A0A087XSN9_POEFO Loading...

Cofilin 1

AlphaFold DB (A0A3B3VDA8), UniProt , Accession A0A087XSN9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 167 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
1M45Very low75.2Confident222 Ų22281.4 Ų81.4100%1.09447%0.47SS*.  0107.30-66.7-176.1-7700107.1S3M1-S3 PolarHBondContact O-N 3.37Å
2A46.1Very low76.3Confident102 Ų10276.9 Ų76.984%0.84344%0.443SS*.  trans-81.3116.9-176.300000109G4A2-G4 PolarHBondContact O-N 2.91Å
3S56.2Low77.2Confident48 Ų4877.1 Ų77.134%0.33645%0.452SS..  trans-69.16.7-176.1-156.10000114.1M1 V5M1-S3 PolarHBondContact O-N 3.37Å; S3-V5 WeakPolarHBondContact O-CG2 3.21Å; S3-V5 PolarHBondContact O-N 2.73Å
4G68.8Low78Confident60 Ų6072.7 Ų72.762%0.61943%0.426SS*.  trans61.49.6-17900000114.4A2A2-G4 PolarHBondContact O-N 2.91Å
5V81.6Confident78.6Confident11 Ų1168.1 Ų68.17%0.06740%0.399CS..PPolyproline II helixtrans-77.2128.1-175.1177.80000110.1S3 L41 L45 K46 I48 I117 S121S3-V5 WeakPolarHBondContact O-CG2 3.21Å; S3-V5 PolarHBondContact O-N 2.73Å; V5-L41 HydrophobicContact CG1-CD2 3.67Å; V5-L45 WeakPolarHBondContact CG2-O 3.39Å; V5-K46 CarbonylContact C-O 3.5Å; V5-K46 VanDerWaalsContact CA-O 3.25Å; V5-K46 WeakPolarHBondContact CA-O 3.24Å; V5-I48 HydrophobicContact CG1-CD1 4.09Å; V5-I48 HydrophobicContact CG1-CG1 3.67Å; V5-I117 HydrophobicContact CG2-CG2 4.25Å; V5-S121 VanDerWaalsContact CB-OG 3.25Å; V5-S121 WeakPolarHBondContact CB-OG 3.43Å; V5-S121 WeakPolarHBondContact CG2-OG 3.27Å
6K85.9Confident79.1Confident148 Ų14868.2 Ų68.264%0.64340%0.397SS*.EExtended strand (participates in β ladder)trans-96.3142.5177.8-66.7-176.9176.2-174.70110.2K46 N47 I48K6-K46 PolarHBondContact N-O 2.87Å; K6-N47 CarbonylContact O-C 3.52Å; K6-N47 VanDerWaalsContact O-CA 3.23Å; K6-N47 WeakPolarHBondContact O-CA 3.26Å; K6-I48 PolarHBondContact O-N 3.07Å
7V88.1Confident79.4Confident16 Ų1669.2 Ų69.210%0.09740%0.401CS..EExtended strand (participates in β ladder)trans-89.4127.5169.9-1710000106.7V11 I12 I48 I125 K128V7-V11 HydrophobicContact CG1-CB 3.81Å; V7-V11 HydrophobicContact CG1-CG1 3.7Å; V7-I12 HydrophobicContact CG1-CD1 4.36Å; V7-I12 HydrophobicContact CG1-CG1 3.87Å; V7-I48 HydrophobicContact CG2-CD1 4.3Å; V7-I125 HydrophobicContact CG1-CG1 4.48Å; V7-I125 HydrophobicContact CG2-CB 4.16Å; V7-I125 HydrophobicContact CG2-CG1 4.39Å; V7-K128 HydrophobicContact CB-CB 4.5Å; V7-K128 HydrophobicContact CB-CG 3.96Å; V7-K128 HydrophobicContact CG1-CB 4.45Å; V7-K128 HydrophobicContact CG1-CG 4.4Å; V7-K128 HydrophobicContact CG2-CB 4.25Å; V7-K128 HydrophobicContact CG2-CG 3.75Å
8T89.6Confident79.6Confident28 Ų2866.1 Ų66.117%0.17238%0.382CS..PPolyproline II helixtrans-70150.3175.252.70000111E10 V11 I12 N47 I48 V49T8-E10 PolarHBondContact O-N 3.27Å; T8-V11 PolarHBondContact O-N 3.44Å; T8-V11 VanDerWaalsContact O-N 3.13Å; T8-V11 WeakPolarHBondContact OG1-CG2 3.3Å; T8-I12 PolarHBondContact O-N 3.32Å; T8-N47 HydrophobicContact CG2-CB 4.27Å; T8-I48 WeakPolarHBondContact CB-O 3.46Å; T8-I48 WeakPolarHBondContact CG2-O 3.44Å; T8-I48 PolarHBondContact N-O 3.31Å; T8-I48 PolarHBondContact OG1-O 2.9Å; T8-V49 HydrophobicContact CG2-CG1 3.93Å
9D88.8Confident79.7Confident133 Ų13367.5 Ų67.571%0.71138%0.383SS*.Hα-helixtrans-60.8-28.3179.3-58.3-85.6000112.2I12 S13D9-I12 PolarHBondContact O-N 3.06Å; D9-S13 WeakPolarHBondContact O-CB 3.26Å; D9-S13 PolarHBondContact O-N 2.88Å
10E88.4Confident79.6Confident127 Ų12768.9 Ų68.959%0.59339%0.393SS*.Hα-helixtrans-60.8-44.8174.2-65.7-177.78300112.4T8 I12 S13 V14 L50T8-E10 PolarHBondContact O-N 3.27Å; E10-I12 VanDerWaalsContact C-N 3.3Å; E10-I12 PolarHBondContact O-N 2.9Å; E10-S13 PolarHBondContact O-N 3.18Å; E10-V14 WeakPolarHBondContact O-CG2 3.44Å; E10-V14 PolarHBondContact O-N 3.24Å; E10-L50 HydrophobicContact CB-CD1 3.71Å; E10-L50 HydrophobicContact CB-CG 4.41Å
11V88.9Confident79Confident0 Ų070.4 Ų70.40%039%0.392CS..Hα-helixtrans-63.1-39.9177.4172.50000111V7 T8 F15 F39 I48 L50 I125 F129V7-V11 HydrophobicContact CG1-CB 3.81Å; V7-V11 HydrophobicContact CG1-CG1 3.7Å; T8-V11 PolarHBondContact O-N 3.44Å; T8-V11 VanDerWaalsContact O-N 3.13Å; T8-V11 WeakPolarHBondContact OG1-CG2 3.3Å; V11-F15 WeakPolarHBondContact O-CB 3.46Å; V11-F15 PolarHBondContact O-N 3.33Å; V11-F39 HydrophobicContact CB-CD1 4.25Å; V11-F39 HydrophobicContact CB-CE1 4.21Å; V11-F39 HydrophobicContact CG1-CD1 3.77Å; V11-F39 HydrophobicContact CG1-CE1 3.66Å; V11-F39 HydrophobicContact CG1-CG 4.47Å; V11-F39 HydrophobicContact CG1-CZ 4.34Å; V11-F39 HydrophobicContact CG2-CD1 3.68Å; V11-F39 HydrophobicContact CG2-CE1 4.05Å; V11-I48 HydrophobicContact CG2-CG2 4.35Å; V11-L50 HydrophobicContact CG2-CD2 4.21Å; V11-L50 HydrophobicContact CG2-CG 4.12Å; V11-I125 HydrophobicContact CG1-CD1 4.24Å; V11-F129 HydrophobicContact CG1-CE1 3.7Å; V11-F129 HydrophobicContact CG1-CZ 3.56Å
12I88.4Confident79.9Confident28 Ų2864.8 Ų64.814%0.14436%0.362CS..Hα-helixtrans-68.1-41.2177.8-58.2167.7000110.4V7 T8 D9 E10 F15 N16 K128V7-I12 HydrophobicContact CG1-CD1 4.36Å; V7-I12 HydrophobicContact CG1-CG1 3.87Å; T8-I12 PolarHBondContact O-N 3.32Å; D9-I12 PolarHBondContact O-N 3.06Å; E10-I12 VanDerWaalsContact C-N 3.3Å; E10-I12 PolarHBondContact O-N 2.9Å; I12-F15 PolarHBondContact O-N 2.83Å; I12-N16 WeakPolarHBondContact CG2-ND2 3.19Å; I12-N16 WeakPolarHBondContact O-CB 3.37Å; I12-N16 PolarHBondContact O-N 2.99Å; I12-N16 PolarHBondContact O-ND2 3.17Å; I12-K128 HydrophobicContact CD1-CB 4.46Å; I12-K128 HydrophobicContact CD1-CD 3.72Å; I12-K128 HydrophobicContact CD1-CG 4.12Å; I12-K128 HydrophobicContact CG1-CB 4.19Å; I12-K128 HydrophobicContact CG1-CD 4.35Å; I12-K128 HydrophobicContact CG1-CG 4.36Å
13S88.4Confident80.3Confident79 Ų7964.9 Ų64.955%0.55236%0.362SS*.Hα-helixtrans-63.2-48.1178-171.30000110.9D9 E10 F15 N16 D17D9-S13 WeakPolarHBondContact O-CB 3.26Å; D9-S13 PolarHBondContact O-N 2.88Å; E10-S13 PolarHBondContact O-N 3.18Å; S13-F15 PolarHBondContact O-N 3.23Å; S13-N16 PolarHBondContact O-N 2.81Å; S13-D17 PolarHBondContact O-N 3.14Å
14V87.8Confident80.4Confident16 Ų1671.5 Ų71.510%0.09739%0.388CS..Hα-helixtrans-62.5-42.4177.3172.80000111.9E10 N16 D17 M18 K34 I37 L50E10-V14 WeakPolarHBondContact O-CG2 3.44Å; E10-V14 PolarHBondContact O-N 3.24Å; V14-N16 PolarHBondContact O-N 3.06Å; V14-D17 PolarHBondContact O-N 3.37Å; V14-M18 HydrophobicContact CG1-CG 4.46Å; V14-M18 HydrophobicContact CG1-SD 4.28Å; V14-M18 WeakPolarHBondContact O-CG 3.25Å; V14-M18 PolarHBondContact O-N 3.19Å; V14-K34 HydrophobicContact CG1-CD 3.76Å; V14-I37 HydrophobicContact CG1-CD1 3.76Å; V14-I37 HydrophobicContact CG1-CG2 4.16Å; V14-L50 HydrophobicContact CB-CD2 4.22Å; V14-L50 HydrophobicContact CG2-CD1 4Å; V14-L50 HydrophobicContact CG2-CD2 3.9Å
15F87.3Confident80.2Confident3 Ų369.3 Ų69.31%0.01336%0.364CS..Hα-helixtrans-60.8-44.9175.9170-108.7000112.2V11 I12 S13 D17 M18 K19 L85 F129 I132V11-F15 WeakPolarHBondContact O-CB 3.46Å; V11-F15 PolarHBondContact O-N 3.33Å; I12-F15 PolarHBondContact O-N 2.83Å; S13-F15 PolarHBondContact O-N 3.23Å; F15-D17 VanDerWaalsContact C-N 3.33Å; F15-D17 PolarHBondContact O-N 3.27Å; F15-M18 PolarHBondContact O-N 2.79Å; F15-K19 HydrophobicContact CE1-CD 4.07Å; F15-K19 HydrophobicContact CZ-CD 3.96Å; F15-K19 VanDerWaalsContact O-CB 3.25Å; F15-K19 WeakPolarHBondContact O-CB 2.75Å; F15-K19 PolarHBondContact O-N 3.03Å; F15-L85 HydrophobicContact CB-CD1 4.02Å; F15-L85 HydrophobicContact CD2-CD1 3.53Å; F15-L85 HydrophobicContact CD2-CD2 4.33Å; F15-L85 HydrophobicContact CE2-CD1 4.48Å; F15-L85 HydrophobicContact CG-CD1 4.22Å; F15-F129 HydrophobicContact CB-CD1 3.67Å; F15-F129 HydrophobicContact CB-CE1 3.38Å; F15-F129 HydrophobicContact CB-CZ 4.06Å; F15-F129 HydrophobicContact CD1-CB 4.31Å; F15-F129 AromaticContact CD1-CD1 3.59Å; F15-F129 HydrophobicContact CD1-CD1 3.59Å; F15-F129 HydrophobicContact CD1-CE1 4.23Å; F15-F129 HydrophobicContact CD1-CG 4.19Å; F15-F129 HydrophobicContact CD2-CB 4.4Å; F15-F129 AromaticContact CD2-CD1 3.91Å; F15-F129 HydrophobicContact CD2-CD1 3.91Å; F15-F129 HydrophobicContact CD2-CD2 4.41Å; F15-F129 HydrophobicContact CD2-CE1 4.23Å; F15-F129 HydrophobicContact CD2-CG 4.01Å; F15-F129 VanDerWaalsContact CE1-CA 3.49Å; F15-F129 HydrophobicContact CE1-CB 4.05Å; F15-F129 HydrophobicContact CE1-CD1 4.22Å; F15-F129 HydrophobicContact CE1-CG 4.41Å; F15-F129 HydrophobicContact CE2-CB 4.16Å; F15-F129 HydrophobicContact CE2-CD1 4.49Å; F15-F129 HydrophobicContact CE2-CG 4.25Å; F15-F129 HydrophobicContact CG-CB 4.46Å; F15-F129 AromaticContact CG-CD1 3.4Å; F15-F129 HydrophobicContact CG-CD1 3.4Å; F15-F129 VanDerWaalsContact CG-CD1 3.4Å; F15-F129 AromaticContact CG-CE1 3.67Å; F15-F129 HydrophobicContact CG-CE1 3.67Å; F15-F129 AromaticContact CG-CG 3.96Å; F15-F129 HydrophobicContact CG-CG 3.96Å; F15-F129 HydrophobicContact CG-CZ 4.4Å; F15-F129 HydrophobicContact CZ-CB 3.95Å; F15-F129 HydrophobicContact CZ-CG 4.42Å; F15-I132 HydrophobicContact CD2-CD1 4.12Å; F15-I132 HydrophobicContact CD2-CG1 4.41Å; F15-I132 HydrophobicContact CE2-CD1 3.44Å; F15-I132 VanDerWaalsContact CE2-CD1 3.44Å; F15-I132 HydrophobicContact CE2-CG1 3.31Å; F15-I132 HydrophobicContact CZ-CD1 4.04Å; F15-I132 HydrophobicContact CZ-CG1 3.52Å
16N86.4Confident80Confident70 Ų7074.7 Ų74.737%0.37439%0.392SS..Hα-helixtrans-64.9-38.1177.1-78.7-61.2000111.9I12 S13 V14 K19 V20I12-N16 WeakPolarHBondContact CG2-ND2 3.19Å; I12-N16 WeakPolarHBondContact O-CB 3.37Å; I12-N16 PolarHBondContact O-N 2.99Å; I12-N16 PolarHBondContact O-ND2 3.17Å; S13-N16 PolarHBondContact O-N 2.81Å; V14-N16 PolarHBondContact O-N 3.06Å; N16-K19 PolarHBondContact O-N 3.34Å; N16-V20 VanDerWaalsContact O-CB 3.28Å; N16-V20 WeakPolarHBondContact O-CB 3.32Å; N16-V20 VanDerWaalsContact O-CG2 3.25Å; N16-V20 WeakPolarHBondContact O-CG2 3.35Å; N16-V20 PolarHBondContact O-N 3.1Å
17D84.6Confident79.4Confident85 Ų8575.5 Ų75.546%0.45540%0.399SS..Hα-helixtrans-64.2-45176.2-170.3-101.3000111.8S13 V14 F15 K19S13-D17 PolarHBondContact O-N 3.14Å; V14-D17 PolarHBondContact O-N 3.37Å; F15-D17 VanDerWaalsContact C-N 3.33Å; F15-D17 PolarHBondContact O-N 3.27Å; D17-K19 VanDerWaalsContact C-N 3.31Å; D17-K19 PolarHBondContact O-N 2.99Å
18M82.8Confident78.9Confident13 Ų1379.4 Ų79.46%0.06442%0.419CS..Hα-helixtrans-63-38174.3-72.8-179.487.100112.1V14 F15 K34 K35 I37 L85 D87 L100V14-M18 HydrophobicContact CG1-CG 4.46Å; V14-M18 HydrophobicContact CG1-SD 4.28Å; V14-M18 WeakPolarHBondContact O-CG 3.25Å; V14-M18 PolarHBondContact O-N 3.19Å; F15-M18 PolarHBondContact O-N 2.79Å; M18-K34 HydrophobicContact CE-CB 4.22Å; M18-K34 WeakPolarHBondContact CE-O 3.18Å; M18-K34 HydrophobicContact CG-CB 3.99Å; M18-K34 HydrophobicContact SD-CB 4.1Å; M18-K35 WeakPolarHBondContact CE-O 3.27Å; M18-I37 HydrophobicContact CE-CG2 4.43Å; M18-I37 HydrophobicContact SD-CG2 3.65Å; M18-L85 HydrophobicContact CE-CB 4.35Å; M18-L85 HydrophobicContact SD-CB 4.15Å; M18-D87 HydrophobicContact CE-CB 4.39Å; M18-L100 HydrophobicContact CB-CD1 4.27Å; M18-L100 HydrophobicContact CB-CD2 4.06Å; M18-L100 HydrophobicContact CE-CD2 3.91Å; M18-L100 HydrophobicContact SD-CD2 4.44Å
19K81.1Confident78.4Confident94 Ų9482 Ų8241%0.40943%0.429SS..Hα-helixtrans-73.1-43.6-179.8-176.2-176.3176.9-172.30112.4F15 N16 D17 R21 L100 E130F15-K19 HydrophobicContact CE1-CD 4.07Å; F15-K19 HydrophobicContact CZ-CD 3.96Å; F15-K19 VanDerWaalsContact O-CB 3.25Å; F15-K19 WeakPolarHBondContact O-CB 2.75Å; F15-K19 PolarHBondContact O-N 3.03Å; N16-K19 PolarHBondContact O-N 3.34Å; D17-K19 VanDerWaalsContact C-N 3.31Å; D17-K19 PolarHBondContact O-N 2.99Å; K19-R21 VanDerWaalsContact C-N 3.34Å; K19-R21 PolarHBondContact O-N 3.42Å; K19-L100 HydrophobicContact CB-CD1 3.9Å; K19-L100 HydrophobicContact CG-CD1 4.47Å; K19-E130 PolarHBondContact NZ-O 3Å
20V76.9Confident77.7Confident95 Ų9580.9 Ų80.958%0.57642%0.418SS*.SBendtrans-81.186-178.6179.70000108.2N16 K22N16-V20 VanDerWaalsContact O-CB 3.28Å; N16-V20 WeakPolarHBondContact O-CB 3.32Å; N16-V20 VanDerWaalsContact O-CG2 3.25Å; N16-V20 WeakPolarHBondContact O-CG2 3.35Å; N16-V20 PolarHBondContact O-N 3.1Å; V20-K22 PolarHBondContact O-N 3.19Å
21R67.9Low77Confident101 Ų10182 Ų8238%0.38142%0.417SS..  trans-66106.4171.6-66.8-168.2-177143.518.1109.3K19 A23 D87 E98K19-R21 VanDerWaalsContact C-N 3.34Å; K19-R21 PolarHBondContact O-N 3.42Å; R21-A23 VanDerWaalsContact C-N 3.35Å; R21-A23 PolarHBondContact O-N 2.92Å; R21-D87 IonicContact CZ-OD2 3.4Å; R21-D87 IonicContact NE-OD2 3.96Å; R21-D87 IonicContact NH2-OD2 3.91Å; R21-D87 PolarHBondContact NH2-OD2 2.92Å; R21-E98 VanDerWaalsContact CZ-CB 3.46Å; R21-E98 IonicContact CZ-OE2 2.79Å; R21-E98 IonicContact NE-OE2 3.6Å; R21-E98 VanDerWaalsContact NH1-CB 3.33Å; R21-E98 IonicContact NH1-OE2 2.8Å; R21-E98 PolarHBondContact NH1-OE2 2.89Å; R21-E98 VanDerWaalsContact NH2-C 3.31Å; R21-E98 PolarHBondContact NH2-O 2.79Å
22K64Low76.6Confident104 Ų10488.5 Ų88.545%0.45245%0.445SS..  trans-63.295.3167.2-72.7-171.4-172.7-1790109.2V20 Q24 A25 E29 R33V20-K22 PolarHBondContact O-N 3.19Å; K22-Q24 PolarHBondContact O-N 3.43Å; K22-A25 HydrophobicContact CB-CB 3.89Å; K22-A25 WeakPolarHBondContact O-CB 3.36Å; K22-A25 PolarHBondContact O-N 3.46Å; K22-E29 IonicContact NZ-OE1 2.79Å; K22-E29 PolarHBondContact NZ-OE1 2.64Å; K22-E29 IonicContact NZ-OE2 3.8Å; K22-R33 PolarHBondContact O-NH2 3.38Å
23A54.1Low76.3Confident103 Ų10389.6 Ų89.685%0.85145%0.447SS*.THydrogen-bonded Turntrans-56.6-24.417900000112.9R21R21-A23 VanDerWaalsContact C-N 3.35Å; R21-A23 PolarHBondContact O-N 2.92Å
24Q57.9Low76.2Confident187 Ų18787.8 Ų87.887%0.87443%0.429SS*.THydrogen-bonded Turntrans-105.222.6177.6-68.1177.1-13.300114.1K22 N26K22-Q24 PolarHBondContact O-N 3.43Å; Q24-N26 PolarHBondContact O-N 2.66Å
25A65.1Low76.2Confident14 Ų1487.1 Ų87.112%0.11643%0.425CS..  trans-66.5131.4175.200000111K22 E29 K30K22-A25 HydrophobicContact CB-CB 3.89Å; K22-A25 WeakPolarHBondContact O-CB 3.36Å; K22-A25 PolarHBondContact O-N 3.46Å; A25-E29 HydrophobicContact CB-CB 3.8Å; A25-K30 HydrophobicContact CB-CG 4.41Å
26N77.1Confident76.2Confident124 Ų12487 Ų8766%0.66343%0.425SS*.  trans-56.6159.3168-74.8-6.9000110.6Q24 D28 E29 K30Q24-N26 PolarHBondContact O-N 2.66Å; N26-D28 PolarHBondContact O-N 3.2Å; N26-D28 VanDerWaalsContact O-N 3.12Å; N26-E29 PolarHBondContact O-N 3.38Å; N26-K30 PolarHBondContact O-N 2.84Å
27E74.1Confident76.4Confident166 Ų16683.8 Ų83.878%0.77641%0.407SS*.Hα-helixtrans-52.7-36.6178.6-69.8-166.686.100112.7K30 R31E27-K30 WeakPolarHBondContact O-CB 3.36Å; E27-K30 PolarHBondContact O-N 3.01Å; E27-R31 WeakPolarHBondContact O-CG 3.41Å; E27-R31 PolarHBondContact O-N 2.99Å
28D77.1Confident76.7Confident97 Ų9779.7 Ų79.752%0.51939%0.386SS..Hα-helixtrans-67.3-42.2177.6-136.4-95.5000112.8N26 K30 R31 K32N26-D28 PolarHBondContact O-N 3.2Å; N26-D28 VanDerWaalsContact O-N 3.12Å; D28-K30 VanDerWaalsContact C-N 3.35Å; D28-R31 PolarHBondContact O-N 2.98Å; D28-K32 WeakPolarHBondContact O-CG 3.33Å; D28-K32 PolarHBondContact O-N 3.27Å; D28-K32 VanDerWaalsContact O-N 3.07Å; D28-K32 IonicContact OD1-NZ 2.66Å
29E78.3Confident77.1Confident84 Ų8479.1 Ų79.139%0.39338%0.383SS..Hα-helixtrans-67.7-37.5174.3-82.1-158.9114.700110.9K22 A25 N26 R31 K32 R33K22-E29 IonicContact NZ-OE1 2.79Å; K22-E29 PolarHBondContact NZ-OE1 2.64Å; K22-E29 IonicContact NZ-OE2 3.8Å; A25-E29 HydrophobicContact CB-CB 3.8Å; N26-E29 PolarHBondContact O-N 3.38Å; E29-R31 VanDerWaalsContact C-N 3.29Å; E29-R31 PolarHBondContact O-N 3.41Å; E29-K32 PolarHBondContact O-N 3.46Å; E29-R33 WeakPolarHBondContact O-CG 3.42Å; E29-R33 PolarHBondContact O-N 3.38Å
30K74.3Confident77.5Confident108 Ų10875.7 Ų75.747%0.4737%0.371SS..Hα-helixtrans-59.3-40.7173.3-106.2180-179.4-1790112.1A25 N26 E27 D28 R33A25-K30 HydrophobicContact CB-CG 4.41Å; N26-K30 PolarHBondContact O-N 2.84Å; E27-K30 WeakPolarHBondContact O-CB 3.36Å; E27-K30 PolarHBondContact O-N 3.01Å; D28-K30 VanDerWaalsContact C-N 3.35Å; K30-R33 VanDerWaalsContact O-CB 3.3Å; K30-R33 WeakPolarHBondContact O-CB 3.27Å; K30-R33 WeakPolarHBondContact O-CG 3.46Å; K30-R33 PolarHBondContact O-N 3.2Å
31R75.1Confident78Confident151 Ų15172 Ų7257%0.5735%0.347SS*.Hα-helixtrans-67.7-35.8176.9-76.8176.8149.8-163-7.9112.7E27 D28 E29 R33 G59E27-R31 WeakPolarHBondContact O-CG 3.41Å; E27-R31 PolarHBondContact O-N 2.99Å; D28-R31 PolarHBondContact O-N 2.98Å; E29-R31 VanDerWaalsContact C-N 3.29Å; E29-R31 PolarHBondContact O-N 3.41Å; R31-R33 PolarHBondContact O-N 3.33Å; R31-G59 WeakPolarHBondContact O-CA 3.41Å; R31-G59 PolarHBondContact O-N 3.36Å
32K79.4Confident78.9Confident137 Ų13768.6 Ų68.660%0.59634%0.339SS*.THydrogen-bonded Turntrans-76.3-6175.9-70.2177.9-176177.30114.1D28 E29 K34D28-K32 WeakPolarHBondContact O-CG 3.33Å; D28-K32 PolarHBondContact O-N 3.27Å; D28-K32 VanDerWaalsContact O-N 3.07Å; D28-K32 IonicContact OD1-NZ 2.66Å; E29-K32 PolarHBondContact O-N 3.46Å; K32-K34 PolarHBondContact O-N 2.86Å
33R82.6Confident79.7Confident50 Ų5073.6 Ų73.619%0.18936%0.361CS..SBendtrans-64138.4174.4-69.1171.3-176.6-170.1-4.3109.7K22 E29 K30 R31 K35 L57 L58K22-R33 PolarHBondContact O-NH2 3.38Å; E29-R33 WeakPolarHBondContact O-CG 3.42Å; E29-R33 PolarHBondContact O-N 3.38Å; K30-R33 VanDerWaalsContact O-CB 3.3Å; K30-R33 WeakPolarHBondContact O-CB 3.27Å; K30-R33 WeakPolarHBondContact O-CG 3.46Å; K30-R33 PolarHBondContact O-N 3.2Å; R31-R33 PolarHBondContact O-N 3.33Å; R33-K35 PolarHBondContact O-N 2.93Å; R33-L57 CarbonylContact O-C 3.43Å; R33-L57 WeakPolarHBondContact O-CA 3.25Å; R33-L58 HydrophobicContact CB-CB 4.23Å; R33-L58 HydrophobicContact CB-CD1 3.55Å; R33-L58 HydrophobicContact CB-CG 4.35Å; R33-L58 HydrophobicContact CG-CD1 4.39Å; R33-L58 PolarHBondContact O-N 2.91Å
34K86.4Confident81.1Confident42 Ų4274 Ų7418%0.18335%0.348CS..EExtended strand (participates in β ladder)trans-80.4123.4175.8-54.8-176.3-171.7-144.70108.4V14 M18 K32 I37 E55 I56 L57V14-K34 HydrophobicContact CG1-CD 3.76Å; M18-K34 HydrophobicContact CE-CB 4.22Å; M18-K34 WeakPolarHBondContact CE-O 3.18Å; M18-K34 HydrophobicContact CG-CB 3.99Å; M18-K34 HydrophobicContact SD-CB 4.1Å; K32-K34 PolarHBondContact O-N 2.86Å; K34-I37 HydrophobicContact CD-CD1 4.06Å; K34-E55 WeakPolarHBondContact CD-OE2 3.46Å; K34-E55 WeakPolarHBondContact CE-OE2 3.21Å; K34-E55 IonicContact NZ-OE1 2.82Å; K34-E55 IonicContact NZ-OE2 3.72Å; K34-E55 PolarHBondContact NZ-OE2 3.03Å; K34-I56 CarbonylContact C-O 3.55Å; K34-L57 HydrophobicContact CG-CD2 3.92Å
35K87Confident82.1Confident2 Ų268.2 Ų68.21%0.00932%0.323CS..EExtended strand (participates in β ladder)trans-81.4-49.7170.1-174.268.3160162.40110.5M18 R33 I56 L58 I61 P68 D87 T89 E163M18-K35 WeakPolarHBondContact CE-O 3.27Å; R33-K35 PolarHBondContact O-N 2.93Å; K35-I56 WeakPolarHBondContact CA-O 3.21Å; K35-I56 HydrophobicContact CB-CG2 4.27Å; K35-I56 WeakPolarHBondContact CB-O 3Å; K35-I56 PolarHBondContact N-O 3.2Å; K35-L58 HydrophobicContact CB-CG 4.12Å; K35-L58 HydrophobicContact CD-CD2 3.69Å; K35-L58 HydrophobicContact CD-CG 3.99Å; K35-I61 HydrophobicContact CB-CD1 3.86Å; K35-I61 HydrophobicContact CD-CD1 3.76Å; K35-I61 HydrophobicContact CG-CD1 3.5Å; K35-I61 VanDerWaalsContact CG-CD1 3.5Å; K35-P68 HydrophobicContact CG-CB 4.5Å; K35-D87 HydrophobicContact CD-CB 4.33Å; K35-D87 VanDerWaalsContact CD-O 3.3Å; K35-D87 WeakPolarHBondContact CD-O 3.49Å; K35-D87 WeakPolarHBondContact CE-O 3.21Å; K35-D87 PolarHBondContact NZ-O 3.43Å; K35-D87 IonicContact NZ-OD1 2.71Å; K35-D87 PolarHBondContact O-N 3.4Å; K35-T89 PolarHBondContact NZ-OG1 2.88Å; K35-E163 VanDerWaalsContact CE-CD 3.41Å; K35-E163 VanDerWaalsContact CE-OE1 3.25Å; K35-E163 WeakPolarHBondContact CE-OE1 3.38Å; K35-E163 WeakPolarHBondContact CE-OE2 3.28Å; K35-E163 IonicContact NZ-OE1 2.86Å; K35-E163 PolarHBondContact NZ-OE1 2.79Å; K35-E163 IonicContact NZ-OE2 3.95Å; K35-E163 PolarHBondContact NZ-OE2 2.97Å
36A88.6Confident83Confident0 Ų073.8 Ų73.80%035%0.345CS..EExtended strand (participates in β ladder)trans-133146.5178.700000109.5E55 I56 F72 L85 Y86A36-E55 CarbonylContact O-C 3.55Å; A36-E55 WeakPolarHBondContact O-CA 3.4Å; A36-I56 HydrophobicContact CB-CB 3.95Å; A36-I56 HydrophobicContact CB-CD1 4.03Å; A36-I56 HydrophobicContact CB-CG1 4.15Å; A36-I56 PolarHBondContact N-O 3.23Å; A36-I56 VanDerWaalsContact N-O 3.11Å; A36-I56 PolarHBondContact O-N 3.31Å; A36-F72 HydrophobicContact CB-CD2 3.99Å; A36-L85 CarbonylContact C-O 3.48Å; A36-L85 VanDerWaalsContact CA-O 3.23Å; A36-L85 WeakPolarHBondContact CA-O 3.32Å; A36-Y86 HydrophobicContact CB-CD2 3.58Å; A36-Y86 HydrophobicContact CB-CE2 4.08Å
37I90.3Very high83.5Confident2 Ų270.6 Ų70.61%0.0133%0.328CS..EExtended strand (participates in β ladder)trans-146.8139.1171.1-175.5163.7000110.3V14 M18 K34 F39 L50 E55 A84 L85V14-I37 HydrophobicContact CG1-CD1 3.76Å; V14-I37 HydrophobicContact CG1-CG2 4.16Å; M18-I37 HydrophobicContact CE-CG2 4.43Å; M18-I37 HydrophobicContact SD-CG2 3.65Å; K34-I37 HydrophobicContact CD-CD1 4.06Å; I37-F39 HydrophobicContact CB-CZ 4.45Å; I37-F39 HydrophobicContact CD1-CE1 4.37Å; I37-F39 HydrophobicContact CG1-CE1 4.38Å; I37-F39 HydrophobicContact CG1-CZ 4.36Å; I37-F39 HydrophobicContact CG2-CE1 4.19Å; I37-F39 HydrophobicContact CG2-CE2 3.82Å; I37-F39 HydrophobicContact CG2-CZ 3.41Å; I37-F39 VanDerWaalsContact CG2-CZ 3.41Å; I37-L50 HydrophobicContact CD1-CD2 3.39Å; I37-L50 HydrophobicContact CG1-CD2 4.3Å; I37-E55 HydrophobicContact CB-CB 4.22Å; I37-E55 HydrophobicContact CD1-CB 4.3Å; I37-E55 HydrophobicContact CG1-CB 4.02Å; I37-A84 CarbonylContact O-C 3.49Å; I37-A84 WeakPolarHBondContact O-CA 3.46Å; I37-A84 WeakPolarHBondContact O-CB 3.48Å; I37-L85 HydrophobicContact CG2-CB 3.99Å; I37-L85 PolarHBondContact N-O 3.14Å; I37-L85 PolarHBondContact O-N 2.88Å
38L90.8Very high84.2Confident0 Ų062.7 Ų62.70%029%0.291CS..EExtended strand (participates in β ladder)trans-98.9144.7174.7-71.486.6000111D51 K54 F72 M75 L76 R82 Y83 A84L38-D51 HydrophobicContact CB-CB 4.1Å; L38-D51 WeakPolarHBondContact O-CB 3.44Å; L38-D51 PolarHBondContact O-N 2.63Å; L38-K54 HydrophobicContact CB-CB 4.05Å; L38-K54 HydrophobicContact CD1-CB 4.06Å; L38-K54 WeakPolarHBondContact CD1-O 3.49Å; L38-K54 HydrophobicContact CG-CB 4.42Å; L38-K54 PolarHBondContact N-O 3.39Å; L38-F72 HydrophobicContact CD1-CD2 3.9Å; L38-F72 HydrophobicContact CD1-CE2 3.75Å; L38-F72 HydrophobicContact CG-CE2 4.12Å; L38-M75 HydrophobicContact CD1-CB 4.14Å; L38-M75 HydrophobicContact CD1-SD 4.15Å; L38-M75 HydrophobicContact CD2-CB 4.47Å; L38-L76 HydrophobicContact CD2-CD2 3.45Å; L38-L76 VanDerWaalsContact CD2-CD2 3.45Å; L38-L76 HydrophobicContact CD2-CG 4.19Å; L38-L76 HydrophobicContact CG-CD2 4.43Å; L38-R82 HydrophobicContact CD2-CB 4.48Å; L38-Y83 CarbonylContact C-O 3.59Å; L38-Y83 WeakPolarHBondContact CA-O 3.27Å; L38-A84 HydrophobicContact CG-CB 4.21Å
39F90.8Very high84.9Confident0 Ų059.9 Ų59.90%028%0.277CS..EExtended strand (participates in β ladder)trans-122.8142.5173.7-44.8-85000108.9V11 I37 I48 V49 L50 Y83 L85 F129V11-F39 HydrophobicContact CB-CD1 4.25Å; V11-F39 HydrophobicContact CB-CE1 4.21Å; V11-F39 HydrophobicContact CG1-CD1 3.77Å; V11-F39 HydrophobicContact CG1-CE1 3.66Å; V11-F39 HydrophobicContact CG1-CG 4.47Å; V11-F39 HydrophobicContact CG1-CZ 4.34Å; V11-F39 HydrophobicContact CG2-CD1 3.68Å; V11-F39 HydrophobicContact CG2-CE1 4.05Å; I37-F39 HydrophobicContact CB-CZ 4.45Å; I37-F39 HydrophobicContact CD1-CE1 4.37Å; I37-F39 HydrophobicContact CG1-CE1 4.38Å; I37-F39 HydrophobicContact CG1-CZ 4.36Å; I37-F39 HydrophobicContact CG2-CE1 4.19Å; I37-F39 HydrophobicContact CG2-CE2 3.82Å; I37-F39 HydrophobicContact CG2-CZ 3.41Å; I37-F39 VanDerWaalsContact CG2-CZ 3.41Å; F39-I48 HydrophobicContact CB-CG2 3.98Å; F39-V49 WeakPolarHBondContact CA-O 3.23Å; F39-V49 WeakPolarHBondContact CB-O 3.4Å; F39-L50 HydrophobicContact CD1-CD2 3.63Å; F39-L50 HydrophobicContact CD1-CG 4.48Å; F39-L50 HydrophobicContact CE1-CD2 3.33Å; F39-L50 HydrophobicContact CZ-CD2 4.48Å; F39-Y83 PolarHBondContact N-O 2.71Å; F39-Y83 PolarHBondContact O-N 2.79Å; F39-L85 HydrophobicContact CE2-CB 3.97Å; F39-L85 HydrophobicContact CE2-CD1 3.78Å; F39-L85 HydrophobicContact CE2-CG 3.7Å; F39-L85 HydrophobicContact CZ-CB 4.39Å; F39-L85 HydrophobicContact CZ-CD1 3.73Å; F39-L85 HydrophobicContact CZ-CG 4.16Å; F39-F129 HydrophobicContact CE2-CE2 4.48Å; F39-F129 HydrophobicContact CE2-CZ 4.3Å; F39-F129 HydrophobicContact CZ-CZ 4.22Å
40C88.9Confident85.4Confident23 Ų2357.3 Ų57.316%0.15527%0.266CS..EExtended strand (participates in β ladder)trans-124.9159.9174.562.50000110.5V49 D51 Y118C40-V49 PolarHBondContact N-O 2.81Å; C40-V49 WeakPolarHBondContact O-CG2 3.35Å; C40-V49 PolarHBondContact O-N 2.83Å; C40-V49 VanDerWaalsContact O-O 3.05Å; C40-D51 HydrophobicContact CB-CB 4.48Å; C40-D51 WeakPolarHBondContact CB-OD2 3.4Å; C40-D51 PolarHBondContact SG-OD2 2.73Å; C40-Y118 WeakPolarHBondContact CA-OH 3.45Å
41L87.8Confident86Confident16 Ų1653.3 Ų53.38%0.08425%0.25CC..EExtended strand (participates in β ladder)trans-74.6136.6164.5-72.5169.6000108.4V5 L45 N47 I48 I117 Y118V5-L41 HydrophobicContact CG1-CD2 3.67Å; L41-L45 HydrophobicContact CB-CD2 3.94Å; L41-L45 HydrophobicContact CD1-CD2 3.95Å; L41-N47 WeakPolarHBondContact CA-O 3.37Å; L41-I48 HydrophobicContact CD2-CG1 3.68Å; L41-I117 HydrophobicContact CD1-CB 4.27Å; L41-I117 HydrophobicContact CD1-CG2 3.63Å; L41-Y118 HydrophobicContact CB-CE2 4.13Å; L41-Y118 HydrophobicContact CD1-CD1 4.26Å; L41-Y118 HydrophobicContact CD1-CD2 3.35Å; L41-Y118 HydrophobicContact CD1-CE1 4.21Å; L41-Y118 HydrophobicContact CD1-CE2 3.37Å; L41-Y118 HydrophobicContact CD1-CG 3.83Å; L41-Y118 HydrophobicContact CG-CD1 4.42Å; L41-Y118 HydrophobicContact CG-CD2 4.17Å; L41-Y118 HydrophobicContact CG-CE1 4Å; L41-Y118 HydrophobicContact CG-CE2 3.81Å; L41-Y118 HydrophobicContact CG-CG 4.47Å; L41-Y118 PolarHBondContact N-OH 3.23Å
42S86.6Confident86.1Confident31 Ų3155.1 Ų55.122%0.21727%0.265CS..  trans-57161.3168.9-178.10000110.7D44 L45 N47S42-D44 PolarHBondContact O-N 2.86Å; S42-L45 WeakPolarHBondContact O-CA 3.49Å; S42-L45 PolarHBondContact O-N 2.77Å; S42-N47 PolarHBondContact N-O 2.82Å
43K81.1Confident85.8Confident209 Ų20951.7 Ų51.791%0.90927%0.269SS*.THydrogen-bonded Turntrans-52.4-32.7179.4-70.2179178.9175.20112.7L45K43-L45 PolarHBondContact O-N 3.31Å
44D83.1Confident85.8Confident110 Ų11051.9 Ų51.959%0.58827%0.271SS*.THydrogen-bonded Turntrans-75.8-6.3177.2-62.5-87.8000114.4S42 K46S42-D44 PolarHBondContact O-N 2.86Å; D44-K46 HydrophobicContact CB-CB 4.4Å; D44-K46 WeakPolarHBondContact O-CG 3.45Å; D44-K46 PolarHBondContact O-N 2.84Å
45L80.1Confident85.8Confident66 Ų6653.1 Ų53.135%0.34628%0.277SS..SBendtrans56.418-178-60.1164.8000113.8V5 L41 S42 K43 I117V5-L45 WeakPolarHBondContact CG2-O 3.39Å; L41-L45 HydrophobicContact CB-CD2 3.94Å; L41-L45 HydrophobicContact CD1-CD2 3.95Å; S42-L45 WeakPolarHBondContact O-CA 3.49Å; S42-L45 PolarHBondContact O-N 2.77Å; K43-L45 PolarHBondContact O-N 3.31Å; L45-I117 HydrophobicContact CB-CD1 4.11Å; L45-I117 HydrophobicContact CB-CG2 4.31Å; L45-I117 HydrophobicContact CD1-CD1 3.6Å; L45-I117 HydrophobicContact CD2-CD1 4.43Å; L45-I117 HydrophobicContact CG-CD1 4.25Å
46K83.2Confident85.8Confident132 Ų13253.2 Ų53.257%0.57428%0.278SS*.SBendtrans-108.7-15.3-177.1-75.8173.4-173.5176.60113.8V5 K6 D44V5-K46 CarbonylContact C-O 3.5Å; V5-K46 VanDerWaalsContact CA-O 3.25Å; V5-K46 WeakPolarHBondContact CA-O 3.24Å; K6-K46 PolarHBondContact N-O 2.87Å; D44-K46 HydrophobicContact CB-CB 4.4Å; D44-K46 WeakPolarHBondContact O-CG 3.45Å; D44-K46 PolarHBondContact O-N 2.84Å
47N87.9Confident85.7Confident56 Ų5655.6 Ų55.630%0.29929%0.29SS..EExtended strand (participates in β ladder)trans-131.6137.1-177.5-58.2-69.4000109.5K6 T8 L41 S42 V49K6-N47 CarbonylContact O-C 3.52Å; K6-N47 VanDerWaalsContact O-CA 3.23Å; K6-N47 WeakPolarHBondContact O-CA 3.26Å; T8-N47 HydrophobicContact CG2-CB 4.27Å; L41-N47 WeakPolarHBondContact CA-O 3.37Å; S42-N47 PolarHBondContact N-O 2.82Å; N47-V49 HydrophobicContact CB-CG1 4.43Å
48I89.7Confident85.2Confident0 Ų057.9 Ų57.90%030%0.302CS..EExtended strand (participates in β ladder)trans-90.2121.6168.8-58.6171.6000106.9V5 K6 V7 T8 V11 F39 L41 Y83 I125V5-I48 HydrophobicContact CG1-CD1 4.09Å; V5-I48 HydrophobicContact CG1-CG1 3.67Å; K6-I48 PolarHBondContact O-N 3.07Å; V7-I48 HydrophobicContact CG2-CD1 4.3Å; T8-I48 WeakPolarHBondContact CB-O 3.46Å; T8-I48 WeakPolarHBondContact CG2-O 3.44Å; T8-I48 PolarHBondContact N-O 3.31Å; T8-I48 PolarHBondContact OG1-O 2.9Å; V11-I48 HydrophobicContact CG2-CG2 4.35Å; F39-I48 HydrophobicContact CB-CG2 3.98Å; L41-I48 HydrophobicContact CD2-CG1 3.68Å; I48-Y83 HydrophobicContact CD1-CE2 3.95Å; I48-Y83 HydrophobicContact CG1-CE2 4.37Å; I48-Y83 HydrophobicContact CG2-CD2 4.32Å; I48-I125 HydrophobicContact CD1-CB 3.72Å; I48-I125 HydrophobicContact CD1-CD1 4.08Å; I48-I125 HydrophobicContact CD1-CG1 4.28Å; I48-I125 HydrophobicContact CD1-CG2 4.35Å; I48-I125 HydrophobicContact CG2-CD1 3.87Å
49V90.6Very high84.6Confident38 Ų3858.8 Ų58.823%0.2331%0.311CS..EExtended strand (participates in β ladder)trans-121.7161.7-178.4-61.70000109.8T8 F39 C40 N47T8-V49 HydrophobicContact CG2-CG1 3.93Å; F39-V49 WeakPolarHBondContact CA-O 3.23Å; F39-V49 WeakPolarHBondContact CB-O 3.4Å; C40-V49 PolarHBondContact N-O 2.81Å; C40-V49 WeakPolarHBondContact O-CG2 3.35Å; C40-V49 PolarHBondContact O-N 2.83Å; C40-V49 VanDerWaalsContact O-O 3.05Å; N47-V49 HydrophobicContact CB-CG1 4.43Å
50L89.3Confident84.1Confident31 Ų3161.3 Ų61.316%0.16233%0.325CS..EExtended strand (participates in β ladder)trans-68.5140172.2-61.5162.9000109.1E10 V11 V14 I37 F39 E52E10-L50 HydrophobicContact CB-CD1 3.71Å; E10-L50 HydrophobicContact CB-CG 4.41Å; V11-L50 HydrophobicContact CG2-CD2 4.21Å; V11-L50 HydrophobicContact CG2-CG 4.12Å; V14-L50 HydrophobicContact CB-CD2 4.22Å; V14-L50 HydrophobicContact CG2-CD1 4Å; V14-L50 HydrophobicContact CG2-CD2 3.9Å; I37-L50 HydrophobicContact CD1-CD2 3.39Å; I37-L50 HydrophobicContact CG1-CD2 4.3Å; F39-L50 HydrophobicContact CD1-CD2 3.63Å; F39-L50 HydrophobicContact CD1-CG 4.48Å; F39-L50 HydrophobicContact CE1-CD2 3.33Å; F39-L50 HydrophobicContact CZ-CD2 4.48Å; L50-E52 PolarHBondContact O-N 2.97Å
51D86.2Confident83.5Confident23 Ų2362.5 Ų62.512%0.12333%0.329CS..EExtended strand (participates in β ladder)trans-84.893.3171-156.6-102.3000108.2L38 C40 G53 K54 R82L38-D51 HydrophobicContact CB-CB 4.1Å; L38-D51 WeakPolarHBondContact O-CB 3.44Å; L38-D51 PolarHBondContact O-N 2.63Å; C40-D51 HydrophobicContact CB-CB 4.48Å; C40-D51 WeakPolarHBondContact CB-OD2 3.4Å; C40-D51 PolarHBondContact SG-OD2 2.73Å; D51-G53 PolarHBondContact O-N 2.93Å; D51-K54 HydrophobicContact CB-CB 4.25Å; D51-K54 PolarHBondContact O-N 3.47Å; D51-K54 WeakPolarHBondContact OD1-CB 3.4Å; D51-K54 VanDerWaalsContact OD1-CG 3.23Å; D51-K54 WeakPolarHBondContact OD1-CG 3.25Å; D51-R82 VanDerWaalsContact CG-NH2 3.3Å; D51-R82 IonicContact OD1-CZ 3.14Å; D51-R82 IonicContact OD1-NH1 2.64Å; D51-R82 PolarHBondContact OD1-NH1 2.9Å; D51-R82 IonicContact OD1-NH2 3.01Å; D51-R82 PolarHBondContact OD1-NH2 2.72Å; D51-R82 IonicContact OD2-CZ 3.11Å; D51-R82 IonicContact OD2-NE 3.78Å; D51-R82 IonicContact OD2-NH1 3.38Å; D51-R82 PolarHBondContact OD2-NH1 3.46Å; D51-R82 IonicContact OD2-NH2 2.84Å; D51-R82 PolarHBondContact OD2-NH2 3.11Å
52E76.8Confident82.6Confident189 Ų18965.1 Ų65.188%0.88336%0.36SS*.EExtended strand (participates in β ladder)trans-53.9124.2-178-70.6-179.384.400111.1L50L50-E52 PolarHBondContact O-N 2.97Å
53G73.3Confident81.8Confident66 Ų6669.9 Ų69.968%0.6838%0.383SS*.EExtended strand (participates in β ladder)trans87.80-178.500000115.3D51D51-G53 PolarHBondContact O-N 2.93Å
54K82.6Confident81.2Confident54 Ų5464.7 Ų64.724%0.23537%0.369CS..EExtended strand (participates in β ladder)trans-116.261.4174-63.6-133.8-153.1165.80111.7L38 D51 M75L38-K54 HydrophobicContact CB-CB 4.05Å; L38-K54 HydrophobicContact CD1-CB 4.06Å; L38-K54 WeakPolarHBondContact CD1-O 3.49Å; L38-K54 HydrophobicContact CG-CB 4.42Å; L38-K54 PolarHBondContact N-O 3.39Å; D51-K54 HydrophobicContact CB-CB 4.25Å; D51-K54 PolarHBondContact O-N 3.47Å; D51-K54 WeakPolarHBondContact OD1-CB 3.4Å; D51-K54 VanDerWaalsContact OD1-CG 3.23Å; D51-K54 WeakPolarHBondContact OD1-CG 3.25Å; K54-M75 HydrophobicContact CB-SD 4.15Å; K54-M75 HydrophobicContact CD-CB 3.85Å; K54-M75 HydrophobicContact CD-CG 4.25Å; K54-M75 VanDerWaalsContact CD-O 3.27Å; K54-M75 WeakPolarHBondContact CD-O 3.16Å; K54-M75 PolarHBondContact NZ-O 2.72Å
55E87.2Confident80.8Confident68 Ų6860.1 Ų60.132%0.31835%0.345SS..EExtended strand (participates in β ladder)trans-130.7149.1171.365.1-172.5109.300110K34 A36 I37K34-E55 WeakPolarHBondContact CD-OE2 3.46Å; K34-E55 WeakPolarHBondContact CE-OE2 3.21Å; K34-E55 IonicContact NZ-OE1 2.82Å; K34-E55 IonicContact NZ-OE2 3.72Å; K34-E55 PolarHBondContact NZ-OE2 3.03Å; A36-E55 CarbonylContact O-C 3.55Å; A36-E55 WeakPolarHBondContact O-CA 3.4Å; I37-E55 HydrophobicContact CB-CB 4.22Å; I37-E55 HydrophobicContact CD1-CB 4.3Å; I37-E55 HydrophobicContact CG1-CB 4.02Å
56I86.4Confident80.4Confident4 Ų466 Ų662%0.02137%0.368CS..EExtended strand (participates in β ladder)trans-116.3123.8177.1-58.4176.9000106.7K34 K35 A36 I61 P68 D71 F72 M75K34-I56 CarbonylContact C-O 3.55Å; K35-I56 WeakPolarHBondContact CA-O 3.21Å; K35-I56 HydrophobicContact CB-CG2 4.27Å; K35-I56 WeakPolarHBondContact CB-O 3Å; K35-I56 PolarHBondContact N-O 3.2Å; A36-I56 HydrophobicContact CB-CB 3.95Å; A36-I56 HydrophobicContact CB-CD1 4.03Å; A36-I56 HydrophobicContact CB-CG1 4.15Å; A36-I56 PolarHBondContact N-O 3.23Å; A36-I56 VanDerWaalsContact N-O 3.11Å; A36-I56 PolarHBondContact O-N 3.31Å; I56-I61 HydrophobicContact CG2-CG1 4.44Å; I56-P68 WeakPolarHBondContact CD1-O 2.91Å; I56-P68 HydrophobicContact CG2-CB 4.47Å; I56-D71 HydrophobicContact CD1-CB 4.14Å; I56-F72 HydrophobicContact CD1-CB 3.83Å; I56-M75 HydrophobicContact CD1-CE 4.14Å; I56-M75 HydrophobicContact CD1-SD 4.4Å; I56-M75 HydrophobicContact CG1-CE 3.56Å; I56-M75 HydrophobicContact CG1-SD 4.04Å
57L86.6Confident80.2Confident49 Ų4962.1 Ų62.126%0.25735%0.353SS..EExtended strand (participates in β ladder)trans-89.1145.4175.5-57.7178.3000110.1R33 K34 G59 D60R33-L57 CarbonylContact O-C 3.43Å; R33-L57 WeakPolarHBondContact O-CA 3.25Å; K34-L57 HydrophobicContact CG-CD2 3.92Å; L57-G59 PolarHBondContact O-N 3.41Å; L57-D60 WeakPolarHBondContact O-CB 3.2Å; L57-D60 PolarHBondContact O-N 2.95Å; L57-D60 VanDerWaalsContact O-N 3.08Å
58L81.4Confident79.9Confident50 Ų5059.7 Ų59.726%0.26234%0.341SS..THydrogen-bonded Turntrans-57.7-34.4174-95.4166.1000111.6R33 K35 D60 I61R33-L58 HydrophobicContact CB-CB 4.23Å; R33-L58 HydrophobicContact CB-CD1 3.55Å; R33-L58 HydrophobicContact CB-CG 4.35Å; R33-L58 HydrophobicContact CG-CD1 4.39Å; R33-L58 PolarHBondContact O-N 2.91Å; K35-L58 HydrophobicContact CB-CG 4.12Å; K35-L58 HydrophobicContact CD-CD2 3.69Å; K35-L58 HydrophobicContact CD-CG 3.99Å; L58-D60 VanDerWaalsContact C-N 3.3Å; L58-D60 PolarHBondContact O-N 2.99Å; L58-I61 HydrophobicContact CD2-CD1 3.91Å; L58-I61 WeakPolarHBondContact O-CB 3.37Å; L58-I61 PolarHBondContact O-N 3.23Å
59G78.3Confident79.4Confident19 Ų1959.9 Ų59.920%0.19634%0.341CS..THydrogen-bonded Turntrans-71.2-21.2177.500000114.9R31 L57 I61R31-G59 WeakPolarHBondContact O-CA 3.41Å; R31-G59 PolarHBondContact O-N 3.36Å; L57-G59 PolarHBondContact O-N 3.41Å; G59-I61 VanDerWaalsContact C-N 3.32Å
60D80.1Confident79Confident53 Ų5362.1 Ų62.128%0.28335%0.349SS..THydrogen-bonded Turntrans-76.7-23.9173.3-86.9-76.6000111.8L57 L58 G62 N63 T64 V65L57-D60 WeakPolarHBondContact O-CB 3.2Å; L57-D60 PolarHBondContact O-N 2.95Å; L57-D60 VanDerWaalsContact O-N 3.08Å; L58-D60 VanDerWaalsContact C-N 3.3Å; L58-D60 PolarHBondContact O-N 2.99Å; D60-G62 PolarHBondContact O-N 3.24Å; D60-N63 PolarHBondContact O-N 3.07Å; D60-N63 VanDerWaalsContact O-N 3.07Å; D60-T64 PolarHBondContact O-N 2.93Å; D60-T64 WeakPolarHBondContact OD1-CB 3.21Å; D60-T64 PolarHBondContact OD1-OG1 2.93Å; D60-V65 HydrophobicContact CB-CB 4.41Å; D60-V65 HydrophobicContact CB-CG2 4.01Å; D60-V65 PolarHBondContact O-N 3.15Å
61I76.2Confident78.8Confident49 Ų4963 Ų6325%0.25135%0.354SS..BIsolated β-bridgetrans-68.1121.2178.7-50.7175.7000109.7K35 I56 L58 G59 N63 V65 P68K35-I61 HydrophobicContact CB-CD1 3.86Å; K35-I61 HydrophobicContact CD-CD1 3.76Å; K35-I61 HydrophobicContact CG-CD1 3.5Å; K35-I61 VanDerWaalsContact CG-CD1 3.5Å; I56-I61 HydrophobicContact CG2-CG1 4.44Å; L58-I61 HydrophobicContact CD2-CD1 3.91Å; L58-I61 WeakPolarHBondContact O-CB 3.37Å; L58-I61 PolarHBondContact O-N 3.23Å; G59-I61 VanDerWaalsContact C-N 3.32Å; I61-N63 VanDerWaalsContact C-N 3.3Å; I61-V65 CarbonylContact C-O 3.54Å; I61-V65 VanDerWaalsContact CA-O 3.3Å; I61-V65 WeakPolarHBondContact CA-O 3.47Å; I61-P68 HydrophobicContact CD1-CB 3.89Å; I61-P68 HydrophobicContact CD1-CG 4.03Å; I61-P68 HydrophobicContact CG1-CB 4.07Å; I61-P68 HydrophobicContact CG1-CG 4.37Å; I61-P68 HydrophobicContact CG2-CG 4.17Å
62G67.4Low78.7Confident71 Ų7162 Ų6273%0.73235%0.349SS*.THydrogen-bonded Turntrans85.9-7.4-175.300000114.7D60 V65D60-G62 PolarHBondContact O-N 3.24Å; G62-V65 PolarHBondContact N-O 3.49Å
63N71.4Confident79Confident131 Ų13153.6 Ų53.670%0.70131%0.31SS*.THydrogen-bonded Turntrans-108.6-70.1173.4-169.666.1000111.4D60 I61D60-N63 PolarHBondContact O-N 3.07Å; D60-N63 VanDerWaalsContact O-N 3.07Å; I61-N63 VanDerWaalsContact C-N 3.3Å
64T68.6Low79.5Confident100 Ų10057.9 Ų57.961%0.61331%0.31SS*.THydrogen-bonded Turntrans-96.5-38179.8-42.90000110.9D60D60-T64 PolarHBondContact O-N 2.93Å; D60-T64 WeakPolarHBondContact OD1-CB 3.21Å; D60-T64 PolarHBondContact OD1-OG1 2.93Å
65V74.3Confident79.5Confident13 Ų1356.9 Ų56.98%0.07931%0.307CS..BIsolated β-bridgetrans-106.1105.4-175.8177.60000108.2D60 I61 G62 P68 D71D60-V65 HydrophobicContact CB-CB 4.41Å; D60-V65 HydrophobicContact CB-CG2 4.01Å; D60-V65 PolarHBondContact O-N 3.15Å; I61-V65 CarbonylContact C-O 3.54Å; I61-V65 VanDerWaalsContact CA-O 3.3Å; I61-V65 WeakPolarHBondContact CA-O 3.47Å; G62-V65 PolarHBondContact N-O 3.49Å; V65-P68 HydrophobicContact CG1-CB 4.32Å; V65-D71 HydrophobicContact CG1-CB 3.79Å
66K71.4Confident79.4Confident191 Ų19154 Ų5483%0.8329%0.293SS*.SBendtrans-67.6-48.7174.7-90.4-179.7170.2179.80111.5
67D79.1Confident79.2Confident49 Ų4955 Ų5526%0.26230%0.3SS..  trans-123.3101.6-176.3-76.3-91.7000109.1Y69 E70 D71 R147D67-Y69 PolarHBondContact O-N 2.91Å; D67-E70 HydrophobicContact CB-CB 3.91Å; D67-E70 HydrophobicContact CB-CG 4.06Å; D67-E70 PolarHBondContact O-N 2.78Å; D67-D71 PolarHBondContact O-N 2.75Å; D67-R147 IonicContact OD1-CZ 3.53Å; D67-R147 IonicContact OD1-NH1 3.46Å; D67-R147 PolarHBondContact OD1-NH1 2.97Å; D67-R147 IonicContact OD1-NH2 2.72Å; D67-R147 PolarHBondContact OD1-NH2 3.32Å
68P80.8Confident78.9Confident5 Ų555.9 Ų55.93%0.03231%0.309CS..Hα-helixtrans-60.9-32.9-177.523.1-32.1000111.8K35 I56 I61 V65 F72 E163K35-P68 HydrophobicContact CG-CB 4.5Å; I56-P68 WeakPolarHBondContact CD1-O 2.91Å; I56-P68 HydrophobicContact CG2-CB 4.47Å; I61-P68 HydrophobicContact CD1-CB 3.89Å; I61-P68 HydrophobicContact CD1-CG 4.03Å; I61-P68 HydrophobicContact CG1-CB 4.07Å; I61-P68 HydrophobicContact CG1-CG 4.37Å; I61-P68 HydrophobicContact CG2-CG 4.17Å; V65-P68 HydrophobicContact CG1-CB 4.32Å; P68-F72 WeakPolarHBondContact O-CB 3.07Å; P68-F72 PolarHBondContact O-N 2.95Å; P68-E163 HydrophobicContact CG-CB 4.42Å; P68-E163 HydrophobicContact CG-CG 4.25Å; P68-E163 WeakPolarHBondContact CG-OE2 3.39Å
69Y80.4Confident79Confident4 Ų458.2 Ų58.22%0.01632%0.322CS..Hα-helixtrans-68-46177.4-170.4-103.4000112.3D67 F72 V73 W136 L144 E146 R147 L150D67-Y69 PolarHBondContact O-N 2.91Å; Y69-F72 WeakPolarHBondContact O-CB 3.44Å; Y69-F72 PolarHBondContact O-N 2.86Å; Y69-V73 HydrophobicContact CD1-CG2 4.31Å; Y69-V73 HydrophobicContact CE1-CG2 4.35Å; Y69-V73 WeakPolarHBondContact O-CG2 3.49Å; Y69-V73 PolarHBondContact O-N 2.71Å; Y69-W136 HydrophobicContact CE2-CH2 4.3Å; Y69-W136 HydrophobicContact CE2-CZ3 4.13Å; Y69-W136 VanDerWaalsContact OH-CH2 3.3Å; Y69-W136 WeakPolarHBondContact OH-CH2 3.42Å; Y69-L144 WeakPolarHBondContact CE1-O 3.37Å; Y69-L144 PolarHBondContact OH-O 3.01Å; Y69-E146 PolarHBondContact OH-O 3.24Å; Y69-R147 HydrophobicContact CD1-CG 3.8Å; Y69-R147 HydrophobicContact CE1-CG 3.7Å; Y69-R147 HydrophobicContact CG-CG 4.48Å; Y69-L150 HydrophobicContact CD2-CD2 4.03Å; Y69-L150 HydrophobicContact CE2-CB 4.32Å; Y69-L150 HydrophobicContact CE2-CD2 3.72Å
70E82.1Confident79.2Confident86 Ų8661 Ų6140%0.40233%0.332SS..Hα-helixtrans-66.9-38.8177.7-75.5-175.568.600112.3D67 F72 V73 K74 R147D67-E70 HydrophobicContact CB-CB 3.91Å; D67-E70 HydrophobicContact CB-CG 4.06Å; D67-E70 PolarHBondContact O-N 2.78Å; E70-F72 VanDerWaalsContact C-N 3.34Å; E70-V73 PolarHBondContact O-N 2.78Å; E70-K74 VanDerWaalsContact O-CG 3.32Å; E70-K74 WeakPolarHBondContact O-CG 3.3Å; E70-K74 PolarHBondContact O-N 3.23Å; E70-R147 IonicContact OE2-NH2 3.39Å; E70-R147 PolarHBondContact OE2-NH2 3.19Å
71D84.4Confident79.6Confident50 Ų5058.5 Ų58.527%0.26732%0.319SS..Hα-helixtrans-65.7-41.7176.5-151.6-103.2000110.8I56 V65 D67 V73 K74 M75I56-D71 HydrophobicContact CD1-CB 4.14Å; V65-D71 HydrophobicContact CG1-CB 3.79Å; D67-D71 PolarHBondContact O-N 2.75Å; D71-V73 PolarHBondContact O-N 2.96Å; D71-K74 WeakPolarHBondContact O-CB 3.42Å; D71-K74 PolarHBondContact O-N 2.78Å; D71-K74 VanDerWaalsContact O-N 3.1Å; D71-M75 WeakPolarHBondContact O-CG 3.5Å; D71-M75 PolarHBondContact O-N 2.85Å; D71-M75 WeakPolarHBondContact OD1-CE 3.47Å
72F84.6Confident80.3Confident0 Ų057.7 Ų57.70%031%0.313CS..Hα-helixtrans-57.5-44.9171.7176.1-107.3000112.3A36 L38 I56 P68 Y69 E70 K74 M75 L76 A84 Y86 I103 L144A36-F72 HydrophobicContact CB-CD2 3.99Å; L38-F72 HydrophobicContact CD1-CD2 3.9Å; L38-F72 HydrophobicContact CD1-CE2 3.75Å; L38-F72 HydrophobicContact CG-CE2 4.12Å; I56-F72 HydrophobicContact CD1-CB 3.83Å; P68-F72 WeakPolarHBondContact O-CB 3.07Å; P68-F72 PolarHBondContact O-N 2.95Å; Y69-F72 WeakPolarHBondContact O-CB 3.44Å; Y69-F72 PolarHBondContact O-N 2.86Å; E70-F72 VanDerWaalsContact C-N 3.34Å; F72-K74 VanDerWaalsContact C-N 3.31Å; F72-K74 PolarHBondContact O-N 3.24Å; F72-M75 WeakPolarHBondContact O-CB 3.47Å; F72-M75 PolarHBondContact O-N 2.8Å; F72-L76 HydrophobicContact CD1-CD1 4.27Å; F72-L76 HydrophobicContact CE1-CD1 3.77Å; F72-L76 HydrophobicContact CZ-CD1 3.95Å; F72-L76 HydrophobicContact CZ-CD2 4.31Å; F72-L76 HydrophobicContact CZ-CG 4.38Å; F72-L76 WeakPolarHBondContact O-CG 3.46Å; F72-L76 PolarHBondContact O-N 3.27Å; F72-A84 HydrophobicContact CE2-CB 3.41Å; F72-A84 VanDerWaalsContact CE2-CB 3.41Å; F72-A84 HydrophobicContact CZ-CB 3.41Å; F72-A84 VanDerWaalsContact CZ-CB 3.41Å; F72-Y86 HydrophobicContact CB-CE2 4.48Å; F72-Y86 HydrophobicContact CG-CD2 4.3Å; F72-I103 HydrophobicContact CE1-CD1 3.6Å; F72-I103 HydrophobicContact CE1-CG2 4.48Å; F72-I103 HydrophobicContact CZ-CB 4.45Å; F72-I103 HydrophobicContact CZ-CD1 3.84Å; F72-I103 HydrophobicContact CZ-CG2 4.39Å; F72-L144 HydrophobicContact CD1-CD2 3.74Å; F72-L144 HydrophobicContact CE1-CD1 4.26Å; F72-L144 HydrophobicContact CE1-CD2 3.77Å
73V83.3Confident81.4Confident13 Ų1354.3 Ų54.38%0.07928%0.278CS..Hα-helixtrans-59.4-43.2175.1-178.50000110.8Y69 E70 D71 M75 L76 L141 L144 K145Y69-V73 HydrophobicContact CD1-CG2 4.31Å; Y69-V73 HydrophobicContact CE1-CG2 4.35Å; Y69-V73 WeakPolarHBondContact O-CG2 3.49Å; Y69-V73 PolarHBondContact O-N 2.71Å; E70-V73 PolarHBondContact O-N 2.78Å; D71-V73 PolarHBondContact O-N 2.96Å; V73-M75 VanDerWaalsContact C-N 3.29Å; V73-M75 PolarHBondContact O-N 2.7Å; V73-L76 PolarHBondContact O-N 3.14Å; V73-L141 HydrophobicContact CG1-CD2 3.97Å; V73-L144 HydrophobicContact CB-CD2 3.99Å; V73-L144 HydrophobicContact CG1-CD2 4.34Å; V73-L144 HydrophobicContact CG2-CD2 3.23Å; V73-L144 HydrophobicContact CG2-CG 4.46Å; V73-L144 WeakPolarHBondContact CG2-O 3.47Å; V73-K145 HydrophobicContact CG1-CG 4.35Å
74K83Confident82.3Confident157 Ų15748.1 Ų48.168%0.68324%0.244SC*.Hα-helixtrans-67.2-29.5179.1-71170.5-175.5171.80112.7E70 D71 F72 L76E70-K74 VanDerWaalsContact O-CG 3.32Å; E70-K74 WeakPolarHBondContact O-CG 3.3Å; E70-K74 PolarHBondContact O-N 3.23Å; D71-K74 WeakPolarHBondContact O-CB 3.42Å; D71-K74 PolarHBondContact O-N 2.78Å; D71-K74 VanDerWaalsContact O-N 3.1Å; F72-K74 VanDerWaalsContact C-N 3.31Å; F72-K74 PolarHBondContact O-N 3.24Å; K74-L76 VanDerWaalsContact C-N 3.27Å; K74-L76 PolarHBondContact O-N 2.59Å
75M83.2Confident83.3Confident32 Ų3243.3 Ų43.316%0.15822%0.215CC..Hα-helixtrans-70.8-21.2175.3-72.4-166.9-170.500112.8L38 K54 I56 D71 F72 V73L38-M75 HydrophobicContact CD1-CB 4.14Å; L38-M75 HydrophobicContact CD1-SD 4.15Å; L38-M75 HydrophobicContact CD2-CB 4.47Å; K54-M75 HydrophobicContact CB-SD 4.15Å; K54-M75 HydrophobicContact CD-CB 3.85Å; K54-M75 HydrophobicContact CD-CG 4.25Å; K54-M75 VanDerWaalsContact CD-O 3.27Å; K54-M75 WeakPolarHBondContact CD-O 3.16Å; K54-M75 PolarHBondContact NZ-O 2.72Å; I56-M75 HydrophobicContact CD1-CE 4.14Å; I56-M75 HydrophobicContact CD1-SD 4.4Å; I56-M75 HydrophobicContact CG1-CE 3.56Å; I56-M75 HydrophobicContact CG1-SD 4.04Å; D71-M75 WeakPolarHBondContact O-CG 3.5Å; D71-M75 PolarHBondContact O-N 2.85Å; D71-M75 WeakPolarHBondContact OD1-CE 3.47Å; F72-M75 WeakPolarHBondContact O-CB 3.47Å; F72-M75 PolarHBondContact O-N 2.8Å; V73-M75 VanDerWaalsContact C-N 3.29Å; V73-M75 PolarHBondContact O-N 2.7Å
76L83.6Confident84Confident7 Ų742.8 Ų42.84%0.03721%0.212CC..SBendtrans-80.3126.4-176.8-68.9165.8000112L38 F72 V73 K74 W105 L144L38-L76 HydrophobicContact CD2-CD2 3.45Å; L38-L76 VanDerWaalsContact CD2-CD2 3.45Å; L38-L76 HydrophobicContact CD2-CG 4.19Å; L38-L76 HydrophobicContact CG-CD2 4.43Å; F72-L76 HydrophobicContact CD1-CD1 4.27Å; F72-L76 HydrophobicContact CE1-CD1 3.77Å; F72-L76 HydrophobicContact CZ-CD1 3.95Å; F72-L76 HydrophobicContact CZ-CD2 4.31Å; F72-L76 HydrophobicContact CZ-CG 4.38Å; F72-L76 WeakPolarHBondContact O-CG 3.46Å; F72-L76 PolarHBondContact O-N 3.27Å; V73-L76 PolarHBondContact O-N 3.14Å; K74-L76 VanDerWaalsContact C-N 3.27Å; K74-L76 PolarHBondContact O-N 2.59Å; L76-W105 HydrophobicContact CB-CD2 4.24Å; L76-W105 HydrophobicContact CB-CG 4.44Å; L76-W105 HydrophobicContact CB-CZ2 4.43Å; L76-W105 HydrophobicContact CD1-CD2 4.07Å; L76-W105 HydrophobicContact CD1-CE3 4.04Å; L76-W105 HydrophobicContact CD1-CG 4.36Å; L76-W105 HydrophobicContact CD2-CB 3.84Å; L76-W105 HydrophobicContact CD2-CD2 4.21Å; L76-W105 HydrophobicContact CD2-CG 3.7Å; L76-W105 HydrophobicContact CG-CD2 4.43Å; L76-W105 HydrophobicContact CG-CG 4.41Å; L76-L144 HydrophobicContact CD1-CD1 3.37Å; L76-L144 HydrophobicContact CD1-CD2 3.72Å; L76-L144 HydrophobicContact CD1-CG 4.22Å
77P82.5Confident84.8Confident25 Ų2534 Ų3416%0.16217%0.174CC..  trans-76.1135178.530.2-32.7000111N79 D80 R82 W105P77-N79 VanDerWaalsContact C-N 3.26Å; P77-N79 PolarHBondContact O-N 2.96Å; P77-D80 HydrophobicContact CB-CB 4.08Å; P77-D80 HydrophobicContact CG-CB 3.67Å; P77-R82 HydrophobicContact CG-CG 4.19Å; P77-W105 PolarHBondContact O-NE1 3.05Å
78P80.4Confident85.1Confident68 Ų6831.7 Ų31.744%0.44216%0.161SC..THydrogen-bonded Turntrans-72.1-19.2177.828-34.4000113.6P107 L141P78-P107 VanDerWaalsContact O-CB 3.26Å; P78-P107 WeakPolarHBondContact O-CB 3.32Å; P78-P107 WeakPolarHBondContact O-CG 3.48Å; P78-L141 HydrophobicContact CB-CD1 4.46Å
79N83Confident85.4Confident100 Ų10032 Ų3254%0.53516%0.164SC..THydrogen-bonded Turntrans-105.51.4-175.6-65.7-33.6000113.9P77 A110 P111P77-N79 VanDerWaalsContact C-N 3.26Å; P77-N79 PolarHBondContact O-N 2.96Å; N79-A110 WeakPolarHBondContact O-CA 3.39Å; N79-P111 VanDerWaalsContact O-CD 3.3Å; N79-P111 WeakPolarHBondContact O-CD 3.24Å
80D83.8Confident85.6Confident77 Ų7732.5 Ų32.541%0.41217%0.165SC..SBendtrans-137.7148.4-175.8-96.3-72.5000112P77 W105 P107P77-D80 HydrophobicContact CB-CB 4.08Å; P77-D80 HydrophobicContact CG-CB 3.67Å; D80-W105 VanDerWaalsContact O-CD1 3.23Å; D80-W105 PolarHBondContact O-NE1 2.79Å; D80-P107 VanDerWaalsContact O-CD 3.32Å; D80-P107 WeakPolarHBondContact O-CD 3.42Å; D80-P107 WeakPolarHBondContact O-CG 3.42Å
81C87.3Confident85.8Confident0 Ų031.6 Ų31.60%016%0.161CC..  trans-85.4146.8173.8-56.50000110.2W105 A110 K115 Y118C81-W105 CarbonylContact C-O 3.54Å; C81-W105 WeakPolarHBondContact CA-O 3.23Å; C81-W105 WeakPolarHBondContact CB-O 3.25Å; C81-A110 VanDerWaalsContact SG-CB 3.58Å; C81-K115 WeakPolarHBondContact SG-CG 3.49Å; C81-Y118 HydrophobicContact CB-CD1 4.08Å; C81-Y118 HydrophobicContact CB-CD2 3.56Å; C81-Y118 HydrophobicContact CB-CE1 4.36Å; C81-Y118 HydrophobicContact CB-CE2 3.79Å; C81-Y118 HydrophobicContact CB-CG 3.73Å; C81-Y118 WeakPolarHBondContact O-CE2 3.34Å; C81-Y118 PolarHBondContact O-OH 2.85Å
82R90.8Very high85.8Confident33 Ų3330.8 Ų30.813%0.12516%0.158CC..EExtended strand (participates in β ladder)trans-146157175.1-68.1-170.4175.4-159.1-12.8110.7L38 D51 P77 W105L38-R82 HydrophobicContact CD2-CB 4.48Å; D51-R82 VanDerWaalsContact CG-NH2 3.3Å; D51-R82 IonicContact OD1-CZ 3.14Å; D51-R82 IonicContact OD1-NH1 2.64Å; D51-R82 PolarHBondContact OD1-NH1 2.9Å; D51-R82 IonicContact OD1-NH2 3.01Å; D51-R82 PolarHBondContact OD1-NH2 2.72Å; D51-R82 IonicContact OD2-CZ 3.11Å; D51-R82 IonicContact OD2-NE 3.78Å; D51-R82 IonicContact OD2-NH1 3.38Å; D51-R82 PolarHBondContact OD2-NH1 3.46Å; D51-R82 IonicContact OD2-NH2 2.84Å; D51-R82 PolarHBondContact OD2-NH2 3.11Å; P77-R82 HydrophobicContact CG-CG 4.19Å; R82-W105 PolarHBondContact N-O 2.85Å; R82-W105 WeakPolarHBondContact O-CA 3.43Å; R82-W105 WeakPolarHBondContact O-CB 3.23Å; R82-W105 PolarHBondContact O-N 3.31Å
83Y90.6Very high85.5Confident0 Ų039.5 Ų39.50%020%0.196CC..EExtended strand (participates in β ladder)trans-98.6155.4161.2-52.9-70.6000108.9L38 F39 I48 F102 I103 F104 Y118 K122 I125L38-Y83 CarbonylContact C-O 3.59Å; L38-Y83 WeakPolarHBondContact CA-O 3.27Å; F39-Y83 PolarHBondContact N-O 2.71Å; F39-Y83 PolarHBondContact O-N 2.79Å; I48-Y83 HydrophobicContact CD1-CE2 3.95Å; I48-Y83 HydrophobicContact CG1-CE2 4.37Å; I48-Y83 HydrophobicContact CG2-CD2 4.32Å; Y83-F102 HydrophobicContact CD1-CE1 4.14Å; Y83-F102 HydrophobicContact CD1-CE2 4.07Å; Y83-F102 AromaticContact CD1-CZ 3.34Å; Y83-F102 HydrophobicContact CD1-CZ 3.34Å; Y83-F102 AromaticContact CE1-CZ 3.96Å; Y83-F102 HydrophobicContact CE1-CZ 3.96Å; Y83-F102 HydrophobicContact CG-CE2 4.19Å; Y83-F102 AromaticContact CG-CZ 3.9Å; Y83-F102 HydrophobicContact CG-CZ 3.9Å; Y83-I103 CarbonylContact C-O 3.53Å; Y83-I103 WeakPolarHBondContact CA-O 3.2Å; Y83-F104 HydrophobicContact CD1-CB 4.38Å; Y83-F104 AromaticContact CD1-CD2 3.5Å; Y83-F104 HydrophobicContact CD1-CD2 3.5Å; Y83-F104 VanDerWaalsContact CD1-CD2 3.5Å; Y83-F104 HydrophobicContact CD1-CE2 4.18Å; Y83-F104 HydrophobicContact CD1-CG 4.22Å; Y83-F104 AromaticContact CE1-CD2 3.4Å; Y83-F104 HydrophobicContact CE1-CD2 3.4Å; Y83-F104 AromaticContact CE1-CE2 3.71Å; Y83-F104 HydrophobicContact CE1-CE2 3.71Å; Y83-F104 HydrophobicContact CE1-CG 4.13Å; Y83-Y118 HydrophobicContact CD1-CD1 4.38Å; Y83-Y118 AromaticContact CD2-CD1 3.82Å; Y83-Y118 HydrophobicContact CD2-CD1 3.82Å; Y83-Y118 AromaticContact CD2-CE1 3.75Å; Y83-Y118 HydrophobicContact CD2-CE1 3.75Å; Y83-Y118 AromaticContact CE1-CD1 3.92Å; Y83-Y118 HydrophobicContact CE1-CD1 3.92Å; Y83-Y118 AromaticContact CE2-CD1 3.28Å; Y83-Y118 HydrophobicContact CE2-CD1 3.28Å; Y83-Y118 AromaticContact CE2-CE1 3.57Å; Y83-Y118 HydrophobicContact CE2-CE1 3.57Å; Y83-Y118 HydrophobicContact CE2-CG 4.35Å; Y83-Y118 HydrophobicContact CG-CD1 4.35Å; Y83-Y118 HydrophobicContact CG-CE1 4.44Å; Y83-Y118 AromaticContact CZ-CD1 3.36Å; Y83-Y118 VanDerWaalsContact OH-CA 3.25Å; Y83-Y118 WeakPolarHBondContact OH-CA 3.3Å; Y83-Y118 PolarHBondContact OH-O 3.35Å; Y83-K122 HydrophobicContact CE1-CB 4.41Å; Y83-K122 PolarHBondContact OH-N 2.88Å; Y83-I125 HydrophobicContact CD2-CD1 4.23Å; Y83-I125 HydrophobicContact CG-CD1 4.41Å
84A90.6Very high85.3Confident0 Ų047.8 Ų47.80%023%0.234CC..EExtended strand (participates in β ladder)trans-143.3152.7169.400000110.6I37 L38 F72 I103I37-A84 CarbonylContact O-C 3.49Å; I37-A84 WeakPolarHBondContact O-CA 3.46Å; I37-A84 WeakPolarHBondContact O-CB 3.48Å; L38-A84 HydrophobicContact CG-CB 4.21Å; F72-A84 HydrophobicContact CE2-CB 3.41Å; F72-A84 VanDerWaalsContact CE2-CB 3.41Å; F72-A84 HydrophobicContact CZ-CB 3.41Å; F72-A84 VanDerWaalsContact CZ-CB 3.41Å; A84-I103 HydrophobicContact CB-CB 4.2Å; A84-I103 PolarHBondContact N-O 2.89Å; A84-I103 PolarHBondContact O-N 2.99Å
85L90.2Very high85.3Confident0 Ų043.7 Ų43.70%022%0.222CC..EExtended strand (participates in β ladder)trans-112131.5163.6-78.1170.3000107.6F15 M18 A36 I37 F39 F102 F129 I132F15-L85 HydrophobicContact CB-CD1 4.02Å; F15-L85 HydrophobicContact CD2-CD1 3.53Å; F15-L85 HydrophobicContact CD2-CD2 4.33Å; F15-L85 HydrophobicContact CE2-CD1 4.48Å; F15-L85 HydrophobicContact CG-CD1 4.22Å; M18-L85 HydrophobicContact CE-CB 4.35Å; M18-L85 HydrophobicContact SD-CB 4.15Å; A36-L85 CarbonylContact C-O 3.48Å; A36-L85 VanDerWaalsContact CA-O 3.23Å; A36-L85 WeakPolarHBondContact CA-O 3.32Å; I37-L85 HydrophobicContact CG2-CB 3.99Å; I37-L85 PolarHBondContact N-O 3.14Å; I37-L85 PolarHBondContact O-N 2.88Å; F39-L85 HydrophobicContact CE2-CB 3.97Å; F39-L85 HydrophobicContact CE2-CD1 3.78Å; F39-L85 HydrophobicContact CE2-CG 3.7Å; F39-L85 HydrophobicContact CZ-CB 4.39Å; F39-L85 HydrophobicContact CZ-CD1 3.73Å; F39-L85 HydrophobicContact CZ-CG 4.16Å; L85-F102 HydrophobicContact CD2-CB 4.13Å; L85-F102 HydrophobicContact CD2-CD2 3.99Å; L85-F102 HydrophobicContact CG-CD2 4.45Å; L85-F129 HydrophobicContact CD1-CD2 4.22Å; L85-F129 HydrophobicContact CD1-CE1 4.34Å; L85-F129 HydrophobicContact CD1-CE2 3.54Å; L85-F129 HydrophobicContact CD1-CZ 3.6Å; L85-F129 HydrophobicContact CD2-CD2 4.19Å; L85-F129 HydrophobicContact CD2-CE2 4.04Å; L85-F129 HydrophobicContact CG-CD2 4.49Å; L85-F129 HydrophobicContact CG-CE2 3.85Å; L85-F129 HydrophobicContact CG-CZ 4.36Å; L85-I132 HydrophobicContact CD2-CD1 3.39Å
86Y88.7Confident85.2Confident1 Ų147.6 Ų47.60%0.00424%0.238CC..EExtended strand (participates in β ladder)trans-129.9117.1179.5-171.5-91.4000108.1A36 F72 A88 V101 I103 L150 E163A36-Y86 HydrophobicContact CB-CD2 3.58Å; A36-Y86 HydrophobicContact CB-CE2 4.08Å; F72-Y86 HydrophobicContact CB-CE2 4.48Å; F72-Y86 HydrophobicContact CG-CD2 4.3Å; Y86-A88 HydrophobicContact CD1-CB 3.79Å; Y86-A88 HydrophobicContact CE1-CB 3.85Å; Y86-A88 PolarHBondContact O-N 2.8Å; Y86-V101 PolarHBondContact N-O 2.66Å; Y86-V101 PolarHBondContact O-N 2.99Å; Y86-I103 HydrophobicContact CG-CD1 4.26Å; Y86-L150 HydrophobicContact CD1-CD2 4.33Å; Y86-L150 HydrophobicContact CE1-CD2 4.12Å; Y86-E163 WeakPolarHBondContact OH-CG 3.3Å; Y86-E163 PolarHBondContact OH-OE2 2.87Å
87D88.4Confident85.2Confident7 Ų752.3 Ų52.34%0.03726%0.259CS..EExtended strand (participates in β ladder)trans-78.699.1170-178.7-94.5000107.5M18 R21 K35 L100M18-D87 HydrophobicContact CE-CB 4.39Å; R21-D87 IonicContact CZ-OD2 3.4Å; R21-D87 IonicContact NE-OD2 3.96Å; R21-D87 IonicContact NH2-OD2 3.91Å; R21-D87 PolarHBondContact NH2-OD2 2.92Å; K35-D87 HydrophobicContact CD-CB 4.33Å; K35-D87 VanDerWaalsContact CD-O 3.3Å; K35-D87 WeakPolarHBondContact CD-O 3.49Å; K35-D87 WeakPolarHBondContact CE-O 3.21Å; K35-D87 PolarHBondContact NZ-O 3.43Å; K35-D87 IonicContact NZ-OD1 2.71Å; K35-D87 PolarHBondContact O-N 3.4Å; D87-L100 HydrophobicContact CB-CD2 4.08Å
88A86.1Confident85.4Confident0 Ų054.5 Ų54.50%027%0.266CS..EExtended strand (participates in β ladder)trans-87.3118.7-179.700000109.9Y86 E98 D99 V101 L150 L154Y86-A88 HydrophobicContact CD1-CB 3.79Å; Y86-A88 HydrophobicContact CE1-CB 3.85Å; Y86-A88 PolarHBondContact O-N 2.8Å; A88-E98 CarbonylContact O-C 3.5Å; A88-E98 VanDerWaalsContact O-CA 3.23Å; A88-E98 WeakPolarHBondContact O-CA 3.13Å; A88-D99 PolarHBondContact N-O 3.13Å; A88-D99 PolarHBondContact O-N 3.37Å; A88-V101 HydrophobicContact CB-CG2 4Å; A88-L150 HydrophobicContact CB-CD2 4.3Å; A88-L154 HydrophobicContact CB-CD1 3.43Å; A88-L154 VanDerWaalsContact CB-CD1 3.43Å; A88-L154 HydrophobicContact CB-CD2 4.09Å; A88-L154 HydrophobicContact CB-CG 4.34Å
89T85.9Confident85.7Confident13 Ų1353 Ų538%0.0826%0.255CS..EExtended strand (participates in β ladder)trans-92.3122.3171.3-57.50000108.6K35 K96 K97 E98 E163K35-T89 PolarHBondContact NZ-OG1 2.88Å; T89-K96 HydrophobicContact CG2-CD 4.31Å; T89-K96 HydrophobicContact CG2-CG 4.24Å; T89-K97 WeakPolarHBondContact CA-O 3.38Å; T89-E98 HydrophobicContact CG2-CG 3.76Å; T89-E163 WeakPolarHBondContact CA-OE1 3.25Å; T89-E163 VanDerWaalsContact CB-OE1 3.26Å; T89-E163 WeakPolarHBondContact CB-OE1 3.25Å; T89-E163 PolarHBondContact N-OE1 2.8Å; T89-E163 PolarHBondContact O-N 3.07Å
90Y85.7Confident85.9Confident13 Ų1349.1 Ų49.15%0.05123%0.234CC..EExtended strand (participates in β ladder)trans-138.7145.7-17963.9-85.2000110.6T92 K97 D99 L154 I159 T161Y90-T92 HydrophobicContact CD2-CG2 4.24Å; Y90-T92 HydrophobicContact CE2-CG2 4.22Å; Y90-K97 HydrophobicContact CD1-CB 4.47Å; Y90-K97 HydrophobicContact CD2-CB 4.27Å; Y90-K97 HydrophobicContact CE1-CB 3.94Å; Y90-K97 HydrophobicContact CE2-CB 3.78Å; Y90-K97 HydrophobicContact CE2-CD 4.32Å; Y90-K97 PolarHBondContact N-O 3.23Å; Y90-K97 CarbonylContact O-C 3.5Å; Y90-K97 PolarHBondContact O-N 2.79Å; Y90-D99 HydrophobicContact CE1-CB 4.09Å; Y90-D99 PolarHBondContact OH-OD2 2.87Å; Y90-D99 VanDerWaalsContact OH-OD2 3.1Å; Y90-L154 HydrophobicContact CD1-CB 4.25Å; Y90-L154 HydrophobicContact CD1-CD1 3.83Å; Y90-L154 HydrophobicContact CD1-CD2 4.16Å; Y90-L154 HydrophobicContact CD1-CG 4.31Å; Y90-L154 HydrophobicContact CE1-CB 4.11Å; Y90-L154 HydrophobicContact CE1-CD1 4.33Å; Y90-L154 HydrophobicContact CE1-CD2 3.83Å; Y90-L154 HydrophobicContact CE1-CG 4.32Å; Y90-L154 HydrophobicContact CG-CD1 4.34Å; Y90-I159 HydrophobicContact CD2-CB 4.5Å; Y90-I159 HydrophobicContact CD2-CD1 3.49Å; Y90-I159 VanDerWaalsContact CD2-CD1 3.49Å; Y90-I159 HydrophobicContact CD2-CG1 3.67Å; Y90-I159 HydrophobicContact CD2-CG2 4.15Å; Y90-I159 HydrophobicContact CE2-CD1 3.91Å; Y90-I159 HydrophobicContact CE2-CG1 4.13Å; Y90-I159 HydrophobicContact CG-CD1 3.87Å; Y90-I159 HydrophobicContact CG-CG1 4.43Å; Y90-I159 HydrophobicContact CG-CG2 4.37Å; Y90-T161 CarbonylContact C-O 3.53Å; Y90-T161 VanDerWaalsContact CA-O 3.31Å; Y90-T161 WeakPolarHBondContact CA-O 3.48Å
91E85.3Confident86.2Confident67 Ų6745.5 Ų45.531%0.31321%0.214SC..EExtended strand (participates in β ladder)trans-112.6126.4178.3-52.6-17837.700108.4K96 V160 T161E91-K96 HydrophobicContact CG-CB 3.85Å; E91-K96 HydrophobicContact CG-CD 4.01Å; E91-K96 HydrophobicContact CG-CG 3.75Å; E91-K96 WeakPolarHBondContact OE2-CD 3.42Å; E91-K96 WeakPolarHBondContact OE2-CE 3.22Å; E91-K96 IonicContact OE2-NZ 3.26Å; E91-K96 PolarHBondContact OE2-NZ 3.05Å; E91-V160 PolarHBondContact O-N 3.02Å; E91-T161 VanDerWaalsContact CB-OG1 3.31Å; E91-T161 WeakPolarHBondContact CB-OG1 3.29Å; E91-T161 PolarHBondContact N-O 3.02Å; E91-T161 PolarHBondContact O-N 2.68Å
92T84.3Confident86.3Confident34 Ų3445.8 Ų45.821%0.20922%0.216CC..EExtended strand (participates in β ladder)trans-90.7173.5166.568.70000108.6Y90 E94 T95 A158Y90-T92 HydrophobicContact CD2-CG2 4.24Å; Y90-T92 HydrophobicContact CE2-CG2 4.22Å; T92-E94 PolarHBondContact O-N 3.34Å; T92-T95 PolarHBondContact N-O 3.15Å; T92-T95 PolarHBondContact O-N 3.42Å; T92-T95 PolarHBondContact OG1-N 3.35Å; T92-T95 PolarHBondContact OG1-O 3.12Å; T92-A158 WeakPolarHBondContact CA-O 3.46Å; T92-A158 VanDerWaalsContact CB-O 3.29Å; T92-A158 WeakPolarHBondContact CB-O 3.33Å; T92-A158 WeakPolarHBondContact CG2-O 3.03Å
93K78.9Confident86.3Confident183 Ų18344.3 Ų44.380%0.79621%0.21SC*.SBendtrans-54.4-21-180-68.4-178.9178.8179.30114.6V160K93-V160 HydrophobicContact CB-CG2 4.43Å; K93-V160 HydrophobicContact CG-CG2 3.51Å
94E78.1Confident86.3Confident187 Ų18744.5 Ų44.587%0.87421%0.211SC*.SBendtrans-119.6-24-172.4-71.3171.381.700113.5T92T92-E94 PolarHBondContact O-N 3.34Å
95T83.1Confident86.3Confident71 Ų7144.5 Ų44.544%0.43621%0.211SC..  trans-157.6154.2-174.5-163.40000113.4T92 K97T92-T95 PolarHBondContact N-O 3.15Å; T92-T95 PolarHBondContact O-N 3.42Å; T92-T95 PolarHBondContact OG1-N 3.35Å; T92-T95 PolarHBondContact OG1-O 3.12Å; T95-K97 HydrophobicContact CG2-CD 4.36Å; T95-K97 HydrophobicContact CG2-CG 4.04Å
96K81.4Confident86.2Confident114 Ų11444.9 Ų44.950%0.49621%0.214SC..EExtended strand (participates in β ladder)trans-88.3125.4170.5-178.2163.7-164.9146.70109.7T89 E91T89-K96 HydrophobicContact CG2-CD 4.31Å; T89-K96 HydrophobicContact CG2-CG 4.24Å; E91-K96 HydrophobicContact CG-CB 3.85Å; E91-K96 HydrophobicContact CG-CD 4.01Å; E91-K96 HydrophobicContact CG-CG 3.75Å; E91-K96 WeakPolarHBondContact OE2-CD 3.42Å; E91-K96 WeakPolarHBondContact OE2-CE 3.22Å; E91-K96 IonicContact OE2-NZ 3.26Å; E91-K96 PolarHBondContact OE2-NZ 3.05Å
97K84.6Confident86.1Confident106 Ų10645.1 Ų45.146%0.46122%0.216SC..EExtended strand (participates in β ladder)trans-122.2160175.9-75.5-176.4170.6-172.50110.3T89 Y90 T95T89-K97 WeakPolarHBondContact CA-O 3.38Å; Y90-K97 HydrophobicContact CD1-CB 4.47Å; Y90-K97 HydrophobicContact CD2-CB 4.27Å; Y90-K97 HydrophobicContact CE1-CB 3.94Å; Y90-K97 HydrophobicContact CE2-CB 3.78Å; Y90-K97 HydrophobicContact CE2-CD 4.32Å; Y90-K97 PolarHBondContact N-O 3.23Å; Y90-K97 CarbonylContact O-C 3.5Å; Y90-K97 PolarHBondContact O-N 2.79Å; T95-K97 HydrophobicContact CG2-CD 4.36Å; T95-K97 HydrophobicContact CG2-CG 4.04Å
98E85.8Confident85.9Confident70 Ų7052.9 Ų52.933%0.32725%0.252SS..EExtended strand (participates in β ladder)trans-146.7119.4179.5-58168111.500106.3R21 A88 T89R21-E98 VanDerWaalsContact CZ-CB 3.46Å; R21-E98 IonicContact CZ-OE2 2.79Å; R21-E98 IonicContact NE-OE2 3.6Å; R21-E98 VanDerWaalsContact NH1-CB 3.33Å; R21-E98 IonicContact NH1-OE2 2.8Å; R21-E98 PolarHBondContact NH1-OE2 2.89Å; R21-E98 VanDerWaalsContact NH2-C 3.31Å; R21-E98 PolarHBondContact NH2-O 2.79Å; A88-E98 CarbonylContact O-C 3.5Å; A88-E98 VanDerWaalsContact O-CA 3.23Å; A88-E98 WeakPolarHBondContact O-CA 3.13Å; T89-E98 HydrophobicContact CG2-CG 3.76Å
99D86.8Confident85.8Confident36 Ų3657.2 Ų57.219%0.19328%0.283CS..EExtended strand (participates in β ladder)trans-128.5142.7-179.3-84.6-90.7000110.6A88 Y90 V101 H134 L154A88-D99 PolarHBondContact N-O 3.13Å; A88-D99 PolarHBondContact O-N 3.37Å; Y90-D99 HydrophobicContact CE1-CB 4.09Å; Y90-D99 PolarHBondContact OH-OD2 2.87Å; Y90-D99 VanDerWaalsContact OH-OD2 3.1Å; D99-V101 PolarHBondContact O-N 3.35Å; D99-H134 IonicContact OD1-CD2 3.66Å; D99-H134 IonicContact OD1-NE2 3.92Å; D99-L154 HydrophobicContact CB-CD2 4.03Å
100L88.1Confident85.7Confident20 Ų2056.8 Ų56.811%0.10528%0.28CS..EExtended strand (participates in β ladder)trans-76.3120.8173.5-86158.4000110M18 K19 D87M18-L100 HydrophobicContact CB-CD1 4.27Å; M18-L100 HydrophobicContact CB-CD2 4.06Å; M18-L100 HydrophobicContact CE-CD2 3.91Å; M18-L100 HydrophobicContact SD-CD2 4.44Å; K19-L100 HydrophobicContact CB-CD1 3.9Å; K19-L100 HydrophobicContact CG-CD1 4.47Å; D87-L100 HydrophobicContact CB-CD2 4.08Å
101V88.9Confident85.7Confident0 Ų059.4 Ų59.40%030%0.299CS..EExtended strand (participates in β ladder)trans-106.9123.7176.9-171.10000109Y86 A88 D99 I103 H134 W136 L150 L154Y86-V101 PolarHBondContact N-O 2.66Å; Y86-V101 PolarHBondContact O-N 2.99Å; A88-V101 HydrophobicContact CB-CG2 4Å; D99-V101 PolarHBondContact O-N 3.35Å; V101-I103 HydrophobicContact CG1-CG1 4.03Å; V101-H134 WeakPolarHBondContact CA-O 3.36Å; V101-H134 HydrophobicContact CB-CB 4.39Å; V101-H134 HydrophobicContact CG1-CB 4.23Å; V101-H134 HydrophobicContact CG2-CB 4Å; V101-W136 HydrophobicContact CG1-CB 3.94Å; V101-L150 HydrophobicContact CB-CD1 4.44Å; V101-L150 HydrophobicContact CG1-CD1 4.13Å; V101-L150 HydrophobicContact CG2-CD1 4.11Å; V101-L154 HydrophobicContact CG2-CD2 3.39Å; V101-L154 HydrophobicContact CG2-CG 4.13Å
102F91.2Very high85.7Confident7 Ų762.1 Ų62.13%0.03132%0.315CS..EExtended strand (participates in β ladder)trans-84.1113.1168.4179.4-106.9000109.8Y83 L85 F104 K122 I125 F129 I132 H134 E135 W136Y83-F102 HydrophobicContact CD1-CE1 4.14Å; Y83-F102 HydrophobicContact CD1-CE2 4.07Å; Y83-F102 AromaticContact CD1-CZ 3.34Å; Y83-F102 HydrophobicContact CD1-CZ 3.34Å; Y83-F102 AromaticContact CE1-CZ 3.96Å; Y83-F102 HydrophobicContact CE1-CZ 3.96Å; Y83-F102 HydrophobicContact CG-CE2 4.19Å; Y83-F102 AromaticContact CG-CZ 3.9Å; Y83-F102 HydrophobicContact CG-CZ 3.9Å; L85-F102 HydrophobicContact CD2-CB 4.13Å; L85-F102 HydrophobicContact CD2-CD2 3.99Å; L85-F102 HydrophobicContact CG-CD2 4.45Å; F102-F104 HydrophobicContact CE1-CB 4.28Å; F102-K122 HydrophobicContact CE1-CG 4.37Å; F102-I125 HydrophobicContact CE2-CD1 4.11Å; F102-I125 HydrophobicContact CE2-CG2 4.15Å; F102-I125 HydrophobicContact CZ-CG2 3.69Å; F102-F129 AromaticContact CD2-CD2 3.84Å; F102-F129 HydrophobicContact CD2-CD2 3.84Å; F102-F129 AromaticContact CD2-CE2 3.83Å; F102-F129 HydrophobicContact CD2-CE2 3.83Å; F102-F129 HydrophobicContact CE2-CD2 4.06Å; F102-F129 AromaticContact CE2-CE2 3.82Å; F102-F129 HydrophobicContact CE2-CE2 3.82Å; F102-I132 HydrophobicContact CB-CD1 3.84Å; F102-I132 HydrophobicContact CB-CG2 3.93Å; F102-H134 PolarHBondContact N-O 2.91Å; F102-E135 CarbonylContact O-C 3.56Å; F102-E135 WeakPolarHBondContact O-CA 3.33Å; F102-W136 PolarHBondContact O-N 3.38Å
103I89.3Confident85.6Confident1 Ų168.5 Ų68.51%0.00534%0.34CS..EExtended strand (participates in β ladder)trans-100.7123.8179.9-54.3178.3000108.6F72 Y83 A84 Y86 V101 W136 V138 L144F72-I103 HydrophobicContact CE1-CD1 3.6Å; F72-I103 HydrophobicContact CE1-CG2 4.48Å; F72-I103 HydrophobicContact CZ-CB 4.45Å; F72-I103 HydrophobicContact CZ-CD1 3.84Å; F72-I103 HydrophobicContact CZ-CG2 4.39Å; Y83-I103 CarbonylContact C-O 3.53Å; Y83-I103 WeakPolarHBondContact CA-O 3.2Å; A84-I103 HydrophobicContact CB-CB 4.2Å; A84-I103 PolarHBondContact N-O 2.89Å; A84-I103 PolarHBondContact O-N 2.99Å; Y86-I103 HydrophobicContact CG-CD1 4.26Å; V101-I103 HydrophobicContact CG1-CG1 4.03Å; I103-W136 CarbonylContact C-O 3.53Å; I103-W136 VanDerWaalsContact CA-O 3.24Å; I103-W136 WeakPolarHBondContact CA-O 3.23Å; I103-W136 HydrophobicContact CD1-CE3 3.86Å; I103-W136 HydrophobicContact CD1-CZ3 4.14Å; I103-W136 HydrophobicContact CG1-CB 4.48Å; I103-W136 HydrophobicContact CG1-CE3 3.99Å; I103-W136 HydrophobicContact CG2-CE3 4.4Å; I103-V138 HydrophobicContact CG2-CG2 4.1Å; I103-L144 HydrophobicContact CG2-CD1 4.39Å
104F90.8Very high85.9Confident4 Ų460.8 Ų60.82%0.01831%0.308CS..EExtended strand (participates in β ladder)trans-105.2106.1171.7176.6-141.3000109.6Y83 F102 A106 Y118 K122 W136 Q137 V138Y83-F104 HydrophobicContact CD1-CB 4.38Å; Y83-F104 AromaticContact CD1-CD2 3.5Å; Y83-F104 HydrophobicContact CD1-CD2 3.5Å; Y83-F104 VanDerWaalsContact CD1-CD2 3.5Å; Y83-F104 HydrophobicContact CD1-CE2 4.18Å; Y83-F104 HydrophobicContact CD1-CG 4.22Å; Y83-F104 AromaticContact CE1-CD2 3.4Å; Y83-F104 HydrophobicContact CE1-CD2 3.4Å; Y83-F104 AromaticContact CE1-CE2 3.71Å; Y83-F104 HydrophobicContact CE1-CE2 3.71Å; Y83-F104 HydrophobicContact CE1-CG 4.13Å; F102-F104 HydrophobicContact CE1-CB 4.28Å; F104-A106 HydrophobicContact CE1-CB 4.06Å; F104-A106 HydrophobicContact CE2-CB 4.11Å; F104-A106 HydrophobicContact CZ-CB 3.77Å; F104-Y118 HydrophobicContact CE2-CD1 4.07Å; F104-Y118 HydrophobicContact CE2-CG 4.23Å; F104-K122 HydrophobicContact CD1-CD 4.43Å; F104-W136 PolarHBondContact N-O 3.12Å; F104-Q137 HydrophobicContact CD1-CG 3.99Å; F104-V138 PolarHBondContact O-N 3.44Å
105W90.1Very high86.2Confident1 Ų154.2 Ų54.20%0.00428%0.277CS..EExtended strand (participates in β ladder)trans-90.5116.8178.6176.4-109.4000110.8L76 P77 D80 C81 R82 P107 V138 G140 L141 L144L76-W105 HydrophobicContact CB-CD2 4.24Å; L76-W105 HydrophobicContact CB-CG 4.44Å; L76-W105 HydrophobicContact CB-CZ2 4.43Å; L76-W105 HydrophobicContact CD1-CD2 4.07Å; L76-W105 HydrophobicContact CD1-CE3 4.04Å; L76-W105 HydrophobicContact CD1-CG 4.36Å; L76-W105 HydrophobicContact CD2-CB 3.84Å; L76-W105 HydrophobicContact CD2-CD2 4.21Å; L76-W105 HydrophobicContact CD2-CG 3.7Å; L76-W105 HydrophobicContact CG-CD2 4.43Å; L76-W105 HydrophobicContact CG-CG 4.41Å; P77-W105 PolarHBondContact O-NE1 3.05Å; D80-W105 VanDerWaalsContact O-CD1 3.23Å; D80-W105 PolarHBondContact O-NE1 2.79Å; C81-W105 CarbonylContact C-O 3.54Å; C81-W105 WeakPolarHBondContact CA-O 3.23Å; C81-W105 WeakPolarHBondContact CB-O 3.25Å; R82-W105 PolarHBondContact N-O 2.85Å; R82-W105 WeakPolarHBondContact O-CA 3.43Å; R82-W105 WeakPolarHBondContact O-CB 3.23Å; R82-W105 PolarHBondContact O-N 3.31Å; W105-P107 HydrophobicContact CH2-CB 4.37Å; W105-P107 HydrophobicContact CZ2-CB 3.66Å; W105-P107 HydrophobicContact CZ2-CG 4.04Å; W105-V138 WeakPolarHBondContact CA-O 3.41Å; W105-V138 HydrophobicContact CE3-CB 3.99Å; W105-V138 HydrophobicContact CE3-CG1 3.98Å; W105-V138 HydrophobicContact CZ3-CB 4.27Å; W105-V138 HydrophobicContact CZ3-CG1 3.74Å; W105-G140 VanDerWaalsContact CH2-C 3.46Å; W105-G140 WeakPolarHBondContact CZ3-O 3.14Å; W105-L141 HydrophobicContact CH2-CB 4.18Å; W105-L141 HydrophobicContact CH2-CD2 3.39Å; W105-L141 HydrophobicContact CH2-CG 3.55Å; W105-L141 HydrophobicContact CZ2-CD2 3.66Å; W105-L141 HydrophobicContact CZ2-CG 3.95Å; W105-L141 HydrophobicContact CZ3-CD2 4.26Å; W105-L144 HydrophobicContact CE3-CD1 3.52Å; W105-L144 HydrophobicContact CZ3-CB 4.22Å; W105-L144 HydrophobicContact CZ3-CD1 3.69Å
106A88.4Confident86.3Confident8 Ų856.6 Ų56.67%0.06629%0.285CS..  trans-139.774.8-178.200000111.3F104 V138 N139F104-A106 HydrophobicContact CE1-CB 4.06Å; F104-A106 HydrophobicContact CE2-CB 4.11Å; F104-A106 HydrophobicContact CZ-CB 3.77Å; A106-V138 PolarHBondContact N-O 2.96Å; A106-N139 WeakPolarHBondContact O-CA 3.41Å
107P86.9Confident86.6Confident6 Ų652.9 Ų52.94%0.03927%0.27CS..  trans-67.2146.8-170.727-31.9000111.8P78 D80 W105 S109 A110 K115 N139P78-P107 VanDerWaalsContact O-CB 3.26Å; P78-P107 WeakPolarHBondContact O-CB 3.32Å; P78-P107 WeakPolarHBondContact O-CG 3.48Å; D80-P107 VanDerWaalsContact O-CD 3.32Å; D80-P107 WeakPolarHBondContact O-CD 3.42Å; D80-P107 WeakPolarHBondContact O-CG 3.42Å; W105-P107 HydrophobicContact CH2-CB 4.37Å; W105-P107 HydrophobicContact CZ2-CB 3.66Å; W105-P107 HydrophobicContact CZ2-CG 4.04Å; P107-S109 PolarHBondContact O-N 3.39Å; P107-A110 HydrophobicContact CG-CB 3.77Å; P107-A110 WeakPolarHBondContact O-CB 3.11Å; P107-A110 PolarHBondContact O-N 2.92Å; P107-K115 WeakPolarHBondContact O-CE 3.18Å; P107-K115 PolarHBondContact O-NZ 3.18Å; P107-N139 VanDerWaalsContact CA-O 3.25Å; P107-N139 WeakPolarHBondContact CA-O 3.5Å
108E83.7Confident86.8Confident169 Ų16948.3 Ų48.379%0.7925%0.25SC*.THydrogen-bonded Turntrans-57-34.8-178.9-67.1-158.599.900113.9A110 K115 N139E108-A110 VanDerWaalsContact C-N 3.27Å; E108-A110 PolarHBondContact O-N 3.48Å; E108-K115 PolarHBondContact O-NZ 3.26Å; E108-N139 PolarHBondContact N-O 3.36Å
109S84.5Confident86.8Confident92 Ų9247.5 Ų47.564%0.64326%0.255SS*.THydrogen-bonded Turntrans-69.6-15.2174.2-72.70000115.1P107P107-S109 PolarHBondContact O-N 3.39Å
110A84.5Confident86.8Confident4 Ų448.1 Ų48.13%0.03326%0.263CS..SBendtrans-69.2144.9178.900000112.5N79 C81 P107 E108 L112 K115N79-A110 WeakPolarHBondContact O-CA 3.39Å; C81-A110 VanDerWaalsContact SG-CB 3.58Å; P107-A110 HydrophobicContact CG-CB 3.77Å; P107-A110 WeakPolarHBondContact O-CB 3.11Å; P107-A110 PolarHBondContact O-N 2.92Å; E108-A110 VanDerWaalsContact C-N 3.27Å; E108-A110 PolarHBondContact O-N 3.48Å; A110-L112 PolarHBondContact O-N 3.47Å; A110-K115 HydrophobicContact CB-CG 4.43Å; A110-K115 VanDerWaalsContact O-CE 3.26Å; A110-K115 WeakPolarHBondContact O-CE 3.4Å; A110-K115 PolarHBondContact O-NZ 3.44Å
111P84.4Confident86.8Confident67 Ų6747.2 Ų47.244%0.43526%0.258SS..  trans-59.7135.9-178.119.8-29.5000111.8N79 K113 S114 K115N79-P111 VanDerWaalsContact O-CD 3.3Å; N79-P111 WeakPolarHBondContact O-CD 3.24Å; P111-K113 PolarHBondContact O-N 3.41Å; P111-S114 PolarHBondContact O-N 3.07Å; P111-K115 PolarHBondContact O-N 3.27Å
112L85.4Confident86.6Confident124 Ų12449.5 Ų49.565%0.64927%0.268SS*.Hα-helixtrans-54.6-38.6-177.5-179.163.9000112.6A110 K115 M116A110-L112 PolarHBondContact O-N 3.47Å; L112-K115 PolarHBondContact O-N 2.94Å; L112-M116 HydrophobicContact CD1-CG 4.4Å; L112-M116 HydrophobicContact CG-CG 4.5Å; L112-M116 HydrophobicContact CG-SD 4.42Å; L112-M116 WeakPolarHBondContact O-CB 3.44Å; L112-M116 WeakPolarHBondContact O-CG 3.38Å; L112-M116 PolarHBondContact O-N 3.08Å
113K83.1Confident86.3Confident169 Ų16953.9 Ų53.974%0.73529%0.291SS*.Hα-helixtrans-58.2-48.3175.2-88.7-173.7178.4-177.80111.9P111 M116 I117P111-K113 PolarHBondContact O-N 3.41Å; K113-M116 PolarHBondContact O-N 2.77Å; K113-I117 VanDerWaalsContact O-CG1 3.27Å; K113-I117 WeakPolarHBondContact O-CG1 3.36Å; K113-I117 PolarHBondContact O-N 3.49Å
114S84.7Confident86.2Confident20 Ų2055.3 Ų55.314%0.1430%0.303CS..Hα-helixtrans-61.7-49177.3-64.50000110.2P111 M116 I117 Y118P111-S114 PolarHBondContact O-N 3.07Å; S114-M116 VanDerWaalsContact C-N 3.3Å; S114-M116 PolarHBondContact O-N 3.27Å; S114-I117 PolarHBondContact O-N 2.92Å; S114-I117 VanDerWaalsContact O-N 3.14Å; S114-Y118 WeakPolarHBondContact O-CB 3.23Å; S114-Y118 VanDerWaalsContact O-CD2 3.27Å; S114-Y118 WeakPolarHBondContact O-CD2 3.49Å; S114-Y118 PolarHBondContact O-N 3.39Å
115K84.4Confident86Confident49 Ų4955.1 Ų55.121%0.21330%0.303CS..Hα-helixtrans-53.8-45.2176.2-73.9178.4-175.3163.40113.1C81 P107 E108 A110 P111 L112 A119C81-K115 WeakPolarHBondContact SG-CG 3.49Å; P107-K115 WeakPolarHBondContact O-CE 3.18Å; P107-K115 PolarHBondContact O-NZ 3.18Å; E108-K115 PolarHBondContact O-NZ 3.26Å; A110-K115 HydrophobicContact CB-CG 4.43Å; A110-K115 VanDerWaalsContact O-CE 3.26Å; A110-K115 WeakPolarHBondContact O-CE 3.4Å; A110-K115 PolarHBondContact O-NZ 3.44Å; P111-K115 PolarHBondContact O-N 3.27Å; L112-K115 PolarHBondContact O-N 2.94Å; K115-A119 WeakPolarHBondContact O-CB 3.48Å; K115-A119 PolarHBondContact O-N 3.29Å
116M86.3Confident85.7Confident122 Ų12259.7 Ų59.760%0.60132%0.322SS*.Hα-helixtrans-62.9-44.3178.8-81.3-175.1141.200112.1L112 K113 S114 S120L112-M116 HydrophobicContact CD1-CG 4.4Å; L112-M116 HydrophobicContact CG-CG 4.5Å; L112-M116 HydrophobicContact CG-SD 4.42Å; L112-M116 WeakPolarHBondContact O-CB 3.44Å; L112-M116 WeakPolarHBondContact O-CG 3.38Å; L112-M116 PolarHBondContact O-N 3.08Å; K113-M116 PolarHBondContact O-N 2.77Å; S114-M116 VanDerWaalsContact C-N 3.3Å; S114-M116 PolarHBondContact O-N 3.27Å; M116-S120 WeakPolarHBondContact O-CB 3.41Å; M116-S120 PolarHBondContact O-N 2.79Å; M116-S120 PolarHBondContact O-OG 3.49Å
117I87.1Confident85.6Confident35 Ų3568 Ų6818%0.17935%0.352CS..Hα-helixtrans-69.1-44.8-179.7-62164.6000110.1V5 L41 L45 K113 S114 S120 S121V5-I117 HydrophobicContact CG2-CG2 4.25Å; L41-I117 HydrophobicContact CD1-CB 4.27Å; L41-I117 HydrophobicContact CD1-CG2 3.63Å; L45-I117 HydrophobicContact CB-CD1 4.11Å; L45-I117 HydrophobicContact CB-CG2 4.31Å; L45-I117 HydrophobicContact CD1-CD1 3.6Å; L45-I117 HydrophobicContact CD2-CD1 4.43Å; L45-I117 HydrophobicContact CG-CD1 4.25Å; K113-I117 VanDerWaalsContact O-CG1 3.27Å; K113-I117 WeakPolarHBondContact O-CG1 3.36Å; K113-I117 PolarHBondContact O-N 3.49Å; S114-I117 PolarHBondContact O-N 2.92Å; S114-I117 VanDerWaalsContact O-N 3.14Å; I117-S120 PolarHBondContact O-N 2.72Å; I117-S121 WeakPolarHBondContact O-CB 3.24Å; I117-S121 PolarHBondContact O-N 2.72Å; I117-S121 PolarHBondContact O-OG 2.84Å
118Y87.9Confident85.5Confident10 Ų1073 Ų734%0.03937%0.373CS..Hα-helixtrans-58.5-56.1173.4-86.7-94.6000110.3C40 L41 C81 Y83 F104 S114 S120 S121 K122C40-Y118 WeakPolarHBondContact CA-OH 3.45Å; L41-Y118 HydrophobicContact CB-CE2 4.13Å; L41-Y118 HydrophobicContact CD1-CD1 4.26Å; L41-Y118 HydrophobicContact CD1-CD2 3.35Å; L41-Y118 HydrophobicContact CD1-CE1 4.21Å; L41-Y118 HydrophobicContact CD1-CE2 3.37Å; L41-Y118 HydrophobicContact CD1-CG 3.83Å; L41-Y118 HydrophobicContact CG-CD1 4.42Å; L41-Y118 HydrophobicContact CG-CD2 4.17Å; L41-Y118 HydrophobicContact CG-CE1 4Å; L41-Y118 HydrophobicContact CG-CE2 3.81Å; L41-Y118 HydrophobicContact CG-CG 4.47Å; L41-Y118 PolarHBondContact N-OH 3.23Å; C81-Y118 HydrophobicContact CB-CD1 4.08Å; C81-Y118 HydrophobicContact CB-CD2 3.56Å; C81-Y118 HydrophobicContact CB-CE1 4.36Å; C81-Y118 HydrophobicContact CB-CE2 3.79Å; C81-Y118 HydrophobicContact CB-CG 3.73Å; C81-Y118 WeakPolarHBondContact O-CE2 3.34Å; C81-Y118 PolarHBondContact O-OH 2.85Å; Y83-Y118 HydrophobicContact CD1-CD1 4.38Å; Y83-Y118 AromaticContact CD2-CD1 3.82Å; Y83-Y118 HydrophobicContact CD2-CD1 3.82Å; Y83-Y118 AromaticContact CD2-CE1 3.75Å; Y83-Y118 HydrophobicContact CD2-CE1 3.75Å; Y83-Y118 AromaticContact CE1-CD1 3.92Å; Y83-Y118 HydrophobicContact CE1-CD1 3.92Å; Y83-Y118 AromaticContact CE2-CD1 3.28Å; Y83-Y118 HydrophobicContact CE2-CD1 3.28Å; Y83-Y118 AromaticContact CE2-CE1 3.57Å; Y83-Y118 HydrophobicContact CE2-CE1 3.57Å; Y83-Y118 HydrophobicContact CE2-CG 4.35Å; Y83-Y118 HydrophobicContact CG-CD1 4.35Å; Y83-Y118 HydrophobicContact CG-CE1 4.44Å; Y83-Y118 AromaticContact CZ-CD1 3.36Å; Y83-Y118 VanDerWaalsContact OH-CA 3.25Å; Y83-Y118 WeakPolarHBondContact OH-CA 3.3Å; Y83-Y118 PolarHBondContact OH-O 3.35Å; F104-Y118 HydrophobicContact CE2-CD1 4.07Å; F104-Y118 HydrophobicContact CE2-CG 4.23Å; S114-Y118 WeakPolarHBondContact O-CB 3.23Å; S114-Y118 VanDerWaalsContact O-CD2 3.27Å; S114-Y118 WeakPolarHBondContact O-CD2 3.49Å; S114-Y118 PolarHBondContact O-N 3.39Å; Y118-S120 PolarHBondContact O-N 2.79Å; Y118-S120 VanDerWaalsContact O-N 3.07Å; Y118-S121 CarbonylContact O-C 3.56Å; Y118-S121 WeakPolarHBondContact O-CA 3.43Å; Y118-S121 PolarHBondContact O-N 2.73Å; Y118-K122 PolarHBondContact O-N 2.84Å
119A86.9Confident85.6Confident54 Ų5465.1 Ų65.145%0.44634%0.336SS..Hα-helixtrans-54.6-37.2178.500000113K115 K122K115-A119 WeakPolarHBondContact O-CB 3.48Å; K115-A119 PolarHBondContact O-N 3.29Å; A119-K122 WeakPolarHBondContact O-CB 2.84Å
120S86.8Confident85.3Confident49 Ų4967.8 Ų67.834%0.34334%0.339SS..Hα-helixtrans-76.1-24176.7-570000113.7M116 I117 Y118M116-S120 WeakPolarHBondContact O-CB 3.41Å; M116-S120 PolarHBondContact O-N 2.79Å; M116-S120 PolarHBondContact O-OG 3.49Å; I117-S120 PolarHBondContact O-N 2.72Å; Y118-S120 PolarHBondContact O-N 2.79Å; Y118-S120 VanDerWaalsContact O-N 3.07Å
121S87.3Confident84.9Confident1 Ų170.2 Ų70.21%0.00736%0.364CS..Hα-helixtrans-91.3-15177.7-53.10000112.9V5 I117 Y118 D123 A124 I125V5-S121 VanDerWaalsContact CB-OG 3.25Å; V5-S121 WeakPolarHBondContact CB-OG 3.43Å; V5-S121 WeakPolarHBondContact CG2-OG 3.27Å; I117-S121 WeakPolarHBondContact O-CB 3.24Å; I117-S121 PolarHBondContact O-N 2.72Å; I117-S121 PolarHBondContact O-OG 2.84Å; Y118-S121 CarbonylContact O-C 3.56Å; Y118-S121 WeakPolarHBondContact O-CA 3.43Å; Y118-S121 PolarHBondContact O-N 2.73Å; S121-D123 PolarHBondContact O-N 3.48Å; S121-A124 WeakPolarHBondContact O-CB 3.36Å; S121-A124 PolarHBondContact O-N 2.83Å; S121-I125 PolarHBondContact O-N 2.93Å; S121-I125 VanDerWaalsContact O-N 3.14Å
122K86Confident84.8Confident47 Ų4768.8 Ų68.820%0.20435%0.352CS..Hα-helixtrans-52.3-41.6174.9176-176.2159.6175.70111.6Y83 F102 F104 Y118 A119 I125 K126 E135Y83-K122 HydrophobicContact CE1-CB 4.41Å; Y83-K122 PolarHBondContact OH-N 2.88Å; F102-K122 HydrophobicContact CE1-CG 4.37Å; F104-K122 HydrophobicContact CD1-CD 4.43Å; Y118-K122 PolarHBondContact O-N 2.84Å; A119-K122 WeakPolarHBondContact O-CB 2.84Å; K122-I125 VanDerWaalsContact O-CG2 3.23Å; K122-I125 WeakPolarHBondContact O-CG2 3.33Å; K122-K126 WeakPolarHBondContact O-CB 3.17Å; K122-K126 PolarHBondContact O-N 2.9Å; K122-E135 WeakPolarHBondContact CE-OE2 3.43Å; K122-E135 IonicContact NZ-OE2 2.7Å; K122-E135 PolarHBondContact NZ-OE2 3.29Å
123D84.4Confident84.5Confident99 Ų9971 Ų7153%0.52936%0.357SS..Hα-helixtrans-64.3-41.4178.8-167.5-96.8000111.6S121 I125 K126 R127S121-D123 PolarHBondContact O-N 3.48Å; D123-I125 PolarHBondContact O-N 3.25Å; D123-K126 PolarHBondContact O-N 3.23Å; D123-R127 WeakPolarHBondContact O-CB 3.31Å; D123-R127 VanDerWaalsContact O-CG 3.24Å; D123-R127 WeakPolarHBondContact O-CG 3.25Å; D123-R127 PolarHBondContact O-N 3.45Å; D123-R127 VanDerWaalsContact OD1-CD 3.3Å; D123-R127 WeakPolarHBondContact OD1-CD 3.26Å
124A86.3Confident84.6Confident31 Ų3164.6 Ų64.626%0.25633%0.33SS..Hα-helixtrans-63.8-43.2179.300000112.4S121 K128S121-A124 WeakPolarHBondContact O-CB 3.36Å; S121-A124 PolarHBondContact O-N 2.83Å; A124-K128 PolarHBondContact O-N 2.91Å
125I86.1Confident84.7Confident0 Ų067.3 Ų67.30%034%0.34CS..Hα-helixtrans-70.7-41.9176.4-164.2171.3000111.8V7 V11 I48 Y83 F102 S121 K122 D123 R127 K128 F129V7-I125 HydrophobicContact CG1-CG1 4.48Å; V7-I125 HydrophobicContact CG2-CB 4.16Å; V7-I125 HydrophobicContact CG2-CG1 4.39Å; V11-I125 HydrophobicContact CG1-CD1 4.24Å; I48-I125 HydrophobicContact CD1-CB 3.72Å; I48-I125 HydrophobicContact CD1-CD1 4.08Å; I48-I125 HydrophobicContact CD1-CG1 4.28Å; I48-I125 HydrophobicContact CD1-CG2 4.35Å; I48-I125 HydrophobicContact CG2-CD1 3.87Å; Y83-I125 HydrophobicContact CD2-CD1 4.23Å; Y83-I125 HydrophobicContact CG-CD1 4.41Å; F102-I125 HydrophobicContact CE2-CD1 4.11Å; F102-I125 HydrophobicContact CE2-CG2 4.15Å; F102-I125 HydrophobicContact CZ-CG2 3.69Å; S121-I125 PolarHBondContact O-N 2.93Å; S121-I125 VanDerWaalsContact O-N 3.14Å; K122-I125 VanDerWaalsContact O-CG2 3.23Å; K122-I125 WeakPolarHBondContact O-CG2 3.33Å; D123-I125 PolarHBondContact O-N 3.25Å; I125-R127 VanDerWaalsContact C-N 3.3Å; I125-R127 PolarHBondContact O-N 3.42Å; I125-K128 CarbonylContact O-C 3.55Å; I125-K128 WeakPolarHBondContact O-CA 3.41Å; I125-K128 WeakPolarHBondContact O-CB 3.06Å; I125-K128 PolarHBondContact O-N 2.85Å; I125-F129 HydrophobicContact CD1-CD2 4.38Å; I125-F129 HydrophobicContact CD1-CE1 4.49Å; I125-F129 HydrophobicContact CD1-CE2 3.59Å; I125-F129 HydrophobicContact CD1-CZ 3.67Å; I125-F129 HydrophobicContact CG1-CD1 4.38Å; I125-F129 HydrophobicContact CG1-CD2 3.91Å; I125-F129 HydrophobicContact CG1-CE1 4.07Å; I125-F129 HydrophobicContact CG1-CE2 3.57Å; I125-F129 HydrophobicContact CG1-CG 4.31Å; I125-F129 HydrophobicContact CG1-CZ 3.67Å; I125-F129 WeakPolarHBondContact O-CG 3.3Å; I125-F129 PolarHBondContact O-N 2.96Å
126K84.1Confident84.9Confident97 Ų9765.2 Ų65.242%0.42233%0.331SS..Hα-helixtrans-60.9-39.4177.8-173.5176175.8177.90111.8K122 D123 K128 F129 E135K122-K126 WeakPolarHBondContact O-CB 3.17Å; K122-K126 PolarHBondContact O-N 2.9Å; D123-K126 PolarHBondContact O-N 3.23Å; K126-K128 PolarHBondContact O-N 2.79Å; K126-F129 CarbonylContact O-C 3.56Å; K126-F129 PolarHBondContact O-N 3.01Å; K126-E135 IonicContact NZ-OE1 3.8Å; K126-E135 PolarHBondContact NZ-OE1 3.28Å
127R85.9Confident84.9Confident183 Ų18364.2 Ų64.269%0.69133%0.325SS*.Hα-helixtrans-65.1-25.1174.7-73.4-179.780.7-177.27.8113.4D123 I125 E130D123-R127 WeakPolarHBondContact O-CB 3.31Å; D123-R127 VanDerWaalsContact O-CG 3.24Å; D123-R127 WeakPolarHBondContact O-CG 3.25Å; D123-R127 PolarHBondContact O-N 3.45Å; D123-R127 VanDerWaalsContact OD1-CD 3.3Å; D123-R127 WeakPolarHBondContact OD1-CD 3.26Å; I125-R127 VanDerWaalsContact C-N 3.3Å; I125-R127 PolarHBondContact O-N 3.42Å; R127-E130 WeakPolarHBondContact O-CG 3.49Å
128K86.3Confident84.9Confident110 Ų11062.6 Ų62.648%0.47832%0.316SS..Hα-helixtrans-85.1-30.5172.3-71.4-64.5-168.8168.50112.4V7 I12 A124 I125 K126 E130V7-K128 HydrophobicContact CB-CB 4.5Å; V7-K128 HydrophobicContact CB-CG 3.96Å; V7-K128 HydrophobicContact CG1-CB 4.45Å; V7-K128 HydrophobicContact CG1-CG 4.4Å; V7-K128 HydrophobicContact CG2-CB 4.25Å; V7-K128 HydrophobicContact CG2-CG 3.75Å; I12-K128 HydrophobicContact CD1-CB 4.46Å; I12-K128 HydrophobicContact CD1-CD 3.72Å; I12-K128 HydrophobicContact CD1-CG 4.12Å; I12-K128 HydrophobicContact CG1-CB 4.19Å; I12-K128 HydrophobicContact CG1-CD 4.35Å; I12-K128 HydrophobicContact CG1-CG 4.36Å; A124-K128 PolarHBondContact O-N 2.91Å; I125-K128 CarbonylContact O-C 3.55Å; I125-K128 WeakPolarHBondContact O-CA 3.41Å; I125-K128 WeakPolarHBondContact O-CB 3.06Å; I125-K128 PolarHBondContact O-N 2.85Å; K126-K128 PolarHBondContact O-N 2.79Å; K128-E130 PolarHBondContact O-N 2.81Å
129F85.1Confident84.7Confident4 Ų465.9 Ų65.92%0.01834%0.335CS..SBendtrans-83.755.3176.1-68.3-6.1000112V11 F15 F39 L85 F102 I125 K126 G131 I132V11-F129 HydrophobicContact CG1-CE1 3.7Å; V11-F129 HydrophobicContact CG1-CZ 3.56Å; F15-F129 HydrophobicContact CB-CD1 3.67Å; F15-F129 HydrophobicContact CB-CE1 3.38Å; F15-F129 HydrophobicContact CB-CZ 4.06Å; F15-F129 HydrophobicContact CD1-CB 4.31Å; F15-F129 AromaticContact CD1-CD1 3.59Å; F15-F129 HydrophobicContact CD1-CD1 3.59Å; F15-F129 HydrophobicContact CD1-CE1 4.23Å; F15-F129 HydrophobicContact CD1-CG 4.19Å; F15-F129 HydrophobicContact CD2-CB 4.4Å; F15-F129 AromaticContact CD2-CD1 3.91Å; F15-F129 HydrophobicContact CD2-CD1 3.91Å; F15-F129 HydrophobicContact CD2-CD2 4.41Å; F15-F129 HydrophobicContact CD2-CE1 4.23Å; F15-F129 HydrophobicContact CD2-CG 4.01Å; F15-F129 VanDerWaalsContact CE1-CA 3.49Å; F15-F129 HydrophobicContact CE1-CB 4.05Å; F15-F129 HydrophobicContact CE1-CD1 4.22Å; F15-F129 HydrophobicContact CE1-CG 4.41Å; F15-F129 HydrophobicContact CE2-CB 4.16Å; F15-F129 HydrophobicContact CE2-CD1 4.49Å; F15-F129 HydrophobicContact CE2-CG 4.25Å; F15-F129 HydrophobicContact CG-CB 4.46Å; F15-F129 AromaticContact CG-CD1 3.4Å; F15-F129 HydrophobicContact CG-CD1 3.4Å; F15-F129 VanDerWaalsContact CG-CD1 3.4Å; F15-F129 AromaticContact CG-CE1 3.67Å; F15-F129 HydrophobicContact CG-CE1 3.67Å; F15-F129 AromaticContact CG-CG 3.96Å; F15-F129 HydrophobicContact CG-CG 3.96Å; F15-F129 HydrophobicContact CG-CZ 4.4Å; F15-F129 HydrophobicContact CZ-CB 3.95Å; F15-F129 HydrophobicContact CZ-CG 4.42Å; F39-F129 HydrophobicContact CE2-CE2 4.48Å; F39-F129 HydrophobicContact CE2-CZ 4.3Å; F39-F129 HydrophobicContact CZ-CZ 4.22Å; L85-F129 HydrophobicContact CD1-CD2 4.22Å; L85-F129 HydrophobicContact CD1-CE1 4.34Å; L85-F129 HydrophobicContact CD1-CE2 3.54Å; L85-F129 HydrophobicContact CD1-CZ 3.6Å; L85-F129 HydrophobicContact CD2-CD2 4.19Å; L85-F129 HydrophobicContact CD2-CE2 4.04Å; L85-F129 HydrophobicContact CG-CD2 4.49Å; L85-F129 HydrophobicContact CG-CE2 3.85Å; L85-F129 HydrophobicContact CG-CZ 4.36Å; F102-F129 AromaticContact CD2-CD2 3.84Å; F102-F129 HydrophobicContact CD2-CD2 3.84Å; F102-F129 AromaticContact CD2-CE2 3.83Å; F102-F129 HydrophobicContact CD2-CE2 3.83Å; F102-F129 HydrophobicContact CE2-CD2 4.06Å; F102-F129 AromaticContact CE2-CE2 3.82Å; F102-F129 HydrophobicContact CE2-CE2 3.82Å; I125-F129 HydrophobicContact CD1-CD2 4.38Å; I125-F129 HydrophobicContact CD1-CE1 4.49Å; I125-F129 HydrophobicContact CD1-CE2 3.59Å; I125-F129 HydrophobicContact CD1-CZ 3.67Å; I125-F129 HydrophobicContact CG1-CD1 4.38Å; I125-F129 HydrophobicContact CG1-CD2 3.91Å; I125-F129 HydrophobicContact CG1-CE1 4.07Å; I125-F129 HydrophobicContact CG1-CE2 3.57Å; I125-F129 HydrophobicContact CG1-CG 4.31Å; I125-F129 HydrophobicContact CG1-CZ 3.67Å; I125-F129 WeakPolarHBondContact O-CG 3.3Å; I125-F129 PolarHBondContact O-N 2.96Å; K126-F129 CarbonylContact O-C 3.56Å; K126-F129 PolarHBondContact O-N 3.01Å; F129-G131 PolarHBondContact O-N 3.46Å; F129-I132 HydrophobicContact CB-CD1 3.53Å; F129-I132 HydrophobicContact CB-CG1 3.95Å; F129-I132 HydrophobicContact CD2-CD1 3.55Å; F129-I132 HydrophobicContact CG-CD1 3.86Å; F129-I132 PolarHBondContact O-N 2.86Å
130E78.6Confident84.3Confident148 Ų14864.3 Ų64.369%0.69232%0.324SS*.THydrogen-bonded Turntrans-63.3122.2178.6-74.3-170.776.800111K19 R127 K128K19-E130 PolarHBondContact NZ-O 3Å; R127-E130 WeakPolarHBondContact O-CG 3.49Å; K128-E130 PolarHBondContact O-N 2.81Å
131G75.9Confident83.8Confident55 Ų5565.1 Ų65.157%0.56732%0.324SS*.THydrogen-bonded Turntrans101.62.3178.600000115.6F129 K133F129-G131 PolarHBondContact O-N 3.46Å; G131-K133 PolarHBondContact O-N 2.98Å
132I83Confident83.3Confident37 Ų3772.7 Ų72.719%0.1936%0.359CS..  trans-68.5123.4164.7-63.9-171.6000109.2F15 L85 F102 F129 H134F15-I132 HydrophobicContact CD2-CD1 4.12Å; F15-I132 HydrophobicContact CD2-CG1 4.41Å; F15-I132 HydrophobicContact CE2-CD1 3.44Å; F15-I132 VanDerWaalsContact CE2-CD1 3.44Å; F15-I132 HydrophobicContact CE2-CG1 3.31Å; F15-I132 HydrophobicContact CZ-CD1 4.04Å; F15-I132 HydrophobicContact CZ-CG1 3.52Å; L85-I132 HydrophobicContact CD2-CD1 3.39Å; F102-I132 HydrophobicContact CB-CD1 3.84Å; F102-I132 HydrophobicContact CB-CG2 3.93Å; F129-I132 HydrophobicContact CB-CD1 3.53Å; F129-I132 HydrophobicContact CB-CG1 3.95Å; F129-I132 HydrophobicContact CD2-CD1 3.55Å; F129-I132 HydrophobicContact CG-CD1 3.86Å; F129-I132 PolarHBondContact O-N 2.86Å; I132-H134 WeakPolarHBondContact CG2-O 3.38Å
133K78.3Confident82.7Confident172 Ų17273.3 Ų73.375%0.74837%0.365SS*.  trans-92.7-31.3177.8-65.1178.7-179.7174.80112.6G131G131-K133 PolarHBondContact O-N 2.98Å
134H85.5Confident82.1Confident34 Ų3468.6 Ų68.616%0.15734%0.339CS..EExtended strand (participates in β ladder)trans-112.3119.3-172.7-61-83000110.3D99 V101 F102 I132 K153 L154D99-H134 IonicContact OD1-CD2 3.66Å; D99-H134 IonicContact OD1-NE2 3.92Å; V101-H134 WeakPolarHBondContact CA-O 3.36Å; V101-H134 HydrophobicContact CB-CB 4.39Å; V101-H134 HydrophobicContact CG1-CB 4.23Å; V101-H134 HydrophobicContact CG2-CB 4Å; F102-H134 PolarHBondContact N-O 2.91Å; I132-H134 WeakPolarHBondContact CG2-O 3.38Å; H134-K153 PolarHBondContact ND1-O 2.83Å; H134-L154 PolarHBondContact CE1-O 3.32Å; H134-L154 VanDerWaalsContact CE1-O 3.25Å
135E87.2Confident81.4Confident76 Ų7674.3 Ų74.336%0.35536%0.358SS..EExtended strand (participates in β ladder)trans-115.6138.2168.668179.593.100109.8F102 K122 K126F102-E135 CarbonylContact O-C 3.56Å; F102-E135 WeakPolarHBondContact O-CA 3.33Å; K122-E135 WeakPolarHBondContact CE-OE2 3.43Å; K122-E135 IonicContact NZ-OE2 2.7Å; K122-E135 PolarHBondContact NZ-OE2 3.29Å; K126-E135 IonicContact NZ-OE1 3.8Å; K126-E135 PolarHBondContact NZ-OE1 3.28Å
136W87.6Confident80.9Confident5 Ų579.7 Ų79.72%0.01938%0.383CS..EExtended strand (participates in β ladder)trans-132116.6178.5-172.422000109.2Y69 V101 F102 I103 F104 V138 D143 L144 T149 L150 K153Y69-W136 HydrophobicContact CE2-CH2 4.3Å; Y69-W136 HydrophobicContact CE2-CZ3 4.13Å; Y69-W136 VanDerWaalsContact OH-CH2 3.3Å; Y69-W136 WeakPolarHBondContact OH-CH2 3.42Å; V101-W136 HydrophobicContact CG1-CB 3.94Å; F102-W136 PolarHBondContact O-N 3.38Å; I103-W136 CarbonylContact C-O 3.53Å; I103-W136 VanDerWaalsContact CA-O 3.24Å; I103-W136 WeakPolarHBondContact CA-O 3.23Å; I103-W136 HydrophobicContact CD1-CE3 3.86Å; I103-W136 HydrophobicContact CD1-CZ3 4.14Å; I103-W136 HydrophobicContact CG1-CB 4.48Å; I103-W136 HydrophobicContact CG1-CE3 3.99Å; I103-W136 HydrophobicContact CG2-CE3 4.4Å; F104-W136 PolarHBondContact N-O 3.12Å; W136-V138 HydrophobicContact CD2-CG2 3.56Å; W136-V138 HydrophobicContact CE3-CG2 4.07Å; W136-V138 HydrophobicContact CG-CG2 3.9Å; W136-V138 HydrophobicContact CH2-CG2 4.16Å; W136-V138 HydrophobicContact CZ2-CG2 3.68Å; W136-V138 HydrophobicContact CZ3-CG2 4.34Å; W136-D143 WeakPolarHBondContact CZ2-O 3.35Å; W136-D143 WeakPolarHBondContact CZ2-OD1 3.46Å; W136-D143 PolarHBondContact NE1-OD1 3.34Å; W136-L144 HydrophobicContact CH2-CG 4.08Å; W136-L144 HydrophobicContact CZ3-CG 4.35Å; W136-T149 HydrophobicContact CZ2-CG2 3.71Å; W136-L150 HydrophobicContact CD2-CD1 4.45Å; W136-L150 HydrophobicContact CE3-CB 4.24Å; W136-L150 HydrophobicContact CE3-CD1 3.62Å; W136-L150 HydrophobicContact CE3-CG 4.47Å; W136-L150 HydrophobicContact CH2-CB 4.02Å; W136-L150 HydrophobicContact CZ3-CB 3.8Å; W136-L150 HydrophobicContact CZ3-CD1 3.86Å; W136-L150 HydrophobicContact CZ3-CG 4.26Å; W136-K153 HydrophobicContact CB-CG 4.28Å; W136-K153 HydrophobicContact CG-CG 4.05Å
137Q87.1Confident80.6Confident102 Ų10277.3 Ų77.348%0.47737%0.372SS..EExtended strand (participates in β ladder)trans-97.2129.9173.7174.917351.500108.5F104 N139F104-Q137 HydrophobicContact CD1-CG 3.99Å; Q137-N139 WeakPolarHBondContact CG-OD1 3.23Å
138V86Confident80.2Confident0 Ų076.3 Ų76.30%037%0.368CS..EExtended strand (participates in β ladder)trans-130.7125.3-177.2-167.50000110.2I103 F104 W105 A106 W136 G140 D143 L144I103-V138 HydrophobicContact CG2-CG2 4.1Å; F104-V138 PolarHBondContact O-N 3.44Å; W105-V138 WeakPolarHBondContact CA-O 3.41Å; W105-V138 HydrophobicContact CE3-CB 3.99Å; W105-V138 HydrophobicContact CE3-CG1 3.98Å; W105-V138 HydrophobicContact CZ3-CB 4.27Å; W105-V138 HydrophobicContact CZ3-CG1 3.74Å; A106-V138 PolarHBondContact N-O 2.96Å; W136-V138 HydrophobicContact CD2-CG2 3.56Å; W136-V138 HydrophobicContact CE3-CG2 4.07Å; W136-V138 HydrophobicContact CG-CG2 3.9Å; W136-V138 HydrophobicContact CH2-CG2 4.16Å; W136-V138 HydrophobicContact CZ2-CG2 3.68Å; W136-V138 HydrophobicContact CZ3-CG2 4.34Å; V138-G140 VanDerWaalsContact CG1-O 3.24Å; V138-G140 WeakPolarHBondContact CG1-O 3.5Å; V138-D143 HydrophobicContact CG1-CB 3.87Å; V138-L144 HydrophobicContact CB-CD1 3.89Å; V138-L144 HydrophobicContact CG1-CB 3.87Å; V138-L144 HydrophobicContact CG1-CD1 3.77Å; V138-L144 HydrophobicContact CG1-CG 4.25Å; V138-L144 HydrophobicContact CG2-CD1 3.97Å
139N83.9Confident80Confident80 Ų8072.1 Ų72.143%0.42835%0.352SS..  trans-110.4-2.9-174.3-59.73.7000112.8A106 P107 E108 Q137A106-N139 WeakPolarHBondContact O-CA 3.41Å; P107-N139 VanDerWaalsContact CA-O 3.25Å; P107-N139 WeakPolarHBondContact CA-O 3.5Å; E108-N139 PolarHBondContact N-O 3.36Å; Q137-N139 WeakPolarHBondContact CG-OD1 3.23Å
140G79.9Confident79.8Confident21 Ų2172 Ų7222%0.21635%0.351CS..SBendtrans-154.5150.3-17700000111.9W105 V138 E142 D143 L144W105-G140 VanDerWaalsContact CH2-C 3.46Å; W105-G140 WeakPolarHBondContact CZ3-O 3.14Å; V138-G140 VanDerWaalsContact CG1-O 3.24Å; V138-G140 WeakPolarHBondContact CG1-O 3.5Å; G140-E142 PolarHBondContact O-N 3.25Å; G140-D143 PolarHBondContact O-N 3.37Å; G140-L144 PolarHBondContact O-N 3.23Å
141L75.6Confident80.1Confident65 Ų6565 Ų6534%0.3432%0.319SS..THydrogen-bonded Turntrans-67.6-21.6-177.7-71.9169.1000111.2V73 P78 W105 L144 K145V73-L141 HydrophobicContact CG1-CD2 3.97Å; P78-L141 HydrophobicContact CB-CD1 4.46Å; W105-L141 HydrophobicContact CH2-CB 4.18Å; W105-L141 HydrophobicContact CH2-CD2 3.39Å; W105-L141 HydrophobicContact CH2-CG 3.55Å; W105-L141 HydrophobicContact CZ2-CD2 3.66Å; W105-L141 HydrophobicContact CZ2-CG 3.95Å; W105-L141 HydrophobicContact CZ3-CD2 4.26Å; L141-L144 CarbonylContact O-C 3.58Å; L141-L144 PolarHBondContact O-N 2.93Å; L141-K145 WeakPolarHBondContact O-CG 3.43Å; L141-K145 PolarHBondContact O-N 3.04Å
142E75.9Confident80.5Confident161 Ų16168.2 Ų68.275%0.75232%0.319SS*.THydrogen-bonded Turntrans-66-52.4179.2-12.5-17393.400110.2G140 L144 K145 E146G140-E142 PolarHBondContact O-N 3.25Å; E142-L144 PolarHBondContact O-N 3.15Å; E142-K145 PolarHBondContact O-N 3.19Å; E142-E146 PolarHBondContact O-N 2.8Å
143D73.6Confident80.4Confident60 Ų6071.9 Ų71.932%0.32133%0.334SS..THydrogen-bonded Turntrans-61.3-33.6176.1-170.6-95.3000111.4W136 V138 G140W136-D143 WeakPolarHBondContact CZ2-O 3.35Å; W136-D143 WeakPolarHBondContact CZ2-OD1 3.46Å; W136-D143 PolarHBondContact NE1-OD1 3.34Å; V138-D143 HydrophobicContact CG1-CB 3.87Å; G140-D143 PolarHBondContact O-N 3.37Å
144L72.4Confident80.5Confident0 Ų064.1 Ų64.10%030%0.3CS..THydrogen-bonded Turntrans-80.3-12175.8-140.4138.3000114.3Y69 F72 V73 L76 I103 W105 W136 V138 G140 L141 E142Y69-L144 WeakPolarHBondContact CE1-O 3.37Å; Y69-L144 PolarHBondContact OH-O 3.01Å; F72-L144 HydrophobicContact CD1-CD2 3.74Å; F72-L144 HydrophobicContact CE1-CD1 4.26Å; F72-L144 HydrophobicContact CE1-CD2 3.77Å; V73-L144 HydrophobicContact CB-CD2 3.99Å; V73-L144 HydrophobicContact CG1-CD2 4.34Å; V73-L144 HydrophobicContact CG2-CD2 3.23Å; V73-L144 HydrophobicContact CG2-CG 4.46Å; V73-L144 WeakPolarHBondContact CG2-O 3.47Å; L76-L144 HydrophobicContact CD1-CD1 3.37Å; L76-L144 HydrophobicContact CD1-CD2 3.72Å; L76-L144 HydrophobicContact CD1-CG 4.22Å; I103-L144 HydrophobicContact CG2-CD1 4.39Å; W105-L144 HydrophobicContact CE3-CD1 3.52Å; W105-L144 HydrophobicContact CZ3-CB 4.22Å; W105-L144 HydrophobicContact CZ3-CD1 3.69Å; W136-L144 HydrophobicContact CH2-CG 4.08Å; W136-L144 HydrophobicContact CZ3-CG 4.35Å; V138-L144 HydrophobicContact CB-CD1 3.89Å; V138-L144 HydrophobicContact CG1-CB 3.87Å; V138-L144 HydrophobicContact CG1-CD1 3.77Å; V138-L144 HydrophobicContact CG1-CG 4.25Å; V138-L144 HydrophobicContact CG2-CD1 3.97Å; G140-L144 PolarHBondContact O-N 3.23Å; L141-L144 CarbonylContact O-C 3.58Å; L141-L144 PolarHBondContact O-N 2.93Å; E142-L144 PolarHBondContact O-N 3.15Å
145K70.7Confident80Confident150 Ų15064.3 Ų64.365%0.65231%0.311SS*.THydrogen-bonded Turntrans-86-25.7172.8-86.6-179.4178.1-177.10111.4V73 L141 E142 R147V73-K145 HydrophobicContact CG1-CG 4.35Å; L141-K145 WeakPolarHBondContact O-CG 3.43Å; L141-K145 PolarHBondContact O-N 3.04Å; E142-K145 PolarHBondContact O-N 3.19Å; K145-R147 PolarHBondContact O-N 3.35Å
146E76.9Confident79.6Confident113 Ų11361.8 Ų61.853%0.52831%0.306SS..  trans-76.796.7176.7-78.3-174.26400110.9Y69 E142 R148 T149Y69-E146 PolarHBondContact OH-O 3.24Å; E142-E146 PolarHBondContact O-N 2.8Å; E146-R148 PolarHBondContact O-N 3.07Å; E146-T149 WeakPolarHBondContact CB-OG1 3.3Å; E146-T149 WeakPolarHBondContact O-CB 3.42Å; E146-T149 PolarHBondContact O-N 3.43Å; E146-T149 PolarHBondContact O-OG1 3.31Å
147R76.6Confident78.8Confident47 Ų4767.5 Ų67.518%0.17735%0.347CS..Hα-helixtrans-51.2-28.1169.9-60.9178.4-172-154.71.1111.7D67 Y69 E70 K145 L150 A151 T165 L167D67-R147 IonicContact OD1-CZ 3.53Å; D67-R147 IonicContact OD1-NH1 3.46Å; D67-R147 PolarHBondContact OD1-NH1 2.97Å; D67-R147 IonicContact OD1-NH2 2.72Å; D67-R147 PolarHBondContact OD1-NH2 3.32Å; Y69-R147 HydrophobicContact CD1-CG 3.8Å; Y69-R147 HydrophobicContact CE1-CG 3.7Å; Y69-R147 HydrophobicContact CG-CG 4.48Å; E70-R147 IonicContact OE2-NH2 3.39Å; E70-R147 PolarHBondContact OE2-NH2 3.19Å; K145-R147 PolarHBondContact O-N 3.35Å; R147-L150 PolarHBondContact O-N 2.82Å; R147-A151 PolarHBondContact O-N 3.42Å; R147-T165 VanDerWaalsContact NH1-CG2 3.27Å; R147-T165 PolarHBondContact NH1-OG1 3.19Å; R147-L167 HydrophobicContact CB-CD2 3.78Å; R147-L167 WeakPolarHBondContact O-CD2 3.41Å
148R78.4Confident78.4Confident163 Ų16365.3 Ų65.362%0.61535%0.346SS*.Hα-helixtrans-59.7-42.7174.1-168.4174.6-178.1168.81.5112.9E146 L150 A151 E152E146-R148 PolarHBondContact O-N 3.07Å; R148-L150 VanDerWaalsContact C-N 3.32Å; R148-L150 PolarHBondContact O-N 2.86Å; R148-A151 CarbonylContact O-C 3.51Å; R148-A151 WeakPolarHBondContact O-CB 3.31Å; R148-A151 PolarHBondContact O-N 2.89Å; R148-A151 VanDerWaalsContact O-N 3.14Å; R148-E152 WeakPolarHBondContact O-CG 3.4Å; R148-E152 PolarHBondContact O-N 2.82Å
149T82.1Confident78.2Confident22 Ų2265.9 Ų65.914%0.13535%0.349CS..Hα-helixtrans-63.8-40.9179.7-47.70000111.3W136 E146 E152 K153W136-T149 HydrophobicContact CZ2-CG2 3.71Å; E146-T149 WeakPolarHBondContact CB-OG1 3.3Å; E146-T149 WeakPolarHBondContact O-CB 3.42Å; E146-T149 PolarHBondContact O-N 3.43Å; E146-T149 PolarHBondContact O-OG1 3.31Å; T149-E152 PolarHBondContact O-N 3.5Å; T149-K153 PolarHBondContact O-N 3.45Å; T149-K153 VanDerWaalsContact O-N 3.12Å
150L81.7Confident78.1Confident0 Ų065.3 Ų65.30%035%0.348CS..Hα-helixtrans-63.4-44.8173.3179.262.9000111Y69 Y86 A88 V101 W136 R147 R148 E152 K153 L154 L162Y69-L150 HydrophobicContact CD2-CD2 4.03Å; Y69-L150 HydrophobicContact CE2-CB 4.32Å; Y69-L150 HydrophobicContact CE2-CD2 3.72Å; Y86-L150 HydrophobicContact CD1-CD2 4.33Å; Y86-L150 HydrophobicContact CE1-CD2 4.12Å; A88-L150 HydrophobicContact CB-CD2 4.3Å; V101-L150 HydrophobicContact CB-CD1 4.44Å; V101-L150 HydrophobicContact CG1-CD1 4.13Å; V101-L150 HydrophobicContact CG2-CD1 4.11Å; W136-L150 HydrophobicContact CD2-CD1 4.45Å; W136-L150 HydrophobicContact CE3-CB 4.24Å; W136-L150 HydrophobicContact CE3-CD1 3.62Å; W136-L150 HydrophobicContact CE3-CG 4.47Å; W136-L150 HydrophobicContact CH2-CB 4.02Å; W136-L150 HydrophobicContact CZ3-CB 3.8Å; W136-L150 HydrophobicContact CZ3-CD1 3.86Å; W136-L150 HydrophobicContact CZ3-CG 4.26Å; R147-L150 PolarHBondContact O-N 2.82Å; R148-L150 VanDerWaalsContact C-N 3.32Å; R148-L150 PolarHBondContact O-N 2.86Å; L150-E152 VanDerWaalsContact C-N 3.31Å; L150-E152 PolarHBondContact O-N 3.24Å; L150-K153 PolarHBondContact O-N 2.89Å; L150-K153 VanDerWaalsContact O-N 3.15Å; L150-L154 HydrophobicContact CD1-CD1 4.12Å; L150-L154 HydrophobicContact CD1-CG 4.43Å; L150-L154 HydrophobicContact CG-CD1 3.87Å; L150-L154 WeakPolarHBondContact O-CG 3.44Å; L150-L154 PolarHBondContact O-N 3.42Å; L150-L162 HydrophobicContact CB-CD1 4.12Å; L150-L162 HydrophobicContact CD2-CD1 3.69Å; L150-L162 HydrophobicContact CD2-CD2 3.92Å; L150-L162 HydrophobicContact CD2-CG 4.37Å; L150-L162 HydrophobicContact CG-CD1 3.76Å
151A83.5Confident78.2Confident3 Ų365.7 Ų65.73%0.02535%0.347CS..Hα-helixtrans-61.1-40.1176.300000112.2R147 R148 K153 L154 G155 G156 I159 L162 L167R147-A151 PolarHBondContact O-N 3.42Å; R148-A151 CarbonylContact O-C 3.51Å; R148-A151 WeakPolarHBondContact O-CB 3.31Å; R148-A151 PolarHBondContact O-N 2.89Å; R148-A151 VanDerWaalsContact O-N 3.14Å; A151-K153 VanDerWaalsContact C-N 3.27Å; A151-K153 PolarHBondContact O-N 2.8Å; A151-L154 PolarHBondContact O-N 2.78Å; A151-L154 VanDerWaalsContact O-N 3.15Å; A151-G155 PolarHBondContact O-N 2.91Å; A151-G156 PolarHBondContact O-N 3.1Å; A151-I159 HydrophobicContact CB-CB 4.3Å; A151-I159 HydrophobicContact CB-CD1 4.1Å; A151-I159 HydrophobicContact CB-CG2 4.39Å; A151-I159 VanDerWaalsContact O-CD1 3.23Å; A151-I159 WeakPolarHBondContact O-CD1 3.48Å; A151-L162 HydrophobicContact CB-CD1 4.11Å; A151-L167 HydrophobicContact CB-CD1 3.28Å; A151-L167 HydrophobicContact CB-CD2 3.76Å; A151-L167 HydrophobicContact CB-CG 4.17Å
152E83.8Confident78.6Confident121 Ų12162.6 Ų62.657%0.56533%0.33SS*.Hα-helixtrans-60.5-37.2175-74.8-162.698.600112.6R148 T149 L150 G156R148-E152 WeakPolarHBondContact O-CG 3.4Å; R148-E152 PolarHBondContact O-N 2.82Å; T149-E152 PolarHBondContact O-N 3.5Å; L150-E152 VanDerWaalsContact C-N 3.31Å; L150-E152 PolarHBondContact O-N 3.24Å; E152-G156 PolarHBondContact O-N 2.75Å
153K82.3Confident78.7Confident114 Ų11456.7 Ų56.750%0.49630%0.303SS..Hα-helixtrans-72.3-29.2174.6-74.4-46.8-168.8-164.30115H134 W136 T149 L150 A151H134-K153 PolarHBondContact ND1-O 2.83Å; W136-K153 HydrophobicContact CB-CG 4.28Å; W136-K153 HydrophobicContact CG-CG 4.05Å; T149-K153 PolarHBondContact O-N 3.45Å; T149-K153 VanDerWaalsContact O-N 3.12Å; L150-K153 PolarHBondContact O-N 2.89Å; L150-K153 VanDerWaalsContact O-N 3.15Å; A151-K153 VanDerWaalsContact C-N 3.27Å; A151-K153 PolarHBondContact O-N 2.8Å
154L80.9Confident78.7Confident9 Ų956.4 Ų56.45%0.04731%0.314CS..Hα-helixtrans-82-39.3-179.5-73.5165.6000112.6A88 Y90 D99 V101 H134 L150 A151 I159 L162A88-L154 HydrophobicContact CB-CD1 3.43Å; A88-L154 VanDerWaalsContact CB-CD1 3.43Å; A88-L154 HydrophobicContact CB-CD2 4.09Å; A88-L154 HydrophobicContact CB-CG 4.34Å; Y90-L154 HydrophobicContact CD1-CB 4.25Å; Y90-L154 HydrophobicContact CD1-CD1 3.83Å; Y90-L154 HydrophobicContact CD1-CD2 4.16Å; Y90-L154 HydrophobicContact CD1-CG 4.31Å; Y90-L154 HydrophobicContact CE1-CB 4.11Å; Y90-L154 HydrophobicContact CE1-CD1 4.33Å; Y90-L154 HydrophobicContact CE1-CD2 3.83Å; Y90-L154 HydrophobicContact CE1-CG 4.32Å; Y90-L154 HydrophobicContact CG-CD1 4.34Å; D99-L154 HydrophobicContact CB-CD2 4.03Å; V101-L154 HydrophobicContact CG2-CD2 3.39Å; V101-L154 HydrophobicContact CG2-CG 4.13Å; H134-L154 PolarHBondContact CE1-O 3.32Å; H134-L154 VanDerWaalsContact CE1-O 3.25Å; L150-L154 HydrophobicContact CD1-CD1 4.12Å; L150-L154 HydrophobicContact CD1-CG 4.43Å; L150-L154 HydrophobicContact CG-CD1 3.87Å; L150-L154 WeakPolarHBondContact O-CG 3.44Å; L150-L154 PolarHBondContact O-N 3.42Å; A151-L154 PolarHBondContact O-N 2.78Å; A151-L154 VanDerWaalsContact O-N 3.15Å; L154-I159 HydrophobicContact CB-CD1 3.43Å; L154-I159 VanDerWaalsContact CB-CD1 3.43Å; L154-I159 HydrophobicContact CD1-CD1 4.48Å; L154-L162 HydrophobicContact CD1-CD1 3.96Å
155G74.3Confident78.9Confident38 Ų3858.8 Ų58.839%0.39233%0.329SS..THydrogen-bonded Turntrans-173.29.1-171.400000115.8A151 A158A151-G155 PolarHBondContact O-N 2.91Å; G155-A158 PolarHBondContact O-N 3.12Å
156G78.3Confident79.1Confident23 Ų2356.1 Ų56.124%0.23733%0.327CS..G310 helixtrans65.4-142.217700000112.6A151 E152 A158 I159A151-G156 PolarHBondContact O-N 3.1Å; E152-G156 PolarHBondContact O-N 2.75Å; G156-A158 PolarHBondContact O-N 3.35Å; G156-A158 VanDerWaalsContact O-N 3.12Å; G156-I159 PolarHBondContact O-N 2.91Å
157S71.3Confident78.7Confident125 Ų12555.6 Ų55.687%0.87433%0.327SS*.G310 helixtrans-68-5.9-179-32.70000114.8I159S157-I159 VanDerWaalsContact C-N 3.3Å
158A78.2Confident78.8Confident56 Ų5656 Ų5646%0.46333%0.334SS..G310 helixtrans-79.1-17178.800000112.7T92 G155 G156T92-A158 WeakPolarHBondContact CA-O 3.46Å; T92-A158 VanDerWaalsContact CB-O 3.29Å; T92-A158 WeakPolarHBondContact CB-O 3.33Å; T92-A158 WeakPolarHBondContact CG2-O 3.03Å; G155-A158 PolarHBondContact O-N 3.12Å; G156-A158 PolarHBondContact O-N 3.35Å; G156-A158 VanDerWaalsContact O-N 3.12Å
159I81.3Confident78.8Confident12 Ų1250.4 Ų50.46%0.06232%0.32CS..EExtended strand (participates in β ladder)trans-84.3127.8-179.8-53.6-174.2000109.2Y90 A151 L154 G156 S157 T161 L167Y90-I159 HydrophobicContact CD2-CB 4.5Å; Y90-I159 HydrophobicContact CD2-CD1 3.49Å; Y90-I159 VanDerWaalsContact CD2-CD1 3.49Å; Y90-I159 HydrophobicContact CD2-CG1 3.67Å; Y90-I159 HydrophobicContact CD2-CG2 4.15Å; Y90-I159 HydrophobicContact CE2-CD1 3.91Å; Y90-I159 HydrophobicContact CE2-CG1 4.13Å; Y90-I159 HydrophobicContact CG-CD1 3.87Å; Y90-I159 HydrophobicContact CG-CG1 4.43Å; Y90-I159 HydrophobicContact CG-CG2 4.37Å; A151-I159 HydrophobicContact CB-CB 4.3Å; A151-I159 HydrophobicContact CB-CD1 4.1Å; A151-I159 HydrophobicContact CB-CG2 4.39Å; A151-I159 VanDerWaalsContact O-CD1 3.23Å; A151-I159 WeakPolarHBondContact O-CD1 3.48Å; L154-I159 HydrophobicContact CB-CD1 3.43Å; L154-I159 VanDerWaalsContact CB-CD1 3.43Å; L154-I159 HydrophobicContact CD1-CD1 4.48Å; G156-I159 PolarHBondContact O-N 2.91Å; S157-I159 VanDerWaalsContact C-N 3.3Å; I159-T161 WeakPolarHBondContact CG2-O 3.46Å; I159-L167 HydrophobicContact CB-CD1 3.91Å; I159-L167 HydrophobicContact CG2-CD1 3.53Å
160V82.9Confident78.6Confident69 Ų6951.9 Ų51.942%0.41833%0.33SS..EExtended strand (participates in β ladder)trans-99.9-42.2-179.1-174.60000110.3E91 K93 L167E91-V160 PolarHBondContact O-N 3.02Å; K93-V160 HydrophobicContact CB-CG2 4.43Å; K93-V160 HydrophobicContact CG-CG2 3.51Å; V160-L167 PolarHBondContact O-N 3.42Å
161T82.4Confident78.4Confident29 Ų2955 Ų5518%0.17835%0.349CS..EExtended strand (participates in β ladder)trans-133.8144.2178.262.60000110.7Y90 E91 I159 T165 P166Y90-T161 CarbonylContact C-O 3.53Å; Y90-T161 VanDerWaalsContact CA-O 3.31Å; Y90-T161 WeakPolarHBondContact CA-O 3.48Å; E91-T161 VanDerWaalsContact CB-OG1 3.31Å; E91-T161 WeakPolarHBondContact CB-OG1 3.29Å; E91-T161 PolarHBondContact N-O 3.02Å; E91-T161 PolarHBondContact O-N 2.68Å; I159-T161 WeakPolarHBondContact CG2-O 3.46Å; T161-T165 CarbonylContact C-O 3.59Å; T161-T165 VanDerWaalsContact CA-O 3.27Å; T161-T165 WeakPolarHBondContact CA-O 3.47Å; T161-T165 WeakPolarHBondContact CB-O 3.43Å; T161-P166 HydrophobicContact CG2-CB 4.49Å
162L82.5Confident78.1Confident0 Ų058.3 Ų58.30%037%0.37CS..EExtended strand (participates in β ladder)trans-122.4127.6174.4-171.5142.6000108.9L150 A151 L154 G164 T165 L167L150-L162 HydrophobicContact CB-CD1 4.12Å; L150-L162 HydrophobicContact CD2-CD1 3.69Å; L150-L162 HydrophobicContact CD2-CD2 3.92Å; L150-L162 HydrophobicContact CD2-CG 4.37Å; L150-L162 HydrophobicContact CG-CD1 3.76Å; A151-L162 HydrophobicContact CB-CD1 4.11Å; L154-L162 HydrophobicContact CD1-CD1 3.96Å; L162-G164 PolarHBondContact O-N 3.01Å; L162-T165 PolarHBondContact N-O 2.94Å; L162-T165 PolarHBondContact O-N 3.41Å; L162-T165 VanDerWaalsContact O-O 3.11Å; L162-L167 HydrophobicContact CB-CD1 4.41Å; L162-L167 HydrophobicContact CB-CD2 3.95Å; L162-L167 HydrophobicContact CB-CG 4.16Å
163E79.8Confident77.7Confident36 Ų3654.1 Ų54.117%0.16836%0.357CS..THydrogen-bonded Turntrans53.633.8-175.9-62.3-69119.900113.1K35 P68 Y86 T89 T165K35-E163 VanDerWaalsContact CE-CD 3.41Å; K35-E163 VanDerWaalsContact CE-OE1 3.25Å; K35-E163 WeakPolarHBondContact CE-OE1 3.38Å; K35-E163 WeakPolarHBondContact CE-OE2 3.28Å; K35-E163 IonicContact NZ-OE1 2.86Å; K35-E163 PolarHBondContact NZ-OE1 2.79Å; K35-E163 IonicContact NZ-OE2 3.95Å; K35-E163 PolarHBondContact NZ-OE2 2.97Å; P68-E163 HydrophobicContact CG-CB 4.42Å; P68-E163 HydrophobicContact CG-CG 4.25Å; P68-E163 WeakPolarHBondContact CG-OE2 3.39Å; Y86-E163 WeakPolarHBondContact OH-CG 3.3Å; Y86-E163 PolarHBondContact OH-OE2 2.87Å; T89-E163 WeakPolarHBondContact CA-OE1 3.25Å; T89-E163 VanDerWaalsContact CB-OE1 3.26Å; T89-E163 WeakPolarHBondContact CB-OE1 3.25Å; T89-E163 PolarHBondContact N-OE1 2.8Å; T89-E163 PolarHBondContact O-N 3.07Å; E163-T165 PolarHBondContact O-N 3.46Å
164G73Confident77.4Confident55 Ų5549.8 Ų49.857%0.56735%0.347SS*.THydrogen-bonded Turntrans75.71.2-177.500000115L162L162-G164 PolarHBondContact O-N 3.01Å
165T76Confident77.1Confident49 Ų4952.9 Ų52.930%0.30137%0.37SS..EExtended strand (participates in β ladder)trans-102.5136.5173.4-47.40000110.3R147 T161 L162 E163R147-T165 VanDerWaalsContact NH1-CG2 3.27Å; R147-T165 PolarHBondContact NH1-OG1 3.19Å; T161-T165 CarbonylContact C-O 3.59Å; T161-T165 VanDerWaalsContact CA-O 3.27Å; T161-T165 WeakPolarHBondContact CA-O 3.47Å; T161-T165 WeakPolarHBondContact CB-O 3.43Å; L162-T165 PolarHBondContact N-O 2.94Å; L162-T165 PolarHBondContact O-N 3.41Å; L162-T165 VanDerWaalsContact O-O 3.11Å; E163-T165 PolarHBondContact O-N 3.46Å
166P74.2Confident77.4Confident95 Ų9554.2 Ų54.262%0.61737%0.368SS*.EExtended strand (participates in β ladder)trans-63142.2172.325.3-32.9000111.8T161T161-P166 HydrophobicContact CG2-CB 4.49Å
167L68.4Low77.3Confident101 Ų10157 Ų5753%0.52938%0.38SS..  trans-81.10176.1-71.9163.5000112.6R147 A151 I159 V160 L162R147-L167 HydrophobicContact CB-CD2 3.78Å; R147-L167 WeakPolarHBondContact O-CD2 3.41Å; A151-L167 HydrophobicContact CB-CD1 3.28Å; A151-L167 HydrophobicContact CB-CD2 3.76Å; A151-L167 HydrophobicContact CB-CG 4.17Å; I159-L167 HydrophobicContact CB-CD1 3.91Å; I159-L167 HydrophobicContact CG2-CD1 3.53Å; V160-L167 PolarHBondContact O-N 3.42Å; L162-L167 HydrophobicContact CB-CD1 4.41Å; L162-L167 HydrophobicContact CB-CD2 3.95Å; L162-L167 HydrophobicContact CB-CG 4.16Å

Retrieved 167 of 167 residues in 454.6 ms (Link to these results)

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