A0A087YKZ1_POEFO Loading...

Cofilin 2 (muscle)

AlphaFold DB (A0A3B3TPR9), UniProt , Accession A0A087YKZ1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 166 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
1M45.4Very low75.1Confident227 Ų22774.5 Ų74.5100%1.11845%0.452SS*.  0112.90-71.8179.5-80.100107.4
2A44.9Very low76.3Confident102 Ų10270.7 Ų70.784%0.84343%0.426SS*.  trans-89.2116.5-175.700000109.3G4A2-G4 PolarHBondContact O-N 2.93Å
3S54.2Low77.2Confident52 Ų5280.7 Ų80.736%0.36445%0.452SS..  trans-68.510.4177.9-68.20000114.5V5 S119S3-V5 WeakPolarHBondContact O-CG2 3.39Å; S3-V5 PolarHBondContact O-N 3.21Å; S3-S119 WeakPolarHBondContact OG-CB 3.49Å
4G68.1Low78Confident59 Ų5976 Ų7661%0.60843%0.426SS*.  trans59.813.9-179.500000113.8A2A2-G4 PolarHBondContact O-N 2.93Å
5V81.2Confident78.7Confident12 Ų1271 Ų717%0.07340%0.398CS..PPolyproline II helixtrans-79.1126.6-176.9-177.70000109.2S3 L40 R44 K45 I47 I116 S120 A123S3-V5 WeakPolarHBondContact O-CG2 3.39Å; S3-V5 PolarHBondContact O-N 3.21Å; V5-L40 HydrophobicContact CG1-CD2 3.68Å; V5-R44 WeakPolarHBondContact CG2-O 3.35Å; V5-K45 CarbonylContact C-O 3.54Å; V5-K45 WeakPolarHBondContact CA-O 3.42Å; V5-I47 HydrophobicContact CG1-CD1 4.24Å; V5-I47 HydrophobicContact CG1-CG1 3.78Å; V5-I116 HydrophobicContact CG2-CG2 4.28Å; V5-S120 VanDerWaalsContact CB-OG 3.26Å; V5-S120 WeakPolarHBondContact CB-OG 3.43Å; V5-S120 WeakPolarHBondContact CG2-OG 3.48Å; V5-A123 WeakPolarHBondContact O-CB 3.27Å
6T86.1Confident79.2Confident78 Ų7870.8 Ų70.848%0.47940%0.395SS..EExtended strand (participates in β ladder)trans-99.2151.5178.452.20000109.9K45 K46 I47T6-K45 PolarHBondContact N-O 2.86Å; T6-K45 PolarHBondContact OG1-O 3.32Å; T6-K45 VanDerWaalsContact OG1-O 3.1Å; T6-K46 CarbonylContact O-C 3.58Å; T6-K46 WeakPolarHBondContact O-CA 3.44Å; T6-K46 WeakPolarHBondContact OG1-CG 3.29Å; T6-I47 PolarHBondContact O-N 2.99Å
7V88.3Confident79.5Confident15 Ų1571.8 Ų71.89%0.09140%0.4CS..EExtended strand (participates in β ladder)trans-95.6124.8177.4-174.10000106.8V11 I12 I47 A123 I124 K127V7-V11 HydrophobicContact CG1-CB 3.8Å; V7-V11 HydrophobicContact CG1-CG1 3.81Å; V7-V11 HydrophobicContact CG1-CG2 4.46Å; V7-I12 HydrophobicContact CG1-CD1 4.47Å; V7-I12 HydrophobicContact CG1-CG1 3.95Å; V7-I47 HydrophobicContact CG2-CD1 4.31Å; V7-A123 HydrophobicContact CG2-CB 4.41Å; V7-I124 HydrophobicContact CG1-CG1 4.37Å; V7-I124 HydrophobicContact CG2-CB 4.24Å; V7-I124 HydrophobicContact CG2-CG1 4.45Å; V7-K127 HydrophobicContact CB-CG 3.91Å; V7-K127 HydrophobicContact CG1-CB 4.45Å; V7-K127 HydrophobicContact CG1-CG 4.29Å; V7-K127 HydrophobicContact CG2-CB 4.36Å; V7-K127 HydrophobicContact CG2-CG 3.7Å
8N90.5Very high79.8Confident41 Ų4168.2 Ų68.222%0.21938%0.38CS..PPolyproline II helixtrans-62.1138174.4-174.6-14.3000109.1E10 V11 I47 I48N8-E10 PolarHBondContact ND2-OE2 3.44Å; N8-E10 PolarHBondContact O-N 3.05Å; N8-E10 VanDerWaalsContact O-N 3.13Å; N8-E10 PolarHBondContact OD1-N 3.13Å; N8-V11 HydrophobicContact CB-CG2 4.31Å; N8-V11 VanDerWaalsContact O-CB 3.31Å; N8-V11 WeakPolarHBondContact O-CB 3.33Å; N8-V11 PolarHBondContact O-N 3.19Å; N8-I47 WeakPolarHBondContact CB-O 3.5Å; N8-I47 PolarHBondContact N-O 3.41Å; N8-I48 HydrophobicContact CB-CG2 4.2Å
9D89.3Confident79.9Confident124 Ų12469.6 Ų69.666%0.66338%0.382SS*.Hα-helixtrans-55.1-28.9177.7-64.3-81.7000112.6V11 I12 R13D9-V11 VanDerWaalsContact C-N 3.32Å; D9-V11 PolarHBondContact O-N 3.13Å; D9-I12 WeakPolarHBondContact O-CB 3.2Å; D9-I12 PolarHBondContact O-N 3.42Å; D9-R13 WeakPolarHBondContact O-CB 3.32Å; D9-R13 PolarHBondContact O-N 3.41Å
10E89.1Confident79.7Confident110 Ų11070.3 Ų70.351%0.51439%0.388SS..Hα-helixtrans-59.8-40.8173.3-67.5-171.993.500112.8N8 I12 R13 V14 V49N8-E10 PolarHBondContact ND2-OE2 3.44Å; N8-E10 PolarHBondContact O-N 3.05Å; N8-E10 VanDerWaalsContact O-N 3.13Å; N8-E10 PolarHBondContact OD1-N 3.13Å; E10-I12 VanDerWaalsContact C-N 3.29Å; E10-I12 PolarHBondContact O-N 3.26Å; E10-R13 PolarHBondContact O-N 2.85Å; E10-V14 WeakPolarHBondContact O-CB 3.41Å; E10-V14 VanDerWaalsContact O-CG2 3.31Å; E10-V14 WeakPolarHBondContact O-CG2 3.4Å; E10-V14 PolarHBondContact O-N 3.07Å; E10-V49 HydrophobicContact CB-CG2 4.13Å
11V89.6Confident79.2Confident0 Ų070.5 Ų70.50%038%0.383CS..Hα-helixtrans-62.6-41.5177.3176.20000110.3V7 N8 D9 F15 F38 I47 V49 I124 F128V7-V11 HydrophobicContact CG1-CB 3.8Å; V7-V11 HydrophobicContact CG1-CG1 3.81Å; V7-V11 HydrophobicContact CG1-CG2 4.46Å; N8-V11 HydrophobicContact CB-CG2 4.31Å; N8-V11 VanDerWaalsContact O-CB 3.31Å; N8-V11 WeakPolarHBondContact O-CB 3.33Å; N8-V11 PolarHBondContact O-N 3.19Å; D9-V11 VanDerWaalsContact C-N 3.32Å; D9-V11 PolarHBondContact O-N 3.13Å; V11-F15 WeakPolarHBondContact O-CB 3.39Å; V11-F15 PolarHBondContact O-N 2.74Å; V11-F38 HydrophobicContact CB-CD1 4.19Å; V11-F38 HydrophobicContact CB-CE1 4.16Å; V11-F38 HydrophobicContact CG1-CD1 3.68Å; V11-F38 HydrophobicContact CG1-CE1 3.62Å; V11-F38 HydrophobicContact CG1-CG 4.3Å; V11-F38 HydrophobicContact CG1-CZ 4.2Å; V11-F38 HydrophobicContact CG2-CD1 3.77Å; V11-F38 HydrophobicContact CG2-CE1 4.16Å; V11-I47 HydrophobicContact CG2-CG2 4.3Å; V11-I47 WeakPolarHBondContact CG2-O 3.18Å; V11-V49 HydrophobicContact CB-CG2 4.39Å; V11-V49 HydrophobicContact CG2-CG2 3.75Å; V11-I124 HydrophobicContact CG1-CD1 4.14Å; V11-I124 HydrophobicContact CG1-CG1 4.43Å; V11-F128 HydrophobicContact CG1-CE1 3.66Å; V11-F128 HydrophobicContact CG1-CZ 3.54Å
12I88.6Confident79.7Confident28 Ų2867.5 Ų67.514%0.14436%0.363CS..Hα-helixtrans-67.1-41.6178.2-53.1173.5000110.2V7 D9 E10 F15 N16 K127V7-I12 HydrophobicContact CG1-CD1 4.47Å; V7-I12 HydrophobicContact CG1-CG1 3.95Å; D9-I12 WeakPolarHBondContact O-CB 3.2Å; D9-I12 PolarHBondContact O-N 3.42Å; E10-I12 VanDerWaalsContact C-N 3.29Å; E10-I12 PolarHBondContact O-N 3.26Å; I12-F15 PolarHBondContact O-N 3.11Å; I12-N16 WeakPolarHBondContact O-CB 3.29Å; I12-N16 PolarHBondContact O-N 2.98Å; I12-N16 PolarHBondContact O-ND2 3.45Å; I12-N16 VanDerWaalsContact O-ND2 3.12Å; I12-K127 HydrophobicContact CD1-CB 4.33Å; I12-K127 HydrophobicContact CD1-CD 3.75Å; I12-K127 HydrophobicContact CD1-CG 4.05Å; I12-K127 HydrophobicContact CG1-CB 4.14Å; I12-K127 HydrophobicContact CG1-CD 4.49Å; I12-K127 HydrophobicContact CG1-CG 4.34Å
13R88.8Confident80.3Confident201 Ų20163.8 Ų63.876%0.75833%0.331SS*.Hα-helixtrans-63.7-46.6177.6-172.3176.2172.5-170.1-2.8111.2D9 E10 N16 D17D9-R13 WeakPolarHBondContact O-CB 3.32Å; D9-R13 PolarHBondContact O-N 3.41Å; E10-R13 PolarHBondContact O-N 2.85Å; R13-N16 PolarHBondContact O-N 3.03Å; R13-D17 WeakPolarHBondContact O-CB 3.48Å; R13-D17 PolarHBondContact O-N 2.84Å
14V88.4Confident80.6Confident15 Ų1567.2 Ų67.29%0.09136%0.355CS..Hα-helixtrans-61.6-44.2176171.10000111.4E10 D17 M18 K33 V36 F38 V49E10-V14 WeakPolarHBondContact O-CB 3.41Å; E10-V14 VanDerWaalsContact O-CG2 3.31Å; E10-V14 WeakPolarHBondContact O-CG2 3.4Å; E10-V14 PolarHBondContact O-N 3.07Å; V14-D17 PolarHBondContact O-N 3.4Å; V14-M18 HydrophobicContact CG1-SD 4.22Å; V14-M18 WeakPolarHBondContact O-CG 3.27Å; V14-M18 PolarHBondContact O-N 3.16Å; V14-K33 HydrophobicContact CG1-CD 3.83Å; V14-V36 HydrophobicContact CG1-CB 4.4Å; V14-V36 HydrophobicContact CG1-CG1 3.91Å; V14-V36 HydrophobicContact CG1-CG2 4.19Å; V14-F38 HydrophobicContact CG1-CZ 4.42Å; V14-V49 HydrophobicContact CG2-CG2 4.15Å
15F87.6Confident80.9Confident1 Ų168.3 Ų68.30%0.00435%0.35CS..Hα-helixtrans-61.2-46.7176.7170.5-108.4000112.5V11 I12 D17 M18 K19 L84 F128 I131V11-F15 WeakPolarHBondContact O-CB 3.39Å; V11-F15 PolarHBondContact O-N 2.74Å; I12-F15 PolarHBondContact O-N 3.11Å; F15-D17 VanDerWaalsContact C-N 3.31Å; F15-D17 PolarHBondContact O-N 2.75Å; F15-M18 PolarHBondContact O-N 2.98Å; F15-K19 HydrophobicContact CE1-CD 4.17Å; F15-K19 HydrophobicContact CZ-CD 4.07Å; F15-K19 VanDerWaalsContact O-CB 3.29Å; F15-K19 WeakPolarHBondContact O-CB 3.48Å; F15-K19 PolarHBondContact O-N 3.16Å; F15-L84 HydrophobicContact CB-CD1 3.97Å; F15-L84 HydrophobicContact CD2-CD1 3.53Å; F15-L84 HydrophobicContact CD2-CD2 4.27Å; F15-L84 HydrophobicContact CG-CD1 4.2Å; F15-F128 HydrophobicContact CB-CD1 3.68Å; F15-F128 HydrophobicContact CB-CE1 3.38Å; F15-F128 HydrophobicContact CB-CZ 4.09Å; F15-F128 HydrophobicContact CD1-CB 4.39Å; F15-F128 AromaticContact CD1-CD1 3.65Å; F15-F128 HydrophobicContact CD1-CD1 3.65Å; F15-F128 HydrophobicContact CD1-CE1 4.27Å; F15-F128 HydrophobicContact CD1-CG 4.26Å; F15-F128 HydrophobicContact CD2-CB 4.45Å; F15-F128 AromaticContact CD2-CD1 3.9Å; F15-F128 HydrophobicContact CD2-CD1 3.9Å; F15-F128 HydrophobicContact CD2-CD2 4.45Å; F15-F128 HydrophobicContact CD2-CE1 4.19Å; F15-F128 HydrophobicContact CD2-CG 4.03Å; F15-F128 HydrophobicContact CE1-CB 4.14Å; F15-F128 HydrophobicContact CE1-CD1 4.26Å; F15-F128 HydrophobicContact CE1-CG 4.48Å; F15-F128 HydrophobicContact CE2-CB 4.22Å; F15-F128 HydrophobicContact CE2-CD1 4.48Å; F15-F128 HydrophobicContact CE2-CG 4.27Å; F15-F128 AromaticContact CG-CD1 3.42Å; F15-F128 HydrophobicContact CG-CD1 3.42Å; F15-F128 VanDerWaalsContact CG-CD1 3.42Å; F15-F128 AromaticContact CG-CE1 3.68Å; F15-F128 HydrophobicContact CG-CE1 3.68Å; F15-F128 HydrophobicContact CG-CG 4.01Å; F15-F128 HydrophobicContact CG-CZ 4.43Å; F15-F128 HydrophobicContact CZ-CB 4.03Å; F15-F128 HydrophobicContact CZ-CG 4.47Å; F15-I131 HydrophobicContact CD2-CD1 4.12Å; F15-I131 HydrophobicContact CD2-CG1 4.39Å; F15-I131 HydrophobicContact CE2-CD1 3.46Å; F15-I131 VanDerWaalsContact CE2-CD1 3.46Å; F15-I131 HydrophobicContact CE2-CG1 3.3Å; F15-I131 HydrophobicContact CZ-CD1 4.08Å; F15-I131 HydrophobicContact CZ-CG1 3.53Å
16N86.8Confident80.4Confident67 Ų6775.6 Ų75.636%0.35838%0.384SS..Hα-helixtrans-63.8-38.7177.6-79.3-45.3000111.9I12 R13 K19 V20I12-N16 WeakPolarHBondContact O-CB 3.29Å; I12-N16 PolarHBondContact O-N 2.98Å; I12-N16 PolarHBondContact O-ND2 3.45Å; I12-N16 VanDerWaalsContact O-ND2 3.12Å; R13-N16 PolarHBondContact O-N 3.03Å; N16-K19 PolarHBondContact O-N 3.24Å; N16-V20 VanDerWaalsContact O-CB 3.29Å; N16-V20 WeakPolarHBondContact O-CB 3.47Å; N16-V20 WeakPolarHBondContact O-CG2 3.48Å; N16-V20 PolarHBondContact O-N 3.45Å
17D85.3Confident79.9Confident89 Ų8978.5 Ų78.548%0.47639%0.391SS..Hα-helixtrans-61-49176.4-169.4-103.3000111.7R13 V14 F15 K19 R21R13-D17 WeakPolarHBondContact O-CB 3.48Å; R13-D17 PolarHBondContact O-N 2.84Å; V14-D17 PolarHBondContact O-N 3.4Å; F15-D17 VanDerWaalsContact C-N 3.31Å; F15-D17 PolarHBondContact O-N 2.75Å; D17-K19 VanDerWaalsContact C-N 3.31Å; D17-K19 PolarHBondContact O-N 3.29Å; D17-R21 PolarHBondContact O-N 3.23Å
18M83.6Confident79.4Confident7 Ų782.2 Ų82.23%0.03441%0.408CS..Hα-helixtrans-60.8-39.5174.7-70.4178.182.500112.3V14 F15 R21 K33 K34 V36 L84 D86 L99V14-M18 HydrophobicContact CG1-SD 4.22Å; V14-M18 WeakPolarHBondContact O-CG 3.27Å; V14-M18 PolarHBondContact O-N 3.16Å; F15-M18 PolarHBondContact O-N 2.98Å; M18-R21 WeakPolarHBondContact O-CG 3.23Å; M18-K33 HydrophobicContact CE-CB 4.32Å; M18-K33 WeakPolarHBondContact CE-O 3.21Å; M18-K33 HydrophobicContact CG-CB 3.94Å; M18-K33 HydrophobicContact SD-CB 4.1Å; M18-K34 WeakPolarHBondContact CE-O 3.48Å; M18-V36 HydrophobicContact CE-CG1 4.27Å; M18-V36 HydrophobicContact SD-CG1 3.51Å; M18-V36 VanDerWaalsContact SD-CG1 3.51Å; M18-L84 HydrophobicContact CE-CB 4.24Å; M18-L84 HydrophobicContact SD-CB 4.15Å; M18-D86 HydrophobicContact CE-CB 4.3Å; M18-L99 HydrophobicContact CB-CD1 4.39Å; M18-L99 HydrophobicContact CB-CD2 4.02Å; M18-L99 HydrophobicContact CE-CD2 3.83Å; M18-L99 HydrophobicContact SD-CD2 4.47Å
19K81.8Confident78.8Confident95 Ų9583 Ų8341%0.41341%0.414SS..Hα-helixtrans-71.8-45.5-178.3-176.9-176.4177.7-172.90113.1F15 N16 D17 R21 L99 T129F15-K19 HydrophobicContact CE1-CD 4.17Å; F15-K19 HydrophobicContact CZ-CD 4.07Å; F15-K19 VanDerWaalsContact O-CB 3.29Å; F15-K19 WeakPolarHBondContact O-CB 3.48Å; F15-K19 PolarHBondContact O-N 3.16Å; N16-K19 PolarHBondContact O-N 3.24Å; D17-K19 VanDerWaalsContact C-N 3.31Å; D17-K19 PolarHBondContact O-N 3.29Å; K19-R21 PolarHBondContact O-N 3.38Å; K19-L99 HydrophobicContact CB-CD1 3.85Å; K19-L99 HydrophobicContact CG-CD1 4.37Å; K19-T129 PolarHBondContact NZ-O 3.1Å
20V77.3Confident78.2Confident83 Ų8383.3 Ų83.350%0.50341%0.406SS..Hα-helixtrans-70.9-20.9-173.7171.40000110.9N16 K22N16-V20 VanDerWaalsContact O-CB 3.29Å; N16-V20 WeakPolarHBondContact O-CB 3.47Å; N16-V20 WeakPolarHBondContact O-CG2 3.48Å; N16-V20 PolarHBondContact O-N 3.45Å; V20-K22 HydrophobicContact CG1-CB 4.23Å; V20-K22 HydrophobicContact CG1-CD 3.76Å; V20-K22 HydrophobicContact CG1-CG 3.66Å; V20-K22 PolarHBondContact O-N 2.78Å; V20-K22 VanDerWaalsContact O-N 3.13Å
21R69.3Low77.7Confident74 Ų7485 Ų8528%0.27941%0.412SS..THydrogen-bonded Turntrans4846.2177.3-73.7-169.7-174.7154.617.5110.5D17 M18 K19 S23 R32 D86 E97D17-R21 PolarHBondContact O-N 3.23Å; M18-R21 WeakPolarHBondContact O-CG 3.23Å; K19-R21 PolarHBondContact O-N 3.38Å; R21-S23 VanDerWaalsContact C-N 3.35Å; R21-S23 PolarHBondContact O-N 3.41Å; R21-R32 VanDerWaalsContact CB-CZ 3.49Å; R21-R32 VanDerWaalsContact CB-NH2 3.34Å; R21-R32 PolarHBondContact O-NH2 3.2Å; R21-D86 IonicContact CZ-OD2 2.89Å; R21-D86 IonicContact NE-OD2 2.59Å; R21-D86 PolarHBondContact NE-OD2 2.87Å; R21-D86 IonicContact NH2-OD2 3.4Å; R21-D86 PolarHBondContact NH2-OD2 3.3Å; R21-E97 VanDerWaalsContact CZ-CB 3.49Å; R21-E97 IonicContact CZ-OE2 3.88Å; R21-E97 VanDerWaalsContact NH1-CB 3.32Å; R21-E97 IonicContact NH1-OE2 3.93Å; R21-E97 PolarHBondContact NH1-OE2 2.9Å; R21-E97 VanDerWaalsContact NH2-C 3.26Å; R21-E97 PolarHBondContact NH2-O 2.88Å
22K55.8Low77.4Confident165 Ų16587.3 Ų87.372%0.71742%0.42SS*.  trans-73.692173.1-101.7169.1-174.7-166.60107.8V20V20-K22 HydrophobicContact CG1-CB 4.23Å; V20-K22 HydrophobicContact CG1-CD 3.76Å; V20-K22 HydrophobicContact CG1-CG 3.66Å; V20-K22 PolarHBondContact O-N 2.78Å; V20-K22 VanDerWaalsContact O-N 3.13Å
23S56.2Low77.2Confident23 Ų2388.2 Ų88.216%0.16142%0.423CS..  trans-148.2106.1169.9-45.60000108.4R21 V29 R32R21-S23 VanDerWaalsContact C-N 3.35Å; R21-S23 PolarHBondContact O-N 3.41Å; S23-V29 VanDerWaalsContact CB-CG2 3.43Å; S23-R32 VanDerWaalsContact CB-NH2 3.29Å; S23-R32 WeakPolarHBondContact OG-CG 3.03Å; S23-R32 VanDerWaalsContact OG-CZ 3.32Å; S23-R32 PolarHBondContact OG-NE 3.48Å; S23-R32 PolarHBondContact OG-NH2 3.14Å; S23-R32 VanDerWaalsContact OG-NH2 3.11Å
24S60.3Low77.2Confident125 Ų12578.9 Ų78.987%0.87439%0.388SS*.  trans-97-19.6176.5-66.90000111.3E28S24-E28 PolarHBondContact N-OE2 2.95Å
25T75.5Confident77.2Confident82 Ų8278.2 Ų78.250%0.50338%0.384SS..SBendtrans-117.7148.8-177.8-27.50000111.2E27 E28 V29T25-E27 PolarHBondContact O-N 3.36Å; T25-E28 PolarHBondContact O-N 3.4Å; T25-V29 PolarHBondContact O-N 3.38Å; T25-V29 VanDerWaalsContact O-N 3.13Å
26Q70.6Confident77.3Confident165 Ų16578.1 Ų78.177%0.77138%0.384SS*.Hα-helixtrans-56.9-34.4-179.3-72.6-175.514.700113.3V29 R30Q26-V29 PolarHBondContact O-N 3.13Å; Q26-R30 WeakPolarHBondContact O-CG 3.48Å; Q26-R30 PolarHBondContact O-N 3.33Å; Q26-R30 VanDerWaalsContact O-N 3.07Å
27E75.2Confident77.5Confident138 Ų13875 Ų7565%0.64537%0.367SS*.Hα-helixtrans-66-36.9175.7-79.917869.500113.3T25 R30 K31T25-E27 PolarHBondContact O-N 3.36Å; E27-R30 PolarHBondContact O-N 2.68Å; E27-K31 WeakPolarHBondContact O-CG 3.37Å; E27-K31 PolarHBondContact O-N 2.82Å; E27-K31 VanDerWaalsContact O-N 3.13Å
28E78.4Confident77.7Confident93 Ų9370.7 Ų70.744%0.43534%0.344SS..Hα-helixtrans-71.9-36176.5-66.3-171.3118.700111.5S24 T25 R30 K31 R32S24-E28 PolarHBondContact N-OE2 2.95Å; T25-E28 PolarHBondContact O-N 3.4Å; E28-R30 VanDerWaalsContact C-N 3.28Å; E28-R30 PolarHBondContact O-N 3.21Å; E28-K31 PolarHBondContact O-N 3.12Å; E28-R32 PolarHBondContact O-N 2.73Å; E28-R32 VanDerWaalsContact O-N 3.16Å
29V76.6Confident78Confident57 Ų5771.4 Ų71.435%0.34535%0.349SS..Hα-helixtrans-60.3-43.2173.7178.90000109.7S23 T25 Q26 K31 R32 V57S23-V29 VanDerWaalsContact CB-CG2 3.43Å; T25-V29 PolarHBondContact O-N 3.38Å; T25-V29 VanDerWaalsContact O-N 3.13Å; Q26-V29 PolarHBondContact O-N 3.13Å; V29-K31 VanDerWaalsContact C-N 3.31Å; V29-K31 PolarHBondContact O-N 2.72Å; V29-R32 VanDerWaalsContact O-CB 3.27Å; V29-R32 WeakPolarHBondContact O-CB 3.25Å; V29-R32 PolarHBondContact O-N 2.88Å; V29-R32 VanDerWaalsContact O-N 3.14Å; V29-V57 HydrophobicContact CG1-CG1 4.49Å
30R77Confident78.3Confident131 Ų13167.8 Ų67.849%0.49433%0.334SS..Hα-helixtrans-62.6-36176.7-74.2174.6162.6-129.9-15.2112.7Q26 E27 E28 R32 G58 E62Q26-R30 WeakPolarHBondContact O-CG 3.48Å; Q26-R30 PolarHBondContact O-N 3.33Å; Q26-R30 VanDerWaalsContact O-N 3.07Å; E27-R30 PolarHBondContact O-N 2.68Å; E28-R30 VanDerWaalsContact C-N 3.28Å; E28-R30 PolarHBondContact O-N 3.21Å; R30-R32 VanDerWaalsContact C-N 3.26Å; R30-R32 PolarHBondContact O-N 2.96Å; R30-G58 WeakPolarHBondContact O-CA 3.43Å; R30-G58 PolarHBondContact O-N 3.04Å; R30-E62 IonicContact CZ-OE2 2.76Å; R30-E62 VanDerWaalsContact CZ-OE2 3.26Å; R30-E62 IonicContact NH1-OE2 3.39Å; R30-E62 PolarHBondContact NH1-OE2 2.86Å; R30-E62 IonicContact NH2-OE2 2.93Å; R30-E62 PolarHBondContact NH2-OE2 3.32Å
31K79.6Confident78.8Confident146 Ų14665.1 Ų65.164%0.63532%0.319SS*.THydrogen-bonded Turntrans-78-4.5176.5-71.2177.6-176.4173.70114.1E27 E28 V29E27-K31 WeakPolarHBondContact O-CG 3.37Å; E27-K31 PolarHBondContact O-N 2.82Å; E27-K31 VanDerWaalsContact O-N 3.13Å; E28-K31 PolarHBondContact O-N 3.12Å; V29-K31 VanDerWaalsContact C-N 3.31Å; V29-K31 PolarHBondContact O-N 2.72Å
32R82.1Confident79.4Confident49 Ų4970.6 Ų70.619%0.18535%0.348CS..SBendtrans-61.7142.5174.2-78.4-169.8177.1166.612.6110.4R21 S23 E28 V29 R30 K34 L56 V57R21-R32 VanDerWaalsContact CB-CZ 3.49Å; R21-R32 VanDerWaalsContact CB-NH2 3.34Å; R21-R32 PolarHBondContact O-NH2 3.2Å; S23-R32 VanDerWaalsContact CB-NH2 3.29Å; S23-R32 WeakPolarHBondContact OG-CG 3.03Å; S23-R32 VanDerWaalsContact OG-CZ 3.32Å; S23-R32 PolarHBondContact OG-NE 3.48Å; S23-R32 PolarHBondContact OG-NH2 3.14Å; S23-R32 VanDerWaalsContact OG-NH2 3.11Å; E28-R32 PolarHBondContact O-N 2.73Å; E28-R32 VanDerWaalsContact O-N 3.16Å; V29-R32 VanDerWaalsContact O-CB 3.27Å; V29-R32 WeakPolarHBondContact O-CB 3.25Å; V29-R32 PolarHBondContact O-N 2.88Å; V29-R32 VanDerWaalsContact O-N 3.14Å; R30-R32 VanDerWaalsContact C-N 3.26Å; R30-R32 PolarHBondContact O-N 2.96Å; R32-K34 PolarHBondContact O-N 2.77Å; R32-L56 CarbonylContact O-C 3.55Å; R32-L56 WeakPolarHBondContact O-CA 3.17Å; R32-V57 HydrophobicContact CB-CB 4.14Å; R32-V57 HydrophobicContact CB-CG2 3.57Å; R32-V57 PolarHBondContact O-N 2.84Å
33K86.1Confident80.7Confident46 Ų4668.3 Ų68.320%0.234%0.344CS..EExtended strand (participates in β ladder)trans-80.5119.6170.4-65.5170.2-176.7-175.10108.3V14 M18 I55 L56V14-K33 HydrophobicContact CG1-CD 3.83Å; M18-K33 HydrophobicContact CE-CB 4.32Å; M18-K33 WeakPolarHBondContact CE-O 3.21Å; M18-K33 HydrophobicContact CG-CB 3.94Å; M18-K33 HydrophobicContact SD-CB 4.1Å; K33-I55 CarbonylContact C-O 3.45Å; K33-L56 HydrophobicContact CG-CD2 3.88Å
34K86.9Confident81.9Confident6 Ų672.9 Ų72.93%0.02636%0.357CS..EExtended strand (participates in β ladder)trans-79.2-50.6169.2-170.675.6174.6157.90110.5M18 R32 I55 V57 I60 Y85 D86 T88 E162M18-K34 WeakPolarHBondContact CE-O 3.48Å; R32-K34 PolarHBondContact O-N 2.77Å; K34-I55 WeakPolarHBondContact CA-O 3.23Å; K34-I55 HydrophobicContact CB-CB 4.46Å; K34-I55 HydrophobicContact CB-CG2 4.27Å; K34-I55 WeakPolarHBondContact CB-O 3.22Å; K34-I55 PolarHBondContact N-O 2.92Å; K34-V57 HydrophobicContact CB-CG2 3.99Å; K34-V57 HydrophobicContact CD-CG2 3.98Å; K34-I60 HydrophobicContact CB-CD1 3.87Å; K34-I60 HydrophobicContact CD-CD1 3.54Å; K34-I60 HydrophobicContact CG-CD1 3.51Å; K34-Y85 HydrophobicContact CG-CE2 4.48Å; K34-D86 HydrophobicContact CD-CB 4.45Å; K34-D86 WeakPolarHBondContact CD-O 3.5Å; K34-D86 WeakPolarHBondContact CE-O 3.28Å; K34-D86 PolarHBondContact NZ-O 3.43Å; K34-D86 IonicContact NZ-OD1 3.12Å; K34-D86 PolarHBondContact NZ-OD1 2.83Å; K34-D86 PolarHBondContact O-N 3.04Å; K34-T88 PolarHBondContact NZ-OG1 2.74Å; K34-E162 WeakPolarHBondContact CE-OE1 2.78Å
35A88.3Confident83Confident0 Ų073.4 Ų73.40%034%0.344CS..EExtended strand (participates in β ladder)trans-129.1145.2178.300000109.6Q54 I55 F71 L84 Y85A35-Q54 CarbonylContact O-C 3.54Å; A35-Q54 WeakPolarHBondContact O-CA 3.36Å; A35-Q54 WeakPolarHBondContact O-CB 3.23Å; A35-I55 HydrophobicContact CB-CB 3.89Å; A35-I55 HydrophobicContact CB-CD1 4.02Å; A35-I55 HydrophobicContact CB-CG1 4.03Å; A35-I55 PolarHBondContact N-O 3.11Å; A35-I55 VanDerWaalsContact N-O 3.12Å; A35-I55 PolarHBondContact O-N 3.3Å; A35-F71 HydrophobicContact CB-CD2 3.93Å; A35-L84 CarbonylContact C-O 3.55Å; A35-L84 VanDerWaalsContact CA-O 3.27Å; A35-L84 WeakPolarHBondContact CA-O 3.49Å; A35-Y85 HydrophobicContact CB-CD2 3.57Å; A35-Y85 HydrophobicContact CB-CE2 3.87Å
36V90.3Very high83.6Confident0 Ų075 Ų750%034%0.344CS..EExtended strand (participates in β ladder)trans-144.7132.9171.656.30000109.4V14 M18 F38 V49 Q54 A83 L84V14-V36 HydrophobicContact CG1-CB 4.4Å; V14-V36 HydrophobicContact CG1-CG1 3.91Å; V14-V36 HydrophobicContact CG1-CG2 4.19Å; M18-V36 HydrophobicContact CE-CG1 4.27Å; M18-V36 HydrophobicContact SD-CG1 3.51Å; M18-V36 VanDerWaalsContact SD-CG1 3.51Å; V36-F38 HydrophobicContact CB-CZ 4.27Å; V36-F38 HydrophobicContact CG1-CE1 4.22Å; V36-F38 HydrophobicContact CG1-CE2 3.74Å; V36-F38 HydrophobicContact CG1-CZ 3.37Å; V36-F38 HydrophobicContact CG2-CE1 3.96Å; V36-F38 HydrophobicContact CG2-CZ 3.95Å; V36-V49 HydrophobicContact CG2-CG1 3.61Å; V36-Q54 HydrophobicContact CB-CB 4.38Å; V36-Q54 HydrophobicContact CG2-CB 4.38Å; V36-A83 CarbonylContact O-C 3.55Å; V36-A83 WeakPolarHBondContact O-CA 3.38Å; V36-A83 WeakPolarHBondContact O-CB 2.88Å; V36-L84 HydrophobicContact CG1-CB 3.83Å; V36-L84 PolarHBondContact N-O 3.13Å; V36-L84 PolarHBondContact O-N 2.68Å
37L90.7Very high84.5Confident0 Ų067.1 Ų67.10%031%0.307CS..EExtended strand (participates in β ladder)trans-94.1145.9173.7-75.378.5000110.4E50 K53 F71 L74 L75 Y82 A83L37-E50 HydrophobicContact CB-CB 4.35Å; L37-E50 PolarHBondContact O-N 3.45Å; L37-K53 HydrophobicContact CB-CB 3.99Å; L37-K53 HydrophobicContact CD1-CB 4.07Å; L37-K53 WeakPolarHBondContact CD1-O 3.43Å; L37-K53 HydrophobicContact CD2-CB 4.19Å; L37-K53 HydrophobicContact CD2-CD 4.16Å; L37-K53 HydrophobicContact CG-CB 4.3Å; L37-K53 PolarHBondContact N-O 2.93Å; L37-F71 HydrophobicContact CD1-CD2 3.76Å; L37-F71 HydrophobicContact CD1-CE2 3.58Å; L37-F71 HydrophobicContact CG-CE2 4.15Å; L37-L74 HydrophobicContact CD1-CB 4.46Å; L37-L74 HydrophobicContact CD2-CB 4.48Å; L37-L75 HydrophobicContact CD2-CD2 3.75Å; L37-L75 HydrophobicContact CG-CD2 4.47Å; L37-Y82 CarbonylContact C-O 3.5Å; L37-Y82 WeakPolarHBondContact CA-O 3.46Å; L37-A83 HydrophobicContact CG-CB 4.26Å
38F91Very high85.2Confident0 Ų062.8 Ų62.80%029%0.288CS..EExtended strand (participates in β ladder)trans-124.7139.9173.3-48.2-80.4000108.7V11 V14 V36 I47 I48 V49 Y82 L84 F128V11-F38 HydrophobicContact CB-CD1 4.19Å; V11-F38 HydrophobicContact CB-CE1 4.16Å; V11-F38 HydrophobicContact CG1-CD1 3.68Å; V11-F38 HydrophobicContact CG1-CE1 3.62Å; V11-F38 HydrophobicContact CG1-CG 4.3Å; V11-F38 HydrophobicContact CG1-CZ 4.2Å; V11-F38 HydrophobicContact CG2-CD1 3.77Å; V11-F38 HydrophobicContact CG2-CE1 4.16Å; V14-F38 HydrophobicContact CG1-CZ 4.42Å; V36-F38 HydrophobicContact CB-CZ 4.27Å; V36-F38 HydrophobicContact CG1-CE1 4.22Å; V36-F38 HydrophobicContact CG1-CE2 3.74Å; V36-F38 HydrophobicContact CG1-CZ 3.37Å; V36-F38 HydrophobicContact CG2-CE1 3.96Å; V36-F38 HydrophobicContact CG2-CZ 3.95Å; F38-I47 HydrophobicContact CB-CG2 3.94Å; F38-I48 VanDerWaalsContact CA-O 3.28Å; F38-I48 WeakPolarHBondContact CA-O 3.37Å; F38-I48 WeakPolarHBondContact CB-O 3.48Å; F38-V49 HydrophobicContact CD1-CB 4.28Å; F38-V49 HydrophobicContact CD1-CG1 4.37Å; F38-V49 HydrophobicContact CD1-CG2 3.99Å; F38-V49 HydrophobicContact CE1-CB 4.43Å; F38-V49 HydrophobicContact CE1-CG1 4.26Å; F38-V49 HydrophobicContact CE1-CG2 3.87Å; F38-Y82 PolarHBondContact N-O 3.47Å; F38-Y82 PolarHBondContact O-N 2.84Å; F38-L84 HydrophobicContact CE2-CB 3.98Å; F38-L84 HydrophobicContact CE2-CD1 3.68Å; F38-L84 HydrophobicContact CE2-CG 3.68Å; F38-L84 HydrophobicContact CZ-CB 4.49Å; F38-L84 HydrophobicContact CZ-CD1 3.75Å; F38-L84 HydrophobicContact CZ-CG 4.25Å; F38-F128 HydrophobicContact CE2-CE2 4.44Å; F38-F128 HydrophobicContact CE2-CZ 4.15Å; F38-F128 HydrophobicContact CZ-CZ 4.21Å
39C89.5Confident85.8Confident22 Ų2259.4 Ų59.415%0.14927%0.273CS..EExtended strand (participates in β ladder)trans-123.7165.6173.589.10000110.4I47 I48 Y117C39-I47 WeakPolarHBondContact O-CA 3.42Å; C39-I48 PolarHBondContact N-O 2.83Å; C39-I48 PolarHBondContact O-N 2.78Å; C39-Y117 WeakPolarHBondContact CA-OH 3.3Å
40L88.3Confident86.3Confident18 Ų1858.4 Ų58.49%0.09427%0.265CS..EExtended strand (participates in β ladder)trans-77.6135.6164.7-70.3168.5000108.7V5 K46 I47 I116 Y117V5-L40 HydrophobicContact CG1-CD2 3.68Å; L40-K46 WeakPolarHBondContact CA-O 3.33Å; L40-I47 HydrophobicContact CD2-CG1 3.7Å; L40-I116 HydrophobicContact CD1-CB 4.19Å; L40-I116 HydrophobicContact CD1-CG2 3.56Å; L40-Y117 HydrophobicContact CB-CE2 4.27Å; L40-Y117 HydrophobicContact CD1-CD1 4.19Å; L40-Y117 HydrophobicContact CD1-CD2 3.4Å; L40-Y117 HydrophobicContact CD1-CE1 4.11Å; L40-Y117 HydrophobicContact CD1-CE2 3.37Å; L40-Y117 HydrophobicContact CD1-CG 3.83Å; L40-Y117 HydrophobicContact CG-CD1 4.32Å; L40-Y117 HydrophobicContact CG-CD2 4.23Å; L40-Y117 HydrophobicContact CG-CE1 3.88Å; L40-Y117 HydrophobicContact CG-CE2 3.85Å; L40-Y117 HydrophobicContact CG-CG 4.46Å; L40-Y117 PolarHBondContact N-OH 3.36Å
41S87Confident86.1Confident28 Ų2860.9 Ų60.920%0.19628%0.282CS..  trans-52.4159167.8-160.80000110.6D43 R44 K46S41-D43 PolarHBondContact O-N 2.9Å; S41-D43 VanDerWaalsContact O-N 3.14Å; S41-R44 VanDerWaalsContact O-CA 3.3Å; S41-R44 WeakPolarHBondContact O-CA 3.31Å; S41-R44 PolarHBondContact O-N 3.32Å; S41-K46 WeakPolarHBondContact CB-O 3.25Å; S41-K46 PolarHBondContact N-O 2.84Å
42E82.5Confident85.6Confident188 Ų18857.1 Ų57.188%0.87929%0.285SS*.THydrogen-bonded Turntrans-53.9-37.3179.1-65.1-173.985.600112.8R44E42-R44 PolarHBondContact O-N 2.96Å
43D83.2Confident85.6Confident117 Ų11757.3 Ų57.363%0.62629%0.287SS*.THydrogen-bonded Turntrans-68.3-10.6173.9-60.5-91.3000114.8S41 K45S41-D43 PolarHBondContact O-N 2.9Å; S41-D43 VanDerWaalsContact O-N 3.14Å; D43-K45 HydrophobicContact CB-CB 4.37Å; D43-K45 HydrophobicContact CB-CD 4.43Å; D43-K45 HydrophobicContact CB-CG 4.48Å; D43-K45 WeakPolarHBondContact O-CG 3.39Å; D43-K45 PolarHBondContact O-N 2.8Å
44R79.8Confident85.5Confident119 Ų11958.6 Ų58.645%0.44929%0.293SS..SBendtrans55.418.5-175.9-52.6174.3-141.1-145.82114.6V5 S41 E42 I116V5-R44 WeakPolarHBondContact CG2-O 3.35Å; S41-R44 VanDerWaalsContact O-CA 3.3Å; S41-R44 WeakPolarHBondContact O-CA 3.31Å; S41-R44 PolarHBondContact O-N 3.32Å; E42-R44 PolarHBondContact O-N 2.96Å; R44-I116 HydrophobicContact CB-CD1 4.29Å; R44-I116 HydrophobicContact CB-CG2 4.32Å; R44-I116 HydrophobicContact CG-CD1 4.38Å
45K83.6Confident85.4Confident137 Ų13758.6 Ų58.660%0.59629%0.294SS*.SBendtrans-100.8-12.7180-74.1173.6-177.4174.50113.4V5 T6 D43V5-K45 CarbonylContact C-O 3.54Å; V5-K45 WeakPolarHBondContact CA-O 3.42Å; T6-K45 PolarHBondContact N-O 2.86Å; T6-K45 PolarHBondContact OG1-O 3.32Å; T6-K45 VanDerWaalsContact OG1-O 3.1Å; D43-K45 HydrophobicContact CB-CB 4.37Å; D43-K45 HydrophobicContact CB-CD 4.43Å; D43-K45 HydrophobicContact CB-CG 4.48Å; D43-K45 WeakPolarHBondContact O-CG 3.39Å; D43-K45 PolarHBondContact O-N 2.8Å
46K88Confident85.3Confident114 Ų11460.7 Ų60.750%0.49631%0.305SS..EExtended strand (participates in β ladder)trans-135.1140.4-176.9-61.3-173.3180178.30110.4T6 L40 S41 I48T6-K46 CarbonylContact O-C 3.58Å; T6-K46 WeakPolarHBondContact O-CA 3.44Å; T6-K46 WeakPolarHBondContact OG1-CG 3.29Å; L40-K46 WeakPolarHBondContact CA-O 3.33Å; S41-K46 WeakPolarHBondContact CB-O 3.25Å; S41-K46 PolarHBondContact N-O 2.84Å; K46-I48 HydrophobicContact CB-CG2 4.4Å
47I90.1Very high84.9Confident0 Ų062.7 Ų62.70%032%0.317CS..EExtended strand (participates in β ladder)trans-92.5124.7166.9-58.4167.8000107.2V5 T6 V7 N8 V11 F38 C39 L40 Y82 I124V5-I47 HydrophobicContact CG1-CD1 4.24Å; V5-I47 HydrophobicContact CG1-CG1 3.78Å; T6-I47 PolarHBondContact O-N 2.99Å; V7-I47 HydrophobicContact CG2-CD1 4.31Å; N8-I47 WeakPolarHBondContact CB-O 3.5Å; N8-I47 PolarHBondContact N-O 3.41Å; V11-I47 HydrophobicContact CG2-CG2 4.3Å; V11-I47 WeakPolarHBondContact CG2-O 3.18Å; F38-I47 HydrophobicContact CB-CG2 3.94Å; C39-I47 WeakPolarHBondContact O-CA 3.42Å; L40-I47 HydrophobicContact CD2-CG1 3.7Å; I47-Y82 HydrophobicContact CD1-CE2 3.92Å; I47-Y82 HydrophobicContact CG1-CE2 4.34Å; I47-Y82 HydrophobicContact CG2-CD2 4.31Å; I47-I124 HydrophobicContact CD1-CB 3.7Å; I47-I124 HydrophobicContact CD1-CD1 4.21Å; I47-I124 HydrophobicContact CD1-CG1 4.25Å; I47-I124 HydrophobicContact CD1-CG2 4.38Å; I47-I124 HydrophobicContact CG2-CD1 4Å
48I90.9Very high84.3Confident48 Ų4863.6 Ų63.625%0.24633%0.326CS..EExtended strand (participates in β ladder)trans-121157.4-178.161.3173.1000110.1N8 F38 C39 K46N8-I48 HydrophobicContact CB-CG2 4.2Å; F38-I48 VanDerWaalsContact CA-O 3.28Å; F38-I48 WeakPolarHBondContact CA-O 3.37Å; F38-I48 WeakPolarHBondContact CB-O 3.48Å; C39-I48 PolarHBondContact N-O 2.83Å; C39-I48 PolarHBondContact O-N 2.78Å; K46-I48 HydrophobicContact CB-CG2 4.4Å
49V90.7Very high83.7Confident21 Ų2166.1 Ų66.113%0.12734%0.339CS..EExtended strand (participates in β ladder)trans-75135.6172.4-169.90000108.2E10 V11 V14 V36 F38 E51E10-V49 HydrophobicContact CB-CG2 4.13Å; V11-V49 HydrophobicContact CB-CG2 4.39Å; V11-V49 HydrophobicContact CG2-CG2 3.75Å; V14-V49 HydrophobicContact CG2-CG2 4.15Å; V36-V49 HydrophobicContact CG2-CG1 3.61Å; F38-V49 HydrophobicContact CD1-CB 4.28Å; F38-V49 HydrophobicContact CD1-CG1 4.37Å; F38-V49 HydrophobicContact CD1-CG2 3.99Å; F38-V49 HydrophobicContact CE1-CB 4.43Å; F38-V49 HydrophobicContact CE1-CG1 4.26Å; F38-V49 HydrophobicContact CE1-CG2 3.87Å; V49-E51 PolarHBondContact O-N 2.91Å
50E86.8Confident82.9Confident37 Ų3767.7 Ų67.717%0.17335%0.346CS..EExtended strand (participates in β ladder)trans-87.499.7176-165.9162.739.600110.3L37 G52 K53 R81L37-E50 HydrophobicContact CB-CB 4.35Å; L37-E50 PolarHBondContact O-N 3.45Å; E50-G52 PolarHBondContact O-N 3.46Å; E50-K53 HydrophobicContact CB-CB 4.45Å; E50-K53 HydrophobicContact CG-CB 4.29Å; E50-K53 HydrophobicContact CG-CD 4.36Å; E50-K53 HydrophobicContact CG-CG 4.36Å; E50-K53 PolarHBondContact O-N 3.37Å; E50-K53 VanDerWaalsContact O-N 3.14Å; E50-K53 WeakPolarHBondContact OE1-CD 3.28Å; E50-R81 VanDerWaalsContact CD-CZ 3.42Å; E50-R81 VanDerWaalsContact CD-NH1 3.34Å; E50-R81 IonicContact OE1-CZ 3.04Å; E50-R81 IonicContact OE1-NE 2.65Å; E50-R81 PolarHBondContact OE1-NE 2.82Å; E50-R81 IonicContact OE1-NH1 2.83Å; E50-R81 PolarHBondContact OE1-NH1 2.95Å; E50-R81 IonicContact OE1-NH2 3.98Å; E50-R81 PolarHBondContact OE1-NH2 3.1Å; E50-R81 IonicContact OE2-CZ 2.68Å; E50-R81 IonicContact OE2-NE 3.4Å; E50-R81 IonicContact OE2-NH1 3.52Å; E50-R81 PolarHBondContact OE2-NH1 3.43Å; E50-R81 IonicContact OE2-NH2 3.37Å; E50-R81 PolarHBondContact OE2-NH2 3.33Å
51E73.1Confident81.9Confident183 Ų18370 Ų7086%0.85537%0.374SS*.EExtended strand (participates in β ladder)trans-61.2126.3177.9-62-1758900110.2V49V49-E51 PolarHBondContact O-N 2.91Å
52G69.5Low81Confident66 Ų6674.8 Ų74.868%0.6839%0.393SS*.EExtended strand (participates in β ladder)trans95-9.5-176.400000115.2E50E50-G52 PolarHBondContact O-N 3.46Å
53K80.4Confident80.2Confident53 Ų5370.9 Ų70.923%0.2338%0.382CS..EExtended strand (participates in β ladder)trans-115.759173.3-63.4-165.6176.7-167.70111.1L37 E50 L74 R81L37-K53 HydrophobicContact CB-CB 3.99Å; L37-K53 HydrophobicContact CD1-CB 4.07Å; L37-K53 WeakPolarHBondContact CD1-O 3.43Å; L37-K53 HydrophobicContact CD2-CB 4.19Å; L37-K53 HydrophobicContact CD2-CD 4.16Å; L37-K53 HydrophobicContact CG-CB 4.3Å; L37-K53 PolarHBondContact N-O 2.93Å; E50-K53 HydrophobicContact CB-CB 4.45Å; E50-K53 HydrophobicContact CG-CB 4.29Å; E50-K53 HydrophobicContact CG-CD 4.36Å; E50-K53 HydrophobicContact CG-CG 4.36Å; E50-K53 PolarHBondContact O-N 3.37Å; E50-K53 VanDerWaalsContact O-N 3.14Å; E50-K53 WeakPolarHBondContact OE1-CD 3.28Å; K53-L74 HydrophobicContact CD-CB 4.45Å; K53-L74 HydrophobicContact CG-CD2 4.19Å; K53-L74 PolarHBondContact NZ-O 2.84Å; K53-R81 VanDerWaalsContact CE-NH1 3.31Å
54Q84.1Confident79.6Confident73 Ų7366.4 Ų66.434%0.34136%0.359SS..EExtended strand (participates in β ladder)trans-131.6146.217362.4-177.916.500108.8A35 V36A35-Q54 CarbonylContact O-C 3.54Å; A35-Q54 WeakPolarHBondContact O-CA 3.36Å; A35-Q54 WeakPolarHBondContact O-CB 3.23Å; V36-Q54 HydrophobicContact CB-CB 4.38Å; V36-Q54 HydrophobicContact CG2-CB 4.38Å
55I85.5Confident79.1Confident6 Ų668.9 Ų68.93%0.03138%0.376CS..EExtended strand (participates in β ladder)trans-113.3129.3176.6-57.6178.9000106.5K33 K34 A35 P67 C70 F71 L74K33-I55 CarbonylContact C-O 3.45Å; K34-I55 WeakPolarHBondContact CA-O 3.23Å; K34-I55 HydrophobicContact CB-CB 4.46Å; K34-I55 HydrophobicContact CB-CG2 4.27Å; K34-I55 WeakPolarHBondContact CB-O 3.22Å; K34-I55 PolarHBondContact N-O 2.92Å; A35-I55 HydrophobicContact CB-CB 3.89Å; A35-I55 HydrophobicContact CB-CD1 4.02Å; A35-I55 HydrophobicContact CB-CG1 4.03Å; A35-I55 PolarHBondContact N-O 3.11Å; A35-I55 VanDerWaalsContact N-O 3.12Å; A35-I55 PolarHBondContact O-N 3.3Å; I55-P67 VanDerWaalsContact CD1-O 3.23Å; I55-P67 WeakPolarHBondContact CD1-O 3.27Å; I55-P67 HydrophobicContact CG2-CB 4.31Å; I55-C70 HydrophobicContact CD1-CB 4.08Å; I55-F71 HydrophobicContact CD1-CB 3.73Å; I55-L74 HydrophobicContact CD1-CD1 4.24Å; I55-L74 HydrophobicContact CG1-CD1 4.08Å
56L86Confident78.8Confident45 Ų4564 Ų6424%0.23636%0.356CS..EExtended strand (participates in β ladder)trans-92150.4175.1-56.2177.6000110.1R32 K33 G58 D59R32-L56 CarbonylContact O-C 3.55Å; R32-L56 WeakPolarHBondContact O-CA 3.17Å; K33-L56 HydrophobicContact CG-CD2 3.88Å; L56-G58 PolarHBondContact O-N 3.11Å; L56-D59 PolarHBondContact O-N 3.32Å
57V82.3Confident78.4Confident42 Ų4258.7 Ų58.726%0.25533%0.334SS..G310 helixtrans-62.9-34.5176.1178.20000110.5V29 R32 K34 D59 I60V29-V57 HydrophobicContact CG1-CG1 4.49Å; R32-V57 HydrophobicContact CB-CB 4.14Å; R32-V57 HydrophobicContact CB-CG2 3.57Å; R32-V57 PolarHBondContact O-N 2.84Å; K34-V57 HydrophobicContact CB-CG2 3.99Å; K34-V57 HydrophobicContact CD-CG2 3.98Å; V57-D59 VanDerWaalsContact C-N 3.3Å; V57-D59 PolarHBondContact O-N 3.44Å; V57-I60 VanDerWaalsContact O-CB 3.32Å; V57-I60 WeakPolarHBondContact O-CB 3.43Å; V57-I60 PolarHBondContact O-N 3.26Å; V57-I60 VanDerWaalsContact O-N 3.16Å
58G77.7Confident77.9Confident18 Ų1858.9 Ų58.919%0.18633%0.334CS..G310 helixtrans-68.8-25.3177.900000114.4R30 L56 I60R30-G58 WeakPolarHBondContact O-CA 3.43Å; R30-G58 PolarHBondContact O-N 3.04Å; L56-G58 PolarHBondContact O-N 3.11Å; G58-I60 PolarHBondContact O-N 3.42Å
59D78.4Confident77.4Confident53 Ų5357.8 Ų57.828%0.28334%0.335SS..G310 helixtrans-71.4-20.5173.1-82.5-78.8000112L56 V57 G61 E62 T63 V64L56-D59 PolarHBondContact O-N 3.32Å; V57-D59 VanDerWaalsContact C-N 3.3Å; V57-D59 PolarHBondContact O-N 3.44Å; D59-G61 PolarHBondContact O-N 2.93Å; D59-E62 PolarHBondContact O-N 3.15Å; D59-T63 PolarHBondContact O-N 3.31Å; D59-T63 WeakPolarHBondContact OD1-CB 3.13Å; D59-T63 PolarHBondContact OD1-OG1 3.3Å; D59-V64 HydrophobicContact CB-CG2 4.12Å; D59-V64 PolarHBondContact O-N 2.76Å
60I74.1Confident77Confident55 Ų5558.9 Ų58.928%0.28234%0.343SS..BIsolated β-bridgetrans-73.3113.1-178.4-51.9172.7000109.2K34 V57 G58 V64 P67K34-I60 HydrophobicContact CB-CD1 3.87Å; K34-I60 HydrophobicContact CD-CD1 3.54Å; K34-I60 HydrophobicContact CG-CD1 3.51Å; V57-I60 VanDerWaalsContact O-CB 3.32Å; V57-I60 WeakPolarHBondContact O-CB 3.43Å; V57-I60 PolarHBondContact O-N 3.26Å; V57-I60 VanDerWaalsContact O-N 3.16Å; G58-I60 PolarHBondContact O-N 3.42Å; I60-V64 WeakPolarHBondContact CA-O 3.28Å; I60-P67 HydrophobicContact CD1-CB 3.98Å; I60-P67 HydrophobicContact CD1-CG 4.01Å; I60-P67 HydrophobicContact CG1-CB 3.99Å; I60-P67 HydrophobicContact CG1-CG 4.13Å; I60-P67 HydrophobicContact CG2-CG 3.96Å
61G66Low76.9Confident66 Ų6657.1 Ų57.168%0.6833%0.334SS*.THydrogen-bonded Turntrans91.6-8.8-177.200000115.6D59 V64D59-G61 PolarHBondContact O-N 2.93Å; G61-V64 PolarHBondContact N-O 2.81Å
62E68Low77.3Confident130 Ų13049.4 Ų49.461%0.60730%0.3SS*.THydrogen-bonded Turntrans-101.5-65.4167-98.1-174.765.600110.3R30 D59R30-E62 IonicContact CZ-OE2 2.76Å; R30-E62 VanDerWaalsContact CZ-OE2 3.26Å; R30-E62 IonicContact NH1-OE2 3.39Å; R30-E62 PolarHBondContact NH1-OE2 2.86Å; R30-E62 IonicContact NH2-OE2 2.93Å; R30-E62 PolarHBondContact NH2-OE2 3.32Å; D59-E62 PolarHBondContact O-N 3.15Å
63T66.5Low77.9Confident105 Ų10555 Ų5564%0.64431%0.306SS*.THydrogen-bonded Turntrans-102.4-25.9-175.1-19.70000112.4D59D59-T63 PolarHBondContact O-N 3.31Å; D59-T63 WeakPolarHBondContact OD1-CB 3.13Å; D59-T63 PolarHBondContact OD1-OG1 3.3Å
64V71.3Confident77.9Confident24 Ų2454.5 Ų54.515%0.14531%0.305CS..BIsolated β-bridgetrans-12799-172.6-177.20000109.3D59 I60 G61 D66 P67 C70D59-V64 HydrophobicContact CB-CG2 4.12Å; D59-V64 PolarHBondContact O-N 2.76Å; I60-V64 WeakPolarHBondContact CA-O 3.28Å; G61-V64 PolarHBondContact N-O 2.81Å; V64-D66 VanDerWaalsContact C-N 3.29Å; V64-P67 HydrophobicContact CG1-CB 4.39Å; V64-C70 HydrophobicContact CG1-CB 3.68Å
65E68.4Low77.9Confident170 Ų17051.6 Ų51.679%0.79429%0.292SS*.SBendtrans-72.2-23176-67.8-177.682.200113.4K164E65-K164 PolarHBondContact O-NZ 2.71Å
66D77.5Confident77.7Confident34 Ų3452.6 Ų52.618%0.18230%0.299CS..  trans-136.589.5179.8-152.8-95.8000109.1V64 Y68 G69 C70 R146 K164V64-D66 VanDerWaalsContact C-N 3.29Å; D66-Y68 PolarHBondContact O-N 3.39Å; D66-G69 PolarHBondContact O-N 3.3Å; D66-G69 WeakPolarHBondContact OD1-CA 3.33Å; D66-G69 PolarHBondContact OD1-N 2.98Å; D66-C70 WeakPolarHBondContact O-CB 3.07Å; D66-C70 PolarHBondContact O-N 2.84Å; D66-R146 IonicContact OD1-NH2 3.56Å; D66-R146 PolarHBondContact OD1-NH2 2.92Å; D66-R146 IonicContact OD2-CZ 2.85Å; D66-R146 IonicContact OD2-NH1 2.68Å; D66-R146 IonicContact OD2-NH2 2.95Å; D66-R146 PolarHBondContact OD2-NH2 3.13Å; D66-K164 WeakPolarHBondContact OD2-CD 3.39Å; D66-K164 WeakPolarHBondContact OD2-CE 3.15Å; D66-K164 IonicContact OD2-NZ 3.26Å; D66-K164 PolarHBondContact OD2-NZ 2.92Å
67P79.3Confident77.4Confident4 Ų453.7 Ų53.73%0.02631%0.31CS..Hα-helixtrans-57.7-38.4-179.518.9-30.8000111.5I55 I60 V64 C70 F71 E162I55-P67 VanDerWaalsContact CD1-O 3.23Å; I55-P67 WeakPolarHBondContact CD1-O 3.27Å; I55-P67 HydrophobicContact CG2-CB 4.31Å; I60-P67 HydrophobicContact CD1-CB 3.98Å; I60-P67 HydrophobicContact CD1-CG 4.01Å; I60-P67 HydrophobicContact CG1-CB 3.99Å; I60-P67 HydrophobicContact CG1-CG 4.13Å; I60-P67 HydrophobicContact CG2-CG 3.96Å; V64-P67 HydrophobicContact CG1-CB 4.39Å; P67-C70 PolarHBondContact O-N 3.33Å; P67-F71 VanDerWaalsContact O-CB 3.23Å; P67-F71 WeakPolarHBondContact O-CB 3.29Å; P67-F71 PolarHBondContact O-N 2.82Å; P67-E162 VanDerWaalsContact CG-OE1 3.23Å; P67-E162 WeakPolarHBondContact CG-OE1 3.44Å; P67-E162 WeakPolarHBondContact CG-OE2 3.49Å
68Y79.4Confident77.4Confident4 Ų456.3 Ų56.32%0.01632%0.323CS..Hα-helixtrans-63.5-51.8175.9-166.3-113.2000112.6D66 C70 F71 V72 Y85 W135 I143 Q144 D145 R146 L149D66-Y68 PolarHBondContact O-N 3.39Å; Y68-C70 VanDerWaalsContact C-N 3.28Å; Y68-C70 PolarHBondContact O-N 2.92Å; Y68-F71 WeakPolarHBondContact O-CB 3.25Å; Y68-F71 PolarHBondContact O-N 3.22Å; Y68-F71 VanDerWaalsContact O-N 3.11Å; Y68-V72 HydrophobicContact CD1-CG2 4.39Å; Y68-V72 HydrophobicContact CE1-CG2 4.37Å; Y68-V72 VanDerWaalsContact O-CG2 3.28Å; Y68-V72 WeakPolarHBondContact O-CG2 3.5Å; Y68-V72 PolarHBondContact O-N 3.35Å; Y68-Y85 HydrophobicContact CD2-CE1 4.35Å; Y68-Y85 PolarHBondContact N-OH 3.14Å; Y68-W135 HydrophobicContact CE2-CZ3 4.19Å; Y68-W135 WeakPolarHBondContact OH-CH2 3.38Å; Y68-W135 WeakPolarHBondContact OH-CZ3 3.19Å; Y68-I143 WeakPolarHBondContact CE1-O 3.33Å; Y68-I143 PolarHBondContact OH-O 3.23Å; Y68-Q144 WeakPolarHBondContact CE1-O 3.24Å; Y68-D145 PolarHBondContact OH-O 3.01Å; Y68-R146 HydrophobicContact CD1-CG 3.98Å; Y68-R146 HydrophobicContact CE1-CG 3.96Å; Y68-L149 HydrophobicContact CD2-CD2 4.06Å; Y68-L149 HydrophobicContact CE2-CB 4.44Å; Y68-L149 HydrophobicContact CE2-CD2 3.63Å
69G80.3Confident77.6Confident25 Ų2558.7 Ų58.726%0.25833%0.331SS..Hα-helixtrans-60.2-36.617600000113.3D66 K73D66-G69 PolarHBondContact O-N 3.3Å; D66-G69 WeakPolarHBondContact OD1-CA 3.33Å; D66-G69 PolarHBondContact OD1-N 2.98Å; G69-K73 WeakPolarHBondContact O-CG 3.36Å; G69-K73 PolarHBondContact O-N 2.52Å; G69-K73 VanDerWaalsContact O-N 3.15Å
70C82.3Confident78.1Confident43 Ų4356.2 Ų56.229%0.29132%0.318SS..Hα-helixtrans-65.7-45.5173.1-169.40000111.2I55 V64 D66 P67 Y68 V72 K73 L74I55-C70 HydrophobicContact CD1-CB 4.08Å; V64-C70 HydrophobicContact CG1-CB 3.68Å; D66-C70 WeakPolarHBondContact O-CB 3.07Å; D66-C70 PolarHBondContact O-N 2.84Å; P67-C70 PolarHBondContact O-N 3.33Å; Y68-C70 VanDerWaalsContact C-N 3.28Å; Y68-C70 PolarHBondContact O-N 2.92Å; C70-V72 VanDerWaalsContact C-N 3.34Å; C70-V72 PolarHBondContact O-N 2.88Å; C70-K73 WeakPolarHBondContact O-CB 3.48Å; C70-K73 PolarHBondContact O-N 2.89Å; C70-K73 VanDerWaalsContact O-N 3.11Å; C70-L74 WeakPolarHBondContact O-CG 3.48Å; C70-L74 PolarHBondContact O-N 2.92Å
71F84Confident78.8Confident0 Ų055 Ų550%031%0.31CS..Hα-helixtrans-57.8-45.2176.2172-106.1000111.9A35 L37 I55 P67 Y68 K73 L74 L75 A83 Y85 I102 I143A35-F71 HydrophobicContact CB-CD2 3.93Å; L37-F71 HydrophobicContact CD1-CD2 3.76Å; L37-F71 HydrophobicContact CD1-CE2 3.58Å; L37-F71 HydrophobicContact CG-CE2 4.15Å; I55-F71 HydrophobicContact CD1-CB 3.73Å; P67-F71 VanDerWaalsContact O-CB 3.23Å; P67-F71 WeakPolarHBondContact O-CB 3.29Å; P67-F71 PolarHBondContact O-N 2.82Å; Y68-F71 WeakPolarHBondContact O-CB 3.25Å; Y68-F71 PolarHBondContact O-N 3.22Å; Y68-F71 VanDerWaalsContact O-N 3.11Å; F71-K73 VanDerWaalsContact C-N 3.29Å; F71-K73 PolarHBondContact O-N 2.9Å; F71-L74 WeakPolarHBondContact O-CB 3.46Å; F71-L74 PolarHBondContact O-N 2.77Å; F71-L74 VanDerWaalsContact O-N 3.07Å; F71-L75 HydrophobicContact CD1-CD1 4.37Å; F71-L75 HydrophobicContact CE1-CD1 3.89Å; F71-L75 HydrophobicContact CE2-CD2 4.47Å; F71-L75 HydrophobicContact CZ-CD1 4.07Å; F71-L75 HydrophobicContact CZ-CD2 4.24Å; F71-L75 HydrophobicContact CZ-CG 4.41Å; F71-L75 PolarHBondContact O-N 3.44Å; F71-A83 HydrophobicContact CE2-CB 3.43Å; F71-A83 VanDerWaalsContact CE2-CB 3.43Å; F71-A83 HydrophobicContact CZ-CB 3.44Å; F71-A83 VanDerWaalsContact CZ-CB 3.44Å; F71-Y85 HydrophobicContact CB-CE2 4.45Å; F71-Y85 HydrophobicContact CG-CD2 4.46Å; F71-Y85 HydrophobicContact CG-CE2 4.49Å; F71-I102 HydrophobicContact CE1-CD1 3.63Å; F71-I102 HydrophobicContact CZ-CD1 3.85Å; F71-I102 HydrophobicContact CZ-CG2 4.5Å; F71-I143 HydrophobicContact CE1-CD1 3.89Å; F71-I143 HydrophobicContact CE1-CG1 4.27Å
72V82.5Confident80Confident21 Ų2151.8 Ų51.813%0.12728%0.277CS..Hα-helixtrans-59.3-40.7175.71750000111.3Y68 C70 L74 L75 L140 I143 Q144Y68-V72 HydrophobicContact CD1-CG2 4.39Å; Y68-V72 HydrophobicContact CE1-CG2 4.37Å; Y68-V72 VanDerWaalsContact O-CG2 3.28Å; Y68-V72 WeakPolarHBondContact O-CG2 3.5Å; Y68-V72 PolarHBondContact O-N 3.35Å; C70-V72 VanDerWaalsContact C-N 3.34Å; C70-V72 PolarHBondContact O-N 2.88Å; V72-L74 VanDerWaalsContact C-N 3.3Å; V72-L74 PolarHBondContact O-N 3.01Å; V72-L75 PolarHBondContact O-N 3.2Å; V72-L140 HydrophobicContact CG1-CD2 4.42Å; V72-I143 HydrophobicContact CG1-CG2 4.04Å; V72-I143 HydrophobicContact CG2-CG1 4.23Å; V72-I143 HydrophobicContact CG2-CG2 4.12Å; V72-I143 VanDerWaalsContact CG2-O 3.27Å; V72-I143 WeakPolarHBondContact CG2-O 3.36Å; V72-Q144 HydrophobicContact CG1-CB 4.42Å
73K82Confident81.1Confident185 Ų18545.6 Ų45.680%0.80425%0.248SC*.Hα-helixtrans-68.5-25.3176.2-72.3178.2179.4-177.60113.8G69 C70 F71 L75G69-K73 WeakPolarHBondContact O-CG 3.36Å; G69-K73 PolarHBondContact O-N 2.52Å; G69-K73 VanDerWaalsContact O-N 3.15Å; C70-K73 WeakPolarHBondContact O-CB 3.48Å; C70-K73 PolarHBondContact O-N 2.89Å; C70-K73 VanDerWaalsContact O-N 3.11Å; F71-K73 VanDerWaalsContact C-N 3.29Å; F71-K73 PolarHBondContact O-N 2.9Å; K73-L75 VanDerWaalsContact C-N 3.3Å
74L81.4Confident82.2Confident42 Ų4240.6 Ų40.622%0.2222%0.218CC..Hα-helixtrans-76.3-19.7177.5-69170000112.6L37 K53 I55 C70 F71 V72L37-L74 HydrophobicContact CD1-CB 4.46Å; L37-L74 HydrophobicContact CD2-CB 4.48Å; K53-L74 HydrophobicContact CD-CB 4.45Å; K53-L74 HydrophobicContact CG-CD2 4.19Å; K53-L74 PolarHBondContact NZ-O 2.84Å; I55-L74 HydrophobicContact CD1-CD1 4.24Å; I55-L74 HydrophobicContact CG1-CD1 4.08Å; C70-L74 WeakPolarHBondContact O-CG 3.48Å; C70-L74 PolarHBondContact O-N 2.92Å; F71-L74 WeakPolarHBondContact O-CB 3.46Å; F71-L74 PolarHBondContact O-N 2.77Å; F71-L74 VanDerWaalsContact O-N 3.07Å; V72-L74 VanDerWaalsContact C-N 3.3Å; V72-L74 PolarHBondContact O-N 3.01Å
75L82.8Confident83.1Confident11 Ų1139.5 Ų39.56%0.05821%0.211CC..SBendtrans-78.5126.7-179-66.6168.2000111.4L37 F71 V72 K73 W104 I143L37-L75 HydrophobicContact CD2-CD2 3.75Å; L37-L75 HydrophobicContact CG-CD2 4.47Å; F71-L75 HydrophobicContact CD1-CD1 4.37Å; F71-L75 HydrophobicContact CE1-CD1 3.89Å; F71-L75 HydrophobicContact CE2-CD2 4.47Å; F71-L75 HydrophobicContact CZ-CD1 4.07Å; F71-L75 HydrophobicContact CZ-CD2 4.24Å; F71-L75 HydrophobicContact CZ-CG 4.41Å; F71-L75 PolarHBondContact O-N 3.44Å; V72-L75 PolarHBondContact O-N 3.2Å; K73-L75 VanDerWaalsContact C-N 3.3Å; L75-W104 HydrophobicContact CB-CD2 4.32Å; L75-W104 HydrophobicContact CB-CG 4.48Å; L75-W104 HydrophobicContact CB-CZ2 4.47Å; L75-W104 HydrophobicContact CD1-CD2 4.06Å; L75-W104 HydrophobicContact CD1-CE3 4.07Å; L75-W104 HydrophobicContact CD1-CG 4.36Å; L75-W104 HydrophobicContact CD2-CB 3.98Å; L75-W104 HydrophobicContact CD2-CD2 4.33Å; L75-W104 HydrophobicContact CD2-CG 3.82Å; L75-W104 HydrophobicContact CG-CD2 4.49Å; L75-W104 HydrophobicContact CG-CG 4.47Å; L75-I143 HydrophobicContact CD1-CD1 3.3Å; L75-I143 HydrophobicContact CD1-CG1 4.02Å; L75-I143 HydrophobicContact CD1-CG2 4.28Å
76P81.3Confident84.1Confident28 Ų2831.9 Ų31.918%0.18218%0.175CC..  trans-77.4135.8176.331.5-33.6000110.7N78 D79 R81 W104P76-N78 PolarHBondContact O-N 3.17Å; P76-D79 HydrophobicContact CB-CB 4.18Å; P76-D79 HydrophobicContact CG-CB 3.71Å; P76-R81 HydrophobicContact CG-CG 4.35Å; P76-R81 VanDerWaalsContact CG-NE 3.31Å; P76-W104 PolarHBondContact O-NE1 3.42Å
77S79.4Confident84.5Confident67 Ų6730.2 Ų30.247%0.46917%0.167SC..THydrogen-bonded Turntrans-69.1-21.2172.847.10000113.4P106S77-P106 VanDerWaalsContact O-CB 3.3Å; S77-P106 WeakPolarHBondContact O-CB 3.45Å; S77-P106 WeakPolarHBondContact O-CG 3.27Å
78N82.3Confident84.8Confident98 Ų9830.7 Ų30.752%0.52417%0.169SC..THydrogen-bonded Turntrans-102.2-1.6-173.3-147.267.4000114.2P76 A109 P110P76-N78 PolarHBondContact O-N 3.17Å; N78-A109 WeakPolarHBondContact O-CA 3.04Å; N78-P110 VanDerWaalsContact O-CD 3.26Å; N78-P110 WeakPolarHBondContact O-CD 3.44Å
79D83.4Confident85.1Confident68 Ų6831.1 Ų31.136%0.36417%0.171SC..SBendtrans-139.4150.9-175.6-88-73.7000112.5P76 W104 P106P76-D79 HydrophobicContact CB-CB 4.18Å; P76-D79 HydrophobicContact CG-CB 3.71Å; D79-W104 VanDerWaalsContact O-CD1 3.28Å; D79-W104 PolarHBondContact O-NE1 2.99Å; D79-P106 VanDerWaalsContact O-CD 3.3Å; D79-P106 WeakPolarHBondContact O-CD 3.41Å; D79-P106 WeakPolarHBondContact O-CG 3.41Å
80C87.3Confident85.4Confident0 Ų033.4 Ų33.40%018%0.175CC..  trans-88.4146.7174.8-53.90000110.3W104 A109 K114 Y117C80-W104 CarbonylContact C-O 3.48Å; C80-W104 WeakPolarHBondContact CA-O 3.46Å; C80-W104 WeakPolarHBondContact CB-O 3.13Å; C80-A109 VanDerWaalsContact SG-CB 3.52Å; C80-K114 WeakPolarHBondContact SG-CG 3.02Å; C80-Y117 HydrophobicContact CB-CD1 4.24Å; C80-Y117 HydrophobicContact CB-CD2 3.54Å; C80-Y117 HydrophobicContact CB-CE2 3.85Å; C80-Y117 HydrophobicContact CB-CG 3.77Å; C80-Y117 VanDerWaalsContact O-CE2 3.26Å; C80-Y117 WeakPolarHBondContact O-CE2 3.33Å; C80-Y117 PolarHBondContact O-OH 2.95Å
81R90.8Very high85.6Confident29 Ų2932.2 Ų32.211%0.10917%0.167CC..EExtended strand (participates in β ladder)trans-147.8158.1177.1-65.8-172.3-178.7-172.5-13.5111.1E50 K53 P76 W104E50-R81 VanDerWaalsContact CD-CZ 3.42Å; E50-R81 VanDerWaalsContact CD-NH1 3.34Å; E50-R81 IonicContact OE1-CZ 3.04Å; E50-R81 IonicContact OE1-NE 2.65Å; E50-R81 PolarHBondContact OE1-NE 2.82Å; E50-R81 IonicContact OE1-NH1 2.83Å; E50-R81 PolarHBondContact OE1-NH1 2.95Å; E50-R81 IonicContact OE1-NH2 3.98Å; E50-R81 PolarHBondContact OE1-NH2 3.1Å; E50-R81 IonicContact OE2-CZ 2.68Å; E50-R81 IonicContact OE2-NE 3.4Å; E50-R81 IonicContact OE2-NH1 3.52Å; E50-R81 PolarHBondContact OE2-NH1 3.43Å; E50-R81 IonicContact OE2-NH2 3.37Å; E50-R81 PolarHBondContact OE2-NH2 3.33Å; K53-R81 VanDerWaalsContact CE-NH1 3.31Å; P76-R81 HydrophobicContact CG-CG 4.35Å; P76-R81 VanDerWaalsContact CG-NE 3.31Å; R81-W104 PolarHBondContact N-O 3.24Å; R81-W104 WeakPolarHBondContact O-CA 3.39Å; R81-W104 WeakPolarHBondContact O-CB 3.31Å; R81-W104 PolarHBondContact O-N 3.42Å
82Y90.9Very high85.4Confident0 Ų041 Ų410%021%0.205CC..EExtended strand (participates in β ladder)trans-100.6154.9162.1-50.5-70000109.1L37 F38 I47 F101 I102 F103 Y117 S120 K121 I124L37-Y82 CarbonylContact C-O 3.5Å; L37-Y82 WeakPolarHBondContact CA-O 3.46Å; F38-Y82 PolarHBondContact N-O 3.47Å; F38-Y82 PolarHBondContact O-N 2.84Å; I47-Y82 HydrophobicContact CD1-CE2 3.92Å; I47-Y82 HydrophobicContact CG1-CE2 4.34Å; I47-Y82 HydrophobicContact CG2-CD2 4.31Å; Y82-F101 HydrophobicContact CD1-CE1 4.16Å; Y82-F101 HydrophobicContact CD1-CE2 4.1Å; Y82-F101 AromaticContact CD1-CZ 3.36Å; Y82-F101 HydrophobicContact CD1-CZ 3.36Å; Y82-F101 AromaticContact CE1-CZ 3.99Å; Y82-F101 HydrophobicContact CE1-CZ 3.99Å; Y82-F101 HydrophobicContact CG-CE2 4.14Å; Y82-F101 AromaticContact CG-CZ 3.85Å; Y82-F101 HydrophobicContact CG-CZ 3.85Å; Y82-I102 CarbonylContact C-O 3.5Å; Y82-I102 WeakPolarHBondContact CA-O 3.37Å; Y82-F103 HydrophobicContact CD1-CB 4.31Å; Y82-F103 AromaticContact CD1-CD2 3.49Å; Y82-F103 HydrophobicContact CD1-CD2 3.49Å; Y82-F103 VanDerWaalsContact CD1-CD2 3.49Å; Y82-F103 HydrophobicContact CD1-CE2 4.17Å; Y82-F103 HydrophobicContact CD1-CG 4.15Å; Y82-F103 AromaticContact CE1-CD2 3.42Å; Y82-F103 HydrophobicContact CE1-CD2 3.42Å; Y82-F103 VanDerWaalsContact CE1-CD2 3.42Å; Y82-F103 AromaticContact CE1-CE2 3.72Å; Y82-F103 HydrophobicContact CE1-CE2 3.72Å; Y82-F103 HydrophobicContact CE1-CG 4.08Å; Y82-Y117 HydrophobicContact CD1-CD1 4.4Å; Y82-Y117 AromaticContact CD2-CD1 3.85Å; Y82-Y117 HydrophobicContact CD2-CD1 3.85Å; Y82-Y117 AromaticContact CD2-CE1 3.85Å; Y82-Y117 HydrophobicContact CD2-CE1 3.85Å; Y82-Y117 AromaticContact CE1-CD1 3.97Å; Y82-Y117 HydrophobicContact CE1-CD1 3.97Å; Y82-Y117 AromaticContact CE2-CD1 3.35Å; Y82-Y117 HydrophobicContact CE2-CD1 3.35Å; Y82-Y117 AromaticContact CE2-CE1 3.71Å; Y82-Y117 HydrophobicContact CE2-CE1 3.71Å; Y82-Y117 HydrophobicContact CE2-CG 4.45Å; Y82-Y117 HydrophobicContact CG-CD1 4.36Å; Y82-Y117 AromaticContact CZ-CD1 3.45Å; Y82-Y117 VanDerWaalsContact CZ-CD1 3.45Å; Y82-Y117 VanDerWaalsContact OH-C 3.25Å; Y82-Y117 WeakPolarHBondContact OH-CA 3.32Å; Y82-Y117 PolarHBondContact OH-O 3.39Å; Y82-S120 WeakPolarHBondContact OH-CB 3.42Å; Y82-K121 HydrophobicContact CE1-CB 4.39Å; Y82-K121 PolarHBondContact OH-N 3.4Å; Y82-K121 VanDerWaalsContact OH-N 3.13Å; Y82-I124 HydrophobicContact CD2-CD1 4.15Å; Y82-I124 HydrophobicContact CG-CD1 4.41Å
83A90.7Very high85.3Confident0 Ų048.5 Ų48.50%024%0.238CC..EExtended strand (participates in β ladder)trans-142.1154.1168.400000110.3V36 L37 F71 I102V36-A83 CarbonylContact O-C 3.55Å; V36-A83 WeakPolarHBondContact O-CA 3.38Å; V36-A83 WeakPolarHBondContact O-CB 2.88Å; L37-A83 HydrophobicContact CG-CB 4.26Å; F71-A83 HydrophobicContact CE2-CB 3.43Å; F71-A83 VanDerWaalsContact CE2-CB 3.43Å; F71-A83 HydrophobicContact CZ-CB 3.44Å; F71-A83 VanDerWaalsContact CZ-CB 3.44Å; A83-I102 HydrophobicContact CB-CB 4.23Å; A83-I102 PolarHBondContact N-O 2.66Å; A83-I102 PolarHBondContact O-N 2.97Å
84L90.3Very high85.4Confident0 Ų043 Ų430%022%0.223CC..EExtended strand (participates in β ladder)trans-110.8132162.3-77168.2000108F15 M18 A35 V36 F38 F101 F128 I131F15-L84 HydrophobicContact CB-CD1 3.97Å; F15-L84 HydrophobicContact CD2-CD1 3.53Å; F15-L84 HydrophobicContact CD2-CD2 4.27Å; F15-L84 HydrophobicContact CG-CD1 4.2Å; M18-L84 HydrophobicContact CE-CB 4.24Å; M18-L84 HydrophobicContact SD-CB 4.15Å; A35-L84 CarbonylContact C-O 3.55Å; A35-L84 VanDerWaalsContact CA-O 3.27Å; A35-L84 WeakPolarHBondContact CA-O 3.49Å; V36-L84 HydrophobicContact CG1-CB 3.83Å; V36-L84 PolarHBondContact N-O 3.13Å; V36-L84 PolarHBondContact O-N 2.68Å; F38-L84 HydrophobicContact CE2-CB 3.98Å; F38-L84 HydrophobicContact CE2-CD1 3.68Å; F38-L84 HydrophobicContact CE2-CG 3.68Å; F38-L84 HydrophobicContact CZ-CB 4.49Å; F38-L84 HydrophobicContact CZ-CD1 3.75Å; F38-L84 HydrophobicContact CZ-CG 4.25Å; L84-F101 HydrophobicContact CD2-CB 4.16Å; L84-F101 HydrophobicContact CD2-CD2 4.01Å; L84-F101 HydrophobicContact CG-CD2 4.47Å; L84-F128 HydrophobicContact CD1-CD2 4.28Å; L84-F128 HydrophobicContact CD1-CE1 4.24Å; L84-F128 HydrophobicContact CD1-CE2 3.56Å; L84-F128 HydrophobicContact CD1-CZ 3.53Å; L84-F128 HydrophobicContact CD2-CD2 4.15Å; L84-F128 HydrophobicContact CD2-CE2 3.96Å; L84-F128 HydrophobicContact CG-CD2 4.48Å; L84-F128 HydrophobicContact CG-CE2 3.8Å; L84-F128 HydrophobicContact CG-CZ 4.24Å; L84-I131 HydrophobicContact CD2-CD1 3.39Å
85Y88.9Confident85.5Confident0 Ų047.3 Ų47.30%024%0.24CC..EExtended strand (participates in β ladder)trans-125.2117.8177.9-163.7-105.9000108.7K34 A35 Y68 F71 A87 V100 I102 L149 E162K34-Y85 HydrophobicContact CG-CE2 4.48Å; A35-Y85 HydrophobicContact CB-CD2 3.57Å; A35-Y85 HydrophobicContact CB-CE2 3.87Å; Y68-Y85 HydrophobicContact CD2-CE1 4.35Å; Y68-Y85 PolarHBondContact N-OH 3.14Å; F71-Y85 HydrophobicContact CB-CE2 4.45Å; F71-Y85 HydrophobicContact CG-CD2 4.46Å; F71-Y85 HydrophobicContact CG-CE2 4.49Å; Y85-A87 HydrophobicContact CD1-CB 3.83Å; Y85-A87 HydrophobicContact CE1-CB 4.12Å; Y85-A87 PolarHBondContact O-N 3.39Å; Y85-V100 PolarHBondContact N-O 2.84Å; Y85-V100 PolarHBondContact O-N 3.21Å; Y85-I102 HydrophobicContact CG-CD1 4.26Å; Y85-L149 HydrophobicContact CD1-CD2 4.15Å; Y85-L149 HydrophobicContact CE1-CD2 4.04Å; Y85-E162 PolarHBondContact OH-OE1 3.09Å; Y85-E162 PolarHBondContact OH-OE2 3.12Å
86D88.7Confident85.7Confident10 Ų1051.8 Ų51.85%0.05326%0.259CS..EExtended strand (participates in β ladder)trans-7997.4167.4-179-86.5000107.2M18 R21 K34 L99M18-D86 HydrophobicContact CE-CB 4.3Å; R21-D86 IonicContact CZ-OD2 2.89Å; R21-D86 IonicContact NE-OD2 2.59Å; R21-D86 PolarHBondContact NE-OD2 2.87Å; R21-D86 IonicContact NH2-OD2 3.4Å; R21-D86 PolarHBondContact NH2-OD2 3.3Å; K34-D86 HydrophobicContact CD-CB 4.45Å; K34-D86 WeakPolarHBondContact CD-O 3.5Å; K34-D86 WeakPolarHBondContact CE-O 3.28Å; K34-D86 PolarHBondContact NZ-O 3.43Å; K34-D86 IonicContact NZ-OD1 3.12Å; K34-D86 PolarHBondContact NZ-OD1 2.83Å; K34-D86 PolarHBondContact O-N 3.04Å; D86-L99 HydrophobicContact CB-CD2 4.08Å
87A86.3Confident85.9Confident0 Ų053.9 Ų53.90%027%0.266CS..EExtended strand (participates in β ladder)trans-85.2120.818000000109.4Y85 E97 D98 V100 L149 L153Y85-A87 HydrophobicContact CD1-CB 3.83Å; Y85-A87 HydrophobicContact CE1-CB 4.12Å; Y85-A87 PolarHBondContact O-N 3.39Å; A87-E97 VanDerWaalsContact O-CA 3.29Å; A87-E97 WeakPolarHBondContact O-CA 3.45Å; A87-D98 PolarHBondContact N-O 3.42Å; A87-D98 PolarHBondContact O-N 3.07Å; A87-V100 HydrophobicContact CB-CG2 3.99Å; A87-L149 HydrophobicContact CB-CD2 4.35Å; A87-L153 HydrophobicContact CB-CD1 3.42Å; A87-L153 VanDerWaalsContact CB-CD1 3.42Å; A87-L153 HydrophobicContact CB-CD2 3.92Å; A87-L153 HydrophobicContact CB-CG 4.25Å
88T86.1Confident86.3Confident13 Ų1352.1 Ų52.18%0.0825%0.251CS..EExtended strand (participates in β ladder)trans-93.1123.1170.5-59.20000108.4K34 K95 E97 E162K34-T88 PolarHBondContact NZ-OG1 2.74Å; T88-K95 HydrophobicContact CG2-CD 4.25Å; T88-K95 HydrophobicContact CG2-CG 4.16Å; T88-E97 HydrophobicContact CG2-CG 3.87Å; T88-E97 PolarHBondContact OG1-OE1 3.41Å; T88-E162 PolarHBondContact O-N 3.44Å
89Y85.9Confident86.6Confident13 Ų1348.3 Ų48.35%0.05123%0.231CC..EExtended strand (participates in β ladder)trans-136.4144.9-178.666.8-85.5000110.6T91 K96 D98 L153 V158 S160Y89-T91 HydrophobicContact CD2-CG2 3.93Å; Y89-T91 HydrophobicContact CE2-CG2 3.77Å; Y89-K96 HydrophobicContact CD1-CB 4.41Å; Y89-K96 HydrophobicContact CD2-CB 4.26Å; Y89-K96 HydrophobicContact CE1-CB 3.83Å; Y89-K96 HydrophobicContact CE2-CB 3.68Å; Y89-K96 HydrophobicContact CE2-CD 4.1Å; Y89-K96 HydrophobicContact CE2-CG 4.43Å; Y89-K96 VanDerWaalsContact CZ-CB 3.43Å; Y89-K96 PolarHBondContact N-O 3.37Å; Y89-K96 CarbonylContact O-C 3.49Å; Y89-K96 PolarHBondContact O-N 2.79Å; Y89-D98 HydrophobicContact CE1-CB 4.02Å; Y89-D98 WeakPolarHBondContact CE1-OD2 3.49Å; Y89-D98 PolarHBondContact OH-OD2 2.77Å; Y89-L153 HydrophobicContact CD1-CB 4.14Å; Y89-L153 HydrophobicContact CD1-CD1 3.92Å; Y89-L153 HydrophobicContact CD1-CD2 4Å; Y89-L153 HydrophobicContact CD1-CG 4.25Å; Y89-L153 HydrophobicContact CE1-CB 4.21Å; Y89-L153 HydrophobicContact CE1-CD2 3.9Å; Y89-L153 HydrophobicContact CE1-CG 4.47Å; Y89-L153 HydrophobicContact CG-CB 4.4Å; Y89-L153 HydrophobicContact CG-CD1 4.3Å; Y89-V158 HydrophobicContact CD2-CB 4.47Å; Y89-V158 HydrophobicContact CD2-CG1 4.06Å; Y89-V158 HydrophobicContact CD2-CG2 3.76Å; Y89-V158 HydrophobicContact CE2-CG2 4.26Å; Y89-V158 HydrophobicContact CG-CG1 4.27Å; Y89-V158 HydrophobicContact CG-CG2 4.43Å; Y89-S160 CarbonylContact C-O 3.56Å; Y89-S160 WeakPolarHBondContact CA-O 3.42Å
90E86.8Confident86.8Confident74 Ų7445 Ų4535%0.34621%0.214SC..EExtended strand (participates in β ladder)trans-105.1127.2176.4-85.4169.876.700109.2K95 V159 S160E90-K95 HydrophobicContact CG-CB 3.69Å; E90-K95 HydrophobicContact CG-CD 4.15Å; E90-K95 HydrophobicContact CG-CG 3.76Å; E90-V159 PolarHBondContact O-N 3.4Å; E90-S160 WeakPolarHBondContact CB-OG 3.24Å; E90-S160 PolarHBondContact N-O 3.4Å; E90-S160 PolarHBondContact O-N 3.27Å
91T85.6Confident87.1Confident18 Ų1845.3 Ų45.311%0.1122%0.215CC..EExtended strand (participates in β ladder)trans-96.5168.4166.872.60000109.3Y89 E93 S94 V157Y89-T91 HydrophobicContact CD2-CG2 3.93Å; Y89-T91 HydrophobicContact CE2-CG2 3.77Å; T91-E93 PolarHBondContact O-N 2.68Å; T91-S94 PolarHBondContact N-O 2.59Å; T91-S94 PolarHBondContact O-N 3.37Å; T91-S94 PolarHBondContact OG1-N 3.4Å; T91-S94 PolarHBondContact OG1-O 3.41Å; T91-S94 VanDerWaalsContact OG1-O 3.1Å; T91-V157 VanDerWaalsContact CA-O 3.25Å; T91-V157 WeakPolarHBondContact CA-O 3.39Å; T91-V157 VanDerWaalsContact CB-O 3.25Å; T91-V157 WeakPolarHBondContact CB-O 3.49Å; T91-V157 HydrophobicContact CG2-CB 4.45Å; T91-V157 HydrophobicContact CG2-CG2 4.05Å
92K80.8Confident87Confident185 Ų18544 Ų4480%0.80421%0.21SC*.SBendtrans-53.4-23.2176.9-67.8-177.7178.6176.50114.1V159K92-V159 HydrophobicContact CB-CG2 4.41Å; K92-V159 HydrophobicContact CG-CG2 3.51Å
93E80.7Confident87Confident178 Ų17844.1 Ų44.183%0.83221%0.211SC*.SBendtrans-105.5-31.9-175.1-70.1173.490.300113.1T91T91-E93 PolarHBondContact O-N 2.68Å
94S84.4Confident87Confident68 Ų6844.2 Ų44.248%0.47621%0.211SC..  trans-165.1156.5-174.5-70.70000113.1T91T91-S94 PolarHBondContact N-O 2.59Å; T91-S94 PolarHBondContact O-N 3.37Å; T91-S94 PolarHBondContact OG1-N 3.4Å; T91-S94 PolarHBondContact OG1-O 3.41Å; T91-S94 VanDerWaalsContact OG1-O 3.1Å
95K82.8Confident87Confident133 Ų13344.4 Ų44.458%0.57821%0.212SC*.EExtended strand (participates in β ladder)trans-75.7129.1165.5-173.3166.6-177.3172.40110.6T88 E90T88-K95 HydrophobicContact CG2-CD 4.25Å; T88-K95 HydrophobicContact CG2-CG 4.16Å; E90-K95 HydrophobicContact CG-CB 3.69Å; E90-K95 HydrophobicContact CG-CD 4.15Å; E90-K95 HydrophobicContact CG-CG 3.76Å
96K85.7Confident86.9Confident105 Ų10544.7 Ų44.746%0.45721%0.214SC..EExtended strand (participates in β ladder)trans-127.2160.5177.5-69.3-175.8179.6-178.90110.1Y89Y89-K96 HydrophobicContact CD1-CB 4.41Å; Y89-K96 HydrophobicContact CD2-CB 4.26Å; Y89-K96 HydrophobicContact CE1-CB 3.83Å; Y89-K96 HydrophobicContact CE2-CB 3.68Å; Y89-K96 HydrophobicContact CE2-CD 4.1Å; Y89-K96 HydrophobicContact CE2-CG 4.43Å; Y89-K96 VanDerWaalsContact CZ-CB 3.43Å; Y89-K96 PolarHBondContact N-O 3.37Å; Y89-K96 CarbonylContact O-C 3.49Å; Y89-K96 PolarHBondContact O-N 2.79Å
97E86.2Confident86.6Confident72 Ų7252 Ų5234%0.33625%0.248SC..EExtended strand (participates in β ladder)trans-145120.1-179.5-59.6174.511600107.1R21 A87 T88R21-E97 VanDerWaalsContact CZ-CB 3.49Å; R21-E97 IonicContact CZ-OE2 3.88Å; R21-E97 VanDerWaalsContact NH1-CB 3.32Å; R21-E97 IonicContact NH1-OE2 3.93Å; R21-E97 PolarHBondContact NH1-OE2 2.9Å; R21-E97 VanDerWaalsContact NH2-C 3.26Å; R21-E97 PolarHBondContact NH2-O 2.88Å; A87-E97 VanDerWaalsContact O-CA 3.29Å; A87-E97 WeakPolarHBondContact O-CA 3.45Å; T88-E97 HydrophobicContact CG2-CG 3.87Å; T88-E97 PolarHBondContact OG1-OE1 3.41Å
98D87.5Confident86.5Confident30 Ų3056.3 Ų56.316%0.1628%0.278CS..EExtended strand (participates in β ladder)trans-128.1143.6179.7-81.7-80.8000110.7A87 Y89 V100 H133 L153A87-D98 PolarHBondContact N-O 3.42Å; A87-D98 PolarHBondContact O-N 3.07Å; Y89-D98 HydrophobicContact CE1-CB 4.02Å; Y89-D98 WeakPolarHBondContact CE1-OD2 3.49Å; Y89-D98 PolarHBondContact OH-OD2 2.77Å; D98-V100 PolarHBondContact O-N 3.18Å; D98-H133 IonicContact OD1-CD2 3.45Å; D98-H133 IonicContact OD1-NE2 3.89Å; D98-L153 HydrophobicContact CB-CD2 3.99Å
99L88.4Confident86.4Confident18 Ų1855.9 Ų55.99%0.09428%0.276CS..EExtended strand (participates in β ladder)trans-78.9119.7173-83157.2000109.7M18 K19 D86M18-L99 HydrophobicContact CB-CD1 4.39Å; M18-L99 HydrophobicContact CB-CD2 4.02Å; M18-L99 HydrophobicContact CE-CD2 3.83Å; M18-L99 HydrophobicContact SD-CD2 4.47Å; K19-L99 HydrophobicContact CB-CD1 3.85Å; K19-L99 HydrophobicContact CG-CD1 4.37Å; D86-L99 HydrophobicContact CB-CD2 4.08Å
100V89.4Confident86.4Confident0 Ų058.1 Ų58.10%029%0.292CS..EExtended strand (participates in β ladder)trans-105.5123.4176.9-1710000108.9Y85 A87 D98 I102 H133 W135 L149 L153Y85-V100 PolarHBondContact N-O 2.84Å; Y85-V100 PolarHBondContact O-N 3.21Å; A87-V100 HydrophobicContact CB-CG2 3.99Å; D98-V100 PolarHBondContact O-N 3.18Å; V100-I102 HydrophobicContact CG1-CG1 4.06Å; V100-H133 WeakPolarHBondContact CA-O 3.29Å; V100-H133 HydrophobicContact CB-CB 4.39Å; V100-H133 HydrophobicContact CG1-CB 4.23Å; V100-H133 HydrophobicContact CG2-CB 4.01Å; V100-W135 HydrophobicContact CG1-CB 3.92Å; V100-L149 HydrophobicContact CB-CD1 4.47Å; V100-L149 HydrophobicContact CG1-CD1 4.14Å; V100-L149 HydrophobicContact CG2-CD1 4.17Å; V100-L153 HydrophobicContact CG2-CD2 3.4Å; V100-L153 HydrophobicContact CG2-CG 4.14Å
101F91.6Very high86.3Confident6 Ų660.5 Ų60.53%0.02631%0.307CS..EExtended strand (participates in β ladder)trans-84.9113.2168.8179-109.2000109.9Y82 L84 F103 K121 I124 F128 I131 H133 E134 W135Y82-F101 HydrophobicContact CD1-CE1 4.16Å; Y82-F101 HydrophobicContact CD1-CE2 4.1Å; Y82-F101 AromaticContact CD1-CZ 3.36Å; Y82-F101 HydrophobicContact CD1-CZ 3.36Å; Y82-F101 AromaticContact CE1-CZ 3.99Å; Y82-F101 HydrophobicContact CE1-CZ 3.99Å; Y82-F101 HydrophobicContact CG-CE2 4.14Å; Y82-F101 AromaticContact CG-CZ 3.85Å; Y82-F101 HydrophobicContact CG-CZ 3.85Å; L84-F101 HydrophobicContact CD2-CB 4.16Å; L84-F101 HydrophobicContact CD2-CD2 4.01Å; L84-F101 HydrophobicContact CG-CD2 4.47Å; F101-F103 HydrophobicContact CE1-CB 4.3Å; F101-K121 HydrophobicContact CE1-CG 4.34Å; F101-I124 HydrophobicContact CE2-CD1 4.07Å; F101-I124 HydrophobicContact CE2-CG2 4.13Å; F101-I124 HydrophobicContact CZ-CG2 3.67Å; F101-F128 AromaticContact CD2-CD2 3.84Å; F101-F128 HydrophobicContact CD2-CD2 3.84Å; F101-F128 AromaticContact CD2-CE2 3.78Å; F101-F128 HydrophobicContact CD2-CE2 3.78Å; F101-F128 HydrophobicContact CE2-CD2 4.07Å; F101-F128 AromaticContact CE2-CE2 3.8Å; F101-F128 HydrophobicContact CE2-CE2 3.8Å; F101-I131 HydrophobicContact CB-CD1 3.82Å; F101-I131 HydrophobicContact CB-CG2 3.91Å; F101-I131 HydrophobicContact CG-CD1 4.49Å; F101-H133 PolarHBondContact N-O 2.91Å; F101-E134 CarbonylContact O-C 3.58Å; F101-E134 WeakPolarHBondContact O-CA 3.26Å; F101-W135 PolarHBondContact O-N 3.41Å
102I89.9Confident86.2Confident0 Ų067.4 Ų67.40%034%0.335CS..EExtended strand (participates in β ladder)trans-100.2123.9-179.9-54.1178.7000108.7F71 Y82 A83 Y85 V100 W135 V137 I143F71-I102 HydrophobicContact CE1-CD1 3.63Å; F71-I102 HydrophobicContact CZ-CD1 3.85Å; F71-I102 HydrophobicContact CZ-CG2 4.5Å; Y82-I102 CarbonylContact C-O 3.5Å; Y82-I102 WeakPolarHBondContact CA-O 3.37Å; A83-I102 HydrophobicContact CB-CB 4.23Å; A83-I102 PolarHBondContact N-O 2.66Å; A83-I102 PolarHBondContact O-N 2.97Å; Y85-I102 HydrophobicContact CG-CD1 4.26Å; V100-I102 HydrophobicContact CG1-CG1 4.06Å; I102-W135 CarbonylContact C-O 3.57Å; I102-W135 VanDerWaalsContact CA-O 3.25Å; I102-W135 WeakPolarHBondContact CA-O 3.04Å; I102-W135 HydrophobicContact CD1-CE3 3.94Å; I102-W135 HydrophobicContact CD1-CZ3 4.25Å; I102-W135 HydrophobicContact CG1-CE3 4.02Å; I102-W135 HydrophobicContact CG2-CE3 4.38Å; I102-V137 HydrophobicContact CG2-CG2 4.27Å; I102-I143 HydrophobicContact CG2-CD1 3.8Å
103F91.2Very high86.4Confident4 Ų459.3 Ų59.32%0.01830%0.302CS..EExtended strand (participates in β ladder)trans-106103.7171.4177.1-145.3000109.5Y82 F101 A105 Y117 K121 W135 Q136 V137Y82-F103 HydrophobicContact CD1-CB 4.31Å; Y82-F103 AromaticContact CD1-CD2 3.49Å; Y82-F103 HydrophobicContact CD1-CD2 3.49Å; Y82-F103 VanDerWaalsContact CD1-CD2 3.49Å; Y82-F103 HydrophobicContact CD1-CE2 4.17Å; Y82-F103 HydrophobicContact CD1-CG 4.15Å; Y82-F103 AromaticContact CE1-CD2 3.42Å; Y82-F103 HydrophobicContact CE1-CD2 3.42Å; Y82-F103 VanDerWaalsContact CE1-CD2 3.42Å; Y82-F103 AromaticContact CE1-CE2 3.72Å; Y82-F103 HydrophobicContact CE1-CE2 3.72Å; Y82-F103 HydrophobicContact CE1-CG 4.08Å; F101-F103 HydrophobicContact CE1-CB 4.3Å; F103-A105 HydrophobicContact CE1-CB 4.15Å; F103-A105 HydrophobicContact CE2-CB 4.03Å; F103-A105 HydrophobicContact CZ-CB 3.8Å; F103-Y117 HydrophobicContact CE2-CD1 4.28Å; F103-Y117 HydrophobicContact CE2-CG 4.32Å; F103-K121 HydrophobicContact CD1-CD 4.31Å; F103-W135 PolarHBondContact N-O 3.01Å; F103-Q136 HydrophobicContact CD1-CG 3.93Å; F103-Q136 VanDerWaalsContact CD1-NE2 3.32Å; F103-Q136 VanDerWaalsContact CE1-NE2 3.34Å; F103-V137 PolarHBondContact O-N 2.74Å
104W90.3Very high86.6Confident1 Ų153.1 Ų53.10%0.00427%0.272CS..EExtended strand (participates in β ladder)trans-88.3115.8178.2177.5-109.7000110.6L75 P76 D79 C80 R81 P106 V137 G139 L140 I143L75-W104 HydrophobicContact CB-CD2 4.32Å; L75-W104 HydrophobicContact CB-CG 4.48Å; L75-W104 HydrophobicContact CB-CZ2 4.47Å; L75-W104 HydrophobicContact CD1-CD2 4.06Å; L75-W104 HydrophobicContact CD1-CE3 4.07Å; L75-W104 HydrophobicContact CD1-CG 4.36Å; L75-W104 HydrophobicContact CD2-CB 3.98Å; L75-W104 HydrophobicContact CD2-CD2 4.33Å; L75-W104 HydrophobicContact CD2-CG 3.82Å; L75-W104 HydrophobicContact CG-CD2 4.49Å; L75-W104 HydrophobicContact CG-CG 4.47Å; P76-W104 PolarHBondContact O-NE1 3.42Å; D79-W104 VanDerWaalsContact O-CD1 3.28Å; D79-W104 PolarHBondContact O-NE1 2.99Å; C80-W104 CarbonylContact C-O 3.48Å; C80-W104 WeakPolarHBondContact CA-O 3.46Å; C80-W104 WeakPolarHBondContact CB-O 3.13Å; R81-W104 PolarHBondContact N-O 3.24Å; R81-W104 WeakPolarHBondContact O-CA 3.39Å; R81-W104 WeakPolarHBondContact O-CB 3.31Å; R81-W104 PolarHBondContact O-N 3.42Å; W104-P106 HydrophobicContact CH2-CB 4.4Å; W104-P106 HydrophobicContact CZ2-CB 3.7Å; W104-P106 HydrophobicContact CZ2-CG 4.06Å; W104-V137 HydrophobicContact CE3-CB 4.02Å; W104-V137 HydrophobicContact CE3-CG1 4.11Å; W104-V137 HydrophobicContact CZ3-CB 4.26Å; W104-V137 HydrophobicContact CZ3-CG1 3.83Å; W104-G139 WeakPolarHBondContact CZ3-O 3.33Å; W104-L140 HydrophobicContact CH2-CB 4.22Å; W104-L140 HydrophobicContact CH2-CD2 3.43Å; W104-L140 VanDerWaalsContact CH2-CD2 3.43Å; W104-L140 HydrophobicContact CH2-CG 3.61Å; W104-L140 HydrophobicContact CZ2-CD2 3.62Å; W104-L140 HydrophobicContact CZ2-CG 3.93Å; W104-L140 HydrophobicContact CZ3-CD2 4.43Å; W104-I143 HydrophobicContact CE3-CB 4.34Å; W104-I143 HydrophobicContact CE3-CD1 3.72Å; W104-I143 HydrophobicContact CE3-CG2 4.18Å; W104-I143 HydrophobicContact CH2-CG2 3.97Å; W104-I143 HydrophobicContact CZ3-CB 3.86Å; W104-I143 HydrophobicContact CZ3-CD1 4.11Å; W104-I143 HydrophobicContact CZ3-CG2 3.42Å; W104-I143 VanDerWaalsContact CZ3-CG2 3.42Å
105A89Confident86.7Confident4 Ų455.7 Ų55.73%0.03328%0.278CS..  trans-13973.2-177.900000111.2F103 V137 N138F103-A105 HydrophobicContact CE1-CB 4.15Å; F103-A105 HydrophobicContact CE2-CB 4.03Å; F103-A105 HydrophobicContact CZ-CB 3.8Å; A105-V137 PolarHBondContact N-O 3.42Å; A105-N138 WeakPolarHBondContact O-CA 3.41Å
106P87Confident86.9Confident6 Ų651.1 Ų51.14%0.03926%0.259CS..  trans-66.1146.6-170.626.7-32.5000111.5S77 D79 W104 S108 A109 K114 N138S77-P106 VanDerWaalsContact O-CB 3.3Å; S77-P106 WeakPolarHBondContact O-CB 3.45Å; S77-P106 WeakPolarHBondContact O-CG 3.27Å; D79-P106 VanDerWaalsContact O-CD 3.3Å; D79-P106 WeakPolarHBondContact O-CD 3.41Å; D79-P106 WeakPolarHBondContact O-CG 3.41Å; W104-P106 HydrophobicContact CH2-CB 4.4Å; W104-P106 HydrophobicContact CZ2-CB 3.7Å; W104-P106 HydrophobicContact CZ2-CG 4.06Å; P106-S108 PolarHBondContact O-N 3.14Å; P106-S108 VanDerWaalsContact O-N 3.16Å; P106-A109 HydrophobicContact CG-CB 3.8Å; P106-A109 WeakPolarHBondContact O-CB 3.37Å; P106-A109 PolarHBondContact O-N 3.06Å; P106-K114 WeakPolarHBondContact O-CE 3.38Å; P106-K114 PolarHBondContact O-NZ 2.89Å; P106-N138 CarbonylContact C-O 3.59Å; P106-N138 VanDerWaalsContact CA-O 3.24Å; P106-N138 WeakPolarHBondContact CA-O 3.3Å
107E83.7Confident87Confident164 Ų16446.7 Ų46.777%0.76624%0.24SC*.THydrogen-bonded Turntrans-57.9-32.8-179-68.7-16095.300113.7A109 K114 N138E107-A109 VanDerWaalsContact C-N 3.28Å; E107-A109 PolarHBondContact O-N 3.41Å; E107-K114 VanDerWaalsContact C-NZ 3.27Å; E107-K114 VanDerWaalsContact CA-NZ 3.28Å; E107-K114 PolarHBondContact O-NZ 2.79Å; E107-N138 PolarHBondContact N-O 2.81Å; E107-N138 VanDerWaalsContact N-O 3.12Å
108S84Confident87.1Confident90 Ų9045.6 Ų45.663%0.62924%0.243SC*.THydrogen-bonded Turntrans-71.6-16.1176.1-65.90000114.3P106P106-S108 PolarHBondContact O-N 3.14Å; P106-S108 VanDerWaalsContact O-N 3.16Å
109A84.6Confident87Confident4 Ų446.3 Ų46.33%0.03325%0.251CS..SBendtrans-68.2145.217900000112.5N78 C80 P106 E107 L111 K114N78-A109 WeakPolarHBondContact O-CA 3.04Å; C80-A109 VanDerWaalsContact SG-CB 3.52Å; P106-A109 HydrophobicContact CG-CB 3.8Å; P106-A109 WeakPolarHBondContact O-CB 3.37Å; P106-A109 PolarHBondContact O-N 3.06Å; E107-A109 VanDerWaalsContact C-N 3.28Å; E107-A109 PolarHBondContact O-N 3.41Å; A109-L111 PolarHBondContact O-N 2.94Å; A109-K114 HydrophobicContact CB-CG 4.46Å; A109-K114 VanDerWaalsContact O-CE 3.24Å; A109-K114 WeakPolarHBondContact O-CE 3.46Å; A109-K114 PolarHBondContact O-NZ 3.22Å
110P84.9Confident86.9Confident60 Ų6045.5 Ų45.539%0.3925%0.247SC..  trans-60.6135.5-178.121.1-30.4000111.5N78 K112 S113 K114N78-P110 VanDerWaalsContact O-CD 3.26Å; N78-P110 WeakPolarHBondContact O-CD 3.44Å; P110-K112 PolarHBondContact O-N 3.35Å; P110-K112 VanDerWaalsContact O-N 3.14Å; P110-S113 WeakPolarHBondContact O-CB 3.32Å; P110-S113 PolarHBondContact O-N 3.37Å; P110-K114 PolarHBondContact O-N 3Å; P110-K114 VanDerWaalsContact O-N 3.1Å
111L85.3Confident86.8Confident125 Ų12547.3 Ų47.365%0.65425%0.254SS*.Hα-helixtrans-53.2-39.1-177.7-178.965.2000112.5A109 S113 K114 M115A109-L111 PolarHBondContact O-N 2.94Å; L111-S113 PolarHBondContact O-N 2.89Å; L111-K114 PolarHBondContact O-N 3.15Å; L111-M115 HydrophobicContact CD1-CG 4.37Å; L111-M115 HydrophobicContact CG-CG 4.41Å; L111-M115 HydrophobicContact CG-SD 4.37Å; L111-M115 WeakPolarHBondContact O-CG 3.27Å; L111-M115 PolarHBondContact O-N 3.22Å
112K83.1Confident86.4Confident162 Ų16252 Ų5270%0.70428%0.28SS*.Hα-helixtrans-58-45.2175.5-77-175179.9-179.90112P110 M115 I116P110-K112 PolarHBondContact O-N 3.35Å; P110-K112 VanDerWaalsContact O-N 3.14Å; K112-M115 PolarHBondContact O-N 3.25Å; K112-I116 WeakPolarHBondContact O-CD1 3.33Å; K112-I116 WeakPolarHBondContact O-CG1 2.91Å; K112-I116 PolarHBondContact O-N 2.94Å; K112-I116 VanDerWaalsContact O-N 3.09Å
113S85.1Confident86.3Confident15 Ų1553.5 Ų53.511%0.10529%0.292CS..Hα-helixtrans-64.1-48.6176.9-65.60000110.2P110 L111 M115 I116 Y117P110-S113 WeakPolarHBondContact O-CB 3.32Å; P110-S113 PolarHBondContact O-N 3.37Å; L111-S113 PolarHBondContact O-N 2.89Å; S113-M115 VanDerWaalsContact C-N 3.29Å; S113-M115 PolarHBondContact O-N 2.8Å; S113-I116 PolarHBondContact O-N 3.2Å; S113-I116 VanDerWaalsContact O-N 3.12Å; S113-Y117 VanDerWaalsContact O-CD2 3.29Å; S113-Y117 WeakPolarHBondContact O-CD2 3.48Å; S113-Y117 PolarHBondContact O-N 3.13Å
114K85.2Confident86Confident49 Ų4953.3 Ų53.321%0.21329%0.291CS..Hα-helixtrans-54-44.4176.1-72.3177.9-174.1162.80112.7C80 P106 E107 A109 P110 L111 A118C80-K114 WeakPolarHBondContact SG-CG 3.02Å; P106-K114 WeakPolarHBondContact O-CE 3.38Å; P106-K114 PolarHBondContact O-NZ 2.89Å; E107-K114 VanDerWaalsContact C-NZ 3.27Å; E107-K114 VanDerWaalsContact CA-NZ 3.28Å; E107-K114 PolarHBondContact O-NZ 2.79Å; A109-K114 HydrophobicContact CB-CG 4.46Å; A109-K114 VanDerWaalsContact O-CE 3.24Å; A109-K114 WeakPolarHBondContact O-CE 3.46Å; A109-K114 PolarHBondContact O-NZ 3.22Å; P110-K114 PolarHBondContact O-N 3Å; P110-K114 VanDerWaalsContact O-N 3.1Å; L111-K114 PolarHBondContact O-N 3.15Å; K114-A118 WeakPolarHBondContact O-CB 3.26Å; K114-A118 PolarHBondContact O-N 3.27Å
115M85.9Confident85.8Confident121 Ų12158.2 Ų58.260%0.59631%0.312SS*.Hα-helixtrans-64.8-42.2179.2-75-174.4103.700112.1L111 K112 S113 S119L111-M115 HydrophobicContact CD1-CG 4.37Å; L111-M115 HydrophobicContact CG-CG 4.41Å; L111-M115 HydrophobicContact CG-SD 4.37Å; L111-M115 WeakPolarHBondContact O-CG 3.27Å; L111-M115 PolarHBondContact O-N 3.22Å; K112-M115 PolarHBondContact O-N 3.25Å; S113-M115 VanDerWaalsContact C-N 3.29Å; S113-M115 PolarHBondContact O-N 2.8Å; M115-S119 WeakPolarHBondContact O-CB 3.35Å; M115-S119 PolarHBondContact O-N 3.34Å; M115-S119 PolarHBondContact O-OG 3.06Å
116I87Confident85.6Confident37 Ų3765.7 Ų65.719%0.1934%0.344CS..Hα-helixtrans-68.8-45.1179.3-60.3163.4000110.1V5 L40 R44 K112 S113 S119 S120V5-I116 HydrophobicContact CG2-CG2 4.28Å; L40-I116 HydrophobicContact CD1-CB 4.19Å; L40-I116 HydrophobicContact CD1-CG2 3.56Å; R44-I116 HydrophobicContact CB-CD1 4.29Å; R44-I116 HydrophobicContact CB-CG2 4.32Å; R44-I116 HydrophobicContact CG-CD1 4.38Å; K112-I116 WeakPolarHBondContact O-CD1 3.33Å; K112-I116 WeakPolarHBondContact O-CG1 2.91Å; K112-I116 PolarHBondContact O-N 2.94Å; K112-I116 VanDerWaalsContact O-N 3.09Å; S113-I116 PolarHBondContact O-N 3.2Å; S113-I116 VanDerWaalsContact O-N 3.12Å; I116-S119 PolarHBondContact O-N 2.99Å; I116-S120 VanDerWaalsContact O-CB 3.23Å; I116-S120 WeakPolarHBondContact O-CB 3.47Å; I116-S120 PolarHBondContact O-N 3.16Å; I116-S120 PolarHBondContact O-OG 2.9Å
117Y88.2Confident85.6Confident13 Ų1370.4 Ų70.45%0.05136%0.364CS..Hα-helixtrans-63.1-45.6174.6-85.1-90.9000111.4C39 L40 C80 Y82 F103 S113 S119 S120 K121C39-Y117 WeakPolarHBondContact CA-OH 3.3Å; L40-Y117 HydrophobicContact CB-CE2 4.27Å; L40-Y117 HydrophobicContact CD1-CD1 4.19Å; L40-Y117 HydrophobicContact CD1-CD2 3.4Å; L40-Y117 HydrophobicContact CD1-CE1 4.11Å; L40-Y117 HydrophobicContact CD1-CE2 3.37Å; L40-Y117 HydrophobicContact CD1-CG 3.83Å; L40-Y117 HydrophobicContact CG-CD1 4.32Å; L40-Y117 HydrophobicContact CG-CD2 4.23Å; L40-Y117 HydrophobicContact CG-CE1 3.88Å; L40-Y117 HydrophobicContact CG-CE2 3.85Å; L40-Y117 HydrophobicContact CG-CG 4.46Å; L40-Y117 PolarHBondContact N-OH 3.36Å; C80-Y117 HydrophobicContact CB-CD1 4.24Å; C80-Y117 HydrophobicContact CB-CD2 3.54Å; C80-Y117 HydrophobicContact CB-CE2 3.85Å; C80-Y117 HydrophobicContact CB-CG 3.77Å; C80-Y117 VanDerWaalsContact O-CE2 3.26Å; C80-Y117 WeakPolarHBondContact O-CE2 3.33Å; C80-Y117 PolarHBondContact O-OH 2.95Å; Y82-Y117 HydrophobicContact CD1-CD1 4.4Å; Y82-Y117 AromaticContact CD2-CD1 3.85Å; Y82-Y117 HydrophobicContact CD2-CD1 3.85Å; Y82-Y117 AromaticContact CD2-CE1 3.85Å; Y82-Y117 HydrophobicContact CD2-CE1 3.85Å; Y82-Y117 AromaticContact CE1-CD1 3.97Å; Y82-Y117 HydrophobicContact CE1-CD1 3.97Å; Y82-Y117 AromaticContact CE2-CD1 3.35Å; Y82-Y117 HydrophobicContact CE2-CD1 3.35Å; Y82-Y117 AromaticContact CE2-CE1 3.71Å; Y82-Y117 HydrophobicContact CE2-CE1 3.71Å; Y82-Y117 HydrophobicContact CE2-CG 4.45Å; Y82-Y117 HydrophobicContact CG-CD1 4.36Å; Y82-Y117 AromaticContact CZ-CD1 3.45Å; Y82-Y117 VanDerWaalsContact CZ-CD1 3.45Å; Y82-Y117 VanDerWaalsContact OH-C 3.25Å; Y82-Y117 WeakPolarHBondContact OH-CA 3.32Å; Y82-Y117 PolarHBondContact OH-O 3.39Å; F103-Y117 HydrophobicContact CE2-CD1 4.28Å; F103-Y117 HydrophobicContact CE2-CG 4.32Å; S113-Y117 VanDerWaalsContact O-CD2 3.29Å; S113-Y117 WeakPolarHBondContact O-CD2 3.48Å; S113-Y117 PolarHBondContact O-N 3.13Å; Y117-S119 PolarHBondContact O-N 2.95Å; Y117-S120 PolarHBondContact O-N 3.37Å; Y117-K121 PolarHBondContact O-N 3.44Å
118A86.8Confident85.6Confident48 Ų4862.9 Ų62.940%0.39733%0.329SS..Hα-helixtrans-58.9-40.6176.200000111.4K114 K121K114-A118 WeakPolarHBondContact O-CB 3.26Å; K114-A118 PolarHBondContact O-N 3.27Å; A118-K121 VanDerWaalsContact O-CB 3.3Å; A118-K121 WeakPolarHBondContact O-CB 3.25Å; A118-K121 PolarHBondContact O-N 3.47Å
119S86.4Confident85.4Confident46 Ų4662.8 Ų62.832%0.32233%0.325SS..Hα-helixtrans-76.7-24.3179.9-56.10000113.6S3 M115 I116 Y117S3-S119 WeakPolarHBondContact OG-CB 3.49Å; M115-S119 WeakPolarHBondContact O-CB 3.35Å; M115-S119 PolarHBondContact O-N 3.34Å; M115-S119 PolarHBondContact O-OG 3.06Å; I116-S119 PolarHBondContact O-N 2.99Å; Y117-S119 PolarHBondContact O-N 2.95Å
120S87.2Confident85Confident1 Ų165.3 Ų65.31%0.00735%0.351CS..Hα-helixtrans-88-13.1176.4-52.10000112.7V5 Y82 I116 Y117 D122 A123 I124V5-S120 VanDerWaalsContact CB-OG 3.26Å; V5-S120 WeakPolarHBondContact CB-OG 3.43Å; V5-S120 WeakPolarHBondContact CG2-OG 3.48Å; Y82-S120 WeakPolarHBondContact OH-CB 3.42Å; I116-S120 VanDerWaalsContact O-CB 3.23Å; I116-S120 WeakPolarHBondContact O-CB 3.47Å; I116-S120 PolarHBondContact O-N 3.16Å; I116-S120 PolarHBondContact O-OG 2.9Å; Y117-S120 PolarHBondContact O-N 3.37Å; S120-D122 VanDerWaalsContact C-N 3.27Å; S120-D122 PolarHBondContact O-N 2.77Å; S120-A123 WeakPolarHBondContact O-CB 3.41Å; S120-A123 PolarHBondContact O-N 2.84Å; S120-I124 PolarHBondContact O-N 3.32Å; S120-I124 VanDerWaalsContact O-N 3.17Å
121K86.1Confident84.9Confident38 Ų3864.4 Ų64.417%0.16534%0.342CS..Hα-helixtrans-55.9-42.6177.5-178.5-174.9167.6-178.30111.2Y82 F101 F103 Y117 A118 A123 I124 K125 E134Y82-K121 HydrophobicContact CE1-CB 4.39Å; Y82-K121 PolarHBondContact OH-N 3.4Å; Y82-K121 VanDerWaalsContact OH-N 3.13Å; F101-K121 HydrophobicContact CE1-CG 4.34Å; F103-K121 HydrophobicContact CD1-CD 4.31Å; Y117-K121 PolarHBondContact O-N 3.44Å; A118-K121 VanDerWaalsContact O-CB 3.3Å; A118-K121 WeakPolarHBondContact O-CB 3.25Å; A118-K121 PolarHBondContact O-N 3.47Å; K121-A123 VanDerWaalsContact C-N 3.31Å; K121-A123 PolarHBondContact O-N 2.9Å; K121-I124 VanDerWaalsContact O-CG2 3.27Å; K121-I124 WeakPolarHBondContact O-CG2 3.35Å; K121-I124 PolarHBondContact O-N 3.14Å; K121-K125 WeakPolarHBondContact O-CB 3.49Å; K121-K125 PolarHBondContact O-N 2.92Å; K121-E134 WeakPolarHBondContact CE-OE2 3.2Å; K121-E134 IonicContact NZ-OE2 3.56Å; K121-E134 PolarHBondContact NZ-OE2 3.4Å
122D84.5Confident84.6Confident105 Ų10566.3 Ų66.356%0.56135%0.345SS*.Hα-helixtrans-62.9-37177.4-91.6-88.5000112.8S120 K126S120-D122 VanDerWaalsContact C-N 3.27Å; S120-D122 PolarHBondContact O-N 2.77Å; D122-K126 WeakPolarHBondContact O-CB 3.46Å; D122-K126 VanDerWaalsContact O-CG 3.29Å; D122-K126 WeakPolarHBondContact O-CG 3.16Å; D122-K126 PolarHBondContact O-N 2.85Å
123A86.6Confident84.7Confident31 Ų3160.2 Ų60.226%0.25632%0.319SS..Hα-helixtrans-67.3-45.8179.600000111.6V5 V7 S120 K121 K127V5-A123 WeakPolarHBondContact O-CB 3.27Å; V7-A123 HydrophobicContact CG2-CB 4.41Å; S120-A123 WeakPolarHBondContact O-CB 3.41Å; S120-A123 PolarHBondContact O-N 2.84Å; K121-A123 VanDerWaalsContact C-N 3.31Å; K121-A123 PolarHBondContact O-N 2.9Å; A123-K127 PolarHBondContact O-N 2.93Å
124I86.1Confident84.9Confident0 Ų063.1 Ų63.10%033%0.331CS..Hα-helixtrans-69.3-42.4177.4-159.8177.9000111.9V7 V11 I47 Y82 F101 S120 K121 K126 K127 F128V7-I124 HydrophobicContact CG1-CG1 4.37Å; V7-I124 HydrophobicContact CG2-CB 4.24Å; V7-I124 HydrophobicContact CG2-CG1 4.45Å; V11-I124 HydrophobicContact CG1-CD1 4.14Å; V11-I124 HydrophobicContact CG1-CG1 4.43Å; I47-I124 HydrophobicContact CD1-CB 3.7Å; I47-I124 HydrophobicContact CD1-CD1 4.21Å; I47-I124 HydrophobicContact CD1-CG1 4.25Å; I47-I124 HydrophobicContact CD1-CG2 4.38Å; I47-I124 HydrophobicContact CG2-CD1 4Å; Y82-I124 HydrophobicContact CD2-CD1 4.15Å; Y82-I124 HydrophobicContact CG-CD1 4.41Å; F101-I124 HydrophobicContact CE2-CD1 4.07Å; F101-I124 HydrophobicContact CE2-CG2 4.13Å; F101-I124 HydrophobicContact CZ-CG2 3.67Å; S120-I124 PolarHBondContact O-N 3.32Å; S120-I124 VanDerWaalsContact O-N 3.17Å; K121-I124 VanDerWaalsContact O-CG2 3.27Å; K121-I124 WeakPolarHBondContact O-CG2 3.35Å; K121-I124 PolarHBondContact O-N 3.14Å; I124-K126 VanDerWaalsContact C-N 3.29Å; I124-K126 PolarHBondContact O-N 2.74Å; I124-K127 PolarHBondContact O-N 2.82Å; I124-F128 HydrophobicContact CD1-CD2 4.34Å; I124-F128 HydrophobicContact CD1-CE1 4.47Å; I124-F128 HydrophobicContact CD1-CE2 3.56Å; I124-F128 HydrophobicContact CD1-CZ 3.64Å; I124-F128 HydrophobicContact CG1-CD1 4.41Å; I124-F128 HydrophobicContact CG1-CD2 3.99Å; I124-F128 HydrophobicContact CG1-CE1 4.08Å; I124-F128 HydrophobicContact CG1-CE2 3.64Å; I124-F128 HydrophobicContact CG1-CG 4.38Å; I124-F128 HydrophobicContact CG1-CZ 3.7Å; I124-F128 PolarHBondContact O-N 2.75Å
125K84.4Confident85Confident103 Ų10361 Ų6145%0.44832%0.322SS..Hα-helixtrans-60.3-39.7178-174.8174.5175.4176.30111.8K121 K127 F128 E134K121-K125 WeakPolarHBondContact O-CB 3.49Å; K121-K125 PolarHBondContact O-N 2.92Å; K125-K127 VanDerWaalsContact C-N 3.27Å; K125-K127 PolarHBondContact O-N 2.85Å; K125-F128 CarbonylContact O-C 3.46Å; K125-F128 PolarHBondContact O-N 3.14Å; K125-E134 IonicContact NZ-OE1 2.73Å; K125-E134 PolarHBondContact NZ-OE1 3.17Å
126K85.6Confident85.1Confident161 Ų16159.9 Ų59.970%0.732%0.315SS*.Hα-helixtrans-61.7-32174-82.6179.4177.4-1780113.4D122 I124 T129D122-K126 WeakPolarHBondContact O-CB 3.46Å; D122-K126 VanDerWaalsContact O-CG 3.29Å; D122-K126 WeakPolarHBondContact O-CG 3.16Å; D122-K126 PolarHBondContact O-N 2.85Å; I124-K126 VanDerWaalsContact C-N 3.29Å; I124-K126 PolarHBondContact O-N 2.74Å; K126-T129 WeakPolarHBondContact O-CG2 3.42Å
127K86.3Confident85.1Confident105 Ų10558.1 Ų58.146%0.45731%0.306SS..Hα-helixtrans-81-31.3175.4-66.4-62.2-166.51650112.3V7 I12 A123 I124 K125 T129V7-K127 HydrophobicContact CB-CG 3.91Å; V7-K127 HydrophobicContact CG1-CB 4.45Å; V7-K127 HydrophobicContact CG1-CG 4.29Å; V7-K127 HydrophobicContact CG2-CB 4.36Å; V7-K127 HydrophobicContact CG2-CG 3.7Å; I12-K127 HydrophobicContact CD1-CB 4.33Å; I12-K127 HydrophobicContact CD1-CD 3.75Å; I12-K127 HydrophobicContact CD1-CG 4.05Å; I12-K127 HydrophobicContact CG1-CB 4.14Å; I12-K127 HydrophobicContact CG1-CD 4.49Å; I12-K127 HydrophobicContact CG1-CG 4.34Å; A123-K127 PolarHBondContact O-N 2.93Å; I124-K127 PolarHBondContact O-N 2.82Å; K125-K127 VanDerWaalsContact C-N 3.27Å; K125-K127 PolarHBondContact O-N 2.85Å; K127-T129 PolarHBondContact O-N 2.84Å
128F85.2Confident85Confident6 Ų661.1 Ų61.13%0.02632%0.323CS..SBendtrans-80.659.3177.2-70.9-4.8000112.4V11 F15 F38 L84 F101 I124 K125 G130 I131V11-F128 HydrophobicContact CG1-CE1 3.66Å; V11-F128 HydrophobicContact CG1-CZ 3.54Å; F15-F128 HydrophobicContact CB-CD1 3.68Å; F15-F128 HydrophobicContact CB-CE1 3.38Å; F15-F128 HydrophobicContact CB-CZ 4.09Å; F15-F128 HydrophobicContact CD1-CB 4.39Å; F15-F128 AromaticContact CD1-CD1 3.65Å; F15-F128 HydrophobicContact CD1-CD1 3.65Å; F15-F128 HydrophobicContact CD1-CE1 4.27Å; F15-F128 HydrophobicContact CD1-CG 4.26Å; F15-F128 HydrophobicContact CD2-CB 4.45Å; F15-F128 AromaticContact CD2-CD1 3.9Å; F15-F128 HydrophobicContact CD2-CD1 3.9Å; F15-F128 HydrophobicContact CD2-CD2 4.45Å; F15-F128 HydrophobicContact CD2-CE1 4.19Å; F15-F128 HydrophobicContact CD2-CG 4.03Å; F15-F128 HydrophobicContact CE1-CB 4.14Å; F15-F128 HydrophobicContact CE1-CD1 4.26Å; F15-F128 HydrophobicContact CE1-CG 4.48Å; F15-F128 HydrophobicContact CE2-CB 4.22Å; F15-F128 HydrophobicContact CE2-CD1 4.48Å; F15-F128 HydrophobicContact CE2-CG 4.27Å; F15-F128 AromaticContact CG-CD1 3.42Å; F15-F128 HydrophobicContact CG-CD1 3.42Å; F15-F128 VanDerWaalsContact CG-CD1 3.42Å; F15-F128 AromaticContact CG-CE1 3.68Å; F15-F128 HydrophobicContact CG-CE1 3.68Å; F15-F128 HydrophobicContact CG-CG 4.01Å; F15-F128 HydrophobicContact CG-CZ 4.43Å; F15-F128 HydrophobicContact CZ-CB 4.03Å; F15-F128 HydrophobicContact CZ-CG 4.47Å; F38-F128 HydrophobicContact CE2-CE2 4.44Å; F38-F128 HydrophobicContact CE2-CZ 4.15Å; F38-F128 HydrophobicContact CZ-CZ 4.21Å; L84-F128 HydrophobicContact CD1-CD2 4.28Å; L84-F128 HydrophobicContact CD1-CE1 4.24Å; L84-F128 HydrophobicContact CD1-CE2 3.56Å; L84-F128 HydrophobicContact CD1-CZ 3.53Å; L84-F128 HydrophobicContact CD2-CD2 4.15Å; L84-F128 HydrophobicContact CD2-CE2 3.96Å; L84-F128 HydrophobicContact CG-CD2 4.48Å; L84-F128 HydrophobicContact CG-CE2 3.8Å; L84-F128 HydrophobicContact CG-CZ 4.24Å; F101-F128 AromaticContact CD2-CD2 3.84Å; F101-F128 HydrophobicContact CD2-CD2 3.84Å; F101-F128 AromaticContact CD2-CE2 3.78Å; F101-F128 HydrophobicContact CD2-CE2 3.78Å; F101-F128 HydrophobicContact CE2-CD2 4.07Å; F101-F128 AromaticContact CE2-CE2 3.8Å; F101-F128 HydrophobicContact CE2-CE2 3.8Å; I124-F128 HydrophobicContact CD1-CD2 4.34Å; I124-F128 HydrophobicContact CD1-CE1 4.47Å; I124-F128 HydrophobicContact CD1-CE2 3.56Å; I124-F128 HydrophobicContact CD1-CZ 3.64Å; I124-F128 HydrophobicContact CG1-CD1 4.41Å; I124-F128 HydrophobicContact CG1-CD2 3.99Å; I124-F128 HydrophobicContact CG1-CE1 4.08Å; I124-F128 HydrophobicContact CG1-CE2 3.64Å; I124-F128 HydrophobicContact CG1-CG 4.38Å; I124-F128 HydrophobicContact CG1-CZ 3.7Å; I124-F128 PolarHBondContact O-N 2.75Å; K125-F128 CarbonylContact O-C 3.46Å; K125-F128 PolarHBondContact O-N 3.14Å; F128-G130 PolarHBondContact O-N 2.88Å; F128-G130 VanDerWaalsContact O-N 3.16Å; F128-I131 HydrophobicContact CB-CD1 3.5Å; F128-I131 HydrophobicContact CB-CG1 3.94Å; F128-I131 HydrophobicContact CD2-CD1 3.47Å; F128-I131 VanDerWaalsContact CD2-CD1 3.47Å; F128-I131 HydrophobicContact CE2-CD1 4.42Å; F128-I131 HydrophobicContact CG-CD1 3.79Å; F128-I131 PolarHBondContact O-N 2.77Å
129T79.8Confident84.7Confident89 Ų8960 Ų6055%0.54632%0.316SS..THydrogen-bonded Turntrans-66.8113.6-178.851.50000111.3K19 K126 K127K19-T129 PolarHBondContact NZ-O 3.1Å; K126-T129 WeakPolarHBondContact O-CG2 3.42Å; K127-T129 PolarHBondContact O-N 2.84Å
130G76.1Confident84.2Confident56 Ų5661.2 Ų61.258%0.57732%0.319SS*.THydrogen-bonded Turntrans105.38.1177.100000115.4F128 K132F128-G130 PolarHBondContact O-N 2.88Å; F128-G130 VanDerWaalsContact O-N 3.16Å; G130-K132 PolarHBondContact O-N 2.83Å
131I82.8Confident83.8Confident41 Ų4166.9 Ų66.921%0.2135%0.349CS..  trans-68.7124.7164-64.8-171000108.9F15 L84 F101 F128 H133F15-I131 HydrophobicContact CD2-CD1 4.12Å; F15-I131 HydrophobicContact CD2-CG1 4.39Å; F15-I131 HydrophobicContact CE2-CD1 3.46Å; F15-I131 VanDerWaalsContact CE2-CD1 3.46Å; F15-I131 HydrophobicContact CE2-CG1 3.3Å; F15-I131 HydrophobicContact CZ-CD1 4.08Å; F15-I131 HydrophobicContact CZ-CG1 3.53Å; L84-I131 HydrophobicContact CD2-CD1 3.39Å; F101-I131 HydrophobicContact CB-CD1 3.82Å; F101-I131 HydrophobicContact CB-CG2 3.91Å; F101-I131 HydrophobicContact CG-CD1 4.49Å; F128-I131 HydrophobicContact CB-CD1 3.5Å; F128-I131 HydrophobicContact CB-CG1 3.94Å; F128-I131 HydrophobicContact CD2-CD1 3.47Å; F128-I131 VanDerWaalsContact CD2-CD1 3.47Å; F128-I131 HydrophobicContact CE2-CD1 4.42Å; F128-I131 HydrophobicContact CG-CD1 3.79Å; F128-I131 PolarHBondContact O-N 2.77Å; I131-H133 WeakPolarHBondContact CG2-O 3.36Å
132K78.1Confident83.5Confident166 Ų16668.1 Ų68.172%0.72236%0.357SS*.  trans-92.5-33.7177.8-64.4179.3-177.5173.70112.2G130G130-K132 PolarHBondContact O-N 2.83Å
133H85.9Confident83.3Confident34 Ų3463.1 Ų63.116%0.15733%0.331CS..EExtended strand (participates in β ladder)trans-111.7119.4-173-59.1-84.5000110.1D98 V100 F101 I131 K152 L153D98-H133 IonicContact OD1-CD2 3.45Å; D98-H133 IonicContact OD1-NE2 3.89Å; V100-H133 WeakPolarHBondContact CA-O 3.29Å; V100-H133 HydrophobicContact CB-CB 4.39Å; V100-H133 HydrophobicContact CG1-CB 4.23Å; V100-H133 HydrophobicContact CG2-CB 4.01Å; F101-H133 PolarHBondContact N-O 2.91Å; I131-H133 WeakPolarHBondContact CG2-O 3.36Å; H133-K152 PolarHBondContact ND1-O 3.14Å; H133-L153 PolarHBondContact CE1-O 3.46Å
134E87.8Confident83Confident76 Ų7666.9 Ų66.936%0.35534%0.343SS..EExtended strand (participates in β ladder)trans-113.9136.9167.767.9178.992.700109.8F101 K121 K125F101-E134 CarbonylContact O-C 3.58Å; F101-E134 WeakPolarHBondContact O-CA 3.26Å; K121-E134 WeakPolarHBondContact CE-OE2 3.2Å; K121-E134 IonicContact NZ-OE2 3.56Å; K121-E134 PolarHBondContact NZ-OE2 3.4Å; K125-E134 IonicContact NZ-OE1 2.73Å; K125-E134 PolarHBondContact NZ-OE1 3.17Å
135W88.3Confident82.8Confident4 Ų470.3 Ų70.32%0.01536%0.361CS..EExtended strand (participates in β ladder)trans-130.4117.5178.4-171.521.2000109.3Y68 V100 F101 I102 F103 V137 D142 I143 T148 L149 K152Y68-W135 HydrophobicContact CE2-CZ3 4.19Å; Y68-W135 WeakPolarHBondContact OH-CH2 3.38Å; Y68-W135 WeakPolarHBondContact OH-CZ3 3.19Å; V100-W135 HydrophobicContact CG1-CB 3.92Å; F101-W135 PolarHBondContact O-N 3.41Å; I102-W135 CarbonylContact C-O 3.57Å; I102-W135 VanDerWaalsContact CA-O 3.25Å; I102-W135 WeakPolarHBondContact CA-O 3.04Å; I102-W135 HydrophobicContact CD1-CE3 3.94Å; I102-W135 HydrophobicContact CD1-CZ3 4.25Å; I102-W135 HydrophobicContact CG1-CE3 4.02Å; I102-W135 HydrophobicContact CG2-CE3 4.38Å; F103-W135 PolarHBondContact N-O 3.01Å; W135-V137 HydrophobicContact CD2-CG2 3.52Å; W135-V137 HydrophobicContact CE3-CG2 4.03Å; W135-V137 HydrophobicContact CG-CG2 3.9Å; W135-V137 HydrophobicContact CH2-CG2 4.06Å; W135-V137 HydrophobicContact CZ2-CG2 3.57Å; W135-V137 HydrophobicContact CZ3-CG2 4.27Å; W135-D142 VanDerWaalsContact CZ2-O 3.32Å; W135-D142 WeakPolarHBondContact CZ2-O 3.3Å; W135-D142 WeakPolarHBondContact CZ2-OD1 3.4Å; W135-D142 PolarHBondContact NE1-OD1 3.33Å; W135-I143 HydrophobicContact CH2-CB 4.37Å; W135-I143 HydrophobicContact CH2-CG1 4.09Å; W135-I143 HydrophobicContact CZ3-CG1 4.15Å; W135-T148 HydrophobicContact CZ2-CG2 3.51Å; W135-L149 HydrophobicContact CD2-CD1 4.48Å; W135-L149 HydrophobicContact CE3-CB 4.33Å; W135-L149 HydrophobicContact CE3-CD1 3.63Å; W135-L149 HydrophobicContact CH2-CB 4.08Å; W135-L149 HydrophobicContact CZ3-CB 3.84Å; W135-L149 HydrophobicContact CZ3-CD1 3.84Å; W135-L149 HydrophobicContact CZ3-CG 4.31Å; W135-K152 HydrophobicContact CB-CG 4.23Å; W135-K152 HydrophobicContact CG-CG 3.9Å
136Q88.3Confident82.5Confident98 Ų9869.2 Ų69.246%0.45835%0.354SS..EExtended strand (participates in β ladder)trans-99.7130.4173.4175.5173.750.400108.2F103F103-Q136 HydrophobicContact CD1-CG 3.93Å; F103-Q136 VanDerWaalsContact CD1-NE2 3.32Å; F103-Q136 VanDerWaalsContact CE1-NE2 3.34Å
137V87.3Confident82.3Confident0 Ų069.4 Ų69.40%035%0.351CS..EExtended strand (participates in β ladder)trans-131.2129.7-178.5-165.70000111.1I102 F103 W104 A105 W135 G139 D142 I143I102-V137 HydrophobicContact CG2-CG2 4.27Å; F103-V137 PolarHBondContact O-N 2.74Å; W104-V137 HydrophobicContact CE3-CB 4.02Å; W104-V137 HydrophobicContact CE3-CG1 4.11Å; W104-V137 HydrophobicContact CZ3-CB 4.26Å; W104-V137 HydrophobicContact CZ3-CG1 3.83Å; A105-V137 PolarHBondContact N-O 3.42Å; W135-V137 HydrophobicContact CD2-CG2 3.52Å; W135-V137 HydrophobicContact CE3-CG2 4.03Å; W135-V137 HydrophobicContact CG-CG2 3.9Å; W135-V137 HydrophobicContact CH2-CG2 4.06Å; W135-V137 HydrophobicContact CZ2-CG2 3.57Å; W135-V137 HydrophobicContact CZ3-CG2 4.27Å; V137-G139 VanDerWaalsContact CG1-O 3.3Å; V137-G139 WeakPolarHBondContact CG1-O 3.48Å; V137-D142 HydrophobicContact CG1-CB 3.65Å; V137-D142 WeakPolarHBondContact CG1-OD1 3.3Å; V137-I143 HydrophobicContact CB-CB 4.38Å; V137-I143 HydrophobicContact CB-CD1 4.19Å; V137-I143 HydrophobicContact CG1-CB 3.73Å; V137-I143 HydrophobicContact CG1-CD1 4.43Å; V137-I143 HydrophobicContact CG2-CB 4.45Å; V137-I143 HydrophobicContact CG2-CD1 4.08Å
138N84.6Confident82.2Confident75 Ų7565.6 Ų65.640%0.40134%0.336SS..  trans-113.9-6.5-173.5-64.167.2000113.2A105 P106 E107A105-N138 WeakPolarHBondContact O-CA 3.41Å; P106-N138 CarbonylContact C-O 3.59Å; P106-N138 VanDerWaalsContact CA-O 3.24Å; P106-N138 WeakPolarHBondContact CA-O 3.3Å; E107-N138 PolarHBondContact N-O 2.81Å; E107-N138 VanDerWaalsContact N-O 3.12Å
139G80.3Confident82.1Confident25 Ų2565.3 Ų65.326%0.25834%0.335SS..SBendtrans-144.7149-176.400000111.8W104 V137 D141 D142 I143W104-G139 WeakPolarHBondContact CZ3-O 3.33Å; V137-G139 VanDerWaalsContact CG1-O 3.3Å; V137-G139 WeakPolarHBondContact CG1-O 3.48Å; G139-D141 PolarHBondContact O-N 3.31Å; G139-D142 PolarHBondContact O-N 3.05Å; G139-I143 PolarHBondContact O-N 3.33Å
140L77.2Confident82.3Confident71 Ų7161.2 Ų61.237%0.37231%0.31SS..Hα-helixtrans-63.2-31178.4-75.7167.3000110.7V72 W104 D142 I143 Q144V72-L140 HydrophobicContact CG1-CD2 4.42Å; W104-L140 HydrophobicContact CH2-CB 4.22Å; W104-L140 HydrophobicContact CH2-CD2 3.43Å; W104-L140 VanDerWaalsContact CH2-CD2 3.43Å; W104-L140 HydrophobicContact CH2-CG 3.61Å; W104-L140 HydrophobicContact CZ2-CD2 3.62Å; W104-L140 HydrophobicContact CZ2-CG 3.93Å; W104-L140 HydrophobicContact CZ3-CD2 4.43Å; L140-D142 VanDerWaalsContact C-N 3.33Å; L140-D142 PolarHBondContact O-N 2.65Å; L140-I143 HydrophobicContact CD2-CG2 4.35Å; L140-I143 WeakPolarHBondContact O-CG2 3.17Å; L140-I143 PolarHBondContact O-N 3Å; L140-Q144 WeakPolarHBondContact O-CB 3.42Å; L140-Q144 WeakPolarHBondContact O-CG 3.37Å; L140-Q144 PolarHBondContact O-N 2.83Å
141D78.4Confident82.7Confident121 Ų12164.8 Ų64.865%0.64731%0.312SS*.Hα-helixtrans-62.6-36.4176.7-65.8-85.9000114.1G139 Q144G139-D141 PolarHBondContact O-N 3.31Å; D141-Q144 VanDerWaalsContact O-CG 3.27Å; D141-Q144 WeakPolarHBondContact O-CG 3.34Å; D141-Q144 PolarHBondContact OD1-NE2 3.39Å
142D79.4Confident82.7Confident63 Ų6367.8 Ų67.834%0.33732%0.323SS..Hα-helixtrans-79.1-35.8-179.6-171.6-98.7000111W135 V137 G139 L140 D145W135-D142 VanDerWaalsContact CZ2-O 3.32Å; W135-D142 WeakPolarHBondContact CZ2-O 3.3Å; W135-D142 WeakPolarHBondContact CZ2-OD1 3.4Å; W135-D142 PolarHBondContact NE1-OD1 3.33Å; V137-D142 HydrophobicContact CG1-CB 3.65Å; V137-D142 WeakPolarHBondContact CG1-OD1 3.3Å; G139-D142 PolarHBondContact O-N 3.05Å; L140-D142 VanDerWaalsContact C-N 3.33Å; L140-D142 PolarHBondContact O-N 2.65Å; D142-D145 PolarHBondContact O-N 3.22Å
143I81.1Confident82.9Confident0 Ų060.3 Ų60.30%029%0.291CS..Hα-helixtrans-80.5-21.8178.4-158.1145000113.8Y68 F71 V72 L75 I102 W104 W135 V137 G139 L140 D145Y68-I143 WeakPolarHBondContact CE1-O 3.33Å; Y68-I143 PolarHBondContact OH-O 3.23Å; F71-I143 HydrophobicContact CE1-CD1 3.89Å; F71-I143 HydrophobicContact CE1-CG1 4.27Å; V72-I143 HydrophobicContact CG1-CG2 4.04Å; V72-I143 HydrophobicContact CG2-CG1 4.23Å; V72-I143 HydrophobicContact CG2-CG2 4.12Å; V72-I143 VanDerWaalsContact CG2-O 3.27Å; V72-I143 WeakPolarHBondContact CG2-O 3.36Å; L75-I143 HydrophobicContact CD1-CD1 3.3Å; L75-I143 HydrophobicContact CD1-CG1 4.02Å; L75-I143 HydrophobicContact CD1-CG2 4.28Å; I102-I143 HydrophobicContact CG2-CD1 3.8Å; W104-I143 HydrophobicContact CE3-CB 4.34Å; W104-I143 HydrophobicContact CE3-CD1 3.72Å; W104-I143 HydrophobicContact CE3-CG2 4.18Å; W104-I143 HydrophobicContact CH2-CG2 3.97Å; W104-I143 HydrophobicContact CZ3-CB 3.86Å; W104-I143 HydrophobicContact CZ3-CD1 4.11Å; W104-I143 HydrophobicContact CZ3-CG2 3.42Å; W104-I143 VanDerWaalsContact CZ3-CG2 3.42Å; W135-I143 HydrophobicContact CH2-CB 4.37Å; W135-I143 HydrophobicContact CH2-CG1 4.09Å; W135-I143 HydrophobicContact CZ3-CG1 4.15Å; V137-I143 HydrophobicContact CB-CB 4.38Å; V137-I143 HydrophobicContact CB-CD1 4.19Å; V137-I143 HydrophobicContact CG1-CB 3.73Å; V137-I143 HydrophobicContact CG1-CD1 4.43Å; V137-I143 HydrophobicContact CG2-CB 4.45Å; V137-I143 HydrophobicContact CG2-CD1 4.08Å; G139-I143 PolarHBondContact O-N 3.33Å; L140-I143 HydrophobicContact CD2-CG2 4.35Å; L140-I143 WeakPolarHBondContact O-CG2 3.17Å; L140-I143 PolarHBondContact O-N 3Å; I143-D145 VanDerWaalsContact C-N 3.27Å
144Q80.4Confident82.4Confident110 Ų11060 Ų6051%0.51430%0.297SS..Hα-helixtrans-76.3-22.8172.770.7177.5-32.200111.7Y68 V72 L140 D141 R146Y68-Q144 WeakPolarHBondContact CE1-O 3.24Å; V72-Q144 HydrophobicContact CG1-CB 4.42Å; L140-Q144 WeakPolarHBondContact O-CB 3.42Å; L140-Q144 WeakPolarHBondContact O-CG 3.37Å; L140-Q144 PolarHBondContact O-N 2.83Å; D141-Q144 VanDerWaalsContact O-CG 3.27Å; D141-Q144 WeakPolarHBondContact O-CG 3.34Å; D141-Q144 PolarHBondContact OD1-NE2 3.39Å; Q144-R146 PolarHBondContact O-N 2.8Å
145D81.4Confident81.9Confident72 Ų7257.6 Ų57.639%0.38529%0.293SS..  trans-80.5118.7-177.2-158.8-68.7000110.3Y68 D142 I143 R147 T148Y68-D145 PolarHBondContact OH-O 3.01Å; D142-D145 PolarHBondContact O-N 3.22Å; I143-D145 VanDerWaalsContact C-N 3.27Å; D145-R147 VanDerWaalsContact C-N 3.25Å; D145-R147 VanDerWaalsContact OD1-CA 3.32Å; D145-R147 WeakPolarHBondContact OD1-CA 3.29Å; D145-R147 WeakPolarHBondContact OD1-CB 3.48Å; D145-R147 PolarHBondContact OD1-N 2.65Å; D145-T148 PolarHBondContact OD1-N 3.3Å
146R77.6Confident81.1Confident80 Ų8065.2 Ų65.230%0.30233%0.334SS..Hα-helixtrans-73.7-25.6-178-53.6170.4-174.4-161.8-11.8110.8D66 Y68 Q144 L149 A150 L166D66-R146 IonicContact OD1-NH2 3.56Å; D66-R146 PolarHBondContact OD1-NH2 2.92Å; D66-R146 IonicContact OD2-CZ 2.85Å; D66-R146 IonicContact OD2-NH1 2.68Å; D66-R146 IonicContact OD2-NH2 2.95Å; D66-R146 PolarHBondContact OD2-NH2 3.13Å; Y68-R146 HydrophobicContact CD1-CG 3.98Å; Y68-R146 HydrophobicContact CE1-CG 3.96Å; Q144-R146 PolarHBondContact O-N 2.8Å; R146-L149 PolarHBondContact O-N 2.73Å; R146-A150 PolarHBondContact O-N 3.47Å; R146-L166 HydrophobicContact CB-CD2 4.04Å; R146-L166 WeakPolarHBondContact O-CD2 2.91Å
147R81.3Confident80.7Confident165 Ų16564.6 Ų64.662%0.62334%0.336SS*.Hα-helixtrans-67.9-40.5179.2-157.4179179167.21.5110.4D145 L149 A150 E151D145-R147 VanDerWaalsContact C-N 3.25Å; D145-R147 VanDerWaalsContact OD1-CA 3.32Å; D145-R147 WeakPolarHBondContact OD1-CA 3.29Å; D145-R147 WeakPolarHBondContact OD1-CB 3.48Å; D145-R147 PolarHBondContact OD1-N 2.65Å; R147-L149 VanDerWaalsContact C-N 3.32Å; R147-L149 PolarHBondContact O-N 2.97Å; R147-A150 CarbonylContact O-C 3.52Å; R147-A150 WeakPolarHBondContact O-CB 3.14Å; R147-A150 PolarHBondContact O-N 3.19Å; R147-E151 WeakPolarHBondContact O-CB 3.4Å; R147-E151 WeakPolarHBondContact O-CG 3.05Å; R147-E151 PolarHBondContact O-N 2.5Å
148T84Confident80.5Confident26 Ų2665.1 Ų65.116%0.1634%0.34CS..Hα-helixtrans-60.9-42.7175.9-47.40000111.7W135 D145 E151 K152W135-T148 HydrophobicContact CZ2-CG2 3.51Å; D145-T148 PolarHBondContact OD1-N 3.3Å; T148-E151 PolarHBondContact O-N 2.92Å; T148-K152 PolarHBondContact O-N 3.27Å; T148-K152 VanDerWaalsContact O-N 3.14Å
149L83Confident80.4Confident0 Ų064.9 Ų64.90%034%0.341CS..Hα-helixtrans-64-45.1174.6179.964000111.5Y68 Y85 A87 V100 W135 R146 R147 E151 K152 L153 L161Y68-L149 HydrophobicContact CD2-CD2 4.06Å; Y68-L149 HydrophobicContact CE2-CB 4.44Å; Y68-L149 HydrophobicContact CE2-CD2 3.63Å; Y85-L149 HydrophobicContact CD1-CD2 4.15Å; Y85-L149 HydrophobicContact CE1-CD2 4.04Å; A87-L149 HydrophobicContact CB-CD2 4.35Å; V100-L149 HydrophobicContact CB-CD1 4.47Å; V100-L149 HydrophobicContact CG1-CD1 4.14Å; V100-L149 HydrophobicContact CG2-CD1 4.17Å; W135-L149 HydrophobicContact CD2-CD1 4.48Å; W135-L149 HydrophobicContact CE3-CB 4.33Å; W135-L149 HydrophobicContact CE3-CD1 3.63Å; W135-L149 HydrophobicContact CH2-CB 4.08Å; W135-L149 HydrophobicContact CZ3-CB 3.84Å; W135-L149 HydrophobicContact CZ3-CD1 3.84Å; W135-L149 HydrophobicContact CZ3-CG 4.31Å; R146-L149 PolarHBondContact O-N 2.73Å; R147-L149 VanDerWaalsContact C-N 3.32Å; R147-L149 PolarHBondContact O-N 2.97Å; L149-E151 VanDerWaalsContact C-N 3.29Å; L149-E151 PolarHBondContact O-N 2.93Å; L149-K152 WeakPolarHBondContact O-CB 3.26Å; L149-K152 PolarHBondContact O-N 3.36Å; L149-K152 VanDerWaalsContact O-N 3.14Å; L149-L153 HydrophobicContact CD1-CD1 4.25Å; L149-L153 HydrophobicContact CG-CD1 3.91Å; L149-L153 WeakPolarHBondContact O-CG 3.23Å; L149-L153 PolarHBondContact O-N 2.94Å; L149-L161 HydrophobicContact CB-CD1 4.11Å; L149-L161 HydrophobicContact CD2-CD1 3.62Å; L149-L161 HydrophobicContact CD2-CD2 3.92Å; L149-L161 HydrophobicContact CD2-CG 4.36Å; L149-L161 HydrophobicContact CG-CD1 3.72Å
150A84.4Confident80.5Confident2 Ų264.7 Ų64.72%0.01734%0.336CS..Hα-helixtrans-61.2-38.2176.200000112.6R146 R147 K152 L153 G154 G155 V158 L161 L166R146-A150 PolarHBondContact O-N 3.47Å; R147-A150 CarbonylContact O-C 3.52Å; R147-A150 WeakPolarHBondContact O-CB 3.14Å; R147-A150 PolarHBondContact O-N 3.19Å; A150-K152 VanDerWaalsContact C-N 3.27Å; A150-K152 PolarHBondContact O-N 2.73Å; A150-L153 PolarHBondContact O-N 3.16Å; A150-L153 VanDerWaalsContact O-N 3.15Å; A150-G154 PolarHBondContact O-N 3.12Å; A150-G155 PolarHBondContact O-N 3.42Å; A150-V158 HydrophobicContact CB-CB 4.13Å; A150-V158 HydrophobicContact CB-CG1 4.12Å; A150-L161 HydrophobicContact CB-CD1 4.17Å; A150-L166 HydrophobicContact CB-CD1 3.3Å; A150-L166 HydrophobicContact CB-CD2 3.45Å; A150-L166 VanDerWaalsContact CB-CD2 3.45Å; A150-L166 HydrophobicContact CB-CG 4.01Å
151E84.9Confident80.8Confident132 Ų13261.6 Ų61.662%0.61732%0.319SS*.Hα-helixtrans-60.1-39.2174.6-79.7-162.89200112R147 T148 L149 G155R147-E151 WeakPolarHBondContact O-CB 3.4Å; R147-E151 WeakPolarHBondContact O-CG 3.05Å; R147-E151 PolarHBondContact O-N 2.5Å; T148-E151 PolarHBondContact O-N 2.92Å; L149-E151 VanDerWaalsContact C-N 3.29Å; L149-E151 PolarHBondContact O-N 2.93Å; E151-G155 PolarHBondContact O-N 3.1Å; E151-G155 VanDerWaalsContact O-N 3.13Å
152K83.8Confident80.8Confident104 Ų10457.8 Ų57.845%0.45230%0.298SS..Hα-helixtrans-70.7-30.2175.6-71-65.4179.8-171.70114.2H133 W135 T148 L149 A150H133-K152 PolarHBondContact ND1-O 3.14Å; W135-K152 HydrophobicContact CB-CG 4.23Å; W135-K152 HydrophobicContact CG-CG 3.9Å; T148-K152 PolarHBondContact O-N 3.27Å; T148-K152 VanDerWaalsContact O-N 3.14Å; L149-K152 WeakPolarHBondContact O-CB 3.26Å; L149-K152 PolarHBondContact O-N 3.36Å; L149-K152 VanDerWaalsContact O-N 3.14Å; A150-K152 VanDerWaalsContact C-N 3.27Å; A150-K152 PolarHBondContact O-N 2.73Å
153L81.1Confident80.5Confident8 Ų857.5 Ų57.54%0.04231%0.309CS..Hα-helixtrans-80.6-41.6-178.9-72.8163.9000112.5A87 Y89 D98 V100 H133 L149 A150 V158 L161A87-L153 HydrophobicContact CB-CD1 3.42Å; A87-L153 VanDerWaalsContact CB-CD1 3.42Å; A87-L153 HydrophobicContact CB-CD2 3.92Å; A87-L153 HydrophobicContact CB-CG 4.25Å; Y89-L153 HydrophobicContact CD1-CB 4.14Å; Y89-L153 HydrophobicContact CD1-CD1 3.92Å; Y89-L153 HydrophobicContact CD1-CD2 4Å; Y89-L153 HydrophobicContact CD1-CG 4.25Å; Y89-L153 HydrophobicContact CE1-CB 4.21Å; Y89-L153 HydrophobicContact CE1-CD2 3.9Å; Y89-L153 HydrophobicContact CE1-CG 4.47Å; Y89-L153 HydrophobicContact CG-CB 4.4Å; Y89-L153 HydrophobicContact CG-CD1 4.3Å; D98-L153 HydrophobicContact CB-CD2 3.99Å; V100-L153 HydrophobicContact CG2-CD2 3.4Å; V100-L153 HydrophobicContact CG2-CG 4.14Å; H133-L153 PolarHBondContact CE1-O 3.46Å; L149-L153 HydrophobicContact CD1-CD1 4.25Å; L149-L153 HydrophobicContact CG-CD1 3.91Å; L149-L153 WeakPolarHBondContact O-CG 3.23Å; L149-L153 PolarHBondContact O-N 2.94Å; A150-L153 PolarHBondContact O-N 3.16Å; A150-L153 VanDerWaalsContact O-N 3.15Å; L153-V158 HydrophobicContact CB-CG2 4.39Å; L153-L161 HydrophobicContact CD1-CD1 3.76Å
154G75.3Confident80.2Confident28 Ų2861 Ų6129%0.28933%0.325SS..THydrogen-bonded Turntrans-166.27.9-176.400000115.2A150 N156 V157A150-G154 PolarHBondContact O-N 3.12Å; G154-N156 PolarHBondContact O-N 3.06Å; G154-V157 WeakPolarHBondContact O-CG2 3.3Å; G154-V157 PolarHBondContact O-N 3.12Å
155G78.2Confident79.8Confident25 Ų2560.7 Ų60.726%0.25833%0.333SS..G310 helixtrans62.2-128.8179.500000111.2A150 E151 V157 V158A150-G155 PolarHBondContact O-N 3.42Å; E151-G155 PolarHBondContact O-N 3.1Å; E151-G155 VanDerWaalsContact O-N 3.13Å; G155-V157 PolarHBondContact O-N 3.29Å; G155-V158 PolarHBondContact O-N 2.86Å
156N71.3Confident79.2Confident164 Ų16462 Ų6288%0.87734%0.339SS*.G310 helixtrans-75.7-4.6-174.6-142.212.5000114.4G154G154-N156 PolarHBondContact O-N 3.06Å
157V79.9Confident79.3Confident85 Ų8561.1 Ų61.152%0.51534%0.34SS..G310 helixtrans-86-17.4177.1-58.30000112.9T91 G154 G155T91-V157 VanDerWaalsContact CA-O 3.25Å; T91-V157 WeakPolarHBondContact CA-O 3.39Å; T91-V157 VanDerWaalsContact CB-O 3.25Å; T91-V157 WeakPolarHBondContact CB-O 3.49Å; T91-V157 HydrophobicContact CG2-CB 4.45Å; T91-V157 HydrophobicContact CG2-CG2 4.05Å; G154-V157 WeakPolarHBondContact O-CG2 3.3Å; G154-V157 PolarHBondContact O-N 3.12Å; G155-V157 PolarHBondContact O-N 3.29Å
158V82.4Confident79.2Confident12 Ų1255.6 Ų55.67%0.07333%0.326CS..EExtended strand (participates in β ladder)trans-81.1123.2179.2-170.70000108.7Y89 A150 L153 G155 S160 L166Y89-V158 HydrophobicContact CD2-CB 4.47Å; Y89-V158 HydrophobicContact CD2-CG1 4.06Å; Y89-V158 HydrophobicContact CD2-CG2 3.76Å; Y89-V158 HydrophobicContact CE2-CG2 4.26Å; Y89-V158 HydrophobicContact CG-CG1 4.27Å; Y89-V158 HydrophobicContact CG-CG2 4.43Å; A150-V158 HydrophobicContact CB-CB 4.13Å; A150-V158 HydrophobicContact CB-CG1 4.12Å; L153-V158 HydrophobicContact CB-CG2 4.39Å; G155-V158 PolarHBondContact O-N 2.86Å; V158-S160 WeakPolarHBondContact CG1-O 3.38Å; V158-L166 HydrophobicContact CB-CD1 3.93Å; V158-L166 HydrophobicContact CG1-CD1 3.65Å; V158-L166 WeakPolarHBondContact O-CD1 3.21Å
159V83.4Confident78.9Confident70 Ų7057.2 Ų57.242%0.42434%0.335SS..EExtended strand (participates in β ladder)trans-97.4-40.3-179.1-176.10000110.4E90 K92E90-V159 PolarHBondContact O-N 3.4Å; K92-V159 HydrophobicContact CB-CG2 4.41Å; K92-V159 HydrophobicContact CG-CG2 3.51Å
160S82.5Confident78.7Confident21 Ų2160.6 Ų60.615%0.14736%0.355CS..EExtended strand (participates in β ladder)trans-142.6147.9179.934.60000110.6Y89 E90 V158 K164Y89-S160 CarbonylContact C-O 3.56Å; Y89-S160 WeakPolarHBondContact CA-O 3.42Å; E90-S160 WeakPolarHBondContact CB-OG 3.24Å; E90-S160 PolarHBondContact N-O 3.4Å; E90-S160 PolarHBondContact O-N 3.27Å; V158-S160 WeakPolarHBondContact CG1-O 3.38Å; S160-K164 CarbonylContact C-O 3.57Å; S160-K164 VanDerWaalsContact CA-O 3.28Å; S160-K164 WeakPolarHBondContact CA-O 3.22Å; S160-K164 VanDerWaalsContact CB-O 3.25Å; S160-K164 WeakPolarHBondContact CB-O 3.35Å
161L82.4Confident78.3Confident5 Ų564.3 Ų64.33%0.02638%0.376CS..EExtended strand (participates in β ladder)trans-121.8123.8178.1-168.8140.2000108.5L149 A150 L153 G163 K164 L166L149-L161 HydrophobicContact CB-CD1 4.11Å; L149-L161 HydrophobicContact CD2-CD1 3.62Å; L149-L161 HydrophobicContact CD2-CD2 3.92Å; L149-L161 HydrophobicContact CD2-CG 4.36Å; L149-L161 HydrophobicContact CG-CD1 3.72Å; A150-L161 HydrophobicContact CB-CD1 4.17Å; L153-L161 HydrophobicContact CD1-CD1 3.76Å; L161-G163 PolarHBondContact O-N 3.43Å; L161-K164 PolarHBondContact N-O 2.75Å; L161-K164 PolarHBondContact O-N 2.86Å; L161-K164 VanDerWaalsContact O-O 3.1Å; L161-L166 HydrophobicContact CB-CD2 4.09Å; L161-L166 HydrophobicContact CB-CG 4.41Å
162E79.9Confident77.9Confident41 Ų4159.7 Ų59.719%0.19236%0.36CS..THydrogen-bonded Turntrans53.336.8-177.7-61.9-167.2111.300114.3K34 P67 Y85 T88 K164K34-E162 WeakPolarHBondContact CE-OE1 2.78Å; P67-E162 VanDerWaalsContact CG-OE1 3.23Å; P67-E162 WeakPolarHBondContact CG-OE1 3.44Å; P67-E162 WeakPolarHBondContact CG-OE2 3.49Å; Y85-E162 PolarHBondContact OH-OE1 3.09Å; Y85-E162 PolarHBondContact OH-OE2 3.12Å; T88-E162 PolarHBondContact O-N 3.44Å; E162-K164 PolarHBondContact O-N 3.28Å
163G72.2Confident77.4Confident57 Ų5756.6 Ų56.659%0.58835%0.353SS*.THydrogen-bonded Turntrans76.81.2-179.300000114.2L161L161-G163 PolarHBondContact O-N 3.43Å
164K74.9Confident77.1Confident73 Ų7360.3 Ų60.332%0.31738%0.377SS..EExtended strand (participates in β ladder)trans-103.1137.9171.7-64.6-172.9-177174.10110.3E65 D66 S160 L161 E162E65-K164 PolarHBondContact O-NZ 2.71Å; D66-K164 WeakPolarHBondContact OD2-CD 3.39Å; D66-K164 WeakPolarHBondContact OD2-CE 3.15Å; D66-K164 IonicContact OD2-NZ 3.26Å; D66-K164 PolarHBondContact OD2-NZ 2.92Å; S160-K164 CarbonylContact C-O 3.57Å; S160-K164 VanDerWaalsContact CA-O 3.28Å; S160-K164 WeakPolarHBondContact CA-O 3.22Å; S160-K164 VanDerWaalsContact CB-O 3.25Å; S160-K164 WeakPolarHBondContact CB-O 3.35Å; L161-K164 PolarHBondContact N-O 2.75Å; L161-K164 PolarHBondContact O-N 2.86Å; L161-K164 VanDerWaalsContact O-O 3.1Å; E162-K164 PolarHBondContact O-N 3.28Å
165P72.8Confident77.3Confident105 Ų10563 Ų6368%0.68238%0.384SS*.EExtended strand (participates in β ladder)trans-64.3147.6173.526.9-32.3000110.5
166L67.6Low77.2Confident98 Ų9866.5 Ų66.551%0.51340%0.396SS..  trans-780175.1-72.9162.2000112.6R146 A150 V158 L161R146-L166 HydrophobicContact CB-CD2 4.04Å; R146-L166 WeakPolarHBondContact O-CD2 2.91Å; A150-L166 HydrophobicContact CB-CD1 3.3Å; A150-L166 HydrophobicContact CB-CD2 3.45Å; A150-L166 VanDerWaalsContact CB-CD2 3.45Å; A150-L166 HydrophobicContact CB-CG 4.01Å; V158-L166 HydrophobicContact CB-CD1 3.93Å; V158-L166 HydrophobicContact CG1-CD1 3.65Å; V158-L166 WeakPolarHBondContact O-CD1 3.21Å; L161-L166 HydrophobicContact CB-CD2 4.09Å; L161-L166 HydrophobicContact CB-CG 4.41Å

Retrieved 166 of 166 residues in 352.6 ms (Link to these results)

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