000111.1T204 Y265 N272 M274T204-T284 WeakPolarHBondContact OG1-CG2 3.32Å; Y265-T284 PolarHBondContact OH-O 2.79Å; N272-T284 PolarHBondContact O-N 2.98Å; N272-T284 PolarHBondContact O-OG1 2.98Å; M274-T284 HydrophobicContact CB-CG2 4.38Å; M274-T284 HydrophobicContact CG-CG2 3.82Å; M274-T284 HydrophobicContact SD-CG2 3.73Å
285D78.5Confident80.1Confident63 Ų6339.6 Ų39.634%0.33721%0.21SC..  trans48.987.4171.9-153.510.7000116.5K172 Y265 G287K172-D285 IonicContact NZ-OD1 2.85Å; K172-D285 PolarHBondContact NZ-OD1 3.47Å; Y265-D285 WeakPolarHBondContact CE2-O 3.27Å; Y265-D285 PolarHBondContact OH-O 3.46Å; D285-G287 VanDerWaalsContact C-N 3.31Å; D285-G287 PolarHBondContact O-N 2.84Å
286F74.4Confident77.8Confident2 Ų243.1 Ų43.11%0.00925%0.247CC..  trans-93.915.8-179.4-59.5-93.8000112.8E191 V194 L195 L203 Y265 L288 C289E191-F286 HydrophobicContact CG-CB 4.17Å; V194-F286 HydrophobicContact CG1-CB 4.2Å; V194-F286 HydrophobicContact CG1-CD1 3.88Å; V194-F286 HydrophobicContact CG1-CG 4.25Å; L195-F286 HydrophobicContact CD2-CD2 3.36Å; L195-F286 HydrophobicContact CD2-CE2 3.55Å; L195-F286 HydrophobicContact CD2-CG 4.23Å; L195-F286 HydrophobicContact CG-CD2 3.88Å; L195-F286 HydrophobicContact CG-CG 4.4Å; L203-F286 HydrophobicContact CB-CZ 4.07Å; L203-F286 HydrophobicContact CD1-CE1 4.47Å; L203-F286 HydrophobicContact CD2-CE1 3.95Å; L203-F286 HydrophobicContact CD2-CZ 3.92Å; L203-F286 HydrophobicContact CG-CZ 4.4Å; Y265-F286 HydrophobicContact CD2-CD1 4.01Å; Y265-F286 HydrophobicContact CD2-CE1 4.23Å; Y265-F286 AromaticContact CE2-CD1 3.93Å; Y265-F286 HydrophobicContact CE2-CD1 3.93Å; Y265-F286 HydrophobicContact CE2-CE1 4.13Å; Y265-F286 HydrophobicContact CE2-CG 4.48Å; F286-L288 PolarHBondContact O-N 2.66Å; F286-C289 WeakPolarHBondContact O-CB 3.2Å; F286-C289 PolarHBondContact O-N 3.48Å; F286-C289 VanDerWaalsContact O-N 3.15Å
287G62.8Low75.6Confident11 Ų1144.2 Ų44.211%0.11326%0.258CS..THydrogen-bonded Turntrans-58.4-30.7-176.600000114.3H187 D285H187-G287 WeakPolarHBondContact CB-O 3.15Å; D285-G287 VanDerWaalsContact C-N 3.31Å; D285-G287 PolarHBondContact O-N 2.84Å
288L70.6Confident73.6Confident34 Ų3441.9 Ų41.918%0.17825%0.251CS..THydrogen-bonded Turntrans-1018.9-179-60.4-174.7000113.6R266 D267 F286 C303R266-L288 PolarHBondContact NE-O 2.85Å; R266-L288 PolarHBondContact NH2-O 3.12Å; D267-L288 HydrophobicContact CB-CB 4.14Å; D267-L288 HydrophobicContact CB-CD1 3.91Å; D267-L288 HydrophobicContact CB-CG 4.45Å; F286-L288 PolarHBondContact O-N 2.66Å; L288-C303 HydrophobicContact CD1-CB 4.07Å; L288-C303 HydrophobicContact CD2-CB 3.92Å; L288-C303 HydrophobicContact CG-CB 4.49Å
289C74.3Confident71.9Confident3 Ų339.6 Ų39.62%0.0224%0.239CC..  trans-62.6154.8177.4-74.10000112.9T190 V194 V263 V264 R266 F286T190-C289 WeakPolarHBondContact CG2-O 3.2Å; V194-C289 HydrophobicContact CG1-CB 4.43Å; V194-C289 HydrophobicContact CG2-CB 3.93Å; V263-C289 HydrophobicContact CG1-CB 3.84Å; V264-C289 CarbonylContact O-C 3.54Å; V264-C289 WeakPolarHBondContact O-CA 3.35Å; R266-C289 PolarHBondContact NH2-O 2.98Å; F286-C289 WeakPolarHBondContact O-CB 3.2Å; F286-C289 PolarHBondContact O-N 3.48Å; F286-C289 VanDerWaalsContact O-N 3.15Å
290K70.7Confident69.9Low81 Ų8142.6 Ų42.635%0.35225%0.252SS..EExtended strand (participates in β ladder)trans-127.3116.8172.7-173.370175.1-176.30111V263 V264 I293 M299V263-K290 VanDerWaalsContact CA-O 3.28Å; V263-K290 WeakPolarHBondContact CA-O 3.44Å; V264-K290 PolarHBondContact N-O 3.09Å; V264-K290 PolarHBondContact O-N 2.72Å; K290-I293 HydrophobicContact CG-CD1 3.96Å; K290-I293 HydrophobicContact CG-CG1 4.05Å; K290-M299 HydrophobicContact CB-SD 3.73Å; K290-M299 HydrophobicContact CG-SD 3.72Å
291E67.1Low67.9Low62 Ų6244.3 Ų44.329%0.2926%0.264SS..EExtended strand (participates in β ladder)trans-82.9160.1174.9-60.4175102.300112.3T190 R193 V194 V263T190-E291 HydrophobicContact CG2-CG 4.4Å; R193-E291 IonicContact CZ-OE2 3.62Å; R193-E291 VanDerWaalsContact CZ-OE2 3.3Å; R193-E291 IonicContact NE-OE1 2.68Å; R193-E291 IonicContact NE-OE2 2.75Å; R193-E291 PolarHBondContact NE-OE2 3.47Å; R193-E291 IonicContact NH2-OE2 3.88Å; R193-E291 PolarHBondContact NH2-OE2 3.04Å; V194-E291 HydrophobicContact CG2-CG 3.75Å; V263-E291 HydrophobicContact CG2-CB 4.49Å; V263-E291 HydrophobicContact CG2-CG 3.98Å
292G59.5Low66.1Low59 Ų5946.5 Ų46.561%0.60827%0.273SS*.  trans84.215.3169.500000114.9N262 K294N262-G292 PolarHBondContact O-N 2.79Å; G292-K294 PolarHBondContact O-N 2.93Å
293I60.9Low64.5Low9 Ų946.1 Ų46.15%0.04627%0.273CS..  trans-86.789.2178.9-54.1-60.8000109.1N262 V264 K290 A297 M299 R321N262-I293 WeakPolarHBondContact CB-O 3.43Å; N262-I293 PolarHBondContact O-N 2.89Å; N262-I293 VanDerWaalsContact O-N 3.09Å; N262-I293 PolarHBondContact OD1-O 3.4Å; V264-I293 HydrophobicContact CG2-CB 4.03Å; V264-I293 HydrophobicContact CG2-CG1 3.99Å; V264-I293 HydrophobicContact CG2-CG2 3.96Å; K290-I293 HydrophobicContact CG-CD1 3.96Å; K290-I293 HydrophobicContact CG-CG1 4.05Å; I293-A297 HydrophobicContact CG2-CB 4.27Å; I293-A297 WeakPolarHBondContact CG2-O 3.36Å; I293-M299 HydrophobicContact CD1-CB 4.34Å; I293-M299 HydrophobicContact CD1-CE 4.07Å; I293-M299 HydrophobicContact CD1-SD 4.46Å; I293-M299 HydrophobicContact CG1-CE 4.07Å; I293-R321 HydrophobicContact CG2-CG 4.43Å; I293-R321 PolarHBondContact O-NH2 2.79Å
294K58.8Low63.1Low146 Ų14647.3 Ų47.364%0.63529%0.286SS*.  trans-82.9166.1169.5-66.9-174.3178.6-177.30110.6G292 G296 A297G292-K294 PolarHBondContact O-N 2.93Å; K294-G296 PolarHBondContact O-N 2.96Å; K294-A297 WeakPolarHBondContact O-CB 3.41Å; K294-A297 PolarHBondContact O-N 2.89Å
295D55.5Low62.5Low135 Ų13547.6 Ų47.672%0.72229%0.287SS*.THydrogen-bonded Turntrans-46.6121.4-172.2-53-34.6000112.7A297 R321D295-A297 VanDerWaalsContact C-N 3.3Å; D295-A297 PolarHBondContact O-N 2.82Å; D295-R321 IonicContact OD1-CZ 2.69Å; D295-R321 IonicContact OD1-NH1 3.18Å; D295-R321 PolarHBondContact OD1-NH1 3.08Å; D295-R321 IonicContact OD1-NH2 2.76Å; D295-R321 PolarHBondContact OD1-NH2 3.26Å
296G48.3Very low62.8Low74 Ų7446 Ų4676%0.76328%0.281SS*.THydrogen-bonded Turntrans79.1-2.8-178.100000116.2K294K294-G296 PolarHBondContact O-N 2.96Å
297A47.4Very low63.5Low38 Ų3847.8 Ų47.831%0.31429%0.289SS..  trans-72.2142.3175.200000111.4I293 K294 D295I293-A297 HydrophobicContact CG2-CB 4.27Å; I293-A297 WeakPolarHBondContact CG2-O 3.36Å; K294-A297 WeakPolarHBondContact O-CB 3.41Å; K294-A297 PolarHBondContact O-N 2.89Å; D295-A297 VanDerWaalsContact C-N 3.3Å; D295-A297 PolarHBondContact O-N 2.82Å
298T48.3Very low64.9Low46 Ų4648.2 Ų48.228%0.28229%0.287SS..  trans-123.3161.8-174.359.60000112.2T50 D318 Y319T50-T298 HydrophobicContact CG2-CG2 3.99Å; T50-T298 WeakPolarHBondContact CG2-OG1 3.3Å; T298-D318 WeakPolarHBondContact CB-OD1 3.22Å; T298-D318 HydrophobicContact CG2-CB 3.78Å; T298-D318 VanDerWaalsContact OG1-CB 3.26Å; T298-D318 WeakPolarHBondContact OG1-CB 3.45Å; T298-D318 PolarHBondContact OG1-OD1 3.47Å; T298-Y319 CarbonylContact C-O 3.59Å; T298-Y319 VanDerWaalsContact CA-O 3.25Å; T298-Y319 WeakPolarHBondContact CA-O 2.95Å
299M59.1Low65.8Low8 Ų847 Ų474%0.03928%0.28CS..BIsolated β-bridgetrans-138166.2179.776.2-162.5100.600111.8V264 R266 K290 I293 D318 Y319V264-M299 HydrophobicContact CB-CE 3.88Å; V264-M299 HydrophobicContact CG1-CE 4.02Å; V264-M299 HydrophobicContact CG2-CE 3.79Å; R266-M299 VanDerWaalsContact CD-SD 3.52Å; K290-M299 HydrophobicContact CB-SD 3.73Å; K290-M299 HydrophobicContact CG-SD 3.72Å; I293-M299 HydrophobicContact CD1-CB 4.34Å; I293-M299 HydrophobicContact CD1-CE 4.07Å; I293-M299 HydrophobicContact CD1-SD 4.46Å; I293-M299 HydrophobicContact CG1-CE 4.07Å; M299-D318 WeakPolarHBondContact O-CA 3.25Å; M299-Y319 HydrophobicContact CE-CD2 3.68Å; M299-Y319 HydrophobicContact CE-CE2 3.64Å; M299-Y319 WeakPolarHBondContact CE-O 3.32Å; M299-Y319 HydrophobicContact CG-CD1 4.05Å; M299-Y319 HydrophobicContact CG-CD2 3.46Å; M299-Y319 VanDerWaalsContact CG-CD2 3.46Å; M299-Y319 HydrophobicContact CG-CE1 3.71Å; M299-Y319 HydrophobicContact CG-CE2 3.08Å; M299-Y319 HydrophobicContact CG-CG 3.93Å; M299-Y319 WeakPolarHBondContact CG-O 3.36Å; M299-Y319 PolarHBondContact N-O 3.31Å; M299-Y319 WeakPolarHBondContact O-CD1 3.26Å; M299-Y319 WeakPolarHBondContact O-CE1 3.41Å; M299-Y319 PolarHBondContact O-N 2.7Å; M299-Y319 HydrophobicContact SD-CD2 3.85Å; M299-Y319 HydrophobicContact SD-CE2 3.22Å; M299-Y319 WeakPolarHBondContact SD-CE2 3.17Å
300K53.8Low66.6Low64 Ų6447 Ų4728%0.27828%0.281SS..  trans-131.4-0-166.2-59.6-178.1-176.9-178.10115.6P51 L52 N53 N54 F302 D318P51-K300 WeakPolarHBondContact O-CE 3.35Å; P51-K300 PolarHBondContact O-NZ 2.87Å; L52-K300 WeakPolarHBondContact O-CD 3.2Å; L52-K300 WeakPolarHBondContact O-CE 3.19Å; L52-K300 PolarHBondContact O-NZ 3.19Å; N53-K300 VanDerWaalsContact C-NZ 3.35Å; N54-K300 VanDerWaalsContact N-NZ 3.18Å; K300-F302 PolarHBondContact O-N 3.5Å; K300-D318 WeakPolarHBondContact CE-OD1 3.45Å; K300-D318 WeakPolarHBondContact CG-OD1 3.36Å; K300-D318 IonicContact NZ-OD2 3.68Å
301T57.4Low67.6Low48 Ų4843.4 Ų43.429%0.29427%0.266SS..  trans-77.6125.2-175.8-48.80000109.9C303 Y319T301-C303 PolarHBondContact O-N 2.53Å; T301-Y319 WeakPolarHBondContact O-CE1 3.4Å; T301-Y319 PolarHBondContact O-OH 2.91Å
302F60Low68.5Low45 Ų4540.7 Ų40.720%0.19725%0.253CS..  trans-81.4115.5169.4-176.8-84.1000109.9Y18 K300 L309 V313 L314 F351Y18-F302 HydrophobicContact CD1-CB 3.67Å; Y18-F302 AromaticContact CD1-CD1 3.5Å; Y18-F302 HydrophobicContact CD1-CD1 3.5Å; Y18-F302 HydrophobicContact CD1-CD2 4.37Å; Y18-F302 HydrophobicContact CD1-CE1 4.19Å; Y18-F302 AromaticContact CD1-CG 3.63Å; Y18-F302 HydrophobicContact CD1-CG 3.63Å; Y18-F302 HydrophobicContact CD2-CB 3.2Å; Y18-F302 HydrophobicContact CD2-CD1 4.28Å; Y18-F302 AromaticContact CD2-CD2 3.74Å; Y18-F302 HydrophobicContact CD2-CD2 3.74Å; Y18-F302 AromaticContact CD2-CG 3.53Å; Y18-F302 HydrophobicContact CD2-CG 3.53Å; Y18-F302 HydrophobicContact CE1-CB 3.57Å; Y18-F302 HydrophobicContact CE1-CD1 4.01Å; Y18-F302 HydrophobicContact CE1-CG 4.04Å; Y18-F302 HydrophobicContact CE2-CB 3.1Å; Y18-F302 AromaticContact CE2-CG 3.97Å; Y18-F302 HydrophobicContact CE2-CG 3.97Å; Y18-F302 HydrophobicContact CG-CB 3.48Å; Y18-F302 VanDerWaalsContact CG-CB 3.48Å; Y18-F302 AromaticContact CG-CD1 3.63Å; Y18-F302 HydrophobicContact CG-CD1 3.63Å; Y18-F302 AromaticContact CG-CD2 3.64Å; Y18-F302 HydrophobicContact CG-CD2 3.64Å; Y18-F302 HydrophobicContact CG-CE1 4.22Å; Y18-F302 HydrophobicContact CG-CE2 4.21Å; Y18-F302 AromaticContact CG-CG 3.33Å; Y18-F302 HydrophobicContact CG-CG 3.33Å; Y18-F302 HydrophobicContact CG-CZ 4.48Å; K300-F302 PolarHBondContact O-N 3.5Å; F302-L309 HydrophobicContact CE1-CD1 4.1Å; F302-L309 HydrophobicContact CE2-CD1 3.87Å; F302-L309 HydrophobicContact CZ-CD1 3.55Å; F302-V313 HydrophobicContact CD2-CG1 4.37Å; F302-L314 HydrophobicContact CE2-CD2 3.74Å; F302-L314 HydrophobicContact CZ-CD2 4.18Å; F302-F351 HydrophobicContact CZ-CZ 4.36Å
303C63.5Low69.6Low15 Ų1538.3 Ų38.310%0.10123%0.227CC..  trans-156153178.459.10000110.1R266 L288 T301 L309R266-C303 VanDerWaalsContact CZ-SG 3.5Å; L288-C303 HydrophobicContact CD1-CB 4.07Å; L288-C303 HydrophobicContact CD2-CB 3.92Å; L288-C303 HydrophobicContact CG-CB 4.49Å; T301-C303 PolarHBondContact O-N 2.53Å; C303-L309 WeakPolarHBondContact O-CD2 3.26Å
304G66Low70.6Confident25 Ų2538 Ų3826%0.25823%0.225SC..SBendtrans121.5173.9179.500000112.6
305T75.8Confident71.2Confident32 Ų3233.8 Ų33.820%0.19621%0.208CC..  trans-77.2126.2175.9-61.80000110.2K269 E307 Y308 L309K269-T305 VanDerWaalsContact CD-OG1 3.26Å; K269-T305 WeakPolarHBondContact CD-OG1 3.27Å; K269-T305 PolarHBondContact NZ-OG1 3.02Å; T305-E307 VanDerWaalsContact C-N 3.28Å; T305-E307 VanDerWaalsContact CG2-OE2 3.24Å; T305-E307 WeakPolarHBondContact CG2-OE2 3.37Å; T305-E307 PolarHBondContact O-N 2.83Å; T305-E307 VanDerWaalsContact O-N 3.08Å; T305-Y308 HydrophobicContact CG2-CD2 3.77Å; T305-Y308 HydrophobicContact CG2-CE2 4.2Å; T305-Y308 PolarHBondContact O-N 3.38Å; T305-L309 PolarHBondContact O-N 2.67Å
306P84.3Confident71.6Confident30 Ų3028.3 Ų28.320%0.19518%0.178CC..G310 helixtrans-45.9-43.5-172.5-33.537.8000116Y308 L309 L350 F351 I354P306-Y308 PolarHBondContact O-N 2.78Å; P306-L309 PolarHBondContact O-N 3.48Å; P306-L350 HydrophobicContact CB-CD2 3.91Å; P306-F351 HydrophobicContact CB-CE1 4.02Å; P306-I354 WeakPolarHBondContact O-CD1 3.33Å
307E89.1Confident72.2Confident39 Ų3925.8 Ų25.818%0.18215%0.148CC..G310 helixtrans-67.6-19.1-177.4-63.485166.900113.5T305 L340 L350T305-E307 VanDerWaalsContact C-N 3.28Å; T305-E307 VanDerWaalsContact CG2-OE2 3.24Å; T305-E307 WeakPolarHBondContact CG2-OE2 3.37Å; T305-E307 PolarHBondContact O-N 2.83Å; T305-E307 VanDerWaalsContact O-N 3.08Å; E307-L340 HydrophobicContact CB-CD1 3.82Å; E307-L340 HydrophobicContact CB-CD2 4.3Å; E307-L340 HydrophobicContact CG-CD1 3.8Å; E307-L350 HydrophobicContact CG-CD2 3.9Å
308Y92.6Very high73.1Confident20 Ų2025.1 Ų25.18%0.07814%0.139CC..G310 helixtrans-106.7-6.5-178.4-65.1-97.5000112.8L268 K269 E271 T305 P306 A310 W326 V330 V331 E334 L340L268-Y308 WeakPolarHBondContact O-CD1 3.44Å; K269-Y308 HydrophobicContact CB-CD1 3.72Å; K269-Y308 HydrophobicContact CB-CD2 3.95Å; K269-Y308 HydrophobicContact CB-CE1 3.59Å; K269-Y308 HydrophobicContact CB-CE2 3.79Å; K269-Y308 HydrophobicContact CB-CG 3.89Å; E271-Y308 PolarHBondContact OE2-OH 3.04Å; T305-Y308 HydrophobicContact CG2-CD2 3.77Å; T305-Y308 HydrophobicContact CG2-CE2 4.2Å; T305-Y308 PolarHBondContact O-N 3.38Å; P306-Y308 PolarHBondContact O-N 2.78Å; Y308-A310 PolarHBondContact O-N 3.48Å; Y308-W326 VanDerWaalsContact O-CD1 3.31Å; Y308-W326 PolarHBondContact O-NE1 3.49Å; Y308-V330 HydrophobicContact CD1-CB 3.96Å; Y308-V330 HydrophobicContact CD1-CG1 3.37Å; Y308-V330 HydrophobicContact CE1-CB 4.45Å; Y308-V330 HydrophobicContact CE1-CG1 3.62Å; Y308-V330 HydrophobicContact CG-CG1 4.09Å; Y308-V331 HydrophobicContact CD1-CG2 4.44Å; Y308-V331 HydrophobicContact CE1-CG2 4.07Å; Y308-E334 PolarHBondContact OH-OE2 3.08Å; Y308-L340 HydrophobicContact CE1-CD2 4.39Å; Y308-L340 HydrophobicContact CE2-CD2 4.17Å
309L89.4Confident74.1Confident7 Ų723.2 Ų23.24%0.03713%0.126CC..  trans-66.1133.6-177.6-66.3-179.4000111.5F302 C303 T305 P306 V313 L314 W326F302-L309 HydrophobicContact CE1-CD1 4.1Å; F302-L309 HydrophobicContact CE2-CD1 3.87Å; F302-L309 HydrophobicContact CZ-CD1 3.55Å; C303-L309 WeakPolarHBondContact O-CD2 3.26Å; T305-L309 PolarHBondContact O-N 2.67Å; P306-L309 PolarHBondContact O-N 3.48Å; L309-V313 HydrophobicContact CD2-CG1 4.15Å; L309-L314 HydrophobicContact CB-CD2 3.89Å; L309-L314 HydrophobicContact CB-CG 4.15Å; L309-L314 HydrophobicContact CD1-CD2 3.59Å; L309-L314 HydrophobicContact CG-CD2 4.38Å; L309-W326 PolarHBondContact O-NE1 3.45Å; L309-W326 VanDerWaalsContact O-NE1 3.12Å
310A91Very high75.1Confident3 Ų323.7 Ų23.73%0.02513%0.133CC..  trans-70.4148.6172.500000111Y308 E312 V313 L314 V323 W326Y308-A310 PolarHBondContact O-N 3.48Å; A310-E312 VanDerWaalsContact C-N 3.27Å; A310-E312 WeakPolarHBondContact CB-OE2 3.46Å; A310-E312 PolarHBondContact O-N 3.49Å; A310-V313 HydrophobicContact CB-CG2 4.16Å; A310-V313 WeakPolarHBondContact O-CB 3.49Å; A310-V313 PolarHBondContact O-N 3.11Å; A310-L314 PolarHBondContact O-N 3.38Å; A310-V323 HydrophobicContact CB-CB 4.24Å; A310-V323 HydrophobicContact CB-CG1 4.06Å; A310-W326 VanDerWaalsContact CA-CD1 3.46Å; A310-W326 HydrophobicContact CB-CB 3.77Å; A310-W326 HydrophobicContact CB-CD2 4.19Å; A310-W326 HydrophobicContact CB-CG 3.62Å
311P91.4Very high76.7Confident6 Ų622.3 Ų22.34%0.03913%0.126CC..Hα-helixtrans-51.6-42.5-179.7-31.739.2000113.7V313 L314 E315 W326 I354 L355 K379P311-V313 VanDerWaalsContact C-N 3.28Å; P311-V313 PolarHBondContact O-N 3.34Å; P311-L314 WeakPolarHBondContact O-CB 3.38Å; P311-L314 PolarHBondContact O-N 2.96Å; P311-L314 VanDerWaalsContact O-N 3.15Å; P311-E315 WeakPolarHBondContact O-CG 3.46Å; P311-E315 PolarHBondContact O-N 2.86Å; P311-W326 HydrophobicContact CG-CE3 4.25Å; P311-W326 HydrophobicContact CG-CH2 3.65Å; P311-W326 HydrophobicContact CG-CZ2 4.1Å; P311-W326 HydrophobicContact CG-CZ3 3.73Å; P311-I354 HydrophobicContact CG-CG2 3.93Å; P311-L355 HydrophobicContact CB-CD2 4.01Å; P311-K379 HydrophobicContact CB-CB 4.47Å; P311-K379 HydrophobicContact CG-CB 4.12Å; P311-K379 HydrophobicContact CG-CG 4.32Å
312E86Confident78.4Confident6 Ų620.4 Ų20.43%0.02812%0.115CC..Hα-helixtrans-67.3-26.8-179.865.3-86.9-153.400113.6A310 N317 Y319 V323 P381 R384A310-E312 VanDerWaalsContact C-N 3.27Å; A310-E312 WeakPolarHBondContact CB-OE2 3.46Å; A310-E312 PolarHBondContact O-N 3.49Å; E312-N317 HydrophobicContact CB-CB 4.47Å; E312-N317 PolarHBondContact O-N 3.06Å; E312-N317 VanDerWaalsContact O-N 3.15Å; E312-Y319 VanDerWaalsContact CG-CB 3.48Å; E312-V323 HydrophobicContact CG-CG1 4.12Å; E312-V323 WeakPolarHBondContact OE1-CG1 3.29Å; E312-P381 HydrophobicContact CB-CG 4.42Å; E312-P381 HydrophobicContact CG-CG 4.37Å; E312-R384 IonicContact OE1-CZ 3.94Å; E312-R384 IonicContact OE1-NH1 3.98Å; E312-R384 PolarHBondContact OE1-NH1 3.08Å; E312-R384 IonicContact OE1-NH2 3.02Å; E312-R384 PolarHBondContact OE1-NH2 2.68Å; E312-R384 IonicContact OE2-CZ 3.49Å; E312-R384 IonicContact OE2-NH1 3.99Å; E312-R384 PolarHBondContact OE2-NH1 3.16Å; E312-R384 IonicContact OE2-NH2 3.33Å; E312-R384 PolarHBondContact OE2-NH2 2.85Å
313V83.7Confident79.9Confident8 Ų818.8 Ų18.85%0.04811%0.109CC..Hα-helixtrans-72.2-40.3172.9-177.10000109.9F302 L309 A310 P311 E315 D316 Y319 V323F302-V313 HydrophobicContact CD2-CG1 4.37Å; L309-V313 HydrophobicContact CD2-CG1 4.15Å; A310-V313 HydrophobicContact CB-CG2 4.16Å; A310-V313 WeakPolarHBondContact O-CB 3.49Å; A310-V313 PolarHBondContact O-N 3.11Å; P311-V313 VanDerWaalsContact C-N 3.28Å; P311-V313 PolarHBondContact O-N 3.34Å; V313-E315 VanDerWaalsContact C-N 3.26Å; V313-E315 PolarHBondContact O-N 2.98Å; V313-D316 PolarHBondContact O-N 2.83Å; V313-Y319 HydrophobicContact CB-CD1 4.47Å; V313-Y319 HydrophobicContact CB-CE1 4.46Å; V313-Y319 HydrophobicContact CG1-CE1 4.22Å; V313-Y319 HydrophobicContact CG2-CD1 3.91Å; V313-Y319 HydrophobicContact CG2-CD2 4.03Å; V313-Y319 HydrophobicContact CG2-CE1 4.02Å; V313-Y319 HydrophobicContact CG2-CE2 4.1Å; V313-Y319 HydrophobicContact CG2-CG 3.93Å; V313-V323 HydrophobicContact CG2-CB 4.43Å; V313-V323 HydrophobicContact CG2-CG1 3.69Å
314L80.9Confident81.4Confident2 Ų218.1 Ų18.11%0.0111%0.105CC..Hα-helixtrans-65.7-30.1175.4-65.6-177.8000112.7I19 F302 L309 A310 P311 D316 F351 I354 L355I19-L314 HydrophobicContact CD1-CB 4.1Å; I19-L314 WeakPolarHBondContact CD1-O 3.41Å; F302-L314 HydrophobicContact CE2-CD2 3.74Å; F302-L314 HydrophobicContact CZ-CD2 4.18Å; L309-L314 HydrophobicContact CB-CD2 3.89Å; L309-L314 HydrophobicContact CB-CG 4.15Å; L309-L314 HydrophobicContact CD1-CD2 3.59Å; L309-L314 HydrophobicContact CG-CD2 4.38Å; A310-L314 PolarHBondContact O-N 3.38Å; P311-L314 WeakPolarHBondContact O-CB 3.38Å; P311-L314 PolarHBondContact O-N 2.96Å; P311-L314 VanDerWaalsContact O-N 3.15Å; L314-D316 VanDerWaalsContact C-N 3.27Å; L314-D316 PolarHBondContact O-N 3.28Å; L314-F351 HydrophobicContact CD1-CB 4.19Å; L314-F351 HydrophobicContact CD1-CD1 3.86Å; L314-F351 HydrophobicContact CD1-CG 4.3Å; L314-F351 HydrophobicContact CD2-CD1 3.53Å; L314-F351 HydrophobicContact CD2-CE1 3.61Å; L314-F351 HydrophobicContact CD2-CG 4.17Å; L314-F351 HydrophobicContact CD2-CZ 4.32Å; L314-F351 HydrophobicContact CG-CD1 4.36Å; L314-I354 HydrophobicContact CD1-CB 3.75Å; L314-I354 HydrophobicContact CD1-CD1 4.02Å; L314-I354 HydrophobicContact CD1-CG2 3.49Å; L314-I354 VanDerWaalsContact CD1-CG2 3.49Å; L314-L355 HydrophobicContact CB-CD2 4.16Å; L314-L355 HydrophobicContact CD1-CD2 4.41Å; L314-L355 HydrophobicContact CD1-CG 4.26Å
315E71.1Confident82.9Confident58 Ų5817 Ų1727%0.2719%0.092SC..THydrogen-bonded Turntrans-81.1-0.5-177.1-73-164.4151.400115.1R23 P311 V313 N317 L355R23-E315 VanDerWaalsContact NH1-CB 3.29Å; R23-E315 PolarHBondContact NH1-O 3.3Å; P311-E315 WeakPolarHBondContact O-CG 3.46Å; P311-E315 PolarHBondContact O-N 2.86Å; V313-E315 VanDerWaalsContact C-N 3.26Å; V313-E315 PolarHBondContact O-N 2.98Å; E315-N317 HydrophobicContact CB-CB 4.42Å; E315-N317 WeakPolarHBondContact CB-ND2 3.44Å; E315-N317 PolarHBondContact O-N 3Å; E315-N317 PolarHBondContact OE2-ND2 2.72Å; E315-L355 HydrophobicContact CG-CD2 3.58Å
316D64.1Low84Confident20 Ų2015.5 Ų15.511%0.1078%0.083CC..THydrogen-bonded Turntrans52.331.7-167-80.9-27.8000111.5E17 Y18 V313 L314E17-D316 PolarHBondContact N-OD2 3.15Å; Y18-D316 WeakPolarHBondContact CD2-OD1 3.41Å; Y18-D316 VanDerWaalsContact CE2-OD1 3.26Å; Y18-D316 WeakPolarHBondContact CE2-OD1 3.13Å; V313-D316 PolarHBondContact O-N 2.83Å; L314-D316 VanDerWaalsContact C-N 3.27Å; L314-D316 PolarHBondContact O-N 3.28Å
317N62.3Low84.6Confident22 Ų2214.2 Ų14.212%0.1188%0.076CC..  trans-84.6158.1174.1-68-20.9000109.5L52 E312 E315 Y319L52-N317 HydrophobicContact CD2-CB 4.13Å; E312-N317 HydrophobicContact CB-CB 4.47Å; E312-N317 PolarHBondContact O-N 3.06Å; E312-N317 VanDerWaalsContact O-N 3.15Å; E315-N317 HydrophobicContact CB-CB 4.42Å; E315-N317 WeakPolarHBondContact CB-ND2 3.44Å; E315-N317 PolarHBondContact O-N 3Å; E315-N317 PolarHBondContact OE2-ND2 2.72Å; N317-Y319 WeakPolarHBondContact O-CD1 3.37Å; N317-Y319 PolarHBondContact O-N 3.32Å
318D64.7Low85.1Confident23 Ų2312.4 Ų12.412%0.1237%0.067CC..  trans-58.3120.1164.7-93.8-40.5000109.8P51 L52 T298 M299 K300P51-D318 VanDerWaalsContact C-OD2 3.23Å; L52-D318 HydrophobicContact CD2-CB 4.14Å; T298-D318 WeakPolarHBondContact CB-OD1 3.22Å; T298-D318 HydrophobicContact CG2-CB 3.78Å; T298-D318 VanDerWaalsContact OG1-CB 3.26Å; T298-D318 WeakPolarHBondContact OG1-CB 3.45Å; T298-D318 PolarHBondContact OG1-OD1 3.47Å; M299-D318 WeakPolarHBondContact O-CA 3.25Å; K300-D318 WeakPolarHBondContact CE-OD1 3.45Å; K300-D318 WeakPolarHBondContact CG-OD1 3.36Å; K300-D318 IonicContact NZ-OD2 3.68Å
319Y69.5Low85.4Confident7 Ų711.4 Ų11.43%0.0276%0.063CC..BIsolated β-bridgetrans-125.9150.2-178.167.1-97.9000112.6R266 T298 M299 T301 E312 V313 N317 V323R266-Y319 WeakPolarHBondContact CD-OH 3.34Å; R266-Y319 HydrophobicContact CG-CE2 4.41Å; R266-Y319 PolarHBondContact NH1-OH 3.27Å; T298-Y319 CarbonylContact C-O 3.59Å; T298-Y319 VanDerWaalsContact CA-O 3.25Å; T298-Y319 WeakPolarHBondContact CA-O 2.95Å; M299-Y319 HydrophobicContact CE-CD2 3.68Å; M299-Y319 HydrophobicContact CE-CE2 3.64Å; M299-Y319 WeakPolarHBondContact CE-O 3.32Å; M299-Y319 HydrophobicContact CG-CD1 4.05Å; M299-Y319 HydrophobicContact CG-CD2 3.46Å; M299-Y319 VanDerWaalsContact CG-CD2 3.46Å; M299-Y319 HydrophobicContact CG-CE1 3.71Å; M299-Y319 HydrophobicContact CG-CE2 3.08Å; M299-Y319 HydrophobicContact CG-CG 3.93Å; M299-Y319 WeakPolarHBondContact CG-O 3.36Å; M299-Y319 PolarHBondContact N-O 3.31Å; M299-Y319 WeakPolarHBondContact O-CD1 3.26Å; M299-Y319 WeakPolarHBondContact O-CE1 3.41Å; M299-Y319 PolarHBondContact O-N 2.7Å; M299-Y319 HydrophobicContact SD-CD2 3.85Å; M299-Y319 HydrophobicContact SD-CE2 3.22Å; M299-Y319 WeakPolarHBondContact SD-CE2 3.17Å; T301-Y319 WeakPolarHBondContact O-CE1 3.4Å; T301-Y319 PolarHBondContact O-OH 2.91Å; E312-Y319 VanDerWaalsContact CG-CB 3.48Å; V313-Y319 HydrophobicContact CB-CD1 4.47Å; V313-Y319 HydrophobicContact CB-CE1 4.46Å; V313-Y319 HydrophobicContact CG1-CE1 4.22Å; V313-Y319 HydrophobicContact CG2-CD1 3.91Å; V313-Y319 HydrophobicContact CG2-CD2 4.03Å; V313-Y319 HydrophobicContact CG2-CE1 4.02Å; V313-Y319 HydrophobicContact CG2-CE2 4.1Å; V313-Y319 HydrophobicContact CG2-CG 3.93Å; N317-Y319 WeakPolarHBondContact O-CD1 3.37Å; N317-Y319 PolarHBondContact O-N 3.32Å; Y319-V323 HydrophobicContact CD2-CB 4.35Å; Y319-V323 HydrophobicContact CD2-CG1 3.38Å; Y319-V323 HydrophobicContact CD2-CG2 4.1Å; Y319-V323 HydrophobicContact CE2-CG1 4.16Å; Y319-V323 HydrophobicContact CE2-CG2 4.3Å; Y319-V323 HydrophobicContact CG-CG1 3.89Å
320G80.3Confident85.8Confident18 Ų1811.1 Ų11.119%0.1866%0.062CC..  trans-122.4-153.7-174.800000112.9A322 V323G320-A322 PolarHBondContact O-N 3.15Å; G320-A322 VanDerWaalsContact O-N 3.14Å; G320-V323 WeakPolarHBondContact O-CG2 3.4Å; G320-V323 PolarHBondContact O-N 3.22Å
321R87.3Confident86.2Confident35 Ų3511 Ų1113%0.1326%0.061CC..THydrogen-bonded Turntrans-55.6-27.4179.1-68.3173.8-172156.95.1114.1H258 N262 V264 I293 D295 V323 D324H258-R321 HydrophobicContact CB-CG 4.5Å; N262-R321 PolarHBondContact OD1-NH2 2.84Å; V264-R321 HydrophobicContact CG2-CG 3.89Å; I293-R321 HydrophobicContact CG2-CG 4.43Å; I293-R321 PolarHBondContact O-NH2 2.79Å; D295-R321 IonicContact OD1-CZ 2.69Å; D295-R321 IonicContact OD1-NH1 3.18Å; D295-R321 PolarHBondContact OD1-NH1 3.08Å; D295-R321 IonicContact OD1-NH2 2.76Å; D295-R321 PolarHBondContact OD1-NH2 3.26Å; R321-V323 PolarHBondContact O-N 3.41Å; R321-D324 PolarHBondContact O-N 3.45Å; R321-D324 VanDerWaalsContact O-N 3.09Å
322A92.8Very high86.5Confident7 Ų710.7 Ų10.76%0.0586%0.059CC..Hα-helixtrans-58.1-18.8-17900000115G320 D324 W325 W326 P381 R384G320-A322 PolarHBondContact O-N 3.15Å; G320-A322 VanDerWaalsContact O-N 3.14Å; A322-D324 VanDerWaalsContact C-N 3.33Å; A322-W325 PolarHBondContact O-N 3.15Å; A322-W326 PolarHBondContact O-N 3.3Å; A322-W326 VanDerWaalsContact O-N 3.16Å; A322-P381 HydrophobicContact CB-CB 3.83Å; A322-R384 WeakPolarHBondContact O-CD 3.44Å; A322-R384 PolarHBondContact O-NH1 3.47Å
323V92.1Very high87.1Confident12 Ų1210.6 Ų10.67%0.0736%0.058CC..Hα-helixtrans-67.2-33.8176.4-59.80000112.5V264 R266 A310 E312 V313 Y319 G320 R321 W325 W326 G327V264-V323 HydrophobicContact CG1-CG2 3.52Å; R266-V323 HydrophobicContact CG-CG2 4.22Å; A310-V323 HydrophobicContact CB-CB 4.24Å; A310-V323 HydrophobicContact CB-CG1 4.06Å; E312-V323 HydrophobicContact CG-CG1 4.12Å; E312-V323 WeakPolarHBondContact OE1-CG1 3.29Å; V313-V323 HydrophobicContact CG2-CB 4.43Å; V313-V323 HydrophobicContact CG2-CG1 3.69Å; Y319-V323 HydrophobicContact CD2-CB 4.35Å; Y319-V323 HydrophobicContact CD2-CG1 3.38Å; Y319-V323 HydrophobicContact CD2-CG2 4.1Å; Y319-V323 HydrophobicContact CE2-CG1 4.16Å; Y319-V323 HydrophobicContact CE2-CG2 4.3Å; Y319-V323 HydrophobicContact CG-CG1 3.89Å; G320-V323 WeakPolarHBondContact O-CG2 3.4Å; G320-V323 PolarHBondContact O-N 3.22Å; R321-V323 PolarHBondContact O-N 3.41Å; V323-W325 VanDerWaalsContact C-N 3.28Å; V323-W325 PolarHBondContact O-N 3.21Å; V323-W326 WeakPolarHBondContact O-CB 3.46Å; V323-W326 PolarHBondContact O-N 3.5Å; V323-G327 PolarHBondContact O-N 3.09Å
324D94.9Very high87.8Confident1 Ų111.2 Ų11.21%0.0056%0.061CC..Hα-helixtrans-70.4-31.3178.6-73.2-15.8000110.7L254 H258 V264 Y265 R266 R321 A322 G327 L328L254-D324 HydrophobicContact CD1-CB 4.12Å; L254-D324 HydrophobicContact CD2-CB 4.08Å; H258-D324 IonicContact CD2-OD2 3.01Å; H258-D324 IonicContact CE1-OD2 3.25Å; H258-D324 IonicContact NE2-OD2 2.84Å; H258-D324 PolarHBondContact NE2-OD2 2.7Å; V264-D324 WeakPolarHBondContact CG1-OD2 3.09Å; Y265-D324 WeakPolarHBondContact CB-OD2 3.39Å; Y265-D324 PolarHBondContact N-OD2 2.99Å; R266-D324 WeakPolarHBondContact CA-OD1 3.42Å; R266-D324 PolarHBondContact N-OD1 3.35Å; R321-D324 PolarHBondContact O-N 3.45Å; R321-D324 VanDerWaalsContact O-N 3.09Å; A322-D324 VanDerWaalsContact C-N 3.33Å; D324-G327 PolarHBondContact O-N 3.02Å; D324-L328 PolarHBondContact O-N 3.08Å
325W98.5Very high88.7Confident0 Ų011.1 Ų11.10%06%0.06CC..Hα-helixtrans-72.2-33173.7-52.2136.9000113.2V251 L254 H258 A322 V323 L328 G329 L376 G386 D391 A392 I395V251-W325 HydrophobicContact CG2-CZ3 4.35Å; L254-W325 HydrophobicContact CB-CH2 3.64Å; L254-W325 HydrophobicContact CB-CZ3 3.74Å; L254-W325 HydrophobicContact CD1-CE3 4Å; L254-W325 HydrophobicContact CD1-CH2 4.35Å; L254-W325 HydrophobicContact CD1-CZ3 3.6Å; L254-W325 HydrophobicContact CG-CZ3 4.34Å; H258-W325 AromaticContact CE1-CE2 3.78Å; H258-W325 AromaticContact CE1-CZ2 3.65Å; H258-W325 AromaticContact CE1-NE1 3.97Å; H258-W325 AromaticContact ND1-CE2 3.98Å; H258-W325 AromaticContact ND1-CZ2 3.54Å; A322-W325 PolarHBondContact O-N 3.15Å; V323-W325 VanDerWaalsContact C-N 3.28Å; V323-W325 PolarHBondContact O-N 3.21Å; W325-L328 HydrophobicContact CE3-CD2 3.94Å; W325-L328 HydrophobicContact CZ3-CD2 4.22Å; W325-L328 PolarHBondContact O-N 3.02Å; W325-G329 PolarHBondContact O-N 3.46Å; W325-L376 HydrophobicContact CB-CD2 4.07Å; W325-G386 VanDerWaalsContact CD1-C 3.43Å; W325-G386 PolarHBondContact NE1-O 3.43Å; W325-D391 WeakPolarHBondContact CZ2-OD2 3.5Å; W325-D391 PolarHBondContact NE1-OD1 3.49Å; W325-A392 HydrophobicContact CH2-CB 3.62Å; W325-A392 HydrophobicContact CZ2-CB 3.65Å; W325-I395 HydrophobicContact CB-CD1 4.17Å; W325-I395 HydrophobicContact CD2-CD1 3.24Å; W325-I395 HydrophobicContact CE3-CD1 3.2Å; W325-I395 HydrophobicContact CG-CD1 3.68Å; W325-I395 HydrophobicContact CH2-CD1 4.18Å; W325-I395 HydrophobicContact CZ2-CD1 4.22Å; W325-I395 HydrophobicContact CZ3-CD1 3.69Å
326W98.3Very high90Very high1 Ų19 Ų90%0.0045%0.05CC..Hα-helixtrans-62-49.4167.1174.9-86000110.7Y308 L309 A310 P311 A322 V323 L328 G329 V330 F342 I354 L377Y308-W326 VanDerWaalsContact O-CD1 3.31Å; Y308-W326 PolarHBondContact O-NE1 3.49Å; L309-W326 PolarHBondContact O-NE1 3.45Å; L309-W326 VanDerWaalsContact O-NE1 3.12Å; A310-W326 VanDerWaalsContact CA-CD1 3.46Å; A310-W326 HydrophobicContact CB-CB 3.77Å; A310-W326 HydrophobicContact CB-CD2 4.19Å; A310-W326 HydrophobicContact CB-CG 3.62Å; P311-W326 HydrophobicContact CG-CE3 4.25Å; P311-W326 HydrophobicContact CG-CH2 3.65Å; P311-W326 HydrophobicContact CG-CZ2 4.1Å; P311-W326 HydrophobicContact CG-CZ3 3.73Å; A322-W326 PolarHBondContact O-N 3.3Å; A322-W326 VanDerWaalsContact O-N 3.16Å; V323-W326 WeakPolarHBondContact O-CB 3.46Å; V323-W326 PolarHBondContact O-N 3.5Å; W326-L328 VanDerWaalsContact C-N 3.27Å; W326-L328 PolarHBondContact O-N 3.27Å; W326-G329 CarbonylContact O-C 3.52Å; W326-G329 WeakPolarHBondContact O-CA 3.5Å; W326-G329 PolarHBondContact O-N 2.96Å; W326-V330 PolarHBondContact O-N 3.11Å; W326-F342 AromaticContact CH2-CE2 3.77Å; W326-F342 HydrophobicContact CH2-CE2 3.77Å; W326-F342 HydrophobicContact CH2-CZ 4.42Å; W326-F342 HydrophobicContact CZ2-CD2 4.27Å; W326-F342 AromaticContact CZ2-CE2 3.77Å; W326-F342 HydrophobicContact CZ2-CE2 3.77Å; W326-I354 HydrophobicContact CH2-CG2 4.45Å; W326-I354 HydrophobicContact CZ2-CG2 3.95Å; W326-L377 HydrophobicContact CD2-CD2 3.79Å; W326-L377 HydrophobicContact CE3-CB 4.47Å; W326-L377 HydrophobicContact CE3-CD2 3.88Å; W326-L377 HydrophobicContact CG-CD2 4.33Å; W326-L377 HydrophobicContact CH2-CD2 4.3Å; W326-L377 HydrophobicContact CZ2-CD2 4.2Å; W326-L377 HydrophobicContact CZ3-CB 4.2Å; W326-L377 HydrophobicContact CZ3-CD2 4.14Å; W326-L377 WeakPolarHBondContact CZ3-O 3.35Å
327G97.8Very high91.6Very high4 Ų48.7 Ų8.74%0.0415%0.05CC..Hα-helixtrans-54.9-42.8175.800000112.1V323 D324 G329 V330 V331V323-G327 PolarHBondContact O-N 3.09Å; D324-G327 PolarHBondContact O-N 3.02Å; G327-G329 VanDerWaalsContact C-N 3.31Å; G327-G329 PolarHBondContact O-N 3.21Å; G327-V330 PolarHBondContact O-N 3.29Å; G327-V331 WeakPolarHBondContact O-CB 3.24Å; G327-V331 WeakPolarHBondContact O-CG2 3.38Å; G327-V331 PolarHBondContact O-N 3.23Å
328L98.8Very high93.2Very high0 Ų09.4 Ų9.40%06%0.062CC..Hα-helixtrans-60.5-42.9175177.666.8000110.9I250 V251 L268 D324 W325 W326 V330 V331 M332 L376 I395I250-L328 HydrophobicContact CB-CD1 4.19Å; I250-L328 HydrophobicContact CG2-CD1 3.8Å; V251-L328 HydrophobicContact CG2-CD2 3.45Å; V251-L328 VanDerWaalsContact CG2-CD2 3.45Å; L268-L328 HydrophobicContact CD2-CB 4.03Å; L268-L328 VanDerWaalsContact CD2-N 3.34Å; D324-L328 PolarHBondContact O-N 3.08Å; W325-L328 HydrophobicContact CE3-CD2 3.94Å; W325-L328 HydrophobicContact CZ3-CD2 4.22Å; W325-L328 PolarHBondContact O-N 3.02Å; W326-L328 VanDerWaalsContact C-N 3.27Å; W326-L328 PolarHBondContact O-N 3.27Å; L328-V330 PolarHBondContact O-N 3.26Å; L328-V331 PolarHBondContact O-N 2.61Å; L328-M332 HydrophobicContact CD1-CG 3.86Å; L328-M332 HydrophobicContact CD1-SD 3.78Å; L328-M332 HydrophobicContact CD2-SD 4.41Å; L328-M332 HydrophobicContact CG-CG 4.26Å; L328-M332 HydrophobicContact CG-SD 3.91Å; L328-M332 VanDerWaalsContact O-CB 3.27Å; L328-M332 WeakPolarHBondContact O-CB 3.4Å; L328-M332 VanDerWaalsContact O-CG 3.28Å; L328-M332 WeakPolarHBondContact O-CG 3.42Å; L328-M332 PolarHBondContact O-N 3.12Å; L328-L376 HydrophobicContact CD2-CD1 4.11Å; L328-L376 HydrophobicContact CD2-CD2 4.28Å; L328-L376 HydrophobicContact CG-CD1 4.08Å; L328-I395 HydrophobicContact CD2-CD1 4.38Å; L328-I395 HydrophobicContact CD2-CG2 4.38Å
329G98.7Very high94.6Very high0 Ų014.5 Ų14.50%08%0.08CC..Hα-helixtrans-57.4-46.1173.900000112.6W325 W326 G327 Y333W325-G329 PolarHBondContact O-N 3.46Å; W326-G329 CarbonylContact O-C 3.52Å; W326-G329 WeakPolarHBondContact O-CA 3.5Å; W326-G329 PolarHBondContact O-N 2.96Å; G327-G329 VanDerWaalsContact C-N 3.31Å; G327-G329 PolarHBondContact O-N 3.21Å; G329-Y333 WeakPolarHBondContact O-CB 3.13Å; G329-Y333 PolarHBondContact O-N 3.18Å
330V98.6Very high95.9Very high0 Ų015.7 Ų15.70%09%0.086CC..Hα-helixtrans-63.4-50.5179178.80000110.5Y308 W326 G327 L328 M332 Y333 E334 L340 P341 L377Y308-V330 HydrophobicContact CD1-CB 3.96Å; Y308-V330 HydrophobicContact CD1-CG1 3.37Å; Y308-V330 HydrophobicContact CE1-CB 4.45Å; Y308-V330 HydrophobicContact CE1-CG1 3.62Å; Y308-V330 HydrophobicContact CG-CG1 4.09Å; W326-V330 PolarHBondContact O-N 3.11Å; G327-V330 PolarHBondContact O-N 3.29Å; L328-V330 PolarHBondContact O-N 3.26Å; V330-M332 PolarHBondContact O-N 2.62Å; V330-Y333 PolarHBondContact O-N 3Å; V330-E334 WeakPolarHBondContact O-CB 3.41Å; V330-E334 PolarHBondContact O-N 2.73Å; V330-L340 HydrophobicContact CG1-CD2 4.03Å; V330-P341 HydrophobicContact CB-CG 4.38Å; V330-P341 HydrophobicContact CG1-CG 4.01Å; V330-P341 HydrophobicContact CG2-CG 4.11Å; V330-L377 HydrophobicContact CG2-CD2 3.84Å
331V98.5Very high96.7Very high0 Ų015.7 Ų15.70%08%0.083CC..Hα-helixtrans-59.6-47.5179.1162.20000111.8I250 L268 L270 L273 Y308 G327 L328 E334 M335I250-V331 HydrophobicContact CD1-CG1 4.29Å; L268-V331 HydrophobicContact CD2-CG2 4.43Å; L268-V331 HydrophobicContact CG-CG2 4.29Å; L270-V331 HydrophobicContact CD2-CG1 3.97Å; L273-V331 HydrophobicContact CD1-CG1 3.69Å; L273-V331 HydrophobicContact CD1-CG2 4.34Å; Y308-V331 HydrophobicContact CD1-CG2 4.44Å; Y308-V331 HydrophobicContact CE1-CG2 4.07Å; G327-V331 WeakPolarHBondContact O-CB 3.24Å; G327-V331 WeakPolarHBondContact O-CG2 3.38Å; G327-V331 PolarHBondContact O-N 3.23Å; L328-V331 PolarHBondContact O-N 2.61Å; V331-E334 PolarHBondContact O-N 2.73Å; V331-M335 HydrophobicContact CG1-CE 3.8Å; V331-M335 WeakPolarHBondContact O-CG 3.35Å; V331-M335 PolarHBondContact O-N 3.05Å
332M98.7Very high97.2Very high0 Ų014.5 Ų14.50%08%0.079CC..Hα-helixtrans-68.3-36.4179.1-71.9-170.675.700112.6L328 V330 M335 M336 L372 L373 L376 F400 F401L328-M332 HydrophobicContact CD1-CG 3.86Å; L328-M332 HydrophobicContact CD1-SD 3.78Å; L328-M332 HydrophobicContact CD2-SD 4.41Å; L328-M332 HydrophobicContact CG-CG 4.26Å; L328-M332 HydrophobicContact CG-SD 3.91Å; L328-M332 VanDerWaalsContact O-CB 3.27Å; L328-M332 WeakPolarHBondContact O-CB 3.4Å; L328-M332 VanDerWaalsContact O-CG 3.28Å; L328-M332 WeakPolarHBondContact O-CG 3.42Å; L328-M332 PolarHBondContact O-N 3.12Å; V330-M332 PolarHBondContact O-N 2.62Å; M332-M335 HydrophobicContact CB-CE 4.3Å; M332-M335 HydrophobicContact CG-CE 3.81Å; M332-M336 HydrophobicContact CB-CE 4Å; M332-M336 HydrophobicContact CE-CE 4.27Å; M332-M336 VanDerWaalsContact O-CE 3.24Å; M332-M336 WeakPolarHBondContact O-CE 3.24Å; M332-M336 WeakPolarHBondContact O-CG 3.46Å; M332-M336 PolarHBondContact O-N 2.91Å; M332-M336 VanDerWaalsContact O-N 3.08Å; M332-L372 HydrophobicContact CE-CD2 3.5Å; M332-L372 VanDerWaalsContact CE-CD2 3.5Å; M332-L372 HydrophobicContact SD-CD2 3.87Å; M332-L373 HydrophobicContact CB-CD2 3.78Å; M332-L376 HydrophobicContact SD-CD1 4.39Å; M332-F400 HydrophobicContact CE-CD1 4.1Å; M332-F400 HydrophobicContact CE-CE1 3.41Å; M332-F400 VanDerWaalsContact CE-CE1 3.41Å; M332-F400 HydrophobicContact CE-CZ 4.02Å; M332-F401 HydrophobicContact CE-CZ 3.97Å; M332-F401 HydrophobicContact SD-CZ 4.26Å
333Y98.7Very high97.3Very high5 Ų520.8 Ų20.82%0.0210%0.102CC..Hα-helixtrans-61.6-47.4173.4-179.1-80000110.2G329 V330 M335 M336 C337 R339 P341 I359 R360 F361 L373G329-Y333 WeakPolarHBondContact O-CB 3.13Å; G329-Y333 PolarHBondContact O-N 3.18Å; V330-Y333 PolarHBondContact O-N 3Å; Y333-M335 PolarHBondContact O-N 2.93Å; Y333-M336 PolarHBondContact O-N 3.2Å; Y333-C337 HydrophobicContact CD1-CB 4.02Å; Y333-C337 HydrophobicContact CE1-CB 3.73Å; Y333-C337 WeakPolarHBondContact O-CA 3.16Å; Y333-C337 WeakPolarHBondContact O-CB 3.44Å; Y333-C337 PolarHBondContact O-N 3.1Å; Y333-C337 PolarHBondContact O-SG 2.7Å; Y333-C337 VanDerWaalsContact O-SG 3.4Å; Y333-R339 WeakPolarHBondContact CD1-O 3.4Å; Y333-R339 HydrophobicContact CE1-CG 4.29Å; Y333-R339 WeakPolarHBondContact CE1-O 3.11Å; Y333-P341 HydrophobicContact CD1-CB 3.8Å; Y333-P341 HydrophobicContact CD1-CG 4.27Å; Y333-P341 HydrophobicContact CD2-CB 4.31Å; Y333-P341 VanDerWaalsContact CE1-CA 3.44Å; Y333-P341 HydrophobicContact CE1-CB 3.94Å; Y333-P341 HydrophobicContact CE2-CB 4.45Å; Y333-P341 HydrophobicContact CG-CB 4Å; Y333-I359 HydrophobicContact CD2-CD1 3.64Å; Y333-I359 HydrophobicContact CD2-CG1 4.38Å; Y333-I359 HydrophobicContact CE2-CD1 3.73Å; Y333-I359 HydrophobicContact CE2-CG1 3.96Å; Y333-I359 HydrophobicContact CG-CD1 4.45Å; Y333-R360 PolarHBondContact OH-O 2.87Å; Y333-F361 HydrophobicContact CD2-CD1 4.21Å; Y333-F361 HydrophobicContact CD2-CE1 4.03Å; Y333-F361 AromaticContact CE2-CD1 3.89Å; Y333-F361 HydrophobicContact CE2-CD1 3.89Å; Y333-F361 HydrophobicContact CE2-CE1 4.05Å; Y333-L373 HydrophobicContact CD2-CD1 3.82Å; Y333-L373 HydrophobicContact CG-CD1 4.36Å
334E98Very high97.3Very high21 Ų2122.9 Ų22.910%0.09811%0.113CC..Hα-helixtrans-63.8-43-179.6-166.4172.1-170.600111.8L232 L270 Y308 V330 V331 M336 G338 R339 L340L232-E334 HydrophobicContact CD2-CG 3.86Å; L270-E334 HydrophobicContact CD1-CB 4.26Å; L270-E334 HydrophobicContact CD1-CG 3.8Å; L270-E334 WeakPolarHBondContact CD1-OE2 3.47Å; Y308-E334 PolarHBondContact OH-OE2 3.08Å; V330-E334 WeakPolarHBondContact O-CB 3.41Å; V330-E334 PolarHBondContact O-N 2.73Å; V331-E334 PolarHBondContact O-N 2.73Å; E334-M336 PolarHBondContact O-N 2.97Å; E334-G338 VanDerWaalsContact O-CA 3.26Å; E334-G338 WeakPolarHBondContact O-CA 3.49Å; E334-G338 PolarHBondContact O-N 2.96Å; E334-R339 WeakPolarHBondContact CA-O 3.34Å; E334-L340 WeakPolarHBondContact OE2-CD2 3.34Å
335M98.4Very high97Very high0 Ų031 Ų310%015%0.15CC..Hα-helixtrans-56.7-46.2173.7-74.4-170.3-68.600112.6L228 F238 A243 Y246 L270 V331 M332 Y333L228-M335 HydrophobicContact CD2-SD 3.89Å; F238-M335 HydrophobicContact CB-CB 4.44Å; F238-M335 HydrophobicContact CD2-CB 3.97Å; F238-M335 HydrophobicContact CD2-CG 3.73Å; F238-M335 HydrophobicContact CD2-SD 3.85Å; F238-M335 HydrophobicContact CE2-CG 4.11Å; F238-M335 HydrophobicContact CE2-SD 4.18Å; F238-M335 PolarHBondContact N-O 2.94Å; A243-M335 HydrophobicContact CB-CB 4.15Å; A243-M335 HydrophobicContact CB-CE 4.33Å; Y246-M335 HydrophobicContact CD2-SD 3.94Å; L270-M335 HydrophobicContact CD2-CG 4.19Å; V331-M335 HydrophobicContact CG1-CE 3.8Å; V331-M335 WeakPolarHBondContact O-CG 3.35Å; V331-M335 PolarHBondContact O-N 3.05Å; M332-M335 HydrophobicContact CB-CE 4.3Å; M332-M335 HydrophobicContact CG-CE 3.81Å; Y333-M335 PolarHBondContact O-N 2.93Å
336M98.5Very high96.4Very high12 Ų1235 Ų356%0.05917%0.172CC..Hα-helixtrans-87.3-20-174.2-67.1-175.8-78.500114.3V237 E240 A243 M332 Y333 E334 L365 A369 L373 F400V237-M336 VanDerWaalsContact CG1-O 3.27Å; V237-M336 WeakPolarHBondContact CG1-O 3.26Å; E240-M336 HydrophobicContact CB-SD 4.37Å; E240-M336 HydrophobicContact CG-SD 3.92Å; A243-M336 HydrophobicContact CB-CG 3.51Å; A243-M336 HydrophobicContact CB-SD 4.1Å; M332-M336 HydrophobicContact CB-CE 4Å; M332-M336 HydrophobicContact CE-CE 4.27Å; M332-M336 VanDerWaalsContact O-CE 3.24Å; M332-M336 WeakPolarHBondContact O-CE 3.24Å; M332-M336 WeakPolarHBondContact O-CG 3.46Å; M332-M336 PolarHBondContact O-N 2.91Å; M332-M336 VanDerWaalsContact O-N 3.08Å; Y333-M336 PolarHBondContact O-N 3.2Å; E334-M336 PolarHBondContact O-N 2.97Å; M336-L365 HydrophobicContact CB-CD1 3.87Å; M336-L365 HydrophobicContact SD-CD1 4.13Å; M336-A369 HydrophobicContact CE-CB 4.34Å; M336-A369 HydrophobicContact SD-CB 3.85Å; M336-L373 HydrophobicContact CE-CD1 3.81Å; M336-L373 HydrophobicContact CE-CD2 3.81Å; M336-L373 HydrophobicContact CE-CG 3.92Å; M336-F400 HydrophobicContact CE-CZ 4.5Å; M336-F400 HydrophobicContact SD-CE2 4.12Å; M336-F400 HydrophobicContact SD-CZ 4.01Å
337C97.8Very high95.7Very high15 Ų1539.6 Ų39.610%0.10119%0.193CC..Hα-helixtrans-111.1-14.7-177.2-58.40000113.6Y333 R339 P362Y333-C337 HydrophobicContact CD1-CB 4.02Å; Y333-C337 HydrophobicContact CE1-CB 3.73Å; Y333-C337 WeakPolarHBondContact O-CA 3.16Å; Y333-C337 WeakPolarHBondContact O-CB 3.44Å; Y333-C337 PolarHBondContact O-N 3.1Å; Y333-C337 PolarHBondContact O-SG 2.7Å; Y333-C337 VanDerWaalsContact O-SG 3.4Å; C337-R339 VanDerWaalsContact C-N 3.27Å; C337-R339 HydrophobicContact CB-CG 4.42Å; C337-R339 PolarHBondContact O-N 3.2Å; C337-P362 HydrophobicContact CB-CG 4.43Å
338G96.2Very high95Very high36 Ų3646.9 Ų46.937%0.37123%0.226SC..SBendtrans69.420.6-178.800000114.7R236 E334R236-G338 WeakPolarHBondContact O-CA 3.49Å; E334-G338 VanDerWaalsContact O-CA 3.26Å; E334-G338 WeakPolarHBondContact O-CA 3.49Å; E334-G338 PolarHBondContact O-N 2.96Å
339R95.6Very high94.4Very high131 Ų13151.6 Ų51.649%0.49424%0.244SC..SBendtrans-159.9157178.362.9177.6-175.8-112.5-3110.4Y333 E334 C337Y333-R339 WeakPolarHBondContact CD1-O 3.4Å; Y333-R339 HydrophobicContact CE1-CG 4.29Å; Y333-R339 WeakPolarHBondContact CE1-O 3.11Å; E334-R339 WeakPolarHBondContact CA-O 3.34Å; C337-R339 VanDerWaalsContact C-N 3.27Å; C337-R339 HydrophobicContact CB-CG 4.42Å; C337-R339 PolarHBondContact O-N 3.2Å
340L96.6Very high94.1Very high31 Ų3151.6 Ų51.616%0.16224%0.244CC..  trans-61.5149.3171.7-70.2165.3000112.2E307 Y308 V330 E334 F342 Y343E307-L340 HydrophobicContact CB-CD1 3.82Å; E307-L340 HydrophobicContact CB-CD2 4.3Å; E307-L340 HydrophobicContact CG-CD1 3.8Å; Y308-L340 HydrophobicContact CE1-CD2 4.39Å; Y308-L340 HydrophobicContact CE2-CD2 4.17Å; V330-L340 HydrophobicContact CG1-CD2 4.03Å; E334-L340 WeakPolarHBondContact OE2-CD2 3.34Å; L340-F342 VanDerWaalsContact C-N 3.35Å; L340-Y343 HydrophobicContact CD1-CD2 3.96Å
341P97.2Very high93.6Very high18 Ų1852.7 Ų52.712%0.11725%0.249CC..SBendtrans-68.2-34.8176.127-33.2000112.5V330 Y333 I359 L377V330-P341 HydrophobicContact CB-CG 4.38Å; V330-P341 HydrophobicContact CG1-CG 4.01Å; V330-P341 HydrophobicContact CG2-CG 4.11Å; Y333-P341 HydrophobicContact CD1-CB 3.8Å; Y333-P341 HydrophobicContact CD1-CG 4.27Å; Y333-P341 HydrophobicContact CD2-CB 4.31Å; Y333-P341 VanDerWaalsContact CE1-CA 3.44Å; Y333-P341 HydrophobicContact CE1-CB 3.94Å; Y333-P341 HydrophobicContact CE2-CB 4.45Å; Y333-P341 HydrophobicContact CG-CB 4Å; P341-I359 HydrophobicContact CB-CD1 3.68Å; P341-I359 HydrophobicContact CB-CG1 4.31Å; P341-L377 HydrophobicContact CB-CD1 4.43Å
342F96.8Very high93.2Very high11 Ų1157.1 Ų57.15%0.04827%0.269CS..SBendtrans-131132.6175.6-50.4-74.3000108.6W326 L340 L350 L353 I354 E357 I359W326-F342 AromaticContact CH2-CE2 3.77Å; W326-F342 HydrophobicContact CH2-CE2 3.77Å; W326-F342 HydrophobicContact CH2-CZ 4.42Å; W326-F342 HydrophobicContact CZ2-CD2 4.27Å; W326-F342 AromaticContact CZ2-CE2 3.77Å; W326-F342 HydrophobicContact CZ2-CE2 3.77Å; L340-F342 VanDerWaalsContact C-N 3.35Å; F342-L350 HydrophobicContact CB-CD1 4.14Å; F342-L353 HydrophobicContact CB-CB 4.21Å; F342-L353 HydrophobicContact CD1-CB 4.07Å; F342-L353 HydrophobicContact CG-CB 4.48Å; F342-I354 HydrophobicContact CB-CG1 3.91Å; F342-I354 HydrophobicContact CD2-CG1 3.94Å; F342-I354 HydrophobicContact CG-CG1 4.03Å; F342-E357 WeakPolarHBondContact CE1-O 3.19Å; F342-I359 HydrophobicContact CZ-CB 4.24Å
343Y94.5Very high92.9Very high139 Ų13958 Ų5855%0.54527%0.274SS..  trans-152.1133178.4-179.8-100.9000110.5L340L340-Y343 HydrophobicContact CD1-CD2 3.96Å
344N92.6Very high92.7Very high56 Ų5657.8 Ų57.830%0.29927%0.273SS..  trans-154.4148.2166.5-157-73.2000108.9D346 R349 L350 L353N344-D346 VanDerWaalsContact C-N 3.28Å; N344-D346 PolarHBondContact OD1-N 3.45Å; N344-R349 HydrophobicContact CB-CB 4.22Å; N344-R349 HydrophobicContact CB-CG 4.2Å; N344-R349 WeakPolarHBondContact ND2-CG 3.16Å; N344-L350 HydrophobicContact CB-CB 4.18Å; N344-L353 HydrophobicContact CB-CD1 4.04Å
345Q88.9Confident92.4Very high171 Ų17158 Ų5880%0.79928%0.275SS*.SBendtrans-69.4-30.4174.5-68.5-179.4-10.500111.9
346D86Confident92Very high85 Ų8564.5 Ų64.546%0.45531%0.307SS..SBendtrans-85.2117.8173.2-175.3-12.7000109.8N344 E348 R349 L350N344-D346 VanDerWaalsContact C-N 3.28Å; N344-D346 PolarHBondContact OD1-N 3.45Å; D346-E348 VanDerWaalsContact C-N 3.29Å; D346-E348 PolarHBondContact O-N 3.4Å; D346-E348 PolarHBondContact OD1-N 3.42Å; D346-R349 HydrophobicContact CB-CB 4.09Å; D346-R349 PolarHBondContact O-N 3.21Å; D346-L350 PolarHBondContact O-N 2.84Å
347H82.6Confident91.7Very high96 Ų9666.7 Ų66.744%0.44432%0.317SS..Hα-helixtrans-61.8-34.2179.1-71.1-178.9000112.9R349 L350 F351H347-R349 VanDerWaalsContact C-N 3.31Å; H347-R349 PolarHBondContact O-N 3.49Å; H347-L350 PolarHBondContact O-N 3.4Å; H347-F351 HydrophobicContact CB-CE2 4.19Å; H347-F351 HydrophobicContact CB-CZ 4.22Å; H347-F351 WeakPolarHBondContact O-CB 3.13Å; H347-F351 WeakPolarHBondContact O-CD2 3.25Å; H347-F351 WeakPolarHBondContact O-CG 3.41Å; H347-F351 PolarHBondContact O-N 3.36Å
348E82.8Confident91.4Very high157 Ų15772.3 Ų72.373%0.73435%0.346SS*.Hα-helixtrans-64.8-42.1177.5-65.5-169.3171.100110.2D346 F351 E352D346-E348 VanDerWaalsContact C-N 3.29Å; D346-E348 PolarHBondContact O-N 3.4Å; D346-E348 PolarHBondContact OD1-N 3.42Å; E348-F351 PolarHBondContact O-N 2.92Å; E348-E352 PolarHBondContact O-N 3.34Å
349R87.8Confident91.3Very high99 Ų9972.1 Ų72.137%0.37434%0.336SS..Hα-helixtrans-67.9-42.3174.8-173.559.9-175.5176.78.2111.6N344 D346 H347 F351 E352 L353N344-R349 HydrophobicContact CB-CB 4.22Å; N344-R349 HydrophobicContact CB-CG 4.2Å; N344-R349 WeakPolarHBondContact ND2-CG 3.16Å; D346-R349 HydrophobicContact CB-CB 4.09Å; D346-R349 PolarHBondContact O-N 3.21Å; H347-R349 VanDerWaalsContact C-N 3.31Å; H347-R349 PolarHBondContact O-N 3.49Å; R349-F351 VanDerWaalsContact C-N 3.32Å; R349-F351 PolarHBondContact O-N 2.73Å; R349-E352 WeakPolarHBondContact CD-OE2 3.39Å; R349-E352 IonicContact CZ-OE1 3.49Å; R349-E352 IonicContact CZ-OE2 3.59Å; R349-E352 IonicContact NE-OE2 3.47Å; R349-E352 IonicContact NH1-OE1 3.46Å; R349-E352 PolarHBondContact NH1-OE1 3.32Å; R349-E352 IonicContact NH1-OE2 2.79Å; R349-E352 PolarHBondContact NH1-OE2 2.97Å; R349-E352 WeakPolarHBondContact O-CB 3.21Å; R349-E352 PolarHBondContact O-N 2.97Å; R349-L353 VanDerWaalsContact O-CG 3.28Å; R349-L353 WeakPolarHBondContact O-CG 2.89Å; R349-L353 PolarHBondContact O-N 2.93Å
350L90.9Very high91.3Very high0 Ų074.2 Ų74.20%034%0.344CS..Hα-helixtrans-56.3-46.6175.6174.562000111.3P306 E307 F342 N344 D346 H347 E352 L353 I354P306-L350 HydrophobicContact CB-CD2 3.91Å; E307-L350 HydrophobicContact CG-CD2 3.9Å; F342-L350 HydrophobicContact CB-CD1 4.14Å; N344-L350 HydrophobicContact CB-CB 4.18Å; D346-L350 PolarHBondContact O-N 2.84Å; H347-L350 PolarHBondContact O-N 3.4Å; L350-E352 VanDerWaalsContact C-N 3.33Å; L350-E352 PolarHBondContact O-N 3.47Å; L350-L353 WeakPolarHBondContact O-CB 3.47Å; L350-L353 PolarHBondContact O-N 3.18Å; L350-I354 HydrophobicContact CD1-CD1 4.01Å; L350-I354 HydrophobicContact CD1-CG1 4.32Å; L350-I354 HydrophobicContact CG-CD1 3.96Å; L350-I354 WeakPolarHBondContact O-CG1 3.28Å; L350-I354 PolarHBondContact O-N 3.07Å
351F89.2Confident91.3Very high24 Ų2474.3 Ų74.311%0.10534%0.343CS..Hα-helixtrans-63.3-39.9177.4-60.8-26000111.8I19 F302 P306 L314 H347 E348 R349 L353 I354 L355I19-F351 HydrophobicContact CD1-CB 4.06Å; I19-F351 HydrophobicContact CD1-CD2 3.92Å; I19-F351 HydrophobicContact CD1-CG 4.15Å; I19-F351 HydrophobicContact CG1-CD2 3.91Å; I19-F351 HydrophobicContact CG1-CE2 4.31Å; F302-F351 HydrophobicContact CZ-CZ 4.36Å; P306-F351 HydrophobicContact CB-CE1 4.02Å; L314-F351 HydrophobicContact CD1-CB 4.19Å; L314-F351 HydrophobicContact CD1-CD1 3.86Å; L314-F351 HydrophobicContact CD1-CG 4.3Å; L314-F351 HydrophobicContact CD2-CD1 3.53Å; L314-F351 HydrophobicContact CD2-CE1 3.61Å; L314-F351 HydrophobicContact CD2-CG 4.17Å; L314-F351 HydrophobicContact CD2-CZ 4.32Å; L314-F351 HydrophobicContact CG-CD1 4.36Å; H347-F351 HydrophobicContact CB-CE2 4.19Å; H347-F351 HydrophobicContact CB-CZ 4.22Å; H347-F351 WeakPolarHBondContact O-CB 3.13Å; H347-F351 WeakPolarHBondContact O-CD2 3.25Å; H347-F351 WeakPolarHBondContact O-CG 3.41Å; H347-F351 PolarHBondContact O-N 3.36Å; E348-F351 PolarHBondContact O-N 2.92Å; R349-F351 VanDerWaalsContact C-N 3.32Å; R349-F351 PolarHBondContact O-N 2.73Å; F351-L353 VanDerWaalsContact C-N 3.34Å; F351-L353 PolarHBondContact O-N 3.19Å; F351-I354 PolarHBondContact O-N 3.46Å; F351-L355 WeakPolarHBondContact O-CB 3.39Å; F351-L355 WeakPolarHBondContact O-CG 3.18Å; F351-L355 PolarHBondContact O-N 3.47Å
352E89.6Confident91.2Very high92 Ų9274.9 Ų74.943%0.4335%0.347SS..Hα-helixtrans-60.2-42.4172.9-167.2-168.2158.400111.9E348 R349 L350 L355 M356E348-E352 PolarHBondContact O-N 3.34Å; R349-E352 WeakPolarHBondContact CD-OE2 3.39Å; R349-E352 IonicContact CZ-OE1 3.49Å; R349-E352 IonicContact CZ-OE2 3.59Å; R349-E352 IonicContact NE-OE2 3.47Å; R349-E352 IonicContact NH1-OE1 3.46Å; R349-E352 PolarHBondContact NH1-OE1 3.32Å; R349-E352 IonicContact NH1-OE2 2.79Å; R349-E352 PolarHBondContact NH1-OE2 2.97Å; R349-E352 WeakPolarHBondContact O-CB 3.21Å; R349-E352 PolarHBondContact O-N 2.97Å; L350-E352 VanDerWaalsContact C-N 3.33Å; L350-E352 PolarHBondContact O-N 3.47Å; E352-L355 PolarHBondContact O-N 2.89Å; E352-M356 HydrophobicContact CG-CG 4.48Å; E352-M356 WeakPolarHBondContact O-CB 3.34Å; E352-M356 PolarHBondContact O-N 3.41Å
353L92.9Very high91.1Very high18 Ų1886.6 Ų86.69%0.09439%0.391CS..Hα-helixtrans-60-49.2175.7-63.9173.3000111.1F342 N344 R349 L350 F351 L355 E357 K379F342-L353 HydrophobicContact CB-CB 4.21Å; F342-L353 HydrophobicContact CD1-CB 4.07Å; F342-L353 HydrophobicContact CG-CB 4.48Å; N344-L353 HydrophobicContact CB-CD1 4.04Å; R349-L353 VanDerWaalsContact O-CG 3.28Å; R349-L353 WeakPolarHBondContact O-CG 2.89Å; R349-L353 PolarHBondContact O-N 2.93Å; L350-L353 WeakPolarHBondContact O-CB 3.47Å; L350-L353 PolarHBondContact O-N 3.18Å; F351-L353 VanDerWaalsContact C-N 3.34Å; F351-L353 PolarHBondContact O-N 3.19Å; L353-L355 VanDerWaalsContact C-N 3.31Å; L353-L355 PolarHBondContact O-N 2.81Å; L353-E357 HydrophobicContact CD2-CB 4.18Å; L353-E357 WeakPolarHBondContact CD2-OE2 3.47Å; L353-E357 PolarHBondContact O-N 2.98Å; L353-K379 PolarHBondContact O-NZ 3.06Å
354I94.1Very high91Very high1 Ų186.1 Ų86.11%0.00540%0.403CS..Hα-helixtrans-61.5-40.4179.5-67167.2000110.9P306 P311 L314 W326 F342 L350 F351 K379P306-I354 WeakPolarHBondContact O-CD1 3.33Å; P311-I354 HydrophobicContact CG-CG2 3.93Å; L314-I354 HydrophobicContact CD1-CB 3.75Å; L314-I354 HydrophobicContact CD1-CD1 4.02Å; L314-I354 HydrophobicContact CD1-CG2 3.49Å; L314-I354 VanDerWaalsContact CD1-CG2 3.49Å; W326-I354 HydrophobicContact CH2-CG2 4.45Å; W326-I354 HydrophobicContact CZ2-CG2 3.95Å; F342-I354 HydrophobicContact CB-CG1 3.91Å; F342-I354 HydrophobicContact CD2-CG1 3.94Å; F342-I354 HydrophobicContact CG-CG1 4.03Å; L350-I354 HydrophobicContact CD1-CD1 4.01Å; L350-I354 HydrophobicContact CD1-CG1 4.32Å; L350-I354 HydrophobicContact CG-CD1 3.96Å; L350-I354 WeakPolarHBondContact O-CG1 3.28Å; L350-I354 PolarHBondContact O-N 3.07Å; F351-I354 PolarHBondContact O-N 3.46Å; I354-K379 PolarHBondContact O-NZ 3.09Å
355L90.9Very high91.2Very high27 Ų2784.4 Ų84.414%0.14139%0.394CS..Hα-helixtrans-79.1-33.7-177.4-68.3172.8000113.9I19 P311 L314 E315 F351 E352 L353 K379I19-L355 HydrophobicContact CD1-CD1 4.35Å; P311-L355 HydrophobicContact CB-CD2 4.01Å; L314-L355 HydrophobicContact CB-CD2 4.16Å; L314-L355 HydrophobicContact CD1-CD2 4.41Å; L314-L355 HydrophobicContact CD1-CG 4.26Å; E315-L355 HydrophobicContact CG-CD2 3.58Å; F351-L355 WeakPolarHBondContact O-CB 3.39Å; F351-L355 WeakPolarHBondContact O-CG 3.18Å; F351-L355 PolarHBondContact O-N 3.47Å; E352-L355 PolarHBondContact O-N 2.89Å; L353-L355 VanDerWaalsContact C-N 3.31Å; L353-L355 PolarHBondContact O-N 2.81Å; L355-K379 WeakPolarHBondContact O-CD 3.05Å; L355-K379 WeakPolarHBondContact O-CE 3.37Å
356M89.9Confident91.7Very high135 Ų13577.1 Ų77.167%0.66536%0.364SS*.Hα-helixtrans-124.2-33.3-164.8-57.7-62.7174.500114.4E352E352-M356 HydrophobicContact CG-CG 4.48Å; E352-M356 WeakPolarHBondContact O-CB 3.34Å; E352-M356 PolarHBondContact O-N 3.41Å
357E93.7Very high92.2Very high58 Ų5877.7 Ų77.727%0.27137%0.372SS..PPolyproline II helixtrans-81.9133.4-173.3-174.7157.2-178.800112F342 L353 R360 K379F342-E357 WeakPolarHBondContact CE1-O 3.19Å; L353-E357 HydrophobicContact CD2-CB 4.18Å; L353-E357 WeakPolarHBondContact CD2-OE2 3.47Å; L353-E357 PolarHBondContact O-N 2.98Å; E357-R360 IonicContact OE1-CZ 2.67Å; E357-R360 IonicContact OE1-NE 2.84Å; E357-R360 PolarHBondContact OE1-NE 2.8Å; E357-R360 IonicContact OE1-NH2 2.96Å; E357-R360 PolarHBondContact OE1-NH2 3.39Å; E357-K379 VanDerWaalsContact O-CE 3.29Å; E357-K379 WeakPolarHBondContact O-CE 3.08Å; E357-K379 PolarHBondContact O-NZ 3.48Å
358D91.6Very high93Very high134 Ų13477.2 Ų77.272%0.71737%0.37SS*.PPolyproline II helixtrans-68.8137.4172.3-75-35.1000111.2
359I94.3Very high93.8Very high32 Ų3269.8 Ų69.816%0.16434%0.336CS..PPolyproline II helixtrans-64.7139.7177.8-172.1164.8000111.9Y333 P341 F342 F361 L377Y333-I359 HydrophobicContact CD2-CD1 3.64Å; Y333-I359 HydrophobicContact CD2-CG1 4.38Å; Y333-I359 HydrophobicContact CE2-CD1 3.73Å; Y333-I359 HydrophobicContact CE2-CG1 3.96Å; Y333-I359 HydrophobicContact CG-CD1 4.45Å; P341-I359 HydrophobicContact CB-CD1 3.68Å; P341-I359 HydrophobicContact CB-CG1 4.31Å; F342-I359 HydrophobicContact CZ-CB 4.24Å; I359-F361 HydrophobicContact CB-CZ 4.39Å; I359-F361 HydrophobicContact CD1-CE1 3.97Å; I359-F361 HydrophobicContact CD1-CZ 4.08Å; I359-F361 HydrophobicContact CG1-CE1 4.15Å; I359-F361 HydrophobicContact CG1-CZ 4.08Å; I359-F361 HydrophobicContact CG2-CE1 4.38Å; I359-F361 HydrophobicContact CG2-CE2 3.68Å; I359-F361 HydrophobicContact CG2-CZ 3.49Å; I359-F361 VanDerWaalsContact CG2-CZ 3.49Å; I359-L377 HydrophobicContact CD1-CB 4.23Å; I359-L377 HydrophobicContact CD1-CD1 3.2Å; I359-L377 HydrophobicContact CD1-CG 4.31Å
360R94.6Very high94.3Very high174 Ų17471.8 Ų71.866%0.65734%0.343SS*.  trans-111.5131.5179.2-57-175.1-166.6-170.45.1110.9Y333 E357Y333-R360 PolarHBondContact OH-O 2.87Å; E357-R360 IonicContact OE1-CZ 2.67Å; E357-R360 IonicContact OE1-NE 2.84Å; E357-R360 PolarHBondContact OE1-NE 2.8Å; E357-R360 IonicContact OE1-NH2 2.96Å; E357-R360 PolarHBondContact OE1-NH2 3.39Å
361F96.6Very high94.6Very high34 Ų3474.9 Ų74.915%0.14937%0.365CS..  trans-105.5141179.9-57.7-76.3000111.8Y333 I359 L365 R370 L373 S374Y333-F361 HydrophobicContact CD2-CD1 4.21Å; Y333-F361 HydrophobicContact CD2-CE1 4.03Å; Y333-F361 AromaticContact CE2-CD1 3.89Å; Y333-F361 HydrophobicContact CE2-CD1 3.89Å; Y333-F361 HydrophobicContact CE2-CE1 4.05Å; I359-F361 HydrophobicContact CB-CZ 4.39Å; I359-F361 HydrophobicContact CD1-CE1 3.97Å; I359-F361 HydrophobicContact CD1-CZ 4.08Å; I359-F361 HydrophobicContact CG1-CE1 4.15Å; I359-F361 HydrophobicContact CG1-CZ 4.08Å; I359-F361 HydrophobicContact CG2-CE1 4.38Å; I359-F361 HydrophobicContact CG2-CE2 3.68Å; I359-F361 HydrophobicContact CG2-CZ 3.49Å; I359-F361 VanDerWaalsContact CG2-CZ 3.49Å; F361-L365 HydrophobicContact CB-CD2 4.35Å; F361-L365 HydrophobicContact CD1-CD2 3.74Å; F361-L365 HydrophobicContact CG-CD2 4.36Å; F361-R370 HydrophobicContact CB-CG 4.44Å; F361-R370 HydrophobicContact CD1-CG 4.43Å; F361-R370 HydrophobicContact CD2-CG 3.78Å; F361-R370 HydrophobicContact CE2-CG 4.09Å; F361-R370 HydrophobicContact CG-CG 3.95Å; F361-L373 HydrophobicContact CD1-CD1 4.29Å; F361-L373 HydrophobicContact CE1-CB 3.58Å; F361-L373 HydrophobicContact CE1-CD1 3.99Å; F361-L373 HydrophobicContact CE1-CG 4.46Å; F361-L373 HydrophobicContact CZ-CB 4.11Å; F361-S374 WeakPolarHBondContact CE2-OG 3.34Å; F361-S374 VanDerWaalsContact CZ-OG 3.3Å; F361-S374 WeakPolarHBondContact CZ-OG 3.22Å
362P95.1Very high95.1Very high30 Ų3073.7 Ų73.720%0.19536%0.36CS..  trans-67150.4169.629.6-32.5000110.6C337 T364 L365C337-P362 HydrophobicContact CB-CG 4.43Å; P362-T364 PolarHBondContact O-N 2.9Å; P362-L365 HydrophobicContact CG-CB 4.32Å; P362-L365 WeakPolarHBondContact O-CB 3.34Å; P362-L365 PolarHBondContact O-N 3.14Å
363R93.9Very high95.5Very high257 Ų25769.3 Ų69.397%0.9734%0.339SS*.THydrogen-bonded Turntrans-66.1-16.3179.7-64.3-175.9-177.7-171.10.4113.7L365R363-L365 VanDerWaalsContact C-N 3.28Å
364T93.5Very high95.8Very high129 Ų12970.4 Ų70.479%0.79135%0.348SS*.THydrogen-bonded Turntrans-76.9-14.7179.150.50000113.2P362P362-T364 PolarHBondContact O-N 2.9Å
365L96.8Very high96Very high20 Ų2071.1 Ų71.111%0.10536%0.356CS..SBendtrans-78.8130.4-177.7-163.870.8000110.8M336 F361 P362 R363 A369 R370 L373M336-L365 HydrophobicContact CB-CD1 3.87Å; M336-L365 HydrophobicContact SD-CD1 4.13Å; F361-L365 HydrophobicContact CB-CD2 4.35Å; F361-L365 HydrophobicContact CD1-CD2 3.74Å; F361-L365 HydrophobicContact CG-CD2 4.36Å; P362-L365 HydrophobicContact CG-CB 4.32Å; P362-L365 WeakPolarHBondContact O-CB 3.34Å; P362-L365 PolarHBondContact O-N 3.14Å; R363-L365 VanDerWaalsContact C-N 3.28Å; L365-A369 HydrophobicContact CD1-CB 3.71Å; L365-A369 HydrophobicContact CD2-CB 4.27Å; L365-A369 HydrophobicContact CG-CB 3.76Å; L365-R370 HydrophobicContact CD2-CB 4.12Å; L365-L373 HydrophobicContact CD2-CD1 3.68Å
366G98.1Very high96.4Very high17 Ų1769.8 Ų69.818%0.17535%0.349CS..  trans-63.415817800000113E240 E368 A369 R370E240-G366 WeakPolarHBondContact OE1-CA 3.26Å; E240-G366 PolarHBondContact OE1-N 2.7Å; G366-E368 VanDerWaalsContact C-N 3.33Å; G366-E368 PolarHBondContact O-N 2.99Å; G366-A369 PolarHBondContact O-N 2.76Å; G366-R370 WeakPolarHBondContact O-CB 3.09Å; G366-R370 PolarHBondContact O-N 2.75Å
367P98.3Very high96.8Very high98 Ų9863.8 Ų63.864%0.63632%0.32SS*.Hα-helixtrans-64.1-36.2-177.122.2-27.2000112.6S371P367-S371 VanDerWaalsContact O-CB 3.3Å; P367-S371 WeakPolarHBondContact O-CB 3.46Å; P367-S371 PolarHBondContact O-N 3.13Å
368E98.6Very high97Very high86 Ų8665.5 Ų65.540%0.40233%0.326SS..Hα-helixtrans-67.8-43.5177.3-66.170.6-154.900111.7G366 S371 L372 H398 K399 F400G366-E368 VanDerWaalsContact C-N 3.33Å; G366-E368 PolarHBondContact O-N 2.99Å; E368-S371 PolarHBondContact O-N 3.38Å; E368-L372 PolarHBondContact O-N 3.15Å; E368-H398 PolarHBondContact O-CE1 3.16Å; E368-K399 HydrophobicContact CG-CB 4.27Å; E368-F400 HydrophobicContact CB-CB 4.28Å; E368-F400 HydrophobicContact CB-CD2 4.24Å
369A98.6Very high97.2Very high0 Ų061.5 Ų61.50%030%0.302CS..Hα-helixtrans-63.8-45.4176.200000111E240 M336 L365 G366 S371 L372 L373 F400E240-A369 HydrophobicContact CG-CB 4.38Å; M336-A369 HydrophobicContact CE-CB 4.34Å; M336-A369 HydrophobicContact SD-CB 3.85Å; L365-A369 HydrophobicContact CD1-CB 3.71Å; L365-A369 HydrophobicContact CD2-CB 4.27Å; L365-A369 HydrophobicContact CG-CB 3.76Å; G366-A369 PolarHBondContact O-N 2.76Å; A369-S371 VanDerWaalsContact C-N 3.33Å; A369-S371 PolarHBondContact O-N 2.75Å; A369-L372 PolarHBondContact O-N 3.21Å; A369-L373 WeakPolarHBondContact O-CG 3.08Å; A369-L373 PolarHBondContact O-N 2.8Å; A369-F400 HydrophobicContact CB-CD2 3.93Å; A369-F400 HydrophobicContact CB-CE2 3.72Å
370R98.6Very high97Very high141 Ų14163.3 Ų63.353%0.53231%0.312SS..Hα-helixtrans-60.2-42.3175.2-176174.6178.7170.5-0.3112.1F361 L365 G366 S374F361-R370 HydrophobicContact CB-CG 4.44Å; F361-R370 HydrophobicContact CD1-CG 4.43Å; F361-R370 HydrophobicContact CD2-CG 3.78Å; F361-R370 HydrophobicContact CE2-CG 4.09Å; F361-R370 HydrophobicContact CG-CG 3.95Å; L365-R370 HydrophobicContact CD2-CB 4.12Å; G366-R370 WeakPolarHBondContact O-CB 3.09Å; G366-R370 PolarHBondContact O-N 2.75Å; R370-S374 WeakPolarHBondContact O-CB 3.24Å; R370-S374 PolarHBondContact O-N 2.97Å; R370-S374 PolarHBondContact O-OG 2.9Å
371S98.7Very high96.9Very high65 Ų6556.4 Ų56.446%0.45529%0.29SS..Hα-helixtrans-60.1-47.5175.8-178.10000111.2P367 E368 A369 S374 G375 H398P367-S371 VanDerWaalsContact O-CB 3.3Å; P367-S371 WeakPolarHBondContact O-CB 3.46Å; P367-S371 PolarHBondContact O-N 3.13Å; E368-S371 PolarHBondContact O-N 3.38Å; A369-S371 VanDerWaalsContact C-N 3.33Å; A369-S371 PolarHBondContact O-N 2.75Å; S371-S374 PolarHBondContact O-N 2.83Å; S371-G375 PolarHBondContact O-N 2.88Å; S371-G375 VanDerWaalsContact O-N 3.07Å; S371-H398 PolarHBondContact OG-NE2 2.86Å
372L98.8Very high96.5Very high0 Ų061.5 Ų61.50%032%0.316CS..Hα-helixtrans-60.4-54.4179.2178.965.8000111.1M332 E368 A369 S374 G375 L376 L385 I395 H398 F400 F401M332-L372 HydrophobicContact CE-CD2 3.5Å; M332-L372 VanDerWaalsContact CE-CD2 3.5Å; M332-L372 HydrophobicContact SD-CD2 3.87Å; E368-L372 PolarHBondContact O-N 3.15Å; A369-L372 PolarHBondContact O-N 3.21Å; L372-S374 VanDerWaalsContact C-N 3.31Å; L372-S374 PolarHBondContact O-N 3.48Å; L372-G375 PolarHBondContact O-N 3.34Å; L372-G375 VanDerWaalsContact O-N 3.08Å; L372-L376 HydrophobicContact CD1-CD1 3.87Å; L372-L376 HydrophobicContact CD1-CG 4.12Å; L372-L376 HydrophobicContact CD2-CD1 4.37Å; L372-L376 HydrophobicContact CG-CD1 3.79Å; L372-L376 HydrophobicContact CG-CG 4.37Å; L372-L376 WeakPolarHBondContact O-CG 3.41Å; L372-L376 PolarHBondContact O-N 2.85Å; L372-L385 HydrophobicContact CD1-CD2 3.63Å; L372-I395 HydrophobicContact CD1-CG2 4.37Å; L372-H398 VanDerWaalsContact CA-CE1 3.46Å; L372-H398 WeakPolarHBondContact CA-CE1 3.34Å; L372-H398 HydrophobicContact CD1-CB 4.35Å; L372-H398 PolarHBondContact N-CE1 3.34Å; L372-H398 VanDerWaalsContact N-CE1 3.27Å; L372-F400 HydrophobicContact CB-CB 4.01Å; L372-F400 HydrophobicContact CB-CG 4.31Å; L372-F400 HydrophobicContact CD2-CB 3.94Å; L372-F400 HydrophobicContact CD2-CD1 3.33Å; L372-F400 HydrophobicContact CD2-CD2 4.48Å; L372-F400 HydrophobicContact CD2-CE1 3.89Å; L372-F400 HydrophobicContact CD2-CG 3.65Å; L372-F400 HydrophobicContact CG-CB 4.46Å; L372-F401 HydrophobicContact CD1-CE2 4.11Å; L372-F401 HydrophobicContact CD2-CE2 3.76Å; L372-F401 HydrophobicContact CD2-CZ 4.09Å
373L98.8Very high96.5Very high0 Ų066.3 Ų66.30%034%0.336CS..Hα-helixtrans-63.4-37.4-177.8-63.5178.3000111.9M332 Y333 M336 F361 L365 A369 G375 L377M332-L373 HydrophobicContact CB-CD2 3.78Å; Y333-L373 HydrophobicContact CD2-CD1 3.82Å; Y333-L373 HydrophobicContact CG-CD1 4.36Å; M336-L373 HydrophobicContact CE-CD1 3.81Å; M336-L373 HydrophobicContact CE-CD2 3.81Å; M336-L373 HydrophobicContact CE-CG 3.92Å; F361-L373 HydrophobicContact CD1-CD1 4.29Å; F361-L373 HydrophobicContact CE1-CB 3.58Å; F361-L373 HydrophobicContact CE1-CD1 3.99Å; F361-L373 HydrophobicContact CE1-CG 4.46Å; F361-L373 HydrophobicContact CZ-CB 4.11Å; L365-L373 HydrophobicContact CD2-CD1 3.68Å; A369-L373 WeakPolarHBondContact O-CG 3.08Å; A369-L373 PolarHBondContact O-N 2.8Å; L373-G375 VanDerWaalsContact C-N 3.26Å; L373-G375 PolarHBondContact O-N 2.85Å; L373-L377 VanDerWaalsContact O-CB 3.26Å; L373-L377 WeakPolarHBondContact O-CB 3.2Å; L373-L377 PolarHBondContact O-N 3.41Å
374S98.4Very high96.7Very high40 Ų4054.2 Ų54.228%0.2829%0.29SS..Hα-helixtrans-65.2-31.3176-58.60000112.4F361 R370 S371 L372 K378F361-S374 WeakPolarHBondContact CE2-OG 3.34Å; F361-S374 VanDerWaalsContact CZ-OG 3.3Å; F361-S374 WeakPolarHBondContact CZ-OG 3.22Å; R370-S374 WeakPolarHBondContact O-CB 3.24Å; R370-S374 PolarHBondContact O-N 2.97Å; R370-S374 PolarHBondContact O-OG 2.9Å; S371-S374 PolarHBondContact O-N 2.83Å; L372-S374 VanDerWaalsContact C-N 3.31Å; L372-S374 PolarHBondContact O-N 3.48Å; S374-K378 WeakPolarHBondContact O-CG 3.42Å
375G98.6Very high96.9Very high16 Ų1649.5 Ų49.517%0.16526%0.26CS..Hα-helixtrans-76.5-46.1175.600000112.8S371 L372 L373 L377 K378 R384 L385S371-G375 PolarHBondContact O-N 2.88Å; S371-G375 VanDerWaalsContact O-N 3.07Å; L372-G375 PolarHBondContact O-N 3.34Å; L372-G375 VanDerWaalsContact O-N 3.08Å; L373-G375 VanDerWaalsContact C-N 3.26Å; L373-G375 PolarHBondContact O-N 2.85Å; G375-L377 VanDerWaalsContact C-N 3.34Å; G375-L377 PolarHBondContact O-N 3.09Å; G375-K378 WeakPolarHBondContact O-CG 3.19Å; G375-R384 WeakPolarHBondContact O-CG 3.49Å; G375-L385 PolarHBondContact O-N 3.25Å
376L98.8Very high96.9Very high0 Ų048.6 Ų48.60%026%0.255CS..Hα-helixtrans-67.2-32.9178.8-67.7173.6000112.5W325 L328 M332 L372 R384 L385 I395W325-L376 HydrophobicContact CB-CD2 4.07Å; L328-L376 HydrophobicContact CD2-CD1 4.11Å; L328-L376 HydrophobicContact CD2-CD2 4.28Å; L328-L376 HydrophobicContact CG-CD1 4.08Å; M332-L376 HydrophobicContact SD-CD1 4.39Å; L372-L376 HydrophobicContact CD1-CD1 3.87Å; L372-L376 HydrophobicContact CD1-CG 4.12Å; L372-L376 HydrophobicContact CD2-CD1 4.37Å; L372-L376 HydrophobicContact CG-CD1 3.79Å; L372-L376 HydrophobicContact CG-CG 4.37Å; L372-L376 WeakPolarHBondContact O-CG 3.41Å; L372-L376 PolarHBondContact O-N 2.85Å; L376-R384 WeakPolarHBondContact O-CD 3.27Å; L376-R384 WeakPolarHBondContact O-CG 3.12Å; L376-L385 HydrophobicContact CD2-CB 4.35Å; L376-L385 HydrophobicContact CD2-CD2 4.3Å; L376-L385 HydrophobicContact CG-CD2 4.41Å; L376-I395 HydrophobicContact CD2-CD1 3.76Å; L376-I395 HydrophobicContact CD2-CG1 4.04Å
377L98.5Very high96.6Very high9 Ų948.5 Ų48.55%0.04725%0.254CS..THydrogen-bonded Turntrans-100.626.7-177.6-60.8169.7000112.7W326 V330 P341 I359 L373 G375W326-L377 HydrophobicContact CD2-CD2 3.79Å; W326-L377 HydrophobicContact CE3-CB 4.47Å; W326-L377 HydrophobicContact CE3-CD2 3.88Å; W326-L377 HydrophobicContact CG-CD2 4.33Å; W326-L377 HydrophobicContact CH2-CD2 4.3Å; W326-L377 HydrophobicContact CZ2-CD2 4.2Å; W326-L377 HydrophobicContact CZ3-CB 4.2Å; W326-L377 HydrophobicContact CZ3-CD2 4.14Å; W326-L377 WeakPolarHBondContact CZ3-O 3.35Å; V330-L377 HydrophobicContact CG2-CD2 3.84Å; P341-L377 HydrophobicContact CB-CD1 4.43Å; I359-L377 HydrophobicContact CD1-CB 4.23Å; I359-L377 HydrophobicContact CD1-CD1 3.2Å; I359-L377 HydrophobicContact CD1-CG 4.31Å; L373-L377 VanDerWaalsContact O-CB 3.26Å; L373-L377 WeakPolarHBondContact O-CB 3.2Å; L373-L377 PolarHBondContact O-N 3.41Å; G375-L377 VanDerWaalsContact C-N 3.34Å; G375-L377 PolarHBondContact O-N 3.09Å
378K98Very high96.1Very high93 Ų9345 Ų4540%0.40424%0.236SC..  trans-66.4131.8164.5-73.6-67.2-172.1164.90109.7S374 G375 R384S374-K378 WeakPolarHBondContact O-CG 3.42Å; G375-K378 WeakPolarHBondContact O-CG 3.19Å; K378-R384 HydrophobicContact CB-CB 4.13Å; K378-R384 HydrophobicContact CB-CG 4.38Å; K378-R384 PolarHBondContact O-NE 3.42Å; K378-R384 PolarHBondContact O-NH2 2.96Å
379K94.9Very high95.6Very high51 Ų5147.2 Ų47.222%0.22226%0.258CS..SBendtrans-69.5-40.8-177.6-56.4-169.1-172.1-68.60112.5P311 L353 I354 L355 E357 P381 R384P311-K379 HydrophobicContact CB-CB 4.47Å; P311-K379 HydrophobicContact CG-CB 4.12Å; P311-K379 HydrophobicContact CG-CG 4.32Å; L353-K379 PolarHBondContact O-NZ 3.06Å; I354-K379 PolarHBondContact O-NZ 3.09Å; L355-K379 WeakPolarHBondContact O-CD 3.05Å; L355-K379 WeakPolarHBondContact O-CE 3.37Å; E357-K379 VanDerWaalsContact O-CE 3.29Å; E357-K379 WeakPolarHBondContact O-CE 3.08Å; E357-K379 PolarHBondContact O-NZ 3.48Å; K379-P381 WeakPolarHBondContact O-CD 3.11Å; K379-R384 PolarHBondContact O-NH2 3.33Å; K379-R384 VanDerWaalsContact O-NH2 3.13Å
380D91.8Very high95.3Very high70 Ų7051.4 Ų51.437%0.37428%0.28SS..SBendtrans-73.6115.7172.3-179.2-5.1000109.9M382 Q383 R384D380-M382 PolarHBondContact O-N 3.01Å; D380-M382 WeakPolarHBondContact OD1-CB 3.36Å; D380-M382 PolarHBondContact OD1-N 2.94Å; D380-Q383 HydrophobicContact CB-CB 4.25Å; D380-Q383 HydrophobicContact CB-CG 4.29Å; D380-Q383 PolarHBondContact O-N 3.15Å; D380-Q383 VanDerWaalsContact O-N 3.15Å; D380-R384 PolarHBondContact O-N 3.21Å; D380-R384 VanDerWaalsContact O-N 3.13Å
381P90.8Very high95.2Very high28 Ų2845.3 Ų45.318%0.18226%0.258CS..G310 helixtrans-62.1-27.2-179.925.3-34.2000113.2E312 A322 K379 Q383 R384 G387E312-P381 HydrophobicContact CB-CG 4.42Å; E312-P381 HydrophobicContact CG-CG 4.37Å; A322-P381 HydrophobicContact CB-CB 3.83Å; K379-P381 WeakPolarHBondContact O-CD 3.11Å; P381-Q383 VanDerWaalsContact C-N 3.3Å; P381-Q383 PolarHBondContact O-N 3.24Å; P381-R384 WeakPolarHBondContact O-CB 3.46Å; P381-R384 PolarHBondContact O-N 3.42Å; P381-G387 WeakPolarHBondContact O-CA 3.33Å
382M89.1Confident95.1Very high141 Ų14142.2 Ų42.270%0.69524%0.237SC*.G310 helixtrans-75.8-20.3178.9-62.4-64.898.900112.8D380D380-M382 PolarHBondContact O-N 3.01Å; D380-M382 WeakPolarHBondContact OD1-CB 3.36Å; D380-M382 PolarHBondContact OD1-N 2.94Å
383Q94.8Very high95.1Very high131 Ų13147.7 Ų47.761%0.61226%0.26SS*.G310 helixtrans-99.9-2.9173.7-62.5-173.25.800112.8D380 P381D380-Q383 HydrophobicContact CB-CB 4.25Å; D380-Q383 HydrophobicContact CB-CG 4.29Å; D380-Q383 PolarHBondContact O-N 3.15Å; D380-Q383 VanDerWaalsContact O-N 3.15Å; P381-Q383 VanDerWaalsContact C-N 3.3Å; P381-Q383 PolarHBondContact O-N 3.24Å
384R97.9Very high95Very high3 Ų350.2 Ų50.21%0.01127%0.272CS..SBendtrans-73.9141.3-179.4-167177.1-64.1147.47.2109.9E312 A322 G375 L376 K378 K379 D380 P381 G386 G387E312-R384 IonicContact OE1-CZ 3.94Å; E312-R384 IonicContact OE1-NH1 3.98Å; E312-R384 PolarHBondContact OE1-NH1 3.08Å; E312-R384 IonicContact OE1-NH2 3.02Å; E312-R384 PolarHBondContact OE1-NH2 2.68Å; E312-R384 IonicContact OE2-CZ 3.49Å; E312-R384 IonicContact OE2-NH1 3.99Å; E312-R384 PolarHBondContact OE2-NH1 3.16Å; E312-R384 IonicContact OE2-NH2 3.33Å; E312-R384 PolarHBondContact OE2-NH2 2.85Å; A322-R384 WeakPolarHBondContact O-CD 3.44Å; A322-R384 PolarHBondContact O-NH1 3.47Å; G375-R384 WeakPolarHBondContact O-CG 3.49Å; L376-R384 WeakPolarHBondContact O-CD 3.27Å; L376-R384 WeakPolarHBondContact O-CG 3.12Å; K378-R384 HydrophobicContact CB-CB 4.13Å; K378-R384 HydrophobicContact CB-CG 4.38Å; K378-R384 PolarHBondContact O-NE 3.42Å; K378-R384 PolarHBondContact O-NH2 2.96Å; K379-R384 PolarHBondContact O-NH2 3.33Å; K379-R384 VanDerWaalsContact O-NH2 3.13Å; D380-R384 PolarHBondContact O-N 3.21Å; D380-R384 VanDerWaalsContact O-N 3.13Å; P381-R384 WeakPolarHBondContact O-CB 3.46Å; P381-R384 PolarHBondContact O-N 3.42Å; R384-G386 PolarHBondContact O-N 2.83Å; R384-G387 WeakPolarHBondContact O-CA 3.34Å; R384-G387 PolarHBondContact O-N 3.48Å
385L98.4Very high95.1Very high31 Ų3148.3 Ų48.316%0.16226%0.259CS..THydrogen-bonded Turntrans-61.4124.2173-175.771.1000109.2L372 G375 L376 G387 E394 I395 H398L372-L385 HydrophobicContact CD1-CD2 3.63Å; G375-L385 PolarHBondContact O-N 3.25Å; L376-L385 HydrophobicContact CD2-CB 4.35Å; L376-L385 HydrophobicContact CD2-CD2 4.3Å; L376-L385 HydrophobicContact CG-CD2 4.41Å; L385-G387 VanDerWaalsContact C-N 3.32Å; L385-E394 HydrophobicContact CD1-CB 3.98Å; L385-I395 HydrophobicContact CD2-CG1 4.04Å; L385-I395 HydrophobicContact CG-CG1 3.84Å; L385-H398 HydrophobicContact CD2-CB 4.33Å
386G96.4Very high95.1Very high0 Ų049.4 Ų49.40%026%0.26CS..THydrogen-bonded Turntrans83.33.2-171.400000114.4W325 R384 D391 E394W325-G386 VanDerWaalsContact CD1-C 3.43Å; W325-G386 PolarHBondContact NE1-O 3.43Å; R384-G386 PolarHBondContact O-N 2.83Å; G386-D391 VanDerWaalsContact CA-O 3.3Å; G386-D391 WeakPolarHBondContact CA-O 3.34Å; G386-D391 WeakPolarHBondContact O-CA 3.27Å; G386-E394 WeakPolarHBondContact CA-OE2 3.48Å; G386-E394 PolarHBondContact N-OE2 3.13Å
387G91.3Very high95Very high16 Ų1656.8 Ų56.817%0.16530%0.295CS..  trans-81.4-15175.700000114.1P381 R384 L385P381-G387 WeakPolarHBondContact O-CA 3.33Å; R384-G387 WeakPolarHBondContact O-CA 3.34Å; R384-G387 PolarHBondContact O-N 3.48Å; L385-G387 VanDerWaalsContact C-N 3.32Å
388G88.9Confident95.1Very high25 Ų2557.7 Ų57.726%0.25830%0.299SS..SBendtrans-80.9-178.9177.300000113.9D390 D391 E394G388-D390 PolarHBondContact O-N 3.2Å; G388-D391 PolarHBondContact O-N 2.9Å; G388-D391 VanDerWaalsContact O-N 3.09Å; G388-E394 VanDerWaalsContact CA-OE1 3.28Å; G388-E394 WeakPolarHBondContact CA-OE1 3.31Å; G388-E394 PolarHBondContact N-OE1 2.95Å
389P88.3Confident95.1Very high131 Ų13161.1 Ų61.185%0.85131%0.314SS*.THydrogen-bonded Turntrans-65.6-19.7-177.628.1-35.8000113.8D391P389-D391 VanDerWaalsContact C-N 3.3Å
390D92.3Very high95.3Very high89 Ų8958.8 Ų58.848%0.47630%0.304SS..THydrogen-bonded Turntrans-82.4-9.7177.4-79-38.3000112.9G388 A392 K393 E394G388-D390 PolarHBondContact O-N 3.2Å; D390-A392 PolarHBondContact O-N 2.9Å; D390-K393 HydrophobicContact CB-CB 4.28Å; D390-K393 VanDerWaalsContact O-CB 3.24Å; D390-K393 WeakPolarHBondContact O-CB 3.42Å; D390-K393 WeakPolarHBondContact O-CG 3.45Å; D390-K393 PolarHBondContact O-N 2.87Å; D390-E394 HydrophobicContact CB-CG 3.78Å
391D95.1Very high95.6Very high13 Ų1355.6 Ų55.67%0.0729%0.286CS..THydrogen-bonded Turntrans45.4-121.8172.2-168.660.8000112.3H258 W325 G386 G388 P389 K393 E394H258-D391 WeakPolarHBondContact CB-OD2 3.33Å; H258-D391 IonicContact CE1-OD1 3.16Å; H258-D391 IonicContact CE1-OD2 2.84Å; H258-D391 IonicContact CG-OD2 3.15Å; H258-D391 IonicContact ND1-OD1 2.8Å; H258-D391 PolarHBondContact ND1-OD1 3.38Å; H258-D391 IonicContact ND1-OD2 2.99Å; H258-D391 PolarHBondContact ND1-OD2 3.44Å; W325-D391 WeakPolarHBondContact CZ2-OD2 3.5Å; W325-D391 PolarHBondContact NE1-OD1 3.49Å; G386-D391 VanDerWaalsContact CA-O 3.3Å; G386-D391 WeakPolarHBondContact CA-O 3.34Å; G386-D391 WeakPolarHBondContact O-CA 3.27Å; G388-D391 PolarHBondContact O-N 2.9Å; G388-D391 VanDerWaalsContact O-N 3.09Å; P389-D391 VanDerWaalsContact C-N 3.3Å; D391-K393 PolarHBondContact O-N 2.85Å; D391-E394 PolarHBondContact O-N 2.88Å
392A97.5Very high95.9Very high0 Ų057.9 Ų57.90%031%0.308CS..Hα-helixtrans-54.8-29.6-179.400000114V251 D255 W325 D390 E394 I395 M396V251-A392 HydrophobicContact CG1-CB 4.49Å; D255-A392 HydrophobicContact CB-CB 3.55Å; D255-A392 WeakPolarHBondContact OD1-CB 3.48Å; W325-A392 HydrophobicContact CH2-CB 3.62Å; W325-A392 HydrophobicContact CZ2-CB 3.65Å; D390-A392 PolarHBondContact O-N 2.9Å; A392-E394 VanDerWaalsContact C-N 3.26Å; A392-E394 PolarHBondContact O-N 2.86Å; A392-I395 WeakPolarHBondContact O-CB 3.44Å; A392-I395 PolarHBondContact O-N 3.27Å; A392-M396 HydrophobicContact CB-SD 4.33Å; A392-M396 VanDerWaalsContact O-CG 3.24Å; A392-M396 WeakPolarHBondContact O-CG 3.15Å; A392-M396 PolarHBondContact O-N 2.96Å
393K97.9Very high96.3Very high114 Ų11455.3 Ų55.350%0.49632%0.317SS..Hα-helixtrans-63.1-32.9-176.7-60.9174-175.6165.40112.4D390 D391 I395 M396 Q397D390-K393 HydrophobicContact CB-CB 4.28Å; D390-K393 VanDerWaalsContact O-CB 3.24Å; D390-K393 WeakPolarHBondContact O-CB 3.42Å; D390-K393 WeakPolarHBondContact O-CG 3.45Å; D390-K393 PolarHBondContact O-N 2.87Å; D391-K393 PolarHBondContact O-N 2.85Å; K393-I395 VanDerWaalsContact C-N 3.29Å; K393-I395 PolarHBondContact O-N 3.45Å; K393-M396 PolarHBondContact O-N 2.78Å; K393-Q397 WeakPolarHBondContact O-CB 3.33Å; K393-Q397 VanDerWaalsContact O-CG 3.25Å; K393-Q397 WeakPolarHBondContact O-CG 3.43Å; K393-Q397 PolarHBondContact O-N 2.86Å
394E98.3Very high96.4Very high54 Ų5450.8 Ų50.825%0.25230%0.297SS..Hα-helixtrans-61.3-42.4175.2-62.9-177.2-170.800111L385 G386 G388 D390 D391 A392 H398L385-E394 HydrophobicContact CD1-CB 3.98Å; G386-E394 WeakPolarHBondContact CA-OE2 3.48Å; G386-E394 PolarHBondContact N-OE2 3.13Å; G388-E394 VanDerWaalsContact CA-OE1 3.28Å; G388-E394 WeakPolarHBondContact CA-OE1 3.31Å; G388-E394 PolarHBondContact N-OE1 2.95Å; D390-E394 HydrophobicContact CB-CG 3.78Å; D391-E394 PolarHBondContact O-N 2.88Å; A392-E394 VanDerWaalsContact C-N 3.26Å; A392-E394 PolarHBondContact O-N 2.86Å; E394-H398 PolarHBondContact O-N 3.38Å
395I98.8Very high96.4Very high0 Ų054.4 Ų54.40%032%0.316CS..Hα-helixtrans-70.5-43178.3-59166.9000109.8V251 W325 L328 L372 L376 L385 A392 K393 Q397 H398 F401V251-I395 HydrophobicContact CG1-CG2 4.48Å; V251-I395 HydrophobicContact CG2-CG2 3.81Å; W325-I395 HydrophobicContact CB-CD1 4.17Å; W325-I395 HydrophobicContact CD2-CD1 3.24Å; W325-I395 HydrophobicContact CE3-CD1 3.2Å; W325-I395 HydrophobicContact CG-CD1 3.68Å; W325-I395 HydrophobicContact CH2-CD1 4.18Å; W325-I395 HydrophobicContact CZ2-CD1 4.22Å; W325-I395 HydrophobicContact CZ3-CD1 3.69Å; L328-I395 HydrophobicContact CD2-CD1 4.38Å; L328-I395 HydrophobicContact CD2-CG2 4.38Å; L372-I395 HydrophobicContact CD1-CG2 4.37Å; L376-I395 HydrophobicContact CD2-CD1 3.76Å; L376-I395 HydrophobicContact CD2-CG1 4.04Å; L385-I395 HydrophobicContact CD2-CG1 4.04Å; L385-I395 HydrophobicContact CG-CG1 3.84Å; A392-I395 WeakPolarHBondContact O-CB 3.44Å; A392-I395 PolarHBondContact O-N 3.27Å; K393-I395 VanDerWaalsContact C-N 3.29Å; K393-I395 PolarHBondContact O-N 3.45Å; I395-Q397 PolarHBondContact O-N 2.81Å; I395-H398 VanDerWaalsContact O-CB 3.25Å; I395-H398 WeakPolarHBondContact O-CB 3.3Å; I395-H398 PolarHBondContact O-N 2.79Å; I395-F401 HydrophobicContact CG2-CD2 4.28Å; I395-F401 HydrophobicContact CG2-CE2 3.73Å; I395-F401 WeakPolarHBondContact O-CD2 3.47Å
396M98.7Very high96.4Very high39 Ų3955 Ų5519%0.19232%0.316CS..Hα-helixtrans-61.3-30.4-179.5-68.8167.980.100113.5V251 A392 K393 W406V251-M396 HydrophobicContact CG1-CG 3.8Å; A392-M396 HydrophobicContact CB-SD 4.33Å; A392-M396 VanDerWaalsContact O-CG 3.24Å; A392-M396 WeakPolarHBondContact O-CG 3.15Å; A392-M396 PolarHBondContact O-N 2.96Å; K393-M396 PolarHBondContact O-N 2.78Å; M396-W406 HydrophobicContact CB-CD2 4.13Å; M396-W406 HydrophobicContact CB-CH2 4.37Å; M396-W406 HydrophobicContact CB-CZ2 3.7Å; M396-W406 HydrophobicContact CE-CB 3.48Å; M396-W406 VanDerWaalsContact CE-CB 3.48Å; M396-W406 HydrophobicContact CE-CD2 3.4Å; M396-W406 HydrophobicContact CE-CE3 3.81Å; M396-W406 HydrophobicContact CE-CG 3.2Å; M396-W406 HydrophobicContact CG-CD2 3.77Å; M396-W406 HydrophobicContact CG-CE3 3.97Å; M396-W406 HydrophobicContact CG-CG 4.43Å; M396-W406 HydrophobicContact CG-CH2 3.87Å; M396-W406 HydrophobicContact CG-CZ2 3.68Å; M396-W406 HydrophobicContact CG-CZ3 4Å; M396-W406 PolarHBondContact O-NE1 2.83Å; M396-W406 VanDerWaalsContact O-NE1 3.14Å; M396-W406 HydrophobicContact SD-CD2 4.4Å
397Q98.4Very high96.5Very high155 Ų15559.8 Ų59.872%0.72434%0.338SS*.THydrogen-bonded Turntrans-89.2-8.1178.2-66.5171.422.900113.3K393 I395K393-Q397 WeakPolarHBondContact O-CB 3.33Å; K393-Q397 VanDerWaalsContact O-CG 3.25Å; K393-Q397 WeakPolarHBondContact O-CG 3.43Å; K393-Q397 PolarHBondContact O-N 2.86Å; I395-Q397 PolarHBondContact O-N 2.81Å
398H98.8Very high96.9Very high28 Ų2861 Ų6113%0.1334%0.341CS..SBendtrans-64.9140.7-178.5-173.3-89.6000111.4E368 S371 L372 L385 E394 I395 F400 F401E368-H398 PolarHBondContact O-CE1 3.16Å; S371-H398 PolarHBondContact OG-NE2 2.86Å; L372-H398 VanDerWaalsContact CA-CE1 3.46Å; L372-H398 WeakPolarHBondContact CA-CE1 3.34Å; L372-H398 HydrophobicContact CD1-CB 4.35Å; L372-H398 PolarHBondContact N-CE1 3.34Å; L372-H398 VanDerWaalsContact N-CE1 3.27Å; L385-H398 HydrophobicContact CD2-CB 4.33Å; E394-H398 PolarHBondContact O-N 3.38Å; I395-H398 VanDerWaalsContact O-CB 3.25Å; I395-H398 WeakPolarHBondContact O-CB 3.3Å; I395-H398 PolarHBondContact O-N 2.79Å; H398-F400 WeakPolarHBondContact ND1-CB 3.32Å; H398-F400 PolarHBondContact ND1-N 3.43Å; H398-F400 PolarHBondContact O-N 2.94Å; H398-F401 PolarHBondContact O-N 2.73Å
399K98.6Very high97.3Very high164 Ų16459.8 Ų59.871%0.71333%0.329SS*.G310 helixtrans-55.8-26.3-174-69-175.4179.7178.90114.9E368 F401 A402E368-K399 HydrophobicContact CG-CB 4.27Å; K399-F401 PolarHBondContact O-N 2.74Å; K399-A402 WeakPolarHBondContact O-CB 3.45Å; K399-A402 PolarHBondContact O-N 3.3Å; K399-A402 VanDerWaalsContact O-N 3.1Å
400F98.8Very high97.8Very high3 Ų357.9 Ų57.91%0.01331%0.305CS..G310 helixtrans-59.8-31.9174.4-177.7-96.2000112.9E240 R244 M332 M336 E368 A369 L372 H398E240-F400 HydrophobicContact CB-CE2 4.26Å; R244-F400 HydrophobicContact CB-CD1 4.5Å; R244-F400 HydrophobicContact CB-CE1 3.62Å; R244-F400 HydrophobicContact CB-CZ 3.83Å; R244-F400 WeakPolarHBondContact CD-O 3.45Å; R244-F400 HydrophobicContact CG-CD1 4.3Å; R244-F400 HydrophobicContact CG-CE1 3.87Å; R244-F400 HydrophobicContact CG-CZ 4.45Å; R244-F400 PolarHBondContact NE-O 3.46Å; M332-F400 HydrophobicContact CE-CD1 4.1Å; M332-F400 HydrophobicContact CE-CE1 3.41Å; M332-F400 VanDerWaalsContact CE-CE1 3.41Å; M332-F400 HydrophobicContact CE-CZ 4.02Å; M336-F400 HydrophobicContact CE-CZ 4.5Å; M336-F400 HydrophobicContact SD-CE2 4.12Å; M336-F400 HydrophobicContact SD-CZ 4.01Å; E368-F400 HydrophobicContact CB-CB 4.28Å; E368-F400 HydrophobicContact CB-CD2 4.24Å; A369-F400 HydrophobicContact CB-CD2 3.93Å; A369-F400 HydrophobicContact CB-CE2 3.72Å; L372-F400 HydrophobicContact CB-CB 4.01Å; L372-F400 HydrophobicContact CB-CG 4.31Å; L372-F400 HydrophobicContact CD2-CB 3.94Å; L372-F400 HydrophobicContact CD2-CD1 3.33Å; L372-F400 HydrophobicContact CD2-CD2 4.48Å; L372-F400 HydrophobicContact CD2-CE1 3.89Å; L372-F400 HydrophobicContact CD2-CG 3.65Å; L372-F400 HydrophobicContact CG-CB 4.46Å; H398-F400 WeakPolarHBondContact ND1-CB 3.32Å; H398-F400 PolarHBondContact ND1-N 3.43Å; H398-F400 PolarHBondContact O-N 2.94Å
401F98.8Very high98.1Very high3 Ų357.9 Ų57.91%0.01330%0.303CS..G310 helixtrans-98.515.1176.6-62.9-72.9000112.8R244 A248 M332 L372 I395 H398 K399 G403 I404 W406R244-F401 HydrophobicContact CG-CD1 3.8Å; R244-F401 HydrophobicContact CG-CE1 4.09Å; A248-F401 HydrophobicContact CB-CD1 4.27Å; A248-F401 HydrophobicContact CB-CE1 4.14Å; M332-F401 HydrophobicContact CE-CZ 3.97Å; M332-F401 HydrophobicContact SD-CZ 4.26Å; L372-F401 HydrophobicContact CD1-CE2 4.11Å; L372-F401 HydrophobicContact CD2-CE2 3.76Å; L372-F401 HydrophobicContact CD2-CZ 4.09Å; I395-F401 HydrophobicContact CG2-CD2 4.28Å; I395-F401 HydrophobicContact CG2-CE2 3.73Å; I395-F401 WeakPolarHBondContact O-CD2 3.47Å; H398-F401 PolarHBondContact O-N 2.73Å; K399-F401 PolarHBondContact O-N 2.74Å; F401-G403 PolarHBondContact O-N 3.1Å; F401-I404 HydrophobicContact CB-CG1 4.29Å; F401-I404 HydrophobicContact CD1-CG1 4.42Å; F401-I404 WeakPolarHBondContact O-CB 3.28Å; F401-I404 WeakPolarHBondContact O-CG1 3.34Å; F401-I404 PolarHBondContact O-N 3.28Å; F401-W406 HydrophobicContact CB-CZ2 3.83Å; F401-W406 HydrophobicContact CD1-CH2 4.17Å; F401-W406 HydrophobicContact CD1-CZ2 4.24Å; F401-W406 HydrophobicContact CD2-CZ2 4.4Å; F401-W406 HydrophobicContact CG-CH2 4.19Å; F401-W406 AromaticContact CG-CZ2 3.92Å; F401-W406 HydrophobicContact CG-CZ2 3.92Å
402A97.9Very high98.2Very high76 Ų7660.4 Ų60.463%0.62831%0.313SS*.THydrogen-bonded Turntrans-56.3131.2176.900000111K399K399-A402 WeakPolarHBondContact O-CB 3.45Å; K399-A402 PolarHBondContact O-N 3.3Å; K399-A402 VanDerWaalsContact O-N 3.1Å
403G95.7Very high98.3Very high86 Ų8666.2 Ų66.289%0.88734%0.338SS*.THydrogen-bonded Turntrans87.6-5.7-17800000115.2F401 N405F401-G403 PolarHBondContact O-N 3.1Å; G403-N405 PolarHBondContact O-N 3.4Å
404I98.1Very high98.2Very high37 Ų3762.7 Ų62.719%0.1933%0.325CS..  trans-75124.7171.7-63.2-64000109.8R244 A248 F401 W406 V409 L414R244-I404 HydrophobicContact CG-CD1 4.46Å; R244-I404 HydrophobicContact CG-CG1 4.48Å; A248-I404 HydrophobicContact CB-CG2 4.36Å; F401-I404 HydrophobicContact CB-CG1 4.29Å; F401-I404 HydrophobicContact CD1-CG1 4.42Å; F401-I404 WeakPolarHBondContact O-CB 3.28Å; F401-I404 WeakPolarHBondContact O-CG1 3.34Å; F401-I404 PolarHBondContact O-N 3.28Å; I404-W406 HydrophobicContact CG2-CD2 4.13Å; I404-W406 HydrophobicContact CG2-CG 4.48Å; I404-W406 HydrophobicContact CG2-CZ2 4.28Å; I404-V409 HydrophobicContact CG2-CG2 3.5Å; I404-L414 HydrophobicContact CD1-CD1 4.17Å
405N98.4Very high98.2Very high78 Ų7866.1 Ų66.142%0.41735%0.349SS..  trans-88.7109.4165.5-178.8-10.9000109.2G403 Q407 D408 V409G403-N405 PolarHBondContact O-N 3.4Å; N405-Q407 VanDerWaalsContact C-N 3.28Å; N405-Q407 PolarHBondContact O-N 3.43Å; N405-Q407 WeakPolarHBondContact OD1-CB 3.46Å; N405-Q407 PolarHBondContact OD1-N 3.44Å; N405-D408 HydrophobicContact CB-CB 4.02Å; N405-D408 WeakPolarHBondContact CB-OD2 3.43Å; N405-D408 VanDerWaalsContact CG-OD2 3.28Å; N405-D408 VanDerWaalsContact ND2-CG 3.34Å; N405-D408 PolarHBondContact ND2-OD2 3.07Å; N405-D408 WeakPolarHBondContact O-CB 3.34Å; N405-D408 PolarHBondContact O-N 3.22Å; N405-V409 PolarHBondContact O-N 3.14Å
406W98.4Very high98.1Very high44 Ų4467.4 Ų67.417%0.16736%0.357CS..Hα-helixtrans-66.9-25.4-176.1-6698.5000114.1A248 V251 M396 F401 I404 V409 Y410A248-W406 HydrophobicContact CB-CH2 4.07Å; A248-W406 HydrophobicContact CB-CZ3 4.01Å; A248-W406 WeakPolarHBondContact O-CZ3 3.48Å; V251-W406 HydrophobicContact CB-CH2 4Å; V251-W406 HydrophobicContact CB-CZ3 3.84Å; V251-W406 HydrophobicContact CG1-CH2 3.75Å; V251-W406 HydrophobicContact CG1-CZ3 3.63Å; M396-W406 HydrophobicContact CB-CD2 4.13Å; M396-W406 HydrophobicContact CB-CH2 4.37Å; M396-W406 HydrophobicContact CB-CZ2 3.7Å; M396-W406 HydrophobicContact CE-CB 3.48Å; M396-W406 VanDerWaalsContact CE-CB 3.48Å; M396-W406 HydrophobicContact CE-CD2 3.4Å; M396-W406 HydrophobicContact CE-CE3 3.81Å; M396-W406 HydrophobicContact CE-CG 3.2Å; M396-W406 HydrophobicContact CG-CD2 3.77Å; M396-W406 HydrophobicContact CG-CE3 3.97Å; M396-W406 HydrophobicContact CG-CG 4.43Å; M396-W406 HydrophobicContact CG-CH2 3.87Å; M396-W406 HydrophobicContact CG-CZ2 3.68Å; M396-W406 HydrophobicContact CG-CZ3 4Å; M396-W406 PolarHBondContact O-NE1 2.83Å; M396-W406 VanDerWaalsContact O-NE1 3.14Å; M396-W406 HydrophobicContact SD-CD2 4.4Å; F401-W406 HydrophobicContact CB-CZ2 3.83Å; F401-W406 HydrophobicContact CD1-CH2 4.17Å; F401-W406 HydrophobicContact CD1-CZ2 4.24Å; F401-W406 HydrophobicContact CD2-CZ2 4.4Å; F401-W406 HydrophobicContact CG-CH2 4.19Å; F401-W406 AromaticContact CG-CZ2 3.92Å; F401-W406 HydrophobicContact CG-CZ2 3.92Å; I404-W406 HydrophobicContact CG2-CD2 4.13Å; I404-W406 HydrophobicContact CG2-CG 4.48Å; I404-W406 HydrophobicContact CG2-CZ2 4.28Å; W406-V409 HydrophobicContact CE3-CG2 4.33Å; W406-V409 WeakPolarHBondContact O-CB 3.32Å; W406-V409 PolarHBondContact O-N 3.25Å; W406-Y410 PolarHBondContact O-N 3.38Å
407Q98.2Very high98Very high100 Ų10068.7 Ų68.747%0.46737%0.369SS..Hα-helixtrans-69.3-38.8171.2-171.161.831.600110.9N405 V409 Y410 E411N405-Q407 VanDerWaalsContact C-N 3.28Å; N405-Q407 PolarHBondContact O-N 3.43Å; N405-Q407 WeakPolarHBondContact OD1-CB 3.46Å; N405-Q407 PolarHBondContact OD1-N 3.44Å; Q407-V409 VanDerWaalsContact C-N 3.29Å; Q407-V409 PolarHBondContact O-N 3.3Å; Q407-Y410 PolarHBondContact O-N 3.45Å; Q407-E411 PolarHBondContact NE2-OE1 3.24Å; Q407-E411 WeakPolarHBondContact O-CB 3.45Å; Q407-E411 WeakPolarHBondContact O-CG 3.28Å; Q407-E411 PolarHBondContact O-N 2.94Å
408D98.6Very high97.9Very high41 Ų4162.9 Ų62.922%0.21934%0.341CS..Hα-helixtrans-70.3-28.2176.5-67.3-26.9000111.9N405 K412 K413 L414N405-D408 HydrophobicContact CB-CB 4.02Å; N405-D408 WeakPolarHBondContact CB-OD2 3.43Å; N405-D408 VanDerWaalsContact CG-OD2 3.28Å; N405-D408 VanDerWaalsContact ND2-CG 3.34Å; N405-D408 PolarHBondContact ND2-OD2 3.07Å; N405-D408 WeakPolarHBondContact O-CB 3.34Å; N405-D408 PolarHBondContact O-N 3.22Å; D408-K412 PolarHBondContact O-N 3.41Å; D408-K413 HydrophobicContact CB-CB 3.9Å; D408-K413 HydrophobicContact CB-CD 4.16Å; D408-K413 PolarHBondContact O-N 2.96Å; D408-K413 WeakPolarHBondContact OD1-CD 3.45Å; D408-K413 IonicContact OD1-NZ 3.37Å; D408-K413 PolarHBondContact OD1-NZ 3.29Å; D408-L414 HydrophobicContact CB-CD2 4.21Å
409V98.6Very high97.7Very high1 Ų168.1 Ų68.11%0.00636%0.363CS..Hα-helixtrans-61.2-58167.4175.20000109.5F202 A248 E249 I404 N405 W406 Q407 E411 K412 L414F202-V409 HydrophobicContact CE2-CG1 3.81Å; F202-V409 WeakPolarHBondContact CE2-O 3.41Å; F202-V409 HydrophobicContact CZ-CG1 4.36Å; F202-V409 WeakPolarHBondContact CZ-O 3.26Å; A248-V409 HydrophobicContact CB-CG1 4.48Å; A248-V409 HydrophobicContact CB-CG2 4.11Å; E249-V409 HydrophobicContact CG-CG1 4.32Å; I404-V409 HydrophobicContact CG2-CG2 3.5Å; N405-V409 PolarHBondContact O-N 3.14Å; W406-V409 HydrophobicContact CE3-CG2 4.33Å; W406-V409 WeakPolarHBondContact O-CB 3.32Å; W406-V409 PolarHBondContact O-N 3.25Å; Q407-V409 VanDerWaalsContact C-N 3.29Å; Q407-V409 PolarHBondContact O-N 3.3Å; V409-E411 VanDerWaalsContact C-N 3.3Å; V409-E411 PolarHBondContact O-N 3.16Å; V409-K412 PolarHBondContact O-N 2.71Å; V409-L414 HydrophobicContact CG2-CD1 3.5Å; V409-L414 HydrophobicContact CG2-CG 4.22Å
410Y98.3Very high97.4Very high90 Ų9060.6 Ų60.635%0.35333%0.331SS..Hα-helixtrans-56.3-43-179.7-178.4-93.1000112.2H200 P201 W406 Q407 K412H200-Y410 AromaticContact CD2-CD2 3.89Å; H200-Y410 AromaticContact CD2-CE2 3.58Å; H200-Y410 AromaticContact NE2-CD2 3.46Å; H200-Y410 WeakPolarHBondContact NE2-CD2 3.36Å; H200-Y410 AromaticContact NE2-CE2 3.68Å; P201-Y410 HydrophobicContact CG-CD2 4.42Å; P201-Y410 HydrophobicContact CG-CE2 4.3Å; P201-Y410 VanDerWaalsContact CG-O 3.27Å; P201-Y410 WeakPolarHBondContact CG-O 3.45Å; W406-Y410 PolarHBondContact O-N 3.38Å; Q407-Y410 PolarHBondContact O-N 3.45Å; Y410-K412 PolarHBondContact O-N 3.45Å
411E98.1Very high97.1Very high89 Ų8967 Ų6742%0.41636%0.361SS..THydrogen-bonded Turntrans-78.46.1-179.5-67.4176.6-174.900114.2Q407 V409 K413Q407-E411 PolarHBondContact NE2-OE1 3.24Å; Q407-E411 WeakPolarHBondContact O-CB 3.45Å; Q407-E411 WeakPolarHBondContact O-CG 3.28Å; Q407-E411 PolarHBondContact O-N 2.94Å; V409-E411 VanDerWaalsContact C-N 3.3Å; V409-E411 PolarHBondContact O-N 3.16Å; E411-K413 HydrophobicContact CB-CD 4.1Å; E411-K413 HydrophobicContact CB-CG 4.16Å; E411-K413 PolarHBondContact O-N 2.87Å; E411-K413 WeakPolarHBondContact OE2-CE 3.24Å; E411-K413 IonicContact OE2-NZ 3.2Å; E411-K413 PolarHBondContact OE2-NZ 2.95Å
412K98.3Very high96.6Very high66 Ų6668.4 Ų68.429%0.28737%0.37SS..THydrogen-bonded Turntrans54.235.4-177.2-56-174.368.3179.80113.5P201 F202 D276 H280 D408 V409 Y410P201-K412 HydrophobicContact CB-CD 4.11Å; P201-K412 HydrophobicContact CB-CG 4.04Å; F202-K412 HydrophobicContact CE1-CD 4.26Å; F202-K412 HydrophobicContact CE1-CG 3.8Å; F202-K412 HydrophobicContact CZ-CG 3.98Å; D276-K412 IonicContact OD2-NZ 2.67Å; D276-K412 PolarHBondContact OD2-NZ 3.47Å; H280-K412 WeakPolarHBondContact CD2-CE 3.41Å; D408-K412 PolarHBondContact O-N 3.41Å; V409-K412 PolarHBondContact O-N 2.71Å; Y410-K412 PolarHBondContact O-N 3.45Å
413K98.1Very high96.1Very high122 Ų12270.4 Ų70.453%0.5338%0.375SS..  trans-85.6-19.7178.2-75.4168.5168169.70113.3D408 E411D408-K413 HydrophobicContact CB-CB 3.9Å; D408-K413 HydrophobicContact CB-CD 4.16Å; D408-K413 PolarHBondContact O-N 2.96Å; D408-K413 WeakPolarHBondContact OD1-CD 3.45Å; D408-K413 IonicContact OD1-NZ 3.37Å; D408-K413 PolarHBondContact OD1-NZ 3.29Å; E411-K413 HydrophobicContact CB-CD 4.1Å; E411-K413 HydrophobicContact CB-CG 4.16Å; E411-K413 PolarHBondContact O-N 2.87Å; E411-K413 WeakPolarHBondContact OE2-CE 3.24Å; E411-K413 IonicContact OE2-NZ 3.2Å; E411-K413 PolarHBondContact OE2-NZ 2.95Å
414L97.1Very high95.5Very high41 Ų4168.7 Ų68.722%0.21535%0.349CS..SBendtrans-67134.8172.5-60.1-167.1000110F245 H280 I404 D408 V409 P416F245-L414 HydrophobicContact CD2-CB 4.11Å; F245-L414 HydrophobicContact CE2-CB 3.67Å; H280-L414 PolarHBondContact CE1-O 2.82Å; I404-L414 HydrophobicContact CD1-CD1 4.17Å; D408-L414 HydrophobicContact CB-CD2 4.21Å; V409-L414 HydrophobicContact CG2-CD1 3.5Å; V409-L414 HydrophobicContact CG2-CG 4.22Å; L414-P416 WeakPolarHBondContact O-CD 3.42Å
415V97.2Very high94.6Very high126 Ų12672 Ų7276%0.76436%0.364SS*.PPolyproline II helixtrans-78.2124-180-179.70000109.5
416P97.6Very high94Very high27 Ų2771 Ų7118%0.17536%0.36CS..PPolyproline II helixtrans-60.4130.3176.3-2737000112F245 D278 H280 L414 F418F245-P416 HydrophobicContact CE1-CB 4.2Å; F245-P416 HydrophobicContact CE1-CG 4.49Å; F245-P416 HydrophobicContact CZ-CB 3.93Å; F245-P416 HydrophobicContact CZ-CG 3.83Å; D278-P416 WeakPolarHBondContact O-CG 3.33Å; H280-P416 WeakPolarHBondContact NE2-CG 3.35Å; L414-P416 WeakPolarHBondContact O-CD 3.42Å; P416-F418 PolarHBondContact O-N 2.88Å
417P96.6Very high93.3Very high66 Ų6669.7 Ų69.743%0.42936%0.357SS..SBendtrans-70.8-16.2178.929.5-36.3000112.6R242 F245R242-P417 HydrophobicContact CB-CB 4.42Å; R242-P417 HydrophobicContact CB-CG 4.11Å; R242-P417 HydrophobicContact CG-CB 4.48Å; R242-P417 HydrophobicContact CG-CG 3.86Å; F245-P417 HydrophobicContact CB-CG 4.05Å; F245-P417 VanDerWaalsContact CD1-CD 3.41Å; F245-P417 HydrophobicContact CD1-CG 4.06Å; F245-P417 VanDerWaalsContact CG-CD 3.42Å; F245-P417 HydrophobicContact CG-CG 4.04Å
418F95.9Very high92.7Very high33 Ų3365.6 Ų65.615%0.14534%0.338CS..  trans-136.6125.3175.2169.7-99.3000109.2H231 L275 G279 P416 P420H231-F418 AromaticContact CE1-CE1 3.51Å; H231-F418 AromaticContact CE1-CZ 3.7Å; H231-F418 AromaticContact ND1-CE1 3.63Å; H231-F418 AromaticContact ND1-CZ 3.67Å; L275-F418 HydrophobicContact CD1-CD1 3.74Å; L275-F418 HydrophobicContact CD1-CE1 3.95Å; G279-F418 WeakPolarHBondContact CA-O 3.47Å; P416-F418 PolarHBondContact O-N 2.88Å; F418-P420 HydrophobicContact CD1-CG 4.34Å; F418-P420 HydrophobicContact CE1-CB 4.27Å; F418-P420 HydrophobicContact CE1-CG 3.87Å
419K94.3Very high92.1Very high138 Ų13869.3 Ų69.360%0.635%0.349SS*.  trans-104.8119.2172.7-171.9170.9-175170.60109.5Q421K419-Q421 PolarHBondContact O-N 2.77Å
420P93Very high91.5Very high6 Ų670 Ų704%0.03935%0.352CS..  trans-56.6137.6175.8-25.935.3000111.8L275 D276 F418 V422 Y430L275-P420 HydrophobicContact CB-CG 4.15Å; L275-P420 HydrophobicContact CD1-CG 4.32Å; D276-P420 WeakPolarHBondContact O-CG 3.23Å; F418-P420 HydrophobicContact CD1-CG 4.34Å; F418-P420 HydrophobicContact CE1-CB 4.27Å; F418-P420 HydrophobicContact CE1-CG 3.87Å; P420-V422 HydrophobicContact CB-CG1 4.4Å; P420-V422 PolarHBondContact O-N 2.68Å; P420-Y430 HydrophobicContact CB-CD2 4.47Å; P420-Y430 HydrophobicContact CB-CE2 3.79Å
421Q91.9Very high90.7Very high138 Ų13866.8 Ų66.865%0.64534%0.34SS*.  trans-8656.2-179.3-62.3-177.8-700111K419 R429 Y430K419-Q421 PolarHBondContact O-N 2.77Å; Q421-R429 VanDerWaalsContact O-CD 3.3Å; Q421-R429 WeakPolarHBondContact O-CD 3.25Å; Q421-R429 PolarHBondContact O-NE 3.11Å; Q421-R429 VanDerWaalsContact O-NE 3.09Å; Q421-R429 PolarHBondContact O-NH1 3.42Å; Q421-Y430 WeakPolarHBondContact CB-OH 3.18Å; Q421-Y430 PolarHBondContact N-OH 2.82Å
422V89.3Confident89.9Confident32 Ų3266.8 Ų66.819%0.19434%0.343CS..  trans-86.4132.9175-67.50000110.3N224 K277 P420 D427 Y430N224-V422 WeakPolarHBondContact O-CG1 3.35Å; K277-V422 HydrophobicContact CB-CG2 4.08Å; P420-V422 HydrophobicContact CB-CG1 4.4Å; P420-V422 PolarHBondContact O-N 2.68Å; V422-D427 HydrophobicContact CB-CB 4.13Å; V422-D427 HydrophobicContact CG1-CB 4.37Å; V422-Y430 HydrophobicContact CG1-CD2 3.84Å; V422-Y430 HydrophobicContact CG1-CE2 3.72Å
423T86.5Confident89.2Confident118 Ų11871.4 Ų71.472%0.72437%0.365SS*.SBendtrans-92-17.6-179.8530000113.7D427T423-D427 PolarHBondContact N-OD2 2.76Å; T423-D427 PolarHBondContact OG1-OD2 2.77Å; T423-D427 VanDerWaalsContact OG1-OD2 3.12Å
424S84.1Confident88.4Confident50 Ų5071.8 Ų71.835%0.3537%0.369SS..SBendtrans-154.9167.7178.564.50000111.3N224 T426 D427N224-S424 PolarHBondContact ND2-O 2.92Å; S424-T426 PolarHBondContact O-N 2.94Å; S424-T426 PolarHBondContact OG-N 3.49Å; S424-T426 PolarHBondContact OG-OG1 2.9Å; S424-D427 VanDerWaalsContact O-CB 3.32Å; S424-D427 WeakPolarHBondContact O-CB 3.4Å; S424-D427 PolarHBondContact O-N 2.85Å; S424-D427 VanDerWaalsContact O-N 3.09Å; S424-D427 PolarHBondContact OG-N 3.46Å
425E79.1Confident87.7Confident107 Ų10772.1 Ų72.150%0.537%0.369SS..THydrogen-bonded Turntrans-65.8-12.4173.4-62.2-176.317600113.2Y168 Y222Y168-E425 HydrophobicContact CD2-CB 3.64Å; Y168-E425 WeakPolarHBondContact CD2-OE2 3.22Å; Y168-E425 HydrophobicContact CE2-CB 3.97Å; Y168-E425 HydrophobicContact CG-CB 4.32Å; Y222-E425 VanDerWaalsContact CE1-O 3.32Å; Y222-E425 WeakPolarHBondContact CE1-O 3.31Å
426T84Confident86.9Confident55 Ų5566.8 Ų66.834%0.33734%0.337SS..THydrogen-bonded Turntrans-102.1-1.717553.60000113.7L146 Y168 S424 T428L146-T426 HydrophobicContact CD1-CG2 4.34Å; Y168-T426 HydrophobicContact CD1-CG2 3.74Å; Y168-T426 HydrophobicContact CE1-CG2 3.07Å; Y168-T426 HydrophobicContact CE2-CG2 4.23Å; S424-T426 PolarHBondContact O-N 2.94Å; S424-T426 PolarHBondContact OG-N 3.49Å; S424-T426 PolarHBondContact OG-OG1 2.9Å; T426-T428 PolarHBondContact O-N 3Å
427D85.3Confident85.9Confident18 Ų1868.7 Ų68.710%0.09636%0.361CS..  trans-66.1118.5-179.9-167.8-20.6000109V422 T423 S424 R429V422-D427 HydrophobicContact CB-CB 4.13Å; V422-D427 HydrophobicContact CG1-CB 4.37Å; T423-D427 PolarHBondContact N-OD2 2.76Å; T423-D427 PolarHBondContact OG1-OD2 2.77Å; T423-D427 VanDerWaalsContact OG1-OD2 3.12Å; S424-D427 VanDerWaalsContact O-CB 3.32Å; S424-D427 WeakPolarHBondContact O-CB 3.4Å; S424-D427 PolarHBondContact O-N 2.85Å; S424-D427 VanDerWaalsContact O-N 3.09Å; S424-D427 PolarHBondContact OG-N 3.46Å; D427-R429 VanDerWaalsContact OD1-CB 3.28Å; D427-R429 WeakPolarHBondContact OD1-CB 3.21Å; D427-R429 WeakPolarHBondContact OD1-CG 3.44Å; D427-R429 PolarHBondContact OD1-N 3.5Å; D427-R429 IonicContact OD1-NE 3.26Å; D427-R429 PolarHBondContact OD1-NE 3.31Å; D427-R429 IonicContact OD2-CZ 2.76Å; D427-R429 VanDerWaalsContact OD2-CZ 3.26Å; D427-R429 IonicContact OD2-NE 3.87Å; D427-R429 PolarHBondContact OD2-NE 3.04Å; D427-R429 IonicContact OD2-NH2 3.71Å; D427-R429 PolarHBondContact OD2-NH2 2.73Å
428T84.1Confident85.2Confident13 Ų1369.4 Ų69.48%0.0836%0.359CS..  trans-113.120.8-176.545.80000112.1K147 L149 L159 T426 Y430 F431K147-T428 HydrophobicContact CB-CG2 4.37Å; K147-T428 HydrophobicContact CD-CG2 3.61Å; K147-T428 WeakPolarHBondContact CD-OG1 3.38Å; K147-T428 WeakPolarHBondContact CE-OG1 3.39Å; K147-T428 PolarHBondContact NZ-OG1 3.32Å; L149-T428 HydrophobicContact CD2-CG2 4.06Å; L159-T428 HydrophobicContact CD2-CG2 4.04Å; T426-T428 PolarHBondContact O-N 3Å; T428-Y430 PolarHBondContact O-N 2.98Å; T428-F431 HydrophobicContact CG2-CD2 4.15Å; T428-F431 PolarHBondContact O-N 2.83Å
429R87.4Confident84.4Confident119 Ų11974 Ų7445%0.44939%0.389SS..THydrogen-bonded Turntrans-57.3-20.6-179.969.5176.958.5-160.3-2.6115.4Q421 D427Q421-R429 VanDerWaalsContact O-CD 3.3Å; Q421-R429 WeakPolarHBondContact O-CD 3.25Å; Q421-R429 PolarHBondContact O-NE 3.11Å; Q421-R429 VanDerWaalsContact O-NE 3.09Å; Q421-R429 PolarHBondContact O-NH1 3.42Å; D427-R429 VanDerWaalsContact OD1-CB 3.28Å; D427-R429 WeakPolarHBondContact OD1-CB 3.21Å; D427-R429 WeakPolarHBondContact OD1-CG 3.44Å; D427-R429 PolarHBondContact OD1-N 3.5Å; D427-R429 IonicContact OD1-NE 3.26Å; D427-R429 PolarHBondContact OD1-NE 3.31Å; D427-R429 IonicContact OD2-CZ 2.76Å; D427-R429 VanDerWaalsContact OD2-CZ 3.26Å; D427-R429 IonicContact OD2-NE 3.87Å; D427-R429 PolarHBondContact OD2-NE 3.04Å; D427-R429 IonicContact OD2-NH2 3.71Å; D427-R429 PolarHBondContact OD2-NH2 2.73Å
430Y85.5Confident83.7Confident16 Ų1669.9 Ų69.96%0.06337%0.374CS..THydrogen-bonded Turntrans-100.412.2-179.6-60.1-61.3000112.8F230 H231 P420 Q421 V422 T428F230-Y430 HydrophobicContact CD1-CD1 4.1Å; F230-Y430 AromaticContact CE1-CD1 3.62Å; F230-Y430 HydrophobicContact CE1-CD1 3.62Å; F230-Y430 HydrophobicContact CE1-CE1 4.19Å; F230-Y430 HydrophobicContact CZ-CD1 4.38Å; H231-Y430 AromaticContact CE1-CD1 3.82Å; H231-Y430 AromaticContact CE1-CE1 3.77Å; P420-Y430 HydrophobicContact CB-CD2 4.47Å; P420-Y430 HydrophobicContact CB-CE2 3.79Å; Q421-Y430 WeakPolarHBondContact CB-OH 3.18Å; Q421-Y430 PolarHBondContact N-OH 2.82Å; V422-Y430 HydrophobicContact CG1-CD2 3.84Å; V422-Y430 HydrophobicContact CG1-CE2 3.72Å; T428-Y430 PolarHBondContact O-N 2.98Å
431F82.2Confident82.6Confident22 Ų2274.8 Ų74.810%0.09640%0.404CS..SBendtrans-110.8149.7173.1-66-93.7000109.6L149 Y222 M274 T428 E433 T436L149-F431 HydrophobicContact CB-CD1 4.05Å; L149-F431 HydrophobicContact CB-CE1 4.09Å; L149-F431 HydrophobicContact CD1-CE1 4.33Å; L149-F431 HydrophobicContact CD2-CD1 3.73Å; L149-F431 HydrophobicContact CD2-CD2 4.21Å; L149-F431 HydrophobicContact CD2-CE1 3.77Å; L149-F431 HydrophobicContact CD2-CE2 4.26Å; L149-F431 HydrophobicContact CD2-CG 3.96Å; L149-F431 HydrophobicContact CD2-CZ 4.05Å; L149-F431 HydrophobicContact CG-CD1 4.42Å; L149-F431 HydrophobicContact CG-CE1 4.27Å; Y222-F431 HydrophobicContact CE2-CE1 4.28Å; Y222-F431 AromaticContact CE2-CE2 3.95Å; Y222-F431 HydrophobicContact CE2-CE2 3.95Å; Y222-F431 AromaticContact CE2-CZ 3.46Å; Y222-F431 HydrophobicContact CE2-CZ 3.46Å; Y222-F431 VanDerWaalsContact CE2-CZ 3.46Å; Y222-F431 AromaticContact CZ-CE2 3.81Å; Y222-F431 AromaticContact CZ-CZ 3.83Å; Y222-F431 WeakPolarHBondContact OH-CE2 3.24Å; Y222-F431 WeakPolarHBondContact OH-CZ 3.45Å; M274-F431 HydrophobicContact CE-CE1 3.88Å; M274-F431 HydrophobicContact CE-CZ 3.88Å; T428-F431 HydrophobicContact CG2-CD2 4.15Å; T428-F431 PolarHBondContact O-N 2.83Å; F431-E433 PolarHBondContact O-N 2.65Å; F431-T436 HydrophobicContact CB-CG2 3.42Å; F431-T436 VanDerWaalsContact CB-CG2 3.42Å; F431-T436 HydrophobicContact CG-CG2 4.44Å
432D80.9Confident81.4Confident89 Ų8970 Ų7048%0.47638%0.382SS..  trans-60.5130.2-178-159.6-41000111.9E434 F435 T436D432-E434 PolarHBondContact O-N 3.37Å; D432-E434 WeakPolarHBondContact OD1-CB 3.41Å; D432-E434 PolarHBondContact OD1-N 3.01Å; D432-F435 HydrophobicContact CB-CD2 3.59Å; D432-F435 HydrophobicContact CB-CE2 3.86Å; D432-F435 PolarHBondContact O-N 3.49Å; D432-F435 VanDerWaalsContact O-N 3.09Å; D432-T436 WeakPolarHBondContact O-CG2 3.44Å; D432-T436 PolarHBondContact O-N 3.23Å; D432-T436 PolarHBondContact O-OG1 2.77Å
433E82.3Confident79.9Confident163 Ų16372.9 Ų72.976%0.76240%0.4SS*.Hα-helixtrans-62.3-27.5176.4-68.3-171.4173.600112.2F431 F435 T436 G437F431-E433 PolarHBondContact O-N 2.65Å; E433-F435 PolarHBondContact O-N 2.87Å; E433-T436 PolarHBondContact O-N 3.24Å; E433-G437 PolarHBondContact O-N 2.94Å
434E82.4Confident78.3Confident131 Ų13172 Ų7261%0.61240%0.396SS*.Hα-helixtrans-55.9-39.7173.1-173.1-174.6164.100110.9D432 Q438D432-E434 PolarHBondContact O-N 3.37Å; D432-E434 WeakPolarHBondContact OD1-CB 3.41Å; D432-E434 PolarHBondContact OD1-N 3.01Å; E434-Q438 VanDerWaalsContact O-CG 3.27Å; E434-Q438 WeakPolarHBondContact O-CG 3.18Å; E434-Q438 PolarHBondContact O-NE2 3.48Å
435F81.7Confident76.6Confident48 Ų4871.6 Ų71.621%0.21139%0.392CS..Hα-helixtrans-85.9-48.9177.4-55.5-53.5000111.1L148 K151 D432 E433 G437 Q438L148-F435 HydrophobicContact CD2-CB 4.28Å; L148-F435 HydrophobicContact CD2-CD1 4.5Å; L148-F435 HydrophobicContact CG-CB 4.26Å; L148-F435 CarbonylContact O-C 3.37Å; K151-F435 HydrophobicContact CB-CD1 4.38Å; K151-F435 HydrophobicContact CB-CE1 4.24Å; D432-F435 HydrophobicContact CB-CD2 3.59Å; D432-F435 HydrophobicContact CB-CE2 3.86Å; D432-F435 PolarHBondContact O-N 3.49Å; D432-F435 VanDerWaalsContact O-N 3.09Å; E433-F435 PolarHBondContact O-N 2.87Å; F435-G437 VanDerWaalsContact C-N 3.25Å; F435-G437 PolarHBondContact O-N 3.06Å; F435-Q438 WeakPolarHBondContact O-CB 3.38Å; F435-Q438 PolarHBondContact O-N 2.99Å
436T81.9Confident74.9Confident14 Ų1468.6 Ų68.69%0.08639%0.39CS..Hα-helixtrans-74.1-17.8-168.377.40000114K147 L148 F431 D432 E433K147-T436 HydrophobicContact CD-CG2 4.05Å; K147-T436 VanDerWaalsContact CE-CB 3.43Å; K147-T436 WeakPolarHBondContact CE-O 3.43Å; K147-T436 PolarHBondContact NZ-OG1 2.82Å; L148-T436 WeakPolarHBondContact O-CA 3.3Å; F431-T436 HydrophobicContact CB-CG2 3.42Å; F431-T436 VanDerWaalsContact CB-CG2 3.42Å; F431-T436 HydrophobicContact CG-CG2 4.44Å; D432-T436 WeakPolarHBondContact O-CG2 3.44Å; D432-T436 PolarHBondContact O-N 3.23Å; D432-T436 PolarHBondContact O-OG1 2.77Å; E433-T436 PolarHBondContact O-N 3.24Å
437G75.6Confident72.7Confident67 Ų6775.9 Ų75.969%0.69142%0.42SS*.THydrogen-bonded Turntrans-80.6-9.7170.800000114.7E433 F435E433-G437 PolarHBondContact O-N 2.94Å; F435-G437 VanDerWaalsContact C-N 3.25Å; F435-G437 PolarHBondContact O-N 3.06Å
438Q82.6Confident70.6Confident81 Ų8179.2 Ų79.238%0.37944%0.438SS..SBendtrans-76.8141.7-178.8-67.4179.135.500112.2L148 E434 F435L148-Q438 HydrophobicContact CD2-CB 4.11Å; L148-Q438 HydrophobicContact CD2-CG 4.49Å; E434-Q438 VanDerWaalsContact O-CG 3.27Å; E434-Q438 WeakPolarHBondContact O-CG 3.18Å; E434-Q438 PolarHBondContact O-NE2 3.48Å; F435-Q438 WeakPolarHBondContact O-CB 3.38Å; F435-Q438 PolarHBondContact O-N 2.99Å
439T78.9Confident68.5Low128 Ų12884.9 Ų84.979%0.78547%0.468SS*.  trans-70.1134.4170.4470000110.7T441T439-T441 PolarHBondContact O-N 3.48Å; T439-T441 VanDerWaalsContact O-N 3.16Å
440I78.9Confident66.5Low53 Ų5383.4 Ų83.427%0.27248%0.476SS..  trans-81.2101.8179.7-59171.3000109.1L146 I158 I442L146-I440 WeakPolarHBondContact O-CD1 3.35Å; I158-I440 HydrophobicContact CD1-CG2 4.09Å; I158-I440 HydrophobicContact CG2-CD1 3.92Å; I440-I442 HydrophobicContact CG2-CD1 4.09Å; I440-I442 HydrophobicContact CG2-CG1 3.88Å
441T70.5Confident64.7Low109 Ų10986.1 Ų86.167%0.66949%0.49SS*.  trans-99.4106.9166.2-46.10000108.9K156 T439K156-T441 PolarHBondContact NZ-O 3.12Å; T439-T441 PolarHBondContact O-N 3.48Å; T439-T441 VanDerWaalsContact O-N 3.16Å
442I66.3Low63.1Low36 Ų3691.5 Ų91.519%0.18552%0.516CS..  trans-96.5120166-65.2174.4000105.9M140 Y145 I158 I440 P444M140-I442 HydrophobicContact CE-CG2 4.45Å; Y145-I442 HydrophobicContact CD1-CD1 3.09Å; Y145-I442 HydrophobicContact CD2-CD1 3.63Å; Y145-I442 HydrophobicContact CE1-CD1 3.15Å; Y145-I442 HydrophobicContact CE2-CD1 3.73Å; Y145-I442 HydrophobicContact CG-CD1 3.33Å; Y145-I442 VanDerWaalsContact CZ-CD1 3.49Å; I158-I442 HydrophobicContact CD1-CD1 3.99Å; I158-I442 HydrophobicContact CD1-CG1 4.22Å; I440-I442 HydrophobicContact CG2-CD1 4.09Å; I440-I442 HydrophobicContact CG2-CG1 3.88Å; I442-P444 WeakPolarHBondContact O-CD 3.16Å
443T58.9Low61.5Low94 Ų9492.3 Ų92.358%0.57753%0.528SS*.  trans-55.2115.8165.9-44.80000105.9
444P52Low59.9Low99 Ų9990.6 Ų90.664%0.64352%0.519SS*.PPolyproline II helixtrans-51.8143.9176.4-21.831.7000108.2I442 G446I442-P444 WeakPolarHBondContact O-CD 3.16Å; P444-G446 PolarHBondContact O-N 2.96Å; P444-G446 VanDerWaalsContact O-N 3.1Å
445P48Very low58.7Low41 Ų4190 Ų9027%0.26652%0.519SS..PPolyproline II helixtrans-50126.3159.6-8.921.1000105.6Q447P445-Q447 PolarHBondContact O-N 3.37Å
446G42.8Very low58Low45 Ų4589.6 Ų89.646%0.46452%0.523SS..PPolyproline II helixtrans-50145.6174.500000108.7P444 D448P444-G446 PolarHBondContact O-N 2.96Å; P444-G446 VanDerWaalsContact O-N 3.1Å; G446-D448 PolarHBondContact O-N 3.47Å
447Q39.4Very low56.9Low207 Ų20797.7 Ų97.797%0.96756%0.559SS**SBendtrans-60.317.5-178-82.9-179.3-2900115P445P445-Q447 PolarHBondContact O-N 3.37Å
448D39.6Very low55.8Low89 Ų89103.7 Ų103.748%0.47656%0.561SS.*  trans-107.267.6178.9-138.8-7.7000109.4G446 S450 M451G446-D448 PolarHBondContact O-N 3.47Å; D448-S450 PolarHBondContact O-N 2.73Å; D448-S450 PolarHBondContact OD1-OG 2.97Å; D448-M451 PolarHBondContact O-N 3.23Å
449D41.4Very low55Low132 Ų132104.2 Ų104.271%0.70656%0.56SS**THydrogen-bonded Turntrans-60.95167.1-90.3-24.9000112.4
450S44.9Very low54.6Low88 Ų8899.7 Ų99.762%0.61553%0.533SS*.THydrogen-bonded Turntrans-87.5-7.7172.580.80000114.1D448 E452D448-S450 PolarHBondContact O-N 2.73Å; D448-S450 PolarHBondContact OD1-OG 2.97Å; S450-E452 PolarHBondContact O-N 3.5Å
451M48.3Very low54.4Low73 Ų73102.7 Ų102.736%0.3655%0.545SS..  trans-92.521.3-176.7-88.2-167.1178.900115.4D448 S453 F454D448-M451 PolarHBondContact O-N 3.23Å; M451-S453 PolarHBondContact O-N 2.98Å; M451-F454 HydrophobicContact CB-CB 4.33Å; M451-F454 HydrophobicContact CE-CD2 3.85Å; M451-F454 HydrophobicContact CE-CE2 3.77Å; M451-F454 HydrophobicContact CE-CG 4.49Å; M451-F454 HydrophobicContact CE-CZ 4.36Å; M451-F454 HydrophobicContact CG-CB 4.33Å; M451-F454 HydrophobicContact CG-CD2 3.94Å; M451-F454 HydrophobicContact CG-CG 4.4Å; M451-F454 PolarHBondContact O-N 3.13Å; M451-F454 HydrophobicContact SD-CB 4.46Å; M451-F454 HydrophobicContact SD-CD2 4.02Å; M451-F454 HydrophobicContact SD-CG 4.22Å
452E48.5Very low54.5Low134 Ų13497.8 Ų97.863%0.62652%0.515SS*.THydrogen-bonded Turntrans-60.7-13.8176.5-69.3-156.7148.300113.7K137 S450K137-E452 IonicContact NZ-OE1 2.79Å; K137-E452 PolarHBondContact NZ-OE1 3.42Å; K137-E452 IonicContact NZ-OE2 3.93Å; K137-E452 PolarHBondContact NZ-OE2 3.01Å; S450-E452 PolarHBondContact O-N 3.5Å
453S46.7Very low54.8Low106 Ų10699.7 Ų99.774%0.74153%0.529SS*.THydrogen-bonded Turntrans-108.913.8179.1670000115.1M451 D455M451-S453 PolarHBondContact O-N 2.98Å; S453-D455 PolarHBondContact O-N 3.29Å
454F49.6Very low55.4Low128 Ų12899.9 Ų99.956%0.56152%0.524SS*.  trans-80.384.8-178.7-136.2-89.7000111M451M451-F454 HydrophobicContact CB-CB 4.33Å; M451-F454 HydrophobicContact CE-CD2 3.85Å; M451-F454 HydrophobicContact CE-CE2 3.77Å; M451-F454 HydrophobicContact CE-CG 4.49Å; M451-F454 HydrophobicContact CE-CZ 4.36Å; M451-F454 HydrophobicContact CG-CB 4.33Å; M451-F454 HydrophobicContact CG-CD2 3.94Å; M451-F454 HydrophobicContact CG-CG 4.4Å; M451-F454 PolarHBondContact O-N 3.13Å; M451-F454 HydrophobicContact SD-CB 4.46Å; M451-F454 HydrophobicContact SD-CD2 4.02Å; M451-F454 HydrophobicContact SD-CG 4.22Å
455D57.2Low56.4Low117 Ų11795.5 Ų95.563%0.62649%0.494SS*.  trans-83.1119.5171.9-161.624.6000109.4S453 P460 H461S453-D455 PolarHBondContact O-N 3.29Å; D455-P460 WeakPolarHBondContact OD1-CA 3.4Å; D455-H461 PolarHBondContact OD1-N 3.18Å; D455-H461 VanDerWaalsContact OD1-N 3.15Å
456S66.2Low57.9Low40 Ų4098.7 Ų98.728%0.2852%0.518SS..BIsolated β-bridgetrans-141.3152176.566.90000109.9R458 R459 P460S456-R458 PolarHBondContact O-N 3.34Å; S456-R459 CarbonylContact O-C 3.5Å; S456-R459 PolarHBondContact O-N 2.9Å; S456-R459 WeakPolarHBondContact OG-CB 3.23Å; S456-R459 PolarHBondContact OG-N 2.89Å; S456-P460 VanDerWaalsContact O-N 3.1Å
457E59.2Low59.6Low184 Ų18499.8 Ų99.886%0.8651%0.509SS*.THydrogen-bonded Turntrans-52.6-30.6-178.4-66.9-175.3163.300113.5
458R52.2Low61.5Low193 Ų19392.2 Ų92.273%0.72848%0.478SS*.THydrogen-bonded Turntrans-92.2-19.4179.3-62.6-177.2-177-177.21114E177 S456E177-R458 WeakPolarHBondContact CA-O 3.45Å; E177-R458 HydrophobicContact CG-CB 4.49Å; S456-R458 PolarHBondContact O-N 3.34Å
459R66.3Low63.1Low92 Ų9288.9 Ų88.935%0.34746%0.463SS..BIsolated β-bridgetrans-135.867.1179.4-58.5178.2-173.4176.5-0.1109.6E177 S456E177-R459 HydrophobicContact CG-CG 3.9Å; E177-R459 IonicContact OE1-CZ 3.24Å; E177-R459 IonicContact OE1-NE 3.16Å; E177-R459 PolarHBondContact OE1-NE 3.03Å; E177-R459 IonicContact OE1-NH2 3.58Å; E177-R459 PolarHBondContact OE1-NH2 3.27Å; S456-R459 CarbonylContact O-C 3.5Å; S456-R459 PolarHBondContact O-N 2.9Å; S456-R459 WeakPolarHBondContact OG-CB 3.23Å; S456-R459 PolarHBondContact OG-N 2.89Å
460P69.8Low64Low33 Ų3387 Ų8721%0.21446%0.461CS..PPolyproline II helixtrans-69.7155.9-177.826.2-31.6000110.8K176 V180 D455 S456 F462K176-P460 PolarHBondContact NZ-O 3.39Å; V180-P460 HydrophobicContact CG2-CG 3.97Å; D455-P460 WeakPolarHBondContact OD1-CA 3.4Å; S456-P460 VanDerWaalsContact O-N 3.1Å; P460-F462 HydrophobicContact CG-CD2 4.26Å; P460-F462 HydrophobicContact CG-CE2 3.64Å; P460-F462 HydrophobicContact CG-CZ 4.11Å; P460-F462 WeakPolarHBondContact O-CD2 3.36Å; P460-F462 PolarHBondContact O-N 2.86Å
461H75.6Confident63.9Low117 Ų11785.7 Ų85.754%0.54246%0.461SS..PPolyproline II helixtrans-76.6116.6164.9-178.8-81.5000109.6Q211 D455Q211-H461 PolarHBondContact NE2-CE1 2.8Å; Q211-H461 PolarHBondContact NE2-NE2 2.67Å; Q211-H461 VanDerWaalsContact NE2-NE2 3.17Å; D455-H461 PolarHBondContact OD1-N 3.18Å; D455-H461 VanDerWaalsContact OD1-N 3.15Å
462F71.2Confident63Low5 Ų586.9 Ų86.92%0.02247%0.472CS..PPolyproline II helixtrans-84.9131.6-178.6-76.3-108.7000110.6K176 I179 V185 L189 Q211 L216 P460 F465K176-F462 HydrophobicContact CB-CE2 4.36Å; K176-F462 HydrophobicContact CD-CD2 4.27Å; K176-F462 HydrophobicContact CD-CE2 4.17Å; K176-F462 HydrophobicContact CG-CD2 4.35Å; K176-F462 HydrophobicContact CG-CE2 3.92Å; I179-F462 HydrophobicContact CG2-CZ 4.28Å; V185-F462 HydrophobicContact CB-CE1 4.35Å; V185-F462 HydrophobicContact CG1-CE1 3.83Å; V185-F462 HydrophobicContact CG2-CE1 4.21Å; V185-F462 HydrophobicContact CG2-CZ 4.18Å; L189-F462 HydrophobicContact CD2-CD1 4.03Å; L189-F462 HydrophobicContact CG-CD1 4.24Å; Q211-F462 PolarHBondContact NE2-O 3.23Å; L216-F462 HydrophobicContact CD1-CD1 3.9Å; L216-F462 HydrophobicContact CD1-CD2 4.01Å; L216-F462 HydrophobicContact CD1-CE1 3.98Å; L216-F462 HydrophobicContact CD1-CE2 4.09Å; L216-F462 HydrophobicContact CD1-CG 3.92Å; L216-F462 HydrophobicContact CD1-CZ 4.09Å; L216-F462 HydrophobicContact CD2-CB 3.97Å; L216-F462 HydrophobicContact CD2-CD2 3.83Å; L216-F462 HydrophobicContact CD2-CG 3.94Å; L216-F462 HydrophobicContact CG-CD2 4.33Å; P460-F462 HydrophobicContact CG-CD2 4.26Å; P460-F462 HydrophobicContact CG-CE2 3.64Å; P460-F462 HydrophobicContact CG-CZ 4.11Å; P460-F462 WeakPolarHBondContact O-CD2 3.36Å; P460-F462 PolarHBondContact O-N 2.86Å; F462-F465 HydrophobicContact CB-CD2 3.57Å; F462-F465 HydrophobicContact CB-CE2 3.91Å; F462-F465 HydrophobicContact CB-CG 4.46Å; F462-F465 HydrophobicContact CD1-CE2 4.4Å; F462-F465 HydrophobicContact CG-CE2 4.46Å
463P73.4Confident62.1Low76 Ų7688.2 Ų88.249%0.49451%0.506SS..THydrogen-bonded Turntrans-66.8155.2174.128.3-34.3000111.3L189 F465L189-P463 HydrophobicContact CD2-CG 4.19Å; P463-F465 VanDerWaalsContact C-N 3.29Å; P463-F465 WeakPolarHBondContact O-CD2 3.47Å; P463-F465 PolarHBondContact O-N 3.42Å
464Q71.4Confident62.9Low98 Ų9887.3 Ų87.346%0.45850%0.495SS..THydrogen-bonded Turntrans66.913.9174.5-55.4174.5-21.700116.5N192 Q196 S466N192-Q464 PolarHBondContact ND2-O 3.07Å; Q196-Q464 PolarHBondContact NE2-O 3.36Å; Q464-S466 PolarHBondContact O-N 3.19Å
465F73.6Confident63.6Low7 Ų785.2 Ų85.23%0.03149%0.491CS..  trans-96.759.4171.7-80.6-93.2000111.8T188 L189 N192 S209 F210 Q211 L216 F218 F462 P463T188-F465 HydrophobicContact CG2-CZ 4.09Å; L189-F465 HydrophobicContact CD2-CE2 4.09Å; N192-F465 HydrophobicContact CB-CE2 4.27Å; N192-F465 HydrophobicContact CB-CZ 4.01Å; S209-F465 CarbonylContact O-C 3.48Å; S209-F465 VanDerWaalsContact O-C 3.3Å; F210-F465 WeakPolarHBondContact CA-O 3.35Å; Q211-F465 HydrophobicContact CB-CB 4.07Å; Q211-F465 HydrophobicContact CG-CB 4.14Å; L216-F465 HydrophobicContact CB-CD1 4.3Å; L216-F465 HydrophobicContact CB-CE1 3.82Å; L216-F465 HydrophobicContact CB-CZ 4.25Å; L216-F465 HydrophobicContact CD1-CE1 4.18Å; L216-F465 HydrophobicContact CD1-CE2 4.08Å; L216-F465 HydrophobicContact CD1-CZ 3.75Å; L216-F465 HydrophobicContact CD2-CD1 3.93Å; L216-F465 HydrophobicContact CD2-CD2 4.13Å; L216-F465 HydrophobicContact CD2-CE1 4.03Å; L216-F465 HydrophobicContact CD2-CE2 4.21Å; L216-F465 HydrophobicContact CD2-CG 3.98Å; L216-F465 HydrophobicContact CD2-CZ 4.17Å; L216-F465 HydrophobicContact CG-CE1 4.23Å; L216-F465 HydrophobicContact CG-CZ 4.28Å; F218-F465 HydrophobicContact CD1-CE1 4.41Å; F218-F465 AromaticContact CE1-CE1 3.69Å; F218-F465 HydrophobicContact CE1-CE1 3.69Å; F218-F465 AromaticContact CE1-CZ 3.94Å; F218-F465 HydrophobicContact CE1-CZ 3.94Å; F218-F465 AromaticContact CE2-CE1 3.87Å; F218-F465 HydrophobicContact CE2-CE1 3.87Å; F218-F465 HydrophobicContact CE2-CZ 4.17Å; F218-F465 AromaticContact CZ-CE1 3.41Å; F218-F465 HydrophobicContact CZ-CE1 3.41Å; F218-F465 VanDerWaalsContact CZ-CE1 3.41Å; F218-F465 AromaticContact CZ-CZ 3.45Å; F218-F465 HydrophobicContact CZ-CZ 3.45Å; F218-F465 VanDerWaalsContact CZ-CZ 3.45Å; F462-F465 HydrophobicContact CB-CD2 3.57Å; F462-F465 HydrophobicContact CB-CE2 3.91Å; F462-F465 HydrophobicContact CB-CG 4.46Å; F462-F465 HydrophobicContact CD1-CE2 4.4Å; F462-F465 HydrophobicContact CG-CE2 4.46Å; P463-F465 VanDerWaalsContact C-N 3.29Å; P463-F465 WeakPolarHBondContact O-CD2 3.47Å; P463-F465 PolarHBondContact O-N 3.42Å
466S78.5Confident63.9Low109 Ų10983.4 Ų83.476%0.76248%0.484SS*.EExtended strand (participates in β ladder)trans-147.628.8175.153.30000111.3S209 Q464S209-S466 CarbonylContact O-C 3.6Å; S209-S466 WeakPolarHBondContact O-CA 3.49Å; S209-S466 PolarHBondContact O-N 3.17Å; Q464-S466 PolarHBondContact O-N 3.19Å
467Y78.9Confident63.8Low67 Ų6785.9 Ų85.926%0.26350%0.496SS..EExtended strand (participates in β ladder)trans-83.5139.1-173.6178.4-96.7000112.1Q196 L206 Y208 S209 A469Q196-Y467 HydrophobicContact CB-CD2 4.23Å; Q196-Y467 HydrophobicContact CB-CE2 4.08Å; Q196-Y467 HydrophobicContact CG-CD1 3.97Å; Q196-Y467 HydrophobicContact CG-CD2 3.59Å; Q196-Y467 HydrophobicContact CG-CE1 4.25Å; Q196-Y467 HydrophobicContact CG-CE2 3.88Å; Q196-Y467 HydrophobicContact CG-CG 3.63Å; L206-Y467 HydrophobicContact CD2-CD1 3.91Å; L206-Y467 HydrophobicContact CD2-CE1 4.18Å; L206-Y467 HydrophobicContact CG-CD1 4.27Å; L206-Y467 HydrophobicContact CG-CE1 4.33Å; Y208-Y467 WeakPolarHBondContact CA-O 3.35Å; S209-Y467 PolarHBondContact N-O 2.77Å; S209-Y467 PolarHBondContact O-N 3.37Å; S209-Y467 WeakPolarHBondContact OG-CB 3.46Å; Y467-A469 HydrophobicContact CE1-CB 3.81Å
468S78.9Confident64.1Low48 Ų4879.8 Ų79.834%0.33647%0.473SS..EExtended strand (participates in β ladder)trans-138.3118.1168.5177.40000108.6Y208 S470Y208-S468 WeakPolarHBondContact CE1-OG 3.28Å; S468-S470 PolarHBondContact O-N 2.71Å
469A73.4Confident64.9Low19 Ų1972.3 Ų72.316%0.15746%0.456CS..PPolyproline II helixtrans-64.9120.7177.900000109.3K207 Y467 G471K207-A469 HydrophobicContact CD-CB 4.34Å; K207-A469 PolarHBondContact NZ-O 2.77Å; K207-A469 PolarHBondContact O-N 3.23Å; Y467-A469 HydrophobicContact CE1-CB 3.81Å; A469-G471 PolarHBondContact O-N 3.26Å; A469-G471 VanDerWaalsContact O-N 3.1Å
470S60.6Low64.8Low93 Ų9370.9 Ų70.965%0.6546%0.464SS*.PPolyproline II helixtrans-53.8117.9175-54.80000108.3S468 T472S468-S470 PolarHBondContact O-N 2.71Å; S470-T472 PolarHBondContact O-N 2.61Å
471G42.1Very low64.4Low61 Ų6173.8 Ų73.863%0.62948%0.483SS*.PPolyproline II helixtrans-55.7124.9-171.200000111.8A469 A473A469-G471 PolarHBondContact O-N 3.26Å; A469-G471 VanDerWaalsContact O-N 3.1Å; G471-A473 PolarHBondContact O-N 2.82Å
472T29.7Very low63.4Low97 Ų9770.2 Ų70.260%0.59548%0.478SS*.PPolyproline II helixtrans-70.4116.7150.745.60000106.4S470S470-T472 PolarHBondContact O-N 2.61Å
473A29.6Very low62.7Low162 Ų16276.1 Ų76.1100%1.33952%0.519SS*.  trans-53.20162.100000110.2G471G471-A473 PolarHBondContact O-N 2.82Å

Retrieved 473 of 473 residues in 1180.2 ms (Link to these results)

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