A0A2K5ZYC5_MANLE Loading...

Diphthine--ammonia ligase

Amidase that catalyzes the last step of diphthamide biosynthesis using ammonium and ATP.

AlphaFold DB , UniProt , Accession A0A2K5ZYC5, Species MANLE (Mandrillus leucophaeus, Drill), Gene DPH6, Length 267 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
1M97.4Very high96Very high77 Ų7721 Ų2138%0.37910%0.101SC..  0146.60-72.9-174.7-6600109.7V3 Q26 E110 Q136 L138M1-V3 HydrophobicContact CB-CG2 4.14Å; M1-Q26 PolarHBondContact O-N 2.91Å; M1-Q26 VanDerWaalsContact O-N 3.1Å; M1-E110 WeakPolarHBondContact CA-OE2 3.44Å; M1-E110 HydrophobicContact CB-CB 4.06Å; M1-E110 HydrophobicContact CG-CB 3.98Å; M1-E110 HydrophobicContact SD-CB 4.05Å; M1-Q136 HydrophobicContact CE-CB 4.23Å; M1-Q136 HydrophobicContact CE-CG 4.1Å; M1-Q136 HydrophobicContact SD-CB 4.16Å; M1-L138 HydrophobicContact CE-CD1 4.26Å; M1-L138 HydrophobicContact CE-CD2 4.04Å
2R98.4Very high96.1Very high83 Ų8321.4 Ų21.431%0.31310%0.104SC..EExtended strand (participates in β ladder)trans-77.9126.6162.8-66.7174.761.279.50.2108.8V28 E107 E110 G111R2-V28 HydrophobicContact CB-CG1 4.33Å; R2-V28 HydrophobicContact CB-CG2 4.22Å; R2-V28 HydrophobicContact CG-CG1 4.36Å; R2-E107 VanDerWaalsContact CZ-O 3.31Å; R2-E107 PolarHBondContact NE-O 3.27Å; R2-E107 PolarHBondContact NH2-O 3.01Å; R2-E107 IonicContact NH2-OE2 2.77Å; R2-E110 PolarHBondContact N-OE2 3.1Å; R2-E110 PolarHBondContact O-N 3.49Å; R2-G111 PolarHBondContact O-N 3.33Å
3V98.8Very high96Very high0 Ų020.3 Ų20.30%010%0.1CC..EExtended strand (participates in β ladder)trans-126132-170.6174.90000110.3M1 H25 Q26 I27 V28 G111 L138M1-V3 HydrophobicContact CB-CG2 4.14Å; V3-H25 HydrophobicContact CG2-CB 3.84Å; V3-Q26 PolarHBondContact N-O 3.46Å; V3-I27 HydrophobicContact CB-CD1 4.05Å; V3-I27 HydrophobicContact CG1-CD1 3.78Å; V3-I27 WeakPolarHBondContact O-CA 3.5Å; V3-V28 PolarHBondContact O-N 2.83Å; V3-G111 VanDerWaalsContact CA-O 3.29Å; V3-G111 WeakPolarHBondContact CA-O 3.11Å; V3-L138 HydrophobicContact CG1-CD1 4.06Å; V3-L138 HydrophobicContact CG2-CD1 3.6Å
4A98.7Very high96.1Very high0 Ų018.9 Ų18.90%09%0.093CC..EExtended strand (participates in β ladder)trans-92.4142.7163.800000109.7A29 V103 V109 G111 I112 S113A4-A29 CarbonylContact C-O 3.59Å; A4-A29 VanDerWaalsContact CA-O 3.31Å; A4-A29 WeakPolarHBondContact CA-O 3.37Å; A4-A29 HydrophobicContact CB-CB 4.36Å; A4-V103 HydrophobicContact CB-CG1 3.5Å; A4-V103 VanDerWaalsContact CB-CG1 3.5Å; A4-V109 HydrophobicContact CB-CB 4.49Å; A4-V109 HydrophobicContact CB-CG1 4.02Å; A4-V109 HydrophobicContact CB-CG2 4.23Å; A4-G111 PolarHBondContact N-O 3.43Å; A4-G111 VanDerWaalsContact N-O 3.09Å; A4-I112 HydrophobicContact CB-CD1 3.93Å; A4-I112 CarbonylContact O-C 3.55Å; A4-I112 VanDerWaalsContact O-CA 3.3Å; A4-I112 WeakPolarHBondContact O-CA 3.35Å; A4-S113 PolarHBondContact O-N 2.78Å
5A98.4Very high96.3Very high0 Ų018.1 Ų18.10%09%0.089CC..EExtended strand (participates in β ladder)trans-100.8125176.700000111.6I7 M17 I27 A29 L30 A31A5-I7 HydrophobicContact CB-CG2 3.98Å; A5-I7 PolarHBondContact O-N 3.35Å; A5-M17 HydrophobicContact CB-CG 3.47Å; A5-M17 VanDerWaalsContact CB-CG 3.47Å; A5-M17 HydrophobicContact CB-SD 3.31Å; A5-M17 WeakPolarHBondContact CB-SD 3.43Å; A5-I27 HydrophobicContact CB-CG2 4.2Å; A5-A29 PolarHBondContact N-O 3Å; A5-L30 HydrophobicContact CB-CD2 4.07Å; A5-A31 PolarHBondContact O-N 3.26Å
6L97.6Very high96.4Very high28 Ų2817 Ų1715%0.1478%0.083CC..EExtended strand (participates in β ladder)trans-74.9115.8164.5-74.1173.9000108.5A31 L96 L100 I112 S113 V114 V126L6-A31 WeakPolarHBondContact CA-O 3.22Å; L6-A31 HydrophobicContact CD2-CB 3.91Å; L6-L96 HydrophobicContact CD1-CD1 4.03Å; L6-L96 HydrophobicContact CD2-CD1 3.64Å; L6-L100 HydrophobicContact CD1-CD1 4.46Å; L6-L100 HydrophobicContact CD2-CD2 3.87Å; L6-L100 HydrophobicContact CG-CD2 4.37Å; L6-I112 HydrophobicContact CD1-CG2 3.64Å; L6-I112 HydrophobicContact CG-CG2 3.66Å; L6-S113 PolarHBondContact N-O 3.35Å; L6-V114 HydrophobicContact CD1-CG2 4.43Å; L6-V126 HydrophobicContact CD1-CG1 3.96Å; L6-V126 HydrophobicContact CD1-CG2 4.18Å
7I95.9Very high96.5Very high9 Ų916 Ų165%0.0468%0.078CC..  trans-119.1145.6-175.563.5163.8000112.3A5 M17 L30 A31 N32 I58 Y61 L69A5-I7 HydrophobicContact CB-CG2 3.98Å; A5-I7 PolarHBondContact O-N 3.35Å; I7-M17 HydrophobicContact CG2-CE 4.11Å; I7-M17 HydrophobicContact CG2-SD 4.21Å; I7-L30 HydrophobicContact CD1-CB 3.85Å; I7-L30 HydrophobicContact CD1-CD1 3.98Å; I7-L30 HydrophobicContact CD1-CD2 4.38Å; I7-L30 HydrophobicContact CD1-CG 4.28Å; I7-L30 HydrophobicContact CG1-CB 4.32Å; I7-L30 HydrophobicContact CG2-CD2 4.03Å; I7-A31 PolarHBondContact N-O 3.44Å; I7-N32 HydrophobicContact CG1-CB 4.19Å; I7-N32 PolarHBondContact O-ND2 3.23Å; I7-I58 HydrophobicContact CD1-CG2 3.87Å; I7-Y61 HydrophobicContact CD1-CD1 3.93Å; I7-Y61 HydrophobicContact CD1-CE1 4.25Å; I7-L69 HydrophobicContact CD1-CD1 4.2Å
8S90.3Very high96.6Very high30 Ų3016.9 Ų16.921%0.218%0.083CC..  trans-116.9-5.6169.8620000113G10 Q51 I58S8-G10 VanDerWaalsContact C-N 3.27Å; S8-G10 PolarHBondContact OG-N 3.17Å; S8-Q51 PolarHBondContact OG-OE1 3.01Å; S8-I58 VanDerWaalsContact C-CD1 3.48Å; S8-I58 WeakPolarHBondContact O-CD1 3.38Å
9G89.4Confident96.7Very high0 Ų018.5 Ų18.50%09%0.09CC..SBendtrans87.9-15-169.200000113.6F208 T209G9-F208 WeakPolarHBondContact O-CA 3.42Å; G9-T209 PolarHBondContact O-N 2.74Å; G9-T209 PolarHBondContact O-OG1 3.32Å
10G94.6Very high96.8Very high0 Ų017.6 Ų17.60%09%0.086CC..SBendtrans-81169.7-17800000115.5S8 D12 S13 C14 T207S8-G10 VanDerWaalsContact C-N 3.27Å; S8-G10 PolarHBondContact OG-N 3.17Å; G10-D12 VanDerWaalsContact C-N 3.28Å; G10-D12 PolarHBondContact O-N 3.45Å; G10-S13 PolarHBondContact O-N 3.03Å; G10-S13 PolarHBondContact O-OG 3.36Å; G10-C14 PolarHBondContact O-N 3.01Å; G10-T207 WeakPolarHBondContact CA-O 3.38Å
11K96.4Very high96.9Very high4 Ų420.5 Ų20.52%0.01710%0.101CC..Hα-helixtrans-55-38.1-175.274.7-167.9-172.9-47.40113.6C14 Y15 M153 I158 A160 L180 C199 T207K11-C14 WeakPolarHBondContact O-CB 3.3Å; K11-C14 PolarHBondContact O-N 2.94Å; K11-Y15 WeakPolarHBondContact O-CB 3.41Å; K11-Y15 PolarHBondContact O-N 3.09Å; K11-M153 HydrophobicContact CB-SD 4.09Å; K11-M153 HydrophobicContact CD-SD 3.89Å; K11-M153 HydrophobicContact CG-CE 4.43Å; K11-M153 HydrophobicContact CG-SD 3.73Å; K11-I158 HydrophobicContact CB-CG2 4.36Å; K11-A160 HydrophobicContact CB-CB 4.02Å; K11-L180 HydrophobicContact CB-CD1 3.97Å; K11-L180 HydrophobicContact CD-CD1 3.89Å; K11-L180 HydrophobicContact CD-CD2 3.9Å; K11-L180 HydrophobicContact CG-CD1 4.49Å; K11-C199 WeakPolarHBondContact CE-O 3.49Å; K11-C199 PolarHBondContact NZ-O 2.73Å; K11-T207 HydrophobicContact CD-CG2 4.19Å; K11-T207 PolarHBondContact N-OG1 2.88Å
12D97.1Very high96.9Very high26 Ų2620.7 Ų20.714%0.13911%0.114CC..Hα-helixtrans-74-42.6-169.6-46.3-54.7000111.3G10 C14 Y15 N16 G115 I117 L141 M153G10-D12 VanDerWaalsContact C-N 3.28Å; G10-D12 PolarHBondContact O-N 3.45Å; D12-C14 VanDerWaalsContact C-N 3.29Å; D12-C14 PolarHBondContact O-N 3.36Å; D12-Y15 PolarHBondContact O-N 3.35Å; D12-N16 WeakPolarHBondContact O-CB 3.48Å; D12-N16 PolarHBondContact O-N 3.23Å; D12-G115 WeakPolarHBondContact CB-O 3.47Å; D12-I117 HydrophobicContact CB-CD1 4.41Å; D12-I117 VanDerWaalsContact OD1-CD1 3.3Å; D12-I117 WeakPolarHBondContact OD1-CD1 3.24Å; D12-L141 HydrophobicContact CB-CD1 4.23Å; D12-L141 WeakPolarHBondContact O-CD1 3.39Å; D12-M153 WeakPolarHBondContact OD1-CE 3.34Å
13S95.8Very high96.9Very high7 Ų719 Ų195%0.04912%0.118CC..Hα-helixtrans-61.1-40.6173.768.40000111.3G10 M17G10-S13 PolarHBondContact O-N 3.03Å; G10-S13 PolarHBondContact O-OG 3.36Å; S13-M17 WeakPolarHBondContact O-CG 3.28Å; S13-M17 PolarHBondContact O-N 2.88Å
14C96.9Very high96.9Very high0 Ų022 Ų220%015%0.149CC..Hα-helixtrans-63.2-49.9176-173.90000112.1G10 K11 D12 N16 M17 M18 Y61 I158 T209 C212G10-C14 PolarHBondContact O-N 3.01Å; K11-C14 WeakPolarHBondContact O-CB 3.3Å; K11-C14 PolarHBondContact O-N 2.94Å; D12-C14 VanDerWaalsContact C-N 3.29Å; D12-C14 PolarHBondContact O-N 3.36Å; C14-N16 PolarHBondContact O-N 2.8Å; C14-M17 WeakPolarHBondContact O-CB 3.26Å; C14-M17 PolarHBondContact O-N 3.3Å; C14-M18 PolarHBondContact O-N 3.01Å; C14-Y61 WeakPolarHBondContact CB-OH 3.27Å; C14-I158 HydrophobicContact CB-CD1 4.42Å; C14-T209 HydrophobicContact CB-CG2 4.35Å; C14-C212 VanDerWaalsContact SG-CB 3.53Å; C14-C212 PolarHBondContact SG-SG 3.2Å
15Y98.4Very high96.9Very high8 Ų823.6 Ų23.63%0.03116%0.157CC..Hα-helixtrans-66.2-40.2-177.6-168.7-128.9000112K11 D12 M17 M18 Q19 L141 L149 E152 M153 I158K11-Y15 WeakPolarHBondContact O-CB 3.41Å; K11-Y15 PolarHBondContact O-N 3.09Å; D12-Y15 PolarHBondContact O-N 3.35Å; Y15-M17 VanDerWaalsContact C-N 3.28Å; Y15-M17 PolarHBondContact O-N 3.29Å; Y15-M18 HydrophobicContact CD2-SD 4.47Å; Y15-M18 WeakPolarHBondContact O-CA 3.46Å; Y15-M18 WeakPolarHBondContact O-CB 3.31Å; Y15-M18 PolarHBondContact O-N 2.8Å; Y15-Q19 HydrophobicContact CE1-CG 4.38Å; Y15-Q19 VanDerWaalsContact CE2-NE2 3.31Å; Y15-Q19 WeakPolarHBondContact O-CG 3.44Å; Y15-Q19 PolarHBondContact O-N 2.62Å; Y15-Q19 PolarHBondContact OH-NE2 3.42Å; Y15-L141 HydrophobicContact CD1-CD1 4.09Å; Y15-L141 HydrophobicContact CD1-CD2 3.41Å; Y15-L141 VanDerWaalsContact CD1-CD2 3.41Å; Y15-L141 HydrophobicContact CD1-CG 4.41Å; Y15-L141 HydrophobicContact CE1-CD2 3.76Å; Y15-L141 HydrophobicContact CG-CD2 4.41Å; Y15-L149 HydrophobicContact CD1-CD2 4.18Å; Y15-L149 HydrophobicContact CE1-CD2 3.73Å; Y15-E152 HydrophobicContact CE1-CB 4.29Å; Y15-E152 HydrophobicContact CE2-CB 4.46Å; Y15-E152 VanDerWaalsContact OH-CB 3.27Å; Y15-E152 WeakPolarHBondContact OH-CB 3.45Å; Y15-E152 PolarHBondContact OH-OE2 3.45Å; Y15-M153 HydrophobicContact CD1-CE 3.7Å; Y15-M153 HydrophobicContact CD1-CG 3.74Å; Y15-M153 HydrophobicContact CD2-CG 4.03Å; Y15-M153 HydrophobicContact CE1-CG 4.33Å; Y15-M153 HydrophobicContact CG-CE 4.11Å; Y15-M153 HydrophobicContact CG-CG 3.59Å; Y15-I158 HydrophobicContact CD2-CD1 3.66Å; Y15-I158 HydrophobicContact CG-CD1 3.97Å
16N98.4Very high96.9Very high0 Ų029.3 Ų29.30%018%0.183CC..Hα-helixtrans-65.5-31.5177.5-165.673000112.6D12 C14 Q19 C20 S113 V114 L138 Y140 L141D12-N16 WeakPolarHBondContact O-CB 3.48Å; D12-N16 PolarHBondContact O-N 3.23Å; C14-N16 PolarHBondContact O-N 2.8Å; N16-Q19 PolarHBondContact O-N 2.72Å; N16-C20 PolarHBondContact O-N 2.84Å; N16-C20 PolarHBondContact O-SG 2.95Å; N16-S113 PolarHBondContact ND2-OG 2.77Å; N16-V114 PolarHBondContact ND2-N 2.82Å; N16-V114 PolarHBondContact ND2-O 3.26Å; N16-V114 VanDerWaalsContact ND2-O 3.08Å; N16-V114 PolarHBondContact OD1-O 2.85Å; N16-L138 PolarHBondContact ND2-O 2.93Å; N16-Y140 WeakPolarHBondContact OD1-CB 3.45Å; N16-Y140 PolarHBondContact OD1-N 3.02Å; N16-L141 HydrophobicContact CB-CD1 3.99Å; N16-L141 HydrophobicContact CB-CG 3.98Å
17M98.3Very high97Very high0 Ų028.7 Ų28.70%018%0.18CC..Hα-helixtrans-62.8-41.7169.4-73.9-172.4-69.100112A5 I7 S13 C14 Y15 Q19 C20 I21 I27 L30 Y61 M65 L214A5-M17 HydrophobicContact CB-CG 3.47Å; A5-M17 VanDerWaalsContact CB-CG 3.47Å; A5-M17 HydrophobicContact CB-SD 3.31Å; A5-M17 WeakPolarHBondContact CB-SD 3.43Å; I7-M17 HydrophobicContact CG2-CE 4.11Å; I7-M17 HydrophobicContact CG2-SD 4.21Å; S13-M17 WeakPolarHBondContact O-CG 3.28Å; S13-M17 PolarHBondContact O-N 2.88Å; C14-M17 WeakPolarHBondContact O-CB 3.26Å; C14-M17 PolarHBondContact O-N 3.3Å; Y15-M17 VanDerWaalsContact C-N 3.28Å; Y15-M17 PolarHBondContact O-N 3.29Å; M17-Q19 VanDerWaalsContact C-N 3.31Å; M17-Q19 PolarHBondContact O-N 2.87Å; M17-C20 WeakPolarHBondContact O-CB 3.27Å; M17-C20 PolarHBondContact O-N 3Å; M17-I21 PolarHBondContact O-N 2.67Å; M17-I27 HydrophobicContact CB-CD1 4.43Å; M17-I27 HydrophobicContact CB-CG1 4.27Å; M17-I27 HydrophobicContact CG-CD1 4.26Å; M17-I27 HydrophobicContact CG-CG1 4.35Å; M17-I27 HydrophobicContact SD-CG2 4.2Å; M17-L30 HydrophobicContact SD-CD2 3.95Å; M17-Y61 HydrophobicContact CE-CE1 4.1Å; M17-Y61 WeakPolarHBondContact CE-OH 3.38Å; M17-M65 HydrophobicContact CE-CE 3.95Å; M17-M65 HydrophobicContact CE-SD 3.88Å; M17-M65 HydrophobicContact SD-CE 3.84Å; M17-M65 HydrophobicContact SD-SD 4.24Å; M17-L214 HydrophobicContact CB-CD1 3.6Å; M17-L214 HydrophobicContact CE-CD1 4.48Å
18M98.4Very high97.1Very high32 Ų3228.9 Ų28.916%0.15818%0.182CC..Hα-helixtrans-61.9-40.5175.2-63.8179.365.700111.4C14 Y15 I21 A22 I158 P213 L214C14-M18 PolarHBondContact O-N 3.01Å; Y15-M18 HydrophobicContact CD2-SD 4.47Å; Y15-M18 WeakPolarHBondContact O-CA 3.46Å; Y15-M18 WeakPolarHBondContact O-CB 3.31Å; Y15-M18 PolarHBondContact O-N 2.8Å; M18-I21 PolarHBondContact O-N 3.26Å; M18-A22 WeakPolarHBondContact O-CB 2.82Å; M18-A22 PolarHBondContact O-N 3.17Å; M18-I158 HydrophobicContact SD-CD1 3.94Å; M18-I158 HydrophobicContact SD-CG1 3.94Å; M18-P213 HydrophobicContact CE-CB 4.19Å; M18-P213 HydrophobicContact CE-CG 3.78Å; M18-L214 HydrophobicContact CG-CD1 3.7Å; M18-L214 HydrophobicContact CG-CD2 4.03Å; M18-L214 HydrophobicContact CG-CG 3.74Å
19Q98.6Very high97.5Very high48 Ų4827.4 Ų27.422%0.22417%0.172CC..Hα-helixtrans-64-40.3174.4-62.9-53.3-47.600112.5Y15 N16 M17 I21 A22 A23 Y140 L141Y15-Q19 HydrophobicContact CE1-CG 4.38Å; Y15-Q19 VanDerWaalsContact CE2-NE2 3.31Å; Y15-Q19 WeakPolarHBondContact O-CG 3.44Å; Y15-Q19 PolarHBondContact O-N 2.62Å; Y15-Q19 PolarHBondContact OH-NE2 3.42Å; N16-Q19 PolarHBondContact O-N 2.72Å; M17-Q19 VanDerWaalsContact C-N 3.31Å; M17-Q19 PolarHBondContact O-N 2.87Å; Q19-I21 VanDerWaalsContact C-N 3.31Å; Q19-I21 PolarHBondContact O-N 3.02Å; Q19-A22 PolarHBondContact O-N 3.23Å; Q19-A23 WeakPolarHBondContact O-CB 2.91Å; Q19-A23 PolarHBondContact O-N 3.11Å; Q19-Y140 HydrophobicContact CB-CD2 3.9Å; Q19-Y140 HydrophobicContact CB-CG 3.9Å; Q19-L141 HydrophobicContact CG-CD2 4.06Å
20C98.7Very high97.9Very high0 Ų027.4 Ų27.40%017%0.172CC..Hα-helixtrans-59.4-43.3174.3-67.50000111.4N16 M17 A23 G24 H25 I27 S113 Y140N16-C20 PolarHBondContact O-N 2.84Å; N16-C20 PolarHBondContact O-SG 2.95Å; M17-C20 WeakPolarHBondContact O-CB 3.27Å; M17-C20 PolarHBondContact O-N 3Å; C20-A23 PolarHBondContact O-N 2.85Å; C20-G24 PolarHBondContact O-N 2.7Å; C20-H25 HydrophobicContact CB-CB 4.33Å; C20-H25 VanDerWaalsContact O-CB 3.23Å; C20-H25 WeakPolarHBondContact O-CB 3.08Å; C20-H25 PolarHBondContact O-N 3.47Å; C20-I27 HydrophobicContact CB-CD1 3.87Å; C20-S113 VanDerWaalsContact SG-CB 3.6Å; C20-S113 PolarHBondContact SG-OG 3.22Å; C20-Y140 HydrophobicContact CB-CE2 4.38Å
21I98.4Very high98.1Very high78 Ų7827.4 Ų27.440%0.417%0.172SC..Hα-helixtrans-66.5-43.8177.8-69.3165000111M17 M18 Q19 A23 G24 I27 L214M17-I21 PolarHBondContact O-N 2.67Å; M18-I21 PolarHBondContact O-N 3.26Å; Q19-I21 VanDerWaalsContact C-N 3.31Å; Q19-I21 PolarHBondContact O-N 3.02Å; I21-A23 PolarHBondContact O-N 3.44Å; I21-G24 PolarHBondContact O-N 3.07Å; I21-I27 HydrophobicContact CD1-CG1 4.08Å; I21-I27 HydrophobicContact CG1-CG1 4.04Å; I21-L214 HydrophobicContact CD1-CD1 4.06Å; I21-L214 HydrophobicContact CD1-CD2 3.38Å; I21-L214 HydrophobicContact CD1-CG 4.35Å
22A98.2Very high98.1Very high81 Ų8127.6 Ų27.667%0.66917%0.173SC*.Hα-helixtrans-59.8-32.8175.600000112.4M18 Q19 G24M18-A22 WeakPolarHBondContact O-CB 2.82Å; M18-A22 PolarHBondContact O-N 3.17Å; Q19-A22 PolarHBondContact O-N 3.23Å; A22-G24 PolarHBondContact O-N 3.42Å
23A98.4Very high97.9Very high48 Ų4826.7 Ų26.740%0.39717%0.168SC..THydrogen-bonded Turntrans-78.85.9173.800000114.3Q19 C20 I21 Y140Q19-A23 WeakPolarHBondContact O-CB 2.91Å; Q19-A23 PolarHBondContact O-N 3.11Å; C20-A23 PolarHBondContact O-N 2.85Å; I21-A23 PolarHBondContact O-N 3.44Å; A23-Y140 HydrophobicContact CB-CE1 4.21Å; A23-Y140 HydrophobicContact CB-CE2 4.49Å; A23-Y140 VanDerWaalsContact CB-OH 3.26Å; A23-Y140 WeakPolarHBondContact CB-OH 3.45Å
24G98.4Very high97.5Very high63 Ų6329.2 Ų29.265%0.64918%0.176SC*.THydrogen-bonded Turntrans81.920.1177.700000114.4C20 I21 A22C20-G24 PolarHBondContact O-N 2.7Å; I21-G24 PolarHBondContact O-N 3.07Å; A22-G24 PolarHBondContact O-N 3.42Å
25H98.6Very high96.9Very high34 Ų3429.4 Ų29.416%0.15718%0.178CC..  trans-93.1158.4172.7-53.7-35.7000111.9V3 C20 L138 Y140V3-H25 HydrophobicContact CG2-CB 3.84Å; C20-H25 HydrophobicContact CB-CB 4.33Å; C20-H25 VanDerWaalsContact O-CB 3.23Å; C20-H25 WeakPolarHBondContact O-CB 3.08Å; C20-H25 PolarHBondContact O-N 3.47Å; H25-L138 VanDerWaalsContact CD2-CD1 3.47Å; H25-L138 WeakPolarHBondContact CD2-CD1 3.37Å; H25-Y140 PolarHBondContact CD2-OH 3.36Å; H25-Y140 PolarHBondContact NE2-OH 3.27Å
26Q98.5Very high95.9Very high119 Ų11930.9 Ų30.956%0.55619%0.191SC*.EExtended strand (participates in β ladder)trans-111.3118.6177.4-172.5-178.15.900109.4M1 V3 V28M1-Q26 PolarHBondContact O-N 2.91Å; M1-Q26 VanDerWaalsContact O-N 3.1Å; V3-Q26 PolarHBondContact N-O 3.46Å; Q26-V28 HydrophobicContact CB-CG1 4.33Å; Q26-V28 HydrophobicContact CG-CG1 3.8Å; Q26-V28 PolarHBondContact O-N 3.1Å
27I98.6Very high94.3Very high16 Ų1637.2 Ų37.28%0.08222%0.221CC..EExtended strand (participates in β ladder)trans-75.7120.8169.2-52.3-57000108V3 A5 M17 C20 I21 L67V3-I27 HydrophobicContact CB-CD1 4.05Å; V3-I27 HydrophobicContact CG1-CD1 3.78Å; V3-I27 WeakPolarHBondContact O-CA 3.5Å; A5-I27 HydrophobicContact CB-CG2 4.2Å; M17-I27 HydrophobicContact CB-CD1 4.43Å; M17-I27 HydrophobicContact CB-CG1 4.27Å; M17-I27 HydrophobicContact CG-CD1 4.26Å; M17-I27 HydrophobicContact CG-CG1 4.35Å; M17-I27 HydrophobicContact SD-CG2 4.2Å; C20-I27 HydrophobicContact CB-CD1 3.87Å; I21-I27 HydrophobicContact CD1-CG1 4.08Å; I21-I27 HydrophobicContact CG1-CG1 4.04Å; I27-L67 HydrophobicContact CG2-CD1 3.77Å
28V98.5Very high92.2Very high12 Ų1244.6 Ų44.67%0.07326%0.26CS..EExtended strand (participates in β ladder)trans-117.9-18.8-175-60.40000113.4R2 V3 Q26 P68 E107 V109R2-V28 HydrophobicContact CB-CG1 4.33Å; R2-V28 HydrophobicContact CB-CG2 4.22Å; R2-V28 HydrophobicContact CG-CG1 4.36Å; V3-V28 PolarHBondContact O-N 2.83Å; Q26-V28 HydrophobicContact CB-CG1 4.33Å; Q26-V28 HydrophobicContact CG-CG1 3.8Å; Q26-V28 PolarHBondContact O-N 3.1Å; V28-P68 VanDerWaalsContact O-CD 3.27Å; V28-P68 WeakPolarHBondContact O-CD 3.3Å; V28-P68 VanDerWaalsContact O-CG 3.28Å; V28-P68 WeakPolarHBondContact O-CG 3.34Å; V28-E107 HydrophobicContact CG2-CB 4.4Å; V28-V109 HydrophobicContact CG2-CG1 3.51Å
29A98.6Very high90Very high0 Ų047.4 Ų47.40%027%0.273CS..EExtended strand (participates in β ladder)trans-154.7157.2-179.500000111.6A4 A5 P68 Y70 V103 E107A4-A29 CarbonylContact C-O 3.59Å; A4-A29 VanDerWaalsContact CA-O 3.31Å; A4-A29 WeakPolarHBondContact CA-O 3.37Å; A4-A29 HydrophobicContact CB-CB 4.36Å; A5-A29 PolarHBondContact N-O 3Å; A29-P68 HydrophobicContact CB-CG 4.02Å; A29-Y70 HydrophobicContact CB-CD2 4.23Å; A29-Y70 HydrophobicContact CB-CE2 4.06Å; A29-V103 HydrophobicContact CB-CG1 4.21Å; A29-E107 HydrophobicContact CB-CB 4.41Å; A29-E107 HydrophobicContact CB-CG 3.83Å
30L98.6Very high87.2Confident0 Ų051.9 Ų51.90%030%0.303CS..EExtended strand (participates in β ladder)trans-110.8139.2175-55.9175.9000109.1A5 I7 M17 Y61 A62 M65 L67 P68 L69 Y70A5-L30 HydrophobicContact CB-CD2 4.07Å; I7-L30 HydrophobicContact CD1-CB 3.85Å; I7-L30 HydrophobicContact CD1-CD1 3.98Å; I7-L30 HydrophobicContact CD1-CD2 4.38Å; I7-L30 HydrophobicContact CD1-CG 4.28Å; I7-L30 HydrophobicContact CG1-CB 4.32Å; I7-L30 HydrophobicContact CG2-CD2 4.03Å; M17-L30 HydrophobicContact SD-CD2 3.95Å; L30-Y61 HydrophobicContact CD1-CD1 4.35Å; L30-A62 HydrophobicContact CD1-CB 3.81Å; L30-M65 HydrophobicContact CD1-CB 4.46Å; L30-M65 HydrophobicContact CD1-SD 4.08Å; L30-M65 HydrophobicContact CD2-SD 4.01Å; L30-L67 HydrophobicContact CD1-CB 4.11Å; L30-L67 HydrophobicContact CD2-CD1 3.99Å; L30-L67 HydrophobicContact CG-CB 4.01Å; L30-L67 HydrophobicContact CG-CD1 4.16Å; L30-P68 PolarHBondContact N-O 2.98Å; L30-L69 HydrophobicContact CB-CD1 3.75Å; L30-Y70 PolarHBondContact O-N 3.37Å
31A98.1Very high84.9Confident0 Ų054.7 Ų54.70%033%0.332CS..EExtended strand (participates in β ladder)trans-128.3128.6179.200000109.4A5 L6 I7 Y70 L99 L100 V103A5-A31 PolarHBondContact O-N 3.26Å; L6-A31 WeakPolarHBondContact CA-O 3.22Å; L6-A31 HydrophobicContact CD2-CB 3.91Å; I7-A31 PolarHBondContact N-O 3.44Å; A31-Y70 WeakPolarHBondContact CA-O 3.26Å; A31-L99 HydrophobicContact CB-CD2 4.11Å; A31-L99 HydrophobicContact CB-CG 4.3Å; A31-L100 HydrophobicContact CB-CD2 4.29Å; A31-V103 HydrophobicContact CB-CG2 4.2Å
32N96.4Very high82.8Confident7 Ų752.9 Ų52.94%0.03733%0.327CS..EExtended strand (participates in β ladder)trans-138.6133.9-178.9173.8-111000111I7 I58 L69 Y70 R71 R72I7-N32 HydrophobicContact CG1-CB 4.19Å; I7-N32 PolarHBondContact O-ND2 3.23Å; N32-I58 HydrophobicContact CB-CG2 4.13Å; N32-L69 HydrophobicContact CB-CD1 4.32Å; N32-Y70 PolarHBondContact N-O 3.13Å; N32-R71 HydrophobicContact CB-CG 4.46Å; N32-R71 VanDerWaalsContact O-CA 3.26Å; N32-R71 WeakPolarHBondContact O-CA 3.37Å; N32-R71 PolarHBondContact OD1-NE 2.93Å; N32-R71 VanDerWaalsContact OD1-NE 3.14Å; N32-R71 PolarHBondContact OD1-NH2 2.81Å; N32-R71 VanDerWaalsContact OD1-NH2 3.12Å; N32-R72 PolarHBondContact O-N 3.09Å; N32-R72 VanDerWaalsContact O-N 3.12Å
33L92.5Very high80.9Confident7 Ų750 Ų504%0.03730%0.3CS..EExtended strand (participates in β ladder)trans-92.9135.9164.3-76.7168.3000108.7Y50 R72 I74 D95 L96 L99L33-Y50 HydrophobicContact CB-CD1 4.3Å; L33-Y50 HydrophobicContact CB-CD2 4.49Å; L33-Y50 HydrophobicContact CB-CE1 4.3Å; L33-Y50 HydrophobicContact CB-CE2 4.47Å; L33-Y50 HydrophobicContact CB-CG 4.41Å; L33-Y50 HydrophobicContact CD1-CD1 4.35Å; L33-Y50 HydrophobicContact CD1-CD2 4.44Å; L33-Y50 HydrophobicContact CD1-CE1 3.56Å; L33-Y50 HydrophobicContact CD1-CE2 3.66Å; L33-Y50 WeakPolarHBondContact CD1-OH 3.4Å; L33-Y50 HydrophobicContact CG-CE1 4.49Å; L33-R72 WeakPolarHBondContact CA-O 3.06Å; L33-R72 HydrophobicContact CD2-CB 3.87Å; L33-R72 HydrophobicContact CD2-CG 4.38Å; L33-R72 WeakPolarHBondContact CD2-O 3.48Å; L33-I74 HydrophobicContact CB-CD1 4.11Å; L33-I74 HydrophobicContact CB-CG1 3.79Å; L33-I74 HydrophobicContact CD2-CG1 4.32Å; L33-I74 HydrophobicContact CG-CG1 4.49Å; L33-D95 HydrophobicContact CD2-CB 3.99Å; L33-L96 HydrophobicContact CD1-CB 3.81Å; L33-L96 HydrophobicContact CD1-CD1 4.07Å; L33-L99 HydrophobicContact CD2-CD2 4.11Å; L33-L99 HydrophobicContact CG-CD2 3.87Å
34R88.7Confident79.1Confident60 Ų6048.7 Ų48.723%0.22629%0.286CS..EExtended strand (participates in β ladder)trans-127.1152.2-17768178.7-174.7164.412.6111.9E37 R72 T73 I74R34-E37 IonicContact CZ-OE1 3.87Å; R34-E37 VanDerWaalsContact CZ-OE1 3.29Å; R34-E37 IonicContact NH1-OE1 3.09Å; R34-E37 PolarHBondContact NH1-OE1 3.27Å; R34-E37 IonicContact NH2-OE1 3.49Å; R34-E37 PolarHBondContact NH2-OE1 3.08Å; R34-R72 PolarHBondContact N-O 3.3Å; R34-T73 CarbonylContact O-C 3.56Å; R34-T73 VanDerWaalsContact O-CA 3.29Å; R34-T73 WeakPolarHBondContact O-CA 3.41Å; R34-I74 PolarHBondContact O-N 3.32Å
35P83.6Confident77.3Confident5 Ų548 Ų483%0.03227%0.267CS..  trans-59.1165.6169.426.2-35.1000112L45 T52 H55P35-L45 HydrophobicContact CB-CD1 3.56Å; P35-L45 HydrophobicContact CB-CG 4.29Å; P35-T52 HydrophobicContact CG-CG2 4.45Å; P35-H55 VanDerWaalsContact CG-CE1 3.48Å; P35-H55 WeakPolarHBondContact CG-CE1 3.21Å
36A78.6Confident75.6Confident38 Ų3854 Ų5431%0.31430%0.3SS..  trans-75.9133.2174.100000110.8N38 Q39 T73A36-N38 PolarHBondContact O-N 2.85Å; A36-Q39 PolarHBondContact O-N 2.88Å; A36-Q39 VanDerWaalsContact O-N 3.16Å; A36-T73 HydrophobicContact CB-CG2 3.72Å
37E64.3Low73.8Confident134 Ų13449.6 Ų49.663%0.62628%0.282SS*.THydrogen-bonded Turntrans-57.7-24.1-176.9-68.6173.6-172.200113.8R34 Q39R34-E37 IonicContact CZ-OE1 3.87Å; R34-E37 VanDerWaalsContact CZ-OE1 3.29Å; R34-E37 IonicContact NH1-OE1 3.09Å; R34-E37 PolarHBondContact NH1-OE1 3.27Å; R34-E37 IonicContact NH2-OE1 3.49Å; R34-E37 PolarHBondContact NH2-OE1 3.08Å; E37-Q39 VanDerWaalsContact C-N 3.27Å; E37-Q39 PolarHBondContact O-N 3.17Å
38N53.3Low72.2Confident154 Ų15456.5 Ų56.582%0.82431%0.308SS*.THydrogen-bonded Turntrans-80.7-0.9-176.9-63.4-9.2000114.1A36 V40A36-N38 PolarHBondContact O-N 2.85Å; N38-V40 PolarHBondContact O-N 2.94Å
39Q53.5Low70.7Confident92 Ų9256.6 Ų56.643%0.4331%0.308SS..  trans-88.165.4169.9-70.2-172.4-21.700110A36 E37 G41 S42A36-Q39 PolarHBondContact O-N 2.88Å; A36-Q39 VanDerWaalsContact O-N 3.16Å; E37-Q39 VanDerWaalsContact C-N 3.27Å; E37-Q39 PolarHBondContact O-N 3.17Å; Q39-G41 PolarHBondContact O-N 3.14Å; Q39-S42 PolarHBondContact O-N 2.94Å
40V39.3Very low69.6Low141 Ų14158.4 Ų58.486%0.85532%0.315SS*.THydrogen-bonded Turntrans-62.5109.1175.4-175.80000108.2N38N38-V40 PolarHBondContact O-N 2.94Å
41G49.8Very low68.8Low59 Ų5959.9 Ų59.961%0.60832%0.322SS*.THydrogen-bonded Turntrans112.7-3.7175.100000116.6Q39Q39-G41 PolarHBondContact O-N 3.14Å
42S54.8Low67.9Low41 Ų4160 Ų6029%0.28732%0.323SS..  trans-124.175.8172.467.60000110.8Q39 E44Q39-S42 PolarHBondContact O-N 2.94Å; S42-E44 PolarHBondContact O-N 2.84Å; S42-E44 VanDerWaalsContact O-N 3.16Å
43D58Low67.2Low19 Ų1959.8 Ų59.810%0.10232%0.322CS..SBendtrans-60.3-16.4166.5-67.6-47.1000111.6T52 V53 H55 H56 Y239 R241D43-T52 CarbonylContact O-C 3.46Å; D43-T52 WeakPolarHBondContact O-CB 3.34Å; D43-T52 PolarHBondContact O-OG1 3.48Å; D43-T52 VanDerWaalsContact O-OG1 3.1Å; D43-V53 PolarHBondContact O-N 2.91Å; D43-H55 IonicContact OD1-CE1 3.33Å; D43-H56 IonicContact OD1-CD2 2.94Å; D43-H56 IonicContact OD1-NE2 3.17Å; D43-H56 PolarHBondContact OD1-NE2 2.8Å; D43-Y239 HydrophobicContact CB-CE2 3.93Å; D43-R241 IonicContact OD2-CZ 3.29Å; D43-R241 IonicContact OD2-NE 3.34Å; D43-R241 PolarHBondContact OD2-NE 3.2Å; D43-R241 IonicContact OD2-NH2 2.7Å
44E60.2Low66.7Low22 Ų2259.9 Ų59.910%0.10332%0.324CS..  trans-104.3113.8174.3-177.4164.7-152.600110.1S42 K164 H229 Y239S42-E44 PolarHBondContact O-N 2.84Å; S42-E44 VanDerWaalsContact O-N 3.16Å; E44-K164 WeakPolarHBondContact OE1-CE 3.34Å; E44-K164 IonicContact OE1-NZ 3.93Å; E44-K164 PolarHBondContact OE1-NZ 3.47Å; E44-H229 WeakPolarHBondContact OE2-CB 3.47Å; E44-H229 IonicContact OE2-CD2 2.72Å; E44-H229 PolarHBondContact OE2-CD2 3.3Å; E44-H229 IonicContact OE2-CE1 3.51Å; E44-H229 IonicContact OE2-CG 3.09Å; E44-H229 IonicContact OE2-ND1 3.71Å; E44-H229 PolarHBondContact OE2-ND1 3.44Å; E44-H229 IonicContact OE2-NE2 3.95Å; E44-Y239 HydrophobicContact CB-CE1 4.26Å
45L61.4Low66.4Low48 Ų4857.9 Ų57.925%0.25132%0.318SS..  trans-102.4145.7166.8-80178.6000110.2P35 S47 T52P35-L45 HydrophobicContact CB-CD1 3.56Å; P35-L45 HydrophobicContact CB-CG 4.29Å; L45-S47 PolarHBondContact O-N 3.31Å; L45-T52 HydrophobicContact CB-CG2 3.97Å; L45-T52 HydrophobicContact CD1-CG2 4.27Å; L45-T52 HydrophobicContact CG-CG2 4.42Å; L45-T52 PolarHBondContact N-OG1 2.99Å; L45-T52 VanDerWaalsContact N-OG1 3.11Å
46D61.6Low66.3Low159 Ų15963.4 Ų63.485%0.8534%0.343SS*.  trans-71.468.9165.1-66.3-36.3000110.7
47S62Low66.9Low27 Ų2761.7 Ų61.719%0.18933%0.328CS..  trans-105.5129.7169.9178.20000110.2L45 M49 Y50 E92L45-S47 PolarHBondContact O-N 3.31Å; S47-M49 PolarHBondContact O-N 3.34Å; S47-M49 PolarHBondContact OG-N 3.04Å; S47-M49 VanDerWaalsContact OG-N 3.16Å; S47-Y50 PolarHBondContact OG-N 3.46Å; S47-E92 PolarHBondContact OG-OE2 3.35Å
48Y65.2Low68.2Low161 Ų16155.3 Ų55.363%0.63130%0.299SS*.SBendtrans-74.9-17.3172.2-71.8-89.6000112.6Q122Y48-Q122 PolarHBondContact O-NE2 2.7Å
49M66.3Low70.1Confident14 Ų1452 Ų527%0.06928%0.281CS..SBendtrans-97.4-39.7-173.9-75.7-64.4-72.400113.7S47 E92 Y121 Q122 R125 V126S47-M49 PolarHBondContact O-N 3.34Å; S47-M49 PolarHBondContact OG-N 3.04Å; S47-M49 VanDerWaalsContact OG-N 3.16Å; M49-E92 HydrophobicContact CG-CG 4.24Å; M49-E92 VanDerWaalsContact CG-OE1 3.25Å; M49-E92 WeakPolarHBondContact CG-OE1 3.05Å; M49-Y121 HydrophobicContact CG-CD1 4.33Å; M49-Y121 HydrophobicContact CG-CE1 3.74Å; M49-Y121 HydrophobicContact SD-CD1 3.64Å; M49-Y121 HydrophobicContact SD-CE1 3.58Å; M49-Y121 VanDerWaalsContact SD-CE1 3.58Å; M49-Q122 PolarHBondContact O-NE2 3.47Å; M49-Q122 HydrophobicContact SD-CB 4.22Å; M49-Q122 HydrophobicContact SD-CG 3.85Å; M49-R125 HydrophobicContact CE-CB 3.85Å; M49-R125 HydrophobicContact SD-CB 4.13Å; M49-R125 HydrophobicContact SD-CG 4.48Å; M49-V126 HydrophobicContact CE-CG2 4.28Å
50Y75.5Confident72Confident38 Ų3849.5 Ų49.515%0.14927%0.27CS..  trans-127.3132.9-160.3-50.3-65.9000113L33 S47 T52 I74 E92L33-Y50 HydrophobicContact CB-CD1 4.3Å; L33-Y50 HydrophobicContact CB-CD2 4.49Å; L33-Y50 HydrophobicContact CB-CE1 4.3Å; L33-Y50 HydrophobicContact CB-CE2 4.47Å; L33-Y50 HydrophobicContact CB-CG 4.41Å; L33-Y50 HydrophobicContact CD1-CD1 4.35Å; L33-Y50 HydrophobicContact CD1-CD2 4.44Å; L33-Y50 HydrophobicContact CD1-CE1 3.56Å; L33-Y50 HydrophobicContact CD1-CE2 3.66Å; L33-Y50 WeakPolarHBondContact CD1-OH 3.4Å; L33-Y50 HydrophobicContact CG-CE1 4.49Å; S47-Y50 PolarHBondContact OG-N 3.46Å; Y50-T52 PolarHBondContact O-N 3.28Å; Y50-I74 HydrophobicContact CD2-CD1 3.51Å; Y50-I74 HydrophobicContact CD2-CG1 4.27Å; Y50-I74 HydrophobicContact CE2-CD1 4.2Å; Y50-I74 HydrophobicContact CE2-CG1 4.5Å; Y50-I74 HydrophobicContact CG-CD1 4.13Å; Y50-E92 HydrophobicContact CE2-CB 4.3Å; Y50-E92 HydrophobicContact CE2-CG 4.11Å
51Q81.8Confident74.5Confident32 Ų3242.8 Ų42.815%0.1523%0.23CC..  trans-61.6131.5163-159.9-176.4-48.300109.3S8 V53 E206 T207S8-Q51 PolarHBondContact OG-OE1 3.01Å; Q51-V53 PolarHBondContact NE2-O 3.23Å; Q51-V53 VanDerWaalsContact NE2-O 3.09Å; Q51-E206 HydrophobicContact CG-CB 4.2Å; Q51-E206 HydrophobicContact CG-CG 4.04Å; Q51-E206 WeakPolarHBondContact CG-OE2 3.39Å; Q51-T207 PolarHBondContact NE2-O 3.32Å; Q51-T207 VanDerWaalsContact NE2-O 3.07Å
52T78.7Confident76.7Confident3 Ų340.3 Ų40.32%0.01820%0.204CC..  trans-116.3-25.2178.547.40000112.8P35 D43 L45 Y50 G54 H55P35-T52 HydrophobicContact CG-CG2 4.45Å; D43-T52 CarbonylContact O-C 3.46Å; D43-T52 WeakPolarHBondContact O-CB 3.34Å; D43-T52 PolarHBondContact O-OG1 3.48Å; D43-T52 VanDerWaalsContact O-OG1 3.1Å; L45-T52 HydrophobicContact CB-CG2 3.97Å; L45-T52 HydrophobicContact CD1-CG2 4.27Å; L45-T52 HydrophobicContact CG-CG2 4.42Å; L45-T52 PolarHBondContact N-OG1 2.99Å; L45-T52 VanDerWaalsContact N-OG1 3.11Å; Y50-T52 PolarHBondContact O-N 3.28Å; T52-G54 PolarHBondContact O-N 3.15Å; T52-H55 WeakPolarHBondContact O-CB 3.26Å; T52-H55 PolarHBondContact O-N 2.99Å; T52-H55 PolarHBondContact O-ND1 3.29Å
53V82.5Confident78.7Confident2 Ų243.4 Ų43.41%0.01221%0.214CC..THydrogen-bonded Turntrans-66.9133171.8-174.20000110D43 Q51 H55 I163 K164 E206 Y239D43-V53 PolarHBondContact O-N 2.91Å; Q51-V53 PolarHBondContact NE2-O 3.23Å; Q51-V53 VanDerWaalsContact NE2-O 3.09Å; V53-H55 VanDerWaalsContact C-N 3.32Å; V53-I163 HydrophobicContact CB-CD1 4.17Å; V53-I163 HydrophobicContact CG1-CB 4.46Å; V53-I163 HydrophobicContact CG1-CD1 3.77Å; V53-I163 HydrophobicContact CG1-CG1 4.24Å; V53-K164 HydrophobicContact CG2-CD 4.08Å; V53-E206 WeakPolarHBondContact CB-OE2 3.36Å; V53-Y239 HydrophobicContact CG1-CD2 4.04Å; V53-Y239 HydrophobicContact CG1-CG 4.14Å; V53-Y239 HydrophobicContact CG2-CD1 4.49Å; V53-Y239 HydrophobicContact CG2-CD2 4.49Å; V53-Y239 HydrophobicContact CG2-CG 4.12Å
54G82Confident80.5Confident8 Ų842.5 Ų42.58%0.08221%0.209CC..THydrogen-bonded Turntrans81.14.7-179.300000114.7T52 H56 A57T52-G54 PolarHBondContact O-N 3.15Å; G54-H56 PolarHBondContact O-N 3.02Å; G54-H56 VanDerWaalsContact O-N 3.13Å; G54-A57 WeakPolarHBondContact O-CB 3.45Å; G54-A57 PolarHBondContact O-N 3.29Å
55H81.3Confident82.3Confident19 Ų1942.1 Ų42.19%0.08821%0.207CC..G310 helixtrans-61.3-25.4-177.376.8-87000114P35 D43 T52 V53 A57 I58 R71P35-H55 VanDerWaalsContact CG-CE1 3.48Å; P35-H55 WeakPolarHBondContact CG-CE1 3.21Å; D43-H55 IonicContact OD1-CE1 3.33Å; T52-H55 WeakPolarHBondContact O-CB 3.26Å; T52-H55 PolarHBondContact O-N 2.99Å; T52-H55 PolarHBondContact O-ND1 3.29Å; V53-H55 VanDerWaalsContact C-N 3.32Å; H55-A57 PolarHBondContact O-N 3.35Å; H55-I58 WeakPolarHBondContact O-CG1 3.3Å; H55-I58 PolarHBondContact O-N 3.46Å; H55-R71 PolarHBondContact O-NH2 2.85Å
56H83.1Confident84Confident120 Ų12043.4 Ų43.456%0.55623%0.225SC*.G310 helixtrans-63.7-27.9174.9-60.7-58.3000112.5D43 G54D43-H56 IonicContact OD1-CD2 2.94Å; D43-H56 IonicContact OD1-NE2 3.17Å; D43-H56 PolarHBondContact OD1-NE2 2.8Å; G54-H56 PolarHBondContact O-N 3.02Å; G54-H56 VanDerWaalsContact O-N 3.13Å
57A89.4Confident85.7Confident2 Ų237.8 Ų37.82%0.01720%0.195CC..G310 helixtrans-87.9-2.1-176.800000113.8G54 H55 D59 L60 Y61 F208 F242 L245G54-A57 WeakPolarHBondContact O-CB 3.45Å; G54-A57 PolarHBondContact O-N 3.29Å; H55-A57 PolarHBondContact O-N 3.35Å; A57-D59 VanDerWaalsContact C-N 3.26Å; A57-D59 PolarHBondContact O-N 3.23Å; A57-L60 PolarHBondContact O-N 3.05Å; A57-Y61 PolarHBondContact O-N 2.91Å; A57-Y61 VanDerWaalsContact O-N 3.17Å; A57-F208 HydrophobicContact CB-CD2 4.49Å; A57-F208 HydrophobicContact CB-CE1 4.06Å; A57-F208 HydrophobicContact CB-CE2 3.6Å; A57-F208 HydrophobicContact CB-CZ 3.34Å; A57-F242 HydrophobicContact CB-CD2 4.17Å; A57-L245 HydrophobicContact CB-CD1 3.44Å; A57-L245 VanDerWaalsContact CB-CD1 3.44Å
58I92.6Very high87.4Confident0 Ų039 Ų390%020%0.202CC..Hα-helixtrans-66.4-28-176.9-62.2-66.7000112.5I7 S8 N32 H55 L60 Y61 A62 L69 F208I7-I58 HydrophobicContact CD1-CG2 3.87Å; S8-I58 VanDerWaalsContact C-CD1 3.48Å; S8-I58 WeakPolarHBondContact O-CD1 3.38Å; N32-I58 HydrophobicContact CB-CG2 4.13Å; H55-I58 WeakPolarHBondContact O-CG1 3.3Å; H55-I58 PolarHBondContact O-N 3.46Å; I58-L60 VanDerWaalsContact C-N 3.34Å; I58-Y61 VanDerWaalsContact O-CB 3.3Å; I58-Y61 WeakPolarHBondContact O-CB 3.31Å; I58-Y61 PolarHBondContact O-N 3.29Å; I58-A62 PolarHBondContact O-N 2.92Å; I58-A62 VanDerWaalsContact O-N 3.08Å; I58-L69 HydrophobicContact CG2-CD1 4.09Å; I58-L69 HydrophobicContact CG2-CD2 3.95Å; I58-F208 HydrophobicContact CD1-CE2 4.34Å
59D92.9Very high89Confident85 Ų8533.4 Ų33.446%0.45518%0.183SC..Hα-helixtrans-67.4-38.6177.3-58.4-35.2000110.8A57 Y61 A62 E63 L69 R71A57-D59 VanDerWaalsContact C-N 3.26Å; A57-D59 PolarHBondContact O-N 3.23Å; D59-Y61 VanDerWaalsContact C-N 3.34Å; D59-A62 PolarHBondContact O-N 3.42Å; D59-E63 PolarHBondContact O-N 3.45Å; D59-E63 VanDerWaalsContact O-N 3.09Å; D59-L69 VanDerWaalsContact OD1-CD2 3.27Å; D59-L69 WeakPolarHBondContact OD1-CD2 3.16Å; D59-R71 VanDerWaalsContact CG-NH1 3.34Å; D59-R71 WeakPolarHBondContact OD1-CD 3.31Å; D59-R71 IonicContact OD1-CZ 3.42Å; D59-R71 IonicContact OD1-NH1 2.62Å; D59-R71 PolarHBondContact OD1-NH1 3.39Å; D59-R71 IonicContact OD2-NH1 2.67Å; D59-R71 PolarHBondContact OD2-NH1 2.97Å
60L94.4Very high90.5Very high40 Ų4034.9 Ų34.921%0.20919%0.187CC..Hα-helixtrans-66-36.1171.9-64.9178.3000112.1A57 I58 A62 E63 A64 I219 L245 L247A57-L60 PolarHBondContact O-N 3.05Å; I58-L60 VanDerWaalsContact C-N 3.34Å; L60-A62 VanDerWaalsContact C-N 3.29Å; L60-A62 PolarHBondContact O-N 3.3Å; L60-E63 PolarHBondContact O-N 2.95Å; L60-A64 WeakPolarHBondContact O-CB 3.36Å; L60-A64 PolarHBondContact O-N 2.93Å; L60-I219 HydrophobicContact CB-CD1 4.47Å; L60-I219 HydrophobicContact CD1-CG2 4.49Å; L60-L245 HydrophobicContact CD1-CB 3.37Å; L60-L245 HydrophobicContact CD1-CD1 4.03Å; L60-L245 HydrophobicContact CD1-CG 4.34Å; L60-L247 HydrophobicContact CB-CD2 4.42Å; L60-L247 HydrophobicContact CD2-CD1 4.21Å; L60-L247 HydrophobicContact CD2-CG 4.15Å
61Y91.9Very high91.4Very high0 Ų035.4 Ų35.40%019%0.189CC..Hα-helixtrans-58.7-41.6174-165.6-72.6000111.5I7 C14 M17 L30 A57 I58 D59 M65 F208 F215I7-Y61 HydrophobicContact CD1-CD1 3.93Å; I7-Y61 HydrophobicContact CD1-CE1 4.25Å; C14-Y61 WeakPolarHBondContact CB-OH 3.27Å; M17-Y61 HydrophobicContact CE-CE1 4.1Å; M17-Y61 WeakPolarHBondContact CE-OH 3.38Å; L30-Y61 HydrophobicContact CD1-CD1 4.35Å; A57-Y61 PolarHBondContact O-N 2.91Å; A57-Y61 VanDerWaalsContact O-N 3.17Å; I58-Y61 VanDerWaalsContact O-CB 3.3Å; I58-Y61 WeakPolarHBondContact O-CB 3.31Å; I58-Y61 PolarHBondContact O-N 3.29Å; D59-Y61 VanDerWaalsContact C-N 3.34Å; Y61-M65 HydrophobicContact CD1-CG 4.35Å; Y61-M65 HydrophobicContact CD1-SD 3.93Å; Y61-M65 HydrophobicContact CE1-CG 4.22Å; Y61-M65 HydrophobicContact CE1-SD 3.38Å; Y61-M65 WeakPolarHBondContact CE1-SD 3.35Å; Y61-M65 WeakPolarHBondContact O-CG 3.41Å; Y61-M65 PolarHBondContact O-N 3.4Å; Y61-M65 VanDerWaalsContact O-N 3.11Å; Y61-F208 HydrophobicContact CD2-CZ 4.37Å; Y61-F215 HydrophobicContact CD1-CE1 4.27Å; Y61-F215 HydrophobicContact CD1-CZ 4.17Å; Y61-F215 HydrophobicContact CD2-CE1 4.45Å; Y61-F215 HydrophobicContact CD2-CE2 4.47Å; Y61-F215 AromaticContact CD2-CZ 3.65Å; Y61-F215 HydrophobicContact CD2-CZ 3.65Å; Y61-F215 AromaticContact CE1-CE1 3.78Å; Y61-F215 HydrophobicContact CE1-CE1 3.78Å; Y61-F215 AromaticContact CE1-CZ 3.95Å; Y61-F215 HydrophobicContact CE1-CZ 3.95Å; Y61-F215 HydrophobicContact CE2-CE1 4.02Å; Y61-F215 AromaticContact CE2-CZ 3.42Å; Y61-F215 HydrophobicContact CE2-CZ 3.42Å; Y61-F215 VanDerWaalsContact CE2-CZ 3.42Å; Y61-F215 HydrophobicContact CG-CZ 4.01Å; Y61-F215 AromaticContact CZ-CE1 3.6Å; Y61-F215 AromaticContact CZ-CZ 3.52Å
62A94.9Very high92Very high7 Ų737.8 Ų37.86%0.05820%0.197CC..Hα-helixtrans-69.7-42177.300000113.3L30 I58 D59 L60 A64 M65 A66 L67 L69L30-A62 HydrophobicContact CD1-CB 3.81Å; I58-A62 PolarHBondContact O-N 2.92Å; I58-A62 VanDerWaalsContact O-N 3.08Å; D59-A62 PolarHBondContact O-N 3.42Å; L60-A62 VanDerWaalsContact C-N 3.29Å; L60-A62 PolarHBondContact O-N 3.3Å; A62-A64 VanDerWaalsContact C-N 3.35Å; A62-M65 PolarHBondContact O-N 3.27Å; A62-A66 PolarHBondContact O-N 3.31Å; A62-L67 PolarHBondContact O-N 2.95Å; A62-L69 HydrophobicContact CB-CB 3.57Å; A62-L69 HydrophobicContact CB-CD2 3.78Å; A62-L69 HydrophobicContact CB-CG 4.15Å
63E96.6Very high92.6Very high106 Ų10639.4 Ų39.450%0.49521%0.207SC..Hα-helixtrans-63.3-42.3173.8-175.3-177.3166.500111.2D59 L60 M65 A66 K217 L247D59-E63 PolarHBondContact O-N 3.45Å; D59-E63 VanDerWaalsContact O-N 3.09Å; L60-E63 PolarHBondContact O-N 2.95Å; E63-M65 VanDerWaalsContact C-N 3.25Å; E63-M65 PolarHBondContact O-N 3.22Å; E63-A66 PolarHBondContact O-N 3.49Å; E63-K217 IonicContact OE1-NZ 3.77Å; E63-L247 HydrophobicContact CB-CD1 3.71Å; E63-L247 HydrophobicContact CG-CD1 3.46Å; E63-L247 VanDerWaalsContact CG-CD1 3.46Å; E63-L247 WeakPolarHBondContact OE2-CD1 3.27Å
64A97Very high92.9Very high0 Ų040.2 Ų40.20%021%0.211CC..Hα-helixtrans-57.3-38.3175.500000112L60 A62 F215 K216 K217 I219 L247L60-A64 WeakPolarHBondContact O-CB 3.36Å; L60-A64 PolarHBondContact O-N 2.93Å; A62-A64 VanDerWaalsContact C-N 3.35Å; A64-F215 HydrophobicContact CB-CD2 3.74Å; A64-F215 HydrophobicContact CB-CE2 4.08Å; A64-F215 HydrophobicContact CB-CG 4.1Å; A64-F215 CarbonylContact O-C 3.52Å; A64-K216 WeakPolarHBondContact O-CA 3.28Å; A64-K216 WeakPolarHBondContact O-CB 3.31Å; A64-K216 PolarHBondContact O-N 2.84Å; A64-K217 WeakPolarHBondContact CB-O 3.38Å; A64-K217 PolarHBondContact O-N 2.87Å; A64-I219 HydrophobicContact CB-CD1 4.47Å; A64-I219 HydrophobicContact CB-CG1 4.21Å; A64-L247 HydrophobicContact CB-CD2 3.85Å
65M96.4Very high93.2Very high13 Ų1349.4 Ų49.46%0.06424%0.243CC..Hα-helixtrans-83.1-14.5176-69.3-168.67500114.3M17 L30 Y61 A62 E63 L67 L214 F215M17-M65 HydrophobicContact CE-CE 3.95Å; M17-M65 HydrophobicContact CE-SD 3.88Å; M17-M65 HydrophobicContact SD-CE 3.84Å; M17-M65 HydrophobicContact SD-SD 4.24Å; L30-M65 HydrophobicContact CD1-CB 4.46Å; L30-M65 HydrophobicContact CD1-SD 4.08Å; L30-M65 HydrophobicContact CD2-SD 4.01Å; Y61-M65 HydrophobicContact CD1-CG 4.35Å; Y61-M65 HydrophobicContact CD1-SD 3.93Å; Y61-M65 HydrophobicContact CE1-CG 4.22Å; Y61-M65 HydrophobicContact CE1-SD 3.38Å; Y61-M65 WeakPolarHBondContact CE1-SD 3.35Å; Y61-M65 WeakPolarHBondContact O-CG 3.41Å; Y61-M65 PolarHBondContact O-N 3.4Å; Y61-M65 VanDerWaalsContact O-N 3.11Å; A62-M65 PolarHBondContact O-N 3.27Å; E63-M65 VanDerWaalsContact C-N 3.25Å; E63-M65 PolarHBondContact O-N 3.22Å; M65-L67 HydrophobicContact CB-CB 4.4Å; M65-L67 HydrophobicContact CB-CD1 4.14Å; M65-L67 HydrophobicContact CB-CG 4.19Å; M65-L67 HydrophobicContact CE-CD1 3.8Å; M65-L67 HydrophobicContact SD-CD1 4.45Å; M65-L214 HydrophobicContact CE-CB 3.84Å; M65-L214 HydrophobicContact CE-CD1 4.09Å; M65-F215 HydrophobicContact CG-CD1 3.45Å; M65-F215 VanDerWaalsContact CG-CD1 3.45Å; M65-F215 HydrophobicContact CG-CE1 3.55Å; M65-F215 HydrophobicContact CG-CG 4.42Å; M65-F215 HydrophobicContact SD-CD1 4.29Å; M65-F215 HydrophobicContact SD-CE1 3.95Å
66A97.2Very high93.4Very high76 Ų7649.1 Ų49.163%0.62825%0.245SC*.THydrogen-bonded Turntrans5448.1-169.800000112.8A62 E63 K216A62-A66 PolarHBondContact O-N 3.31Å; E63-A66 PolarHBondContact O-N 3.49Å; A66-K216 HydrophobicContact CB-CG 4.22Å
67L97.9Very high93.4Very high41 Ų4152.7 Ų52.722%0.21525%0.254CS..  trans-125.4149.1178.9-70.6176.5000111.7I27 L30 A62 M65I27-L67 HydrophobicContact CG2-CD1 3.77Å; L30-L67 HydrophobicContact CD1-CB 4.11Å; L30-L67 HydrophobicContact CD2-CD1 3.99Å; L30-L67 HydrophobicContact CG-CB 4.01Å; L30-L67 HydrophobicContact CG-CD1 4.16Å; A62-L67 PolarHBondContact O-N 2.95Å; M65-L67 HydrophobicContact CB-CB 4.4Å; M65-L67 HydrophobicContact CB-CD1 4.14Å; M65-L67 HydrophobicContact CB-CG 4.19Å; M65-L67 HydrophobicContact CE-CD1 3.8Å; M65-L67 HydrophobicContact SD-CD1 4.45Å
68P98.1Very high93.2Very high52 Ų5254 Ų5434%0.33826%0.263SS..  trans-64137.8173.527.7-33.6000110.6V28 A29 L30 Y70V28-P68 VanDerWaalsContact O-CD 3.27Å; V28-P68 WeakPolarHBondContact O-CD 3.3Å; V28-P68 VanDerWaalsContact O-CG 3.28Å; V28-P68 WeakPolarHBondContact O-CG 3.34Å; A29-P68 HydrophobicContact CB-CG 4.02Å; L30-P68 PolarHBondContact N-O 2.98Å; P68-Y70 HydrophobicContact CB-CE2 4.03Å; P68-Y70 HydrophobicContact CG-CE2 4.4Å
69L98.1Very high92.9Very high44 Ų4458.4 Ų58.423%0.2329%0.286CS..EExtended strand (participates in β ladder)trans-114.1124.7179.7176.963.8000110.8I7 L30 N32 I58 D59 A62 R71I7-L69 HydrophobicContact CD1-CD1 4.2Å; L30-L69 HydrophobicContact CB-CD1 3.75Å; N32-L69 HydrophobicContact CB-CD1 4.32Å; I58-L69 HydrophobicContact CG2-CD1 4.09Å; I58-L69 HydrophobicContact CG2-CD2 3.95Å; D59-L69 VanDerWaalsContact OD1-CD2 3.27Å; D59-L69 WeakPolarHBondContact OD1-CD2 3.16Å; A62-L69 HydrophobicContact CB-CB 3.57Å; A62-L69 HydrophobicContact CB-CD2 3.78Å; A62-L69 HydrophobicContact CB-CG 4.15Å; L69-R71 HydrophobicContact CD1-CG 4.09Å; L69-R71 HydrophobicContact CD2-CG 3.9Å; L69-R71 HydrophobicContact CG-CG 3.71Å
70Y98Very high92.5Very high44 Ų4454.7 Ų54.717%0.17327%0.266CS..EExtended strand (participates in β ladder)trans-108.5118.8174.1-64.5-92.2000109A29 L30 A31 N32 P68 L102 V103 K106 E107A29-Y70 HydrophobicContact CB-CD2 4.23Å; A29-Y70 HydrophobicContact CB-CE2 4.06Å; L30-Y70 PolarHBondContact O-N 3.37Å; A31-Y70 WeakPolarHBondContact CA-O 3.26Å; N32-Y70 PolarHBondContact N-O 3.13Å; P68-Y70 HydrophobicContact CB-CE2 4.03Å; P68-Y70 HydrophobicContact CG-CE2 4.4Å; Y70-L102 HydrophobicContact CD1-CD2 4.01Å; Y70-L102 HydrophobicContact CD1-CG 4.19Å; Y70-V103 HydrophobicContact CD1-CG2 4.26Å; Y70-V103 HydrophobicContact CD2-CG2 3.82Å; Y70-V103 HydrophobicContact CG-CG2 3.61Å; Y70-K106 HydrophobicContact CE1-CB 4.1Å; Y70-K106 HydrophobicContact CE1-CG 4.09Å; Y70-K106 WeakPolarHBondContact OH-CB 3.46Å; Y70-E107 HydrophobicContact CE2-CG 3.76Å; Y70-E107 PolarHBondContact OH-OE1 3.38Å
71R95.1Very high92Very high50 Ų5057.1 Ų57.119%0.18928%0.283CS..EExtended strand (participates in β ladder)trans-117.2141.4178-51-173.179.7176.2-3.1111N32 H55 D59 L69N32-R71 HydrophobicContact CB-CG 4.46Å; N32-R71 VanDerWaalsContact O-CA 3.26Å; N32-R71 WeakPolarHBondContact O-CA 3.37Å; N32-R71 PolarHBondContact OD1-NE 2.93Å; N32-R71 VanDerWaalsContact OD1-NE 3.14Å; N32-R71 PolarHBondContact OD1-NH2 2.81Å; N32-R71 VanDerWaalsContact OD1-NH2 3.12Å; H55-R71 PolarHBondContact O-NH2 2.85Å; D59-R71 VanDerWaalsContact CG-NH1 3.34Å; D59-R71 WeakPolarHBondContact OD1-CD 3.31Å; D59-R71 IonicContact OD1-CZ 3.42Å; D59-R71 IonicContact OD1-NH1 2.62Å; D59-R71 PolarHBondContact OD1-NH1 3.39Å; D59-R71 IonicContact OD2-NH1 2.67Å; D59-R71 PolarHBondContact OD2-NH1 2.97Å; L69-R71 HydrophobicContact CD1-CG 4.09Å; L69-R71 HydrophobicContact CD2-CG 3.9Å; L69-R71 HydrophobicContact CG-CG 3.71Å
72R93.8Very high91.8Very high82 Ų8264.3 Ų64.331%0.30931%0.31SS..EExtended strand (participates in β ladder)trans-132.1140.8169-172.6-177-178.399.5-5.9109.8N32 L33 R34 D95 E98 L99N32-R72 PolarHBondContact O-N 3.09Å; N32-R72 VanDerWaalsContact O-N 3.12Å; L33-R72 WeakPolarHBondContact CA-O 3.06Å; L33-R72 HydrophobicContact CD2-CB 3.87Å; L33-R72 HydrophobicContact CD2-CG 4.38Å; L33-R72 WeakPolarHBondContact CD2-O 3.48Å; R34-R72 PolarHBondContact N-O 3.3Å; R72-D95 WeakPolarHBondContact CD-O 3.35Å; R72-D95 IonicContact NE-OD1 3.37Å; R72-E98 VanDerWaalsContact CZ-CB 3.44Å; R72-L99 HydrophobicContact CB-CB 4.15Å; R72-L99 HydrophobicContact CB-CD1 4.21Å
73T91.4Very high91.3Very high36 Ų3672.1 Ų72.122%0.22135%0.345CS..EExtended strand (participates in β ladder)trans-75.5133.5174.5-64.50000110.2R34 A36 R75R34-T73 CarbonylContact O-C 3.56Å; R34-T73 VanDerWaalsContact O-CA 3.29Å; R34-T73 WeakPolarHBondContact O-CA 3.41Å; A36-T73 HydrophobicContact CB-CG2 3.72Å; T73-R75 PolarHBondContact O-N 2.87Å
74I88.7Confident90.8Very high20 Ų2072.1 Ų72.110%0.10335%0.352CS..  trans-68.4118.8171.5-57.6163.3000107.9L33 R34 Y50 E92L33-I74 HydrophobicContact CB-CD1 4.11Å; L33-I74 HydrophobicContact CB-CG1 3.79Å; L33-I74 HydrophobicContact CD2-CG1 4.32Å; L33-I74 HydrophobicContact CG-CG1 4.49Å; R34-I74 PolarHBondContact O-N 3.32Å; Y50-I74 HydrophobicContact CD2-CD1 3.51Å; Y50-I74 HydrophobicContact CD2-CG1 4.27Å; Y50-I74 HydrophobicContact CE2-CD1 4.2Å; Y50-I74 HydrophobicContact CE2-CG1 4.5Å; Y50-I74 HydrophobicContact CG-CD1 4.13Å; I74-E92 HydrophobicContact CG2-CB 4Å
75R89.2Confident90.6Very high201 Ų20172.3 Ų72.376%0.75835%0.353SS*.  trans-112-32.9176.4-65.7-179.1178.3-175.3-0.4111.3T73 D95T73-R75 PolarHBondContact O-N 2.87Å; R75-D95 PolarHBondContact N-OD2 2.85Å
76G84.3Confident90.2Very high13 Ų1375.4 Ų75.413%0.13437%0.373CS..SBendtrans-70.8172.3174.200000112.9G90 D95G76-G90 CarbonylContact C-O 3.45Å; G76-G90 WeakPolarHBondContact CA-O 3.25Å; G76-D95 PolarHBondContact N-OD2 2.98Å
77R84.5Confident90Very high195 Ų19578.5 Ų78.574%0.73637%0.372SS*.BIsolated β-bridgetrans-120.2165.5173-62.1-177.3-179.2-173.6-1.5109.4L79 G90 D91 E92R77-L79 HydrophobicContact CB-CD2 4.08Å; R77-L79 HydrophobicContact CB-CG 4.34Å; R77-L79 PolarHBondContact O-N 2.77Å; R77-G90 PolarHBondContact N-O 2.9Å; R77-D91 VanDerWaalsContact O-CA 3.23Å; R77-D91 WeakPolarHBondContact O-CA 3.41Å; R77-E92 PolarHBondContact O-N 3.46Å
78S84.3Confident89.6Confident30 Ų3078.3 Ų78.321%0.2137%0.374CS..  trans-72.390.1170.7-44.60000109.3E92S78-E92 PolarHBondContact OG-OE1 3.17Å
79L85.8Confident89.2Confident91 Ų9184.7 Ų84.748%0.47640%0.399SS..  trans-97-50.7-175-62.4-179.5000111.6R77 T81 G90 D91R77-L79 HydrophobicContact CB-CD2 4.08Å; R77-L79 HydrophobicContact CB-CG 4.34Å; R77-L79 PolarHBondContact O-N 2.77Å; L79-T81 PolarHBondContact O-N 3.3Å; L79-G90 WeakPolarHBondContact CD1-O 3.38Å; L79-D91 WeakPolarHBondContact CA-OD2 3.31Å; L79-D91 HydrophobicContact CB-CB 4.31Å; L79-D91 WeakPolarHBondContact CB-OD2 3.37Å; L79-D91 HydrophobicContact CD1-CB 4.49Å; L79-D91 PolarHBondContact N-OD2 3.34Å
80D85.9Confident88.8Confident8 Ų884.7 Ų84.74%0.04341%0.41CS..  trans-88.7105.3175.3-171.2-3.8000109.8R82 Y85 T86 C88 D91 R125D80-R82 VanDerWaalsContact OD1-CB 3.27Å; D80-R82 WeakPolarHBondContact OD1-CB 3.43Å; D80-R82 WeakPolarHBondContact OD1-CG 3.23Å; D80-R82 IonicContact OD1-CZ 3.62Å; D80-R82 PolarHBondContact OD1-N 2.95Å; D80-R82 IonicContact OD1-NE 2.81Å; D80-R82 PolarHBondContact OD1-NE 3.12Å; D80-R82 IonicContact OD1-NH2 3.58Å; D80-R82 IonicContact OD2-CZ 3.92Å; D80-R82 IonicContact OD2-NE 2.9Å; D80-R82 PolarHBondContact OD2-NE 2.83Å; D80-R82 IonicContact OD2-NH2 2.72Å; D80-R82 PolarHBondContact OD2-NH2 3.31Å; D80-Y85 HydrophobicContact CB-CD2 4Å; D80-Y85 HydrophobicContact CB-CE2 3.93Å; D80-T86 PolarHBondContact OD2-N 2.87Å; D80-T86 VanDerWaalsContact OD2-N 3.12Å; D80-C88 HydrophobicContact CB-CB 4.32Å; D80-D91 PolarHBondContact N-OD2 3.01Å; D80-R125 PolarHBondContact O-NH2 3.49Å
81T83.9Confident88.5Confident91 Ų9182.7 Ų82.756%0.55840%0.402SS*.  trans-1028.9177.958.20000113.9L79 Y121L79-T81 PolarHBondContact O-N 3.3Å; T81-Y121 HydrophobicContact CG2-CE2 4.25Å
82R87.8Confident88.3Confident150 Ų15080.5 Ų80.557%0.56639%0.394SS*.SBendtrans-68.5162.9178.9-62.1171.3-66.1-176.81.1111.1D80 V84 R125D80-R82 VanDerWaalsContact OD1-CB 3.27Å; D80-R82 WeakPolarHBondContact OD1-CB 3.43Å; D80-R82 WeakPolarHBondContact OD1-CG 3.23Å; D80-R82 IonicContact OD1-CZ 3.62Å; D80-R82 PolarHBondContact OD1-N 2.95Å; D80-R82 IonicContact OD1-NE 2.81Å; D80-R82 PolarHBondContact OD1-NE 3.12Å; D80-R82 IonicContact OD1-NH2 3.58Å; D80-R82 IonicContact OD2-CZ 3.92Å; D80-R82 IonicContact OD2-NE 2.9Å; D80-R82 PolarHBondContact OD2-NE 2.83Å; D80-R82 IonicContact OD2-NH2 2.72Å; D80-R82 PolarHBondContact OD2-NH2 3.31Å; R82-V84 VanDerWaalsContact C-N 3.31Å; R82-V84 PolarHBondContact O-N 2.84Å; R82-R125 PolarHBondContact O-NH2 3.16Å; R82-R125 VanDerWaalsContact O-NH2 3.07Å
83Q83.1Confident88.3Confident172 Ų17276.6 Ų76.680%0.80438%0.379SS*.SBendtrans-61.6-39.2176.9-74.2-174.8-15.600112.2I124Q83-I124 WeakPolarHBondContact O-CD1 3.36Å; Q83-I124 WeakPolarHBondContact O-CG2 3.44Å
84V87.5Confident88.5Confident106 Ų10676 Ų7664%0.64237%0.374SS*.SBendtrans-105.6116.5176.2-178.70000108.6R82R82-V84 VanDerWaalsContact C-N 3.31Å; R82-V84 PolarHBondContact O-N 2.84Å
85Y90.8Very high88.8Confident4 Ų475.8 Ų75.82%0.01637%0.373CS..  trans-72129.6177.8-176.7-97.1000111.1D80 C88 D91 V93 E94 R125 N128D80-Y85 HydrophobicContact CB-CD2 4Å; D80-Y85 HydrophobicContact CB-CE2 3.93Å; Y85-C88 PolarHBondContact OH-N 3.12Å; Y85-D91 HydrophobicContact CE2-CB 4.5Å; Y85-V93 HydrophobicContact CD1-CG1 3.94Å; Y85-V93 HydrophobicContact CD2-CB 4.43Å; Y85-V93 HydrophobicContact CD2-CG1 4.46Å; Y85-V93 HydrophobicContact CD2-CG2 4.07Å; Y85-V93 HydrophobicContact CE1-CB 3.99Å; Y85-V93 HydrophobicContact CE1-CG1 3.47Å; Y85-V93 VanDerWaalsContact CE1-CG1 3.47Å; Y85-V93 HydrophobicContact CE2-CB 3.72Å; Y85-V93 HydrophobicContact CE2-CG1 4.04Å; Y85-V93 HydrophobicContact CE2-CG2 3.67Å; Y85-V93 HydrophobicContact CG-CG1 4.42Å; Y85-V93 VanDerWaalsContact CZ-CB 3.48Å; Y85-E94 PolarHBondContact OH-OE1 3.41Å; Y85-R125 HydrophobicContact CD2-CG 4.02Å; Y85-R125 HydrophobicContact CG-CG 4.11Å; Y85-N128 HydrophobicContact CD1-CB 4.14Å; Y85-N128 PolarHBondContact O-ND2 3.03Å; Y85-N128 VanDerWaalsContact O-ND2 3.12Å
86T89.6Confident89.2Confident78 Ų7866.2 Ų66.248%0.47934%0.337SS..  trans-114.4140.6165.4-55.80000108.4D80 C88D80-T86 PolarHBondContact OD2-N 2.87Å; D80-T86 VanDerWaalsContact OD2-N 3.12Å; T86-C88 PolarHBondContact O-N 2.91Å
87K91.6Very high89.8Confident140 Ų14067.7 Ų67.761%0.60934%0.339SS*.  trans-44.9120.8176.9175.7171.4-177-178.80110.3E94K87-E94 VanDerWaalsContact CE-OE2 3.29Å; K87-E94 WeakPolarHBondContact CE-OE2 3.37Å
88C90.1Very high90.5Very high38 Ų3861.9 Ų61.926%0.25732%0.32SS..  trans-127.7123-178.8-174.10000108.7D80 Y85 T86 G90 D91 E94D80-C88 HydrophobicContact CB-CB 4.32Å; Y85-C88 PolarHBondContact OH-N 3.12Å; T86-C88 PolarHBondContact O-N 2.91Å; C88-G90 PolarHBondContact O-N 3.39Å; C88-D91 HydrophobicContact CB-CB 3.87Å; C88-D91 VanDerWaalsContact O-CB 3.31Å; C88-D91 WeakPolarHBondContact O-CB 3.21Å; C88-D91 PolarHBondContact O-N 3.41Å; C88-E94 WeakPolarHBondContact O-CG 3.45Å
89E90.6Very high91.2Very high185 Ų18560.6 Ų60.686%0.86431%0.311SS*.THydrogen-bonded Turntrans-67.5133.8179.1-172.7174.5-175.500110.4D91E89-D91 VanDerWaalsContact C-N 3.3Å
90G88.8Confident91.8Very high45 Ų4556.2 Ų56.246%0.46429%0.288SS..THydrogen-bonded Turntrans79.98.1-175.900000114.5G76 R77 L79 C88G76-G90 CarbonylContact C-O 3.45Å; G76-G90 WeakPolarHBondContact CA-O 3.25Å; R77-G90 PolarHBondContact N-O 2.9Å; L79-G90 WeakPolarHBondContact CD1-O 3.38Å; C88-G90 PolarHBondContact O-N 3.39Å
91D92.2Very high92.4Very high1 Ų159.4 Ų59.41%0.00530%0.301CS..BIsolated β-bridgetrans-87.7143.6175.1-167-75.1000112R77 L79 D80 Y85 C88 E89 V93 E94R77-D91 VanDerWaalsContact O-CA 3.23Å; R77-D91 WeakPolarHBondContact O-CA 3.41Å; L79-D91 WeakPolarHBondContact CA-OD2 3.31Å; L79-D91 HydrophobicContact CB-CB 4.31Å; L79-D91 WeakPolarHBondContact CB-OD2 3.37Å; L79-D91 HydrophobicContact CD1-CB 4.49Å; L79-D91 PolarHBondContact N-OD2 3.34Å; D80-D91 PolarHBondContact N-OD2 3.01Å; Y85-D91 HydrophobicContact CE2-CB 4.5Å; C88-D91 HydrophobicContact CB-CB 3.87Å; C88-D91 VanDerWaalsContact O-CB 3.31Å; C88-D91 WeakPolarHBondContact O-CB 3.21Å; C88-D91 PolarHBondContact O-N 3.41Å; E89-D91 VanDerWaalsContact C-N 3.3Å; D91-V93 PolarHBondContact O-N 3.16Å; D91-V93 VanDerWaalsContact O-N 3.12Å; D91-V93 WeakPolarHBondContact OD1-CB 3.4Å; D91-V93 WeakPolarHBondContact OD1-CG2 3.4Å; D91-V93 PolarHBondContact OD1-N 3.04Å; D91-E94 PolarHBondContact O-N 3.35Å
92E90.7Very high93.1Very high4 Ų458.4 Ų58.42%0.01929%0.292CS..Hα-helixtrans-60.4-20.8-179.670.7-176.6159.700113.7S47 M49 Y50 I74 R77 S78 E94 D95 L96S47-E92 PolarHBondContact OG-OE2 3.35Å; M49-E92 HydrophobicContact CG-CG 4.24Å; M49-E92 VanDerWaalsContact CG-OE1 3.25Å; M49-E92 WeakPolarHBondContact CG-OE1 3.05Å; Y50-E92 HydrophobicContact CE2-CB 4.3Å; Y50-E92 HydrophobicContact CE2-CG 4.11Å; I74-E92 HydrophobicContact CG2-CB 4Å; R77-E92 PolarHBondContact O-N 3.46Å; S78-E92 PolarHBondContact OG-OE1 3.17Å; E92-E94 VanDerWaalsContact C-N 3.28Å; E92-E94 PolarHBondContact O-N 3.49Å; E92-D95 PolarHBondContact O-N 2.89Å; E92-L96 PolarHBondContact O-N 2.61Å
93V94.4Very high93.6Very high0 Ų051.2 Ų51.20%027%0.265CS..Hα-helixtrans-68.1-27.7174.6177.60000111.9Y85 D91 D95 L96 Y97 R125 V129Y85-V93 HydrophobicContact CD1-CG1 3.94Å; Y85-V93 HydrophobicContact CD2-CB 4.43Å; Y85-V93 HydrophobicContact CD2-CG1 4.46Å; Y85-V93 HydrophobicContact CD2-CG2 4.07Å; Y85-V93 HydrophobicContact CE1-CB 3.99Å; Y85-V93 HydrophobicContact CE1-CG1 3.47Å; Y85-V93 VanDerWaalsContact CE1-CG1 3.47Å; Y85-V93 HydrophobicContact CE2-CB 3.72Å; Y85-V93 HydrophobicContact CE2-CG1 4.04Å; Y85-V93 HydrophobicContact CE2-CG2 3.67Å; Y85-V93 HydrophobicContact CG-CG1 4.42Å; Y85-V93 VanDerWaalsContact CZ-CB 3.48Å; D91-V93 PolarHBondContact O-N 3.16Å; D91-V93 VanDerWaalsContact O-N 3.12Å; D91-V93 WeakPolarHBondContact OD1-CB 3.4Å; D91-V93 WeakPolarHBondContact OD1-CG2 3.4Å; D91-V93 PolarHBondContact OD1-N 3.04Å; V93-D95 VanDerWaalsContact C-N 3.35Å; V93-L96 WeakPolarHBondContact O-CB 3.3Å; V93-L96 PolarHBondContact O-N 3.26Å; V93-Y97 PolarHBondContact O-N 3.25Å; V93-R125 HydrophobicContact CG1-CB 4.3Å; V93-R125 HydrophobicContact CG2-CB 3.79Å; V93-R125 HydrophobicContact CG2-CG 3.59Å; V93-V129 HydrophobicContact CG1-CG2 3.66Å
94E95.6Very high94.3Very high25 Ų2546.2 Ų46.212%0.11724%0.241CC..Hα-helixtrans-74.9-27.4175.1-61.2-57.1121.700111.9Y85 K87 C88 D91 E92 L96 Y97 E98 R132Y85-E94 PolarHBondContact OH-OE1 3.41Å; K87-E94 VanDerWaalsContact CE-OE2 3.29Å; K87-E94 WeakPolarHBondContact CE-OE2 3.37Å; C88-E94 WeakPolarHBondContact O-CG 3.45Å; D91-E94 PolarHBondContact O-N 3.35Å; E92-E94 VanDerWaalsContact C-N 3.28Å; E92-E94 PolarHBondContact O-N 3.49Å; E94-L96 VanDerWaalsContact C-N 3.33Å; E94-Y97 WeakPolarHBondContact O-CB 3.47Å; E94-Y97 PolarHBondContact O-N 2.78Å; E94-E98 WeakPolarHBondContact O-CG 3.45Å; E94-E98 PolarHBondContact O-N 3.18Å; E94-R132 IonicContact OE1-CZ 3.6Å; E94-R132 IonicContact OE1-NH1 3.61Å; E94-R132 PolarHBondContact OE1-NH1 3.05Å; E94-R132 IonicContact OE1-NH2 2.77Å; E94-R132 IonicContact OE2-CZ 2.9Å; E94-R132 IonicContact OE2-NH1 3.66Å; E94-R132 PolarHBondContact OE2-NH1 2.78Å; E94-R132 IonicContact OE2-NH2 3.52Å; E94-R132 PolarHBondContact OE2-NH2 2.81Å
95D95.2Very high94.8Very high14 Ų1447.3 Ų47.38%0.07524%0.239CC..Hα-helixtrans-66.5-38169.6-71.7-48000111.4L33 R72 R75 G76 E92 V93 Y97 E98 L99L33-D95 HydrophobicContact CD2-CB 3.99Å; R72-D95 WeakPolarHBondContact CD-O 3.35Å; R72-D95 IonicContact NE-OD1 3.37Å; R75-D95 PolarHBondContact N-OD2 2.85Å; G76-D95 PolarHBondContact N-OD2 2.98Å; E92-D95 PolarHBondContact O-N 2.89Å; V93-D95 VanDerWaalsContact C-N 3.35Å; D95-Y97 VanDerWaalsContact C-N 3.34Å; D95-E98 PolarHBondContact O-N 3.05Å; D95-L99 WeakPolarHBondContact O-CB 3.47Å; D95-L99 PolarHBondContact O-N 3.46Å
96L96.8Very high95.2Very high0 Ų053.6 Ų53.60%027%0.266CS..Hα-helixtrans-62-42.7171.9179.963.4000111.6L6 L33 E92 V93 E94 E98 L99 L100 V126 V129L6-L96 HydrophobicContact CD1-CD1 4.03Å; L6-L96 HydrophobicContact CD2-CD1 3.64Å; L33-L96 HydrophobicContact CD1-CB 3.81Å; L33-L96 HydrophobicContact CD1-CD1 4.07Å; E92-L96 PolarHBondContact O-N 2.61Å; V93-L96 WeakPolarHBondContact O-CB 3.3Å; V93-L96 PolarHBondContact O-N 3.26Å; E94-L96 VanDerWaalsContact C-N 3.33Å; L96-E98 PolarHBondContact O-N 3.36Å; L96-L99 PolarHBondContact O-N 2.7Å; L96-L100 HydrophobicContact CD1-CD1 3.93Å; L96-L100 HydrophobicContact CD1-CG 3.92Å; L96-L100 HydrophobicContact CG-CD1 4.07Å; L96-L100 HydrophobicContact CG-CG 4.34Å; L96-L100 WeakPolarHBondContact O-CB 3.29Å; L96-L100 WeakPolarHBondContact O-CG 3.38Å; L96-L100 PolarHBondContact O-N 3.33Å; L96-V126 HydrophobicContact CD2-CG2 3.98Å; L96-V129 HydrophobicContact CD2-CB 4.48Å; L96-V129 HydrophobicContact CD2-CG2 4.16Å; L96-V129 HydrophobicContact CG-CG1 4.41Å; L96-V129 HydrophobicContact CG-CG2 4.31Å
97Y97.9Very high95.6Very high45 Ų4551.6 Ų51.618%0.17625%0.251CS..Hα-helixtrans-57.2-49.7175.8177.6-89.1000111.9V93 E94 D95 L99 L100 K101 V129 R132 L133V93-Y97 PolarHBondContact O-N 3.25Å; E94-Y97 WeakPolarHBondContact O-CB 3.47Å; E94-Y97 PolarHBondContact O-N 2.78Å; D95-Y97 VanDerWaalsContact C-N 3.34Å; Y97-L99 VanDerWaalsContact C-N 3.35Å; Y97-L99 PolarHBondContact O-N 2.84Å; Y97-L100 PolarHBondContact O-N 2.89Å; Y97-K101 HydrophobicContact CE1-CD 4.17Å; Y97-K101 VanDerWaalsContact O-CB 3.25Å; Y97-K101 WeakPolarHBondContact O-CB 3.07Å; Y97-K101 PolarHBondContact O-N 2.99Å; Y97-V129 HydrophobicContact CD2-CG1 4.12Å; Y97-R132 HydrophobicContact CD2-CB 4.24Å; Y97-R132 VanDerWaalsContact CD2-CZ 3.5Å; Y97-R132 HydrophobicContact CE2-CB 3.77Å; Y97-L133 HydrophobicContact CD2-CD1 4.19Å; Y97-L133 HydrophobicContact CD2-CD2 4.09Å; Y97-L133 HydrophobicContact CD2-CG 3.91Å; Y97-L133 HydrophobicContact CE1-CD2 4.42Å; Y97-L133 HydrophobicContact CE2-CD1 4.3Å; Y97-L133 HydrophobicContact CE2-CD2 3.38Å; Y97-L133 HydrophobicContact CE2-CG 3.58Å
98E98.1Very high95.9Very high73 Ų7352.3 Ų52.334%0.34126%0.257SS..Hα-helixtrans-65.9-36.7-179.9-67.6-58.8141.600112.5R72 E94 D95 L96 L102R72-E98 VanDerWaalsContact CZ-CB 3.44Å; E94-E98 WeakPolarHBondContact O-CG 3.45Å; E94-E98 PolarHBondContact O-N 3.18Å; D95-E98 PolarHBondContact O-N 3.05Å; L96-E98 PolarHBondContact O-N 3.36Å; E98-L102 PolarHBondContact O-N 3.36Å; E98-L102 VanDerWaalsContact O-N 3.15Å
99L98.4Very high96.3Very high2 Ų250.7 Ų50.71%0.0125%0.246CC..Hα-helixtrans-62.9-51.8174174.360000111.4A31 L33 R72 D95 L96 Y97 K101 L102 V103A31-L99 HydrophobicContact CB-CD2 4.11Å; A31-L99 HydrophobicContact CB-CG 4.3Å; L33-L99 HydrophobicContact CD2-CD2 4.11Å; L33-L99 HydrophobicContact CG-CD2 3.87Å; R72-L99 HydrophobicContact CB-CB 4.15Å; R72-L99 HydrophobicContact CB-CD1 4.21Å; D95-L99 WeakPolarHBondContact O-CB 3.47Å; D95-L99 PolarHBondContact O-N 3.46Å; L96-L99 PolarHBondContact O-N 2.7Å; Y97-L99 VanDerWaalsContact C-N 3.35Å; Y97-L99 PolarHBondContact O-N 2.84Å; L99-K101 VanDerWaalsContact C-N 3.3Å; L99-K101 PolarHBondContact O-N 3.34Å; L99-L102 WeakPolarHBondContact O-CB 3.48Å; L99-L102 PolarHBondContact O-N 2.88Å; L99-V103 HydrophobicContact CD1-CG2 4.28Å; L99-V103 WeakPolarHBondContact O-CG2 3.36Å; L99-V103 PolarHBondContact O-N 3.26Å
100L98.6Very high96.7Very high0 Ų046.7 Ų46.70%023%0.227CC..Hα-helixtrans-68.5-30.9-177.3-69-173.2000112.5L6 A31 L96 Y97 V103 K104 I112 V129 L133L6-L100 HydrophobicContact CD1-CD1 4.46Å; L6-L100 HydrophobicContact CD2-CD2 3.87Å; L6-L100 HydrophobicContact CG-CD2 4.37Å; A31-L100 HydrophobicContact CB-CD2 4.29Å; L96-L100 HydrophobicContact CD1-CD1 3.93Å; L96-L100 HydrophobicContact CD1-CG 3.92Å; L96-L100 HydrophobicContact CG-CD1 4.07Å; L96-L100 HydrophobicContact CG-CG 4.34Å; L96-L100 WeakPolarHBondContact O-CB 3.29Å; L96-L100 WeakPolarHBondContact O-CG 3.38Å; L96-L100 PolarHBondContact O-N 3.33Å; Y97-L100 PolarHBondContact O-N 2.89Å; L100-V103 PolarHBondContact O-N 3.48Å; L100-K104 VanDerWaalsContact O-CB 3.31Å; L100-K104 WeakPolarHBondContact O-CB 3.46Å; L100-K104 PolarHBondContact O-N 3.04Å; L100-I112 HydrophobicContact CD1-CD1 4.37Å; L100-I112 HydrophobicContact CD1-CG1 4.13Å; L100-I112 HydrophobicContact CD1-CG2 4.42Å; L100-I112 HydrophobicContact CD2-CD1 3.68Å; L100-I112 HydrophobicContact CD2-CG1 4.32Å; L100-I112 HydrophobicContact CD2-CG2 4.48Å; L100-V129 HydrophobicContact CB-CG1 4.3Å; L100-V129 HydrophobicContact CD1-CG1 3.74Å; L100-V129 HydrophobicContact CG-CG1 4.48Å; L100-L133 HydrophobicContact CB-CD1 3.6Å
101K98.6Very high97.1Very high74 Ų7444.6 Ų44.632%0.32221%0.205SC..Hα-helixtrans-60.9-49.2171.3-176.3-178.4172-168.90111.1Y97 L99 V103 K104 E105 L133Y97-K101 HydrophobicContact CE1-CD 4.17Å; Y97-K101 VanDerWaalsContact O-CB 3.25Å; Y97-K101 WeakPolarHBondContact O-CB 3.07Å; Y97-K101 PolarHBondContact O-N 2.99Å; L99-K101 VanDerWaalsContact C-N 3.3Å; L99-K101 PolarHBondContact O-N 3.34Å; K101-V103 PolarHBondContact O-N 3.2Å; K101-K104 PolarHBondContact O-N 3.35Å; K101-E105 WeakPolarHBondContact CE-OE1 3.48Å; K101-E105 WeakPolarHBondContact O-CG 3.41Å; K101-E105 PolarHBondContact O-N 2.8Å; K101-L133 HydrophobicContact CB-CD1 4.35Å; K101-L133 HydrophobicContact CB-CD2 3.92Å; K101-L133 HydrophobicContact CG-CD2 4.18Å
102L98.6Very high97.4Very high70 Ų7044.5 Ų44.537%0.36621%0.205SC..Hα-helixtrans-58.1-47.7176.9173.165.4000111.5Y70 E98 L99 K104 E105 K106Y70-L102 HydrophobicContact CD1-CD2 4.01Å; Y70-L102 HydrophobicContact CD1-CG 4.19Å; E98-L102 PolarHBondContact O-N 3.36Å; E98-L102 VanDerWaalsContact O-N 3.15Å; L99-L102 WeakPolarHBondContact O-CB 3.48Å; L99-L102 PolarHBondContact O-N 2.88Å; L102-K104 VanDerWaalsContact C-N 3.33Å; L102-K104 PolarHBondContact O-N 2.93Å; L102-E105 PolarHBondContact O-N 2.93Å; L102-K106 HydrophobicContact CD1-CG 3.9Å; L102-K106 HydrophobicContact CG-CG 4.47Å; L102-K106 WeakPolarHBondContact O-CB 3.46Å; L102-K106 VanDerWaalsContact O-CG 3.31Å; L102-K106 WeakPolarHBondContact O-CG 3.25Å; L102-K106 PolarHBondContact O-N 3.07Å
103V98.5Very high97.8Very high0 Ų044.4 Ų44.40%020%0.204CC..Hα-helixtrans-62.7-42.9-179.91780000110.7A4 A29 A31 Y70 L99 L100 K101 E105 K106 E107 V109A4-V103 HydrophobicContact CB-CG1 3.5Å; A4-V103 VanDerWaalsContact CB-CG1 3.5Å; A29-V103 HydrophobicContact CB-CG1 4.21Å; A31-V103 HydrophobicContact CB-CG2 4.2Å; Y70-V103 HydrophobicContact CD1-CG2 4.26Å; Y70-V103 HydrophobicContact CD2-CG2 3.82Å; Y70-V103 HydrophobicContact CG-CG2 3.61Å; L99-V103 HydrophobicContact CD1-CG2 4.28Å; L99-V103 WeakPolarHBondContact O-CG2 3.36Å; L99-V103 PolarHBondContact O-N 3.26Å; L100-V103 PolarHBondContact O-N 3.48Å; K101-V103 PolarHBondContact O-N 3.2Å; V103-E105 PolarHBondContact O-N 2.97Å; V103-K106 PolarHBondContact O-N 3.35Å; V103-E107 HydrophobicContact CG1-CB 4.46Å; V103-E107 HydrophobicContact CG1-CG 4.49Å; V103-E107 WeakPolarHBondContact O-CB 3.36Å; V103-E107 PolarHBondContact O-N 3.36Å; V103-V109 HydrophobicContact CG1-CG2 4.17Å
104K98.4Very high97.9Very high67 Ų6745 Ų4529%0.29121%0.208SC..Hα-helixtrans-57.8-46.7175.1-174.1179-173.8176.50112.3L100 K101 L102 K106 E108 V109 L133 N134 L135L100-K104 VanDerWaalsContact O-CB 3.31Å; L100-K104 WeakPolarHBondContact O-CB 3.46Å; L100-K104 PolarHBondContact O-N 3.04Å; K101-K104 PolarHBondContact O-N 3.35Å; L102-K104 VanDerWaalsContact C-N 3.33Å; L102-K104 PolarHBondContact O-N 2.93Å; K104-K106 VanDerWaalsContact C-N 3.33Å; K104-K106 PolarHBondContact O-N 2.94Å; K104-E108 VanDerWaalsContact O-CA 3.3Å; K104-E108 WeakPolarHBondContact O-CA 3.29Å; K104-E108 PolarHBondContact O-N 2.96Å; K104-V109 HydrophobicContact CB-CG2 4.27Å; K104-L133 PolarHBondContact NZ-O 3.45Å; K104-N134 PolarHBondContact NZ-O 2.76Å; K104-L135 HydrophobicContact CD-CD1 4.39Å; K104-L135 HydrophobicContact CD-CD2 3.86Å; K104-L135 HydrophobicContact CD-CG 4.13Å; K104-L135 HydrophobicContact CG-CD2 4.15Å
105E97.9Very high97.9Very high128 Ų12844.7 Ų44.760%0.59821%0.211SC*.Hα-helixtrans-67.4-31.9-179.2-72.1171.7-177.100112.9K101 L102 V103K101-E105 WeakPolarHBondContact CE-OE1 3.48Å; K101-E105 WeakPolarHBondContact O-CG 3.41Å; K101-E105 PolarHBondContact O-N 2.8Å; L102-E105 PolarHBondContact O-N 2.93Å; V103-E105 PolarHBondContact O-N 2.97Å
106K98.3Very high97.8Very high136 Ų13644.2 Ų44.259%0.59121%0.209SC*.Hα-helixtrans-88-37.1-177.2-68.6-65.4-176.2-177.40114Y70 L102 V103 K104Y70-K106 HydrophobicContact CE1-CB 4.1Å; Y70-K106 HydrophobicContact CE1-CG 4.09Å; Y70-K106 WeakPolarHBondContact OH-CB 3.46Å; L102-K106 HydrophobicContact CD1-CG 3.9Å; L102-K106 HydrophobicContact CG-CG 4.47Å; L102-K106 WeakPolarHBondContact O-CB 3.46Å; L102-K106 VanDerWaalsContact O-CG 3.31Å; L102-K106 WeakPolarHBondContact O-CG 3.25Å; L102-K106 PolarHBondContact O-N 3.07Å; V103-K106 PolarHBondContact O-N 3.35Å; K104-K106 VanDerWaalsContact C-N 3.33Å; K104-K106 PolarHBondContact O-N 2.94Å
107E98.1Very high97.7Very high37 Ų3744.2 Ų44.217%0.17321%0.21CC..Hα-helixtrans-114.5-1.7-168.2-63.6-66.4164.900113.2R2 V28 A29 Y70 V103 V109R2-E107 VanDerWaalsContact CZ-O 3.31Å; R2-E107 PolarHBondContact NE-O 3.27Å; R2-E107 PolarHBondContact NH2-O 3.01Å; R2-E107 IonicContact NH2-OE2 2.77Å; V28-E107 HydrophobicContact CG2-CB 4.4Å; A29-E107 HydrophobicContact CB-CB 4.41Å; A29-E107 HydrophobicContact CB-CG 3.83Å; Y70-E107 HydrophobicContact CE2-CG 3.76Å; Y70-E107 PolarHBondContact OH-OE1 3.38Å; V103-E107 HydrophobicContact CG1-CB 4.46Å; V103-E107 HydrophobicContact CG1-CG 4.49Å; V103-E107 WeakPolarHBondContact O-CB 3.36Å; V103-E107 PolarHBondContact O-N 3.36Å; E107-V109 HydrophobicContact CB-CG1 3.9Å; E107-V109 PolarHBondContact O-N 3.24Å
108E97.6Very high97.4Very high155 Ų15545.7 Ų45.772%0.72422%0.22SC*.  trans52.742.7179.6-57.2-174.7116.800111.9K104K104-E108 VanDerWaalsContact O-CA 3.3Å; K104-E108 WeakPolarHBondContact O-CA 3.29Å; K104-E108 PolarHBondContact O-N 2.96Å
109V98.5Very high97.1Very high3 Ų343.9 Ų43.92%0.01822%0.215CC..  trans-75.4147.9-179.7-630000111.9A4 V28 V103 K104 E107 I112 L135A4-V109 HydrophobicContact CB-CB 4.49Å; A4-V109 HydrophobicContact CB-CG1 4.02Å; A4-V109 HydrophobicContact CB-CG2 4.23Å; V28-V109 HydrophobicContact CG2-CG1 3.51Å; V103-V109 HydrophobicContact CG1-CG2 4.17Å; K104-V109 HydrophobicContact CB-CG2 4.27Å; E107-V109 HydrophobicContact CB-CG1 3.9Å; E107-V109 PolarHBondContact O-N 3.24Å; V109-I112 HydrophobicContact CG2-CD1 4.38Å; V109-L135 HydrophobicContact CG2-CD2 4.17Å; V109-L135 WeakPolarHBondContact O-CD2 3.48Å
110E98.6Very high96.7Very high102 Ų10247.3 Ų47.348%0.47723%0.234SC..SBendtrans-110.6-20.8-179.8-59.3167.799.800111.4M1 R2 L135 Q136M1-E110 WeakPolarHBondContact CA-OE2 3.44Å; M1-E110 HydrophobicContact CB-CB 4.06Å; M1-E110 HydrophobicContact CG-CB 3.98Å; M1-E110 HydrophobicContact SD-CB 4.05Å; R2-E110 PolarHBondContact N-OE2 3.1Å; R2-E110 PolarHBondContact O-N 3.49Å; E110-L135 WeakPolarHBondContact O-CA 3.41Å; E110-Q136 PolarHBondContact O-N 3.3Å
111G98.6Very high96.3Very high0 Ų049.1 Ų49.10%024%0.241CC..EExtended strand (participates in β ladder)trans-142.5163-179.900000113.8R2 V3 A4 Q136R2-G111 PolarHBondContact O-N 3.33Å; V3-G111 VanDerWaalsContact CA-O 3.29Å; V3-G111 WeakPolarHBondContact CA-O 3.11Å; A4-G111 PolarHBondContact N-O 3.43Å; A4-G111 VanDerWaalsContact N-O 3.09Å; G111-Q136 CarbonylContact C-O 3.6Å; G111-Q136 WeakPolarHBondContact CA-O 3.46Å
112I98.7Very high95.9Very high0 Ų048.2 Ų48.20%024%0.238CC..EExtended strand (participates in β ladder)trans-124.1121.4-179.7-58.5-60.2000109.2A4 L6 L100 V109 V114 L135 Q136 L138A4-I112 HydrophobicContact CB-CD1 3.93Å; A4-I112 CarbonylContact O-C 3.55Å; A4-I112 VanDerWaalsContact O-CA 3.3Å; A4-I112 WeakPolarHBondContact O-CA 3.35Å; L6-I112 HydrophobicContact CD1-CG2 3.64Å; L6-I112 HydrophobicContact CG-CG2 3.66Å; L100-I112 HydrophobicContact CD1-CD1 4.37Å; L100-I112 HydrophobicContact CD1-CG1 4.13Å; L100-I112 HydrophobicContact CD1-CG2 4.42Å; L100-I112 HydrophobicContact CD2-CD1 3.68Å; L100-I112 HydrophobicContact CD2-CG1 4.32Å; L100-I112 HydrophobicContact CD2-CG2 4.48Å; V109-I112 HydrophobicContact CG2-CD1 4.38Å; I112-V114 HydrophobicContact CG2-CG2 4.03Å; I112-L135 HydrophobicContact CD1-CD1 4.04Å; I112-L135 HydrophobicContact CG1-CB 4.3Å; I112-L135 HydrophobicContact CG1-CD1 3.91Å; I112-Q136 PolarHBondContact N-O 3.18Å; I112-L138 WeakPolarHBondContact O-CB 3.14Å; I112-L138 PolarHBondContact O-N 3.14Å
113S98.4Very high95.6Very high1 Ų147.3 Ų47.31%0.00723%0.229CC..EExtended strand (participates in β ladder)trans-77.8129.5171.8-174.40000109.8A4 L6 N16 C20A4-S113 PolarHBondContact O-N 2.78Å; L6-S113 PolarHBondContact N-O 3.35Å; N16-S113 PolarHBondContact ND2-OG 2.77Å; C20-S113 VanDerWaalsContact SG-CB 3.6Å; C20-S113 PolarHBondContact SG-OG 3.22Å
114V97.1Very high95.3Very high12 Ų1249.1 Ų49.17%0.07324%0.239CC..  trans-133.1120.7-174.9-166.90000110.5L6 N16 I112 A116 V126 L138 A139L6-V114 HydrophobicContact CD1-CG2 4.43Å; N16-V114 PolarHBondContact ND2-N 2.82Å; N16-V114 PolarHBondContact ND2-O 3.26Å; N16-V114 VanDerWaalsContact ND2-O 3.08Å; N16-V114 PolarHBondContact OD1-O 2.85Å; I112-V114 HydrophobicContact CG2-CG2 4.03Å; V114-A116 VanDerWaalsContact C-N 3.26Å; V114-A116 HydrophobicContact CG1-CB 4.17Å; V114-A116 PolarHBondContact O-N 3.08Å; V114-V126 HydrophobicContact CG1-CG1 4.36Å; V114-V126 HydrophobicContact CG1-CG2 4.19Å; V114-V126 HydrophobicContact CG2-CB 4.5Å; V114-V126 HydrophobicContact CG2-CG1 3.57Å; V114-L138 PolarHBondContact N-O 2.83Å; V114-A139 HydrophobicContact CB-CB 4.34Å
115G95.5Very high95.2Very high19 Ų1946 Ų4620%0.19623%0.225CC..  trans-81.924.7-179.500000115.9D12D12-G115 WeakPolarHBondContact CB-O 3.47Å
116A93.1Very high95.1Very high4 Ų440.2 Ų40.23%0.03320%0.198CC..  trans-76.3130.5-17900000111.3V114 Q122V114-A116 VanDerWaalsContact C-N 3.26Å; V114-A116 HydrophobicContact CG1-CB 4.17Å; V114-A116 PolarHBondContact O-N 3.08Å; A116-Q122 HydrophobicContact CB-CB 4.49Å
117I94.1Very high95Very high1 Ų137 Ų371%0.00519%0.186CC..SBendtrans-102.2-57179.1-58.9171.4000111.1D12 L141 W142 Q143 Q146 L149 M153 C199 E201D12-I117 HydrophobicContact CB-CD1 4.41Å; D12-I117 VanDerWaalsContact OD1-CD1 3.3Å; D12-I117 WeakPolarHBondContact OD1-CD1 3.24Å; I117-L141 HydrophobicContact CG1-CB 3.87Å; I117-L141 HydrophobicContact CG1-CD1 4.24Å; I117-W142 CarbonylContact O-C 3.58Å; I117-W142 WeakPolarHBondContact O-CA 3.15Å; I117-Q143 PolarHBondContact O-N 3.04Å; I117-Q146 HydrophobicContact CG2-CG 4.27Å; I117-L149 HydrophobicContact CB-CD1 4.45Å; I117-L149 HydrophobicContact CD1-CD1 3.86Å; I117-L149 HydrophobicContact CG1-CD1 3.97Å; I117-L149 HydrophobicContact CG2-CD1 3.65Å; I117-M153 HydrophobicContact CD1-CE 4.4Å; I117-C199 HydrophobicContact CD1-CB 3.7Å; I117-E201 HydrophobicContact CB-CG 4.42Å; I117-E201 WeakPolarHBondContact CB-OE1 3.44Å
118L92.6Very high94.9Very high76 Ų7637.1 Ų37.140%0.39819%0.188SC..SBendtrans-124.1-22.3-173.2-170.963.3000114.4D120 W142 E201L118-D120 PolarHBondContact O-N 2.81Å; L118-W142 VanDerWaalsContact C-CH2 3.45Å; L118-W142 WeakPolarHBondContact O-CH2 3.39Å; L118-W142 WeakPolarHBondContact O-CZ3 3.38Å; L118-E201 HydrophobicContact CB-CB 4.37Å; L118-E201 HydrophobicContact CB-CG 3.83Å; L118-E201 WeakPolarHBondContact CB-OE2 3.18Å; L118-E201 PolarHBondContact N-OE2 2.84Å
119S90.8Very high95Very high34 Ų3429.8 Ų29.824%0.23815%0.153CC..  trans-69.1102.2-179.1-176.20000113.9Y121 Q122 R123 W142S119-Y121 PolarHBondContact O-N 3.13Å; S119-Q122 PolarHBondContact O-N 3.06Å; S119-Q122 WeakPolarHBondContact OG-CG 3.3Å; S119-Q122 PolarHBondContact OG-N 2.93Å; S119-R123 PolarHBondContact O-N 3.15Å; S119-R123 VanDerWaalsContact O-N 3.12Å; S119-W142 VanDerWaalsContact C-CZ3 3.43Å; S119-W142 WeakPolarHBondContact O-CZ3 3.29Å
120D90.1Very high94.9Very high74 Ų7429.6 Ų29.640%0.39615%0.152SC..Hα-helixtrans-61.8-32.8172-91.6-47000111L118 Q122 R123 I124 W142L118-D120 PolarHBondContact O-N 2.81Å; D120-Q122 PolarHBondContact O-N 3.41Å; D120-R123 PolarHBondContact O-N 2.78Å; D120-R123 IonicContact OD1-CZ 3.61Å; D120-R123 IonicContact OD1-NE 3.69Å; D120-R123 IonicContact OD1-NH2 2.82Å; D120-R123 PolarHBondContact OD1-NH2 3.04Å; D120-I124 HydrophobicContact CB-CD1 4.23Å; D120-I124 WeakPolarHBondContact O-CB 3.47Å; D120-I124 WeakPolarHBondContact O-CD1 3.38Å; D120-I124 WeakPolarHBondContact O-CG1 3.5Å; D120-I124 PolarHBondContact O-N 3.36Å; D120-W142 HydrophobicContact CB-CH2 4.15Å; D120-W142 VanDerWaalsContact N-CH2 3.35Å; D120-W142 VanDerWaalsContact OD1-CH2 3.27Å; D120-W142 WeakPolarHBondContact OD1-CH2 3.45Å; D120-W142 WeakPolarHBondContact OD1-CZ2 2.99Å
121Y89.3Confident94.9Very high39 Ų3933.2 Ų33.215%0.15317%0.166CC..Hα-helixtrans-55.9-51.4177.2-175.7-79.2000111M49 T81 S119 R125M49-Y121 HydrophobicContact CG-CD1 4.33Å; M49-Y121 HydrophobicContact CG-CE1 3.74Å; M49-Y121 HydrophobicContact SD-CD1 3.64Å; M49-Y121 HydrophobicContact SD-CE1 3.58Å; M49-Y121 VanDerWaalsContact SD-CE1 3.58Å; T81-Y121 HydrophobicContact CG2-CE2 4.25Å; S119-Y121 PolarHBondContact O-N 3.13Å; Y121-R125 VanDerWaalsContact CA-NH1 3.32Å; Y121-R125 VanDerWaalsContact O-CD 3.31Å; Y121-R125 WeakPolarHBondContact O-CD 3.46Å; Y121-R125 WeakPolarHBondContact O-CG 3.48Å; Y121-R125 PolarHBondContact O-N 2.92Å; Y121-R125 PolarHBondContact O-NH1 3.46Å; Y121-R125 PolarHBondContact OH-NE 3.1Å
122Q90.8Very high94.9Very high54 Ų5437 Ų3725%0.25218%0.18SC..Hα-helixtrans-66.4-49.7179.6-72.2171.5-14.400111.4Y48 M49 A116 S119 D120 I124 R125 V126Y48-Q122 PolarHBondContact O-NE2 2.7Å; M49-Q122 PolarHBondContact O-NE2 3.47Å; M49-Q122 HydrophobicContact SD-CB 4.22Å; M49-Q122 HydrophobicContact SD-CG 3.85Å; A116-Q122 HydrophobicContact CB-CB 4.49Å; S119-Q122 PolarHBondContact O-N 3.06Å; S119-Q122 WeakPolarHBondContact OG-CG 3.3Å; S119-Q122 PolarHBondContact OG-N 2.93Å; D120-Q122 PolarHBondContact O-N 3.41Å; Q122-I124 PolarHBondContact O-N 2.87Å; Q122-R125 PolarHBondContact O-N 3.47Å; Q122-V126 WeakPolarHBondContact O-CG2 3.41Å; Q122-V126 PolarHBondContact O-N 3.09Å; Q122-V126 VanDerWaalsContact O-N 3.1Å
123R91.9Very high94.9Very high51 Ų5137.7 Ų37.719%0.19218%0.184CC..Hα-helixtrans-57.2-51.2-177.7-177.6-179.264.289.21.3111.8S119 D120 R125 V126 E127 W142S119-R123 PolarHBondContact O-N 3.15Å; S119-R123 VanDerWaalsContact O-N 3.12Å; D120-R123 PolarHBondContact O-N 2.78Å; D120-R123 IonicContact OD1-CZ 3.61Å; D120-R123 IonicContact OD1-NE 3.69Å; D120-R123 IonicContact OD1-NH2 2.82Å; D120-R123 PolarHBondContact OD1-NH2 3.04Å; R123-R125 VanDerWaalsContact C-N 3.29Å; R123-R125 PolarHBondContact O-N 2.86Å; R123-V126 PolarHBondContact O-N 2.77Å; R123-E127 WeakPolarHBondContact CD-OE1 3.35Å; R123-E127 HydrophobicContact CG-CG 4.21Å; R123-E127 VanDerWaalsContact CG-OE1 3.28Å; R123-E127 WeakPolarHBondContact CG-OE1 3.17Å; R123-E127 IonicContact CZ-OE1 3.23Å; R123-E127 IonicContact NE-OE1 3.93Å; R123-E127 VanDerWaalsContact NH1-CD 3.26Å; R123-E127 IonicContact NH1-OE1 3.94Å; R123-E127 PolarHBondContact NH1-OE1 3.16Å; R123-E127 IonicContact NH1-OE2 3.85Å; R123-E127 PolarHBondContact NH1-OE2 3.31Å; R123-E127 VanDerWaalsContact NH1-OE2 3.09Å; R123-E127 WeakPolarHBondContact O-CB 3.26Å; R123-E127 WeakPolarHBondContact O-CG 3.5Å; R123-E127 PolarHBondContact O-N 3.04Å; R123-W142 HydrophobicContact CB-CE3 4.28Å; R123-W142 HydrophobicContact CB-CH2 4.46Å; R123-W142 HydrophobicContact CB-CZ3 4.12Å; R123-W142 VanDerWaalsContact CD-CD2 3.44Å; R123-W142 VanDerWaalsContact CD-CE2 3.48Å; R123-W142 VanDerWaalsContact NE-CZ2 3.28Å
124I93.3Very high94.9Very high38 Ų3844.2 Ų44.220%0.19522%0.219CC..Hα-helixtrans-63.9-36.1-174.6-67.7169000111.6Q83 D120 Q122 N128Q83-I124 WeakPolarHBondContact O-CD1 3.36Å; Q83-I124 WeakPolarHBondContact O-CG2 3.44Å; D120-I124 HydrophobicContact CB-CD1 4.23Å; D120-I124 WeakPolarHBondContact O-CB 3.47Å; D120-I124 WeakPolarHBondContact O-CD1 3.38Å; D120-I124 WeakPolarHBondContact O-CG1 3.5Å; D120-I124 PolarHBondContact O-N 3.36Å; Q122-I124 PolarHBondContact O-N 2.87Å; I124-N128 WeakPolarHBondContact O-CB 3.43Å; I124-N128 PolarHBondContact O-N 3.01Å
125R95.1Very high95Very high1 Ų144.2 Ų44.20%0.00422%0.218CC..Hα-helixtrans-69.3-43.2178.2-75.3165.2-178.168.15.6111.7M49 D80 R82 Y85 V93 Y121 Q122 R123 N128 V129M49-R125 HydrophobicContact CE-CB 3.85Å; M49-R125 HydrophobicContact SD-CB 4.13Å; M49-R125 HydrophobicContact SD-CG 4.48Å; D80-R125 PolarHBondContact O-NH2 3.49Å; R82-R125 PolarHBondContact O-NH2 3.16Å; R82-R125 VanDerWaalsContact O-NH2 3.07Å; Y85-R125 HydrophobicContact CD2-CG 4.02Å; Y85-R125 HydrophobicContact CG-CG 4.11Å; V93-R125 HydrophobicContact CG1-CB 4.3Å; V93-R125 HydrophobicContact CG2-CB 3.79Å; V93-R125 HydrophobicContact CG2-CG 3.59Å; Y121-R125 VanDerWaalsContact CA-NH1 3.32Å; Y121-R125 VanDerWaalsContact O-CD 3.31Å; Y121-R125 WeakPolarHBondContact O-CD 3.46Å; Y121-R125 WeakPolarHBondContact O-CG 3.48Å; Y121-R125 PolarHBondContact O-N 2.92Å; Y121-R125 PolarHBondContact O-NH1 3.46Å; Y121-R125 PolarHBondContact OH-NE 3.1Å; Q122-R125 PolarHBondContact O-N 3.47Å; R123-R125 VanDerWaalsContact C-N 3.29Å; R123-R125 PolarHBondContact O-N 2.86Å; R125-N128 WeakPolarHBondContact O-CB 3.14Å; R125-N128 PolarHBondContact O-N 3.44Å; R125-V129 PolarHBondContact O-N 3.2Å; R125-V129 VanDerWaalsContact O-N 3.13Å
126V96.3Very high95.1Very high7 Ų748.1 Ų48.14%0.04223%0.232CC..Hα-helixtrans-65.4-43.5174.8-1790000111L6 M49 L96 V114 Q122 R123 N128 V129 C130L6-V126 HydrophobicContact CD1-CG1 3.96Å; L6-V126 HydrophobicContact CD1-CG2 4.18Å; M49-V126 HydrophobicContact CE-CG2 4.28Å; L96-V126 HydrophobicContact CD2-CG2 3.98Å; V114-V126 HydrophobicContact CG1-CG1 4.36Å; V114-V126 HydrophobicContact CG1-CG2 4.19Å; V114-V126 HydrophobicContact CG2-CB 4.5Å; V114-V126 HydrophobicContact CG2-CG1 3.57Å; Q122-V126 WeakPolarHBondContact O-CG2 3.41Å; Q122-V126 PolarHBondContact O-N 3.09Å; Q122-V126 VanDerWaalsContact O-N 3.1Å; R123-V126 PolarHBondContact O-N 2.77Å; V126-N128 VanDerWaalsContact C-N 3.31Å; V126-N128 PolarHBondContact O-N 2.86Å; V126-V129 PolarHBondContact O-N 3.49Å; V126-C130 WeakPolarHBondContact O-CB 3.39Å; V126-C130 PolarHBondContact O-N 3.38Å; V126-C130 PolarHBondContact O-SG 3.21Å
127E96.4Very high95.3Very high70 Ų7049.4 Ų49.433%0.32724%0.24SC..Hα-helixtrans-59.3-40.3175.4-75.8177.1179.800112R123 C130 K131 P137R123-E127 WeakPolarHBondContact CD-OE1 3.35Å; R123-E127 HydrophobicContact CG-CG 4.21Å; R123-E127 VanDerWaalsContact CG-OE1 3.28Å; R123-E127 WeakPolarHBondContact CG-OE1 3.17Å; R123-E127 IonicContact CZ-OE1 3.23Å; R123-E127 IonicContact NE-OE1 3.93Å; R123-E127 VanDerWaalsContact NH1-CD 3.26Å; R123-E127 IonicContact NH1-OE1 3.94Å; R123-E127 PolarHBondContact NH1-OE1 3.16Å; R123-E127 IonicContact NH1-OE2 3.85Å; R123-E127 PolarHBondContact NH1-OE2 3.31Å; R123-E127 VanDerWaalsContact NH1-OE2 3.09Å; R123-E127 WeakPolarHBondContact O-CB 3.26Å; R123-E127 WeakPolarHBondContact O-CG 3.5Å; R123-E127 PolarHBondContact O-N 3.04Å; E127-C130 PolarHBondContact O-N 3.39Å; E127-K131 VanDerWaalsContact O-CB 3.28Å; E127-K131 WeakPolarHBondContact O-CB 3.48Å; E127-K131 PolarHBondContact O-N 3.44Å; E127-P137 HydrophobicContact CG-CB 4.33Å; E127-P137 HydrophobicContact CG-CG 3.95Å
128N96.9Very high95.5Very high39 Ų3950 Ų5021%0.20924%0.242CC..Hα-helixtrans-61.1-48.9176.4-173.9-78.2000111.9Y85 I124 R125 V126 K131 R132Y85-N128 HydrophobicContact CD1-CB 4.14Å; Y85-N128 PolarHBondContact O-ND2 3.03Å; Y85-N128 VanDerWaalsContact O-ND2 3.12Å; I124-N128 WeakPolarHBondContact O-CB 3.43Å; I124-N128 PolarHBondContact O-N 3.01Å; R125-N128 WeakPolarHBondContact O-CB 3.14Å; R125-N128 PolarHBondContact O-N 3.44Å; V126-N128 VanDerWaalsContact C-N 3.31Å; V126-N128 PolarHBondContact O-N 2.86Å; N128-K131 PolarHBondContact O-N 3.1Å; N128-R132 WeakPolarHBondContact O-CG 3.45Å; N128-R132 PolarHBondContact O-N 2.87Å; N128-R132 VanDerWaalsContact O-N 3.1Å; N128-R132 VanDerWaalsContact OD1-CD 3.24Å; N128-R132 WeakPolarHBondContact OD1-CD 3.46Å
129V98Very high95.8Very high0 Ų047.7 Ų47.70%024%0.235CC..Hα-helixtrans-62-47.4177.6171.50000110.8V93 L96 Y97 L100 R125 V126 K131 R132 L133V93-V129 HydrophobicContact CG1-CG2 3.66Å; L96-V129 HydrophobicContact CD2-CB 4.48Å; L96-V129 HydrophobicContact CD2-CG2 4.16Å; L96-V129 HydrophobicContact CG-CG1 4.41Å; L96-V129 HydrophobicContact CG-CG2 4.31Å; Y97-V129 HydrophobicContact CD2-CG1 4.12Å; L100-V129 HydrophobicContact CB-CG1 4.3Å; L100-V129 HydrophobicContact CD1-CG1 3.74Å; L100-V129 HydrophobicContact CG-CG1 4.48Å; R125-V129 PolarHBondContact O-N 3.2Å; R125-V129 VanDerWaalsContact O-N 3.13Å; V126-V129 PolarHBondContact O-N 3.49Å; V129-K131 VanDerWaalsContact C-N 3.33Å; V129-K131 PolarHBondContact O-N 3.4Å; V129-R132 PolarHBondContact O-N 3.24Å; V129-L133 HydrophobicContact CG1-CD1 3.86Å; V129-L133 PolarHBondContact O-N 2.95Å
130C98.2Very high96.1Very high0 Ų049.9 Ų49.90%024%0.239CC..Hα-helixtrans-59.1-43.8178.9-69.50000111.5V126 E127 R132 L133 N134 L135 P137V126-C130 WeakPolarHBondContact O-CB 3.39Å; V126-C130 PolarHBondContact O-N 3.38Å; V126-C130 PolarHBondContact O-SG 3.21Å; E127-C130 PolarHBondContact O-N 3.39Å; C130-R132 PolarHBondContact O-N 3.4Å; C130-L133 CarbonylContact O-C 3.56Å; C130-L133 PolarHBondContact O-N 3.3Å; C130-N134 PolarHBondContact O-N 3.33Å; C130-L135 CarbonylContact C-O 3.53Å; C130-L135 HydrophobicContact CB-CB 4.15Å; C130-L135 WeakPolarHBondContact CB-O 3.47Å; C130-L135 PolarHBondContact O-N 2.9Å; C130-P137 HydrophobicContact CB-CB 4.3Å; C130-P137 HydrophobicContact CB-CG 4.25Å
131K98.1Very high96.5Very high177 Ų17746.4 Ų46.477%0.7722%0.22SC*.Hα-helixtrans-58.7-46.3175.8-178.7178.8-179.9178.20112.1E127 N128 V129 L133 N134E127-K131 VanDerWaalsContact O-CB 3.28Å; E127-K131 WeakPolarHBondContact O-CB 3.48Å; E127-K131 PolarHBondContact O-N 3.44Å; N128-K131 PolarHBondContact O-N 3.1Å; V129-K131 VanDerWaalsContact C-N 3.33Å; V129-K131 PolarHBondContact O-N 3.4Å; K131-L133 VanDerWaalsContact C-N 3.26Å; K131-L133 PolarHBondContact O-N 3.27Å; K131-N134 PolarHBondContact O-N 3Å
132R98.1Very high96.8Very high79 Ų7946.8 Ų46.830%0.29822%0.221SC..Hα-helixtrans-64.5-32.4179.2-70.7162.654.8179.4-2112.5E94 Y97 N128 V129 C130E94-R132 IonicContact OE1-CZ 3.6Å; E94-R132 IonicContact OE1-NH1 3.61Å; E94-R132 PolarHBondContact OE1-NH1 3.05Å; E94-R132 IonicContact OE1-NH2 2.77Å; E94-R132 IonicContact OE2-CZ 2.9Å; E94-R132 IonicContact OE2-NH1 3.66Å; E94-R132 PolarHBondContact OE2-NH1 2.78Å; E94-R132 IonicContact OE2-NH2 3.52Å; E94-R132 PolarHBondContact OE2-NH2 2.81Å; Y97-R132 HydrophobicContact CD2-CB 4.24Å; Y97-R132 VanDerWaalsContact CD2-CZ 3.5Å; Y97-R132 HydrophobicContact CE2-CB 3.77Å; N128-R132 WeakPolarHBondContact O-CG 3.45Å; N128-R132 PolarHBondContact O-N 2.87Å; N128-R132 VanDerWaalsContact O-N 3.1Å; N128-R132 VanDerWaalsContact OD1-CD 3.24Å; N128-R132 WeakPolarHBondContact OD1-CD 3.46Å; V129-R132 PolarHBondContact O-N 3.24Å; C130-R132 PolarHBondContact O-N 3.4Å
133L98.4Very high97.1Very high15 Ų1550.5 Ų50.58%0.07924%0.239CC..THydrogen-bonded Turntrans-921.9179.2-67.1176.1000113.3Y97 L100 K101 K104 V129 C130 K131 L135Y97-L133 HydrophobicContact CD2-CD1 4.19Å; Y97-L133 HydrophobicContact CD2-CD2 4.09Å; Y97-L133 HydrophobicContact CD2-CG 3.91Å; Y97-L133 HydrophobicContact CE1-CD2 4.42Å; Y97-L133 HydrophobicContact CE2-CD1 4.3Å; Y97-L133 HydrophobicContact CE2-CD2 3.38Å; Y97-L133 HydrophobicContact CE2-CG 3.58Å; L100-L133 HydrophobicContact CB-CD1 3.6Å; K101-L133 HydrophobicContact CB-CD1 4.35Å; K101-L133 HydrophobicContact CB-CD2 3.92Å; K101-L133 HydrophobicContact CG-CD2 4.18Å; K104-L133 PolarHBondContact NZ-O 3.45Å; V129-L133 HydrophobicContact CG1-CD1 3.86Å; V129-L133 PolarHBondContact O-N 2.95Å; C130-L133 CarbonylContact O-C 3.56Å; C130-L133 PolarHBondContact O-N 3.3Å; K131-L133 VanDerWaalsContact C-N 3.26Å; K131-L133 PolarHBondContact O-N 3.27Å; L133-L135 HydrophobicContact CB-CD1 3.75Å; L133-L135 HydrophobicContact CB-CG 3.99Å; L133-L135 HydrophobicContact CD1-CD1 4.02Å; L133-L135 PolarHBondContact O-N 3.47Å
134N98.4Very high97.4Very high139 Ų13951.9 Ų51.974%0.74324%0.244SC*.THydrogen-bonded Turntrans4956.8-171.5-167.846.5000111.8K104 C130 K131K104-N134 PolarHBondContact NZ-O 2.76Å; C130-N134 PolarHBondContact O-N 3.33Å; K131-N134 PolarHBondContact O-N 3Å
135L98.6Very high97.6Very high11 Ų1154.3 Ų54.36%0.05826%0.257CS..  trans-120.7148.5174.8-67.1168.6000109K104 V109 E110 I112 C130 L133 P137K104-L135 HydrophobicContact CD-CD1 4.39Å; K104-L135 HydrophobicContact CD-CD2 3.86Å; K104-L135 HydrophobicContact CD-CG 4.13Å; K104-L135 HydrophobicContact CG-CD2 4.15Å; V109-L135 HydrophobicContact CG2-CD2 4.17Å; V109-L135 WeakPolarHBondContact O-CD2 3.48Å; E110-L135 WeakPolarHBondContact O-CA 3.41Å; I112-L135 HydrophobicContact CD1-CD1 4.04Å; I112-L135 HydrophobicContact CG1-CB 4.3Å; I112-L135 HydrophobicContact CG1-CD1 3.91Å; C130-L135 CarbonylContact C-O 3.53Å; C130-L135 HydrophobicContact CB-CB 4.15Å; C130-L135 WeakPolarHBondContact CB-O 3.47Å; C130-L135 PolarHBondContact O-N 2.9Å; L133-L135 HydrophobicContact CB-CD1 3.75Å; L133-L135 HydrophobicContact CB-CG 3.99Å; L133-L135 HydrophobicContact CD1-CD1 4.02Å; L133-L135 PolarHBondContact O-N 3.47Å; L135-P137 WeakPolarHBondContact O-CD 3.41Å
136Q98.5Very high97.7Very high102 Ų10255.7 Ų55.748%0.47726%0.264SS..EExtended strand (participates in β ladder)trans-88.8115.1174.5-179.358.752.200110.8M1 E110 G111 I112 L138M1-Q136 HydrophobicContact CE-CB 4.23Å; M1-Q136 HydrophobicContact CE-CG 4.1Å; M1-Q136 HydrophobicContact SD-CB 4.16Å; E110-Q136 PolarHBondContact O-N 3.3Å; G111-Q136 CarbonylContact C-O 3.6Å; G111-Q136 WeakPolarHBondContact CA-O 3.46Å; I112-Q136 PolarHBondContact N-O 3.18Å; Q136-L138 HydrophobicContact CG-CD2 3.88Å; Q136-L138 HydrophobicContact CG-CG 4.48Å
137P98.1Very high97.7Very high30 Ų3058 Ų5820%0.19527%0.274CS..EExtended strand (participates in β ladder)trans-70.7133.6169.128.9-31.8000110E127 C130 L135E127-P137 HydrophobicContact CG-CB 4.33Å; E127-P137 HydrophobicContact CG-CG 3.95Å; C130-P137 HydrophobicContact CB-CB 4.3Å; C130-P137 HydrophobicContact CB-CG 4.25Å; L135-P137 WeakPolarHBondContact O-CD 3.41Å
138L98.3Very high97.8Very high13 Ų1358.4 Ų58.47%0.06828%0.278CS..EExtended strand (participates in β ladder)trans-119.389.2179.9-61175.5000109M1 V3 N16 H25 I112 V114 Q136 Y140M1-L138 HydrophobicContact CE-CD1 4.26Å; M1-L138 HydrophobicContact CE-CD2 4.04Å; V3-L138 HydrophobicContact CG1-CD1 4.06Å; V3-L138 HydrophobicContact CG2-CD1 3.6Å; N16-L138 PolarHBondContact ND2-O 2.93Å; H25-L138 VanDerWaalsContact CD2-CD1 3.47Å; H25-L138 WeakPolarHBondContact CD2-CD1 3.37Å; I112-L138 WeakPolarHBondContact O-CB 3.14Å; I112-L138 PolarHBondContact O-N 3.14Å; V114-L138 PolarHBondContact N-O 2.83Å; Q136-L138 HydrophobicContact CG-CD2 3.88Å; Q136-L138 HydrophobicContact CG-CG 4.48Å; L138-Y140 HydrophobicContact CB-CD2 4.37Å; L138-Y140 HydrophobicContact CB-CE2 3.89Å; L138-Y140 HydrophobicContact CD2-CE2 4.34Å
139A97.3Very high97.9Very high29 Ų2956.5 Ų56.524%0.2427%0.268CS..  trans-112.173.2-179.300000110.3V114 L141 W142V114-A139 HydrophobicContact CB-CB 4.34Å; A139-L141 PolarHBondContact O-N 3.46Å; A139-W142 HydrophobicContact CB-CB 4.34Å; A139-W142 WeakPolarHBondContact O-CB 3.41Å; A139-W142 PolarHBondContact O-N 2.98Å
140Y97.8Very high97.9Very high80 Ų8056.6 Ų56.631%0.31427%0.268SS..THydrogen-bonded Turntrans-69.5-19.1-174.6-70-79.3000113.6N16 Q19 C20 A23 H25 L138 W142 R144N16-Y140 WeakPolarHBondContact OD1-CB 3.45Å; N16-Y140 PolarHBondContact OD1-N 3.02Å; Q19-Y140 HydrophobicContact CB-CD2 3.9Å; Q19-Y140 HydrophobicContact CB-CG 3.9Å; C20-Y140 HydrophobicContact CB-CE2 4.38Å; A23-Y140 HydrophobicContact CB-CE1 4.21Å; A23-Y140 HydrophobicContact CB-CE2 4.49Å; A23-Y140 VanDerWaalsContact CB-OH 3.26Å; A23-Y140 WeakPolarHBondContact CB-OH 3.45Å; H25-Y140 PolarHBondContact CD2-OH 3.36Å; H25-Y140 PolarHBondContact NE2-OH 3.27Å; L138-Y140 HydrophobicContact CB-CD2 4.37Å; L138-Y140 HydrophobicContact CB-CE2 3.89Å; L138-Y140 HydrophobicContact CD2-CE2 4.34Å; Y140-W142 VanDerWaalsContact C-N 3.34Å; Y140-R144 WeakPolarHBondContact O-CD 3.39Å
141L97.9Very high97.9Very high0 Ų061.6 Ų61.60%029%0.287CS..THydrogen-bonded Turntrans-86.4-10.1-178.6-45.8-172.1000112.9D12 Y15 N16 Q19 I117 A139 Q143 R144 L149 M153D12-L141 HydrophobicContact CB-CD1 4.23Å; D12-L141 WeakPolarHBondContact O-CD1 3.39Å; Y15-L141 HydrophobicContact CD1-CD1 4.09Å; Y15-L141 HydrophobicContact CD1-CD2 3.41Å; Y15-L141 VanDerWaalsContact CD1-CD2 3.41Å; Y15-L141 HydrophobicContact CD1-CG 4.41Å; Y15-L141 HydrophobicContact CE1-CD2 3.76Å; Y15-L141 HydrophobicContact CG-CD2 4.41Å; N16-L141 HydrophobicContact CB-CD1 3.99Å; N16-L141 HydrophobicContact CB-CG 3.98Å; Q19-L141 HydrophobicContact CG-CD2 4.06Å; I117-L141 HydrophobicContact CG1-CB 3.87Å; I117-L141 HydrophobicContact CG1-CD1 4.24Å; A139-L141 PolarHBondContact O-N 3.46Å; L141-Q143 PolarHBondContact O-N 3.11Å; L141-R144 WeakPolarHBondContact O-CB 3.37Å; L141-R144 PolarHBondContact O-N 3.38Å; L141-R144 VanDerWaalsContact O-N 3.16Å; L141-L149 HydrophobicContact CB-CD1 4.29Å; L141-L149 HydrophobicContact CB-CD2 4.48Å; L141-L149 HydrophobicContact CD2-CD2 3.92Å; L141-M153 HydrophobicContact CD1-CE 4.13Å
142W97.3Very high97.9Very high47 Ų4755.8 Ų55.818%0.17826%0.263CS..THydrogen-bonded Turntrans-58.4126.7-171.6-178.7-111.1000112.8I117 L118 S119 D120 R123 A139 Y140 R144I117-W142 CarbonylContact O-C 3.58Å; I117-W142 WeakPolarHBondContact O-CA 3.15Å; L118-W142 VanDerWaalsContact C-CH2 3.45Å; L118-W142 WeakPolarHBondContact O-CH2 3.39Å; L118-W142 WeakPolarHBondContact O-CZ3 3.38Å; S119-W142 VanDerWaalsContact C-CZ3 3.43Å; S119-W142 WeakPolarHBondContact O-CZ3 3.29Å; D120-W142 HydrophobicContact CB-CH2 4.15Å; D120-W142 VanDerWaalsContact N-CH2 3.35Å; D120-W142 VanDerWaalsContact OD1-CH2 3.27Å; D120-W142 WeakPolarHBondContact OD1-CH2 3.45Å; D120-W142 WeakPolarHBondContact OD1-CZ2 2.99Å; R123-W142 HydrophobicContact CB-CE3 4.28Å; R123-W142 HydrophobicContact CB-CH2 4.46Å; R123-W142 HydrophobicContact CB-CZ3 4.12Å; R123-W142 VanDerWaalsContact CD-CD2 3.44Å; R123-W142 VanDerWaalsContact CD-CE2 3.48Å; R123-W142 VanDerWaalsContact NE-CZ2 3.28Å; A139-W142 HydrophobicContact CB-CB 4.34Å; A139-W142 WeakPolarHBondContact O-CB 3.41Å; A139-W142 PolarHBondContact O-N 2.98Å; Y140-W142 VanDerWaalsContact C-N 3.34Å; W142-R144 PolarHBondContact O-N 3.46Å
143Q95.9Very high97.9Very high133 Ų13352 Ų5262%0.62125%0.249SC*.THydrogen-bonded Turntrans54.617.1-179.2-71.3179.810.100115.2I117 L141I117-Q143 PolarHBondContact O-N 3.04Å; L141-Q143 PolarHBondContact O-N 3.11Å
144R97.8Very high97.9Very high80 Ų8052.7 Ų52.730%0.30225%0.252SS..  trans-72.1156170.8-65.2-168.663.1-153.2-7110.4Y140 L141 W142 Q146 L149 E152Y140-R144 WeakPolarHBondContact O-CD 3.39Å; L141-R144 WeakPolarHBondContact O-CB 3.37Å; L141-R144 PolarHBondContact O-N 3.38Å; L141-R144 VanDerWaalsContact O-N 3.16Å; W142-R144 PolarHBondContact O-N 3.46Å; R144-Q146 PolarHBondContact O-N 3.47Å; R144-L149 HydrophobicContact CB-CD1 3.85Å; R144-L149 HydrophobicContact CB-CD2 4.09Å; R144-L149 HydrophobicContact CB-CG 3.86Å; R144-E152 IonicContact CZ-OE1 3.46Å; R144-E152 IonicContact CZ-OE2 3.75Å; R144-E152 VanDerWaalsContact CZ-OE2 3.26Å; R144-E152 IonicContact NH1-OE1 2.71Å; R144-E152 IonicContact NH1-OE2 3.96Å; R144-E152 PolarHBondContact NH1-OE2 2.89Å; R144-E152 IonicContact NH2-OE1 3.39Å; R144-E152 PolarHBondContact NH2-OE1 3.3Å; R144-E152 IonicContact NH2-OE2 2.68Å; R144-E152 PolarHBondContact NH2-OE2 3.35Å
145N97.8Very high97.9Very high89 Ų8950.1 Ų50.148%0.47625%0.245SC..  trans-62.2128175.5-178.2-68.8000110.3E147 D148 L149N145-E147 WeakPolarHBondContact OD1-CB 3.25Å; N145-E147 PolarHBondContact OD1-N 3.06Å; N145-D148 HydrophobicContact CB-CB 4.14Å; N145-D148 WeakPolarHBondContact CB-OD2 3.41Å; N145-D148 PolarHBondContact OD1-N 2.89Å; N145-D148 VanDerWaalsContact OD1-N 3.09Å; N145-L149 WeakPolarHBondContact O-CB 3.48Å; N145-L149 WeakPolarHBondContact O-CG 3.37Å; N145-L149 PolarHBondContact O-N 2.92Å
146Q97.3Very high97.9Very high30 Ų3051.1 Ų51.114%0.1425%0.253CS..Hα-helixtrans-72.1-35.4-173.7-62.5-173.33000113.6I117 R144 L149 L150 H197 V198 C199I117-Q146 HydrophobicContact CG2-CG 4.27Å; R144-Q146 PolarHBondContact O-N 3.47Å; Q146-L149 PolarHBondContact O-N 2.77Å; Q146-L150 WeakPolarHBondContact O-CB 3.34Å; Q146-L150 PolarHBondContact O-N 2.99Å; Q146-H197 PolarHBondContact NE2-ND1 2.8Å; Q146-V198 HydrophobicContact CB-CB 4.11Å; Q146-V198 VanDerWaalsContact OE1-N 3.14Å; Q146-C199 HydrophobicContact CB-CB 4.27Å; Q146-C199 HydrophobicContact CG-CB 4.3Å; Q146-C199 PolarHBondContact O-SG 3.21Å; Q146-C199 VanDerWaalsContact OE1-N 3.09Å
147E97.5Very high97.8Very high56 Ų5651 Ų5126%0.26226%0.256SS..Hα-helixtrans-64.5-44.5175.3-68.5-169-152.700110.8N145 L150 R151 I188 V198N145-E147 WeakPolarHBondContact OD1-CB 3.25Å; N145-E147 PolarHBondContact OD1-N 3.06Å; E147-L150 PolarHBondContact O-N 3.3Å; E147-R151 WeakPolarHBondContact O-CG 3.27Å; E147-R151 PolarHBondContact O-N 3.41Å; E147-R151 VanDerWaalsContact O-N 3.09Å; E147-R151 IonicContact OE2-CZ 2.92Å; E147-R151 IonicContact OE2-NH1 3.65Å; E147-R151 IonicContact OE2-NH2 3.5Å; E147-R151 PolarHBondContact OE2-NH2 2.88Å; E147-I188 HydrophobicContact CG-CG1 4.31Å; E147-V198 HydrophobicContact CG-CG1 4.41Å; E147-V198 HydrophobicContact CG-CG2 4.04Å
148D98.2Very high97.8Very high77 Ų7749.8 Ų49.841%0.41225%0.248SC..Hα-helixtrans-63.3-45177.2-63.9-27.9000110.8N145 L150 R151 E152N145-D148 HydrophobicContact CB-CB 4.14Å; N145-D148 WeakPolarHBondContact CB-OD2 3.41Å; N145-D148 PolarHBondContact OD1-N 2.89Å; N145-D148 VanDerWaalsContact OD1-N 3.09Å; D148-L150 PolarHBondContact O-N 2.61Å; D148-R151 PolarHBondContact O-N 2.84Å; D148-E152 WeakPolarHBondContact O-CB 3.41Å; D148-E152 VanDerWaalsContact O-CG 3.23Å; D148-E152 WeakPolarHBondContact O-CG 3.48Å; D148-E152 PolarHBondContact O-N 3.35Å
149L98.2Very high97.8Very high0 Ų053.1 Ų53.10%026%0.263CS..Hα-helixtrans-57.6-47.5176-80.7-179.7000112.3Y15 I117 L141 R144 N145 Q146 R151 E152 M153Y15-L149 HydrophobicContact CD1-CD2 4.18Å; Y15-L149 HydrophobicContact CE1-CD2 3.73Å; I117-L149 HydrophobicContact CB-CD1 4.45Å; I117-L149 HydrophobicContact CD1-CD1 3.86Å; I117-L149 HydrophobicContact CG1-CD1 3.97Å; I117-L149 HydrophobicContact CG2-CD1 3.65Å; L141-L149 HydrophobicContact CB-CD1 4.29Å; L141-L149 HydrophobicContact CB-CD2 4.48Å; L141-L149 HydrophobicContact CD2-CD2 3.92Å; R144-L149 HydrophobicContact CB-CD1 3.85Å; R144-L149 HydrophobicContact CB-CD2 4.09Å; R144-L149 HydrophobicContact CB-CG 3.86Å; N145-L149 WeakPolarHBondContact O-CB 3.48Å; N145-L149 WeakPolarHBondContact O-CG 3.37Å; N145-L149 PolarHBondContact O-N 2.92Å; Q146-L149 PolarHBondContact O-N 2.77Å; L149-R151 PolarHBondContact O-N 2.89Å; L149-E152 PolarHBondContact O-N 2.72Å; L149-M153 HydrophobicContact CB-CE 4.42Å; L149-M153 VanDerWaalsContact O-CG 3.23Å; L149-M153 WeakPolarHBondContact O-CG 3.33Å; L149-M153 PolarHBondContact O-N 2.83Å
150L98.3Very high97.8Very high1 Ų151.8 Ų51.81%0.00525%0.252CS..Hα-helixtrans-61.4-45.6-179.6-176.863.6000111.1Q146 E147 D148 E152 M153 I154 L180 E184 L187 V198Q146-L150 WeakPolarHBondContact O-CB 3.34Å; Q146-L150 PolarHBondContact O-N 2.99Å; E147-L150 PolarHBondContact O-N 3.3Å; D148-L150 PolarHBondContact O-N 2.61Å; L150-E152 VanDerWaalsContact C-N 3.35Å; L150-E152 PolarHBondContact O-N 3.4Å; L150-M153 PolarHBondContact O-N 3.18Å; L150-I154 HydrophobicContact CD1-CD1 4.39Å; L150-I154 HydrophobicContact CG-CD1 4.09Å; L150-I154 WeakPolarHBondContact O-CD1 3.49Å; L150-I154 WeakPolarHBondContact O-CG1 3.44Å; L150-I154 PolarHBondContact O-N 2.76Å; L150-L180 HydrophobicContact CD1-CB 4.42Å; L150-L180 HydrophobicContact CD1-CD1 4.26Å; L150-L180 HydrophobicContact CD1-CD2 4.03Å; L150-L180 HydrophobicContact CD1-CG 4.48Å; L150-E184 HydrophobicContact CD2-CB 4.15Å; L150-E184 HydrophobicContact CD2-CG 3.75Å; L150-E184 HydrophobicContact CG-CG 4.17Å; L150-L187 HydrophobicContact CD2-CD1 4.14Å; L150-V198 HydrophobicContact CB-CG1 4.13Å; L150-V198 HydrophobicContact CD2-CG1 3.51Å; L150-V198 HydrophobicContact CG-CG1 4.45Å
151R98.5Very high97.8Very high105 Ų10549.4 Ų49.440%0.39624%0.244SC..Hα-helixtrans-63.3-39.4176.2-73.7178.8-172.8138.312.1112.8E147 D148 L149 I154 S155 E184E147-R151 WeakPolarHBondContact O-CG 3.27Å; E147-R151 PolarHBondContact O-N 3.41Å; E147-R151 VanDerWaalsContact O-N 3.09Å; E147-R151 IonicContact OE2-CZ 2.92Å; E147-R151 IonicContact OE2-NH1 3.65Å; E147-R151 IonicContact OE2-NH2 3.5Å; E147-R151 PolarHBondContact OE2-NH2 2.88Å; D148-R151 PolarHBondContact O-N 2.84Å; L149-R151 PolarHBondContact O-N 2.89Å; R151-I154 PolarHBondContact O-N 3Å; R151-S155 WeakPolarHBondContact O-CB 3.3Å; R151-S155 PolarHBondContact O-N 3.21Å; R151-S155 PolarHBondContact O-OG 3.04Å; R151-E184 WeakPolarHBondContact CG-OE1 3.39Å; R151-E184 IonicContact CZ-OE1 3.74Å; R151-E184 IonicContact NE-OE1 2.76Å; R151-E184 PolarHBondContact NE-OE1 3.14Å; R151-E184 IonicContact NH2-OE1 3.62Å
152E98.4Very high97.8Very high55 Ų5549.4 Ų49.426%0.25724%0.244SC..Hα-helixtrans-65.2-41.5176-76.9175.7-170.700111.9Y15 R144 D148 L149 L150 S155 S156Y15-E152 HydrophobicContact CE1-CB 4.29Å; Y15-E152 HydrophobicContact CE2-CB 4.46Å; Y15-E152 VanDerWaalsContact OH-CB 3.27Å; Y15-E152 WeakPolarHBondContact OH-CB 3.45Å; Y15-E152 PolarHBondContact OH-OE2 3.45Å; R144-E152 IonicContact CZ-OE1 3.46Å; R144-E152 IonicContact CZ-OE2 3.75Å; R144-E152 VanDerWaalsContact CZ-OE2 3.26Å; R144-E152 IonicContact NH1-OE1 2.71Å; R144-E152 IonicContact NH1-OE2 3.96Å; R144-E152 PolarHBondContact NH1-OE2 2.89Å; R144-E152 IonicContact NH2-OE1 3.39Å; R144-E152 PolarHBondContact NH2-OE1 3.3Å; R144-E152 IonicContact NH2-OE2 2.68Å; R144-E152 PolarHBondContact NH2-OE2 3.35Å; D148-E152 WeakPolarHBondContact O-CB 3.41Å; D148-E152 VanDerWaalsContact O-CG 3.23Å; D148-E152 WeakPolarHBondContact O-CG 3.48Å; D148-E152 PolarHBondContact O-N 3.35Å; L149-E152 PolarHBondContact O-N 2.72Å; L150-E152 VanDerWaalsContact C-N 3.35Å; L150-E152 PolarHBondContact O-N 3.4Å; E152-S155 WeakPolarHBondContact CA-OG 3.4Å; E152-S155 PolarHBondContact O-N 3.49Å; E152-S155 PolarHBondContact O-OG 3.11Å; E152-S156 WeakPolarHBondContact O-CB 3.46Å; E152-S156 PolarHBondContact O-N 3.21Å; E152-S156 PolarHBondContact O-OG 3.42Å
153M98.3Very high97.7Very high0 Ų047.2 Ų47.20%024%0.235CC..Hα-helixtrans-60.4-46.6175.7-70.4172.7-171.700111.1K11 D12 Y15 I117 L141 L149 L150 S156 I158K11-M153 HydrophobicContact CB-SD 4.09Å; K11-M153 HydrophobicContact CD-SD 3.89Å; K11-M153 HydrophobicContact CG-CE 4.43Å; K11-M153 HydrophobicContact CG-SD 3.73Å; D12-M153 WeakPolarHBondContact OD1-CE 3.34Å; Y15-M153 HydrophobicContact CD1-CE 3.7Å; Y15-M153 HydrophobicContact CD1-CG 3.74Å; Y15-M153 HydrophobicContact CD2-CG 4.03Å; Y15-M153 HydrophobicContact CE1-CG 4.33Å; Y15-M153 HydrophobicContact CG-CE 4.11Å; Y15-M153 HydrophobicContact CG-CG 3.59Å; I117-M153 HydrophobicContact CD1-CE 4.4Å; L141-M153 HydrophobicContact CD1-CE 4.13Å; L149-M153 HydrophobicContact CB-CE 4.42Å; L149-M153 VanDerWaalsContact O-CG 3.23Å; L149-M153 WeakPolarHBondContact O-CG 3.33Å; L149-M153 PolarHBondContact O-N 2.83Å; L150-M153 PolarHBondContact O-N 3.18Å; M153-S156 PolarHBondContact O-N 3.28Å; M153-I158 HydrophobicContact CB-CB 4.42Å; M153-I158 HydrophobicContact CB-CD1 4.13Å; M153-I158 HydrophobicContact CG-CD1 4.13Å; M153-I158 WeakPolarHBondContact O-CB 3.5Å; M153-I158 PolarHBondContact O-N 3.34Å
154I98.3Very high97.7Very high29 Ų2941.7 Ų41.715%0.14921%0.21CC..Hα-helixtrans-61.2-52.5177.8-67.2162000110.5L150 R151 S156 N157 L180 D181 E184L150-I154 HydrophobicContact CD1-CD1 4.39Å; L150-I154 HydrophobicContact CG-CD1 4.09Å; L150-I154 WeakPolarHBondContact O-CD1 3.49Å; L150-I154 WeakPolarHBondContact O-CG1 3.44Å; L150-I154 PolarHBondContact O-N 2.76Å; R151-I154 PolarHBondContact O-N 3Å; I154-S156 PolarHBondContact O-N 2.91Å; I154-N157 PolarHBondContact O-N 3.1Å; I154-L180 HydrophobicContact CD1-CB 4.27Å; I154-L180 HydrophobicContact CG1-CB 3.88Å; I154-D181 HydrophobicContact CG2-CB 4.07Å; I154-E184 HydrophobicContact CD1-CB 3.69Å; I154-E184 HydrophobicContact CD1-CG 3.85Å
155S98.1Very high97.6Very high86 Ų8637.9 Ų37.960%0.60120%0.195SC*.Hα-helixtrans-67-22.5-179.857.70000113.8R151 E152 N157R151-S155 WeakPolarHBondContact O-CB 3.3Å; R151-S155 PolarHBondContact O-N 3.21Å; R151-S155 PolarHBondContact O-OG 3.04Å; E152-S155 WeakPolarHBondContact CA-OG 3.4Å; E152-S155 PolarHBondContact O-N 3.49Å; E152-S155 PolarHBondContact O-OG 3.11Å; S155-N157 PolarHBondContact O-N 3.37Å
156S97.9Very high97.5Very high32 Ų3235.2 Ų35.222%0.22419%0.185CC..THydrogen-bonded Turntrans-80.98.6171.7-60.50000113.5E152 M153 I154 I158 P213E152-S156 WeakPolarHBondContact O-CB 3.46Å; E152-S156 PolarHBondContact O-N 3.21Å; E152-S156 PolarHBondContact O-OG 3.42Å; M153-S156 PolarHBondContact O-N 3.28Å; I154-S156 PolarHBondContact O-N 2.91Å; S156-I158 VanDerWaalsContact C-N 3.34Å; S156-I158 PolarHBondContact O-N 3.1Å; S156-P213 WeakPolarHBondContact O-CD 3.32Å; S156-P213 VanDerWaalsContact O-CG 3.25Å; S156-P213 WeakPolarHBondContact O-CG 3.49Å
157N97.2Very high97.2Very high100 Ų10034.1 Ų34.154%0.53518%0.182SC..THydrogen-bonded Turntrans60.835.6-179.2-59.3-64.7000114.1I154 S155 Q159 P213I154-N157 PolarHBondContact O-N 3.1Å; S155-N157 PolarHBondContact O-N 3.37Å; N157-Q159 PolarHBondContact O-N 3.29Å; N157-P213 HydrophobicContact CB-CG 4.34Å
158I97.8Very high97Very high4 Ų434.8 Ų34.82%0.02119%0.187CC..  trans-77.6104.4166.3-64-178.9000108.4K11 C14 Y15 M18 M153 S156 A160 T209 C212K11-I158 HydrophobicContact CB-CG2 4.36Å; C14-I158 HydrophobicContact CB-CD1 4.42Å; Y15-I158 HydrophobicContact CD2-CD1 3.66Å; Y15-I158 HydrophobicContact CG-CD1 3.97Å; M18-I158 HydrophobicContact SD-CD1 3.94Å; M18-I158 HydrophobicContact SD-CG1 3.94Å; M153-I158 HydrophobicContact CB-CB 4.42Å; M153-I158 HydrophobicContact CB-CD1 4.13Å; M153-I158 HydrophobicContact CG-CD1 4.13Å; M153-I158 WeakPolarHBondContact O-CB 3.5Å; M153-I158 PolarHBondContact O-N 3.34Å; S156-I158 VanDerWaalsContact C-N 3.34Å; S156-I158 PolarHBondContact O-N 3.1Å; I158-A160 HydrophobicContact CG2-CB 4.04Å; I158-A160 PolarHBondContact O-N 2.86Å; I158-T209 HydrophobicContact CG2-CG2 3.89Å; I158-C212 HydrophobicContact CG1-CB 4.27Å
159Q97.3Very high96.7Very high83 Ų8332.2 Ų32.239%0.38818%0.178SC..EExtended strand (participates in β ladder)trans-86.480.9175.4-56.8-58.4-44.100108.9N157 L210 D211N157-Q159 PolarHBondContact O-N 3.29Å; Q159-L210 PolarHBondContact O-N 3.26Å; Q159-D211 WeakPolarHBondContact CA-O 3.2Å; Q159-D211 HydrophobicContact CB-CB 3.99Å; Q159-D211 WeakPolarHBondContact CB-O 3.41Å; Q159-D211 HydrophobicContact CG-CB 4.15Å; Q159-D211 PolarHBondContact N-O 3.39Å; Q159-D211 PolarHBondContact O-N 3.07Å
160A97.6Very high96.5Very high1 Ų132.4 Ų32.41%0.00818%0.179CC..EExtended strand (participates in β ladder)trans-106.9142.8175.800000111.9K11 I158 T179 L180 F208K11-A160 HydrophobicContact CB-CB 4.02Å; I158-A160 HydrophobicContact CG2-CB 4.04Å; I158-A160 PolarHBondContact O-N 2.86Å; A160-T179 CarbonylContact O-C 3.54Å; A160-T179 VanDerWaalsContact O-CA 3.3Å; A160-T179 WeakPolarHBondContact O-CA 3.11Å; A160-L180 HydrophobicContact CB-CD1 3.86Å; A160-L180 HydrophobicContact CB-CG 3.99Å; A160-L180 PolarHBondContact O-N 2.87Å; A160-F208 WeakPolarHBondContact CA-O 3.37Å
161M97.6Very high96.4Very high29 Ų2934.4 Ų34.414%0.14319%0.19CC..EExtended strand (participates in β ladder)trans-107.9140.3-179.5175.2-175.3-76.900109.9I163 G177 K178 T207 F208 L210 V221 L240 F242M161-I163 HydrophobicContact CG-CG2 4.42Å; M161-I163 PolarHBondContact O-N 2.84Å; M161-G177 WeakPolarHBondContact CE-O 3.23Å; M161-K178 CarbonylContact C-O 3.46Å; M161-K178 WeakPolarHBondContact CA-O 3.32Å; M161-T207 CarbonylContact O-C 3.42Å; M161-T207 WeakPolarHBondContact O-CA 3.26Å; M161-T207 WeakPolarHBondContact O-CB 3.15Å; M161-F208 PolarHBondContact N-O 2.83Å; M161-F208 PolarHBondContact O-N 3.09Å; M161-L210 HydrophobicContact CB-CD1 4.15Å; M161-L210 HydrophobicContact CE-CD1 3.81Å; M161-V221 HydrophobicContact CE-CG2 4.43Å; M161-L240 HydrophobicContact SD-CD1 4Å; M161-F242 HydrophobicContact SD-CE1 4.46Å
162I98.1Very high96.2Very high1 Ų129.9 Ų29.91%0.00517%0.174CC..EExtended strand (participates in β ladder)trans-69.1118.6169.5-55.4-65.9000109K164 V165 L176 G177 K178 L180 M183 Y205 T207I162-K164 WeakPolarHBondContact CG2-O 2.99Å; I162-V165 HydrophobicContact CG2-CG1 3.85Å; I162-L176 HydrophobicContact CG2-CD2 4.35Å; I162-G177 PolarHBondContact O-N 2.93Å; I162-K178 PolarHBondContact N-O 3.06Å; I162-L180 HydrophobicContact CD1-CD2 4.39Å; I162-M183 HydrophobicContact CG1-CG 3.86Å; I162-Y205 HydrophobicContact CD1-CD2 3.36Å; I162-Y205 HydrophobicContact CD1-CE2 3.61Å; I162-Y205 HydrophobicContact CD1-CG 4.04Å; I162-T207 HydrophobicContact CD1-CG2 3.84Å
163I96.8Very high96Very high0 Ų034.2 Ų34.20%020%0.199CC..EExtended strand (participates in β ladder)trans-114.7-8-179.359.4162.3000113.2V53 M161 E206 F208 Y239 L240 F242V53-I163 HydrophobicContact CB-CD1 4.17Å; V53-I163 HydrophobicContact CG1-CB 4.46Å; V53-I163 HydrophobicContact CG1-CD1 3.77Å; V53-I163 HydrophobicContact CG1-CG1 4.24Å; M161-I163 HydrophobicContact CG-CG2 4.42Å; M161-I163 PolarHBondContact O-N 2.84Å; I163-E206 HydrophobicContact CG1-CB 4.24Å; I163-E206 WeakPolarHBondContact CG1-O 3.16Å; I163-E206 PolarHBondContact N-O 3.16Å; I163-F208 HydrophobicContact CD1-CB 3.87Å; I163-F208 HydrophobicContact CG1-CB 4.33Å; I163-F208 HydrophobicContact CG2-CB 3.68Å; I163-Y239 CarbonylContact O-C 3.58Å; I163-Y239 WeakPolarHBondContact O-CA 3.02Å; I163-Y239 VanDerWaalsContact O-CB 3.26Å; I163-Y239 WeakPolarHBondContact O-CB 3.26Å; I163-L240 HydrophobicContact CB-CB 4.36Å; I163-L240 HydrophobicContact CG2-CD1 4.47Å; I163-L240 PolarHBondContact O-N 3.35Å; I163-F242 HydrophobicContact CG2-CE1 4.34Å; I163-F242 HydrophobicContact CG2-CE2 4.21Å; I163-F242 HydrophobicContact CG2-CZ 3.55Å
164K95.6Very high95.9Very high18 Ų1840.2 Ų40.28%0.07823%0.225CC..EExtended strand (participates in β ladder)trans-146.5145.6173.7-175.3-171.8-177.5178.70109.3E44 V53 I162 Y205 E206 A238E44-K164 WeakPolarHBondContact OE1-CE 3.34Å; E44-K164 IonicContact OE1-NZ 3.93Å; E44-K164 PolarHBondContact OE1-NZ 3.47Å; V53-K164 HydrophobicContact CG2-CD 4.08Å; I162-K164 WeakPolarHBondContact CG2-O 2.99Å; K164-Y205 WeakPolarHBondContact O-CA 3.36Å; K164-Y205 WeakPolarHBondContact O-CB 3.27Å; K164-E206 HydrophobicContact CB-CB 3.76Å; K164-E206 HydrophobicContact CB-CG 4.11Å; K164-E206 HydrophobicContact CD-CB 4.34Å; K164-E206 HydrophobicContact CD-CG 3.76Å; K164-E206 WeakPolarHBondContact CD-OE1 3.46Å; K164-E206 PolarHBondContact N-O 3.45Å; K164-E206 IonicContact NZ-OE1 2.74Å; K164-E206 PolarHBondContact NZ-OE1 3.3Å; K164-E206 PolarHBondContact O-N 3.12Å; K164-E206 VanDerWaalsContact O-N 3.1Å; K164-A238 CarbonylContact C-O 3.55Å; K164-A238 VanDerWaalsContact CA-O 3.32Å; K164-A238 WeakPolarHBondContact CA-O 3.19Å
165V95.8Very high95.9Very high0 Ų039.1 Ų39.10%022%0.219CC..EExtended strand (participates in β ladder)trans-131.3142.1166.2-64.20000109.5I162 L170 P172 H175 L176 V237 A238I162-V165 HydrophobicContact CG2-CG1 3.85Å; V165-L170 HydrophobicContact CB-CB 3.76Å; V165-L170 HydrophobicContact CB-CD1 4.19Å; V165-L170 HydrophobicContact CG1-CB 3.95Å; V165-L170 HydrophobicContact CG1-CD1 4.18Å; V165-P172 HydrophobicContact CG2-CB 4.15Å; V165-P172 HydrophobicContact CG2-CG 3.76Å; V165-H175 HydrophobicContact CG1-CB 4.23Å; V165-L176 HydrophobicContact CG1-CD2 4.16Å; V165-L176 HydrophobicContact CG2-CD2 4.33Å; V165-L176 HydrophobicContact CG2-CG 4.39Å; V165-V237 WeakPolarHBondContact O-CA 3.38Å; V165-A238 HydrophobicContact CG2-CB 4.35Å; V165-A238 PolarHBondContact N-O 2.93Å; V165-A238 PolarHBondContact O-N 2.83Å
166A94.1Very high95.9Very high32 Ų3236 Ų3626%0.26420%0.196SC..  trans-155.530.5-177.100000112.6E204 V237A166-E204 PolarHBondContact N-O 3.41Å; A166-V237 HydrophobicContact CB-CB 4.49Å; A166-V237 HydrophobicContact CB-CG1 4.11Å; A166-V237 HydrophobicContact CB-CG2 4Å
167A92.5Very high95.9Very high8 Ų836 Ų367%0.06620%0.2CC..SBendtrans-134.5156-177.200000112.9G169 L170 V196 E204A167-G169 PolarHBondContact O-N 3.49Å; A167-L170 HydrophobicContact CB-CD1 3.91Å; A167-L170 HydrophobicContact CB-CG 4.37Å; A167-L170 PolarHBondContact O-N 2.62Å; A167-V196 HydrophobicContact CB-CG2 4.47Å; A167-E204 HydrophobicContact CB-CB 3.73Å; A167-E204 HydrophobicContact CB-CG 3.96Å
168L91.5Very high95.9Very high70 Ų7034.7 Ų34.737%0.36619%0.19SC..THydrogen-bonded Turntrans-54.8126174.8176.762.3000110.9L170 Y194 F234L168-L170 VanDerWaalsContact C-N 3.29Å; L168-Y194 HydrophobicContact CD2-CD1 3.69Å; L168-Y194 HydrophobicContact CD2-CE1 3.95Å; L168-Y194 HydrophobicContact CD2-CG 4.12Å; L168-Y194 HydrophobicContact CG-CD1 4.34Å; L168-Y194 HydrophobicContact CG-CE1 4.43Å; L168-Y194 HydrophobicContact CG-CG 4.41Å; L168-F234 WeakPolarHBondContact CA-O 3.31Å; L168-F234 HydrophobicContact CD1-CB 4.03Å; L168-F234 WeakPolarHBondContact CD1-O 3.48Å
169G92.9Very high95.9Very high23 Ų2336.4 Ų36.424%0.23720%0.2CC..THydrogen-bonded Turntrans81.40.3-179.500000114.5A167 Y186A167-G169 PolarHBondContact O-N 3.49Å; G169-Y186 WeakPolarHBondContact O-CE1 3.23Å; G169-Y186 PolarHBondContact O-OH 3.25Å
170L94.9Very high95.9Very high3 Ų332.5 Ų32.52%0.01618%0.182CC..  trans-90.1107.5163.3-66175.7000110.1V165 A167 L168 M183 Y186 L187 L190 E204 Y205V165-L170 HydrophobicContact CB-CB 3.76Å; V165-L170 HydrophobicContact CB-CD1 4.19Å; V165-L170 HydrophobicContact CG1-CB 3.95Å; V165-L170 HydrophobicContact CG1-CD1 4.18Å; A167-L170 HydrophobicContact CB-CD1 3.91Å; A167-L170 HydrophobicContact CB-CG 4.37Å; A167-L170 PolarHBondContact O-N 2.62Å; L168-L170 VanDerWaalsContact C-N 3.29Å; L170-M183 HydrophobicContact CD2-CE 4.19Å; L170-Y186 HydrophobicContact CD2-CD1 4.49Å; L170-Y186 HydrophobicContact CD2-CE1 4.14Å; L170-L187 HydrophobicContact CD2-CD2 4.13Å; L170-L190 HydrophobicContact CD2-CD2 3.76Å; L170-L190 HydrophobicContact CG-CD2 3.81Å; L170-E204 WeakPolarHBondContact CD1-O 3.33Å; L170-Y205 HydrophobicContact CD1-CD1 4.42Å
171D94.5Very high95.8Very high44 Ų4437.3 Ų37.324%0.23521%0.208CC..  trans-87.8119.5175.5-176-29.2000111.5D173 K174 H175D171-D173 VanDerWaalsContact C-N 3.35Å; D171-D173 PolarHBondContact O-N 3.13Å; D171-D173 PolarHBondContact OD1-N 3.35Å; D171-K174 HydrophobicContact CB-CB 4.11Å; D171-K174 HydrophobicContact CB-CD 4.18Å; D171-K174 HydrophobicContact CB-CG 4.26Å; D171-K174 PolarHBondContact O-N 2.91Å; D171-K174 WeakPolarHBondContact OD2-CD 3.42Å; D171-K174 VanDerWaalsContact OD2-CE 3.31Å; D171-K174 WeakPolarHBondContact OD2-CE 3.25Å; D171-K174 IonicContact OD2-NZ 2.92Å; D171-K174 PolarHBondContact OD2-NZ 3.12Å; D171-H175 PolarHBondContact N-CE1 3.33Å; D171-H175 VanDerWaalsContact N-CE1 3.32Å; D171-H175 PolarHBondContact N-ND1 2.68Å; D171-H175 WeakPolarHBondContact O-CB 3.37Å; D171-H175 PolarHBondContact O-N 3.04Å; D171-H175 PolarHBondContact O-ND1 3.26Å; D171-H175 VanDerWaalsContact O-ND1 3.1Å
172P95.2Very high95.9Very high9 Ų941.5 Ų41.56%0.05823%0.227CC..Hα-helixtrans-54.6-44.8179.4-27.535.3000114V165 K174 H175 L176 M228 P236 A238V165-P172 HydrophobicContact CG2-CB 4.15Å; V165-P172 HydrophobicContact CG2-CG 3.76Å; P172-K174 PolarHBondContact O-N 2.95Å; P172-H175 PolarHBondContact O-N 2.95Å; P172-L176 HydrophobicContact CB-CD1 3.97Å; P172-L176 HydrophobicContact CB-CG 4.44Å; P172-L176 WeakPolarHBondContact O-CB 3.21Å; P172-L176 WeakPolarHBondContact O-CG 3.37Å; P172-L176 PolarHBondContact O-N 3.12Å; P172-L176 VanDerWaalsContact O-N 3.14Å; P172-M228 HydrophobicContact CB-SD 4.31Å; P172-M228 HydrophobicContact CG-CE 4.37Å; P172-M228 HydrophobicContact CG-SD 4.21Å; P172-P236 HydrophobicContact CG-CB 4.06Å; P172-P236 HydrophobicContact CG-CG 4Å; P172-A238 HydrophobicContact CB-CB 3.62Å; P172-A238 HydrophobicContact CG-CB 3.54Å
173D94.1Very high95.9Very high146 Ų14641.5 Ų41.578%0.78123%0.227SC*.Hα-helixtrans-69.5-22.6-174.7-66.5-30.1000112D171D171-D173 VanDerWaalsContact C-N 3.35Å; D171-D173 PolarHBondContact O-N 3.13Å; D171-D173 PolarHBondContact OD1-N 3.35Å
174K96.1Very high95.9Very high127 Ų12743.1 Ų43.155%0.55224%0.235SC*.Hα-helixtrans-101.3-24.2-178.2-63.8-178.2-173.3126.60113.9D171 P172 K178D171-K174 HydrophobicContact CB-CB 4.11Å; D171-K174 HydrophobicContact CB-CD 4.18Å; D171-K174 HydrophobicContact CB-CG 4.26Å; D171-K174 PolarHBondContact O-N 2.91Å; D171-K174 WeakPolarHBondContact OD2-CD 3.42Å; D171-K174 VanDerWaalsContact OD2-CE 3.31Å; D171-K174 WeakPolarHBondContact OD2-CE 3.25Å; D171-K174 IonicContact OD2-NZ 2.92Å; D171-K174 PolarHBondContact OD2-NZ 3.12Å; P172-K174 PolarHBondContact O-N 2.95Å; K174-K178 VanDerWaalsContact O-CD 3.24Å; K174-K178 WeakPolarHBondContact O-CD 3.24Å; K174-K178 WeakPolarHBondContact O-CE 3.31Å; K174-K178 PolarHBondContact O-NZ 2.78Å
175H97.7Very high96Very high6 Ų646.5 Ų46.53%0.02826%0.258CS..Hα-helixtrans-117.9-31.2-167-56.2136.4000114.3V165 D171 P172 G177 K178 M183 Y186V165-H175 HydrophobicContact CG1-CB 4.23Å; D171-H175 PolarHBondContact N-CE1 3.33Å; D171-H175 VanDerWaalsContact N-CE1 3.32Å; D171-H175 PolarHBondContact N-ND1 2.68Å; D171-H175 WeakPolarHBondContact O-CB 3.37Å; D171-H175 PolarHBondContact O-N 3.04Å; D171-H175 PolarHBondContact O-ND1 3.26Å; D171-H175 VanDerWaalsContact O-ND1 3.1Å; P172-H175 PolarHBondContact O-N 2.95Å; H175-G177 PolarHBondContact O-N 3.21Å; H175-K178 WeakPolarHBondContact O-CB 3.5Å; H175-K178 PolarHBondContact O-N 3.26Å; H175-M183 HydrophobicContact CB-CE 3.81Å; H175-M183 HydrophobicContact CB-SD 4.06Å; H175-Y186 AromaticContact CE1-CE1 3.31Å; H175-Y186 WeakPolarHBondContact CE1-CE1 3.36Å; H175-Y186 AromaticContact CE1-CZ 3.56Å; H175-Y186 AromaticContact NE2-CD1 3.78Å; H175-Y186 AromaticContact NE2-CE1 3.44Å; H175-Y186 WeakPolarHBondContact NE2-CE1 3.28Å; H175-Y186 AromaticContact NE2-CZ 3.63Å
176L97.9Very high96.1Very high21 Ų2150.3 Ų50.311%0.1127%0.273CS..THydrogen-bonded Turntrans-60.7136.6173.9-68.9177.6000109.8I162 V165 P172 K178 V226 A238 L240I162-L176 HydrophobicContact CG2-CD2 4.35Å; V165-L176 HydrophobicContact CG1-CD2 4.16Å; V165-L176 HydrophobicContact CG2-CD2 4.33Å; V165-L176 HydrophobicContact CG2-CG 4.39Å; P172-L176 HydrophobicContact CB-CD1 3.97Å; P172-L176 HydrophobicContact CB-CG 4.44Å; P172-L176 WeakPolarHBondContact O-CB 3.21Å; P172-L176 WeakPolarHBondContact O-CG 3.37Å; P172-L176 PolarHBondContact O-N 3.12Å; P172-L176 VanDerWaalsContact O-N 3.14Å; L176-K178 VanDerWaalsContact C-N 3.28Å; L176-K178 PolarHBondContact O-N 3.49Å; L176-V226 HydrophobicContact CD1-CB 4.49Å; L176-V226 HydrophobicContact CD1-CG1 3.75Å; L176-V226 HydrophobicContact CD1-CG2 4.08Å; L176-A238 HydrophobicContact CD1-CB 4.02Å; L176-L240 HydrophobicContact CB-CD1 4.32Å; L176-L240 HydrophobicContact CB-CD2 4.05Å; L176-L240 HydrophobicContact CB-CG 3.98Å; L176-L240 HydrophobicContact CD1-CD2 4.36Å; L176-L240 HydrophobicContact CD1-CG 4.46Å; L176-L240 HydrophobicContact CD2-CG 4.34Å; L176-L240 HydrophobicContact CG-CG 4.5Å
177G97.6Very high96.3Very high30 Ų3048.8 Ų48.831%0.30926%0.261SS..THydrogen-bonded Turntrans84.9-9.7-179.100000115M161 I162 H175M161-G177 WeakPolarHBondContact CE-O 3.23Å; I162-G177 PolarHBondContact O-N 2.93Å; H175-G177 PolarHBondContact O-N 3.21Å
178K98.3Very high96.5Very high74 Ų7449.1 Ų49.132%0.32226%0.261SS..  trans-75.2148174.6-74-174170.7161.20111.9M161 I162 K174 H175 L176 Q182 M183M161-K178 CarbonylContact C-O 3.46Å; M161-K178 WeakPolarHBondContact CA-O 3.32Å; I162-K178 PolarHBondContact N-O 3.06Å; K174-K178 VanDerWaalsContact O-CD 3.24Å; K174-K178 WeakPolarHBondContact O-CD 3.24Å; K174-K178 WeakPolarHBondContact O-CE 3.31Å; K174-K178 PolarHBondContact O-NZ 2.78Å; H175-K178 WeakPolarHBondContact O-CB 3.5Å; H175-K178 PolarHBondContact O-N 3.26Å; L176-K178 VanDerWaalsContact C-N 3.28Å; L176-K178 PolarHBondContact O-N 3.49Å; K178-Q182 HydrophobicContact CB-CB 4.29Å; K178-Q182 HydrophobicContact CD-CB 4.48Å; K178-M183 HydrophobicContact CB-CG 3.62Å; K178-M183 HydrophobicContact CB-SD 3.91Å; K178-M183 HydrophobicContact CD-CG 4.23Å; K178-M183 HydrophobicContact CD-SD 3.5Å; K178-M183 VanDerWaalsContact CD-SD 3.5Å; K178-M183 HydrophobicContact CG-SD 4.33Å
179T97.9Very high96.8Very high39 Ų3951.4 Ų51.424%0.23927%0.27CS..BIsolated β-bridgetrans-75.4161.8172.860.40000111.7A160 D181 Q182 M183A160-T179 CarbonylContact O-C 3.54Å; A160-T179 VanDerWaalsContact O-CA 3.3Å; A160-T179 WeakPolarHBondContact O-CA 3.11Å; T179-D181 VanDerWaalsContact C-N 3.29Å; T179-D181 PolarHBondContact O-N 3.27Å; T179-Q182 PolarHBondContact O-N 2.83Å; T179-Q182 VanDerWaalsContact OG1-CD 3.32Å; T179-Q182 VanDerWaalsContact OG1-CG 3.25Å; T179-Q182 WeakPolarHBondContact OG1-CG 2.93Å; T179-Q182 PolarHBondContact OG1-N 2.89Å; T179-Q182 PolarHBondContact OG1-OE1 3.47Å; T179-M183 WeakPolarHBondContact O-CG 3.5Å; T179-M183 PolarHBondContact O-N 3.07Å; T179-M183 VanDerWaalsContact O-N 3.11Å
180L96.7Very high97Very high2 Ų250.6 Ų50.61%0.0126%0.26CS..Hα-helixtrans-55.3-43.7173.5-68.9-176.9000112.7K11 L150 I154 A160 I162 Q182 M183 E184 T207K11-L180 HydrophobicContact CB-CD1 3.97Å; K11-L180 HydrophobicContact CD-CD1 3.89Å; K11-L180 HydrophobicContact CD-CD2 3.9Å; K11-L180 HydrophobicContact CG-CD1 4.49Å; L150-L180 HydrophobicContact CD1-CB 4.42Å; L150-L180 HydrophobicContact CD1-CD1 4.26Å; L150-L180 HydrophobicContact CD1-CD2 4.03Å; L150-L180 HydrophobicContact CD1-CG 4.48Å; I154-L180 HydrophobicContact CD1-CB 4.27Å; I154-L180 HydrophobicContact CG1-CB 3.88Å; A160-L180 HydrophobicContact CB-CD1 3.86Å; A160-L180 HydrophobicContact CB-CG 3.99Å; A160-L180 PolarHBondContact O-N 2.87Å; I162-L180 HydrophobicContact CD1-CD2 4.39Å; L180-Q182 PolarHBondContact O-N 3.05Å; L180-M183 CarbonylContact O-C 3.55Å; L180-M183 PolarHBondContact O-N 3.34Å; L180-M183 VanDerWaalsContact O-N 3.07Å; L180-E184 PolarHBondContact O-N 2.97Å; L180-T207 HydrophobicContact CD2-CG2 3.92Å
181D96.8Very high97Very high101 Ų10151.9 Ų51.954%0.5427%0.27SS..Hα-helixtrans-60.4-44.7179.3-17641.8000111.6I154 T179 M183I154-D181 HydrophobicContact CG2-CB 4.07Å; T179-D181 VanDerWaalsContact C-N 3.29Å; T179-D181 PolarHBondContact O-N 3.27Å; D181-M183 PolarHBondContact O-N 3.09Å
182Q98.1Very high97.1Very high117 Ų11757.3 Ų57.355%0.54729%0.291SS..Hα-helixtrans-64.9-26.4175.6-71.1169-39.800113.4K178 T179 L180K178-Q182 HydrophobicContact CB-CB 4.29Å; K178-Q182 HydrophobicContact CD-CB 4.48Å; T179-Q182 PolarHBondContact O-N 2.83Å; T179-Q182 VanDerWaalsContact OG1-CD 3.32Å; T179-Q182 VanDerWaalsContact OG1-CG 3.25Å; T179-Q182 WeakPolarHBondContact OG1-CG 2.93Å; T179-Q182 PolarHBondContact OG1-N 2.89Å; T179-Q182 PolarHBondContact OG1-OE1 3.47Å; L180-Q182 PolarHBondContact O-N 3.05Å
183M98.3Very high97.1Very high1 Ų163.2 Ų63.21%0.00532%0.316CS..Hα-helixtrans-96-20.9-176-73.1-63-61.100113.7I162 L170 H175 K178 T179 L180 D181 Y186 L187I162-M183 HydrophobicContact CG1-CG 3.86Å; L170-M183 HydrophobicContact CD2-CE 4.19Å; H175-M183 HydrophobicContact CB-CE 3.81Å; H175-M183 HydrophobicContact CB-SD 4.06Å; K178-M183 HydrophobicContact CB-CG 3.62Å; K178-M183 HydrophobicContact CB-SD 3.91Å; K178-M183 HydrophobicContact CD-CG 4.23Å; K178-M183 HydrophobicContact CD-SD 3.5Å; K178-M183 VanDerWaalsContact CD-SD 3.5Å; K178-M183 HydrophobicContact CG-SD 4.33Å; T179-M183 WeakPolarHBondContact O-CG 3.5Å; T179-M183 PolarHBondContact O-N 3.07Å; T179-M183 VanDerWaalsContact O-N 3.11Å; L180-M183 CarbonylContact O-C 3.55Å; L180-M183 PolarHBondContact O-N 3.34Å; L180-M183 VanDerWaalsContact O-N 3.07Å; D181-M183 PolarHBondContact O-N 3.09Å; M183-Y186 HydrophobicContact CE-CD1 3.87Å; M183-Y186 WeakPolarHBondContact O-CB 3.39Å; M183-Y186 PolarHBondContact O-N 3.28Å; M183-L187 HydrophobicContact CB-CD1 3.93Å; M183-L187 HydrophobicContact CB-CG 4.2Å; M183-L187 HydrophobicContact CE-CD2 4.21Å; M183-L187 HydrophobicContact CE-CG 4.32Å; M183-L187 WeakPolarHBondContact O-CG 3.45Å; M183-L187 PolarHBondContact O-N 2.85Å
184E97.9Very high97.1Very high35 Ų3561.1 Ų61.116%0.16430%0.298CS..Hα-helixtrans-52.1-51.1-172.9-171-138.7162.600113.2L150 R151 I154 L180 Y186 L187 I188L150-E184 HydrophobicContact CD2-CB 4.15Å; L150-E184 HydrophobicContact CD2-CG 3.75Å; L150-E184 HydrophobicContact CG-CG 4.17Å; R151-E184 WeakPolarHBondContact CG-OE1 3.39Å; R151-E184 IonicContact CZ-OE1 3.74Å; R151-E184 IonicContact NE-OE1 2.76Å; R151-E184 PolarHBondContact NE-OE1 3.14Å; R151-E184 IonicContact NH2-OE1 3.62Å; I154-E184 HydrophobicContact CD1-CB 3.69Å; I154-E184 HydrophobicContact CD1-CG 3.85Å; L180-E184 PolarHBondContact O-N 2.97Å; E184-Y186 VanDerWaalsContact C-N 3.25Å; E184-Y186 PolarHBondContact O-N 3.4Å; E184-L187 PolarHBondContact O-N 3.45Å; E184-I188 HydrophobicContact CG-CD1 3.87Å; E184-I188 WeakPolarHBondContact O-CG1 3.06Å; E184-I188 PolarHBondContact O-N 3.1Å; E184-I188 VanDerWaalsContact O-N 3.11Å; E184-I188 WeakPolarHBondContact OE1-CD1 3.44Å
185P97.9Very high96.9Very high88 Ų8857.7 Ų57.757%0.57130%0.298SS*.Hα-helixtrans-61.9-37.8-178.9-21.234.6000112E189P185-E189 PolarHBondContact O-N 3.45Å; P185-E189 VanDerWaalsContact O-N 3.14Å
186Y98Very high96.7Very high80 Ų8057.9 Ų57.931%0.31430%0.3SS..Hα-helixtrans-70.2-44-179.4-172.3-98.7000112G169 L170 H175 M183 E184 I188 E189 L190G169-Y186 WeakPolarHBondContact O-CE1 3.23Å; G169-Y186 PolarHBondContact O-OH 3.25Å; L170-Y186 HydrophobicContact CD2-CD1 4.49Å; L170-Y186 HydrophobicContact CD2-CE1 4.14Å; H175-Y186 AromaticContact CE1-CE1 3.31Å; H175-Y186 WeakPolarHBondContact CE1-CE1 3.36Å; H175-Y186 AromaticContact CE1-CZ 3.56Å; H175-Y186 AromaticContact NE2-CD1 3.78Å; H175-Y186 AromaticContact NE2-CE1 3.44Å; H175-Y186 WeakPolarHBondContact NE2-CE1 3.28Å; H175-Y186 AromaticContact NE2-CZ 3.63Å; M183-Y186 HydrophobicContact CE-CD1 3.87Å; M183-Y186 WeakPolarHBondContact O-CB 3.39Å; M183-Y186 PolarHBondContact O-N 3.28Å; E184-Y186 VanDerWaalsContact C-N 3.25Å; E184-Y186 PolarHBondContact O-N 3.4Å; Y186-I188 VanDerWaalsContact C-N 3.33Å; Y186-I188 PolarHBondContact O-N 3.48Å; Y186-E189 PolarHBondContact O-N 2.69Å; Y186-L190 HydrophobicContact CE1-CD1 4.25Å; Y186-L190 HydrophobicContact CE1-CD2 4.19Å; Y186-L190 VanDerWaalsContact O-CB 3.27Å; Y186-L190 WeakPolarHBondContact O-CB 3.23Å; Y186-L190 PolarHBondContact O-N 2.68Å
187L97.8Very high96.5Very high1 Ų160 Ų601%0.00531%0.309CS..Hα-helixtrans-63.9-38.7179.5-68.3172.7000111.7L150 L170 M183 E184 L190 S191 Y205L150-L187 HydrophobicContact CD2-CD1 4.14Å; L170-L187 HydrophobicContact CD2-CD2 4.13Å; M183-L187 HydrophobicContact CB-CD1 3.93Å; M183-L187 HydrophobicContact CB-CG 4.2Å; M183-L187 HydrophobicContact CE-CD2 4.21Å; M183-L187 HydrophobicContact CE-CG 4.32Å; M183-L187 WeakPolarHBondContact O-CG 3.45Å; M183-L187 PolarHBondContact O-N 2.85Å; E184-L187 PolarHBondContact O-N 3.45Å; L187-L190 PolarHBondContact O-N 3.24Å; L187-S191 WeakPolarHBondContact O-CB 3.24Å; L187-S191 PolarHBondContact O-N 2.91Å; L187-Y205 HydrophobicContact CD1-CE1 3.87Å; L187-Y205 HydrophobicContact CD2-CD1 4.02Å; L187-Y205 HydrophobicContact CD2-CE1 3.76Å; L187-Y205 HydrophobicContact CG-CE1 4.45Å
188I97.4Very high96.5Very high15 Ų1558.9 Ų58.98%0.07730%0.296CS..Hα-helixtrans-65.3-43.4174.9-66.7166.4000110.9E147 E184 Y186 K192 V198E147-I188 HydrophobicContact CG-CG1 4.31Å; E184-I188 HydrophobicContact CG-CD1 3.87Å; E184-I188 WeakPolarHBondContact O-CG1 3.06Å; E184-I188 PolarHBondContact O-N 3.1Å; E184-I188 VanDerWaalsContact O-N 3.11Å; E184-I188 WeakPolarHBondContact OE1-CD1 3.44Å; Y186-I188 VanDerWaalsContact C-N 3.33Å; Y186-I188 PolarHBondContact O-N 3.48Å; I188-K192 HydrophobicContact CG2-CD 4.41Å; I188-K192 WeakPolarHBondContact O-CG 3.32Å; I188-K192 PolarHBondContact O-N 2.96Å; I188-V198 HydrophobicContact CG1-CG1 4.27Å
189E97.3Very high96.4Very high118 Ų11855.4 Ų55.455%0.55128%0.281SS*.Hα-helixtrans-63.2-45.7176-172.1-172155.700111.3P185 Y186 S191 K192 K193P185-E189 PolarHBondContact O-N 3.45Å; P185-E189 VanDerWaalsContact O-N 3.14Å; Y186-E189 PolarHBondContact O-N 2.69Å; E189-S191 VanDerWaalsContact C-N 3.3Å; E189-S191 PolarHBondContact O-N 3.38Å; E189-K192 PolarHBondContact O-N 2.81Å; E189-K192 VanDerWaalsContact O-N 3.16Å; E189-K193 WeakPolarHBondContact O-CB 3.33Å; E189-K193 PolarHBondContact O-N 3.3Å
190L95.8Very high96.3Very high5 Ų553.9 Ų53.93%0.02627%0.273CS..Hα-helixtrans-61-41.1-180-164.473.3000111.4L170 Y186 L187 K193 Y194 V196L170-L190 HydrophobicContact CD2-CD2 3.76Å; L170-L190 HydrophobicContact CG-CD2 3.81Å; Y186-L190 HydrophobicContact CE1-CD1 4.25Å; Y186-L190 HydrophobicContact CE1-CD2 4.19Å; Y186-L190 VanDerWaalsContact O-CB 3.27Å; Y186-L190 WeakPolarHBondContact O-CB 3.23Å; Y186-L190 PolarHBondContact O-N 2.68Å; L187-L190 PolarHBondContact O-N 3.24Å; L190-K193 PolarHBondContact O-N 2.96Å; L190-Y194 HydrophobicContact CD1-CD2 3.41Å; L190-Y194 VanDerWaalsContact CD1-CD2 3.41Å; L190-Y194 HydrophobicContact CD1-CE2 3.68Å; L190-Y194 HydrophobicContact CG-CD2 4.1Å; L190-Y194 PolarHBondContact O-N 3.01Å; L190-V196 HydrophobicContact CD2-CB 4.21Å; L190-V196 HydrophobicContact CD2-CG1 3.97Å; L190-V196 HydrophobicContact CD2-CG2 4.07Å; L190-V196 HydrophobicContact CG-CB 4.21Å; L190-V196 HydrophobicContact CG-CG1 4.49Å; L190-V196 HydrophobicContact CG-CG2 4.02Å
191S96.3Very high96Very high31 Ų3154.7 Ų54.722%0.21728%0.277CS..Hα-helixtrans-59.3-46.9173.7-170.30000112.2L187 E189 K193 G195 V196L187-S191 WeakPolarHBondContact O-CB 3.24Å; L187-S191 PolarHBondContact O-N 2.91Å; E189-S191 VanDerWaalsContact C-N 3.3Å; E189-S191 PolarHBondContact O-N 3.38Å; S191-K193 VanDerWaalsContact C-N 3.27Å; S191-K193 PolarHBondContact O-N 2.85Å; S191-G195 WeakPolarHBondContact O-CA 3.47Å; S191-G195 PolarHBondContact O-N 3.16Å; S191-V196 VanDerWaalsContact CA-O 3.24Å; S191-V196 WeakPolarHBondContact CA-O 3.37Å; S191-V196 WeakPolarHBondContact CB-O 3.49Å; S191-V196 PolarHBondContact OG-O 3.33Å
192K96.3Very high95.5Very high158 Ų15854 Ų5469%0.68729%0.294SS*.Hα-helixtrans-63.4-33.6177.6-70.4169-176.5170.60112.9I188 E189I188-K192 HydrophobicContact CG2-CD 4.41Å; I188-K192 WeakPolarHBondContact O-CG 3.32Å; I188-K192 PolarHBondContact O-N 2.96Å; E189-K192 PolarHBondContact O-N 2.81Å; E189-K192 VanDerWaalsContact O-N 3.16Å
193K95.1Very high95.1Very high132 Ų13249.8 Ų49.857%0.57428%0.282SS*.Hα-helixtrans-85.3-40.7-174.4-169.5174.7-180-165.60113.5E189 L190 S191E189-K193 WeakPolarHBondContact O-CB 3.33Å; E189-K193 PolarHBondContact O-N 3.3Å; L190-K193 PolarHBondContact O-N 2.96Å; S191-K193 VanDerWaalsContact C-N 3.27Å; S191-K193 PolarHBondContact O-N 2.85Å
194Y93Very high94.9Very high103 Ų10351.2 Ų51.240%0.40429%0.289SS..Hα-helixtrans-125-2.5-170.4-57.6-63.5000113.9L168 L190 V196L168-Y194 HydrophobicContact CD2-CD1 3.69Å; L168-Y194 HydrophobicContact CD2-CE1 3.95Å; L168-Y194 HydrophobicContact CD2-CG 4.12Å; L168-Y194 HydrophobicContact CG-CD1 4.34Å; L168-Y194 HydrophobicContact CG-CE1 4.43Å; L168-Y194 HydrophobicContact CG-CG 4.41Å; L190-Y194 HydrophobicContact CD1-CD2 3.41Å; L190-Y194 VanDerWaalsContact CD1-CD2 3.41Å; L190-Y194 HydrophobicContact CD1-CE2 3.68Å; L190-Y194 HydrophobicContact CG-CD2 4.1Å; L190-Y194 PolarHBondContact O-N 3.01Å; Y194-V196 VanDerWaalsContact C-N 3.27Å; Y194-V196 PolarHBondContact O-N 3.03Å
195G92.6Very high94.8Very high55 Ų5549.9 Ų49.957%0.56728%0.282SS*.  trans76.312.9-178.700000114.5S191S191-G195 WeakPolarHBondContact O-CA 3.47Å; S191-G195 PolarHBondContact O-N 3.16Å
196V92.9Very high94.7Very high9 Ų946.9 Ų46.96%0.05526%0.26CS..  trans-59.3141.2175.6175.90000109.7A167 L190 S191 Y194 V198 E204A167-V196 HydrophobicContact CB-CG2 4.47Å; L190-V196 HydrophobicContact CD2-CB 4.21Å; L190-V196 HydrophobicContact CD2-CG1 3.97Å; L190-V196 HydrophobicContact CD2-CG2 4.07Å; L190-V196 HydrophobicContact CG-CB 4.21Å; L190-V196 HydrophobicContact CG-CG1 4.49Å; L190-V196 HydrophobicContact CG-CG2 4.02Å; S191-V196 VanDerWaalsContact CA-O 3.24Å; S191-V196 WeakPolarHBondContact CA-O 3.37Å; S191-V196 WeakPolarHBondContact CB-O 3.49Å; S191-V196 PolarHBondContact OG-O 3.33Å; Y194-V196 VanDerWaalsContact C-N 3.27Å; Y194-V196 PolarHBondContact O-N 3.03Å; V196-V198 PolarHBondContact O-N 3.32Å; V196-E204 VanDerWaalsContact CA-OE1 3.3Å; V196-E204 WeakPolarHBondContact CA-OE1 3.44Å; V196-E204 HydrophobicContact CG1-CB 4.31Å; V196-E204 HydrophobicContact CG1-CG 4.29Å; V196-E204 WeakPolarHBondContact CG1-OE2 3.49Å
197H95.1Very high94.7Very high67 Ų6743.2 Ų43.231%0.3125%0.246SC..  trans-71.8123.8175.5-69.8-61.8000111.2Q146 C199 G200 E201 E204Q146-H197 PolarHBondContact NE2-ND1 2.8Å; H197-C199 PolarHBondContact O-N 3.48Å; H197-G200 PolarHBondContact O-N 2.84Å; H197-E201 HydrophobicContact CB-CB 3.81Å; H197-E201 HydrophobicContact CB-CG 4.41Å; H197-E201 PolarHBondContact CD2-O 2.99Å; H197-E204 VanDerWaalsContact CA-OE2 3.29Å; H197-E204 WeakPolarHBondContact CA-OE2 3.43Å; H197-E204 VanDerWaalsContact CB-OE2 3.26Å; H197-E204 WeakPolarHBondContact CB-OE2 3.5Å; H197-E204 IonicContact CD2-OE1 3.76Å; H197-E204 VanDerWaalsContact N-CD 3.25Å; H197-E204 PolarHBondContact N-OE1 3.05Å; H197-E204 PolarHBondContact N-OE2 3.27Å; H197-E204 VanDerWaalsContact O-OE2 3.05Å
198V96.8Very high94.7Very high5 Ų543.1 Ų43.13%0.0325%0.246CC..THydrogen-bonded Turntrans-59.1-35.5-177.7176.50000111.6Q146 E147 L150 I188 V196 G200 Y205Q146-V198 HydrophobicContact CB-CB 4.11Å; Q146-V198 VanDerWaalsContact OE1-N 3.14Å; E147-V198 HydrophobicContact CG-CG1 4.41Å; E147-V198 HydrophobicContact CG-CG2 4.04Å; L150-V198 HydrophobicContact CB-CG1 4.13Å; L150-V198 HydrophobicContact CD2-CG1 3.51Å; L150-V198 HydrophobicContact CG-CG1 4.45Å; I188-V198 HydrophobicContact CG1-CG1 4.27Å; V196-V198 PolarHBondContact O-N 3.32Å; V198-G200 VanDerWaalsContact C-N 3.33Å; V198-Y205 WeakPolarHBondContact O-CE1 3.17Å; V198-Y205 PolarHBondContact O-OH 3.43Å
199C96.8Very high94.7Very high1 Ų142.4 Ų42.41%0.00724%0.242CC..THydrogen-bonded Turntrans-86.85.3175-73.30000114.1K11 I117 Q146 H197 E201 Y205K11-C199 WeakPolarHBondContact CE-O 3.49Å; K11-C199 PolarHBondContact NZ-O 2.73Å; I117-C199 HydrophobicContact CD1-CB 3.7Å; Q146-C199 HydrophobicContact CB-CB 4.27Å; Q146-C199 HydrophobicContact CG-CB 4.3Å; Q146-C199 PolarHBondContact O-SG 3.21Å; Q146-C199 VanDerWaalsContact OE1-N 3.09Å; H197-C199 PolarHBondContact O-N 3.48Å; C199-E201 VanDerWaalsContact C-N 3.33Å; C199-Y205 VanDerWaalsContact C-OH 3.27Å; C199-Y205 WeakPolarHBondContact CA-OH 3.36Å
200G94.6Very high94.7Very high7 Ų738.1 Ų38.17%0.07222%0.223CC..  trans73.921.9178.300000114.3H197 V198 G203 E204 Y205H197-G200 PolarHBondContact O-N 2.84Å; V198-G200 VanDerWaalsContact C-N 3.33Å; G200-G203 PolarHBondContact O-N 2.84Å; G200-E204 PolarHBondContact O-N 2.72Å; G200-Y205 VanDerWaalsContact N-CE1 3.25Å
201E92.3Very high94.8Very high19 Ų1939.7 Ų39.79%0.08923%0.231CC..THydrogen-bonded Turntrans-56.6142.7176.4-63.3-65.5112.800110.7I117 L118 H197 C199 G203I117-E201 HydrophobicContact CB-CG 4.42Å; I117-E201 WeakPolarHBondContact CB-OE1 3.44Å; L118-E201 HydrophobicContact CB-CB 4.37Å; L118-E201 HydrophobicContact CB-CG 3.83Å; L118-E201 WeakPolarHBondContact CB-OE2 3.18Å; L118-E201 PolarHBondContact N-OE2 2.84Å; H197-E201 HydrophobicContact CB-CB 3.81Å; H197-E201 HydrophobicContact CB-CG 4.41Å; H197-E201 PolarHBondContact CD2-O 2.99Å; C199-E201 VanDerWaalsContact C-N 3.33Å; E201-G203 VanDerWaalsContact C-N 3.3Å
202G85.6Confident94.8Very high88 Ų8838.3 Ų38.391%0.90722%0.222SC*.THydrogen-bonded Turntrans824.8-175.200000114.7
203G89.3Confident94.8Very high28 Ų2834.2 Ų34.229%0.28921%0.211SC..THydrogen-bonded Turntrans88.415.8173.600000114.3G200 E201 Y205G200-G203 PolarHBondContact O-N 2.84Å; E201-G203 VanDerWaalsContact C-N 3.3Å; G203-Y205 PolarHBondContact O-N 2.94Å
204E93.8Very high94.9Very high31 Ų3129.4 Ų29.415%0.14519%0.192CC..THydrogen-bonded Turntrans-59.1-36180-66171.4156.100112.5A166 A167 L170 V196 H197 G200A166-E204 PolarHBondContact N-O 3.41Å; A167-E204 HydrophobicContact CB-CB 3.73Å; A167-E204 HydrophobicContact CB-CG 3.96Å; L170-E204 WeakPolarHBondContact CD1-O 3.33Å; V196-E204 VanDerWaalsContact CA-OE1 3.3Å; V196-E204 WeakPolarHBondContact CA-OE1 3.44Å; V196-E204 HydrophobicContact CG1-CB 4.31Å; V196-E204 HydrophobicContact CG1-CG 4.29Å; V196-E204 WeakPolarHBondContact CG1-OE2 3.49Å; H197-E204 VanDerWaalsContact CA-OE2 3.29Å; H197-E204 WeakPolarHBondContact CA-OE2 3.43Å; H197-E204 VanDerWaalsContact CB-OE2 3.26Å; H197-E204 WeakPolarHBondContact CB-OE2 3.5Å; H197-E204 IonicContact CD2-OE1 3.76Å; H197-E204 VanDerWaalsContact N-CD 3.25Å; H197-E204 PolarHBondContact N-OE1 3.05Å; H197-E204 PolarHBondContact N-OE2 3.27Å; H197-E204 VanDerWaalsContact O-OE2 3.05Å; G200-E204 PolarHBondContact O-N 2.72Å
205Y95.7Very high95.1Very high7 Ų724.8 Ų24.83%0.02717%0.173CC..EExtended strand (participates in β ladder)trans-149.9156.3165.670-96.6000110.1I162 K164 L170 L187 V198 C199 G200 G203 T207I162-Y205 HydrophobicContact CD1-CD2 3.36Å; I162-Y205 HydrophobicContact CD1-CE2 3.61Å; I162-Y205 HydrophobicContact CD1-CG 4.04Å; K164-Y205 WeakPolarHBondContact O-CA 3.36Å; K164-Y205 WeakPolarHBondContact O-CB 3.27Å; L170-Y205 HydrophobicContact CD1-CD1 4.42Å; L187-Y205 HydrophobicContact CD1-CE1 3.87Å; L187-Y205 HydrophobicContact CD2-CD1 4.02Å; L187-Y205 HydrophobicContact CD2-CE1 3.76Å; L187-Y205 HydrophobicContact CG-CE1 4.45Å; V198-Y205 WeakPolarHBondContact O-CE1 3.17Å; V198-Y205 PolarHBondContact O-OH 3.43Å; C199-Y205 VanDerWaalsContact C-OH 3.27Å; C199-Y205 WeakPolarHBondContact CA-OH 3.36Å; G200-Y205 VanDerWaalsContact N-CE1 3.25Å; G203-Y205 PolarHBondContact O-N 2.94Å; Y205-T207 HydrophobicContact CD2-CG2 3.99Å; Y205-T207 HydrophobicContact CE2-CG2 3.81Å
206E96.3Very high95.3Very high25 Ų2528.9 Ų28.912%0.11718%0.176CC..EExtended strand (participates in β ladder)trans-121.7156.6173.1-61.3170.7-163.300110Q51 V53 I163 K164Q51-E206 HydrophobicContact CG-CB 4.2Å; Q51-E206 HydrophobicContact CG-CG 4.04Å; Q51-E206 WeakPolarHBondContact CG-OE2 3.39Å; V53-E206 WeakPolarHBondContact CB-OE2 3.36Å; I163-E206 HydrophobicContact CG1-CB 4.24Å; I163-E206 WeakPolarHBondContact CG1-O 3.16Å; I163-E206 PolarHBondContact N-O 3.16Å; K164-E206 HydrophobicContact CB-CB 3.76Å; K164-E206 HydrophobicContact CB-CG 4.11Å; K164-E206 HydrophobicContact CD-CB 4.34Å; K164-E206 HydrophobicContact CD-CG 3.76Å; K164-E206 WeakPolarHBondContact CD-OE1 3.46Å; K164-E206 PolarHBondContact N-O 3.45Å; K164-E206 IonicContact NZ-OE1 2.74Å; K164-E206 PolarHBondContact NZ-OE1 3.3Å; K164-E206 PolarHBondContact O-N 3.12Å; K164-E206 VanDerWaalsContact O-N 3.1Å
207T97.4Very high95.6Very high2 Ų231.5 Ų31.51%0.01219%0.186CC..EExtended strand (participates in β ladder)trans-126.7157.7-178.351.90000112.2G10 K11 Q51 M161 I162 L180 Y205G10-T207 WeakPolarHBondContact CA-O 3.38Å; K11-T207 HydrophobicContact CD-CG2 4.19Å; K11-T207 PolarHBondContact N-OG1 2.88Å; Q51-T207 PolarHBondContact NE2-O 3.32Å; Q51-T207 VanDerWaalsContact NE2-O 3.07Å; M161-T207 CarbonylContact O-C 3.42Å; M161-T207 WeakPolarHBondContact O-CA 3.26Å; M161-T207 WeakPolarHBondContact O-CB 3.15Å; I162-T207 HydrophobicContact CD1-CG2 3.84Å; L180-T207 HydrophobicContact CD2-CG2 3.92Å; Y205-T207 HydrophobicContact CD2-CG2 3.99Å; Y205-T207 HydrophobicContact CE2-CG2 3.81Å
208F97.5Very high95.7Very high0 Ų031.4 Ų31.40%019%0.185CC..EExtended strand (participates in β ladder)trans-126.8126.9166-168.4-96.6000109.5G9 A57 I58 Y61 A160 M161 I163 L210 I219 F242G9-F208 WeakPolarHBondContact O-CA 3.42Å; A57-F208 HydrophobicContact CB-CD2 4.49Å; A57-F208 HydrophobicContact CB-CE1 4.06Å; A57-F208 HydrophobicContact CB-CE2 3.6Å; A57-F208 HydrophobicContact CB-CZ 3.34Å; I58-F208 HydrophobicContact CD1-CE2 4.34Å; Y61-F208 HydrophobicContact CD2-CZ 4.37Å; A160-F208 WeakPolarHBondContact CA-O 3.37Å; M161-F208 PolarHBondContact N-O 2.83Å; M161-F208 PolarHBondContact O-N 3.09Å; I163-F208 HydrophobicContact CD1-CB 3.87Å; I163-F208 HydrophobicContact CG1-CB 4.33Å; I163-F208 HydrophobicContact CG2-CB 3.68Å; F208-L210 HydrophobicContact CD1-CD2 3.8Å; F208-L210 HydrophobicContact CE1-CD2 4.13Å; F208-I219 HydrophobicContact CE1-CD1 3.78Å; F208-I219 HydrophobicContact CE1-CG2 4.33Å; F208-I219 HydrophobicContact CZ-CD1 4.02Å; F208-F242 HydrophobicContact CB-CE2 4.1Å; F208-F242 HydrophobicContact CB-CZ 4.13Å; F208-F242 AromaticContact CD1-CE2 3.99Å; F208-F242 HydrophobicContact CD1-CE2 3.99Å; F208-F242 HydrophobicContact CD1-CZ 4.22Å; F208-F242 HydrophobicContact CD2-CE2 4.33Å; F208-F242 AromaticContact CG-CE2 3.87Å; F208-F242 HydrophobicContact CG-CE2 3.87Å; F208-F242 HydrophobicContact CG-CZ 4.25Å
209T97.9Very high95.7Very high0 Ų031.3 Ų31.30%018%0.184CC..EExtended strand (participates in β ladder)trans-84.9114.8-178.9-49.50000109.5G9 C14 I158 D211 C212 F215G9-T209 PolarHBondContact O-N 2.74Å; G9-T209 PolarHBondContact O-OG1 3.32Å; C14-T209 HydrophobicContact CB-CG2 4.35Å; I158-T209 HydrophobicContact CG2-CG2 3.89Å; T209-D211 WeakPolarHBondContact CG2-O 2.91Å; T209-C212 HydrophobicContact CG2-CB 4.25Å; T209-F215 HydrophobicContact CG2-CZ 4.42Å
210L97.5Very high95.8Very high28 Ų2833.3 Ų33.315%0.14719%0.194CC..EExtended strand (participates in β ladder)trans-87.4-33.3-180-63.9175.4000111.9Q159 M161 F208 I219 V221Q159-L210 PolarHBondContact O-N 3.26Å; M161-L210 HydrophobicContact CB-CD1 4.15Å; M161-L210 HydrophobicContact CE-CD1 3.81Å; F208-L210 HydrophobicContact CD1-CD2 3.8Å; F208-L210 HydrophobicContact CE1-CD2 4.13Å; L210-I219 HydrophobicContact CD2-CB 4.2Å; L210-I219 HydrophobicContact CD2-CG2 4.14Å; L210-I219 PolarHBondContact O-N 3.39Å; L210-V221 HydrophobicContact CD1-CG2 4.17Å; L210-V221 HydrophobicContact CD2-CG2 3.61Å
211D97.8Very high95.9Very high38 Ų3834.7 Ų34.720%0.20320%0.201CC..EExtended strand (participates in β ladder)trans-151.4151.3173.3-164.820.6000112.4Q159 T209 K218 K250Q159-D211 WeakPolarHBondContact CA-O 3.2Å; Q159-D211 HydrophobicContact CB-CB 3.99Å; Q159-D211 WeakPolarHBondContact CB-O 3.41Å; Q159-D211 HydrophobicContact CG-CB 4.15Å; Q159-D211 PolarHBondContact N-O 3.39Å; Q159-D211 PolarHBondContact O-N 3.07Å; T209-D211 WeakPolarHBondContact CG2-O 2.91Å; D211-K218 HydrophobicContact CB-CB 3.94Å; D211-K250 WeakPolarHBondContact OD1-CE 3.3Å; D211-K250 IonicContact OD1-NZ 3.64Å; D211-K250 PolarHBondContact OD1-NZ 3.17Å; D211-K250 WeakPolarHBondContact OD2-CE 3.16Å; D211-K250 IonicContact OD2-NZ 3.59Å; D211-K250 PolarHBondContact OD2-NZ 3.16Å
212C96.5Very high96.1Very high2 Ų237.1 Ų37.11%0.01422%0.215CC..  trans-158.2170.1168.177.20000110.6C14 I158 T209 L214 F215 K250C14-C212 VanDerWaalsContact SG-CB 3.53Å; C14-C212 PolarHBondContact SG-SG 3.2Å; I158-C212 HydrophobicContact CG1-CB 4.27Å; T209-C212 HydrophobicContact CG2-CB 4.25Å; C212-L214 PolarHBondContact O-N 2.7Å; C212-L214 PolarHBondContact SG-N 3.43Å; C212-L214 VanDerWaalsContact SG-N 3.35Å; C212-F215 WeakPolarHBondContact O-CB 3.48Å; C212-F215 PolarHBondContact O-N 2.82Å; C212-F215 WeakPolarHBondContact SG-CD1 3.21Å; C212-K250 PolarHBondContact O-NZ 3.33Å
213P97.1Very high96.6Very high72 Ų7235 Ų3547%0.46819%0.187SC..THydrogen-bonded Turntrans-57-21.5177.9-29.138.2000115.5M18 S156 N157 F215M18-P213 HydrophobicContact CE-CB 4.19Å; M18-P213 HydrophobicContact CE-CG 3.78Å; S156-P213 WeakPolarHBondContact O-CD 3.32Å; S156-P213 VanDerWaalsContact O-CG 3.25Å; S156-P213 WeakPolarHBondContact O-CG 3.49Å; N157-P213 HydrophobicContact CB-CG 4.34Å; P213-F215 VanDerWaalsContact C-N 3.34Å
214L96.8Very high96.9Very high31 Ų3136.2 Ų36.216%0.16219%0.191CC..THydrogen-bonded Turntrans-78.4-19.9178.3-51.4-174000113.1M17 M18 I21 M65 C212M17-L214 HydrophobicContact CB-CD1 3.6Å; M17-L214 HydrophobicContact CE-CD1 4.48Å; M18-L214 HydrophobicContact CG-CD1 3.7Å; M18-L214 HydrophobicContact CG-CD2 4.03Å; M18-L214 HydrophobicContact CG-CG 3.74Å; I21-L214 HydrophobicContact CD1-CD1 4.06Å; I21-L214 HydrophobicContact CD1-CD2 3.38Å; I21-L214 HydrophobicContact CD1-CG 4.35Å; M65-L214 HydrophobicContact CE-CB 3.84Å; M65-L214 HydrophobicContact CE-CD1 4.09Å; C212-L214 PolarHBondContact O-N 2.7Å; C212-L214 PolarHBondContact SG-N 3.43Å; C212-L214 VanDerWaalsContact SG-N 3.35Å
215F97.4Very high97Very high5 Ų538.6 Ų38.62%0.02220%0.201CC..  trans-80.3141.7-176.9-74.721000111.1Y61 A64 M65 T209 C212 P213 K217 I219 K250Y61-F215 HydrophobicContact CD1-CE1 4.27Å; Y61-F215 HydrophobicContact CD1-CZ 4.17Å; Y61-F215 HydrophobicContact CD2-CE1 4.45Å; Y61-F215 HydrophobicContact CD2-CE2 4.47Å; Y61-F215 AromaticContact CD2-CZ 3.65Å; Y61-F215 HydrophobicContact CD2-CZ 3.65Å; Y61-F215 AromaticContact CE1-CE1 3.78Å; Y61-F215 HydrophobicContact CE1-CE1 3.78Å; Y61-F215 AromaticContact CE1-CZ 3.95Å; Y61-F215 HydrophobicContact CE1-CZ 3.95Å; Y61-F215 HydrophobicContact CE2-CE1 4.02Å; Y61-F215 AromaticContact CE2-CZ 3.42Å; Y61-F215 HydrophobicContact CE2-CZ 3.42Å; Y61-F215 VanDerWaalsContact CE2-CZ 3.42Å; Y61-F215 HydrophobicContact CG-CZ 4.01Å; Y61-F215 AromaticContact CZ-CE1 3.6Å; Y61-F215 AromaticContact CZ-CZ 3.52Å; A64-F215 HydrophobicContact CB-CD2 3.74Å; A64-F215 HydrophobicContact CB-CE2 4.08Å; A64-F215 HydrophobicContact CB-CG 4.1Å; A64-F215 CarbonylContact O-C 3.52Å; M65-F215 HydrophobicContact CG-CD1 3.45Å; M65-F215 VanDerWaalsContact CG-CD1 3.45Å; M65-F215 HydrophobicContact CG-CE1 3.55Å; M65-F215 HydrophobicContact CG-CG 4.42Å; M65-F215 HydrophobicContact SD-CD1 4.29Å; M65-F215 HydrophobicContact SD-CE1 3.95Å; T209-F215 HydrophobicContact CG2-CZ 4.42Å; C212-F215 WeakPolarHBondContact O-CB 3.48Å; C212-F215 PolarHBondContact O-N 2.82Å; C212-F215 WeakPolarHBondContact SG-CD1 3.21Å; P213-F215 VanDerWaalsContact C-N 3.34Å; F215-K217 WeakPolarHBondContact CB-O 3.44Å; F215-K217 WeakPolarHBondContact CD2-O 3.42Å; F215-I219 HydrophobicContact CE2-CD1 3.95Å; F215-I219 HydrophobicContact CE2-CG1 4.37Å; F215-K250 WeakPolarHBondContact O-CE 3.43Å; F215-K250 PolarHBondContact O-NZ 2.83Å
216K97.1Very high96.9Very high142 Ų14241.6 Ų41.662%0.61722%0.22SC*.SBendtrans-86.5-33170.3-54.8-54-179.7-170.50112.1A64 A66A64-K216 WeakPolarHBondContact O-CA 3.28Å; A64-K216 WeakPolarHBondContact O-CB 3.31Å; A64-K216 PolarHBondContact O-N 2.84Å; A66-K216 HydrophobicContact CB-CG 4.22Å
217K97.9Very high96.8Very high63 Ų6341.7 Ų41.727%0.27422%0.223SC..EExtended strand (participates in β ladder)trans-126148.5174.4-62.2-172.3-177.3177.10109.4E63 A64 F215 L247 E248 D249E63-K217 IonicContact OE1-NZ 3.77Å; A64-K217 WeakPolarHBondContact CB-O 3.38Å; A64-K217 PolarHBondContact O-N 2.87Å; F215-K217 WeakPolarHBondContact CB-O 3.44Å; F215-K217 WeakPolarHBondContact CD2-O 3.42Å; K217-L247 HydrophobicContact CB-CB 4.18Å; K217-L247 HydrophobicContact CB-CD2 4.28Å; K217-L247 HydrophobicContact CD-CB 3.86Å; K217-L247 HydrophobicContact CD-CD1 4.26Å; K217-E248 CarbonylContact C-O 3.5Å; K217-E248 VanDerWaalsContact CA-O 3.26Å; K217-E248 WeakPolarHBondContact CA-O 3.41Å; K217-E248 VanDerWaalsContact CB-O 3.3Å; K217-E248 WeakPolarHBondContact CB-O 3.17Å; K217-D249 WeakPolarHBondContact CE-OD1 3.47Å
218K97.4Very high96.5Very high66 Ų6646 Ų4629%0.28724%0.244SC..EExtended strand (participates in β ladder)trans-89.5148.9171.958.2176.9177.6151.20109.6D211 I220 L247 E248D211-K218 HydrophobicContact CB-CB 3.94Å; K218-I220 HydrophobicContact CD-CD1 3.86Å; K218-I220 HydrophobicContact CG-CD1 4.04Å; K218-L247 WeakPolarHBondContact O-CA 3.37Å; K218-E248 WeakPolarHBondContact CE-OE2 3.24Å; K218-E248 HydrophobicContact CG-CB 4Å; K218-E248 PolarHBondContact N-O 3.46Å; K218-E248 IonicContact NZ-OE2 3.99Å; K218-E248 PolarHBondContact NZ-OE2 2.81Å; K218-E248 PolarHBondContact O-N 3.45Å
219I97.6Very high96Very high3 Ų351.2 Ų51.22%0.01527%0.268CS..EExtended strand (participates in β ladder)trans-91.8128.6174.3-55.6166.4000108L60 A64 F208 L210 F215 L245 L247L60-I219 HydrophobicContact CB-CD1 4.47Å; L60-I219 HydrophobicContact CD1-CG2 4.49Å; A64-I219 HydrophobicContact CB-CD1 4.47Å; A64-I219 HydrophobicContact CB-CG1 4.21Å; F208-I219 HydrophobicContact CE1-CD1 3.78Å; F208-I219 HydrophobicContact CE1-CG2 4.33Å; F208-I219 HydrophobicContact CZ-CD1 4.02Å; L210-I219 HydrophobicContact CD2-CB 4.2Å; L210-I219 HydrophobicContact CD2-CG2 4.14Å; L210-I219 PolarHBondContact O-N 3.39Å; F215-I219 HydrophobicContact CE2-CD1 3.95Å; F215-I219 HydrophobicContact CE2-CG1 4.37Å; I219-L245 HydrophobicContact CG2-CD2 4.21Å; I219-L247 HydrophobicContact CB-CD2 4.36Å; I219-L247 HydrophobicContact CG1-CD2 3.59Å
220I97.8Very high95.5Very high42 Ų4253.4 Ų53.422%0.21528%0.284CS..EExtended strand (participates in β ladder)trans-108.7132.2176.7-55.5-55.9000108.7K218 L245 H246 E248K218-I220 HydrophobicContact CD-CD1 3.86Å; K218-I220 HydrophobicContact CG-CD1 4.04Å; I220-L245 VanDerWaalsContact O-CA 3.26Å; I220-L245 WeakPolarHBondContact O-CA 3.08Å; I220-H246 VanDerWaalsContact CB-CE1 3.47Å; I220-H246 WeakPolarHBondContact CB-CE1 3.27Å; I220-H246 VanDerWaalsContact CG2-CE1 3.49Å; I220-H246 WeakPolarHBondContact CG2-CE1 3.12Å; I220-H246 PolarHBondContact N-O 2.71Å; I220-H246 PolarHBondContact O-N 3.06Å; I220-H246 VanDerWaalsContact O-N 3.07Å; I220-E248 HydrophobicContact CG1-CB 4.19Å; I220-E248 HydrophobicContact CG1-CG 3.66Å
221V96.9Very high94.8Very high36 Ų3656.2 Ų56.222%0.21831%0.31CS..EExtended strand (participates in β ladder)trans-89.5107.6171.9-175.10000107.8M161 L210 F242 L245M161-V221 HydrophobicContact CE-CG2 4.43Å; L210-V221 HydrophobicContact CD1-CG2 4.17Å; L210-V221 HydrophobicContact CD2-CG2 3.61Å; V221-F242 HydrophobicContact CG1-CD1 3.73Å; V221-F242 HydrophobicContact CG1-CE1 3.93Å; V221-F242 HydrophobicContact CG2-CD1 4.2Å; V221-F242 HydrophobicContact CG2-CE1 3.76Å; V221-F242 HydrophobicContact CG2-CZ 4.38Å; V221-L245 HydrophobicContact CB-CD2 3.98Å; V221-L245 HydrophobicContact CG1-CD2 4.14Å; V221-L245 HydrophobicContact CG2-CD2 3.64Å
222D96.7Very high94.2Very high71 Ų7158 Ų5838%0.3832%0.32SS..EExtended strand (participates in β ladder)trans-81.9-41.6178.7-61.3-56.7000111.2E244 H246D222-E244 HydrophobicContact CB-CB 4.01Å; D222-E244 HydrophobicContact CB-CG 3.97Å; D222-E244 PolarHBondContact N-O 3.17Å; D222-H246 IonicContact OD1-CE1 3.36Å; D222-H246 PolarHBondContact OD1-CE1 2.82Å; D222-H246 IonicContact OD1-ND1 3.71Å; D222-H246 PolarHBondContact OD1-ND1 3.44Å; D222-H246 IonicContact OD2-CE1 3.01Å; D222-H246 IonicContact OD2-CG 2.73Å; D222-H246 PolarHBondContact OD2-N 3.12Å; D222-H246 IonicContact OD2-ND1 2.88Å; D222-H246 PolarHBondContact OD2-ND1 3.39Å
223S96.5Very high93.3Very high44 Ų4462.3 Ų62.331%0.30836%0.355SS..EExtended strand (participates in β ladder)trans-152147.6175.3630000112.7L243 E244S223-L243 PolarHBondContact O-N 3.23Å; S223-L243 WeakPolarHBondContact OG-CB 3.42Å; S223-E244 PolarHBondContact N-O 3.36Å; S223-E244 PolarHBondContact O-N 2.9Å; S223-E244 WeakPolarHBondContact OG-CB 3.36Å; S223-E244 PolarHBondContact OG-N 3.27Å
224S95.6Very high92.4Very high53 Ų5366.1 Ų66.137%0.37137%0.365SS..EExtended strand (participates in β ladder)trans-150.1160.5176.461.20000110.4R241S224-R241 CarbonylContact C-O 3.12Å; S224-R241 WeakPolarHBondContact CA-O 3.47Å; S224-R241 WeakPolarHBondContact CB-O 3.38Å
225E94.9Very high91.8Very high80 Ų8066.1 Ų66.137%0.37437%0.37SS..EExtended strand (participates in β ladder)trans-125.2149.3171.963.8177.8-172.100110.7V227 L240 R241 L243E225-V227 HydrophobicContact CG-CG2 4.29Å; E225-L240 WeakPolarHBondContact O-CA 3.37Å; E225-R241 HydrophobicContact CG-CB 3.91Å; E225-R241 PolarHBondContact N-O 2.73Å; E225-R241 PolarHBondContact O-N 2.97Å; E225-R241 WeakPolarHBondContact OE1-CD 3Å; E225-R241 IonicContact OE1-CZ 3.04Å; E225-R241 IonicContact OE1-NE 2.68Å; E225-R241 IonicContact OE1-NH1 3.82Å; E225-R241 PolarHBondContact OE1-NH1 3.46Å; E225-L243 HydrophobicContact CB-CD1 4.36Å; E225-L243 HydrophobicContact CG-CD1 4.41Å; E225-L243 HydrophobicContact CG-CD2 4.18Å; E225-L243 HydrophobicContact CG-CG 4.39Å
226V95.2Very high91.4Very high70 Ų7067 Ų6742%0.42438%0.376SS..EExtended strand (participates in β ladder)trans-85.1126171.6176.90000108.5L176 M228 A238 L240L176-V226 HydrophobicContact CD1-CB 4.49Å; L176-V226 HydrophobicContact CD1-CG1 3.75Å; L176-V226 HydrophobicContact CD1-CG2 4.08Å; V226-M228 HydrophobicContact CG1-SD 4.45Å; V226-A238 HydrophobicContact CG1-CB 4.42Å; V226-L240 HydrophobicContact CG2-CD2 3.76Å
227V92.9Very high91.1Very high27 Ų2761.3 Ų61.316%0.16435%0.353CS..EExtended strand (participates in β ladder)trans-109.9117.9174.3-175.40000108.6E225 A238 Y239 R241E225-V227 HydrophobicContact CG-CG2 4.29Å; V227-A238 VanDerWaalsContact O-CA 3.27Å; V227-A238 WeakPolarHBondContact O-CA 3.38Å; V227-Y239 HydrophobicContact CB-CD1 4.48Å; V227-Y239 HydrophobicContact CB-CD2 4.09Å; V227-Y239 HydrophobicContact CB-CE1 4.1Å; V227-Y239 HydrophobicContact CB-CE2 3.67Å; V227-Y239 HydrophobicContact CB-CG 4.47Å; V227-Y239 HydrophobicContact CG1-CE1 3.98Å; V227-Y239 HydrophobicContact CG1-CE2 4.09Å; V227-Y239 WeakPolarHBondContact CG1-OH 3.29Å; V227-Y239 HydrophobicContact CG2-CD2 4.41Å; V227-Y239 HydrophobicContact CG2-CE2 3.86Å; V227-Y239 PolarHBondContact N-O 3.11Å; V227-Y239 PolarHBondContact O-N 3.45Å; V227-R241 HydrophobicContact CG2-CB 3.9Å
228M91.9Very high91Very high94 Ų9458.3 Ų58.346%0.46334%0.34SS..EExtended strand (participates in β ladder)trans-82.3114.4172.3-67.1-59.8-58.100109.4P172 V226 A231 P236 A238P172-M228 HydrophobicContact CB-SD 4.31Å; P172-M228 HydrophobicContact CG-CE 4.37Å; P172-M228 HydrophobicContact CG-SD 4.21Å; V226-M228 HydrophobicContact CG1-SD 4.45Å; M228-A231 HydrophobicContact CE-CB 4.46Å; M228-P236 HydrophobicContact CE-CB 4.11Å; M228-A238 HydrophobicContact CE-CB 4.2Å; M228-A238 HydrophobicContact SD-CB 3.5Å; M228-A238 WeakPolarHBondContact SD-CB 3.31Å
229H87.4Confident90.8Very high108 Ų10855.4 Ų55.450%0.533%0.327SS..EExtended strand (participates in β ladder)trans-87.2-44.4174.3-174.982.6000111.3E44 V237 Y239E44-H229 WeakPolarHBondContact OE2-CB 3.47Å; E44-H229 IonicContact OE2-CD2 2.72Å; E44-H229 PolarHBondContact OE2-CD2 3.3Å; E44-H229 IonicContact OE2-CE1 3.51Å; E44-H229 IonicContact OE2-CG 3.09Å; E44-H229 IonicContact OE2-ND1 3.71Å; E44-H229 PolarHBondContact OE2-ND1 3.44Å; E44-H229 IonicContact OE2-NE2 3.95Å; H229-V237 HydrophobicContact CB-CB 4.21Å; H229-V237 HydrophobicContact CB-CG1 3.97Å; H229-V237 PolarHBondContact N-O 2.56Å; H229-Y239 HydrophobicContact CB-CE1 4.25Å
230S86.9Confident90.7Very high47 Ų4755.7 Ų55.733%0.32933%0.329SS..EExtended strand (participates in β ladder)trans-138.7128175.1179.40000110.3D232 P236 V237S230-D232 VanDerWaalsContact C-N 3.3Å; S230-D232 PolarHBondContact O-N 3.14Å; S230-P236 CarbonylContact O-C 3.58Å; S230-P236 WeakPolarHBondContact O-CA 3.27Å; S230-V237 PolarHBondContact N-O 3.32Å; S230-V237 PolarHBondContact O-N 2.72Å
231A81.7Confident90.4Very high86 Ų8657 Ų5771%0.71133%0.331SS*.  trans-95.333.7178.100000112.3M228 A233M228-A231 HydrophobicContact CE-CB 4.46Å; A231-A233 PolarHBondContact O-N 3.45Å
232D85.6Confident90.2Very high77 Ų7756.6 Ų56.641%0.41233%0.327SS..  trans-53.4135.1174.9-176.9-87.9000110.5S230 F234 A235S230-D232 VanDerWaalsContact C-N 3.3Å; S230-D232 PolarHBondContact O-N 3.14Å; D232-F234 PolarHBondContact O-N 3.32Å; D232-F234 VanDerWaalsContact O-N 3.17Å; D232-F234 WeakPolarHBondContact OD1-CA 3.41Å; D232-F234 WeakPolarHBondContact OD1-CB 3.44Å; D232-F234 PolarHBondContact OD1-N 3.09Å; D232-A235 PolarHBondContact OD1-N 2.95Å
233A77.4Confident90Very high91 Ų9158.2 Ų58.275%0.75233%0.334SS*.SBendtrans-67.7-17.5-17200000113.5A231A231-A233 PolarHBondContact O-N 3.45Å
234F78.4Confident90Very high152 Ų15261.9 Ų61.967%0.66735%0.347SS*.SBendtrans-114.4-40.1-174.9-60.9-73.1000112L168 D232L168-F234 WeakPolarHBondContact CA-O 3.31Å; L168-F234 HydrophobicContact CD1-CB 4.03Å; L168-F234 WeakPolarHBondContact CD1-O 3.48Å; D232-F234 PolarHBondContact O-N 3.32Å; D232-F234 VanDerWaalsContact O-N 3.17Å; D232-F234 WeakPolarHBondContact OD1-CA 3.41Å; D232-F234 WeakPolarHBondContact OD1-CB 3.44Å; D232-F234 PolarHBondContact OD1-N 3.09Å
235A84.4Confident90Very high32 Ų3261.1 Ų61.126%0.26434%0.338SS..SBendtrans-131.671.5-179.700000110.5D232D232-A235 PolarHBondContact OD1-N 2.95Å
236P88.9Confident90.1Very high22 Ų2260.3 Ų60.314%0.14333%0.334CS..  trans-60.9142.3176.527.7-35.3000110.3P172 M228 S230P172-P236 HydrophobicContact CG-CB 4.06Å; P172-P236 HydrophobicContact CG-CG 4Å; M228-P236 HydrophobicContact CE-CB 4.11Å; S230-P236 CarbonylContact O-C 3.58Å; S230-P236 WeakPolarHBondContact O-CA 3.27Å
237V92.2Very high90.2Very high24 Ų2458.3 Ų58.315%0.14532%0.321CS..EExtended strand (participates in β ladder)trans-108.6117.1172.8-173.50000107.9V165 A166 H229 S230V165-V237 WeakPolarHBondContact O-CA 3.38Å; A166-V237 HydrophobicContact CB-CB 4.49Å; A166-V237 HydrophobicContact CB-CG1 4.11Å; A166-V237 HydrophobicContact CB-CG2 4Å; H229-V237 HydrophobicContact CB-CB 4.21Å; H229-V237 HydrophobicContact CB-CG1 3.97Å; H229-V237 PolarHBondContact N-O 2.56Å; S230-V237 PolarHBondContact N-O 3.32Å; S230-V237 PolarHBondContact O-N 2.72Å
238A94Very high90.5Very high0 Ų060.5 Ų60.50%033%0.33CS..EExtended strand (participates in β ladder)trans-147.1151.5-179.300000110.6K164 V165 P172 L176 V226 V227 M228K164-A238 CarbonylContact C-O 3.55Å; K164-A238 VanDerWaalsContact CA-O 3.32Å; K164-A238 WeakPolarHBondContact CA-O 3.19Å; V165-A238 HydrophobicContact CG2-CB 4.35Å; V165-A238 PolarHBondContact N-O 2.93Å; V165-A238 PolarHBondContact O-N 2.83Å; P172-A238 HydrophobicContact CB-CB 3.62Å; P172-A238 HydrophobicContact CG-CB 3.54Å; L176-A238 HydrophobicContact CD1-CB 4.02Å; V226-A238 HydrophobicContact CG1-CB 4.42Å; V227-A238 VanDerWaalsContact O-CA 3.27Å; V227-A238 WeakPolarHBondContact O-CA 3.38Å; M228-A238 HydrophobicContact CE-CB 4.2Å; M228-A238 HydrophobicContact SD-CB 3.5Å; M228-A238 WeakPolarHBondContact SD-CB 3.31Å
239Y94.8Very high90.7Very high4 Ų461.7 Ų61.72%0.01634%0.338CS..EExtended strand (participates in β ladder)trans-143.2159.3178.560.7-94000112.9D43 E44 V53 I163 V227 H229 R241D43-Y239 HydrophobicContact CB-CE2 3.93Å; E44-Y239 HydrophobicContact CB-CE1 4.26Å; V53-Y239 HydrophobicContact CG1-CD2 4.04Å; V53-Y239 HydrophobicContact CG1-CG 4.14Å; V53-Y239 HydrophobicContact CG2-CD1 4.49Å; V53-Y239 HydrophobicContact CG2-CD2 4.49Å; V53-Y239 HydrophobicContact CG2-CG 4.12Å; I163-Y239 CarbonylContact O-C 3.58Å; I163-Y239 WeakPolarHBondContact O-CA 3.02Å; I163-Y239 VanDerWaalsContact O-CB 3.26Å; I163-Y239 WeakPolarHBondContact O-CB 3.26Å; V227-Y239 HydrophobicContact CB-CD1 4.48Å; V227-Y239 HydrophobicContact CB-CD2 4.09Å; V227-Y239 HydrophobicContact CB-CE1 4.1Å; V227-Y239 HydrophobicContact CB-CE2 3.67Å; V227-Y239 HydrophobicContact CB-CG 4.47Å; V227-Y239 HydrophobicContact CG1-CE1 3.98Å; V227-Y239 HydrophobicContact CG1-CE2 4.09Å; V227-Y239 WeakPolarHBondContact CG1-OH 3.29Å; V227-Y239 HydrophobicContact CG2-CD2 4.41Å; V227-Y239 HydrophobicContact CG2-CE2 3.86Å; V227-Y239 PolarHBondContact N-O 3.11Å; V227-Y239 PolarHBondContact O-N 3.45Å; H229-Y239 HydrophobicContact CB-CE1 4.25Å; Y239-R241 HydrophobicContact CE2-CB 4.49Å; Y239-R241 PolarHBondContact OH-NH2 3.21Å
240L94.1Very high90.9Very high10 Ų1059.6 Ų59.65%0.05233%0.327CS..EExtended strand (participates in β ladder)trans-85.4122170.3-69.3-178.9000109.8M161 I163 L176 E225 V226M161-L240 HydrophobicContact SD-CD1 4Å; I163-L240 HydrophobicContact CB-CB 4.36Å; I163-L240 HydrophobicContact CG2-CD1 4.47Å; I163-L240 PolarHBondContact O-N 3.35Å; L176-L240 HydrophobicContact CB-CD1 4.32Å; L176-L240 HydrophobicContact CB-CD2 4.05Å; L176-L240 HydrophobicContact CB-CG 3.98Å; L176-L240 HydrophobicContact CD1-CD2 4.36Å; L176-L240 HydrophobicContact CD1-CG 4.46Å; L176-L240 HydrophobicContact CD2-CG 4.34Å; L176-L240 HydrophobicContact CG-CG 4.5Å; E225-L240 WeakPolarHBondContact O-CA 3.37Å; V226-L240 HydrophobicContact CG2-CD2 3.76Å
241R92.6Very high90.7Very high68 Ų6864 Ų6426%0.25735%0.352SS..EExtended strand (participates in β ladder)trans-94.1115.8164.3-174.5-179.2-64.3144.12.2108.4D43 S224 E225 V227 Y239 L243D43-R241 IonicContact OD2-CZ 3.29Å; D43-R241 IonicContact OD2-NE 3.34Å; D43-R241 PolarHBondContact OD2-NE 3.2Å; D43-R241 IonicContact OD2-NH2 2.7Å; S224-R241 CarbonylContact C-O 3.12Å; S224-R241 WeakPolarHBondContact CA-O 3.47Å; S224-R241 WeakPolarHBondContact CB-O 3.38Å; E225-R241 HydrophobicContact CG-CB 3.91Å; E225-R241 PolarHBondContact N-O 2.73Å; E225-R241 PolarHBondContact O-N 2.97Å; E225-R241 WeakPolarHBondContact OE1-CD 3Å; E225-R241 IonicContact OE1-CZ 3.04Å; E225-R241 IonicContact OE1-NE 2.68Å; E225-R241 IonicContact OE1-NH1 3.82Å; E225-R241 PolarHBondContact OE1-NH1 3.46Å; V227-R241 HydrophobicContact CG2-CB 3.9Å; Y239-R241 HydrophobicContact CE2-CB 4.49Å; Y239-R241 PolarHBondContact OH-NH2 3.21Å; R241-L243 PolarHBondContact O-N 3.02Å
242F93.1Very high89.7Confident29 Ų2964 Ų6413%0.12735%0.347CS..EExtended strand (participates in β ladder)trans-71.5128.2173-59.6-51.4000109.9A57 M161 I163 F208 V221 L245A57-F242 HydrophobicContact CB-CD2 4.17Å; M161-F242 HydrophobicContact SD-CE1 4.46Å; I163-F242 HydrophobicContact CG2-CE1 4.34Å; I163-F242 HydrophobicContact CG2-CE2 4.21Å; I163-F242 HydrophobicContact CG2-CZ 3.55Å; F208-F242 HydrophobicContact CB-CE2 4.1Å; F208-F242 HydrophobicContact CB-CZ 4.13Å; F208-F242 AromaticContact CD1-CE2 3.99Å; F208-F242 HydrophobicContact CD1-CE2 3.99Å; F208-F242 HydrophobicContact CD1-CZ 4.22Å; F208-F242 HydrophobicContact CD2-CE2 4.33Å; F208-F242 AromaticContact CG-CE2 3.87Å; F208-F242 HydrophobicContact CG-CE2 3.87Å; F208-F242 HydrophobicContact CG-CZ 4.25Å; V221-F242 HydrophobicContact CG1-CD1 3.73Å; V221-F242 HydrophobicContact CG1-CE1 3.93Å; V221-F242 HydrophobicContact CG2-CD1 4.2Å; V221-F242 HydrophobicContact CG2-CE1 3.76Å; V221-F242 HydrophobicContact CG2-CZ 4.38Å; F242-L245 HydrophobicContact CB-CD1 3.72Å; F242-L245 HydrophobicContact CB-CD2 4.18Å; F242-L245 HydrophobicContact CB-CG 3.95Å; F242-L245 HydrophobicContact CD1-CD2 4.08Å; F242-L245 HydrophobicContact CD2-CD1 3.99Å; F242-L245 HydrophobicContact CD2-CD2 4.41Å; F242-L245 HydrophobicContact CG-CD1 3.98Å; F242-L245 HydrophobicContact CG-CD2 3.99Å; F242-L245 HydrophobicContact CG-CG 4.27Å
243L92.3Very high88.1Confident104 Ų10466.1 Ų66.155%0.54537%0.368SS..EExtended strand (participates in β ladder)trans-99.2-41.8178.2-60.6178000110.3S223 E225 R241S223-L243 PolarHBondContact O-N 3.23Å; S223-L243 WeakPolarHBondContact OG-CB 3.42Å; E225-L243 HydrophobicContact CB-CD1 4.36Å; E225-L243 HydrophobicContact CG-CD1 4.41Å; E225-L243 HydrophobicContact CG-CD2 4.18Å; E225-L243 HydrophobicContact CG-CG 4.39Å; R241-L243 PolarHBondContact O-N 3.02Å
244E95.1Very high86.5Confident121 Ų12166.4 Ų66.457%0.56536%0.36SS*.EExtended strand (participates in β ladder)trans-142.4134.5179.2-169173.9-165.900110.4D222 S223D222-E244 HydrophobicContact CB-CB 4.01Å; D222-E244 HydrophobicContact CB-CG 3.97Å; D222-E244 PolarHBondContact N-O 3.17Å; S223-E244 PolarHBondContact N-O 3.36Å; S223-E244 PolarHBondContact O-N 2.9Å; S223-E244 WeakPolarHBondContact OG-CB 3.36Å; S223-E244 PolarHBondContact OG-N 3.27Å
245L96.2Very high84.8Confident37 Ų3763.4 Ų63.419%0.19436%0.356CS..EExtended strand (participates in β ladder)trans-142.4145-178.8-64.2161.3000108.4A57 L60 I219 I220 V221 F242A57-L245 HydrophobicContact CB-CD1 3.44Å; A57-L245 VanDerWaalsContact CB-CD1 3.44Å; L60-L245 HydrophobicContact CD1-CB 3.37Å; L60-L245 HydrophobicContact CD1-CD1 4.03Å; L60-L245 HydrophobicContact CD1-CG 4.34Å; I219-L245 HydrophobicContact CG2-CD2 4.21Å; I220-L245 VanDerWaalsContact O-CA 3.26Å; I220-L245 WeakPolarHBondContact O-CA 3.08Å; V221-L245 HydrophobicContact CB-CD2 3.98Å; V221-L245 HydrophobicContact CG1-CD2 4.14Å; V221-L245 HydrophobicContact CG2-CD2 3.64Å; F242-L245 HydrophobicContact CB-CD1 3.72Å; F242-L245 HydrophobicContact CB-CD2 4.18Å; F242-L245 HydrophobicContact CB-CG 3.95Å; F242-L245 HydrophobicContact CD1-CD2 4.08Å; F242-L245 HydrophobicContact CD2-CD1 3.99Å; F242-L245 HydrophobicContact CD2-CD2 4.41Å; F242-L245 HydrophobicContact CG-CD1 3.98Å; F242-L245 HydrophobicContact CG-CD2 3.99Å; F242-L245 HydrophobicContact CG-CG 4.27Å
246H97.1Very high83Confident63 Ų6368.5 Ų68.529%0.29238%0.379SS..EExtended strand (participates in β ladder)trans-139.8170.4169.974.4-83.9000112.4I220 D222 E248I220-H246 VanDerWaalsContact CB-CE1 3.47Å; I220-H246 WeakPolarHBondContact CB-CE1 3.27Å; I220-H246 VanDerWaalsContact CG2-CE1 3.49Å; I220-H246 WeakPolarHBondContact CG2-CE1 3.12Å; I220-H246 PolarHBondContact N-O 2.71Å; I220-H246 PolarHBondContact O-N 3.06Å; I220-H246 VanDerWaalsContact O-N 3.07Å; D222-H246 IonicContact OD1-CE1 3.36Å; D222-H246 PolarHBondContact OD1-CE1 2.82Å; D222-H246 IonicContact OD1-ND1 3.71Å; D222-H246 PolarHBondContact OD1-ND1 3.44Å; D222-H246 IonicContact OD2-CE1 3.01Å; D222-H246 IonicContact OD2-CG 2.73Å; D222-H246 PolarHBondContact OD2-N 3.12Å; D222-H246 IonicContact OD2-ND1 2.88Å; D222-H246 PolarHBondContact OD2-ND1 3.39Å; H246-E248 WeakPolarHBondContact NE2-CG 3.05Å; H246-E248 IonicContact NE2-OE1 3.26Å; H246-E248 PolarHBondContact NE2-OE1 3.01Å
247L97.8Very high80.8Confident29 Ų2974.2 Ų74.215%0.15241%0.408CS..EExtended strand (participates in β ladder)trans-104.5133.6175.4-66.9172.9000110.6L60 E63 A64 K217 K218 I219L60-L247 HydrophobicContact CB-CD2 4.42Å; L60-L247 HydrophobicContact CD2-CD1 4.21Å; L60-L247 HydrophobicContact CD2-CG 4.15Å; E63-L247 HydrophobicContact CB-CD1 3.71Å; E63-L247 HydrophobicContact CG-CD1 3.46Å; E63-L247 VanDerWaalsContact CG-CD1 3.46Å; E63-L247 WeakPolarHBondContact OE2-CD1 3.27Å; A64-L247 HydrophobicContact CB-CD2 3.85Å; K217-L247 HydrophobicContact CB-CB 4.18Å; K217-L247 HydrophobicContact CB-CD2 4.28Å; K217-L247 HydrophobicContact CD-CB 3.86Å; K217-L247 HydrophobicContact CD-CD1 4.26Å; K218-L247 WeakPolarHBondContact O-CA 3.37Å; I219-L247 HydrophobicContact CB-CD2 4.36Å; I219-L247 HydrophobicContact CG1-CD2 3.59Å
248E97.6Very high78.4Confident73 Ų7383 Ų8334%0.34144%0.44SS..EExtended strand (participates in β ladder)trans-115.2140.2170.4-70.9-171.9161.500110.5K217 K218 I220 H246K217-E248 CarbonylContact C-O 3.5Å; K217-E248 VanDerWaalsContact CA-O 3.26Å; K217-E248 WeakPolarHBondContact CA-O 3.41Å; K217-E248 VanDerWaalsContact CB-O 3.3Å; K217-E248 WeakPolarHBondContact CB-O 3.17Å; K218-E248 WeakPolarHBondContact CE-OE2 3.24Å; K218-E248 HydrophobicContact CG-CB 4Å; K218-E248 PolarHBondContact N-O 3.46Å; K218-E248 IonicContact NZ-OE2 3.99Å; K218-E248 PolarHBondContact NZ-OE2 2.81Å; K218-E248 PolarHBondContact O-N 3.45Å; I220-E248 HydrophobicContact CG1-CB 4.19Å; I220-E248 HydrophobicContact CG1-CG 3.66Å; H246-E248 WeakPolarHBondContact NE2-CG 3.05Å; H246-E248 IonicContact NE2-OE1 3.26Å; H246-E248 PolarHBondContact NE2-OE1 3.01Å
249D96.2Very high76Confident119 Ų11993.6 Ų93.664%0.63648%0.48SS*.EExtended strand (participates in β ladder)trans-61.8141.8170.5-70.4-42.4000110.5K217 V251K217-D249 WeakPolarHBondContact CE-OD1 3.47Å; D249-V251 PolarHBondContact O-N 3.4Å
250K92.6Very high73.5Confident64 Ų6499.9 Ų99.928%0.27852%0.519SS..  trans-72.2130.1172.6-64-173.9178.1-1670108.9D211 C212 F215 S252D211-K250 WeakPolarHBondContact OD1-CE 3.3Å; D211-K250 IonicContact OD1-NZ 3.64Å; D211-K250 PolarHBondContact OD1-NZ 3.17Å; D211-K250 WeakPolarHBondContact OD2-CE 3.16Å; D211-K250 IonicContact OD2-NZ 3.59Å; D211-K250 PolarHBondContact OD2-NZ 3.16Å; C212-K250 PolarHBondContact O-NZ 3.33Å; F215-K250 WeakPolarHBondContact O-CE 3.43Å; F215-K250 PolarHBondContact O-NZ 2.83Å; K250-S252 PolarHBondContact O-N 3.25Å
251V81.7Confident70.7Confident139 Ų139103.5 Ų103.584%0.84255%0.545SS*.  trans-60.4114.2172-173.70000107.6D249 S253D249-V251 PolarHBondContact O-N 3.4Å; V251-S253 PolarHBondContact O-N 3.26Å
252S61.4Low68.1Low87 Ų87108.1 Ų108.161%0.60858%0.575SS**  trans-61.3118.4175.442.50000108.8K250 V254K250-S252 PolarHBondContact O-N 3.25Å; S252-V254 PolarHBondContact O-N 2.86Å
253S51.8Low65.4Low121 Ų121115.5 Ų115.585%0.84660%0.603SS**SBendtrans-72.213.2173.954.10000113.4V251V251-S253 PolarHBondContact O-N 3.26Å
254V44.9Very low62.8Low97 Ų97117 Ų11759%0.58861%0.611SS**SBendtrans-115113.5177.3-170.80000108.2S252 D256S252-V254 PolarHBondContact O-N 2.86Å; V254-D256 PolarHBondContact O-N 3.01Å
255P41.5Very low59.9Low89 Ų89121.2 Ų121.258%0.57862%0.623SS**  trans-59134.3168-16.728.3000109.4N257P255-N257 PolarHBondContact O-N 3.25Å
256D47.5Very low57Low139 Ų139125.5 Ų125.574%0.74365%0.646SS**G310 helixtrans-596.5178.9-92.5-37.2000115.5V254 Y258V254-D256 PolarHBondContact O-N 3.01Å; D256-Y258 VanDerWaalsContact C-N 3.31Å; D256-Y258 PolarHBondContact O-N 2.68Å
257N41.7Very low54.4Low142 Ų142136.1 Ų136.176%0.75969%0.691SS**G310 helixtrans-82.810.4-173.6-76.1-8000115.7P255P255-N257 PolarHBondContact O-N 3.25Å
258Y42.4Very low52.3Low209 Ų209141.5 Ų141.582%0.8272%0.718SS**G310 helixtrans-114.316.5176.1-74.6-78.9000114.8D256 T260D256-Y258 VanDerWaalsContact C-N 3.31Å; D256-Y258 PolarHBondContact O-N 2.68Å; Y258-T260 PolarHBondContact O-N 3.48Å
259R42.8Very low49.9Very low221 Ų221145.1 Ų145.183%0.83474%0.738SS**  trans-91.769.3163.8-82.3-173.6173.3174.90.9111.2
260T42.6Very low47.3Very low137 Ų137146.5 Ų146.584%0.8474%0.744SS**  trans-174.599.3149.530.10000109.9Y258Y258-T260 PolarHBondContact O-N 3.48Å
261S34.9Very low44.6Very low86 Ų86151.4 Ų151.460%0.60177%0.771SS**  -170.4113.4123.567.80000109Y263S261-Y263 PolarHBondContact O-N 2.84Å; S261-Y263 VanDerWaalsContact O-N 3.1Å; S261-Y263 WeakPolarHBondContact OG-CD2 3.49Å; S261-Y263 WeakPolarHBondContact OG-CE2 3.43Å
262N39.6Very low42.3Very low165 Ų165152.1 Ų152.188%0.88277%0.767SS**  trans-56.3109.3158.7-75.1-31.8000108.3
263Y34.6Very low41.1Very low183 Ų183156.5 Ų156.572%0.71878%0.777SS**  trans-110.5102.7154.3-81.5-77.7000108.1S261 Y265S261-Y263 PolarHBondContact O-N 2.84Å; S261-Y263 VanDerWaalsContact O-N 3.1Å; S261-Y263 WeakPolarHBondContact OG-CD2 3.49Å; S261-Y263 WeakPolarHBondContact OG-CE2 3.43Å; Y263-Y265 PolarHBondContact O-N 2.84Å
264I39.3Very low40.3Very low137 Ų137159 Ų15970%0.70377%0.772SS**  trans-55.4118.8159.4-64.9165.4000106.8
265Y34.3Very low39.9Very low209 Ų209163.8 Ų163.882%0.8279%0.787SS**  trans-108.498.7153.8-83.3-80.8000107.6Y263Y263-Y265 PolarHBondContact O-N 2.84Å
266N34.3Very low39.8Very low126 Ų126170 Ų17067%0.67480%0.804SS**  trans-71.2122.3149-79.3-31.7000106.6
267F43.7Very low39.1Very low286 Ų286172.8 Ų172.8100%1.25481%0.81SS**  178.60126.2-87.6-63.9000108.6

Retrieved 267 of 267 residues in 51.2 ms (Link to these results)

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