G4VF33_SCHMA Loading...

Zinc finger protein

AlphaFold DB , UniProt , Accession G4VF33, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 280 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
1M58.9Low83.7Confident231 Ų231144.4 Ų144.4100%1.13871%0.708SS**  0124.60-94.7152.562.300109.8K3M1-K3 PolarHBondContact O-N 3.39Å
2P69.6Low84.4Confident130 Ų130137.5 Ų137.584%0.84469%0.692SS**PPolyproline II helixtrans-57.6133.7169.7-19.331.2000109.6K4P2-K4 PolarHBondContact O-N 3.35Å
3K77.2Confident85Confident201 Ų201131.8 Ų131.887%0.87466%0.662SS**PPolyproline II helixtrans-54.1132.7-179.6-68-175.1178.2-179.60109.7M1 K5M1-K3 PolarHBondContact O-N 3.39Å; K3-K5 PolarHBondContact O-N 3.34Å
4K83.4Confident85.5Confident207 Ų207133.6 Ų133.690%0.966%0.663SS**PPolyproline II helixtrans-51126.5175-95.7-179.21781740108.7P2 T6P2-K4 PolarHBondContact O-N 3.35Å; K4-T6 PolarHBondContact O-N 3.21Å
5K83.7Confident85.7Confident91 Ų91128.5 Ų128.540%0.39665%0.65SS.*PPolyproline II helixtrans-59.7130175.4-66-173.4-176.4-174.50109.3K3 R9 K10 E13K3-K5 PolarHBondContact O-N 3.34Å; K5-R9 HydrophobicContact CD-CG 4.5Å; K5-K10 HydrophobicContact CB-CG 3.96Å; K5-K10 WeakPolarHBondContact O-CE 3.46Å; K5-E13 WeakPolarHBondContact CD-OE2 3.48Å; K5-E13 WeakPolarHBondContact CE-OE1 3.22Å; K5-E13 IonicContact NZ-OE1 3.95Å; K5-E13 PolarHBondContact NZ-OE1 3.45Å; K5-E13 IonicContact NZ-OE2 3.93Å; K5-E13 PolarHBondContact NZ-OE2 2.74Å
6T88.4Confident86Confident84 Ų84128.8 Ų128.852%0.51565%0.646SS.*PPolyproline II helixtrans-60.8156.6173.8640000110.7K4 Q8 R9 K10K4-T6 PolarHBondContact O-N 3.21Å; T6-Q8 PolarHBondContact O-N 3.31Å; T6-R9 PolarHBondContact O-N 3.2Å; T6-R9 WeakPolarHBondContact OG1-CB 3.42Å; T6-R9 PolarHBondContact OG1-N 3.42Å; T6-R9 VanDerWaalsContact OG1-N 3.15Å; T6-K10 WeakPolarHBondContact O-CG 3.41Å; T6-K10 PolarHBondContact O-N 3.37Å
7G91.6Very high86.2Confident59 Ų59127.4 Ų127.461%0.60864%0.639SS**Hα-helixtrans-56.6-40.117500000112.4K10 K11G7-K10 PolarHBondContact O-N 2.81Å; G7-K11 PolarHBondContact O-N 2.89Å
8Q92Very high86.3Confident165 Ų165129.4 Ų129.477%0.77164%0.638SS**Hα-helixtrans-60.5-46.7174.7-70174.3-19.500112.1T6 K10 K11 A12T6-Q8 PolarHBondContact O-N 3.31Å; Q8-K10 VanDerWaalsContact C-N 3.34Å; Q8-K10 PolarHBondContact O-N 3.21Å; Q8-K11 PolarHBondContact O-N 3.36Å; Q8-K11 VanDerWaalsContact O-N 3.17Å; Q8-A12 PolarHBondContact O-N 2.96Å
9R90.3Very high86.2Confident141 Ų141127.2 Ų127.253%0.53263%0.626SS.*Hα-helixtrans-62.6-41.4177.6-175.7174.4175.3169.25.5111.8K5 T6 K11 A12 E13K5-R9 HydrophobicContact CD-CG 4.5Å; T6-R9 PolarHBondContact O-N 3.2Å; T6-R9 WeakPolarHBondContact OG1-CB 3.42Å; T6-R9 PolarHBondContact OG1-N 3.42Å; T6-R9 VanDerWaalsContact OG1-N 3.15Å; R9-K11 VanDerWaalsContact C-N 3.33Å; R9-K11 PolarHBondContact O-N 3.13Å; R9-A12 PolarHBondContact O-N 3.33Å; R9-E13 IonicContact NE-OE1 3.99Å; R9-E13 PolarHBondContact NE-OE1 3.47Å; R9-E13 WeakPolarHBondContact O-CG 3.44Å; R9-E13 PolarHBondContact O-N 3.48Å
10K92.5Very high86.1Confident115 Ų115127.3 Ų127.350%0.562%0.623SS.*Hα-helixtrans-61.6-40.4174.7-68.6178.8-178.4-179.20111.7K5 T6 G7 Q8 K14K5-K10 HydrophobicContact CB-CG 3.96Å; K5-K10 WeakPolarHBondContact O-CE 3.46Å; T6-K10 WeakPolarHBondContact O-CG 3.41Å; T6-K10 PolarHBondContact O-N 3.37Å; G7-K10 PolarHBondContact O-N 2.81Å; Q8-K10 VanDerWaalsContact C-N 3.34Å; Q8-K10 PolarHBondContact O-N 3.21Å; K10-K14 WeakPolarHBondContact O-CG 3.33Å; K10-K14 PolarHBondContact O-N 3.32Å; K10-K14 VanDerWaalsContact O-N 3.08Å
11K93.4Very high86Confident164 Ų164125.8 Ų125.871%0.71362%0.617SS**Hα-helixtrans-65.8-45177-170.9177.1-179.7-179.20111.7G7 Q8 R9 K14 A15G7-K11 PolarHBondContact O-N 2.89Å; Q8-K11 PolarHBondContact O-N 3.36Å; Q8-K11 VanDerWaalsContact O-N 3.17Å; R9-K11 VanDerWaalsContact C-N 3.33Å; R9-K11 PolarHBondContact O-N 3.13Å; K11-K14 PolarHBondContact O-N 2.62Å; K11-A15 WeakPolarHBondContact O-CB 3.42Å; K11-A15 PolarHBondContact O-N 2.97Å
12A91.5Very high87.2Confident62 Ų62116 Ų11651%0.51257%0.57SS.*Hα-helixtrans-62.9-42.3177.500000112.5Q8 R9 A15 K16Q8-A12 PolarHBondContact O-N 2.96Å; R9-A12 PolarHBondContact O-N 3.33Å; A12-A15 PolarHBondContact O-N 3.34Å; A12-K16 PolarHBondContact O-N 3.37Å
13E92.6Very high87.5Confident64 Ų64116 Ų11630%0.29955%0.553SS.*Hα-helixtrans-64-43.3176.2-74.2177.2177.500111.9K5 R9 A15 K16 I17K5-E13 WeakPolarHBondContact CD-OE2 3.48Å; K5-E13 WeakPolarHBondContact CE-OE1 3.22Å; K5-E13 IonicContact NZ-OE1 3.95Å; K5-E13 PolarHBondContact NZ-OE1 3.45Å; K5-E13 IonicContact NZ-OE2 3.93Å; K5-E13 PolarHBondContact NZ-OE2 2.74Å; R9-E13 IonicContact NE-OE1 3.99Å; R9-E13 PolarHBondContact NE-OE1 3.47Å; R9-E13 WeakPolarHBondContact O-CG 3.44Å; R9-E13 PolarHBondContact O-N 3.48Å; E13-A15 PolarHBondContact O-N 2.72Å; E13-K16 PolarHBondContact O-N 2.86Å; E13-I17 WeakPolarHBondContact O-CG1 3.34Å; E13-I17 PolarHBondContact O-N 3.44Å
14K92.6Very high87.4Confident156 Ų156113.5 Ų113.568%0.67854%0.542SS*.Hα-helixtrans-60.9-43.1173.7-75.1-178.7178.8-170.40112K10 K11 K16 I17 R18K10-K14 WeakPolarHBondContact O-CG 3.33Å; K10-K14 PolarHBondContact O-N 3.32Å; K10-K14 VanDerWaalsContact O-N 3.08Å; K11-K14 PolarHBondContact O-N 2.62Å; K14-K16 PolarHBondContact O-N 3.42Å; K14-I17 PolarHBondContact O-N 3.45Å; K14-R18 PolarHBondContact O-N 3.39Å
15A87.7Confident87Confident57 Ų57109 Ų10947%0.47152%0.524SS..Hα-helixtrans-61.9-42.1176.900000111.8K11 A12 E13 I17 R18 Q19K11-A15 WeakPolarHBondContact O-CB 3.42Å; K11-A15 PolarHBondContact O-N 2.97Å; A12-A15 PolarHBondContact O-N 3.34Å; E13-A15 PolarHBondContact O-N 2.72Å; A15-I17 PolarHBondContact O-N 2.91Å; A15-R18 PolarHBondContact O-N 2.67Å; A15-Q19 WeakPolarHBondContact O-CB 3.36Å; A15-Q19 PolarHBondContact O-N 3.08Å
16K90.4Very high86.3Confident134 Ų134105.4 Ų105.458%0.58351%0.513SS*.Hα-helixtrans-64.2-39.9176.6-169.1172.4-174.6172.30112.4A12 E13 K14 K20A12-K16 PolarHBondContact O-N 3.37Å; E13-K16 PolarHBondContact O-N 2.86Å; K14-K16 PolarHBondContact O-N 3.42Å; K16-K20 WeakPolarHBondContact O-CG 3.41Å; K16-K20 PolarHBondContact O-N 3.01Å
17I90.1Very high85.3Confident104 Ų104106.3 Ų106.353%0.53351%0.514SS..Hα-helixtrans-65-45.9174.7-66.9165.9000110.2E13 K14 A15 Q19 K20 L21E13-I17 WeakPolarHBondContact O-CG1 3.34Å; E13-I17 PolarHBondContact O-N 3.44Å; K14-I17 PolarHBondContact O-N 3.45Å; A15-I17 PolarHBondContact O-N 2.91Å; I17-Q19 VanDerWaalsContact C-N 3.35Å; I17-Q19 PolarHBondContact O-N 3.01Å; I17-K20 WeakPolarHBondContact O-CB 3.42Å; I17-K20 PolarHBondContact O-N 3.27Å; I17-L21 HydrophobicContact CG2-CD1 4.32Å; I17-L21 WeakPolarHBondContact O-CG 3.46Å; I17-L21 PolarHBondContact O-N 3.02Å
18R87.2Confident84.4Confident164 Ų164111.6 Ų111.662%0.61952%0.523SS*.Hα-helixtrans-57.4-47.4175.9-175.6179.3178.4-171.1-1.4111.3K14 A15 K20 L21 L22K14-R18 PolarHBondContact O-N 3.39Å; A15-R18 PolarHBondContact O-N 2.67Å; R18-K20 VanDerWaalsContact C-N 3.3Å; R18-K20 PolarHBondContact O-N 3.44Å; R18-L21 WeakPolarHBondContact O-CB 3.19Å; R18-L21 PolarHBondContact O-N 3.15Å; R18-L21 VanDerWaalsContact O-N 3.08Å; R18-L22 HydrophobicContact CG-CD1 4.41Å; R18-L22 HydrophobicContact CG-CG 4.48Å; R18-L22 WeakPolarHBondContact O-CG 3.39Å; R18-L22 PolarHBondContact O-N 3.35Å
19Q84.4Confident83.9Confident88 Ų88106.3 Ų106.341%0.41150%0.499SS..Hα-helixtrans-61.3-37.7178.4-167.1-179.219.500112.3A15 I17 L22 R23A15-Q19 WeakPolarHBondContact O-CB 3.36Å; A15-Q19 PolarHBondContact O-N 3.08Å; I17-Q19 VanDerWaalsContact C-N 3.35Å; I17-Q19 PolarHBondContact O-N 3.01Å; Q19-L22 PolarHBondContact O-N 2.98Å; Q19-R23 WeakPolarHBondContact O-CG 3.35Å; Q19-R23 PolarHBondContact O-N 3.33Å
20K84.4Confident83.7Confident129 Ų129103.6 Ų103.656%0.56150%0.495SS*.Hα-helixtrans-64.5-38.4173.3-74.8-179.8177.4-1690112.6K16 I17 R18 R23 K24K16-K20 WeakPolarHBondContact O-CG 3.41Å; K16-K20 PolarHBondContact O-N 3.01Å; I17-K20 WeakPolarHBondContact O-CB 3.42Å; I17-K20 PolarHBondContact O-N 3.27Å; R18-K20 VanDerWaalsContact C-N 3.3Å; R18-K20 PolarHBondContact O-N 3.44Å; K20-R23 PolarHBondContact O-N 3.17Å; K20-K24 PolarHBondContact O-N 3.4Å; K20-K24 VanDerWaalsContact O-N 3.15Å
21L84.8Confident83.6Confident96 Ų9698.3 Ų98.350%0.50347%0.473SS..Hα-helixtrans-67.2-45.2176-68.7172.2000111.2I17 R18 R23 K24 Q25I17-L21 HydrophobicContact CG2-CD1 4.32Å; I17-L21 WeakPolarHBondContact O-CG 3.46Å; I17-L21 PolarHBondContact O-N 3.02Å; R18-L21 WeakPolarHBondContact O-CB 3.19Å; R18-L21 PolarHBondContact O-N 3.15Å; R18-L21 VanDerWaalsContact O-N 3.08Å; L21-R23 VanDerWaalsContact C-N 3.27Å; L21-R23 PolarHBondContact O-N 3.34Å; L21-K24 WeakPolarHBondContact O-CB 3.35Å; L21-K24 PolarHBondContact O-N 2.96Å; L21-Q25 WeakPolarHBondContact O-CG 3.48Å; L21-Q25 PolarHBondContact O-N 2.58Å
22L82.7Confident83.4Confident26 Ų2694.4 Ų94.414%0.13646%0.458CS..Hα-helixtrans-58.3-40.5175.2-67.7179.7000111.7R18 Q19 K24 Q25 G26 C120 E121R18-L22 HydrophobicContact CG-CD1 4.41Å; R18-L22 HydrophobicContact CG-CG 4.48Å; R18-L22 WeakPolarHBondContact O-CG 3.39Å; R18-L22 PolarHBondContact O-N 3.35Å; Q19-L22 PolarHBondContact O-N 2.98Å; L22-K24 VanDerWaalsContact C-N 3.34Å; L22-K24 PolarHBondContact O-N 3.47Å; L22-Q25 PolarHBondContact O-N 2.65Å; L22-G26 PolarHBondContact O-N 3.04Å; L22-C120 HydrophobicContact CD1-CB 4.17Å; L22-E121 HydrophobicContact CD1-CG 4.13Å; L22-E121 HydrophobicContact CD2-CG 3.95Å
23R76.9Confident83.3Confident129 Ų12996.9 Ų96.949%0.48746%0.463SS..Hα-helixtrans-63.1-37.6174.8-77.5178.9172-176.1-3.2113.2Q19 K20 L21 G26 D126Q19-R23 WeakPolarHBondContact O-CG 3.35Å; Q19-R23 PolarHBondContact O-N 3.33Å; K20-R23 PolarHBondContact O-N 3.17Å; L21-R23 VanDerWaalsContact C-N 3.27Å; L21-R23 PolarHBondContact O-N 3.34Å; R23-G26 PolarHBondContact O-N 2.87Å; R23-D126 IonicContact NE-OD2 2.89Å
24K75.8Confident83.4Confident148 Ų14895.3 Ų95.364%0.64346%0.456SS*.Hα-helixtrans-67.8-45.4175.3-74.3-174.1174.3-165.80111.3K20 L21 L22 G26 L27K20-K24 PolarHBondContact O-N 3.4Å; K20-K24 VanDerWaalsContact O-N 3.15Å; L21-K24 WeakPolarHBondContact O-CB 3.35Å; L21-K24 PolarHBondContact O-N 2.96Å; L22-K24 VanDerWaalsContact C-N 3.34Å; L22-K24 PolarHBondContact O-N 3.47Å; K24-G26 PolarHBondContact O-N 2.98Å; K24-L27 WeakPolarHBondContact O-CB 3.38Å; K24-L27 PolarHBondContact O-N 3.47Å; K24-L27 VanDerWaalsContact O-N 3.12Å
25Q74.5Confident83.6Confident113 Ų11389 Ų8953%0.52843%0.431SS..Hα-helixtrans-61.9-35.2176-70.7174.8-31.900111.7L21 L22 L27 E28 I29L21-Q25 WeakPolarHBondContact O-CG 3.48Å; L21-Q25 PolarHBondContact O-N 2.58Å; L22-Q25 PolarHBondContact O-N 2.65Å; Q25-L27 PolarHBondContact O-N 3.06Å; Q25-L27 VanDerWaalsContact O-N 3.12Å; Q25-E28 PolarHBondContact O-N 2.73Å; Q25-I29 PolarHBondContact O-N 3.01Å
26G68.1Low84Confident16 Ų1686.3 Ų86.317%0.16541%0.408CS..THydrogen-bonded Turntrans-59.1-21.2175.100000114.8L22 R23 K24L22-G26 PolarHBondContact O-N 3.04Å; R23-G26 PolarHBondContact O-N 2.87Å; K24-G26 PolarHBondContact O-N 2.98Å
27L68.5Low84.2Confident103 Ų10379.9 Ų79.954%0.53938%0.381SS..THydrogen-bonded Turntrans-76.3-25.5174.3-60.9172.9000112.5K24 Q25K24-L27 WeakPolarHBondContact O-CB 3.38Å; K24-L27 PolarHBondContact O-N 3.47Å; K24-L27 VanDerWaalsContact O-N 3.12Å; Q25-L27 PolarHBondContact O-N 3.06Å; Q25-L27 VanDerWaalsContact O-N 3.12Å
28E73Confident84.5Confident169 Ų16977.4 Ų77.479%0.7937%0.368SS*.THydrogen-bonded Turntrans-92.4-6-179.6-63.5176.8177.800112.6Q25 D30Q25-E28 PolarHBondContact O-N 2.73Å; E28-D30 PolarHBondContact O-N 2.76Å
29I81.7Confident84.8Confident54 Ų5472.7 Ų72.728%0.27735%0.354SS..SBendtrans-67.6127.4177.9-63.2177.2000108.9Q25 L31 H34 P123Q25-I29 PolarHBondContact O-N 3.01Å; I29-L31 VanDerWaalsContact C-N 3.33Å; I29-L31 PolarHBondContact O-N 2.87Å; I29-H34 HydrophobicContact CG2-CB 4.31Å; I29-P123 HydrophobicContact CB-CB 4.43Å; I29-P123 HydrophobicContact CD1-CB 4.11Å; I29-P123 HydrophobicContact CG2-CB 4.22Å; I29-P123 HydrophobicContact CG2-CG 4.43Å
30D84.4Confident85.3Confident84 Ų8469.4 Ų69.445%0.44934%0.339SS..  trans-63.194.8167.4178.48000109.8E28 I32 N33 H34E28-D30 PolarHBondContact O-N 2.76Å; D30-I32 VanDerWaalsContact C-N 3.26Å; D30-I32 PolarHBondContact O-N 2.83Å; D30-I32 PolarHBondContact OD1-N 2.91Å; D30-N33 WeakPolarHBondContact OD2-CB 3.47Å; D30-N33 PolarHBondContact OD2-ND2 3.09Å; D30-H34 WeakPolarHBondContact O-CB 3.04Å; D30-H34 PolarHBondContact O-N 2.83Å
31L90.3Very high85.8Confident5 Ų569 Ų693%0.02634%0.339CS..THydrogen-bonded Turntrans-67.8-28.5-174.5-173.260.2000112I29 N37 P123 L124 V143 K152I29-L31 VanDerWaalsContact C-N 3.33Å; I29-L31 PolarHBondContact O-N 2.87Å; L31-N37 HydrophobicContact CD1-CB 4.26Å; L31-N37 VanDerWaalsContact O-CB 3.3Å; L31-N37 WeakPolarHBondContact O-CB 3.36Å; L31-N37 PolarHBondContact O-ND2 3.31Å; L31-P123 HydrophobicContact CD1-CB 3.97Å; L31-P123 HydrophobicContact CD1-CG 4.08Å; L31-L124 HydrophobicContact CD1-CD2 3.78Å; L31-L124 HydrophobicContact CD1-CG 4.3Å; L31-L124 HydrophobicContact CD2-CD2 4.47Å; L31-V143 HydrophobicContact CD2-CB 3.98Å; L31-V143 HydrophobicContact CD2-CG1 3.71Å; L31-V143 WeakPolarHBondContact CD2-O 2.99Å; L31-K152 HydrophobicContact CD2-CD 3.92Å
32I89.1Confident86.3Confident81 Ų8164.4 Ų64.442%0.41532%0.315SS..THydrogen-bonded Turntrans-67.3-43-174.9-65.1174.4000110.1D30 F144D30-I32 VanDerWaalsContact C-N 3.26Å; D30-I32 PolarHBondContact O-N 2.83Å; D30-I32 PolarHBondContact OD1-N 2.91Å; I32-F144 HydrophobicContact CD1-CD1 4.29Å; I32-F144 HydrophobicContact CG1-CD1 4.02Å; I32-F144 HydrophobicContact CG1-CE1 4.27Å
33N90.5Very high86.8Confident115 Ų11567 Ų6762%0.61535%0.349SS*.THydrogen-bonded Turntrans-94.7-3.9-177.6-64.9-47.1000113.6D30D30-N33 WeakPolarHBondContact OD2-CB 3.47Å; D30-N33 PolarHBondContact OD2-ND2 3.09Å
34H95.1Very high87.6Confident30 Ų3068.2 Ų68.214%0.13936%0.36CS..SBendtrans-65.6133.3-178.9-168.9-89.4000111.3I29 D30 S36 N37 I38 C68 P123I29-H34 HydrophobicContact CG2-CB 4.31Å; D30-H34 WeakPolarHBondContact O-CB 3.04Å; D30-H34 PolarHBondContact O-N 2.83Å; H34-S36 PolarHBondContact CE1-OG 3.18Å; H34-S36 WeakPolarHBondContact ND1-CB 3.4Å; H34-S36 PolarHBondContact ND1-N 3.39Å; H34-S36 PolarHBondContact ND1-OG 3.01Å; H34-S36 PolarHBondContact O-N 3.21Å; H34-N37 CarbonylContact O-C 3.56Å; H34-N37 WeakPolarHBondContact O-CA 3.3Å; H34-N37 PolarHBondContact O-N 2.76Å; H34-I38 PolarHBondContact O-N 3.48Å; H34-I38 VanDerWaalsContact O-N 3.17Å; H34-C68 PolarHBondContact CE1-O 3.36Å; H34-C68 VanDerWaalsContact CE1-O 3.24Å; H34-P123 HydrophobicContact CB-CG 4.42Å; H34-P123 WeakPolarHBondContact ND1-CG 3.3Å
35P96.2Very high88.6Confident24 Ų2463.6 Ų63.616%0.15635%0.346CS..THydrogen-bonded Turntrans-57.1-22.3-175.7-29.837000116.4N37 N51 C67P35-N37 PolarHBondContact O-N 3.3Å; P35-N51 PolarHBondContact O-ND2 2.94Å; P35-C67 VanDerWaalsContact CB-O 3.3Å; P35-C67 WeakPolarHBondContact CB-O 3.35Å
36S95.1Very high89.6Confident0 Ų060 Ų600%034%0.339CS..THydrogen-bonded Turntrans-75.2-11.8173.769.80000114.2H34 C68H34-S36 PolarHBondContact CE1-OG 3.18Å; H34-S36 WeakPolarHBondContact ND1-CB 3.4Å; H34-S36 PolarHBondContact ND1-N 3.39Å; H34-S36 PolarHBondContact ND1-OG 3.01Å; H34-S36 PolarHBondContact O-N 3.21Å; S36-C68 PolarHBondContact N-O 3.47Å
37N95.9Very high90.9Very high0 Ų064.3 Ų64.30%035%0.354CS..THydrogen-bonded Turntrans-129.31.7-172-166.652.3000113.1L31 H34 P35 L124 R142 V143L31-N37 HydrophobicContact CD1-CB 4.26Å; L31-N37 VanDerWaalsContact O-CB 3.3Å; L31-N37 WeakPolarHBondContact O-CB 3.36Å; L31-N37 PolarHBondContact O-ND2 3.31Å; H34-N37 CarbonylContact O-C 3.56Å; H34-N37 WeakPolarHBondContact O-CA 3.3Å; H34-N37 PolarHBondContact O-N 2.76Å; P35-N37 PolarHBondContact O-N 3.3Å; N37-L124 HydrophobicContact CB-CD1 4.49Å; N37-R142 VanDerWaalsContact O-CD 3.26Å; N37-R142 WeakPolarHBondContact O-CD 3.19Å; N37-R142 WeakPolarHBondContact O-CG 3.15Å; N37-R142 WeakPolarHBondContact OD1-CA 3.29Å; N37-V143 PolarHBondContact ND2-O 2.84Å; N37-V143 PolarHBondContact OD1-N 3.44Å
38I95.3Very high92.2Very high51 Ų5167.2 Ų67.226%0.26236%0.357SS..  trans-58.2150.9172.263.7177.6000110.5H34 K50 N51 V66H34-I38 PolarHBondContact O-N 3.48Å; H34-I38 VanDerWaalsContact O-N 3.17Å; I38-K50 CarbonylContact O-C 3.46Å; I38-K50 WeakPolarHBondContact O-CA 3.38Å; I38-N51 HydrophobicContact CD1-CB 4.49Å; I38-N51 HydrophobicContact CG1-CB 3.78Å; I38-N51 PolarHBondContact O-N 3.09Å; I38-V66 HydrophobicContact CD1-CB 4.26Å; I38-V66 HydrophobicContact CD1-CG1 3.69Å; I38-V66 HydrophobicContact CD1-CG2 4.39Å
39L94.9Very high93.3Very high65 Ų6559.2 Ų59.234%0.3432%0.32SS..EExtended strand (participates in β ladder)trans-68.9140.5175.3177.671.7000111.1R48L39-R48 HydrophobicContact CD1-CB 3.99Å; L39-R48 HydrophobicContact CD1-CG 4.35Å
40M93.6Very high93.9Very high19 Ų1956.7 Ų56.79%0.09431%0.307CS..EExtended strand (participates in β ladder)trans-142.7146.3175.5-174.4175.3-81.800110.3R48 Q49 N51 Q62 V66M40-R48 WeakPolarHBondContact O-CA 3.48Å; M40-Q49 PolarHBondContact N-O 3.49Å; M40-Q49 PolarHBondContact O-N 3.49Å; M40-N51 HydrophobicContact CE-CB 4.29Å; M40-N51 WeakPolarHBondContact CE-OD1 3.38Å; M40-Q62 HydrophobicContact CE-CG 4.21Å; M40-Q62 HydrophobicContact SD-CB 4.48Å; M40-Q62 HydrophobicContact SD-CG 3.39Å; M40-Q62 WeakPolarHBondContact SD-CG 3.21Å; M40-Q62 PolarHBondContact SD-NE2 3.36Å; M40-Q62 VanDerWaalsContact SD-NE2 3.38Å; M40-V66 HydrophobicContact CE-CB 4.07Å; M40-V66 HydrophobicContact CE-CG2 3.65Å
41E95.1Very high94.5Very high120 Ų12052.7 Ų52.756%0.56129%0.285SS*.EExtended strand (participates in β ladder)trans-103.8135.8172.6-166.2-179.7148.800110G43 G46E41-G43 PolarHBondContact O-N 3.31Å; E41-G46 WeakPolarHBondContact CG-O 3.11Å
42C95.7Very high94.7Very high0 Ų053.1 Ų53.10%029%0.287CS..  trans-70.1118.8172.71800000110.1Q44 C45 G46 K47 C55 C58 S60C42-Q44 PolarHBondContact O-N 2.93Å; C42-Q44 PolarHBondContact SG-N 3.33Å; C42-Q44 VanDerWaalsContact SG-N 3.39Å; C42-C45 VanDerWaalsContact CB-SG 3.56Å; C42-C45 PolarHBondContact SG-N 3.32Å; C42-C45 VanDerWaalsContact SG-N 3.45Å; C42-G46 VanDerWaalsContact O-CA 3.31Å; C42-G46 WeakPolarHBondContact O-CA 3.48Å; C42-G46 PolarHBondContact O-N 3.49Å; C42-K47 PolarHBondContact N-O 3.02Å; C42-C55 HydrophobicContact CB-CB 4.27Å; C42-C58 VanDerWaalsContact SG-SG 3.64Å; C42-S60 PolarHBondContact SG-OG 2.92Å
43G93Very high95Very high82 Ų8249.2 Ų49.285%0.84527%0.267SS*.THydrogen-bonded Turntrans-66.4-6.6176.900000115.4E41E41-G43 PolarHBondContact O-N 3.31Å
44Q95Very high95.3Very high153 Ų15347.2 Ų47.272%0.71525%0.253SS*.THydrogen-bonded Turntrans-106-39179.5-150-173.2-38.300113.5C42C42-Q44 PolarHBondContact O-N 2.93Å; C42-Q44 PolarHBondContact SG-N 3.33Å; C42-Q44 VanDerWaalsContact SG-N 3.39Å
45C96.9Very high95.3Very high51 Ų5145.8 Ų45.835%0.34525%0.246SC..THydrogen-bonded Turntrans-114.3-1-179.870.70000114.7C42 K47 C55 C58C42-C45 VanDerWaalsContact CB-SG 3.56Å; C42-C45 PolarHBondContact SG-N 3.32Å; C42-C45 VanDerWaalsContact SG-N 3.45Å; C45-K47 PolarHBondContact O-N 3.36Å; C45-C55 VanDerWaalsContact SG-SG 3.68Å; C45-C58 HydrophobicContact CB-CB 4.32Å; C45-C58 VanDerWaalsContact SG-SG 3.66Å
46G95.2Very high95.3Very high38 Ų3848.2 Ų48.239%0.39225%0.253SS..  trans68.8-1179.600000115.2E41 C42E41-G46 WeakPolarHBondContact CG-O 3.11Å; C42-G46 VanDerWaalsContact O-CA 3.31Å; C42-G46 WeakPolarHBondContact O-CA 3.48Å; C42-G46 PolarHBondContact O-N 3.49Å
47K95.5Very high95.3Very high107 Ų10752.7 Ų52.747%0.46527%0.273SS..  trans-74.5136.6-179-66.5-175.4177.6-174.80111.4C42 C45 F57C42-K47 PolarHBondContact N-O 3.02Å; C45-K47 PolarHBondContact O-N 3.36Å; K47-F57 HydrophobicContact CB-CD2 3.53Å; K47-F57 HydrophobicContact CB-CE2 3.74Å; K47-F57 HydrophobicContact CB-CG 4.29Å; K47-F57 HydrophobicContact CD-CB 3.76Å; K47-F57 HydrophobicContact CD-CD1 3.76Å; K47-F57 HydrophobicContact CD-CD2 3.55Å; K47-F57 HydrophobicContact CD-CE1 4.2Å; K47-F57 HydrophobicContact CD-CE2 4.02Å; K47-F57 HydrophobicContact CD-CG 3.4Å; K47-F57 HydrophobicContact CD-CZ 4.31Å; K47-F57 HydrophobicContact CG-CD2 4.17Å; K47-F57 HydrophobicContact CG-CE2 4.5Å; K47-F57 HydrophobicContact CG-CG 4.46Å
48R95.2Very high95.3Very high163 Ų16355.2 Ų55.262%0.61529%0.289SS*.EExtended strand (participates in β ladder)trans-77.8137.2174-72175.678.9-179.35.8110.5L39 M40L39-R48 HydrophobicContact CD1-CB 3.99Å; L39-R48 HydrophobicContact CD1-CG 4.35Å; M40-R48 WeakPolarHBondContact O-CA 3.48Å
49Q95Very high95.3Very high2 Ų259 Ų591%0.00931%0.306CS..EExtended strand (participates in β ladder)trans-156170.7-179.658.8-170.6-45.800109.5M40 C55 F57 G140M40-Q49 PolarHBondContact N-O 3.49Å; M40-Q49 PolarHBondContact O-N 3.49Å; Q49-C55 PolarHBondContact NE2-SG 2.78Å; Q49-F57 HydrophobicContact CB-CE2 4.48Å; Q49-G140 WeakPolarHBondContact CA-O 3.46Å; Q49-G140 VanDerWaalsContact CB-O 3.22Å; Q49-G140 WeakPolarHBondContact CB-O 3.49Å
50K95.4Very high95.4Very high0 Ų056.4 Ų56.40%029%0.294CS..EExtended strand (participates in β ladder)trans-68.2162.616771.5-179.6177.468.10110.9I38 R52 C104 L124 L136 G140 G141 R142I38-K50 CarbonylContact O-C 3.46Å; I38-K50 WeakPolarHBondContact O-CA 3.38Å; K50-R52 HydrophobicContact CG-CG 4.09Å; K50-R52 PolarHBondContact O-N 2.92Å; K50-R52 VanDerWaalsContact O-N 3.13Å; K50-C104 PolarHBondContact NZ-O 3.29Å; K50-L124 HydrophobicContact CD-CD1 4.34Å; K50-L136 HydrophobicContact CD-CD2 4.39Å; K50-G140 PolarHBondContact N-O 3.17Å; K50-G141 WeakPolarHBondContact CD-O 3.15Å; K50-R142 HydrophobicContact CB-CG 4.03Å
51N95.7Very high95.4Very high0 Ų059.9 Ų59.90%031%0.311CS..SBendtrans-50.4121.7171-175.214.1000110.7P35 I38 M40 V66 A106P35-N51 PolarHBondContact O-ND2 2.94Å; I38-N51 HydrophobicContact CD1-CB 4.49Å; I38-N51 HydrophobicContact CG1-CB 3.78Å; I38-N51 PolarHBondContact O-N 3.09Å; M40-N51 HydrophobicContact CE-CB 4.29Å; M40-N51 WeakPolarHBondContact CE-OD1 3.38Å; N51-V66 PolarHBondContact ND2-O 3.24Å; N51-A106 WeakPolarHBondContact O-CB 3.44Å
52R95.3Very high95.3Very high14 Ų1454.8 Ų54.85%0.05329%0.288CS..  trans-147.3152.1-178.7-77.2178138.4-83.4-5.6109.5K50 F54 Q62 D105 L136K50-R52 HydrophobicContact CG-CG 4.09Å; K50-R52 PolarHBondContact O-N 2.92Å; K50-R52 VanDerWaalsContact O-N 3.13Å; R52-F54 WeakPolarHBondContact CB-O 3.43Å; R52-Q62 WeakPolarHBondContact O-CB 3.38Å; R52-D105 CarbonylContact C-O 3.6Å; R52-D105 VanDerWaalsContact CA-O 3.3Å; R52-D105 WeakPolarHBondContact CA-O 3.44Å; R52-D105 HydrophobicContact CG-CB 4.48Å; R52-D105 IonicContact CZ-OD2 3.28Å; R52-D105 VanDerWaalsContact CZ-OD2 3.28Å; R52-D105 IonicContact NH1-OD2 3.23Å; R52-D105 PolarHBondContact NH1-OD2 3.35Å; R52-D105 IonicContact NH2-OD2 2.66Å; R52-D105 PolarHBondContact NH2-OD2 2.86Å; R52-L136 PolarHBondContact NH2-O 3.24Å
53A96.2Very high95Very high0 Ų065.1 Ų65.10%033%0.327CS..SBendtrans-71.5-38.2173.300000111.5Q62 I100 D105 W107A53-Q62 WeakPolarHBondContact O-CB 3.29Å; A53-Q62 PolarHBondContact O-N 3.42Å; A53-I100 HydrophobicContact CB-CD1 4.14Å; A53-I100 HydrophobicContact CB-CG1 4.05Å; A53-I100 HydrophobicContact CB-CG2 4.2Å; A53-D105 WeakPolarHBondContact CB-O 3.45Å; A53-D105 PolarHBondContact N-O 3.45Å; A53-W107 HydrophobicContact CB-CD2 3.65Å; A53-W107 VanDerWaalsContact CB-CE2 3.45Å; A53-W107 HydrophobicContact CB-CE3 3.98Å; A53-W107 HydrophobicContact CB-CG 4.19Å; A53-W107 HydrophobicContact CB-CH2 4Å; A53-W107 HydrophobicContact CB-CZ2 3.63Å; A53-W107 HydrophobicContact CB-CZ3 4.17Å
54F95.4Very high94.9Very high72 Ų7266.9 Ų66.932%0.31632%0.316SS..BIsolated β-bridgetrans-123.7136.2177.4-48.2-80.1000109.9R52 Y56 S60 I61 I100R52-F54 WeakPolarHBondContact CB-O 3.43Å; F54-Y56 PolarHBondContact O-N 3.13Å; F54-S60 CarbonylContact C-O 3.53Å; F54-S60 WeakPolarHBondContact CA-O 3.44Å; F54-I61 HydrophobicContact CD1-CG1 3.92Å; F54-I61 HydrophobicContact CE1-CD1 4.47Å; F54-I61 HydrophobicContact CE1-CG1 3.85Å; F54-I100 HydrophobicContact CE2-CD1 3.66Å; F54-I100 HydrophobicContact CZ-CD1 3.87Å
55C95.8Very high94.9Very high1 Ų159.7 Ų59.71%0.00728%0.283CS..  trans-59.6126.6175.41770000110.3C42 C45 Q49 F57 C58 Q59 S60C42-C55 HydrophobicContact CB-CB 4.27Å; C45-C55 VanDerWaalsContact SG-SG 3.68Å; Q49-C55 PolarHBondContact NE2-SG 2.78Å; C55-F57 PolarHBondContact O-N 2.91Å; C55-F57 PolarHBondContact SG-N 3.33Å; C55-F57 VanDerWaalsContact SG-N 3.42Å; C55-C58 PolarHBondContact SG-SG 2.78Å; C55-Q59 WeakPolarHBondContact O-CA 3.47Å; C55-Q59 PolarHBondContact O-N 3.37Å; C55-S60 WeakPolarHBondContact CB-OG 3.37Å; C55-S60 PolarHBondContact N-O 2.84Å
56Y95Very high94.8Very high74 Ų7457.6 Ų57.629%0.2927%0.268SS..THydrogen-bonded Turntrans-56.7-36.1177.3176.5-102.5000112.5F54 S138 G140F54-Y56 PolarHBondContact O-N 3.13Å; Y56-S138 VanDerWaalsContact OH-C 3.27Å; Y56-S138 PolarHBondContact OH-O 3.24Å; Y56-S138 VanDerWaalsContact OH-O 3.06Å; Y56-G140 VanDerWaalsContact CG-CA 3.47Å
57F95.3Very high94.9Very high95 Ų9555.8 Ų55.842%0.41725%0.249SC..THydrogen-bonded Turntrans-87.2-39.2-172.1-57.7-77.3000114.7K47 Q49 C55K47-F57 HydrophobicContact CB-CD2 3.53Å; K47-F57 HydrophobicContact CB-CE2 3.74Å; K47-F57 HydrophobicContact CB-CG 4.29Å; K47-F57 HydrophobicContact CD-CB 3.76Å; K47-F57 HydrophobicContact CD-CD1 3.76Å; K47-F57 HydrophobicContact CD-CD2 3.55Å; K47-F57 HydrophobicContact CD-CE1 4.2Å; K47-F57 HydrophobicContact CD-CE2 4.02Å; K47-F57 HydrophobicContact CD-CG 3.4Å; K47-F57 HydrophobicContact CD-CZ 4.31Å; K47-F57 HydrophobicContact CG-CD2 4.17Å; K47-F57 HydrophobicContact CG-CE2 4.5Å; K47-F57 HydrophobicContact CG-CG 4.46Å; Q49-F57 HydrophobicContact CB-CE2 4.48Å; C55-F57 PolarHBondContact O-N 2.91Å; C55-F57 PolarHBondContact SG-N 3.33Å; C55-F57 VanDerWaalsContact SG-N 3.42Å
58C96.7Very high95Very high52 Ų5250.7 Ų50.735%0.35123%0.227SC..THydrogen-bonded Turntrans-122.33.7-174.468.20000113.9C42 C45 C55 S60C42-C58 VanDerWaalsContact SG-SG 3.64Å; C45-C58 HydrophobicContact CB-CB 4.32Å; C45-C58 VanDerWaalsContact SG-SG 3.66Å; C55-C58 PolarHBondContact SG-SG 2.78Å; C58-S60 PolarHBondContact O-N 2.91Å; C58-S60 VanDerWaalsContact SG-CB 3.59Å; C58-S60 PolarHBondContact SG-OG 3.4Å
59Q95.2Very high95Very high130 Ų13044.8 Ų44.861%0.60721%0.207SC*.  trans58.69.8-179.4-55.5-61.5-18.900115.1C55C55-Q59 WeakPolarHBondContact O-CA 3.47Å; C55-Q59 PolarHBondContact O-N 3.37Å
60S96.4Very high94.9Very high12 Ų1246.8 Ų46.88%0.08422%0.221CC..  trans-63.8141176.7660000111.4C42 F54 C55 C58 Q62C42-S60 PolarHBondContact SG-OG 2.92Å; F54-S60 CarbonylContact C-O 3.53Å; F54-S60 WeakPolarHBondContact CA-O 3.44Å; C55-S60 WeakPolarHBondContact CB-OG 3.37Å; C55-S60 PolarHBondContact N-O 2.84Å; C58-S60 PolarHBondContact O-N 2.91Å; C58-S60 VanDerWaalsContact SG-CB 3.59Å; C58-S60 PolarHBondContact SG-OG 3.4Å; S60-Q62 PolarHBondContact O-N 3.27Å
61I95.3Very high94.9Very high91 Ų9148.3 Ų48.347%0.46724%0.236SC..BIsolated β-bridgetrans-69.2128.2175.1-60.8177.8000108.8F54 R63 W107F54-I61 HydrophobicContact CD1-CG1 3.92Å; F54-I61 HydrophobicContact CE1-CD1 4.47Å; F54-I61 HydrophobicContact CE1-CG1 3.85Å; I61-R63 PolarHBondContact O-N 3.27Å; I61-R63 VanDerWaalsContact O-N 3.1Å; I61-W107 HydrophobicContact CG2-CZ2 4.05Å
62Q93Very high94.8Very high13 Ų1352.8 Ų52.86%0.06126%0.255CS..  trans-70107.3175.3-175.965.215.500110.7M40 R52 A53 S60 L64M40-Q62 HydrophobicContact CE-CG 4.21Å; M40-Q62 HydrophobicContact SD-CB 4.48Å; M40-Q62 HydrophobicContact SD-CG 3.39Å; M40-Q62 WeakPolarHBondContact SD-CG 3.21Å; M40-Q62 PolarHBondContact SD-NE2 3.36Å; M40-Q62 VanDerWaalsContact SD-NE2 3.38Å; R52-Q62 WeakPolarHBondContact O-CB 3.38Å; A53-Q62 WeakPolarHBondContact O-CB 3.29Å; A53-Q62 PolarHBondContact O-N 3.42Å; S60-Q62 PolarHBondContact O-N 3.27Å; Q62-L64 VanDerWaalsContact C-N 3.33Å; Q62-L64 PolarHBondContact O-N 3.39Å
63R88.4Confident94.8Very high218 Ų21857.6 Ų57.682%0.82328%0.279SS*.SBendtrans-73.9-19.8-176.5-62.3-172.3-178.6-148.41.1114.5I61 P65I61-R63 PolarHBondContact O-N 3.27Å; I61-R63 VanDerWaalsContact O-N 3.1Å; R63-P65 WeakPolarHBondContact O-CD 3.48Å
64L91.2Very high94.6Very high118 Ų11862.9 Ų62.962%0.61830%0.302SS*.SBendtrans-105.677.2172.4-65.4176000109.6Q62 V66Q62-L64 VanDerWaalsContact C-N 3.33Å; Q62-L64 PolarHBondContact O-N 3.39Å; L64-V66 PolarHBondContact O-N 2.75Å
65P93.8Very high94.4Very high3 Ų359.8 Ų59.82%0.01929%0.289CS..  trans-67134-178.127.8-34.3000110.9R63 G93 M96 V97 W107R63-P65 WeakPolarHBondContact O-CD 3.48Å; P65-G93 VanDerWaalsContact CG-C 3.47Å; P65-G93 VanDerWaalsContact CG-O 3.32Å; P65-G93 WeakPolarHBondContact CG-O 3.23Å; P65-M96 HydrophobicContact CG-CG 4.49Å; P65-V97 HydrophobicContact CB-CG2 3.87Å; P65-V97 HydrophobicContact CG-CG2 4.08Å; P65-W107 HydrophobicContact CB-CB 4.2Å; P65-W107 HydrophobicContact CB-CG 3.77Å
66V96.4Very high94.1Very high6 Ų660.8 Ų60.84%0.03630%0.296CS..  trans-115.4127.4169.4-178.90000108.1I38 M40 N51 L64 C68 G71 Q73I38-V66 HydrophobicContact CD1-CB 4.26Å; I38-V66 HydrophobicContact CD1-CG1 3.69Å; I38-V66 HydrophobicContact CD1-CG2 4.39Å; M40-V66 HydrophobicContact CE-CB 4.07Å; M40-V66 HydrophobicContact CE-CG2 3.65Å; N51-V66 PolarHBondContact ND2-O 3.24Å; L64-V66 PolarHBondContact O-N 2.75Å; V66-C68 PolarHBondContact O-N 3.05Å; V66-G71 WeakPolarHBondContact CG1-O 3.47Å; V66-Q73 HydrophobicContact CB-CG 4.36Å; V66-Q73 HydrophobicContact CG2-CG 3.58Å
67C96.7Very high93.3Very high0 Ų059.1 Ų59.10%030%0.298CS..  trans-63.1123.7176.9179.80000111.4P35 H69 C70 G71 K72 M96 W107 C109P35-C67 VanDerWaalsContact CB-O 3.3Å; P35-C67 WeakPolarHBondContact CB-O 3.35Å; C67-H69 PolarHBondContact O-N 3.06Å; C67-H69 VanDerWaalsContact O-N 3.17Å; C67-H69 PolarHBondContact SG-N 3.15Å; C67-H69 VanDerWaalsContact SG-N 3.44Å; C67-C70 VanDerWaalsContact CB-SG 3.51Å; C67-G71 VanDerWaalsContact O-CA 3.24Å; C67-G71 WeakPolarHBondContact O-CA 3.41Å; C67-G71 PolarHBondContact O-N 3.46Å; C67-K72 PolarHBondContact N-O 3.08Å; C67-M96 HydrophobicContact CB-CE 4.31Å; C67-W107 CarbonylContact C-O 3.55Å; C67-W107 VanDerWaalsContact CA-O 3.29Å; C67-W107 WeakPolarHBondContact CA-O 3.47Å; C67-C109 HydrophobicContact CB-CB 3.93Å; C67-C109 PolarHBondContact SG-N 2.99Å; C67-C109 VanDerWaalsContact SG-SG 3.69Å
68C96.5Very high92.6Very high0 Ų066 Ų660%032%0.321CS..THydrogen-bonded Turntrans-73.7-1.1-18064.40000115H34 S36 V66 A106 W107 I108 H118H34-C68 PolarHBondContact CE1-O 3.36Å; H34-C68 VanDerWaalsContact CE1-O 3.24Å; S36-C68 PolarHBondContact N-O 3.47Å; V66-C68 PolarHBondContact O-N 3.05Å; C68-A106 HydrophobicContact CB-CB 3.56Å; C68-W107 PolarHBondContact N-O 2.93Å; C68-W107 PolarHBondContact SG-O 2.98Å; C68-I108 VanDerWaalsContact SG-CG1 3.52Å; C68-H118 PolarHBondContact O-CE1 3.34Å; C68-H118 PolarHBondContact O-ND1 2.91Å; C68-H118 VanDerWaalsContact SG-CD2 3.58Å; C68-H118 PolarHBondContact SG-CE1 3.18Å; C68-H118 PolarHBondContact SG-NE2 3.09Å
69H95.4Very high91.6Very high40 Ų4066.6 Ų66.619%0.18533%0.325CS..THydrogen-bonded Turntrans-105.4-54.7171.4-175.169.6000112.4C67 C114 V117 H118C67-H69 PolarHBondContact O-N 3.06Å; C67-H69 VanDerWaalsContact O-N 3.17Å; C67-H69 PolarHBondContact SG-N 3.15Å; C67-H69 VanDerWaalsContact SG-N 3.44Å; H69-C114 HydrophobicContact CB-CB 4.05Å; H69-C114 VanDerWaalsContact CD2-SG 3.54Å; H69-V117 WeakPolarHBondContact CE1-CG2 3.35Å; H69-H118 HydrophobicContact CB-CB 3.94Å
70C94.5Very high90.9Very high44 Ų4463.6 Ų63.630%0.29733%0.33SS..THydrogen-bonded Turntrans-100.2-7-17468.50000114.7C67 K72C67-C70 VanDerWaalsContact CB-SG 3.51Å; C70-K72 HydrophobicContact CB-CG 4.34Å; C70-K72 PolarHBondContact O-N 3.36Å; C70-K72 VanDerWaalsContact O-N 3.14Å
71G94.7Very high90.5Very high32 Ų3265.1 Ų65.133%0.3334%0.337SS..  trans70.81.1-178.400000115.3V66 C67V66-G71 WeakPolarHBondContact CG1-O 3.47Å; C67-G71 VanDerWaalsContact O-CA 3.24Å; C67-G71 WeakPolarHBondContact O-CA 3.41Å; C67-G71 PolarHBondContact O-N 3.46Å
72K94.1Very high90.3Very high93 Ų9361.8 Ų61.840%0.40432%0.321SS..  trans-76.5141.2-179.4-60.6177.1-176.5173.10111.2C67 C70C67-K72 PolarHBondContact N-O 3.08Å; C70-K72 HydrophobicContact CB-CG 4.34Å; C70-K72 PolarHBondContact O-N 3.36Å; C70-K72 VanDerWaalsContact O-N 3.14Å
73Q93.9Very high90.3Very high115 Ų11566.1 Ų66.154%0.53734%0.344SS..SBendtrans-97.92.9168.3-68.8177.4-7.500112.9V66V66-Q73 HydrophobicContact CB-CG 4.36Å; V66-Q73 HydrophobicContact CG2-CG 3.58Å
74K92.8Very high90.4Very high112 Ų11259.6 Ų59.649%0.48733%0.328SS..EExtended strand (participates in β ladder)trans-147.9144.9176.167.2-175.1176.3-177.90112H90 V91 T92 M96K74-H90 HydrophobicContact CD-CB 4.42Å; K74-V91 CarbonylContact C-O 3.55Å; K74-V91 VanDerWaalsContact CA-O 3.22Å; K74-V91 WeakPolarHBondContact CA-O 3.09Å; K74-V91 WeakPolarHBondContact CB-O 3.03Å; K74-T92 HydrophobicContact CB-CG2 3.71Å; K74-M96 PolarHBondContact N-SD 3.36Å
75C92.4Very high90.3Very high6 Ų663.6 Ų63.64%0.04134%0.341CS..EExtended strand (participates in β ladder)trans-98.6146.1168.3-750000110.4H90 V91 M96 H110C75-H90 VanDerWaalsContact O-CA 3.28Å; C75-H90 WeakPolarHBondContact O-CA 3.29Å; C75-V91 PolarHBondContact N-O 2.84Å; C75-V91 PolarHBondContact O-N 3.35Å; C75-M96 HydrophobicContact CB-CB 4.21Å; C75-H110 WeakPolarHBondContact CB-NE2 3.49Å; C75-H110 PolarHBondContact SG-CD2 3.07Å; C75-H110 PolarHBondContact SG-NE2 2.98Å
76S89Confident89.9Confident22 Ų2265.2 Ų65.215%0.15435%0.348CS..EExtended strand (participates in β ladder)trans-131.5134.6-179.7-1760000110.5R78 S79 H90S76-R78 PolarHBondContact O-N 2.87Å; S76-R78 VanDerWaalsContact O-N 3.12Å; S76-R78 WeakPolarHBondContact OG-CB 3.47Å; S76-R78 PolarHBondContact OG-N 3.49Å; S76-S79 PolarHBondContact O-N 2.86Å; S76-H90 WeakPolarHBondContact CB-CE1 3.28Å; S76-H90 WeakPolarHBondContact CB-ND1 3.46Å; S76-H90 PolarHBondContact OG-CE1 2.69Å; S76-H90 PolarHBondContact OG-ND1 3.05Å
77A78.4Confident89.2Confident40 Ų4067.7 Ų67.733%0.33138%0.375SS..G310 helixtrans-61.7-22.5176.300000111.6S79 G80 H86 G87A77-S79 PolarHBondContact O-N 3.21Å; A77-G80 PolarHBondContact O-N 2.79Å; A77-H86 PolarHBondContact N-CE1 3.17Å; A77-G87 WeakPolarHBondContact CB-O 3.19Å
78R80.9Confident88.2Confident240 Ų24074.1 Ų74.191%0.90642%0.42SS*.G310 helixtrans-59.6-28.7174.6-171.1175.2-179.7-179.10.9113.1S76 G80S76-R78 PolarHBondContact O-N 2.87Å; S76-R78 VanDerWaalsContact O-N 3.12Å; S76-R78 WeakPolarHBondContact OG-CB 3.47Å; S76-R78 PolarHBondContact OG-N 3.49Å; R78-G80 VanDerWaalsContact C-N 3.34Å
79S75.4Confident87.7Confident63 Ų6376 Ų7644%0.44144%0.439SS..G310 helixtrans-76.6-23.4175.6-59.90000112.4S76 A77 D81S76-S79 PolarHBondContact O-N 2.86Å; A77-S79 PolarHBondContact O-N 3.21Å; S79-D81 WeakPolarHBondContact CB-OD1 3.35Å; S79-D81 PolarHBondContact O-N 3.12Å
80G79.8Confident87.5Confident68 Ų6879.1 Ų79.170%0.70145%0.453SS*.  trans67.2-0.5176.700000115.8A77 R78A77-G80 PolarHBondContact O-N 2.79Å; R78-G80 VanDerWaalsContact C-N 3.34Å
81D87.3Confident87.4Confident44 Ų4478.1 Ų78.124%0.23545%0.446CS..  trans-95-1.3-173.368.3-35.2000113.5S79 L83 G111 E112S79-D81 WeakPolarHBondContact CB-OD1 3.35Å; S79-D81 PolarHBondContact O-N 3.12Å; D81-L83 PolarHBondContact O-N 3.04Å; D81-G111 CarbonylContact O-C 3.49Å; D81-G111 WeakPolarHBondContact O-CA 3.44Å; D81-E112 VanDerWaalsContact O-CB 3.32Å; D81-E112 WeakPolarHBondContact O-CB 3.26Å; D81-E112 PolarHBondContact O-N 2.96Å
82C92.4Very high87.3Confident20 Ų2080.7 Ų80.714%0.13546%0.455CS..BIsolated β-bridgetrans-79.1123.3-174.2-63.50000111.7V84C82-V84 VanDerWaalsContact C-N 3.33Å
83L92.3Very high87.2Confident105 Ų10577.2 Ų77.255%0.5545%0.446SS..SBendtrans-67.9-34.3177.4-66.5-177.6000112.2D81 K85 H110 E112 L115D81-L83 PolarHBondContact O-N 3.04Å; L83-K85 PolarHBondContact O-N 2.94Å; L83-H110 WeakPolarHBondContact CB-O 3.36Å; L83-H110 PolarHBondContact N-O 3.38Å; L83-E112 HydrophobicContact CD2-CB 3.8Å; L83-E112 HydrophobicContact CD2-CG 4.01Å; L83-E112 HydrophobicContact CG-CB 4.08Å; L83-L115 HydrophobicContact CD1-CD1 3.56Å; L83-L115 HydrophobicContact CG-CD1 4.42Å
84V90.4Very high87.1Confident81 Ų8177 Ų7749%0.49145%0.448SS..SBendtrans-84.1110.1169.2-177.30000107.2C82 H86 H110C82-V84 VanDerWaalsContact C-N 3.33Å; V84-H86 PolarHBondContact O-CD2 2.95Å; V84-H86 PolarHBondContact O-N 3.12Å; V84-H110 HydrophobicContact CB-CB 4.47Å; V84-H110 WeakPolarHBondContact CB-ND1 3.31Å; V84-H110 HydrophobicContact CG2-CB 3.97Å
85K88.3Confident87.1Confident201 Ų20175 Ų7587%0.87445%0.448SS*.  trans-65.1128.2176.8-66.3-175.1179.4-179.30109.6L83L83-K85 PolarHBondContact O-N 2.94Å
86H86.5Confident87.1Confident37 Ų3774.8 Ų74.817%0.17145%0.446CS..  trans-129.9150.6168.84989.1000108.6A77 V84 G89 V91 H110A77-H86 PolarHBondContact N-CE1 3.17Å; V84-H86 PolarHBondContact O-CD2 2.95Å; V84-H86 PolarHBondContact O-N 3.12Å; H86-G89 PolarHBondContact ND1-O 2.76Å; H86-V91 HydrophobicContact CB-CG2 3.45Å; H86-V91 VanDerWaalsContact CB-CG2 3.45Å; H86-H110 AromaticContact CD2-CE1 3.86Å; H86-H110 AromaticContact CD2-NE2 3.77Å; H86-H110 AromaticContact NE2-NE2 3.53Å
87G80.5Confident87.4Confident59 Ų5975 Ų7561%0.60845%0.447SS*.  trans-66.6-154.1-176.200000113.3A77 G89A77-G87 WeakPolarHBondContact CB-O 3.19Å; G87-G89 PolarHBondContact O-N 3.47Å
88S77.1Confident88.2Confident135 Ų13575.1 Ų75.194%0.94445%0.452SS*.SBendtrans-61.9-6.717951.70000114.9
89G86.3Confident89Confident38 Ų3865.4 Ų65.439%0.39242%0.423SS..SBendtrans-82.5174.618000000115.5H86 G87H86-G89 PolarHBondContact ND1-O 2.76Å; G87-G89 PolarHBondContact O-N 3.47Å
90H90.5Very high90Very high106 Ų10665.3 Ų65.349%0.49142%0.417SS..EExtended strand (participates in β ladder)trans-97150.6165.8-63.1-69.7000110.2K74 C75 S76K74-H90 HydrophobicContact CD-CB 4.42Å; C75-H90 VanDerWaalsContact O-CA 3.28Å; C75-H90 WeakPolarHBondContact O-CA 3.29Å; S76-H90 WeakPolarHBondContact CB-CE1 3.28Å; S76-H90 WeakPolarHBondContact CB-ND1 3.46Å; S76-H90 PolarHBondContact OG-CE1 2.69Å; S76-H90 PolarHBondContact OG-ND1 3.05Å
91V92.6Very high90.8Very high23 Ų2362.2 Ų62.214%0.13938%0.384CS..EExtended strand (participates in β ladder)trans-115.9135176-177.20000108.4K74 C75 H86 S95 M96K74-V91 CarbonylContact C-O 3.55Å; K74-V91 VanDerWaalsContact CA-O 3.22Å; K74-V91 WeakPolarHBondContact CA-O 3.09Å; K74-V91 WeakPolarHBondContact CB-O 3.03Å; C75-V91 PolarHBondContact N-O 2.84Å; C75-V91 PolarHBondContact O-N 3.35Å; H86-V91 HydrophobicContact CB-CG2 3.45Å; H86-V91 VanDerWaalsContact CB-CG2 3.45Å; V91-S95 VanDerWaalsContact CG1-O 3.31Å; V91-S95 WeakPolarHBondContact CG1-O 3.37Å; V91-S95 WeakPolarHBondContact CG1-OG 3.3Å; V91-M96 HydrophobicContact CG1-CB 4.24Å
92T92.6Very high91.1Very high86 Ų8666.8 Ų66.853%0.52841%0.409SS..EExtended strand (participates in β ladder)trans-137159.5-172.951.90000111.1K74 S95K74-T92 HydrophobicContact CB-CG2 3.71Å; T92-S95 PolarHBondContact O-OG 3.49Å
93G92.2Very high91.1Very high21 Ų2168.6 Ų68.622%0.21641%0.414CS..G310 helixtrans70.6-148.2-179.800000111.5P65 S95 M96P65-G93 VanDerWaalsContact CG-C 3.47Å; P65-G93 VanDerWaalsContact CG-O 3.32Å; P65-G93 WeakPolarHBondContact CG-O 3.23Å; G93-S95 PolarHBondContact O-N 3.37Å; G93-M96 WeakPolarHBondContact O-CG 3.44Å; G93-M96 PolarHBondContact O-N 3.12Å
94L92.1Very high91.2Very high109 Ų10963.6 Ų63.657%0.57139%0.388SS*.G310 helixtrans-64-23.3-175.6-66.9176.7000113.8M96 V97 W107L94-M96 PolarHBondContact O-N 3.26Å; L94-V97 HydrophobicContact CD2-CG2 4.43Å; L94-V97 WeakPolarHBondContact O-CB 3.36Å; L94-V97 PolarHBondContact O-N 3.18Å; L94-W107 HydrophobicContact CD2-CH2 4.3Å; L94-W107 HydrophobicContact CD2-CZ2 4.15Å
95S91.9Very high91.4Very high70 Ų7061.5 Ų61.549%0.4937%0.374SS..G310 helixtrans-70.2-18.9179.350.90000113.4V91 T92 G93 H110V91-S95 VanDerWaalsContact CG1-O 3.31Å; V91-S95 WeakPolarHBondContact CG1-O 3.37Å; V91-S95 WeakPolarHBondContact CG1-OG 3.3Å; T92-S95 PolarHBondContact O-OG 3.49Å; G93-S95 PolarHBondContact O-N 3.37Å; S95-H110 PolarHBondContact O-CE1 3.48Å; S95-H110 VanDerWaalsContact O-CE1 3.32Å; S95-H110 PolarHBondContact O-ND1 2.82Å
96M93.3Very high91.8Very high2 Ų252 Ų521%0.0133%0.333CS..G310 helixtrans-89.6-11.8173.366.3149.8-68.200113.6P65 C67 K74 C75 V91 G93 L94 C109 H110P65-M96 HydrophobicContact CG-CG 4.49Å; C67-M96 HydrophobicContact CB-CE 4.31Å; K74-M96 PolarHBondContact N-SD 3.36Å; C75-M96 HydrophobicContact CB-CB 4.21Å; V91-M96 HydrophobicContact CG1-CB 4.24Å; G93-M96 WeakPolarHBondContact O-CG 3.44Å; G93-M96 PolarHBondContact O-N 3.12Å; L94-M96 PolarHBondContact O-N 3.26Å; M96-C109 HydrophobicContact CE-CB 3.26Å; M96-C109 CarbonylContact O-C 3.46Å; M96-C109 WeakPolarHBondContact O-CA 3.41Å; M96-C109 WeakPolarHBondContact O-CB 3.14Å; M96-H110 PolarHBondContact O-N 3.34Å
97V95.1Very high92.3Very high28 Ų2851.2 Ų51.217%0.1733%0.329CS..EExtended strand (participates in β ladder)trans-75.6133.6-178.2174.40000109.4P65 L94 W107P65-V97 HydrophobicContact CB-CG2 3.87Å; P65-V97 HydrophobicContact CG-CG2 4.08Å; L94-V97 HydrophobicContact CD2-CG2 4.43Å; L94-V97 WeakPolarHBondContact O-CB 3.36Å; L94-V97 PolarHBondContact O-N 3.18Å; V97-W107 HydrophobicContact CB-CE3 4.25Å; V97-W107 HydrophobicContact CG1-CD2 4Å; V97-W107 HydrophobicContact CG1-CE3 3.21Å; V97-W107 HydrophobicContact CG1-CZ3 3.59Å; V97-W107 HydrophobicContact CG2-CB 4.31Å; V97-W107 HydrophobicContact CG2-CD2 3.97Å; V97-W107 HydrophobicContact CG2-CE3 4.02Å; V97-W107 HydrophobicContact CG2-CG 4.14Å
98G95.5Very high93.1Very high41 Ų4148.8 Ų48.842%0.42330%0.301SS..EExtended strand (participates in β ladder)trans-110.4-33.1174.100000113.6I108G98-I108 PolarHBondContact N-O 3.47Å
99A96.7Very high94Very high36 Ų3642.5 Ų42.530%0.29826%0.258SS..EExtended strand (participates in β ladder)trans-159.8173.1-179.900000111.5I108 L115A99-I108 HydrophobicContact CB-CB 4.39Å; A99-I108 HydrophobicContact CB-CD1 4.32Å; A99-I108 PolarHBondContact N-O 3.16Å; A99-I108 PolarHBondContact O-N 3.22Å; A99-L115 HydrophobicContact CB-CD2 3.49Å; A99-L115 VanDerWaalsContact CB-CD2 3.49Å
100I96.8Very high94.4Very high62 Ų6240.8 Ų40.832%0.31824%0.239SC..EExtended strand (participates in β ladder)trans-110.2139.7164.3-61163.9000107A53 F54 W107A53-I100 HydrophobicContact CB-CD1 4.14Å; A53-I100 HydrophobicContact CB-CG1 4.05Å; A53-I100 HydrophobicContact CB-CG2 4.2Å; F54-I100 HydrophobicContact CE2-CD1 3.66Å; F54-I100 HydrophobicContact CZ-CD1 3.87Å; I100-W107 HydrophobicContact CD1-CE3 4.14Å; I100-W107 HydrophobicContact CD1-CH2 3.94Å; I100-W107 HydrophobicContact CD1-CZ3 3.48Å; I100-W107 VanDerWaalsContact CD1-CZ3 3.48Å; I100-W107 HydrophobicContact CG1-CD2 4.45Å; I100-W107 HydrophobicContact CG1-CE3 3.41Å; I100-W107 VanDerWaalsContact CG1-CE3 3.41Å; I100-W107 HydrophobicContact CG1-CH2 4.14Å; I100-W107 HydrophobicContact CG1-CZ3 3.24Å
101C96.2Very high94.6Very high3 Ų335.8 Ų35.82%0.0222%0.216CC..  trans-83.3120.6172.9-176.40000110.6F103 C104 D105 A106 I108 H118C101-F103 PolarHBondContact O-N 3.4Å; C101-F103 VanDerWaalsContact O-N 3.08Å; C101-C104 WeakPolarHBondContact CB-SG 3.37Å; C101-C104 PolarHBondContact O-N 3.35Å; C101-C104 VanDerWaalsContact SG-SG 3.7Å; C101-D105 VanDerWaalsContact O-CA 3.27Å; C101-D105 WeakPolarHBondContact O-CA 3.12Å; C101-D105 PolarHBondContact O-N 2.99Å; C101-A106 PolarHBondContact N-O 3.45Å; C101-I108 HydrophobicContact CB-CD1 3.9Å; C101-I108 HydrophobicContact CB-CG1 4.18Å; C101-H118 PolarHBondContact SG-CD2 2.61Å; C101-H118 PolarHBondContact SG-NE2 3.29Å
102D93Very high94.6Very high140 Ų14040.3 Ų40.375%0.74924%0.236SC*.THydrogen-bonded Turntrans-62.8-13.9176.9-59.1-20.1000114.3
103F93.4Very high94.7Very high57 Ų5742.8 Ų42.825%0.2524%0.239CC..THydrogen-bonded Turntrans-90.8-48.9179.7-58.4-57.7000112.3C101 A119 C122 R125 L136C101-F103 PolarHBondContact O-N 3.4Å; C101-F103 VanDerWaalsContact O-N 3.08Å; F103-A119 HydrophobicContact CE2-CB 4.24Å; F103-C122 HydrophobicContact CB-CB 4.18Å; F103-C122 HydrophobicContact CD2-CB 4.09Å; F103-C122 HydrophobicContact CG-CB 4.47Å; F103-R125 HydrophobicContact CB-CB 4.34Å; F103-R125 HydrophobicContact CD1-CB 4.05Å; F103-R125 HydrophobicContact CD1-CG 3.74Å; F103-R125 HydrophobicContact CD2-CB 4.44Å; F103-R125 HydrophobicContact CE1-CG 3.93Å; F103-R125 HydrophobicContact CG-CB 3.97Å; F103-R125 HydrophobicContact CG-CG 4.09Å; F103-R125 HydrophobicContact CZ-CG 4.45Å; F103-L136 WeakPolarHBondContact O-CD1 3.32Å
104C94.4Very high94.8Very high0 Ų042 Ų420%023%0.23CC..THydrogen-bonded Turntrans-102.7-0.7-175.7670000113.6K50 C101 A106 H118 L124K50-C104 PolarHBondContact NZ-O 3.29Å; C101-C104 WeakPolarHBondContact CB-SG 3.37Å; C101-C104 PolarHBondContact O-N 3.35Å; C101-C104 VanDerWaalsContact SG-SG 3.7Å; C104-A106 PolarHBondContact O-N 2.76Å; C104-A106 VanDerWaalsContact O-N 3.11Å; C104-H118 PolarHBondContact SG-NE2 3.42Å; C104-H118 VanDerWaalsContact SG-NE2 3.4Å; C104-L124 HydrophobicContact CB-CB 4.03Å; C104-L124 HydrophobicContact CB-CD1 3.67Å; C104-L124 HydrophobicContact CB-CG 4.42Å
105D94.6Very high95Very high38 Ų3839 Ų3920%0.20322%0.215CC..  trans5228-176.5-66.2-17.9000113.7R52 A53 C101R52-D105 CarbonylContact C-O 3.6Å; R52-D105 VanDerWaalsContact CA-O 3.3Å; R52-D105 WeakPolarHBondContact CA-O 3.44Å; R52-D105 HydrophobicContact CG-CB 4.48Å; R52-D105 IonicContact CZ-OD2 3.28Å; R52-D105 VanDerWaalsContact CZ-OD2 3.28Å; R52-D105 IonicContact NH1-OD2 3.23Å; R52-D105 PolarHBondContact NH1-OD2 3.35Å; R52-D105 IonicContact NH2-OD2 2.66Å; R52-D105 PolarHBondContact NH2-OD2 2.86Å; A53-D105 WeakPolarHBondContact CB-O 3.45Å; A53-D105 PolarHBondContact N-O 3.45Å; C101-D105 VanDerWaalsContact O-CA 3.27Å; C101-D105 WeakPolarHBondContact O-CA 3.12Å; C101-D105 PolarHBondContact O-N 2.99Å
106A95.9Very high95Very high0 Ų039.5 Ų39.50%022%0.219CC..  trans-116158-176.100000111.8N51 C68 C101 C104N51-A106 WeakPolarHBondContact O-CB 3.44Å; C68-A106 HydrophobicContact CB-CB 3.56Å; C101-A106 PolarHBondContact N-O 3.45Å; C104-A106 PolarHBondContact O-N 2.76Å; C104-A106 VanDerWaalsContact O-N 3.11Å
107W97.1Very high95Very high22 Ų2240.7 Ų40.78%0.08323%0.226CC..EExtended strand (participates in β ladder)trans-66.2135-179.5-62.7118.1000112.3A53 I61 P65 C67 C68 L94 V97 I100A53-W107 HydrophobicContact CB-CD2 3.65Å; A53-W107 VanDerWaalsContact CB-CE2 3.45Å; A53-W107 HydrophobicContact CB-CE3 3.98Å; A53-W107 HydrophobicContact CB-CG 4.19Å; A53-W107 HydrophobicContact CB-CH2 4Å; A53-W107 HydrophobicContact CB-CZ2 3.63Å; A53-W107 HydrophobicContact CB-CZ3 4.17Å; I61-W107 HydrophobicContact CG2-CZ2 4.05Å; P65-W107 HydrophobicContact CB-CB 4.2Å; P65-W107 HydrophobicContact CB-CG 3.77Å; C67-W107 CarbonylContact C-O 3.55Å; C67-W107 VanDerWaalsContact CA-O 3.29Å; C67-W107 WeakPolarHBondContact CA-O 3.47Å; C68-W107 PolarHBondContact N-O 2.93Å; C68-W107 PolarHBondContact SG-O 2.98Å; L94-W107 HydrophobicContact CD2-CH2 4.3Å; L94-W107 HydrophobicContact CD2-CZ2 4.15Å; V97-W107 HydrophobicContact CB-CE3 4.25Å; V97-W107 HydrophobicContact CG1-CD2 4Å; V97-W107 HydrophobicContact CG1-CE3 3.21Å; V97-W107 HydrophobicContact CG1-CZ3 3.59Å; V97-W107 HydrophobicContact CG2-CB 4.31Å; V97-W107 HydrophobicContact CG2-CD2 3.97Å; V97-W107 HydrophobicContact CG2-CE3 4.02Å; V97-W107 HydrophobicContact CG2-CG 4.14Å; I100-W107 HydrophobicContact CD1-CE3 4.14Å; I100-W107 HydrophobicContact CD1-CH2 3.94Å; I100-W107 HydrophobicContact CD1-CZ3 3.48Å; I100-W107 VanDerWaalsContact CD1-CZ3 3.48Å; I100-W107 HydrophobicContact CG1-CD2 4.45Å; I100-W107 HydrophobicContact CG1-CE3 3.41Å; I100-W107 VanDerWaalsContact CG1-CE3 3.41Å; I100-W107 HydrophobicContact CG1-CH2 4.14Å; I100-W107 HydrophobicContact CG1-CZ3 3.24Å
108I97.2Very high94.9Very high7 Ų739.4 Ų39.44%0.03622%0.218CC..EExtended strand (participates in β ladder)trans-105.6131.2165.5-53.3168.2000106.9C68 G98 A99 C101 C114 L115 H118C68-I108 VanDerWaalsContact SG-CG1 3.52Å; G98-I108 PolarHBondContact N-O 3.47Å; A99-I108 HydrophobicContact CB-CB 4.39Å; A99-I108 HydrophobicContact CB-CD1 4.32Å; A99-I108 PolarHBondContact N-O 3.16Å; A99-I108 PolarHBondContact O-N 3.22Å; C101-I108 HydrophobicContact CB-CD1 3.9Å; C101-I108 HydrophobicContact CB-CG1 4.18Å; I108-C114 HydrophobicContact CG2-CB 3.77Å; I108-L115 HydrophobicContact CB-CD2 4.21Å; I108-L115 HydrophobicContact CG2-CD2 3.86Å; I108-L115 HydrophobicContact CG2-CG 4.22Å; I108-H118 HydrophobicContact CD1-CB 4.13Å; I108-H118 HydrophobicContact CG1-CB 4.4Å
109C96.1Very high94.7Very high4 Ų439.3 Ų39.33%0.02721%0.213CC..EExtended strand (participates in β ladder)trans-70162.4175.373.20000111.3C67 M96 G111 C114 L115C67-C109 HydrophobicContact CB-CB 3.93Å; C67-C109 PolarHBondContact SG-N 2.99Å; C67-C109 VanDerWaalsContact SG-SG 3.69Å; M96-C109 HydrophobicContact CE-CB 3.26Å; M96-C109 CarbonylContact O-C 3.46Å; M96-C109 WeakPolarHBondContact O-CA 3.41Å; M96-C109 WeakPolarHBondContact O-CB 3.14Å; C109-G111 PolarHBondContact O-N 2.67Å; C109-C114 PolarHBondContact SG-SG 3.14Å; C109-L115 WeakPolarHBondContact O-CG 3.21Å
110H94.9Very high94.4Very high1 Ų141.1 Ų41.11%0.00522%0.223CC..SBendtrans-72.611178.260-151.8000115.2C75 L83 V84 H86 S95 M96 E112C75-H110 WeakPolarHBondContact CB-NE2 3.49Å; C75-H110 PolarHBondContact SG-CD2 3.07Å; C75-H110 PolarHBondContact SG-NE2 2.98Å; L83-H110 WeakPolarHBondContact CB-O 3.36Å; L83-H110 PolarHBondContact N-O 3.38Å; V84-H110 HydrophobicContact CB-CB 4.47Å; V84-H110 WeakPolarHBondContact CB-ND1 3.31Å; V84-H110 HydrophobicContact CG2-CB 3.97Å; H86-H110 AromaticContact CD2-CE1 3.86Å; H86-H110 AromaticContact CD2-NE2 3.77Å; H86-H110 AromaticContact NE2-NE2 3.53Å; S95-H110 PolarHBondContact O-CE1 3.48Å; S95-H110 VanDerWaalsContact O-CE1 3.32Å; S95-H110 PolarHBondContact O-ND1 2.82Å; M96-H110 PolarHBondContact O-N 3.34Å; H110-E112 PolarHBondContact O-N 3.22Å
111G94.2Very high94.1Very high1 Ų141.5 Ų41.51%0.0122%0.223CC..BIsolated β-bridgetrans-65.7126.9172.700000109.7D81 C109 K113 C114 L115D81-G111 CarbonylContact O-C 3.49Å; D81-G111 WeakPolarHBondContact O-CA 3.44Å; C109-G111 PolarHBondContact O-N 2.67Å; G111-K113 PolarHBondContact O-N 2.77Å; G111-C114 WeakPolarHBondContact O-CB 3.19Å; G111-C114 PolarHBondContact O-N 2.94Å; G111-L115 PolarHBondContact O-N 3.26Å
112E94.1Very high93.9Very high118 Ų11841.7 Ų41.755%0.55122%0.224SC*.Hα-helixtrans-50.9-44.6-179.3-177.6-179.7-179.900111D81 L83 H110 C114 S116D81-E112 VanDerWaalsContact O-CB 3.32Å; D81-E112 WeakPolarHBondContact O-CB 3.26Å; D81-E112 PolarHBondContact O-N 2.96Å; L83-E112 HydrophobicContact CD2-CB 3.8Å; L83-E112 HydrophobicContact CD2-CG 4.01Å; L83-E112 HydrophobicContact CG-CB 4.08Å; H110-E112 PolarHBondContact O-N 3.22Å; E112-C114 PolarHBondContact O-N 3.32Å; E112-S116 WeakPolarHBondContact O-CB 3.35Å; E112-S116 PolarHBondContact O-N 3.12Å; E112-S116 PolarHBondContact O-OG 3.27Å
113K93.4Very high93.8Very high138 Ų13835.7 Ų35.760%0.619%0.193SC*.Hα-helixtrans-59.2-48.6175.6-176.1179176.8-178.10111.4G111 S116 V117G111-K113 PolarHBondContact O-N 2.77Å; K113-S116 PolarHBondContact O-OG 3.08Å; K113-V117 WeakPolarHBondContact O-CG2 3.47Å; K113-V117 PolarHBondContact O-N 3.06Å
114C95.4Very high93.8Very high4 Ų433 Ų333%0.02718%0.181CC..Hα-helixtrans-65.3-46.5-176.6-58.90000111.6H69 I108 C109 G111 E112 H118H69-C114 HydrophobicContact CB-CB 4.05Å; H69-C114 VanDerWaalsContact CD2-SG 3.54Å; I108-C114 HydrophobicContact CG2-CB 3.77Å; C109-C114 PolarHBondContact SG-SG 3.14Å; G111-C114 WeakPolarHBondContact O-CB 3.19Å; G111-C114 PolarHBondContact O-N 2.94Å; E112-C114 PolarHBondContact O-N 3.32Å; C114-H118 WeakPolarHBondContact O-CB 3.37Å; C114-H118 PolarHBondContact O-N 3.14Å; C114-H118 VanDerWaalsContact O-N 3.08Å
115L94.9Very high93.6Very high48 Ų4835.9 Ų35.925%0.25119%0.192SC..Hα-helixtrans-65.4-41.3179.6-75.6171.1000112.8L83 A99 I108 C109 G111L83-L115 HydrophobicContact CD1-CD1 3.56Å; L83-L115 HydrophobicContact CG-CD1 4.42Å; A99-L115 HydrophobicContact CB-CD2 3.49Å; A99-L115 VanDerWaalsContact CB-CD2 3.49Å; I108-L115 HydrophobicContact CB-CD2 4.21Å; I108-L115 HydrophobicContact CG2-CD2 3.86Å; I108-L115 HydrophobicContact CG2-CG 4.22Å; C109-L115 WeakPolarHBondContact O-CG 3.21Å; G111-L115 PolarHBondContact O-N 3.26Å
116S93Very high93.2Very high80 Ų8039.1 Ų39.156%0.55921%0.21SC*.Hα-helixtrans-74.5-26.7-174.859.30000113.9E112 K113E112-S116 WeakPolarHBondContact O-CB 3.35Å; E112-S116 PolarHBondContact O-N 3.12Å; E112-S116 PolarHBondContact O-OG 3.27Å; K113-S116 PolarHBondContact O-OG 3.08Å
117V92Very high93Very high27 Ų2739.4 Ų39.416%0.16421%0.212CC..Hα-helixtrans-112.9-32-172.1-48.40000114.6H69 K113 A119 C120 E121H69-V117 WeakPolarHBondContact CE1-CG2 3.35Å; K113-V117 WeakPolarHBondContact O-CG2 3.47Å; K113-V117 PolarHBondContact O-N 3.06Å; V117-A119 PolarHBondContact O-N 2.72Å; V117-C120 PolarHBondContact O-N 2.93Å; V117-C120 VanDerWaalsContact O-N 3.12Å; V117-E121 PolarHBondContact O-N 3.08Å
118H93.8Very high92.8Very high1 Ų142 Ų421%0.00523%0.23CC..Hα-helixtrans-58.7-47.2-166.1178.376.1000112.6C68 H69 C101 C104 I108 C114 C120 E121 C122C68-H118 PolarHBondContact O-CE1 3.34Å; C68-H118 PolarHBondContact O-ND1 2.91Å; C68-H118 VanDerWaalsContact SG-CD2 3.58Å; C68-H118 PolarHBondContact SG-CE1 3.18Å; C68-H118 PolarHBondContact SG-NE2 3.09Å; H69-H118 HydrophobicContact CB-CB 3.94Å; C101-H118 PolarHBondContact SG-CD2 2.61Å; C101-H118 PolarHBondContact SG-NE2 3.29Å; C104-H118 PolarHBondContact SG-NE2 3.42Å; C104-H118 VanDerWaalsContact SG-NE2 3.4Å; I108-H118 HydrophobicContact CD1-CB 4.13Å; I108-H118 HydrophobicContact CG1-CB 4.4Å; C114-H118 WeakPolarHBondContact O-CB 3.37Å; C114-H118 PolarHBondContact O-N 3.14Å; C114-H118 VanDerWaalsContact O-N 3.08Å; H118-C120 VanDerWaalsContact C-N 3.3Å; H118-C120 PolarHBondContact O-N 3.27Å; H118-E121 CarbonylContact O-C 3.52Å; H118-E121 PolarHBondContact O-N 3.44Å; H118-E121 VanDerWaalsContact O-N 3.14Å; H118-C122 PolarHBondContact NE2-SG 2.82Å; H118-C122 VanDerWaalsContact NE2-SG 3.44Å; H118-C122 WeakPolarHBondContact O-CA 3.18Å; H118-C122 WeakPolarHBondContact O-CB 3.28Å; H118-C122 PolarHBondContact O-N 3.35Å
119A91.4Very high92.7Very high39 Ų3941.8 Ų41.832%0.32223%0.229SC..Hα-helixtrans-53.7-52-179.500000109.8F103 V117 E121 C122 R125F103-A119 HydrophobicContact CE2-CB 4.24Å; V117-A119 PolarHBondContact O-N 2.72Å; A119-E121 VanDerWaalsContact C-N 3.32Å; A119-E121 PolarHBondContact O-N 3.3Å; A119-C122 PolarHBondContact O-N 3.12Å; A119-R125 PolarHBondContact O-NH2 3.18Å
120C89.9Confident92.6Very high73 Ų7344.3 Ų44.349%0.49324%0.244SC..Hα-helixtrans-60.4-35.8179.8-680000114.3L22 V117 H118L22-C120 HydrophobicContact CD1-CB 4.17Å; V117-C120 PolarHBondContact O-N 2.93Å; V117-C120 VanDerWaalsContact O-N 3.12Å; H118-C120 VanDerWaalsContact C-N 3.3Å; H118-C120 PolarHBondContact O-N 3.27Å
121E90.5Very high92.6Very high71 Ų7148.5 Ų48.533%0.33226%0.264SS..Hα-helixtrans-101.42-173.8-63.3179.3-179.100113.5L22 V117 H118 A119 P123L22-E121 HydrophobicContact CD1-CG 4.13Å; L22-E121 HydrophobicContact CD2-CG 3.95Å; V117-E121 PolarHBondContact O-N 3.08Å; H118-E121 CarbonylContact O-C 3.52Å; H118-E121 PolarHBondContact O-N 3.44Å; H118-E121 VanDerWaalsContact O-N 3.14Å; A119-E121 VanDerWaalsContact C-N 3.32Å; A119-E121 PolarHBondContact O-N 3.3Å; E121-P123 WeakPolarHBondContact O-CD 3.47Å; E121-P123 VanDerWaalsContact O-N 3.08Å
122C92.8Very high92.6Very high6 Ų650.5 Ų50.54%0.04128%0.277CS..  trans-57.3116.6-174-1700000110.3F103 H118 A119 L124 R125F103-C122 HydrophobicContact CB-CB 4.18Å; F103-C122 HydrophobicContact CD2-CB 4.09Å; F103-C122 HydrophobicContact CG-CB 4.47Å; H118-C122 PolarHBondContact NE2-SG 2.82Å; H118-C122 VanDerWaalsContact NE2-SG 3.44Å; H118-C122 WeakPolarHBondContact O-CA 3.18Å; H118-C122 WeakPolarHBondContact O-CB 3.28Å; H118-C122 PolarHBondContact O-N 3.35Å; A119-C122 PolarHBondContact O-N 3.12Å; C122-L124 PolarHBondContact O-N 3.2Å; C122-L124 VanDerWaalsContact O-N 3.08Å; C122-R125 WeakPolarHBondContact O-CB 3.46Å; C122-R125 PolarHBondContact O-N 3.38Å; C122-R125 VanDerWaalsContact O-N 3.14Å
123P91.4Very high92.6Very high14 Ų1452.7 Ų52.79%0.09129%0.287CS..THydrogen-bonded Turntrans-68.2-12.9-176.627.9-35.4000112.7I29 L31 H34 E121I29-P123 HydrophobicContact CB-CB 4.43Å; I29-P123 HydrophobicContact CD1-CB 4.11Å; I29-P123 HydrophobicContact CG2-CB 4.22Å; I29-P123 HydrophobicContact CG2-CG 4.43Å; L31-P123 HydrophobicContact CD1-CB 3.97Å; L31-P123 HydrophobicContact CD1-CG 4.08Å; H34-P123 HydrophobicContact CB-CG 4.42Å; H34-P123 WeakPolarHBondContact ND1-CG 3.3Å; E121-P123 WeakPolarHBondContact O-CD 3.47Å; E121-P123 VanDerWaalsContact O-N 3.08Å
124L92.6Very high92.6Very high0 Ų050 Ų500%027%0.273CS..THydrogen-bonded Turntrans-95.1-5.4-178.9-72.4-173.9000113.4L31 N37 K50 C104 C122 D126 A127 L136 V143L31-L124 HydrophobicContact CD1-CD2 3.78Å; L31-L124 HydrophobicContact CD1-CG 4.3Å; L31-L124 HydrophobicContact CD2-CD2 4.47Å; N37-L124 HydrophobicContact CB-CD1 4.49Å; K50-L124 HydrophobicContact CD-CD1 4.34Å; C104-L124 HydrophobicContact CB-CB 4.03Å; C104-L124 HydrophobicContact CB-CD1 3.67Å; C104-L124 HydrophobicContact CB-CG 4.42Å; C122-L124 PolarHBondContact O-N 3.2Å; C122-L124 VanDerWaalsContact O-N 3.08Å; L124-D126 VanDerWaalsContact C-N 3.34Å; L124-D126 PolarHBondContact O-N 2.76Å; L124-A127 HydrophobicContact CD2-CB 4.03Å; L124-A127 WeakPolarHBondContact O-CB 3.41Å; L124-A127 PolarHBondContact O-N 3.48Å; L124-A127 VanDerWaalsContact O-N 3.09Å; L124-L136 HydrophobicContact CB-CD1 3.63Å; L124-L136 HydrophobicContact CD1-CD2 4.27Å; L124-L136 HydrophobicContact CD2-CD2 4.21Å; L124-L136 HydrophobicContact CG-CD1 4.44Å; L124-L136 WeakPolarHBondContact O-CD1 3.39Å; L124-V143 HydrophobicContact CD2-CB 3.82Å; L124-V143 HydrophobicContact CD2-CG1 4.2Å; L124-V143 HydrophobicContact CD2-CG2 3.79Å
125R89.8Confident92.4Very high61 Ų6151 Ų5123%0.2328%0.284CS..THydrogen-bonded Turntrans-47.9-48-177.2175-173.1-73.9-82.12.4115.5F103 A119 C122F103-R125 HydrophobicContact CB-CB 4.34Å; F103-R125 HydrophobicContact CD1-CB 4.05Å; F103-R125 HydrophobicContact CD1-CG 3.74Å; F103-R125 HydrophobicContact CD2-CB 4.44Å; F103-R125 HydrophobicContact CE1-CG 3.93Å; F103-R125 HydrophobicContact CG-CB 3.97Å; F103-R125 HydrophobicContact CG-CG 4.09Å; F103-R125 HydrophobicContact CZ-CG 4.45Å; A119-R125 PolarHBondContact O-NH2 3.18Å; C122-R125 WeakPolarHBondContact O-CB 3.46Å; C122-R125 PolarHBondContact O-N 3.38Å; C122-R125 VanDerWaalsContact O-N 3.14Å
126D87.3Confident92.2Very high107 Ų10749.3 Ų49.357%0.57228%0.275SS*.THydrogen-bonded Turntrans-112.122.9-175.9-57.8-46.7000110.3R23 L124 V128R23-D126 IonicContact NE-OD2 2.89Å; L124-D126 VanDerWaalsContact C-N 3.34Å; L124-D126 PolarHBondContact O-N 2.76Å; D126-V128 PolarHBondContact O-N 3.1Å
127A91.2Very high91.9Very high6 Ų650.1 Ų50.15%0.0528%0.281CS..  trans-78113.7-176.600000110.8L124 L136 V143 K152L124-A127 HydrophobicContact CD2-CB 4.03Å; L124-A127 WeakPolarHBondContact O-CB 3.41Å; L124-A127 PolarHBondContact O-N 3.48Å; L124-A127 VanDerWaalsContact O-N 3.09Å; A127-L136 HydrophobicContact CB-CD1 4.1Å; A127-L136 HydrophobicContact CB-CG 4.34Å; A127-V143 HydrophobicContact CB-CG1 4.35Å; A127-K152 HydrophobicContact CB-CB 4.45Å; A127-K152 HydrophobicContact CB-CG 4.25Å
128V93.7Very high91.8Very high77 Ų7751.6 Ų51.647%0.46729%0.292SS..BIsolated β-bridgetrans-129.1134.2172.9179.10000106.5D126 V130 E133D126-V128 PolarHBondContact O-N 3.1Å; V128-V130 PolarHBondContact O-N 2.99Å; V128-E133 WeakPolarHBondContact CG1-O 3.49Å
129C95.2Very high91.7Very high2 Ų251.8 Ų51.81%0.01429%0.293CS..  trans-65.7129.5174.4-170.10000109.5E131 C132 E133 R134 K152 C154 D157C129-E131 VanDerWaalsContact C-N 3.28Å; C129-E131 PolarHBondContact O-N 2.97Å; C129-C132 WeakPolarHBondContact CB-SG 3.39Å; C129-E133 WeakPolarHBondContact O-CA 3.48Å; C129-E133 PolarHBondContact O-N 3.41Å; C129-R134 PolarHBondContact N-O 3.44Å; C129-K152 WeakPolarHBondContact CA-O 3.26Å; C129-C154 HydrophobicContact CB-CB 4.37Å; C129-C154 PolarHBondContact SG-N 2.84Å; C129-C154 VanDerWaalsContact SG-N 3.38Å; C129-D157 PolarHBondContact SG-OD2 3.06Å
130V93.7Very high91.7Very high56 Ų5650.1 Ų50.134%0.33928%0.279SS..THydrogen-bonded Turntrans-71.8-21.9179.167.30000113.4V128 H151 K152 L153V128-V130 PolarHBondContact O-N 2.99Å; V130-H151 HydrophobicContact CB-CB 3.96Å; V130-H151 HydrophobicContact CG1-CB 3.76Å; V130-H151 HydrophobicContact CG2-CB 4.38Å; V130-K152 PolarHBondContact N-O 3.4Å; V130-L153 HydrophobicContact CG1-CD2 3.63Å
131E93.9Very high91.8Very high90 Ų9047.2 Ų47.242%0.42126%0.262SS..THydrogen-bonded Turntrans-88.6-56.7-179.1-63.1-55.6137.800111.9C129 L153 D157 H161C129-E131 VanDerWaalsContact C-N 3.28Å; C129-E131 PolarHBondContact O-N 2.97Å; E131-L153 HydrophobicContact CG-CD2 4.02Å; E131-D157 HydrophobicContact CB-CB 3.96Å; E131-D157 HydrophobicContact CG-CB 4.18Å; E131-H161 HydrophobicContact CG-CB 4.12Å; E131-H161 IonicContact OE1-CE1 2.67Å; E131-H161 PolarHBondContact OE1-CE1 3.12Å; E131-H161 IonicContact OE1-CG 3.35Å; E131-H161 IonicContact OE1-ND1 2.65Å; E131-H161 PolarHBondContact OE1-ND1 3.29Å
132C94.7Very high92.1Very high43 Ų4346.6 Ų46.629%0.29126%0.257SS..THydrogen-bonded Turntrans-92.1-0.1-17965.90000115.2C129 R134 D157C129-C132 WeakPolarHBondContact CB-SG 3.39Å; C132-R134 HydrophobicContact CB-CG 4.3Å; C132-R134 PolarHBondContact O-N 3.17Å; C132-R134 PolarHBondContact SG-NE 3.4Å; C132-D157 WeakPolarHBondContact CB-OD2 3.16Å; C132-D157 PolarHBondContact N-OD2 3.08Å; C132-D157 PolarHBondContact SG-OD2 3.46Å
133E94.7Very high92.2Very high163 Ų16346.3 Ų46.376%0.76226%0.255SS*.  trans56.77.2-177.9-56.4-171.5161.400115.4V128 C129V128-E133 WeakPolarHBondContact CG1-O 3.49Å; C129-E133 WeakPolarHBondContact O-CA 3.48Å; C129-E133 PolarHBondContact O-N 3.41Å
134R93.3Very high92.3Very high82 Ų8246.5 Ų46.531%0.30925%0.254SS..  trans-73.1135.8179.1-68.9-172.3-67.1163.3-3.4110.9C129 C132 S138 F139 D156C129-R134 PolarHBondContact N-O 3.44Å; C132-R134 HydrophobicContact CB-CG 4.3Å; C132-R134 PolarHBondContact O-N 3.17Å; C132-R134 PolarHBondContact SG-NE 3.4Å; R134-S138 PolarHBondContact NH1-O 3.34Å; R134-F139 HydrophobicContact CB-CD1 4.13Å; R134-D156 IonicContact CZ-OD2 3.89Å; R134-D156 IonicContact NH2-OD2 3.34Å; R134-D156 PolarHBondContact NH2-OD2 3.21Å
135G91.2Very high92.3Very high24 Ų2448.5 Ų48.525%0.24727%0.268CS..BIsolated β-bridgetrans-85.5174.3167.300000112.7S137 S138 F139G135-S137 PolarHBondContact O-N 3.5Å; G135-S137 VanDerWaalsContact O-N 3.11Å; G135-S138 WeakPolarHBondContact O-CB 3.43Å; G135-S138 PolarHBondContact O-N 2.81Å; G135-F139 WeakPolarHBondContact O-CD1 3.32Å; G135-F139 VanDerWaalsContact O-CE1 3.31Å; G135-F139 WeakPolarHBondContact O-CE1 3.44Å
136L89.1Confident92.4Very high13 Ų1345.7 Ų45.77%0.06826%0.258CS..THydrogen-bonded Turntrans-61.3-19.8-176.1-71162000116.1K50 R52 F103 L124 A127 F139 V143K50-L136 HydrophobicContact CD-CD2 4.39Å; R52-L136 PolarHBondContact NH2-O 3.24Å; F103-L136 WeakPolarHBondContact O-CD1 3.32Å; L124-L136 HydrophobicContact CB-CD1 3.63Å; L124-L136 HydrophobicContact CD1-CD2 4.27Å; L124-L136 HydrophobicContact CD2-CD2 4.21Å; L124-L136 HydrophobicContact CG-CD1 4.44Å; L124-L136 WeakPolarHBondContact O-CD1 3.39Å; A127-L136 HydrophobicContact CB-CD1 4.1Å; A127-L136 HydrophobicContact CB-CG 4.34Å; L136-F139 HydrophobicContact CD2-CE2 3.89Å; L136-F139 HydrophobicContact CD2-CZ 3.65Å; L136-F139 HydrophobicContact CG-CZ 4.22Å; L136-V143 HydrophobicContact CD2-CG2 3.63Å
137S87.4Confident92.6Very high98 Ų9844.7 Ų44.769%0.68526%0.264SS*.THydrogen-bonded Turntrans-77.6-13.1174.7-50.10000112.3G135G135-S137 PolarHBondContact O-N 3.5Å; G135-S137 VanDerWaalsContact O-N 3.11Å
138S91.1Very high92.5Very high57 Ų5748.2 Ų48.240%0.39928%0.277SS..SBendtrans-111.64.8-172.5-53.80000113.6Y56 R134 G135Y56-S138 VanDerWaalsContact OH-C 3.27Å; Y56-S138 PolarHBondContact OH-O 3.24Å; Y56-S138 VanDerWaalsContact OH-O 3.06Å; R134-S138 PolarHBondContact NH1-O 3.34Å; G135-S138 WeakPolarHBondContact O-CB 3.43Å; G135-S138 PolarHBondContact O-N 2.81Å
139F91.5Very high92.5Very high6 Ų644.6 Ų44.63%0.02626%0.255CS..  trans-149.1150.9170.563.6-98.4000111.7R134 G135 L136 V143 C154R134-F139 HydrophobicContact CB-CD1 4.13Å; G135-F139 WeakPolarHBondContact O-CD1 3.32Å; G135-F139 VanDerWaalsContact O-CE1 3.31Å; G135-F139 WeakPolarHBondContact O-CE1 3.44Å; L136-F139 HydrophobicContact CD2-CE2 3.89Å; L136-F139 HydrophobicContact CD2-CZ 3.65Å; L136-F139 HydrophobicContact CG-CZ 4.22Å; F139-V143 HydrophobicContact CE2-CG2 3.55Å; F139-V143 HydrophobicContact CZ-CG2 3.59Å; F139-C154 HydrophobicContact CD1-CB 4.06Å; F139-C154 HydrophobicContact CD2-CB 4.11Å; F139-C154 HydrophobicContact CE1-CB 4.11Å; F139-C154 HydrophobicContact CE2-CB 4.17Å; F139-C154 HydrophobicContact CG-CB 4.06Å; F139-C154 HydrophobicContact CZ-CB 4.17Å
140G89.9Confident92.2Very high3 Ų345.6 Ų45.63%0.03127%0.266CS..  trans-94.9-22.5179.300000114.7Q49 K50 Y56Q49-G140 WeakPolarHBondContact CA-O 3.46Å; Q49-G140 VanDerWaalsContact CB-O 3.22Å; Q49-G140 WeakPolarHBondContact CB-O 3.49Å; K50-G140 PolarHBondContact N-O 3.17Å; Y56-G140 VanDerWaalsContact CG-CA 3.47Å
141G93.7Very high92.2Very high13 Ų1345.5 Ų45.513%0.13426%0.262CS..SBendtrans-67.3177.2-174.500000114.6K50 E155K50-G141 WeakPolarHBondContact CD-O 3.15Å; G141-E155 VanDerWaalsContact CA-OE2 3.25Å; G141-E155 WeakPolarHBondContact CA-OE2 3.36Å
142R95.4Very high92.2Very high57 Ų5742.6 Ų42.622%0.21525%0.247CC..  trans-70162.9172.4-64.7-174.3-67.3164.81.9111.8N37 K50 F144 E155N37-R142 VanDerWaalsContact O-CD 3.26Å; N37-R142 WeakPolarHBondContact O-CD 3.19Å; N37-R142 WeakPolarHBondContact O-CG 3.15Å; N37-R142 WeakPolarHBondContact OD1-CA 3.29Å; K50-R142 HydrophobicContact CB-CG 4.03Å; R142-F144 HydrophobicContact CB-CE2 3.78Å; R142-F144 HydrophobicContact CB-CZ 3.98Å; R142-E155 IonicContact CZ-OE1 3.59Å; R142-E155 PolarHBondContact N-OE2 3.45Å; R142-E155 IonicContact NE-OE1 3.09Å; R142-E155 PolarHBondContact NE-OE1 2.99Å; R142-E155 VanDerWaalsContact NE-OE1 3.09Å; R142-E155 IonicContact NH2-OE1 3.14Å; R142-E155 PolarHBondContact NH2-OE1 3.01Å; R142-E155 VanDerWaalsContact NH2-OE1 3.14Å; R142-E155 PolarHBondContact O-N 2.88Å
143V95Very high92.2Very high1 Ų140.6 Ų40.61%0.00623%0.234CC..EExtended strand (participates in β ladder)trans-112.5136.1174.7-174.50000109.8L31 N37 L124 A127 L136 F139 K152 L153L31-V143 HydrophobicContact CD2-CB 3.98Å; L31-V143 HydrophobicContact CD2-CG1 3.71Å; L31-V143 WeakPolarHBondContact CD2-O 2.99Å; N37-V143 PolarHBondContact ND2-O 2.84Å; N37-V143 PolarHBondContact OD1-N 3.44Å; L124-V143 HydrophobicContact CD2-CB 3.82Å; L124-V143 HydrophobicContact CD2-CG1 4.2Å; L124-V143 HydrophobicContact CD2-CG2 3.79Å; A127-V143 HydrophobicContact CB-CG1 4.35Å; L136-V143 HydrophobicContact CD2-CG2 3.63Å; F139-V143 HydrophobicContact CE2-CG2 3.55Å; F139-V143 HydrophobicContact CZ-CG2 3.59Å; V143-K152 HydrophobicContact CG1-CB 4Å; V143-K152 HydrophobicContact CG1-CD 4.45Å; V143-K152 HydrophobicContact CG1-CG 4.5Å; V143-L153 CarbonylContact C-O 3.47Å; V143-L153 VanDerWaalsContact CA-O 3.32Å; V143-L153 WeakPolarHBondContact CA-O 3.33Å; V143-L153 WeakPolarHBondContact CG1-O 3.14Å
144F94.3Very high92.2Very high17 Ų1732.8 Ų32.88%0.07520%0.198CC..EExtended strand (participates in β ladder)trans-117159.2178.6-62-89.2000110.1I32 R142 K152 L153 E155 Q158I32-F144 HydrophobicContact CD1-CD1 4.29Å; I32-F144 HydrophobicContact CG1-CD1 4.02Å; I32-F144 HydrophobicContact CG1-CE1 4.27Å; R142-F144 HydrophobicContact CB-CE2 3.78Å; R142-F144 HydrophobicContact CB-CZ 3.98Å; F144-K152 CarbonylContact O-C 3.48Å; F144-K152 VanDerWaalsContact O-CA 3.31Å; F144-K152 WeakPolarHBondContact O-CA 3.49Å; F144-L153 PolarHBondContact N-O 3.06Å; F144-L153 PolarHBondContact O-N 2.63Å; F144-E155 HydrophobicContact CE2-CB 4.02Å; F144-E155 HydrophobicContact CE2-CG 3.98Å; F144-Q158 HydrophobicContact CB-CB 3.97Å; F144-Q158 HydrophobicContact CB-CG 4.45Å; F144-Q158 HydrophobicContact CD2-CB 3.9Å; F144-Q158 HydrophobicContact CD2-CG 3.67Å; F144-Q158 HydrophobicContact CE2-CG 4.11Å; F144-Q158 HydrophobicContact CG-CB 4.11Å; F144-Q158 HydrophobicContact CG-CG 4.06Å
145S92.6Very high92.2Very high42 Ų4231.5 Ų31.529%0.29420%0.195SC..EExtended strand (participates in β ladder)trans-113.2126.4169.9-500000107.4A147 H151 K152S145-A147 PolarHBondContact O-N 3.5Å; S145-H151 WeakPolarHBondContact CA-O 3.4Å; S145-K152 WeakPolarHBondContact OG-CD 3.46Å; S145-K152 PolarHBondContact OG-NZ 3.05Å
146C92.7Very high92.3Very high3 Ų334.8 Ų34.82%0.0221%0.207CC..  trans-61.1130.8176.4-179.30000110.1Y148 C149 G150 H151 L153 H161 C165C146-Y148 PolarHBondContact O-N 2.72Å; C146-Y148 PolarHBondContact SG-N 3.22Å; C146-Y148 VanDerWaalsContact SG-N 3.4Å; C146-C149 WeakPolarHBondContact CB-SG 3.15Å; C146-C149 VanDerWaalsContact SG-SG 3.68Å; C146-G150 VanDerWaalsContact O-CA 3.26Å; C146-G150 WeakPolarHBondContact O-CA 3.24Å; C146-G150 PolarHBondContact O-N 3.37Å; C146-H151 PolarHBondContact N-O 3.38Å; C146-L153 HydrophobicContact CB-CD1 3.85Å; C146-H161 VanDerWaalsContact SG-CD2 3.6Å; C146-C165 PolarHBondContact SG-SG 3.22Å
147A89.4Confident92.6Very high85 Ų8535.2 Ų35.270%0.70221%0.209SC*.THydrogen-bonded Turntrans-61.7-23177.700000113.6S145S145-A147 PolarHBondContact O-N 3.5Å
148Y90.9Very high92.9Very high81 Ų8131.2 Ų31.232%0.31818%0.18SC..THydrogen-bonded Turntrans-95.5-53-175.7-57.7-58.9000112.8C146 C165 Q166 L187 H218C146-Y148 PolarHBondContact O-N 2.72Å; C146-Y148 PolarHBondContact SG-N 3.22Å; C146-Y148 VanDerWaalsContact SG-N 3.4Å; Y148-C165 HydrophobicContact CD2-CB 4.12Å; Y148-Q166 HydrophobicContact CD1-CG 4.09Å; Y148-Q166 HydrophobicContact CD2-CG 3.99Å; Y148-Q166 HydrophobicContact CE1-CG 4.19Å; Y148-Q166 HydrophobicContact CE2-CG 4.05Å; Y148-Q166 HydrophobicContact CG-CG 4Å; Y148-Q166 PolarHBondContact OH-NE2 3.34Å; Y148-L187 HydrophobicContact CD1-CD1 4.07Å; Y148-L187 HydrophobicContact CG-CD1 4.27Å; Y148-L187 VanDerWaalsContact O-CB 3.29Å; Y148-L187 WeakPolarHBondContact O-CB 3.35Å; Y148-H218 PolarHBondContact O-CE1 3.42Å
149C92Very high93Very high0 Ų035.8 Ų35.80%019%0.193CC..THydrogen-bonded Turntrans-100.6-12.6-17473.20000113.9C146 H151 H161 C165 L187 R188C146-C149 WeakPolarHBondContact CB-SG 3.15Å; C146-C149 VanDerWaalsContact SG-SG 3.68Å; C149-H151 PolarHBondContact O-CD2 2.93Å; C149-H151 PolarHBondContact O-N 2.93Å; C149-H151 VanDerWaalsContact SG-CD2 3.52Å; C149-H151 PolarHBondContact SG-N 3.44Å; C149-H161 PolarHBondContact SG-NE2 3.14Å; C149-C165 VanDerWaalsContact CB-SG 3.58Å; C149-C165 VanDerWaalsContact SG-SG 3.63Å; C149-L187 WeakPolarHBondContact CB-O 3.22Å; C149-R188 WeakPolarHBondContact O-CB 3.17Å; C149-R188 WeakPolarHBondContact O-CD 3.48Å; C149-R188 VanDerWaalsContact O-CG 3.28Å; C149-R188 WeakPolarHBondContact O-CG 3.14Å
150G90.6Very high93.1Very high23 Ų2340.6 Ų40.624%0.23722%0.215CC..  trans69.14.5-178.100000115.4C146C146-G150 VanDerWaalsContact O-CA 3.26Å; C146-G150 WeakPolarHBondContact O-CA 3.24Å; C146-G150 PolarHBondContact O-N 3.37Å
151H92.9Very high93.2Very high55 Ų5540.9 Ų40.926%0.25522%0.216SC..  trans-69.2153.8175-75.2-93.9000111.5V130 S145 C146 C149 R188V130-H151 HydrophobicContact CB-CB 3.96Å; V130-H151 HydrophobicContact CG1-CB 3.76Å; V130-H151 HydrophobicContact CG2-CB 4.38Å; S145-H151 WeakPolarHBondContact CA-O 3.4Å; C146-H151 PolarHBondContact N-O 3.38Å; C149-H151 PolarHBondContact O-CD2 2.93Å; C149-H151 PolarHBondContact O-N 2.93Å; C149-H151 VanDerWaalsContact SG-CD2 3.52Å; C149-H151 PolarHBondContact SG-N 3.44Å; H151-R188 WeakPolarHBondContact NE2-CG 3.39Å
152K93.6Very high93.1Very high28 Ų2843.4 Ų43.412%0.12222%0.224CC..EExtended strand (participates in β ladder)trans-83.6142.2176.5-58.4-49.9-170.4-156.50110L31 A127 C129 V130 V143 F144 S145L31-K152 HydrophobicContact CD2-CD 3.92Å; A127-K152 HydrophobicContact CB-CB 4.45Å; A127-K152 HydrophobicContact CB-CG 4.25Å; C129-K152 WeakPolarHBondContact CA-O 3.26Å; V130-K152 PolarHBondContact N-O 3.4Å; V143-K152 HydrophobicContact CG1-CB 4Å; V143-K152 HydrophobicContact CG1-CD 4.45Å; V143-K152 HydrophobicContact CG1-CG 4.5Å; F144-K152 CarbonylContact O-C 3.48Å; F144-K152 VanDerWaalsContact O-CA 3.31Å; F144-K152 WeakPolarHBondContact O-CA 3.49Å; S145-K152 WeakPolarHBondContact OG-CD 3.46Å; S145-K152 PolarHBondContact OG-NZ 3.05Å
153L95Very high92.9Very high1 Ų145 Ų451%0.00525%0.25CC..EExtended strand (participates in β ladder)trans-134.8139.6-176.1-65.1160.3000108.7V130 E131 V143 F144 C146 Q158 H161V130-L153 HydrophobicContact CG1-CD2 3.63Å; E131-L153 HydrophobicContact CG-CD2 4.02Å; V143-L153 CarbonylContact C-O 3.47Å; V143-L153 VanDerWaalsContact CA-O 3.32Å; V143-L153 WeakPolarHBondContact CA-O 3.33Å; V143-L153 WeakPolarHBondContact CG1-O 3.14Å; F144-L153 PolarHBondContact N-O 3.06Å; F144-L153 PolarHBondContact O-N 2.63Å; C146-L153 HydrophobicContact CB-CD1 3.85Å; L153-Q158 HydrophobicContact CB-CB 3.85Å; L153-Q158 HydrophobicContact CD1-CB 4.32Å; L153-H161 HydrophobicContact CD1-CB 3.79Å; L153-H161 HydrophobicContact CD2-CB 3.55Å; L153-H161 HydrophobicContact CG-CB 4.32Å
154C94.9Very high92.6Very high0 Ų047.3 Ų47.30%027%0.266CS..EExtended strand (participates in β ladder)trans-73.5165.4167.868.60000110.1C129 F139 D156 D157 Q158C129-C154 HydrophobicContact CB-CB 4.37Å; C129-C154 PolarHBondContact SG-N 2.84Å; C129-C154 VanDerWaalsContact SG-N 3.38Å; F139-C154 HydrophobicContact CD1-CB 4.06Å; F139-C154 HydrophobicContact CD2-CB 4.11Å; F139-C154 HydrophobicContact CE1-CB 4.11Å; F139-C154 HydrophobicContact CE2-CB 4.17Å; F139-C154 HydrophobicContact CG-CB 4.06Å; F139-C154 HydrophobicContact CZ-CB 4.17Å; C154-D156 PolarHBondContact O-N 3.32Å; C154-D157 PolarHBondContact O-N 3.28Å; C154-D157 VanDerWaalsContact SG-CG 3.52Å; C154-D157 PolarHBondContact SG-OD2 3.43Å; C154-Q158 WeakPolarHBondContact O-CB 3.3Å; C154-Q158 PolarHBondContact O-N 2.84Å; C154-Q158 VanDerWaalsContact O-N 3.16Å
155E93.7Very high92.4Very high55 Ų5546.5 Ų46.526%0.25726%0.262SS..THydrogen-bonded Turntrans-58.1-28.5178.7-167.5153.2-142.600113.3G141 R142 F144G141-E155 VanDerWaalsContact CA-OE2 3.25Å; G141-E155 WeakPolarHBondContact CA-OE2 3.36Å; R142-E155 IonicContact CZ-OE1 3.59Å; R142-E155 PolarHBondContact N-OE2 3.45Å; R142-E155 IonicContact NE-OE1 3.09Å; R142-E155 PolarHBondContact NE-OE1 2.99Å; R142-E155 VanDerWaalsContact NE-OE1 3.09Å; R142-E155 IonicContact NH2-OE1 3.14Å; R142-E155 PolarHBondContact NH2-OE1 3.01Å; R142-E155 VanDerWaalsContact NH2-OE1 3.14Å; R142-E155 PolarHBondContact O-N 2.88Å; F144-E155 HydrophobicContact CE2-CB 4.02Å; F144-E155 HydrophobicContact CE2-CG 3.98Å
156D92.5Very high92.3Very high92 Ų9246.8 Ų46.849%0.49226%0.259SS..THydrogen-bonded Turntrans-70.1-47.6178.8-50.7-30.7000111.5R134 C154R134-D156 IonicContact CZ-OD2 3.89Å; R134-D156 IonicContact NH2-OD2 3.34Å; R134-D156 PolarHBondContact NH2-OD2 3.21Å; C154-D156 PolarHBondContact O-N 3.32Å
157D95Very high92.1Very high23 Ų2350.8 Ų50.812%0.12327%0.274CS..THydrogen-bonded Turntrans-92.7-9.1-169.5-54.9-25.6000113.2C129 E131 C132 C154 F159 E160 H161C129-D157 PolarHBondContact SG-OD2 3.06Å; E131-D157 HydrophobicContact CB-CB 3.96Å; E131-D157 HydrophobicContact CG-CB 4.18Å; C132-D157 WeakPolarHBondContact CB-OD2 3.16Å; C132-D157 PolarHBondContact N-OD2 3.08Å; C132-D157 PolarHBondContact SG-OD2 3.46Å; C154-D157 PolarHBondContact O-N 3.28Å; C154-D157 VanDerWaalsContact SG-CG 3.52Å; C154-D157 PolarHBondContact SG-OD2 3.43Å; D157-F159 VanDerWaalsContact C-N 3.33Å; D157-F159 PolarHBondContact O-N 3.24Å; D157-E160 PolarHBondContact O-N 3.38Å; D157-H161 WeakPolarHBondContact O-CB 3.29Å; D157-H161 PolarHBondContact O-N 3.03Å
158Q93.9Very high92Very high13 Ų1347.2 Ų47.26%0.06124%0.243CC..Hα-helixtrans-66.1-32.5-165.672.593.422.900114F144 L153 C154 Q162F144-Q158 HydrophobicContact CB-CB 3.97Å; F144-Q158 HydrophobicContact CB-CG 4.45Å; F144-Q158 HydrophobicContact CD2-CB 3.9Å; F144-Q158 HydrophobicContact CD2-CG 3.67Å; F144-Q158 HydrophobicContact CE2-CG 4.11Å; F144-Q158 HydrophobicContact CG-CB 4.11Å; F144-Q158 HydrophobicContact CG-CG 4.06Å; L153-Q158 HydrophobicContact CB-CB 3.85Å; L153-Q158 HydrophobicContact CD1-CB 4.32Å; C154-Q158 WeakPolarHBondContact O-CB 3.3Å; C154-Q158 PolarHBondContact O-N 2.84Å; C154-Q158 VanDerWaalsContact O-N 3.16Å; Q158-Q162 VanDerWaalsContact O-CB 3.28Å; Q158-Q162 WeakPolarHBondContact O-CB 3.48Å; Q158-Q162 WeakPolarHBondContact O-CG 3.42Å; Q158-Q162 PolarHBondContact O-N 2.84Å; Q158-Q162 VanDerWaalsContact O-N 3.1Å
159F94.3Very high91.7Very high154 Ų15450 Ų5068%0.67526%0.259SS*.Hα-helixtrans-75.9-48.3178.1-71.1-66.9000111.8D157 H161 Q162 A163D157-F159 VanDerWaalsContact C-N 3.33Å; D157-F159 PolarHBondContact O-N 3.24Å; F159-H161 VanDerWaalsContact C-N 3.29Å; F159-H161 PolarHBondContact O-N 3.42Å; F159-Q162 PolarHBondContact O-N 3.13Å; F159-Q162 VanDerWaalsContact O-N 3.13Å; F159-A163 WeakPolarHBondContact O-CB 3.39Å; F159-A163 PolarHBondContact O-N 2.98Å
160E92.3Very high91.1Very high106 Ų10651.8 Ų51.850%0.49528%0.276SS..Hα-helixtrans-59.4-42.9-179.7-63.8171.817800110.5D157 S164D157-E160 PolarHBondContact O-N 3.38Å; E160-S164 PolarHBondContact O-N 3.17Å; E160-S164 PolarHBondContact O-OG 3.27Å
161H93.8Very high90.8Very high10 Ų1059.6 Ų59.65%0.04631%0.307CS..Hα-helixtrans-65.2-49.4172.8-174.496.6000111.8E131 C146 C149 L153 D157 F159 A163 S164 C165E131-H161 HydrophobicContact CG-CB 4.12Å; E131-H161 IonicContact OE1-CE1 2.67Å; E131-H161 PolarHBondContact OE1-CE1 3.12Å; E131-H161 IonicContact OE1-CG 3.35Å; E131-H161 IonicContact OE1-ND1 2.65Å; E131-H161 PolarHBondContact OE1-ND1 3.29Å; C146-H161 VanDerWaalsContact SG-CD2 3.6Å; C149-H161 PolarHBondContact SG-NE2 3.14Å; L153-H161 HydrophobicContact CD1-CB 3.79Å; L153-H161 HydrophobicContact CD2-CB 3.55Å; L153-H161 HydrophobicContact CG-CB 4.32Å; D157-H161 WeakPolarHBondContact O-CB 3.29Å; D157-H161 PolarHBondContact O-N 3.03Å; F159-H161 VanDerWaalsContact C-N 3.29Å; F159-H161 PolarHBondContact O-N 3.42Å; H161-A163 VanDerWaalsContact C-N 3.25Å; H161-A163 PolarHBondContact O-N 2.81Å; H161-S164 PolarHBondContact O-N 3.43Å; H161-S164 VanDerWaalsContact O-N 3.12Å; H161-S164 PolarHBondContact O-OG 3.23Å; H161-C165 PolarHBondContact NE2-SG 3.32Å; H161-C165 WeakPolarHBondContact O-CA 3.37Å; H161-C165 WeakPolarHBondContact O-CB 3.43Å; H161-C165 PolarHBondContact O-N 3.16Å
162Q91.6Very high90.4Very high65 Ų6559.4 Ų59.430%0.30431%0.312SS..Hα-helixtrans-60.4-35.4-177.1-81.4-172.850.500113.1Q158 F159Q158-Q162 VanDerWaalsContact O-CB 3.28Å; Q158-Q162 WeakPolarHBondContact O-CB 3.48Å; Q158-Q162 WeakPolarHBondContact O-CG 3.42Å; Q158-Q162 PolarHBondContact O-N 2.84Å; Q158-Q162 VanDerWaalsContact O-N 3.1Å; F159-Q162 PolarHBondContact O-N 3.13Å; F159-Q162 VanDerWaalsContact O-N 3.13Å
163A89.7Confident90.1Very high92 Ų9262 Ų6276%0.7632%0.323SS*.Hα-helixtrans-67.2-36.7176.200000112.7F159 H161F159-A163 WeakPolarHBondContact O-CB 3.39Å; F159-A163 PolarHBondContact O-N 2.98Å; H161-A163 VanDerWaalsContact C-N 3.25Å; H161-A163 PolarHBondContact O-N 2.81Å
164S88.7Confident90Very high48 Ų4866.9 Ų66.934%0.33635%0.345SS..Hα-helixtrans-104.6-3.4-172.7640000114.8E160 H161 Q166 R167E160-S164 PolarHBondContact O-N 3.17Å; E160-S164 PolarHBondContact O-OG 3.27Å; H161-S164 PolarHBondContact O-N 3.43Å; H161-S164 VanDerWaalsContact O-N 3.12Å; H161-S164 PolarHBondContact O-OG 3.23Å; S164-Q166 VanDerWaalsContact C-N 3.32Å; S164-Q166 PolarHBondContact O-N 3.49Å; S164-R167 WeakPolarHBondContact O-CD 3.5Å; S164-R167 WeakPolarHBondContact O-CG 3.45Å
165C91.5Very high89.9Confident1 Ų166.9 Ų66.91%0.00735%0.345CS..  trans-66.9-28.2-170.7-172.50000113.8C146 Y148 C149 H161 R167 K190C146-C165 PolarHBondContact SG-SG 3.22Å; Y148-C165 HydrophobicContact CD2-CB 4.12Å; C149-C165 VanDerWaalsContact CB-SG 3.58Å; C149-C165 VanDerWaalsContact SG-SG 3.63Å; H161-C165 PolarHBondContact NE2-SG 3.32Å; H161-C165 WeakPolarHBondContact O-CA 3.37Å; H161-C165 WeakPolarHBondContact O-CB 3.43Å; H161-C165 PolarHBondContact O-N 3.16Å; C165-R167 PolarHBondContact O-N 3.24Å; C165-K190 PolarHBondContact O-NZ 2.66Å; C165-K190 PolarHBondContact SG-NZ 3.23Å
166Q89.2Confident89.8Confident47 Ų4767.2 Ų67.222%0.2236%0.357CS..SBendtrans-75.458.9-177.9-65.8-177.8-18.500112.5Y148 S164 L226 V228 S229Y148-Q166 HydrophobicContact CD1-CG 4.09Å; Y148-Q166 HydrophobicContact CD2-CG 3.99Å; Y148-Q166 HydrophobicContact CE1-CG 4.19Å; Y148-Q166 HydrophobicContact CE2-CG 4.05Å; Y148-Q166 HydrophobicContact CG-CG 4Å; Y148-Q166 PolarHBondContact OH-NE2 3.34Å; S164-Q166 VanDerWaalsContact C-N 3.32Å; S164-Q166 PolarHBondContact O-N 3.49Å; Q166-L226 HydrophobicContact CG-CD1 4.11Å; Q166-V228 WeakPolarHBondContact O-CA 3.19Å; Q166-S229 PolarHBondContact O-N 3.49Å
167R88.1Confident89.7Confident88 Ų8866.2 Ų66.233%0.33236%0.357SS..BIsolated β-bridgetrans-128.4158.2178.562.5-175.5174.691.9-4.5112.3S164 C165 K190 S229S164-R167 WeakPolarHBondContact O-CD 3.5Å; S164-R167 WeakPolarHBondContact O-CG 3.45Å; C165-R167 PolarHBondContact O-N 3.24Å; R167-K190 VanDerWaalsContact O-CD 3.23Å; R167-K190 WeakPolarHBondContact O-CD 3.25Å; R167-S229 WeakPolarHBondContact CA-O 3.16Å
168L87.9Confident89.6Confident10 Ų1067.3 Ų67.35%0.05237%0.366CS..  trans-100.4155.5167.7-66.8171000110.5F173 T185 K190 T192 V228 S229 V230L168-F173 HydrophobicContact CD1-CD1 3.58Å; L168-F173 HydrophobicContact CD1-CE1 3.75Å; L168-T185 HydrophobicContact CD2-CG2 3.66Å; L168-K190 WeakPolarHBondContact CD2-O 3.43Å; L168-T192 HydrophobicContact CD1-CG2 3.56Å; L168-T192 HydrophobicContact CD2-CG2 3.79Å; L168-T192 HydrophobicContact CG-CG2 4.35Å; L168-V228 HydrophobicContact CD1-CG1 3.93Å; L168-V228 HydrophobicContact CD2-CG1 4.31Å; L168-V228 HydrophobicContact CG-CG1 3.57Å; L168-S229 PolarHBondContact N-O 3.42Å; L168-S229 VanDerWaalsContact N-O 3.12Å; L168-V230 HydrophobicContact CD1-CG2 4.5Å
169E84.6Confident89.2Confident140 Ų14072.5 Ų72.565%0.65439%0.394SS*.SBendtrans-79.7-28.9168.8-84.1174.1-17000111.7K190E169-K190 HydrophobicContact CB-CB 4.05Å; E169-K190 HydrophobicContact CG-CB 3.65Å; E169-K190 HydrophobicContact CG-CG 4.22Å; E169-K190 PolarHBondContact N-O 2.84Å
170G79.6Confident89Confident36 Ų3671.1 Ų71.137%0.37139%0.387SS..SBendtrans-88.6146-179.800000112.6S172 V230G170-S172 PolarHBondContact O-N 2.8Å; G170-V230 WeakPolarHBondContact O-CG1 3.42Å
171E83.2Confident89Confident187 Ų18772.2 Ų72.287%0.87439%0.394SS*.SBendtrans-67.4-2174.5-66.3179-175.800114.2V230E171-V230 HydrophobicContact CB-CG1 4.41Å
172S85.2Confident88.8Confident52 Ų5272.1 Ų72.136%0.36440%0.396SS..SBendtrans-141.1150.6-175.972.90000112.7G170 K174G170-S172 PolarHBondContact O-N 2.8Å; S172-K174 PolarHBondContact O-N 2.87Å; S172-K174 VanDerWaalsContact O-N 3.09Å; S172-K174 WeakPolarHBondContact OG-CB 3.31Å
173F88.3Confident88.8Confident82 Ų8271.9 Ų71.936%0.3640%0.399SS..  trans-78.823.8171.6-58.2-79.3000112.7L168 M181 G182 T192 V228 V230L168-F173 HydrophobicContact CD1-CD1 3.58Å; L168-F173 HydrophobicContact CD1-CE1 3.75Å; F173-M181 HydrophobicContact CB-CE 4.08Å; F173-G182 PolarHBondContact O-N 3.01Å; F173-T192 PolarHBondContact O-OG1 3.04Å; F173-V228 HydrophobicContact CE1-CB 4.13Å; F173-V228 HydrophobicContact CE1-CG1 4.17Å; F173-V230 HydrophobicContact CD2-CG2 4.43Å; F173-V230 HydrophobicContact CE1-CG2 3.98Å; F173-V230 HydrophobicContact CE2-CG2 3.72Å; F173-V230 HydrophobicContact CZ-CG2 3.47Å; F173-V230 VanDerWaalsContact CZ-CG2 3.47Å
174K91.5Very high88.9Confident104 Ų10468.1 Ų68.145%0.45237%0.366SS..BIsolated β-bridgetrans-83140.7179.8-67.8177.2179173.40109.9S172 A176 N179 K180 T192S172-K174 PolarHBondContact O-N 2.87Å; S172-K174 VanDerWaalsContact O-N 3.09Å; S172-K174 WeakPolarHBondContact OG-CB 3.31Å; K174-A176 PolarHBondContact O-N 3.48Å; K174-N179 HydrophobicContact CD-CB 4.49Å; K174-N179 WeakPolarHBondContact CD-O 3.5Å; K174-N179 WeakPolarHBondContact CG-O 3.44Å; K174-K180 CarbonylContact C-O 3.54Å; K174-K180 WeakPolarHBondContact CA-O 3.4Å; K174-T192 PolarHBondContact O-OG1 3.26Å
175C93.1Very high89.1Confident0 Ų065.9 Ų65.90%035%0.35CS..BIsolated β-bridgetrans-55.1125.2173.1174.60000110.1S177 C178 N179 K180 T192 C194C175-S177 PolarHBondContact O-N 2.95Å; C175-S177 PolarHBondContact SG-N 3.25Å; C175-S177 VanDerWaalsContact SG-N 3.42Å; C175-C178 PolarHBondContact O-N 3.2Å; C175-N179 PolarHBondContact O-N 3.45Å; C175-K180 WeakPolarHBondContact CB-O 3.27Å; C175-K180 PolarHBondContact N-O 3.34Å; C175-T192 WeakPolarHBondContact CA-O 3.22Å; C175-C194 HydrophobicContact CB-CB 3.98Å; C175-C194 PolarHBondContact SG-N 2.96Å
176A90.9Very high89.2Confident62 Ų6265.8 Ų65.851%0.51235%0.35SS..THydrogen-bonded Turntrans-59.7-9.2179.300000114.6K174 V191 T192 Y193K174-A176 PolarHBondContact O-N 3.48Å; A176-V191 HydrophobicContact CB-CB 4.39Å; A176-T192 PolarHBondContact N-O 2.83Å; A176-Y193 HydrophobicContact CB-CE1 4.25Å
177S91.7Very high89.4Confident71 Ų7163.6 Ų63.650%0.49734%0.339SS..THydrogen-bonded Turntrans-113.2-25.4-175.6-57.60000115.1C175 H197C175-S177 PolarHBondContact O-N 2.95Å; C175-S177 PolarHBondContact SG-N 3.25Å; C175-S177 VanDerWaalsContact SG-N 3.42Å; S177-H197 WeakPolarHBondContact CB-ND1 2.96Å
178C91.6Very high89.6Confident45 Ų4563.3 Ų63.330%0.30434%0.338SS..THydrogen-bonded Turntrans-140.611.4178.759.40000115.9C175 K180 C194 H197C175-C178 PolarHBondContact O-N 3.2Å; C178-K180 PolarHBondContact O-N 3.18Å; C178-C194 PolarHBondContact SG-SG 3.05Å; C178-H197 PolarHBondContact SG-CE1 3.06Å; C178-H197 PolarHBondContact SG-ND1 3.29Å; C178-H197 VanDerWaalsContact SG-ND1 3.37Å
179N86.6Confident89.8Confident123 Ų12363.6 Ų63.666%0.65834%0.341SS*.SBendtrans58.12.2179.7-67.9-33.8000116.5K174 C175K174-N179 HydrophobicContact CD-CB 4.49Å; K174-N179 WeakPolarHBondContact CD-O 3.5Å; K174-N179 WeakPolarHBondContact CG-O 3.44Å; C175-N179 PolarHBondContact O-N 3.45Å
180K91Very high90.2Very high124 Ų12457.7 Ų57.754%0.53931%0.313SS..SBendtrans-69.5164.7167.3-62.5-176.1-176.6-179.90110.3K174 C175 C178 G182 D196K174-K180 CarbonylContact C-O 3.54Å; K174-K180 WeakPolarHBondContact CA-O 3.4Å; C175-K180 WeakPolarHBondContact CB-O 3.27Å; C175-K180 PolarHBondContact N-O 3.34Å; C178-K180 PolarHBondContact O-N 3.18Å; K180-G182 PolarHBondContact O-N 2.89Å; K180-D196 IonicContact NZ-OD2 3.78Å
181M90.2Very high90.8Very high129 Ų12957.5 Ų57.564%0.63530%0.304SS*.BIsolated β-bridgetrans-57.4131.6174.9-66.5-56.7-65.500111.9F173 C194F173-M181 HydrophobicContact CB-CE 4.08Å; M181-C194 WeakPolarHBondContact O-CB 3.2Å
182G90.8Very high91.3Very high8 Ų848.8 Ų48.88%0.08226%0.264CS..PPolyproline II helixtrans-87.3123.3175.500000111.4F173 K180 Y193 S223F173-G182 PolarHBondContact O-N 3.01Å; K180-G182 PolarHBondContact O-N 2.89Å; G182-Y193 CarbonylContact C-O 3.59Å; G182-Y193 WeakPolarHBondContact CA-O 3.31Å; G182-S223 PolarHBondContact O-OG 2.9Å
183T90.8Very high91.7Very high60 Ų6047 Ų4737%0.36825%0.249SC..SBendtrans-88.8-29.7177.244.40000112.1Y193 D195 S223T183-Y193 PolarHBondContact N-O 3.18Å; T183-D195 PolarHBondContact OG1-N 3.14Å; T183-D195 PolarHBondContact OG1-OD1 3.42Å; T183-S223 WeakPolarHBondContact O-CB 3.42Å; T183-S223 PolarHBondContact O-N 2.8Å; T183-S223 PolarHBondContact O-OG 2.8Å; T183-S223 VanDerWaalsContact O-OG 3.04Å
184Q92.6Very high91.9Very high14 Ų1443.5 Ų43.57%0.06524%0.235CC..EExtended strand (participates in β ladder)trans-115.9134.6-176.3-60-54.510200111T192 Y193 C198 L220 D222Q184-T192 CarbonylContact O-C 3.5Å; Q184-T192 VanDerWaalsContact O-CA 3.29Å; Q184-T192 WeakPolarHBondContact O-CA 3.39Å; Q184-Y193 PolarHBondContact N-O 3.18Å; Q184-Y193 PolarHBondContact O-N 3.02Å; Q184-C198 HydrophobicContact CB-CB 4.47Å; Q184-C198 HydrophobicContact CG-CB 4.37Å; Q184-L220 HydrophobicContact CB-CB 4.06Å; Q184-L220 HydrophobicContact CB-CD1 3.88Å; Q184-L220 HydrophobicContact CB-CG 4.46Å; Q184-L220 HydrophobicContact CG-CD1 4.48Å; Q184-D222 VanDerWaalsContact CD-OD1 3.32Å; Q184-D222 PolarHBondContact NE2-OD1 3.38Å; Q184-D222 PolarHBondContact OE1-OD1 2.97Å; Q184-D222 VanDerWaalsContact OE1-OD1 3.06Å
185T92.8Very high91.8Very high0 Ų041.5 Ų41.50%023%0.229CC..EExtended strand (participates in β ladder)trans-114.7132.3-179.2-66.30000111.3L168 L187 T192 L220 T221 S223L168-T185 HydrophobicContact CD2-CG2 3.66Å; T185-L187 HydrophobicContact CG2-CD2 4.03Å; T185-L187 HydrophobicContact CG2-CG 4.39Å; T185-T192 HydrophobicContact CG2-CG2 4.45Å; T185-T192 WeakPolarHBondContact OG1-CG2 3.46Å; T185-L220 WeakPolarHBondContact O-CA 3.48Å; T185-T221 PolarHBondContact N-O 2.9Å; T185-T221 PolarHBondContact O-N 2.83Å; T185-S223 PolarHBondContact OG1-OG 2.87Å
186C93.7Very high91.7Very high0 Ų047 Ų470%026%0.259CS..EExtended strand (participates in β ladder)trans-94.5105.2169.1-175.60000109.3R188 C189 K190 V191 Y193 C213 C216 L220C186-R188 PolarHBondContact O-N 3.11Å; C186-C189 HydrophobicContact CB-CB 4.12Å; C186-C189 PolarHBondContact O-N 3.25Å; C186-C189 PolarHBondContact SG-N 3.44Å; C186-K190 VanDerWaalsContact O-CA 3.29Å; C186-K190 WeakPolarHBondContact O-CA 3.5Å; C186-K190 PolarHBondContact O-N 2.68Å; C186-V191 HydrophobicContact CB-CG2 4.4Å; C186-V191 PolarHBondContact N-O 3Å; C186-V191 PolarHBondContact O-N 2.89Å; C186-Y193 HydrophobicContact CB-CE2 4.49Å; C186-C213 HydrophobicContact CB-CB 4.19Å; C186-C213 PolarHBondContact SG-SG 3.2Å; C186-C216 VanDerWaalsContact SG-SG 3.62Å; C186-L220 HydrophobicContact CB-CD2 3.47Å; C186-L220 VanDerWaalsContact CB-CD2 3.47Å
187L92.3Very high91.8Very high1 Ų147.7 Ų47.71%0.00525%0.251CS..THydrogen-bonded Turntrans-73.8-9.7178-67.5171.2000114.2Y148 C149 T185 K190 L226Y148-L187 HydrophobicContact CD1-CD1 4.07Å; Y148-L187 HydrophobicContact CG-CD1 4.27Å; Y148-L187 VanDerWaalsContact O-CB 3.29Å; Y148-L187 WeakPolarHBondContact O-CB 3.35Å; C149-L187 WeakPolarHBondContact CB-O 3.22Å; T185-L187 HydrophobicContact CG2-CD2 4.03Å; T185-L187 HydrophobicContact CG2-CG 4.39Å; L187-K190 VanDerWaalsContact O-CD 3.3Å; L187-K190 WeakPolarHBondContact O-CD 3.28Å; L187-K190 WeakPolarHBondContact O-CE 3.17Å; L187-K190 PolarHBondContact O-NZ 2.91Å; L187-L226 HydrophobicContact CD1-CD1 4.27Å; L187-L226 HydrophobicContact CD1-CD2 3.43Å; L187-L226 VanDerWaalsContact CD1-CD2 3.43Å; L187-L226 HydrophobicContact CD2-CD2 3.52Å; L187-L226 HydrophobicContact CG-CD2 3.8Å
188R92.5Very high91.7Very high81 Ų8144.4 Ų44.431%0.30623%0.228SC..THydrogen-bonded Turntrans-84-41.5170.6-168.4171-174.6171.42.2113.2C149 H151 C186 H218C149-R188 WeakPolarHBondContact O-CB 3.17Å; C149-R188 WeakPolarHBondContact O-CD 3.48Å; C149-R188 VanDerWaalsContact O-CG 3.28Å; C149-R188 WeakPolarHBondContact O-CG 3.14Å; H151-R188 WeakPolarHBondContact NE2-CG 3.39Å; C186-R188 PolarHBondContact O-N 3.11Å; R188-H218 HydrophobicContact CB-CB 3.83Å
189C93.2Very high91.6Very high16 Ų1646.4 Ų46.411%0.10823%0.232CC..THydrogen-bonded Turntrans-93.1-5.2177.3-66.10000113.3C186 V191 K215 C216C186-C189 HydrophobicContact CB-CB 4.12Å; C186-C189 PolarHBondContact O-N 3.25Å; C186-C189 PolarHBondContact SG-N 3.44Å; C189-V191 HydrophobicContact CB-CG2 3.68Å; C189-V191 PolarHBondContact O-N 3.11Å; C189-K215 HydrophobicContact CB-CD 4.3Å; C189-C216 VanDerWaalsContact SG-CB 3.55Å; C189-C216 PolarHBondContact SG-SG 3.17Å
190K93Very high91.5Very high17 Ų1748.5 Ų48.57%0.07423%0.23CC..THydrogen-bonded Turntrans55.435.5-179.6-49.8-64.7-179.8-169.70113.7C165 R167 L168 E169 C186 L187C165-K190 PolarHBondContact O-NZ 2.66Å; C165-K190 PolarHBondContact SG-NZ 3.23Å; R167-K190 VanDerWaalsContact O-CD 3.23Å; R167-K190 WeakPolarHBondContact O-CD 3.25Å; L168-K190 WeakPolarHBondContact CD2-O 3.43Å; E169-K190 HydrophobicContact CB-CB 4.05Å; E169-K190 HydrophobicContact CG-CB 3.65Å; E169-K190 HydrophobicContact CG-CG 4.22Å; E169-K190 PolarHBondContact N-O 2.84Å; C186-K190 VanDerWaalsContact O-CA 3.29Å; C186-K190 WeakPolarHBondContact O-CA 3.5Å; C186-K190 PolarHBondContact O-N 2.68Å; L187-K190 VanDerWaalsContact O-CD 3.3Å; L187-K190 WeakPolarHBondContact O-CD 3.28Å; L187-K190 WeakPolarHBondContact O-CE 3.17Å; L187-K190 PolarHBondContact O-NZ 2.91Å
191V92.3Very high91.1Very high31 Ų3152.8 Ų52.819%0.18825%0.249CC..EExtended strand (participates in β ladder)trans-132.7155.8-178.1-67.60000112A176 C186 C189 Y193A176-V191 HydrophobicContact CB-CB 4.39Å; C186-V191 HydrophobicContact CB-CG2 4.4Å; C186-V191 PolarHBondContact N-O 3Å; C186-V191 PolarHBondContact O-N 2.89Å; C189-V191 HydrophobicContact CB-CG2 3.68Å; C189-V191 PolarHBondContact O-N 3.11Å; V191-Y193 HydrophobicContact CG2-CE2 3.69Å
192T93.1Very high90.6Very high4 Ų450.9 Ų50.93%0.02526%0.263CS..EExtended strand (participates in β ladder)trans-107154.117774.30000112.3L168 F173 K174 C175 A176 Q184 T185L168-T192 HydrophobicContact CD1-CG2 3.56Å; L168-T192 HydrophobicContact CD2-CG2 3.79Å; L168-T192 HydrophobicContact CG-CG2 4.35Å; F173-T192 PolarHBondContact O-OG1 3.04Å; K174-T192 PolarHBondContact O-OG1 3.26Å; C175-T192 WeakPolarHBondContact CA-O 3.22Å; A176-T192 PolarHBondContact N-O 2.83Å; Q184-T192 CarbonylContact O-C 3.5Å; Q184-T192 VanDerWaalsContact O-CA 3.29Å; Q184-T192 WeakPolarHBondContact O-CA 3.39Å; T185-T192 HydrophobicContact CG2-CG2 4.45Å; T185-T192 WeakPolarHBondContact OG1-CG2 3.46Å
193Y93.9Very high90.3Very high15 Ų1553.9 Ų53.96%0.05928%0.279CS..EExtended strand (participates in β ladder)trans-134.5143.6177.9-64.8-76.4000110.6A176 G182 T183 Q184 C186 V191 H197 P214 L220A176-Y193 HydrophobicContact CB-CE1 4.25Å; G182-Y193 CarbonylContact C-O 3.59Å; G182-Y193 WeakPolarHBondContact CA-O 3.31Å; T183-Y193 PolarHBondContact N-O 3.18Å; Q184-Y193 PolarHBondContact N-O 3.18Å; Q184-Y193 PolarHBondContact O-N 3.02Å; C186-Y193 HydrophobicContact CB-CE2 4.49Å; V191-Y193 HydrophobicContact CG2-CE2 3.69Å; Y193-H197 HydrophobicContact CD1-CB 4.27Å; Y193-P214 HydrophobicContact CD1-CG 4.48Å; Y193-P214 HydrophobicContact CE1-CG 4.47Å; Y193-L220 HydrophobicContact CD2-CD2 4.24Å
194C93.2Very high89.9Confident8 Ų860.7 Ų60.75%0.05430%0.304CS..  trans-79.9163.9167.269.30000110.4C175 C178 M181 D196 H197 C198C175-C194 HydrophobicContact CB-CB 3.98Å; C175-C194 PolarHBondContact SG-N 2.96Å; C178-C194 PolarHBondContact SG-SG 3.05Å; M181-C194 WeakPolarHBondContact O-CB 3.2Å; C194-D196 PolarHBondContact O-N 3.13Å; C194-H197 PolarHBondContact O-N 2.92Å; C194-H197 PolarHBondContact SG-ND1 3.25Å; C194-C198 PolarHBondContact O-N 3.5Å
195D89.5Confident89.5Confident63 Ų6363.2 Ų63.234%0.33731%0.313SS..Hα-helixtrans-51.4-40.9178.9-88.233.9000113.8T183 H197 C198 K199T183-D195 PolarHBondContact OG1-N 3.14Å; T183-D195 PolarHBondContact OG1-OD1 3.42Å; D195-H197 PolarHBondContact O-N 2.98Å; D195-C198 VanDerWaalsContact CA-SG 3.54Å; D195-C198 PolarHBondContact O-SG 3.09Å; D195-K199 WeakPolarHBondContact O-CB 2.98Å; D195-K199 PolarHBondContact O-N 2.92Å; D195-K199 VanDerWaalsContact O-N 3.13Å; D195-K199 IonicContact OD2-NZ 2.81Å; D195-K199 PolarHBondContact OD2-NZ 2.98Å
196D90.8Very high88.9Confident116 Ų11669.1 Ų69.162%0.6234%0.341SS*.Hα-helixtrans-63.2-29.8179.1-61.5-28.7000113K180 C194K180-D196 IonicContact NZ-OD2 3.78Å; C194-D196 PolarHBondContact O-N 3.13Å
197H92.2Very high88.2Confident75 Ų7581.3 Ų81.335%0.34739%0.387SS..Hα-helixtrans-99.7-22.7-176.8-76.6118.9000113.7S177 C178 Y193 C194 D195 P214S177-H197 WeakPolarHBondContact CB-ND1 2.96Å; C178-H197 PolarHBondContact SG-CE1 3.06Å; C178-H197 PolarHBondContact SG-ND1 3.29Å; C178-H197 VanDerWaalsContact SG-ND1 3.37Å; Y193-H197 HydrophobicContact CD1-CB 4.27Å; C194-H197 PolarHBondContact O-N 2.92Å; C194-H197 PolarHBondContact SG-ND1 3.25Å; D195-H197 PolarHBondContact O-N 2.98Å; H197-P214 WeakPolarHBondContact O-CG 3.32Å
198C90.1Very high87.6Confident3 Ų385.3 Ų85.32%0.0243%0.428CS..Hα-helixtrans-82.7-33174.571.20000112.4Q184 C194 D195 I211 L220Q184-C198 HydrophobicContact CB-CB 4.47Å; Q184-C198 HydrophobicContact CG-CB 4.37Å; C194-C198 PolarHBondContact O-N 3.5Å; D195-C198 VanDerWaalsContact CA-SG 3.54Å; D195-C198 PolarHBondContact O-SG 3.09Å; C198-I211 HydrophobicContact CB-CG2 4.15Å; C198-I211 WeakPolarHBondContact O-CG2 3.39Å; C198-L220 HydrophobicContact CB-CD1 3.62Å
199K89.4Confident87.2Confident86 Ų8688 Ų8837%0.37444%0.442SS..SBendtrans-93.9118.7-178.9-66.6164.9-175.5165.80110.9D195 Y205 I211D195-K199 WeakPolarHBondContact O-CB 2.98Å; D195-K199 PolarHBondContact O-N 2.92Å; D195-K199 VanDerWaalsContact O-N 3.13Å; D195-K199 IonicContact OD2-NZ 2.81Å; D195-K199 PolarHBondContact OD2-NZ 2.98Å; K199-Y205 HydrophobicContact CB-CD2 4.41Å; K199-Y205 HydrophobicContact CB-CE2 3.85Å; K199-Y205 HydrophobicContact CG-CD2 4.21Å; K199-Y205 HydrophobicContact CG-CE2 4.04Å; K199-I211 HydrophobicContact CD-CD1 4.38Å; K199-I211 HydrophobicContact CG-CD1 3.9Å
200R85.2Confident86.9Confident167 Ų16792.2 Ų92.263%0.6346%0.46SS*.PPolyproline II helixtrans-72.9130.7172.1-83.2-175.5-98.2143.9-5110.4G202 V203 Y205R200-G202 PolarHBondContact O-N 3.47Å; R200-V203 HydrophobicContact CB-CB 4.46Å; R200-V203 HydrophobicContact CB-CG2 3.89Å; R200-V203 PolarHBondContact O-N 2.81Å; R200-Y205 PolarHBondContact N-OH 2.97Å
201K80.8Confident86.8Confident214 Ų21492.2 Ų92.293%0.9346%0.46SS*.THydrogen-bonded Turntrans-55.1129.7175.2-65.1-175.1179.6-1780110.4
202G80.5Confident86.7Confident90 Ų9092.8 Ų92.893%0.92847%0.465SS*.THydrogen-bonded Turntrans84.4-2.3177.800000116R200R200-G202 PolarHBondContact O-N 3.47Å
203V84.4Confident86.7Confident71 Ų7192.9 Ų92.943%0.4347%0.465SS..PPolyproline II helixtrans-92.3125.7173.2-179.30000109.2R200 Y205R200-V203 HydrophobicContact CB-CB 4.46Å; R200-V203 HydrophobicContact CB-CG2 3.89Å; R200-V203 PolarHBondContact O-N 2.81Å; V203-Y205 HydrophobicContact CB-CE2 3.85Å; V203-Y205 HydrophobicContact CG1-CD2 4.45Å; V203-Y205 HydrophobicContact CG1-CE1 4.3Å; V203-Y205 HydrophobicContact CG1-CE2 4.02Å; V203-Y205 WeakPolarHBondContact O-CD2 3.3Å; V203-Y205 WeakPolarHBondContact O-CE2 3.39Å; V203-Y205 PolarHBondContact O-N 3.13Å
204K83.1Confident86.6Confident203 Ų20395.4 Ų95.488%0.88348%0.484SS*.PPolyproline II helixtrans-79.6116.4173.3-168.7177-178.6-178.20108.9
205Y82.7Confident86.5Confident67 Ų67102.2 Ų102.226%0.26351%0.512SS..PPolyproline II helixtrans-94.9135.2174.2-65-87.5000109.6K199 R200 V203 I211K199-Y205 HydrophobicContact CB-CD2 4.41Å; K199-Y205 HydrophobicContact CB-CE2 3.85Å; K199-Y205 HydrophobicContact CG-CD2 4.21Å; K199-Y205 HydrophobicContact CG-CE2 4.04Å; R200-Y205 PolarHBondContact N-OH 2.97Å; V203-Y205 HydrophobicContact CB-CE2 3.85Å; V203-Y205 HydrophobicContact CG1-CD2 4.45Å; V203-Y205 HydrophobicContact CG1-CE1 4.3Å; V203-Y205 HydrophobicContact CG1-CE2 4.02Å; V203-Y205 WeakPolarHBondContact O-CD2 3.3Å; V203-Y205 WeakPolarHBondContact O-CE2 3.39Å; V203-Y205 PolarHBondContact O-N 3.13Å; Y205-I211 HydrophobicContact CD1-CG1 4.17Å; Y205-I211 HydrophobicContact CD1-CG2 4.49Å; Y205-I211 HydrophobicContact CE1-CG1 4.46Å; Y205-I211 HydrophobicContact CE1-CG2 3.95Å
206E81.1Confident86.6Confident124 Ų124101.8 Ų101.858%0.57951%0.514SS*.PPolyproline II helixtrans-81.7136.8174-68.9177-173.100109.8G208 K209E206-G208 PolarHBondContact O-N 2.97Å; E206-K209 HydrophobicContact CB-CD 4.18Å; E206-K209 HydrophobicContact CB-CG 4.38Å; E206-K209 PolarHBondContact O-N 2.78Å; E206-K209 IonicContact OE1-NZ 2.63Å; E206-K209 VanDerWaalsContact OE2-CD 3.3Å; E206-K209 WeakPolarHBondContact OE2-CD 3.33Å; E206-K209 WeakPolarHBondContact OE2-CE 3.22Å; E206-K209 IonicContact OE2-NZ 2.74Å; E206-K209 PolarHBondContact OE2-NZ 2.85Å
207R79Confident86.5Confident256 Ų25698.3 Ų98.397%0.96651%0.505SS*.THydrogen-bonded Turntrans-65132.5175.8-69-175.2-175.8179.30.9109.1
208G78.9Confident86.4Confident84 Ų8496.6 Ų96.687%0.86650%0.498SS*.THydrogen-bonded Turntrans91.8-12.2-179.800000115.1E206E206-G208 PolarHBondContact O-N 2.97Å
209K84.4Confident86.4Confident139 Ų139100.5 Ų100.560%0.60452%0.518SS*.SBendtrans-90.4139.8170.8-71-172.4177.6166.20110.7E206E206-K209 HydrophobicContact CB-CD 4.18Å; E206-K209 HydrophobicContact CB-CG 4.38Å; E206-K209 PolarHBondContact O-N 2.78Å; E206-K209 IonicContact OE1-NZ 2.63Å; E206-K209 VanDerWaalsContact OE2-CD 3.3Å; E206-K209 WeakPolarHBondContact OE2-CD 3.33Å; E206-K209 WeakPolarHBondContact OE2-CE 3.22Å; E206-K209 IonicContact OE2-NZ 2.74Å; E206-K209 PolarHBondContact OE2-NZ 2.85Å
210H86.7Confident86.6Confident104 Ų10496.4 Ų96.448%0.48150%0.5SS..PPolyproline II helixtrans-62.5141.3175.7-67.2-78.7000111.4D219 L220H210-D219 HydrophobicContact CB-CB 3.59Å; H210-L220 PolarHBondContact ND1-O 3.06Å
211I91.1Very high86.8Confident16 Ų1690.1 Ų90.18%0.08248%0.48CS..PPolyproline II helixtrans-82.3130.3175.1-60.9169.7000107.5C198 K199 Y205 L220C198-I211 HydrophobicContact CB-CG2 4.15Å; C198-I211 WeakPolarHBondContact O-CG2 3.39Å; K199-I211 HydrophobicContact CD-CD1 4.38Å; K199-I211 HydrophobicContact CG-CD1 3.9Å; Y205-I211 HydrophobicContact CD1-CG1 4.17Å; Y205-I211 HydrophobicContact CD1-CG2 4.49Å; Y205-I211 HydrophobicContact CE1-CG1 4.46Å; Y205-I211 HydrophobicContact CE1-CG2 3.95Å; I211-L220 HydrophobicContact CB-CD1 4.25Å; I211-L220 HydrophobicContact CG2-CD1 4.1Å; I211-L220 WeakPolarHBondContact O-CB 3.42Å; I211-L220 WeakPolarHBondContact O-CG 3.46Å; I211-L220 PolarHBondContact O-N 2.82Å
212P91.2Very high87Confident44 Ų4481.9 Ų81.929%0.28645%0.447SS..BIsolated β-bridgetrans-73.1135.8178.928.8-34.5000111.1
213C92.5Very high87Confident5 Ų578.8 Ų78.83%0.03441%0.411CS..PPolyproline II helixtrans-54.9130.3178.4174.80000111.6C186 K215 G217 H218 L220C186-C213 HydrophobicContact CB-CB 4.19Å; C186-C213 PolarHBondContact SG-SG 3.2Å; C213-K215 PolarHBondContact O-N 3.32Å; C213-K215 PolarHBondContact SG-N 3.31Å; C213-K215 VanDerWaalsContact SG-N 3.39Å; C213-G217 WeakPolarHBondContact O-CA 3.05Å; C213-G217 PolarHBondContact O-N 3.27Å; C213-H218 WeakPolarHBondContact CB-O 3.5Å; C213-H218 PolarHBondContact N-O 3.01Å; C213-L220 HydrophobicContact CB-CD2 3.77Å; C213-L220 HydrophobicContact CB-CG 4.24Å
214P91.7Very high86.5Confident69 Ų6983.5 Ų83.545%0.44842%0.422SS..THydrogen-bonded Turntrans-59.4-29.4177.3-24.833.1000114.3Y193 H197Y193-P214 HydrophobicContact CD1-CG 4.48Å; Y193-P214 HydrophobicContact CE1-CG 4.47Å; H197-P214 WeakPolarHBondContact O-CG 3.32Å
215K91.2Very high86Confident150 Ų15079.1 Ų79.165%0.65241%0.408SS*.THydrogen-bonded Turntrans-85.5-51.8-177.2-174.2177.1178-172.70112.8C189 C213C189-K215 HydrophobicContact CB-CD 4.3Å; C213-K215 PolarHBondContact O-N 3.32Å; C213-K215 PolarHBondContact SG-N 3.31Å; C213-K215 VanDerWaalsContact SG-N 3.39Å
216C91.5Very high85.5Confident54 Ų5477.1 Ų77.137%0.36540%0.402SS..THydrogen-bonded Turntrans-116.6-11.6-173.470.30000115.2C186 C189 H218C186-C216 VanDerWaalsContact SG-SG 3.62Å; C189-C216 VanDerWaalsContact SG-CB 3.55Å; C189-C216 PolarHBondContact SG-SG 3.17Å; C216-H218 VanDerWaalsContact C-N 3.27Å; C216-H218 PolarHBondContact O-N 2.7Å; C216-H218 WeakPolarHBondContact SG-CB 3.46Å; C216-H218 PolarHBondContact SG-N 3.28Å; C216-H218 VanDerWaalsContact SG-N 3.4Å
217G88.8Confident85Confident43 Ų4376.4 Ų76.444%0.44341%0.411SS..  trans771.1-175.900000115.9C213C213-G217 WeakPolarHBondContact O-CA 3.05Å; C213-G217 PolarHBondContact O-N 3.27Å
218H90Very high84.7Confident40 Ų4065.2 Ų65.219%0.18537%0.371CS..PPolyproline II helixtrans-65.2148.6171.3-171.9-82.3000111Y148 R188 C213 C216 L220Y148-H218 PolarHBondContact O-CE1 3.42Å; R188-H218 HydrophobicContact CB-CB 3.83Å; C213-H218 WeakPolarHBondContact CB-O 3.5Å; C213-H218 PolarHBondContact N-O 3.01Å; C216-H218 VanDerWaalsContact C-N 3.27Å; C216-H218 PolarHBondContact O-N 2.7Å; C216-H218 WeakPolarHBondContact SG-CB 3.46Å; C216-H218 PolarHBondContact SG-N 3.28Å; C216-H218 VanDerWaalsContact SG-N 3.4Å; H218-L220 PolarHBondContact O-N 3.29Å
219D91.3Very high84.6Confident84 Ų8463.3 Ų63.345%0.44934%0.344SS..BIsolated β-bridgetrans-56.9131177.2-72.8-6.9000111.3H210H210-D219 HydrophobicContact CB-CB 3.59Å
220L92.6Very high84.2Confident0 Ų059 Ų590%033%0.329CS..PPolyproline II helixtrans-83.9135.9172.6-63.1174.8000109.5Q184 T185 C186 Y193 C198 H210 I211 C213 H218Q184-L220 HydrophobicContact CB-CB 4.06Å; Q184-L220 HydrophobicContact CB-CD1 3.88Å; Q184-L220 HydrophobicContact CB-CG 4.46Å; Q184-L220 HydrophobicContact CG-CD1 4.48Å; T185-L220 WeakPolarHBondContact O-CA 3.48Å; C186-L220 HydrophobicContact CB-CD2 3.47Å; C186-L220 VanDerWaalsContact CB-CD2 3.47Å; Y193-L220 HydrophobicContact CD2-CD2 4.24Å; C198-L220 HydrophobicContact CB-CD1 3.62Å; H210-L220 PolarHBondContact ND1-O 3.06Å; I211-L220 HydrophobicContact CB-CD1 4.25Å; I211-L220 HydrophobicContact CG2-CD1 4.1Å; I211-L220 WeakPolarHBondContact O-CB 3.42Å; I211-L220 WeakPolarHBondContact O-CG 3.46Å; I211-L220 PolarHBondContact O-N 2.82Å; C213-L220 HydrophobicContact CB-CD2 3.77Å; C213-L220 HydrophobicContact CB-CG 4.24Å; H218-L220 PolarHBondContact O-N 3.29Å
221T89.9Confident83.5Confident35 Ų3562.8 Ų62.822%0.21534%0.34CS..EExtended strand (participates in β ladder)trans-99.7139.2172.9-49.30000108.7T185 S223 L226T185-T221 PolarHBondContact N-O 2.9Å; T185-T221 PolarHBondContact O-N 2.83Å; T221-S223 PolarHBondContact O-N 3Å; T221-L226 HydrophobicContact CG2-CD2 4.38Å
222D85.3Confident82.2Confident42 Ų4266.8 Ų66.823%0.22537%0.369CS..EExtended strand (participates in β ladder)trans-63.3126.3174.3-67.48.9000109.6Q184 Y224 N225Q184-D222 VanDerWaalsContact CD-OD1 3.32Å; Q184-D222 PolarHBondContact NE2-OD1 3.38Å; Q184-D222 PolarHBondContact OE1-OD1 2.97Å; Q184-D222 VanDerWaalsContact OE1-OD1 3.06Å; D222-Y224 HydrophobicContact CB-CD1 3.92Å; D222-Y224 HydrophobicContact CB-CE1 3.42Å; D222-Y224 VanDerWaalsContact CB-CE1 3.42Å; D222-Y224 HydrophobicContact CB-CE2 4.4Å; D222-Y224 PolarHBondContact O-N 2.77Å; D222-Y224 VanDerWaalsContact O-N 3.13Å; D222-Y224 WeakPolarHBondContact OD2-CE1 3.37Å; D222-Y224 VanDerWaalsContact OD2-CZ 3.25Å; D222-Y224 PolarHBondContact OD2-OH 2.8Å; D222-N225 HydrophobicContact CB-CB 4.47Å; D222-N225 PolarHBondContact O-N 3.17Å; D222-N225 VanDerWaalsContact O-N 3.09Å
223S78.6Confident81.1Confident24 Ų2471.5 Ų71.517%0.16838%0.382CS..G310 helixtrans-60.9-27.1-172.4-59.20000113.3G182 T183 T185 T221G182-S223 PolarHBondContact O-OG 2.9Å; T183-S223 WeakPolarHBondContact O-CB 3.42Å; T183-S223 PolarHBondContact O-N 2.8Å; T183-S223 PolarHBondContact O-OG 2.8Å; T183-S223 VanDerWaalsContact O-OG 3.04Å; T185-S223 PolarHBondContact OG1-OG 2.87Å; T221-S223 PolarHBondContact O-N 3Å
224Y74.6Confident79.6Confident170 Ų17080.7 Ų80.767%0.66743%0.425SS*.G310 helixtrans-79.6-19.2-179.762.8-95.1000113.6D222 L226D222-Y224 HydrophobicContact CB-CD1 3.92Å; D222-Y224 HydrophobicContact CB-CE1 3.42Å; D222-Y224 VanDerWaalsContact CB-CE1 3.42Å; D222-Y224 HydrophobicContact CB-CE2 4.4Å; D222-Y224 PolarHBondContact O-N 2.77Å; D222-Y224 VanDerWaalsContact O-N 3.13Å; D222-Y224 WeakPolarHBondContact OD2-CE1 3.37Å; D222-Y224 VanDerWaalsContact OD2-CZ 3.25Å; D222-Y224 PolarHBondContact OD2-OH 2.8Å; Y224-L226 PolarHBondContact O-N 3.14Å
225N72.8Confident78.2Confident112 Ų11286.8 Ų86.860%0.59944%0.44SS*.G310 helixtrans-84.93.5177.4-74.1-35.9000112.6D222D222-N225 HydrophobicContact CB-CB 4.47Å; D222-N225 PolarHBondContact O-N 3.17Å; D222-N225 VanDerWaalsContact O-N 3.09Å
226L71.8Confident76.5Confident25 Ų2582.5 Ų82.513%0.13144%0.438CS..SBendtrans-131.7131.4-166.9-162.669.8000110.4Q166 L187 T221 Y224 V228Q166-L226 HydrophobicContact CG-CD1 4.11Å; L187-L226 HydrophobicContact CD1-CD1 4.27Å; L187-L226 HydrophobicContact CD1-CD2 3.43Å; L187-L226 VanDerWaalsContact CD1-CD2 3.43Å; L187-L226 HydrophobicContact CD2-CD2 3.52Å; L187-L226 HydrophobicContact CG-CD2 3.8Å; T221-L226 HydrophobicContact CG2-CD2 4.38Å; Y224-L226 PolarHBondContact O-N 3.14Å; L226-V228 HydrophobicContact CB-CG2 3.59Å; L226-V228 HydrophobicContact CD2-CG2 3.33Å; L226-V228 HydrophobicContact CG-CG2 3.45Å; L226-V228 VanDerWaalsContact CG-CG2 3.45Å; L226-V228 PolarHBondContact O-N 3.17Å
227S70.4Confident74.8Confident109 Ų10990 Ų9076%0.76246%0.459SS*.  trans-75.865.7171.3-600000110S229S227-S229 PolarHBondContact O-N 3.45Å
228V74.5Confident73.3Confident20 Ų2097.2 Ų97.212%0.12148%0.481CS..  trans-78.3116.3-176-170.20000110.3Q166 L168 F173 L226Q166-V228 WeakPolarHBondContact O-CA 3.19Å; L168-V228 HydrophobicContact CD1-CG1 3.93Å; L168-V228 HydrophobicContact CD2-CG1 4.31Å; L168-V228 HydrophobicContact CG-CG1 3.57Å; F173-V228 HydrophobicContact CE1-CB 4.13Å; F173-V228 HydrophobicContact CE1-CG1 4.17Å; L226-V228 HydrophobicContact CB-CG2 3.59Å; L226-V228 HydrophobicContact CD2-CG2 3.33Å; L226-V228 HydrophobicContact CG-CG2 3.45Å; L226-V228 VanDerWaalsContact CG-CG2 3.45Å; L226-V228 PolarHBondContact O-N 3.17Å
229S76.5Confident71.3Confident44 Ų44100.5 Ų100.531%0.30850%0.504SS..BIsolated β-bridgetrans-85.5141.4170.2-176.60000111Q166 R167 L168 S227 R231Q166-S229 PolarHBondContact O-N 3.49Å; R167-S229 WeakPolarHBondContact CA-O 3.16Å; L168-S229 PolarHBondContact N-O 3.42Å; L168-S229 VanDerWaalsContact N-O 3.12Å; S227-S229 PolarHBondContact O-N 3.45Å; S229-R231 PolarHBondContact OG-N 2.88Å; S229-R231 PolarHBondContact OG-O 3.45Å
230V75.4Confident69.1Low49 Ų49101.8 Ų101.830%0.29752%0.518SS..  trans-93.7-16.8164.5175.20000110.9L168 G170 E171 F173L168-V230 HydrophobicContact CD1-CG2 4.5Å; G170-V230 WeakPolarHBondContact O-CG1 3.42Å; E171-V230 HydrophobicContact CB-CG1 4.41Å; F173-V230 HydrophobicContact CD2-CG2 4.43Å; F173-V230 HydrophobicContact CE1-CG2 3.98Å; F173-V230 HydrophobicContact CE2-CG2 3.72Å; F173-V230 HydrophobicContact CZ-CG2 3.47Å; F173-V230 VanDerWaalsContact CZ-CG2 3.47Å
231R71.4Confident66.9Low184 Ų184106.7 Ų106.769%0.69455%0.548SS*.  trans-82.7130.8-179.7-63.7-179.2176.6179.3-2.4110.3S229 Y233S229-R231 PolarHBondContact OG-N 2.88Å; S229-R231 PolarHBondContact OG-O 3.45Å; R231-Y233 HydrophobicContact CB-CE2 3.93Å
232S65.3Low64.8Low100 Ų100111.2 Ų111.270%0.69957%0.567SS**  trans-89.2133.4168.150.90000110.2
233Y66.8Low62.8Low142 Ų142116.1 Ų116.156%0.55759%0.593SS**  trans-119.5129.2167.7-64.4-84.7000107.6R231R231-Y233 HydrophobicContact CB-CE2 3.93Å
234E60.2Low60.9Low199 Ų199124.4 Ų124.493%0.9362%0.622SS**  trans-87.1105.5170.1-70.5-174.9167.800108.2G236E234-G236 VanDerWaalsContact C-N 3.34Å; E234-G236 PolarHBondContact O-N 2.86Å
235Y63Low59.4Low196 Ų196121.5 Ų121.577%0.76963%0.627SS**  trans-85.483.7169-67.5-84.4000107.9
236G54.9Low57.7Low60 Ų60123.3 Ų123.362%0.61964%0.636SS**  trans-75.5137167.600000109.6E234 Q238E234-G236 VanDerWaalsContact C-N 3.34Å; E234-G236 PolarHBondContact O-N 2.86Å; G236-Q238 PolarHBondContact O-N 2.87Å
237R57.3Low56.3Low212 Ų212130.9 Ų130.980%0.867%0.671SS**  trans-54.8116.2160.2-71.3-176.3-176.9-150-0.4106.3T239R237-T239 PolarHBondContact O-N 3.22Å
238Q57.5Low54.6Low195 Ų195133.4 Ų133.491%0.91168%0.676SS**  trans-62.397167.2-68.7177.9-14.700105.8G236 C240G236-Q238 PolarHBondContact O-N 2.87Å; Q238-C240 PolarHBondContact O-N 3.32Å; Q238-C240 VanDerWaalsContact O-N 3.14Å
239T46.4Very low52.9Low109 Ų109138.4 Ų138.467%0.66971%0.707SS**  trans-62.2115157.748.70000104.1R237 V241R237-T239 PolarHBondContact O-N 3.22Å; T239-V241 PolarHBondContact O-N 3Å
240C44.9Very low50.9Low110 Ų110145.4 Ų145.474%0.74373%0.734SS**  trans-55.397160.450.20000105.7Q238 E242Q238-C240 PolarHBondContact O-N 3.32Å; Q238-C240 VanDerWaalsContact O-N 3.14Å; C240-E242 PolarHBondContact O-N 3.12Å
241V46.9Very low49.1Very low103 Ų103148.2 Ų148.262%0.62476%0.756SS**  trans-72.493.1168.4-174.30000102.9T239 N243T239-V241 PolarHBondContact O-N 3Å; V241-N243 WeakPolarHBondContact CG1-OD1 3.31Å; V241-N243 PolarHBondContact O-N 3.32Å
242E47.3Very low47.2Very low131 Ų131147.5 Ų147.561%0.61276%0.761SS**  trans-58.596.9160.2-69.5179.7161.500105.1C240 Y244C240-E242 PolarHBondContact O-N 3.12Å; E242-Y244 HydrophobicContact CB-CD2 4.13Å; E242-Y244 HydrophobicContact CB-CE2 3.67Å; E242-Y244 WeakPolarHBondContact O-CD2 3.36Å; E242-Y244 PolarHBondContact O-N 3.04Å; E242-Y244 PolarHBondContact OE2-OH 3.04Å
243N42.5Very low45.6Very low144 Ų144149.6 Ų149.677%0.7776%0.764SS**  trans-66.686.4172.8-85.7-19.1000107.4V241 S245V241-N243 WeakPolarHBondContact CG1-OD1 3.31Å; V241-N243 PolarHBondContact O-N 3.32Å; N243-S245 VanDerWaalsContact C-N 3.3Å; N243-S245 PolarHBondContact O-N 2.86Å
244Y38.2Very low44Very low198 Ų198151.3 Ų151.378%0.77678%0.777SS**  trans-78.688.6153.1-58.1-73.9000106.7E242E242-Y244 HydrophobicContact CB-CD2 4.13Å; E242-Y244 HydrophobicContact CB-CE2 3.67Å; E242-Y244 WeakPolarHBondContact O-CD2 3.36Å; E242-Y244 PolarHBondContact O-N 3.04Å; E242-Y244 PolarHBondContact OE2-OH 3.04Å
245S43.5Very low42.7Very low110 Ų110150.2 Ų150.277%0.76978%0.778SS**  trans-116.2103.4157.3-164.20000106.9N243 E247N243-S245 VanDerWaalsContact C-N 3.3Å; N243-S245 PolarHBondContact O-N 2.86Å; S245-E247 PolarHBondContact O-N 2.86Å
246D36.6Very low41.4Very low150 Ų150149.1 Ų149.180%0.80278%0.78SS**  trans-43.2129.3152.2-79.4-42.1000109.1
247E42.8Very low40.1Very low184 Ų184154.3 Ų154.386%0.8679%0.788SS**  175.2130.3112.8-91.1-173.9-17600109.8S245 T249S245-E247 PolarHBondContact O-N 2.86Å; E247-T249 PolarHBondContact O-N 3.1Å
248D34.7Very low38.7Very low161 Ų161150.4 Ų150.486%0.86179%0.792SS**  trans-51.4126.2179.5-55.3-66.5000113.1
249T39.8Very low37.6Very low125 Ų125145.4 Ų145.477%0.76778%0.778SS**  trans-153.7106.8144.5-63.80000108.9E247 S251E247-T249 PolarHBondContact O-N 3.1Å; T249-S251 PolarHBondContact O-N 3.39Å
250E32.7Very low36.9Very low191 Ų191149.2 Ų149.289%0.89379%0.789SS**  trans-59118.8167.2-61.4-178.5156.400109.7
251S39.4Very low36.3Very low108 Ų108151.8 Ų151.876%0.75579%0.787SS**  trans-151.9105.6162.1-66.10000107.8T249T249-S251 PolarHBondContact O-N 3.39Å
252E29.6Very low35.5Very low170 Ų170151.7 Ų151.779%0.79479%0.791SS**  trans-64149.2177.8-57.7173.8150.800111.8
253N32.3Very low35Very low144 Ų144151 Ų15177%0.7779%0.792SS**  trans83.6129.8167-40.8-62.8000114.4
254E33.2Very low34.4Very low177 Ų177151.5 Ų151.583%0.82779%0.794SS**  cis-14514222-65.9173.2154.700109.9E256E254-E256 PolarHBondContact O-N 3.45Å
255D33.4Very low34.2Very low176 Ų176147.8 Ų147.894%0.94180%0.796SS**  trans-63.195176-63.3-63.6000111.6
256E35.8Very low33.8Very low173 Ų173149.3 Ų149.381%0.80880%0.795SS**  trans-107.7100.6165-84.9-160.2146.600111.8E254E254-E256 PolarHBondContact O-N 3.45Å
257Q27.3Very low33.6Very low169 Ų169150.2 Ų150.279%0.7980%0.8SS**  trans44.897.9139.3-63178.325.800118
258C29.1Very low33.4Very low130 Ų130147.4 Ų147.488%0.87879%0.791SS**  trans-102.488.7136.6-164.30000107.1E260C258-E260 PolarHBondContact O-N 3.11Å; C258-E260 VanDerWaalsContact O-N 3.09Å
259S32.9Very low33.6Very low91 Ų91146.3 Ų146.364%0.63679%0.785SS**  trans-64.4109172.256.20000109K261S259-K261 PolarHBondContact O-N 2.95Å
260E31.3Very low33.9Very low189 Ų189150.1 Ų150.188%0.88379%0.787SS**  trans-57.1101.8158.1-68.5178.6150.800107.6C258C258-E260 PolarHBondContact O-N 3.11Å; C258-E260 VanDerWaalsContact O-N 3.09Å
261K32.4Very low34.3Very low164 Ų164146 Ų14671%0.71377%0.771SS**  trans-106.587.8163.6-133.4-178.5-179.3-170.90108.1S259 D263S259-K261 PolarHBondContact O-N 2.95Å; K261-D263 VanDerWaalsContact C-N 3.29Å; K261-D263 PolarHBondContact O-N 2.84Å; K261-D263 VanDerWaalsContact O-N 3.12Å
262S30.5Very low34.4Very low101 Ų101148.3 Ų148.371%0.70677%0.774SS**  trans-58.594.8150.751.60000107.8
263D36.7Very low35.2Very low117 Ų117146.7 Ų146.763%0.62677%0.77SS**  trans-94.397.9161.5-75.1-31.2000106.3K261 C265K261-D263 VanDerWaalsContact C-N 3.29Å; K261-D263 PolarHBondContact O-N 2.84Å; K261-D263 VanDerWaalsContact O-N 3.12Å; D263-C265 PolarHBondContact O-N 3.27Å
264D30.2Very low35.9Very low154 Ų154146.8 Ų146.882%0.82477%0.771SS**  trans-48.6120.5161.5-68.7-52.3000109.1
265C33.6Very low36.4Very low120 Ų120147.6 Ų147.681%0.81177%0.772SS**  trans-134.485.7165.251.70000109.7D263D263-C265 PolarHBondContact O-N 3.27Å
266D35.1Very low36.9Very low142 Ų142146.1 Ų146.176%0.75976%0.763SS**  trans19.7116.5150.7-64.4-45.3000118.7D268D266-D268 PolarHBondContact O-N 3.11Å
267D33.2Very low37.1Very low168 Ų168143.6 Ų143.690%0.89876%0.759SS**  trans-52.493155.7-83.5-48.2000111.3
268D37.5Very low38Very low126 Ų126142.7 Ų142.767%0.67476%0.758SS**  trans-96.686.9157.3-83.8-31.7000109.2D266 Y270D266-D268 PolarHBondContact O-N 3.11Å; D268-Y270 VanDerWaalsContact C-N 3.28Å; D268-Y270 HydrophobicContact CB-CD2 4.09Å; D268-Y270 HydrophobicContact CB-CE2 3.97Å; D268-Y270 WeakPolarHBondContact O-CD2 3.5Å; D268-Y270 PolarHBondContact O-N 2.94Å
269D40.2Very low38.8Very low137 Ų137145 Ų14573%0.73376%0.756SS**  trans-61.788163.9-173.27.6000109.2N271D269-N271 PolarHBondContact O-N 3.09Å
270Y45.8Very low39.5Very low205 Ų205151.8 Ų151.880%0.80479%0.785SS**  trans-68.380.5170.6-90.2-94000109.8D268 L272D268-Y270 VanDerWaalsContact C-N 3.28Å; D268-Y270 HydrophobicContact CB-CD2 4.09Å; D268-Y270 HydrophobicContact CB-CE2 3.97Å; D268-Y270 WeakPolarHBondContact O-CD2 3.5Å; D268-Y270 PolarHBondContact O-N 2.94Å; Y270-L272 PolarHBondContact O-N 3.03Å
271N40.5Very low39.9Very low104 Ų104149.9 Ų149.956%0.55678%0.78SS**  trans-73.490175.4-151.1-22.7000110D269 L273D269-N271 PolarHBondContact O-N 3.09Å; N271-L273 PolarHBondContact O-N 3.17Å
272L42.8Very low40.3Very low158 Ų158149.2 Ų149.283%0.82778%0.784SS**G310 helixtrans-65.5-0.1-176.7-167.764000114.1Y270Y270-L272 PolarHBondContact O-N 3.03Å
273L44.8Very low40.9Very low135 Ų135151.8 Ų151.871%0.70779%0.788SS**G310 helixtrans-79.9-18.6-175.9-90.693.3000115.2N271 K275N271-L273 PolarHBondContact O-N 3.17Å; L273-K275 VanDerWaalsContact C-N 3.32Å; L273-K275 PolarHBondContact O-N 3.35Å
274D47.3Very low41.1Very low147 Ų147153.9 Ų153.979%0.78680%0.798SS**G310 helixtrans-86.712.7-171.9-86.2-4.6000115.8
275K44.9Very low41.8Very low194 Ų194153.9 Ų153.984%0.84380%0.796SS**G310 helixtrans-117.716.7172.4-72.7-171.6179.4177.90115.4L273L273-K275 VanDerWaalsContact C-N 3.32Å; L273-K275 PolarHBondContact O-N 3.35Å
276L42Very low42.4Very low145 Ų145156.1 Ų156.176%0.75980%0.795SS**  trans-108.849.6170.4-72168.8000112I278L276-I278 PolarHBondContact O-N 3.46Å
277T42Very low42.9Very low119 Ų119157.1 Ų157.173%0.7380%0.798SS**  trans-86.198.115749.30000108.1E279T277-E279 PolarHBondContact O-N 3.5Å
278I44.7Very low43.6Very low150 Ų150156.3 Ų156.377%0.76979%0.79SS**  trans-71106.4164.5-61.6172.7000105.9L276L276-I278 PolarHBondContact O-N 3.46Å
279E45.7Very low44.1Very low179 Ų179158.8 Ų158.884%0.83680%0.8SS**  trans-69.9128.2167.2-66.2-176160.800108.5T277T277-E279 PolarHBondContact O-N 3.5Å
280N49Very low44.5Very low233 Ų233160.8 Ų160.8100%1.24681%0.806SS**  trans-68.80170.8-82.6-29.2000111.5

Retrieved 280 of 280 residues in 48.7 ms (Link to these results)

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