A0A061IL39_CRIGR Loading...

Exocyst complex component 1-like

AlphaFold DB , UniProt , Accession A0A061IL39, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Exoc1l, Length 172 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
1M53.7Low86.2Confident134 Ų13475.7 Ų75.766%0.6639%0.393SS*.  0146.90-78.3-169.6-107.500109.4S3 F24 I25 S106M1-S3 PolarHBondContact O-N 3.03Å; M1-F24 HydrophobicContact CB-CZ 4.31Å; M1-I25 HydrophobicContact CE-CB 4.31Å; M1-I25 HydrophobicContact CE-CG2 4.04Å; M1-S106 WeakPolarHBondContact CE-OG 3.41Å
2S65.1Low87Confident65 Ų6576.3 Ų76.346%0.45539%0.39SS..  trans-68124.3-170.1-1780000112.1L4 V5S2-L4 PolarHBondContact O-N 3.12Å; S2-V5 PolarHBondContact O-N 3.25Å
3S77.6Confident87.7Confident78 Ų7872.2 Ų72.255%0.54537%0.369SS..Hα-helixtrans-55.3-31.3176.3520000112.8M1 V5 K6 E7M1-S3 PolarHBondContact O-N 3.03Å; S3-V5 PolarHBondContact O-N 3.18Å; S3-K6 WeakPolarHBondContact O-CB 3.41Å; S3-K6 PolarHBondContact O-N 3.3Å; S3-E7 WeakPolarHBondContact O-CG 2.97Å; S3-E7 PolarHBondContact O-N 2.69Å
4L90.7Very high88.4Confident116 Ų11667 Ų6761%0.60734%0.343SS*.Hα-helixtrans-65.3-40.1-178.2-64.3172.8000113.3S2 K6 E7 D8S2-L4 PolarHBondContact O-N 3.12Å; L4-K6 VanDerWaalsContact C-N 3.33Å; L4-E7 PolarHBondContact O-N 2.96Å; L4-D8 WeakPolarHBondContact O-CB 3.3Å; L4-D8 PolarHBondContact O-N 3.17Å
5V91.9Very high88.9Confident32 Ų3271.7 Ų71.719%0.19436%0.36CS..Hα-helixtrans-67.7-39.5179.31780000110.1S2 S3 D8 L9 F24 Y36S2-V5 PolarHBondContact O-N 3.25Å; S3-V5 PolarHBondContact O-N 3.18Å; V5-D8 PolarHBondContact O-N 2.74Å; V5-L9 HydrophobicContact CG1-CD1 4.06Å; V5-L9 HydrophobicContact CG1-CG 4.5Å; V5-L9 WeakPolarHBondContact O-CB 3.46Å; V5-L9 WeakPolarHBondContact O-CG 3.18Å; V5-L9 PolarHBondContact O-N 3.44Å; V5-F24 HydrophobicContact CB-CE2 4.26Å; V5-F24 HydrophobicContact CB-CZ 4.36Å; V5-F24 HydrophobicContact CG1-CE2 3.84Å; V5-F24 HydrophobicContact CG1-CZ 4.4Å; V5-Y36 HydrophobicContact CG1-CE1 4.46Å; V5-Y36 HydrophobicContact CG1-CE2 4.08Å
6K91.9Very high89.3Confident67 Ų6773.1 Ų73.129%0.29138%0.375SS..Hα-helixtrans-60.3-50175.2-167.7176.4173.8169.10111.2S3 L4 D8 L9 E10 L21 F24S3-K6 WeakPolarHBondContact O-CB 3.41Å; S3-K6 PolarHBondContact O-N 3.3Å; L4-K6 VanDerWaalsContact C-N 3.33Å; K6-D8 VanDerWaalsContact C-N 3.31Å; K6-D8 PolarHBondContact O-N 3.43Å; K6-L9 PolarHBondContact O-N 3.22Å; K6-E10 WeakPolarHBondContact CE-OE1 3.36Å; K6-E10 WeakPolarHBondContact O-CB 3.38Å; K6-E10 WeakPolarHBondContact O-CG 3.5Å; K6-E10 PolarHBondContact O-N 3.17Å; K6-L21 HydrophobicContact CG-CD2 3.98Å; K6-F24 HydrophobicContact CB-CD1 4.15Å; K6-F24 HydrophobicContact CB-CE1 3.49Å; K6-F24 VanDerWaalsContact CB-CE1 3.49Å; K6-F24 HydrophobicContact CB-CZ 4Å; K6-F24 HydrophobicContact CD-CD1 4.28Å; K6-F24 HydrophobicContact CD-CE1 4.05Å; K6-F24 HydrophobicContact CG-CD1 3.98Å; K6-F24 HydrophobicContact CG-CE1 3.78Å
7E94Very high89.7Confident111 Ų11174.1 Ų74.152%0.51938%0.381SS..Hα-helixtrans-60.5-39.9179-73.8172.6-15800112.1S3 L4 K11S3-E7 WeakPolarHBondContact O-CG 2.97Å; S3-E7 PolarHBondContact O-N 2.69Å; L4-E7 PolarHBondContact O-N 2.96Å; E7-K11 VanDerWaalsContact O-CB 3.22Å; E7-K11 WeakPolarHBondContact O-CB 3.49Å; E7-K11 PolarHBondContact O-N 2.93Å
8D95.4Very high90Very high37 Ų3772.2 Ų72.220%0.19838%0.378CS..Hα-helixtrans-70.8-43.9179.1-160.246.8000111.9L4 V5 K6 E10 K11 K12 Y63L4-D8 WeakPolarHBondContact O-CB 3.3Å; L4-D8 PolarHBondContact O-N 3.17Å; V5-D8 PolarHBondContact O-N 2.74Å; K6-D8 VanDerWaalsContact C-N 3.31Å; K6-D8 PolarHBondContact O-N 3.43Å; D8-E10 PolarHBondContact O-N 3.2Å; D8-K11 PolarHBondContact O-N 3.46Å; D8-K12 WeakPolarHBondContact O-CB 3.43Å; D8-K12 PolarHBondContact O-N 2.94Å; D8-K12 VanDerWaalsContact OD1-CD 3.28Å; D8-K12 WeakPolarHBondContact OD1-CD 3.32Å; D8-K12 WeakPolarHBondContact OD1-CE 3.49Å; D8-K12 IonicContact OD1-NZ 3.19Å; D8-K12 PolarHBondContact OD1-NZ 2.97Å; D8-K12 IonicContact OD2-NZ 2.89Å; D8-K12 PolarHBondContact OD2-NZ 3.2Å; D8-Y63 WeakPolarHBondContact OD2-CE2 3.49Å; D8-Y63 PolarHBondContact OD2-OH 3.21Å
9L95.8Very high90.3Very high0 Ų069.2 Ų69.20%036%0.362CS..Hα-helixtrans-56.7-48.9170.9-84.6168000111.2V5 K6 K11 L13 F14 L21 F24 Y36 V52 Y63V5-L9 HydrophobicContact CG1-CD1 4.06Å; V5-L9 HydrophobicContact CG1-CG 4.5Å; V5-L9 WeakPolarHBondContact O-CB 3.46Å; V5-L9 WeakPolarHBondContact O-CG 3.18Å; V5-L9 PolarHBondContact O-N 3.44Å; K6-L9 PolarHBondContact O-N 3.22Å; L9-K11 PolarHBondContact O-N 3.28Å; L9-L13 HydrophobicContact CD2-CD2 4.42Å; L9-L13 WeakPolarHBondContact O-CA 3.44Å; L9-L13 WeakPolarHBondContact O-CB 3.45Å; L9-L13 PolarHBondContact O-N 2.82Å; L9-F14 HydrophobicContact CB-CD2 4.41Å; L9-F14 HydrophobicContact CB-CE2 4.32Å; L9-F14 HydrophobicContact CD2-CE2 4.4Å; L9-F14 WeakPolarHBondContact O-CD2 3.03Å; L9-F14 PolarHBondContact O-N 3.25Å; L9-L21 HydrophobicContact CB-CD2 4.12Å; L9-F24 HydrophobicContact CD1-CB 4.43Å; L9-F24 HydrophobicContact CD1-CD2 3.75Å; L9-F24 HydrophobicContact CD1-CE2 4.26Å; L9-F24 HydrophobicContact CD1-CG 4.12Å; L9-Y36 HydrophobicContact CD1-CD2 4.13Å; L9-Y36 HydrophobicContact CD1-CG 4.35Å; L9-V52 HydrophobicContact CD2-CG1 4.07Å; L9-Y63 HydrophobicContact CD2-CD1 3.32Å; L9-Y63 HydrophobicContact CD2-CE1 3.55Å; L9-Y63 HydrophobicContact CD2-CG 3.85Å; L9-Y63 HydrophobicContact CG-CD1 4.1Å; L9-Y63 HydrophobicContact CG-CE1 3.78Å
10E95.8Very high90.6Very high43 Ų4371.1 Ų71.120%0.20137%0.372CS..Iπ-helixtrans-57.9-49177.1-80.7179-170.100111.3K6 D8 F14 K15 L21K6-E10 WeakPolarHBondContact CE-OE1 3.36Å; K6-E10 WeakPolarHBondContact O-CB 3.38Å; K6-E10 WeakPolarHBondContact O-CG 3.5Å; K6-E10 PolarHBondContact O-N 3.17Å; D8-E10 PolarHBondContact O-N 3.2Å; E10-F14 PolarHBondContact O-N 3.09Å; E10-K15 VanDerWaalsContact O-CB 3.28Å; E10-K15 WeakPolarHBondContact O-CB 3.02Å; E10-K15 VanDerWaalsContact O-CG 3.27Å; E10-K15 WeakPolarHBondContact O-CG 3.49Å; E10-K15 PolarHBondContact O-N 2.83Å; E10-L21 HydrophobicContact CG-CB 3.65Å; E10-L21 HydrophobicContact CG-CD2 3.88Å; E10-L21 HydrophobicContact CG-CG 4.36Å
11K96.1Very high91Very high150 Ų15067.8 Ų67.865%0.65236%0.355SS*.Iπ-helixtrans-67.8-46.2-176.4-176.4-179.1176.2-176.20112.7E7 D8 L9 P16E7-K11 VanDerWaalsContact O-CB 3.22Å; E7-K11 WeakPolarHBondContact O-CB 3.49Å; E7-K11 PolarHBondContact O-N 2.93Å; D8-K11 PolarHBondContact O-N 3.46Å; L9-K11 PolarHBondContact O-N 3.28Å; K11-P16 WeakPolarHBondContact O-CD 3.47Å
12K95.9Very high93Very high82 Ų8263 Ų6336%0.35733%0.334SS..Iπ-helixtrans-89-28.8-171-70.5176.7176167.60113.5D8 D60 E61 Y63D8-K12 WeakPolarHBondContact O-CB 3.43Å; D8-K12 PolarHBondContact O-N 2.94Å; D8-K12 VanDerWaalsContact OD1-CD 3.28Å; D8-K12 WeakPolarHBondContact OD1-CD 3.32Å; D8-K12 WeakPolarHBondContact OD1-CE 3.49Å; D8-K12 IonicContact OD1-NZ 3.19Å; D8-K12 PolarHBondContact OD1-NZ 2.97Å; D8-K12 IonicContact OD2-NZ 2.89Å; D8-K12 PolarHBondContact OD2-NZ 3.2Å; K12-D60 IonicContact NZ-OD1 3.81Å; K12-E61 PolarHBondContact NZ-O 3.4Å; K12-Y63 HydrophobicContact CB-CD2 4.22Å; K12-Y63 HydrophobicContact CD-CD2 4.12Å; K12-Y63 HydrophobicContact CD-CE2 3.86Å
13L96.6Very high94.4Very high23 Ų2361.3 Ų61.312%0.1232%0.319CS..Iπ-helixtrans-114.5-53.4-174.2-171.865.8000113.3L9 L17 V52 V65L9-L13 HydrophobicContact CD2-CD2 4.42Å; L9-L13 WeakPolarHBondContact O-CA 3.44Å; L9-L13 WeakPolarHBondContact O-CB 3.45Å; L9-L13 PolarHBondContact O-N 2.82Å; L13-L17 WeakPolarHBondContact O-CD1 3.3Å; L13-L17 VanDerWaalsContact O-CG 3.32Å; L13-L17 WeakPolarHBondContact O-CG 3.44Å; L13-V52 HydrophobicContact CD2-CB 4.34Å; L13-V52 HydrophobicContact CD2-CG1 3.78Å; L13-V52 HydrophobicContact CD2-CG2 3.53Å; L13-V65 HydrophobicContact CD1-CG2 3.93Å; L13-V65 HydrophobicContact CD2-CG2 4.08Å; L13-V65 HydrophobicContact CG-CG2 4.48Å
14F97Very high95.3Very high0 Ų058 Ų580%030%0.295CS..Iπ-helixtrans-83.9-41.5-168.8-67-83.7000114.1L9 E10 L17 A18 Q19 L21 C38 I50L9-F14 HydrophobicContact CB-CD2 4.41Å; L9-F14 HydrophobicContact CB-CE2 4.32Å; L9-F14 HydrophobicContact CD2-CE2 4.4Å; L9-F14 WeakPolarHBondContact O-CD2 3.03Å; L9-F14 PolarHBondContact O-N 3.25Å; E10-F14 PolarHBondContact O-N 3.09Å; F14-L17 CarbonylContact O-C 3.56Å; F14-L17 WeakPolarHBondContact O-CA 3.49Å; F14-L17 PolarHBondContact O-N 3.39Å; F14-L17 VanDerWaalsContact O-N 3.09Å; F14-A18 PolarHBondContact O-N 2.77Å; F14-Q19 CarbonylContact C-O 3.59Å; F14-Q19 HydrophobicContact CB-CB 4.29Å; F14-Q19 HydrophobicContact CD1-CB 4.04Å; F14-Q19 PolarHBondContact O-N 2.72Å; F14-L21 HydrophobicContact CD2-CB 4.06Å; F14-L21 HydrophobicContact CD2-CD1 4.1Å; F14-L21 HydrophobicContact CD2-CD2 4.05Å; F14-L21 HydrophobicContact CD2-CG 4.3Å; F14-L21 HydrophobicContact CE1-CD1 4.15Å; F14-L21 HydrophobicContact CE2-CD1 3.7Å; F14-L21 HydrophobicContact CE2-CD2 4.04Å; F14-L21 HydrophobicContact CE2-CG 4.3Å; F14-L21 HydrophobicContact CG-CB 4.14Å; F14-L21 HydrophobicContact CZ-CD1 3.74Å; F14-C38 HydrophobicContact CE1-CB 4.29Å; F14-C38 HydrophobicContact CE2-CB 4.21Å; F14-C38 HydrophobicContact CZ-CB 3.47Å; F14-C38 VanDerWaalsContact CZ-CB 3.47Å; F14-I50 HydrophobicContact CE1-CD1 3.92Å
15K95.9Very high95.6Very high137 Ų13752.5 Ų52.560%0.59627%0.266SS*.THydrogen-bonded Turntrans-60.2-44.5177.5-76.3179.5-173.9171.50112.9E10 L17 A18E10-K15 VanDerWaalsContact O-CB 3.28Å; E10-K15 WeakPolarHBondContact O-CB 3.02Å; E10-K15 VanDerWaalsContact O-CG 3.27Å; E10-K15 WeakPolarHBondContact O-CG 3.49Å; E10-K15 PolarHBondContact O-N 2.83Å; K15-L17 PolarHBondContact O-N 2.9Å; K15-A18 PolarHBondContact O-N 2.89Å
16P96.3Very high95.8Very high94 Ų9453 Ų5361%0.6127%0.267SS*.THydrogen-bonded Turntrans-59.1-29.7174-26.436.5000113.6K11 A18K11-P16 WeakPolarHBondContact O-CD 3.47Å; P16-A18 VanDerWaalsContact C-N 3.29Å
17L94.6Very high96Very high91 Ų9150 Ų5048%0.47625%0.254SS..THydrogen-bonded Turntrans-86.73.9176.7-62.6176.2000113.3L13 F14 K15 Q19L13-L17 WeakPolarHBondContact O-CD1 3.3Å; L13-L17 VanDerWaalsContact O-CG 3.32Å; L13-L17 WeakPolarHBondContact O-CG 3.44Å; F14-L17 CarbonylContact O-C 3.56Å; F14-L17 WeakPolarHBondContact O-CA 3.49Å; F14-L17 PolarHBondContact O-N 3.39Å; F14-L17 VanDerWaalsContact O-N 3.09Å; K15-L17 PolarHBondContact O-N 2.9Å; L17-Q19 HydrophobicContact CB-CG 4.05Å; L17-Q19 PolarHBondContact O-N 3.37Å
18A95.6Very high96Very high39 Ų3949 Ų4932%0.32225%0.249SC..THydrogen-bonded Turntrans53.438.3-173.400000112.9F14 K15 P16 K43F14-A18 PolarHBondContact O-N 2.77Å; K15-A18 PolarHBondContact O-N 2.89Å; P16-A18 VanDerWaalsContact C-N 3.29Å; A18-K43 HydrophobicContact CB-CD 3.88Å; A18-K43 HydrophobicContact CB-CG 4.21Å
19Q96.6Very high95.5Very high16 Ų1652.6 Ų52.68%0.07526%0.263CS..EExtended strand (participates in β ladder)trans-111.5145.3177.2-65.7-175.7-26.600110.5F14 L17 S40 V41 T42F14-Q19 CarbonylContact C-O 3.59Å; F14-Q19 HydrophobicContact CB-CB 4.29Å; F14-Q19 HydrophobicContact CD1-CB 4.04Å; F14-Q19 PolarHBondContact O-N 2.72Å; L17-Q19 HydrophobicContact CB-CG 4.05Å; L17-Q19 PolarHBondContact O-N 3.37Å; Q19-S40 PolarHBondContact OE1-OG 2.62Å; Q19-V41 CarbonylContact C-O 3.51Å; Q19-V41 WeakPolarHBondContact CA-O 3.41Å; Q19-T42 HydrophobicContact CG-CG2 4.06Å
20N96.4Very high95Very high106 Ų10654.8 Ų54.857%0.56728%0.278SS*.EExtended strand (participates in β ladder)trans-99.1120172.8-172.1-12.4000109.5C22 S40 V41N20-C22 PolarHBondContact O-N 3.05Å; N20-S40 CarbonylContact O-C 3.5Å; N20-S40 WeakPolarHBondContact O-CA 3.27Å; N20-S40 VanDerWaalsContact O-CB 3.31Å; N20-S40 WeakPolarHBondContact O-CB 3.28Å; N20-V41 PolarHBondContact N-O 3.43Å; N20-V41 PolarHBondContact O-N 3.1Å
21L97.3Very high94.2Very high3 Ų360.1 Ų60.12%0.01631%0.313CS..EExtended strand (participates in β ladder)trans-76113.1176.9-178.360.5000110K6 L9 E10 F14 E23 F24 C38K6-L21 HydrophobicContact CG-CD2 3.98Å; L9-L21 HydrophobicContact CB-CD2 4.12Å; E10-L21 HydrophobicContact CG-CB 3.65Å; E10-L21 HydrophobicContact CG-CD2 3.88Å; E10-L21 HydrophobicContact CG-CG 4.36Å; F14-L21 HydrophobicContact CD2-CB 4.06Å; F14-L21 HydrophobicContact CD2-CD1 4.1Å; F14-L21 HydrophobicContact CD2-CD2 4.05Å; F14-L21 HydrophobicContact CD2-CG 4.3Å; F14-L21 HydrophobicContact CE1-CD1 4.15Å; F14-L21 HydrophobicContact CE2-CD1 3.7Å; F14-L21 HydrophobicContact CE2-CD2 4.04Å; F14-L21 HydrophobicContact CE2-CG 4.3Å; F14-L21 HydrophobicContact CG-CB 4.14Å; F14-L21 HydrophobicContact CZ-CD1 3.74Å; L21-E23 VanDerWaalsContact CD1-O 3.31Å; L21-E23 WeakPolarHBondContact CD1-O 3.44Å; L21-F24 HydrophobicContact CD1-CB 4.46Å; L21-F24 HydrophobicContact CD2-CB 4.47Å; L21-C38 HydrophobicContact CD1-CB 3.76Å
22C96Very high93.5Very high32 Ų3261.4 Ų61.422%0.21632%0.322CS..EExtended strand (participates in β ladder)trans-85.8-48179.6-67.60000111.8N20 V39 T113 L117N20-C22 PolarHBondContact O-N 3.05Å; C22-V39 WeakPolarHBondContact CB-O 3.45Å; C22-V39 PolarHBondContact N-O 2.88Å; C22-T113 HydrophobicContact CB-CG2 4.23Å; C22-L117 HydrophobicContact CB-CD1 3.96Å
23E96Very high93.2Very high30 Ų3059.5 Ų59.514%0.1432%0.315CS..EExtended strand (participates in β ladder)trans-146.7151.8-178.8179.464.3-67.300110.2L21 I25 C38 V39 S109 T113L21-E23 VanDerWaalsContact CD1-O 3.31Å; L21-E23 WeakPolarHBondContact CD1-O 3.44Å; E23-I25 HydrophobicContact CG-CG2 4.42Å; E23-C38 CarbonylContact O-C 3.46Å; E23-C38 WeakPolarHBondContact O-CA 3.4Å; E23-V39 PolarHBondContact N-O 2.83Å; E23-V39 PolarHBondContact O-N 2.92Å; E23-S109 PolarHBondContact OE2-OG 2.8Å; E23-T113 HydrophobicContact CB-CG2 3.62Å; E23-T113 HydrophobicContact CG-CG2 4.47Å
24F96.3Very high93Very high10 Ų1065 Ų654%0.04434%0.335CS..EExtended strand (participates in β ladder)trans-142.7140.1166.979-66.5000109.9M1 V5 K6 L9 L21 Y36 L37 C38M1-F24 HydrophobicContact CB-CZ 4.31Å; V5-F24 HydrophobicContact CB-CE2 4.26Å; V5-F24 HydrophobicContact CB-CZ 4.36Å; V5-F24 HydrophobicContact CG1-CE2 3.84Å; V5-F24 HydrophobicContact CG1-CZ 4.4Å; K6-F24 HydrophobicContact CB-CD1 4.15Å; K6-F24 HydrophobicContact CB-CE1 3.49Å; K6-F24 VanDerWaalsContact CB-CE1 3.49Å; K6-F24 HydrophobicContact CB-CZ 4Å; K6-F24 HydrophobicContact CD-CD1 4.28Å; K6-F24 HydrophobicContact CD-CE1 4.05Å; K6-F24 HydrophobicContact CG-CD1 3.98Å; K6-F24 HydrophobicContact CG-CE1 3.78Å; L9-F24 HydrophobicContact CD1-CB 4.43Å; L9-F24 HydrophobicContact CD1-CD2 3.75Å; L9-F24 HydrophobicContact CD1-CE2 4.26Å; L9-F24 HydrophobicContact CD1-CG 4.12Å; L21-F24 HydrophobicContact CD1-CB 4.46Å; L21-F24 HydrophobicContact CD2-CB 4.47Å; F24-Y36 AromaticContact CD2-CD1 3.96Å; F24-Y36 HydrophobicContact CD2-CD1 3.96Å; F24-Y36 HydrophobicContact CD2-CE1 4.48Å; F24-Y36 HydrophobicContact CD2-CG 4.34Å; F24-Y36 HydrophobicContact CE2-CD1 4.34Å; F24-Y36 HydrophobicContact CE2-CE1 4.42Å; F24-L37 WeakPolarHBondContact CA-O 3.48Å; F24-C38 HydrophobicContact CB-CB 4.47Å
25I96.8Very high93Very high0 Ų066 Ų660%034%0.339CS..EExtended strand (participates in β ladder)trans-125.914717364.8162.3000109.7M1 E23 I27 Y36 L37 F89 A101 F110M1-I25 HydrophobicContact CE-CB 4.31Å; M1-I25 HydrophobicContact CE-CG2 4.04Å; E23-I25 HydrophobicContact CG-CG2 4.42Å; I25-I27 HydrophobicContact CD1-CG2 4.08Å; I25-I27 HydrophobicContact CG1-CG2 4.19Å; I25-Y36 CarbonylContact O-C 3.51Å; I25-Y36 WeakPolarHBondContact O-CA 3.4Å; I25-L37 HydrophobicContact CD1-CB 4.43Å; I25-L37 HydrophobicContact CD1-CD2 4.36Å; I25-L37 HydrophobicContact CG1-CB 3.84Å; I25-L37 PolarHBondContact N-O 3.04Å; I25-L37 PolarHBondContact O-N 2.73Å; I25-F89 HydrophobicContact CD1-CE1 4.41Å; I25-F89 HydrophobicContact CD1-CZ 4.09Å; I25-A101 HydrophobicContact CD1-CB 4.13Å; I25-F110 HydrophobicContact CD1-CB 3.76Å; I25-F110 HydrophobicContact CD1-CD2 4.27Å; I25-F110 HydrophobicContact CD1-CG 4.07Å; I25-F110 HydrophobicContact CG1-CB 4.31Å; I25-F110 HydrophobicContact CG1-CD2 4.3Å; I25-F110 HydrophobicContact CG2-CB 4.06Å
26E96.1Very high93.1Very high42 Ų4259.7 Ų59.720%0.19631%0.311CS..EExtended strand (participates in β ladder)trans-77.4139.7168-171.5160.5173.500109.6R34 Y35 Y36 Y102E26-R34 IonicContact OE1-NE 3.89Å; E26-Y35 WeakPolarHBondContact CA-O 3.46Å; E26-Y36 HydrophobicContact CB-CD1 4.03Å; E26-Y36 HydrophobicContact CB-CE1 3.9Å; E26-Y36 HydrophobicContact CG-CD1 4.38Å; E26-Y36 HydrophobicContact CG-CE1 4.02Å; E26-Y102 PolarHBondContact O-N 2.98Å
27I96.6Very high93.2Very high4 Ų455.2 Ų55.22%0.02128%0.282CS..EExtended strand (participates in β ladder)trans-126.1143177.761.8172000110.3I25 F29 Y35 L37 M51 L99 E100I25-I27 HydrophobicContact CD1-CG2 4.08Å; I25-I27 HydrophobicContact CG1-CG2 4.19Å; I27-F29 PolarHBondContact O-N 3.48Å; I27-Y35 PolarHBondContact N-O 3.46Å; I27-L37 HydrophobicContact CD1-CB 4.49Å; I27-L37 HydrophobicContact CG2-CB 3.91Å; I27-M51 HydrophobicContact CD1-CE 3.61Å; I27-M51 HydrophobicContact CD1-CG 4.13Å; I27-M51 HydrophobicContact CD1-SD 4.22Å; I27-L99 HydrophobicContact CD1-CD2 4.34Å; I27-E100 CarbonylContact C-O 3.5Å; I27-E100 WeakPolarHBondContact CA-O 3.46Å; I27-E100 VanDerWaalsContact CB-O 3.3Å; I27-E100 WeakPolarHBondContact CB-O 3.44Å
28E93Very high93.3Very high90 Ų9050.9 Ų50.942%0.42126%0.259SS..EExtended strand (participates in β ladder)trans-79.2110.9171.5-67.4-65.5168.900108.5E100E28-E100 HydrophobicContact CB-CB 4.05Å; E28-E100 HydrophobicContact CB-CG 3.96Å; E28-E100 HydrophobicContact CG-CG 4.27Å; E28-E100 PolarHBondContact N-O 2.83Å
29F85.9Confident93.5Very high113 Ų11349 Ų4950%0.49624%0.244SC..SBendtrans-136-28.4-179.5-170.5-92.6000112.3I27 Y35 M51I27-F29 PolarHBondContact O-N 3.48Å; F29-Y35 HydrophobicContact CB-CD1 4.31Å; F29-Y35 HydrophobicContact CB-CD2 3.72Å; F29-Y35 HydrophobicContact CB-CE2 4.27Å; F29-Y35 HydrophobicContact CB-CG 3.75Å; F29-Y35 AromaticContact CD1-CD1 3.93Å; F29-Y35 HydrophobicContact CD1-CD1 3.93Å; F29-Y35 AromaticContact CD1-CD2 3.96Å; F29-Y35 HydrophobicContact CD1-CD2 3.96Å; F29-Y35 AromaticContact CD1-CE1 3.64Å; F29-Y35 HydrophobicContact CD1-CE1 3.64Å; F29-Y35 AromaticContact CD1-CE2 3.68Å; F29-Y35 HydrophobicContact CD1-CE2 3.68Å; F29-Y35 HydrophobicContact CD1-CG 4.08Å; F29-Y35 AromaticContact CD1-CZ 3.51Å; F29-Y35 HydrophobicContact CE1-CE1 4.03Å; F29-Y35 HydrophobicContact CG-CD1 4.24Å; F29-Y35 HydrophobicContact CG-CD2 4.24Å; F29-Y35 HydrophobicContact CG-CE1 4.39Å; F29-Y35 HydrophobicContact CG-CE2 4.41Å; F29-Y35 HydrophobicContact CG-CG 4.16Å; F29-M51 HydrophobicContact CD2-SD 4.5Å; F29-M51 HydrophobicContact CE2-SD 4.42Å
30S83.9Confident93.5Very high46 Ų4648.2 Ų48.232%0.32224%0.24SC..  trans-151.1151.8176.6-177.30000110Q32S30-Q32 VanDerWaalsContact C-N 3.35Å; S30-Q32 PolarHBondContact OG-N 2.77Å
31V78.9Confident93.6Very high154 Ų15443.6 Ų43.693%0.93322%0.216SC*.SBendtrans-75.4-25.5177.1-174.10000112.1
32Q82.4Confident93.6Very high177 Ų17744.5 Ų44.583%0.82722%0.221SC*.SBendtrans-96.7-38.1-171.6-72-178.2-13.900113.6S30S30-Q32 VanDerWaalsContact C-N 3.35Å; S30-Q32 PolarHBondContact OG-N 2.77Å
33D88.4Confident93.6Very high42 Ų4251.3 Ų51.323%0.22525%0.247CC..SBendtrans-116.2145-173.4-64.4-55.2000110Y35 K53D33-Y35 HydrophobicContact CB-CD2 4.49Å; D33-Y35 HydrophobicContact CB-CE2 3.83Å; D33-Y35 WeakPolarHBondContact O-CD2 3.13Å; D33-K53 HydrophobicContact CB-CG 4.32Å; D33-K53 IonicContact OD1-NZ 3.98Å; D33-K53 WeakPolarHBondContact OD2-CE 3.31Å; D33-K53 IonicContact OD2-NZ 2.72Å; D33-K53 PolarHBondContact OD2-NZ 2.84Å
34R93.2Very high93.6Very high139 Ų13954.9 Ų54.953%0.52527%0.271SS..EExtended strand (participates in β ladder)trans-84.5142.7175.6-67.4-174.5-177.4171.7-0.5110.2E26 H54E26-R34 IonicContact OE1-NE 3.89Å; R34-H54 HydrophobicContact CB-CB 4.2Å; R34-H54 PolarHBondContact N-O 2.81Å; R34-H54 PolarHBondContact O-N 2.77Å
35Y96.8Very high93.5Very high21 Ų2159.2 Ų59.28%0.08230%0.295CS..EExtended strand (participates in β ladder)trans-123.4138.7175.6-74.5-102.2000110E26 I27 F29 D33 M51 V52 K53 T66E26-Y35 WeakPolarHBondContact CA-O 3.46Å; I27-Y35 PolarHBondContact N-O 3.46Å; F29-Y35 HydrophobicContact CB-CD1 4.31Å; F29-Y35 HydrophobicContact CB-CD2 3.72Å; F29-Y35 HydrophobicContact CB-CE2 4.27Å; F29-Y35 HydrophobicContact CB-CG 3.75Å; F29-Y35 AromaticContact CD1-CD1 3.93Å; F29-Y35 HydrophobicContact CD1-CD1 3.93Å; F29-Y35 AromaticContact CD1-CD2 3.96Å; F29-Y35 HydrophobicContact CD1-CD2 3.96Å; F29-Y35 AromaticContact CD1-CE1 3.64Å; F29-Y35 HydrophobicContact CD1-CE1 3.64Å; F29-Y35 AromaticContact CD1-CE2 3.68Å; F29-Y35 HydrophobicContact CD1-CE2 3.68Å; F29-Y35 HydrophobicContact CD1-CG 4.08Å; F29-Y35 AromaticContact CD1-CZ 3.51Å; F29-Y35 HydrophobicContact CE1-CE1 4.03Å; F29-Y35 HydrophobicContact CG-CD1 4.24Å; F29-Y35 HydrophobicContact CG-CD2 4.24Å; F29-Y35 HydrophobicContact CG-CE1 4.39Å; F29-Y35 HydrophobicContact CG-CE2 4.41Å; F29-Y35 HydrophobicContact CG-CG 4.16Å; D33-Y35 HydrophobicContact CB-CD2 4.49Å; D33-Y35 HydrophobicContact CB-CE2 3.83Å; D33-Y35 WeakPolarHBondContact O-CD2 3.13Å; Y35-M51 HydrophobicContact CD1-CG 4.31Å; Y35-V52 CarbonylContact C-O 3.59Å; Y35-V52 WeakPolarHBondContact CA-O 3.48Å; Y35-K53 HydrophobicContact CD1-CB 4.15Å; Y35-K53 HydrophobicContact CE1-CB 3.71Å; Y35-K53 HydrophobicContact CE1-CD 4.47Å; Y35-K53 HydrophobicContact CE1-CG 3.97Å; Y35-K53 HydrophobicContact CE2-CG 4.28Å; Y35-T66 HydrophobicContact CE1-CG2 4.1Å
36Y97.6Very high93.5Very high4 Ų463.7 Ų63.72%0.01632%0.316CS..EExtended strand (participates in β ladder)trans-117.5137175.2-58.1-63.6000110V5 L9 F24 I25 E26 M51 V52 H54 Y63V5-Y36 HydrophobicContact CG1-CE1 4.46Å; V5-Y36 HydrophobicContact CG1-CE2 4.08Å; L9-Y36 HydrophobicContact CD1-CD2 4.13Å; L9-Y36 HydrophobicContact CD1-CG 4.35Å; F24-Y36 AromaticContact CD2-CD1 3.96Å; F24-Y36 HydrophobicContact CD2-CD1 3.96Å; F24-Y36 HydrophobicContact CD2-CE1 4.48Å; F24-Y36 HydrophobicContact CD2-CG 4.34Å; F24-Y36 HydrophobicContact CE2-CD1 4.34Å; F24-Y36 HydrophobicContact CE2-CE1 4.42Å; I25-Y36 CarbonylContact O-C 3.51Å; I25-Y36 WeakPolarHBondContact O-CA 3.4Å; E26-Y36 HydrophobicContact CB-CD1 4.03Å; E26-Y36 HydrophobicContact CB-CE1 3.9Å; E26-Y36 HydrophobicContact CG-CD1 4.38Å; E26-Y36 HydrophobicContact CG-CE1 4.02Å; Y36-M51 CarbonylContact O-C 3.57Å; Y36-M51 WeakPolarHBondContact O-CA 3.44Å; Y36-V52 PolarHBondContact N-O 2.91Å; Y36-V52 PolarHBondContact O-N 3.27Å; Y36-H54 HydrophobicContact CD2-CB 3.88Å; Y36-H54 HydrophobicContact CE2-CB 3.39Å; Y36-H54 AromaticContact CE2-CG 3.68Å; Y36-H54 AromaticContact CE2-ND1 3.48Å; Y36-H54 WeakPolarHBondContact CE2-ND1 3.5Å; Y36-H54 AromaticContact CZ-ND1 3.82Å; Y36-H54 PolarHBondContact OH-ND1 2.64Å; Y36-Y63 HydrophobicContact CE2-CE1 4.28Å
37L98.2Very high93.7Very high0 Ų061.9 Ų61.90%031%0.307CS..EExtended strand (participates in β ladder)trans-102.2111.9166.5-170.569.8000108.2F24 I25 I27 I49 M51 W69 F89 L91 L99 F110F24-L37 WeakPolarHBondContact CA-O 3.48Å; I25-L37 HydrophobicContact CD1-CB 4.43Å; I25-L37 HydrophobicContact CD1-CD2 4.36Å; I25-L37 HydrophobicContact CG1-CB 3.84Å; I25-L37 PolarHBondContact N-O 3.04Å; I25-L37 PolarHBondContact O-N 2.73Å; I27-L37 HydrophobicContact CD1-CB 4.49Å; I27-L37 HydrophobicContact CG2-CB 3.91Å; L37-I49 HydrophobicContact CD1-CG2 3.75Å; L37-I49 HydrophobicContact CG-CG2 4.24Å; L37-M51 HydrophobicContact CD1-CB 4.48Å; L37-W69 HydrophobicContact CD1-CZ3 4.16Å; L37-F89 HydrophobicContact CD2-CE2 4.07Å; L37-F89 HydrophobicContact CD2-CZ 3.86Å; L37-L91 HydrophobicContact CD2-CD1 4.24Å; L37-L99 HydrophobicContact CD1-CD1 4.49Å; L37-L99 HydrophobicContact CD2-CD1 3.85Å; L37-F110 HydrophobicContact CD2-CD1 4.39Å; L37-F110 HydrophobicContact CD2-CD2 3.81Å; L37-F110 HydrophobicContact CD2-CE1 4Å; L37-F110 HydrophobicContact CD2-CE2 3.33Å; L37-F110 HydrophobicContact CD2-CG 4.31Å; L37-F110 HydrophobicContact CD2-CZ 3.45Å; L37-F110 VanDerWaalsContact CD2-CZ 3.45Å; L37-F110 HydrophobicContact CG-CD2 4.22Å; L37-F110 HydrophobicContact CG-CE2 3.62Å; L37-F110 HydrophobicContact CG-CZ 4.1Å
38C98.2Very high93.7Very high0 Ų063 Ų630%031%0.312CS..EExtended strand (participates in β ladder)trans-109144.9-173.7-59.90000110.6F14 L21 E23 F24 I49 I50F14-C38 HydrophobicContact CE1-CB 4.29Å; F14-C38 HydrophobicContact CE2-CB 4.21Å; F14-C38 HydrophobicContact CZ-CB 3.47Å; F14-C38 VanDerWaalsContact CZ-CB 3.47Å; L21-C38 HydrophobicContact CD1-CB 3.76Å; E23-C38 CarbonylContact O-C 3.46Å; E23-C38 WeakPolarHBondContact O-CA 3.4Å; F24-C38 HydrophobicContact CB-CB 4.47Å; C38-I49 CarbonylContact O-C 3.46Å; C38-I49 WeakPolarHBondContact O-CA 3.22Å; C38-I50 PolarHBondContact N-O 3.3Å; C38-I50 PolarHBondContact O-N 3.47Å
39V98.3Very high94Very high0 Ų058.7 Ų58.70%029%0.292CS..EExtended strand (participates in β ladder)trans-117.9125.8170-166.50000108.5C22 E23 V47 K48 F110 T113 V114 L117C22-V39 WeakPolarHBondContact CB-O 3.45Å; C22-V39 PolarHBondContact N-O 2.88Å; E23-V39 PolarHBondContact N-O 2.83Å; E23-V39 PolarHBondContact O-N 2.92Å; V39-V47 HydrophobicContact CG1-CG1 3.9Å; V39-K48 WeakPolarHBondContact CA-O 3.32Å; V39-F110 HydrophobicContact CG2-CD2 3.78Å; V39-F110 HydrophobicContact CG2-CE2 3.32Å; V39-F110 HydrophobicContact CG2-CZ 4.17Å; V39-T113 HydrophobicContact CB-CG2 4.44Å; V39-V114 HydrophobicContact CG2-CG2 3.89Å; V39-L117 HydrophobicContact CB-CD1 4.37Å; V39-L117 HydrophobicContact CG1-CD1 3.42Å; V39-L117 VanDerWaalsContact CG1-CD1 3.42Å
40S98.1Very high94.6Very high0 Ų053.4 Ų53.40%027%0.269CS..EExtended strand (participates in β ladder)trans-135156.3-176.462.90000112.1Q19 N20 V47 K48Q19-S40 PolarHBondContact OE1-OG 2.62Å; N20-S40 CarbonylContact O-C 3.5Å; N20-S40 WeakPolarHBondContact O-CA 3.27Å; N20-S40 VanDerWaalsContact O-CB 3.31Å; N20-S40 WeakPolarHBondContact O-CB 3.28Å; S40-V47 CarbonylContact O-C 3.57Å; S40-V47 WeakPolarHBondContact O-CA 3.45Å; S40-K48 PolarHBondContact N-O 3.2Å; S40-K48 PolarHBondContact O-N 3.4Å
41V98.3Very high95.2Very high9 Ų951.2 Ų51.26%0.05525%0.254CS..EExtended strand (participates in β ladder)trans-116.1131.9175.5-177.30000108.8Q19 N20 V47 L117 Y121Q19-V41 CarbonylContact C-O 3.51Å; Q19-V41 WeakPolarHBondContact CA-O 3.41Å; N20-V41 PolarHBondContact N-O 3.43Å; N20-V41 PolarHBondContact O-N 3.1Å; V41-V47 HydrophobicContact CG2-CG2 4.29Å; V41-L117 HydrophobicContact CG2-CD1 4.45Å; V41-L117 HydrophobicContact CG2-CD2 3.94Å; V41-Y121 HydrophobicContact CG1-CE1 4.04Å; V41-Y121 HydrophobicContact CG1-CE2 4.24Å; V41-Y121 HydrophobicContact CG2-CD2 4.48Å; V41-Y121 HydrophobicContact CG2-CE2 3.87Å
42T97.4Very high96.1Very high21 Ų2143.9 Ų43.913%0.12921%0.209CC..EExtended strand (participates in β ladder)trans-81168.1176.364.50000111.5Q19 T44 D45 E46 K48Q19-T42 HydrophobicContact CG-CG2 4.06Å; T42-T44 PolarHBondContact O-N 2.88Å; T42-T44 PolarHBondContact OG1-N 2.81Å; T42-T44 PolarHBondContact OG1-OG1 3.36Å; T42-D45 PolarHBondContact O-N 2.94Å; T42-D45 VanDerWaalsContact O-N 3.12Å; T42-E46 HydrophobicContact CG2-CB 4.18Å; T42-E46 PolarHBondContact N-O 2.79Å; T42-E46 WeakPolarHBondContact OG1-CA 3.4Å; T42-E46 VanDerWaalsContact OG1-CB 3.3Å; T42-E46 WeakPolarHBondContact OG1-CB 3.34Å; T42-E46 PolarHBondContact OG1-N 2.81Å; T42-E46 PolarHBondContact OG1-O 2.9Å; T42-K48 HydrophobicContact CG2-CG 4.15Å
43K94.8Very high96.8Very high176 Ų17637.6 Ų37.677%0.76518%0.179SC*.THydrogen-bonded Turntrans-62.2-20.1171.6-76.1-176.1174.5175.50114.6A18 D45A18-K43 HydrophobicContact CB-CD 3.88Å; A18-K43 HydrophobicContact CB-CG 4.21Å; K43-D45 VanDerWaalsContact C-N 3.29Å
44T95.6Very high97.1Very high104 Ų10436.4 Ų36.464%0.63817%0.172SC*.THydrogen-bonded Turntrans-98.322.7177.554.70000111.3T42 E46T42-T44 PolarHBondContact O-N 2.88Å; T42-T44 PolarHBondContact OG1-N 2.81Å; T42-T44 PolarHBondContact OG1-OG1 3.36Å; T44-E46 PolarHBondContact O-N 2.91Å
45D95.6Very high97.1Very high102 Ų10233.4 Ų33.455%0.54516%0.161SC..SBendtrans61.113.4177-64.2-29.1000115.4T42 K43 Y121T42-D45 PolarHBondContact O-N 2.94Å; T42-D45 VanDerWaalsContact O-N 3.12Å; K43-D45 VanDerWaalsContact C-N 3.29Å; D45-Y121 HydrophobicContact CB-CD1 3.79Å; D45-Y121 HydrophobicContact CB-CE1 3.96Å
46E97.4Very high96.8Very high94 Ų9439.2 Ų39.244%0.43918%0.183SC..  trans-75.6131.4170.8-53.3-175.1158.700110.7T42 T44 K48T42-E46 HydrophobicContact CG2-CB 4.18Å; T42-E46 PolarHBondContact N-O 2.79Å; T42-E46 WeakPolarHBondContact OG1-CA 3.4Å; T42-E46 VanDerWaalsContact OG1-CB 3.3Å; T42-E46 WeakPolarHBondContact OG1-CB 3.34Å; T42-E46 PolarHBondContact OG1-N 2.81Å; T42-E46 PolarHBondContact OG1-O 2.9Å; T44-E46 PolarHBondContact O-N 2.91Å; E46-K48 WeakPolarHBondContact OE2-CE 3.33Å; E46-K48 IonicContact OE2-NZ 2.69Å; E46-K48 PolarHBondContact OE2-NZ 2.9Å
47V98.3Very high96.5Very high3 Ų343.1 Ų43.12%0.01821%0.207CC..EExtended strand (participates in β ladder)trans-92.9126.6175.4-171.20000110V39 S40 V41 L71 L117 Y121V39-V47 HydrophobicContact CG1-CG1 3.9Å; S40-V47 CarbonylContact O-C 3.57Å; S40-V47 WeakPolarHBondContact O-CA 3.45Å; V41-V47 HydrophobicContact CG2-CG2 4.29Å; V47-L71 HydrophobicContact CB-CB 3.78Å; V47-L71 HydrophobicContact CB-CD2 3.86Å; V47-L71 HydrophobicContact CB-CG 4.46Å; V47-L71 HydrophobicContact CG1-CB 3.9Å; V47-L71 HydrophobicContact CG1-CD2 3.6Å; V47-L71 HydrophobicContact CG1-CG 4.4Å; V47-L71 HydrophobicContact CG2-CD2 4.29Å; V47-L71 PolarHBondContact O-N 2.81Å; V47-L117 HydrophobicContact CG1-CB 4.1Å; V47-L117 HydrophobicContact CG1-CD1 3.93Å; V47-L117 HydrophobicContact CG2-CB 4.27Å; V47-Y121 HydrophobicContact CG2-CD2 3.63Å; V47-Y121 HydrophobicContact CG2-CE2 4.49Å; V47-Y121 HydrophobicContact CG2-CG 3.85Å
48K98.4Very high96.2Very high27 Ų2746.1 Ų46.112%0.11724%0.239CC..EExtended strand (participates in β ladder)trans-118.9135.8-179.4-56.6-58.8179.9-1670111.2V39 S40 T42 E46 I50 W69V39-K48 WeakPolarHBondContact CA-O 3.32Å; S40-K48 PolarHBondContact N-O 3.2Å; S40-K48 PolarHBondContact O-N 3.4Å; T42-K48 HydrophobicContact CG2-CG 4.15Å; E46-K48 WeakPolarHBondContact OE2-CE 3.33Å; E46-K48 IonicContact OE2-NZ 2.69Å; E46-K48 PolarHBondContact OE2-NZ 2.9Å; K48-I50 HydrophobicContact CB-CD1 4.19Å; K48-I50 HydrophobicContact CB-CG1 4.07Å; K48-W69 WeakPolarHBondContact CA-O 3.3Å
49I98.5Very high95.7Very high0 Ų053.5 Ų53.50%028%0.277CS..EExtended strand (participates in β ladder)trans-101.3125168.2-59.3169.5000107.1L37 C38 K68 W69 L71 L74 L91 F93 F110 V114L37-I49 HydrophobicContact CD1-CG2 3.75Å; L37-I49 HydrophobicContact CG-CG2 4.24Å; C38-I49 CarbonylContact O-C 3.46Å; C38-I49 WeakPolarHBondContact O-CA 3.22Å; I49-K68 WeakPolarHBondContact O-CA 3.38Å; I49-W69 HydrophobicContact CB-CE3 4.32Å; I49-W69 HydrophobicContact CG2-CE3 3.97Å; I49-W69 HydrophobicContact CG2-CZ3 4.34Å; I49-W69 PolarHBondContact N-O 3.32Å; I49-W69 PolarHBondContact O-N 3.02Å; I49-L71 HydrophobicContact CD1-CD1 4.06Å; I49-L74 HydrophobicContact CD1-CD2 3.96Å; I49-L91 HydrophobicContact CG2-CD1 4.5Å; I49-F93 HydrophobicContact CD1-CZ 4.11Å; I49-F110 HydrophobicContact CD1-CZ 4.35Å; I49-F110 HydrophobicContact CG2-CE2 4.35Å; I49-F110 HydrophobicContact CG2-CZ 4.11Å; I49-V114 HydrophobicContact CD1-CG2 4.44Å
50I98.3Very high95.3Very high2 Ų256.7 Ų56.71%0.0129%0.294CS..EExtended strand (participates in β ladder)trans-131.3125.2-170.8-47.5-166.6000109.5F14 C38 K48 V52 V65 K67 K68F14-I50 HydrophobicContact CE1-CD1 3.92Å; C38-I50 PolarHBondContact N-O 3.3Å; C38-I50 PolarHBondContact O-N 3.47Å; K48-I50 HydrophobicContact CB-CD1 4.19Å; K48-I50 HydrophobicContact CB-CG1 4.07Å; I50-V52 HydrophobicContact CG2-CG2 3.91Å; I50-V65 HydrophobicContact CG2-CB 4.29Å; I50-V65 HydrophobicContact CG2-CG1 3.57Å; I50-V65 HydrophobicContact CG2-CG2 3.83Å; I50-K67 WeakPolarHBondContact CA-O 3.4Å; I50-K68 HydrophobicContact CD1-CD 4.39Å; I50-K68 HydrophobicContact CD1-CG 4.39Å; I50-K68 HydrophobicContact CG1-CG 4.22Å
51M97.8Very high95Very high1 Ų159.3 Ų59.31%0.00531%0.307CS..EExtended strand (participates in β ladder)trans-91.5125.3169.8-170.3179.1-78.100108.9I27 F29 Y35 Y36 L37 T66 K67 W69 L99I27-M51 HydrophobicContact CD1-CE 3.61Å; I27-M51 HydrophobicContact CD1-CG 4.13Å; I27-M51 HydrophobicContact CD1-SD 4.22Å; F29-M51 HydrophobicContact CD2-SD 4.5Å; F29-M51 HydrophobicContact CE2-SD 4.42Å; Y35-M51 HydrophobicContact CD1-CG 4.31Å; Y36-M51 CarbonylContact O-C 3.57Å; Y36-M51 WeakPolarHBondContact O-CA 3.44Å; L37-M51 HydrophobicContact CD1-CB 4.48Å; M51-T66 WeakPolarHBondContact CG-OG1 3.32Å; M51-T66 PolarHBondContact O-N 3.15Å; M51-T66 PolarHBondContact O-OG1 2.8Å; M51-K67 HydrophobicContact CB-CB 3.89Å; M51-K67 HydrophobicContact CB-CG 4.46Å; M51-K67 HydrophobicContact CE-CD 4.47Å; M51-K67 PolarHBondContact N-O 3.38Å; M51-K67 PolarHBondContact O-N 3.43Å; M51-K67 HydrophobicContact SD-CD 4.12Å; M51-K67 HydrophobicContact SD-CG 4.3Å; M51-W69 HydrophobicContact CB-CH2 4.34Å; M51-W69 HydrophobicContact CB-CZ3 4.12Å; M51-W69 HydrophobicContact CE-CH2 4.01Å; M51-L99 HydrophobicContact CE-CD2 3.61Å
52V97.7Very high94.8Very high0 Ų062.9 Ų62.90%032%0.321CS..EExtended strand (participates in β ladder)trans-122.4123.5-173.7-177.70000108.9L9 L13 Y35 Y36 I50 Y63 E64L9-V52 HydrophobicContact CD2-CG1 4.07Å; L13-V52 HydrophobicContact CD2-CB 4.34Å; L13-V52 HydrophobicContact CD2-CG1 3.78Å; L13-V52 HydrophobicContact CD2-CG2 3.53Å; Y35-V52 CarbonylContact C-O 3.59Å; Y35-V52 WeakPolarHBondContact CA-O 3.48Å; Y36-V52 PolarHBondContact N-O 2.91Å; Y36-V52 PolarHBondContact O-N 3.27Å; I50-V52 HydrophobicContact CG2-CG2 3.91Å; V52-Y63 HydrophobicContact CG1-CD1 4.07Å; V52-Y63 HydrophobicContact CG1-CG 4.39Å; V52-E64 CarbonylContact C-O 3.48Å; V52-E64 WeakPolarHBondContact CA-O 3.36Å
53K96.5Very high94.7Very high44 Ų4463.3 Ų63.319%0.19132%0.321CS..EExtended strand (participates in β ladder)trans-81.6130.9167.6-177.6-176.5-178.3173.10109D33 Y35 Y55 Y63 E64 T66D33-K53 HydrophobicContact CB-CG 4.32Å; D33-K53 IonicContact OD1-NZ 3.98Å; D33-K53 WeakPolarHBondContact OD2-CE 3.31Å; D33-K53 IonicContact OD2-NZ 2.72Å; D33-K53 PolarHBondContact OD2-NZ 2.84Å; Y35-K53 HydrophobicContact CD1-CB 4.15Å; Y35-K53 HydrophobicContact CE1-CB 3.71Å; Y35-K53 HydrophobicContact CE1-CD 4.47Å; Y35-K53 HydrophobicContact CE1-CG 3.97Å; Y35-K53 HydrophobicContact CE2-CG 4.28Å; K53-Y55 HydrophobicContact CD-CD1 4.2Å; K53-Y55 HydrophobicContact CG-CD1 4.12Å; K53-Y63 CarbonylContact O-C 3.58Å; K53-Y63 WeakPolarHBondContact O-CA 3.17Å; K53-E64 HydrophobicContact CB-CB 4.44Å; K53-E64 PolarHBondContact N-O 3.41Å; K53-E64 PolarHBondContact O-N 2.8Å; K53-T66 HydrophobicContact CB-CG2 3.66Å
54H94.9Very high94.8Very high18 Ų1859.6 Ų59.68%0.08331%0.306CS..EExtended strand (participates in β ladder)trans-114124.2174.3173.1-145.7000109.5R34 Y36 E61 K62 Y63R34-H54 HydrophobicContact CB-CB 4.2Å; R34-H54 PolarHBondContact N-O 2.81Å; R34-H54 PolarHBondContact O-N 2.77Å; Y36-H54 HydrophobicContact CD2-CB 3.88Å; Y36-H54 HydrophobicContact CE2-CB 3.39Å; Y36-H54 AromaticContact CE2-CG 3.68Å; Y36-H54 AromaticContact CE2-ND1 3.48Å; Y36-H54 WeakPolarHBondContact CE2-ND1 3.5Å; Y36-H54 AromaticContact CZ-ND1 3.82Å; Y36-H54 PolarHBondContact OH-ND1 2.64Å; H54-E61 IonicContact CE1-OE2 3.15Å; H54-E61 IonicContact NE2-OE2 3.15Å; H54-E61 PolarHBondContact NE2-OE2 3.24Å; H54-E61 VanDerWaalsContact NE2-OE2 3.15Å; H54-K62 WeakPolarHBondContact CA-O 2.99Å; H54-K62 PolarHBondContact CD2-O 2.84Å; H54-Y63 HydrophobicContact CB-CD1 3.94Å; H54-Y63 HydrophobicContact CB-CE1 3.96Å; H54-Y63 AromaticContact CD2-CD1 3.89Å; H54-Y63 AromaticContact CD2-CE1 3.41Å; H54-Y63 VanDerWaalsContact CD2-CE1 3.41Å; H54-Y63 WeakPolarHBondContact CD2-CE1 3.36Å; H54-Y63 AromaticContact CD2-CZ 3.83Å; H54-Y63 AromaticContact CG-CE1 3.65Å; H54-Y63 AromaticContact NE2-CE1 3.95Å; H54-Y63 AromaticContact NE2-CZ 4Å
55Y92.6Very high94.8Very high75 Ų7557.4 Ų57.429%0.29429%0.293SS..EExtended strand (participates in β ladder)trans-148.1157.7-178.764-80.2000110.1K53 V57 K62 E64K53-Y55 HydrophobicContact CD-CD1 4.2Å; K53-Y55 HydrophobicContact CG-CD1 4.12Å; Y55-V57 HydrophobicContact CD2-CG2 3.83Å; Y55-V57 HydrophobicContact CE2-CG2 3.63Å; Y55-K62 HydrophobicContact CD1-CB 4.23Å; Y55-K62 HydrophobicContact CD2-CB 4.09Å; Y55-K62 HydrophobicContact CE1-CB 3.8Å; Y55-K62 HydrophobicContact CE2-CB 3.66Å; Y55-K62 HydrophobicContact CE2-CG 4.04Å; Y55-K62 HydrophobicContact CG-CB 4.36Å; Y55-K62 PolarHBondContact N-O 2.91Å; Y55-K62 WeakPolarHBondContact O-CA 2.86Å; Y55-K62 WeakPolarHBondContact O-CB 3.46Å; Y55-K62 PolarHBondContact O-N 3.45Å; Y55-E64 HydrophobicContact CE1-CB 3.97Å
56R91.1Very high94.9Very high143 Ų14355.1 Ų55.154%0.5428%0.282SS..EExtended strand (participates in β ladder)trans-109.7133.5-176-171.7172.7171.7162.50.2111G58 L59 E61R56-G58 WeakPolarHBondContact CG-O 3.28Å; R56-G58 PolarHBondContact NE-O 3.06Å; R56-L59 VanDerWaalsContact NH2-CD2 3.27Å; R56-E61 IonicContact NE-OE1 3.96Å; R56-E61 IonicContact NH1-OE1 3.78Å
57V90.6Very high94.9Very high86 Ų8654.4 Ų54.452%0.52128%0.278SS..EExtended strand (participates in β ladder)trans-118.599.4172.5-176.10000108.2Y55 L59 D60 K62Y55-V57 HydrophobicContact CD2-CG2 3.83Å; Y55-V57 HydrophobicContact CE2-CG2 3.63Å; V57-L59 PolarHBondContact O-N 2.93Å; V57-D60 PolarHBondContact N-O 3.19Å; V57-D60 PolarHBondContact O-N 2.89Å; V57-D60 VanDerWaalsContact O-N 3.11Å; V57-K62 HydrophobicContact CB-CG 4.49Å; V57-K62 HydrophobicContact CG2-CG 4.06Å
58G91.1Very high94.8Very high64 Ų6459.6 Ų59.666%0.6630%0.3SS*.THydrogen-bonded Turntrans67-112-173.600000111.7R56R56-G58 WeakPolarHBondContact CG-O 3.28Å; R56-G58 PolarHBondContact NE-O 3.06Å
59L88.6Confident94.8Very high155 Ų15559.6 Ų59.681%0.81230%0.299SS*.THydrogen-bonded Turntrans-101.1-2.7175.1-62.4-179.3000113.3R56 V57R56-L59 VanDerWaalsContact NH2-CD2 3.27Å; V57-L59 PolarHBondContact O-N 2.93Å
60D89.9Confident94.8Very high67 Ų6760.8 Ų60.836%0.35831%0.308SS..EExtended strand (participates in β ladder)trans-99.2128.9-175.7-166.525.6000111.7K12 V57 K62K12-D60 IonicContact NZ-OD1 3.81Å; V57-D60 PolarHBondContact N-O 3.19Å; V57-D60 PolarHBondContact O-N 2.89Å; V57-D60 VanDerWaalsContact O-N 3.11Å; D60-K62 WeakPolarHBondContact OD2-CE 3.38Å; D60-K62 IonicContact OD2-NZ 2.62Å; D60-K62 PolarHBondContact OD2-NZ 3.11Å
61E91.3Very high94.8Very high55 Ų5560.7 Ų60.726%0.25731%0.307SS..EExtended strand (participates in β ladder)trans-85.5123.2174.9-56.3-61.2170.500109.5K12 H54 R56K12-E61 PolarHBondContact NZ-O 3.4Å; H54-E61 IonicContact CE1-OE2 3.15Å; H54-E61 IonicContact NE2-OE2 3.15Å; H54-E61 PolarHBondContact NE2-OE2 3.24Å; H54-E61 VanDerWaalsContact NE2-OE2 3.15Å; R56-E61 IonicContact NE-OE1 3.96Å; R56-E61 IonicContact NH1-OE1 3.78Å
62K93.7Very high94.7Very high83 Ų8365.2 Ų65.236%0.36133%0.331SS..EExtended strand (participates in β ladder)trans-114.3144.9-176.7-63.2-58.6-163.8-1710111.3H54 Y55 V57 D60H54-K62 WeakPolarHBondContact CA-O 2.99Å; H54-K62 PolarHBondContact CD2-O 2.84Å; Y55-K62 HydrophobicContact CD1-CB 4.23Å; Y55-K62 HydrophobicContact CD2-CB 4.09Å; Y55-K62 HydrophobicContact CE1-CB 3.8Å; Y55-K62 HydrophobicContact CE2-CB 3.66Å; Y55-K62 HydrophobicContact CE2-CG 4.04Å; Y55-K62 HydrophobicContact CG-CB 4.36Å; Y55-K62 PolarHBondContact N-O 2.91Å; Y55-K62 WeakPolarHBondContact O-CA 2.86Å; Y55-K62 WeakPolarHBondContact O-CB 3.46Å; Y55-K62 PolarHBondContact O-N 3.45Å; V57-K62 HydrophobicContact CB-CG 4.49Å; V57-K62 HydrophobicContact CG2-CG 4.06Å; D60-K62 WeakPolarHBondContact OD2-CE 3.38Å; D60-K62 IonicContact OD2-NZ 2.62Å; D60-K62 PolarHBondContact OD2-NZ 3.11Å
63Y96.1Very high94.7Very high31 Ų3169.7 Ų69.712%0.12236%0.355CS..EExtended strand (participates in β ladder)trans-127.2130.1177.3-56.2-83.2000109.9D8 L9 K12 Y36 V52 K53 H54D8-Y63 WeakPolarHBondContact OD2-CE2 3.49Å; D8-Y63 PolarHBondContact OD2-OH 3.21Å; L9-Y63 HydrophobicContact CD2-CD1 3.32Å; L9-Y63 HydrophobicContact CD2-CE1 3.55Å; L9-Y63 HydrophobicContact CD2-CG 3.85Å; L9-Y63 HydrophobicContact CG-CD1 4.1Å; L9-Y63 HydrophobicContact CG-CE1 3.78Å; K12-Y63 HydrophobicContact CB-CD2 4.22Å; K12-Y63 HydrophobicContact CD-CD2 4.12Å; K12-Y63 HydrophobicContact CD-CE2 3.86Å; Y36-Y63 HydrophobicContact CE2-CE1 4.28Å; V52-Y63 HydrophobicContact CG1-CD1 4.07Å; V52-Y63 HydrophobicContact CG1-CG 4.39Å; K53-Y63 CarbonylContact O-C 3.58Å; K53-Y63 WeakPolarHBondContact O-CA 3.17Å; H54-Y63 HydrophobicContact CB-CD1 3.94Å; H54-Y63 HydrophobicContact CB-CE1 3.96Å; H54-Y63 AromaticContact CD2-CD1 3.89Å; H54-Y63 AromaticContact CD2-CE1 3.41Å; H54-Y63 VanDerWaalsContact CD2-CE1 3.41Å; H54-Y63 WeakPolarHBondContact CD2-CE1 3.36Å; H54-Y63 AromaticContact CD2-CZ 3.83Å; H54-Y63 AromaticContact CG-CE1 3.65Å; H54-Y63 AromaticContact NE2-CE1 3.95Å; H54-Y63 AromaticContact NE2-CZ 4Å
64E96Very high94.8Very high98 Ų9867.7 Ų67.746%0.45835%0.347SS..EExtended strand (participates in β ladder)trans-126.6130.6179.2179.2-176.9-170.500109.9V52 K53 Y55 T66V52-E64 CarbonylContact C-O 3.48Å; V52-E64 WeakPolarHBondContact CA-O 3.36Å; K53-E64 HydrophobicContact CB-CB 4.44Å; K53-E64 PolarHBondContact N-O 3.41Å; K53-E64 PolarHBondContact O-N 2.8Å; Y55-E64 HydrophobicContact CE1-CB 3.97Å; E64-T66 PolarHBondContact O-N 2.82Å
65V97.4Very high95Very high58 Ų5872.8 Ų72.835%0.35237%0.37SS..EExtended strand (participates in β ladder)trans-77.8115.9175175.20000109.2L13 I50 K68L13-V65 HydrophobicContact CD1-CG2 3.93Å; L13-V65 HydrophobicContact CD2-CG2 4.08Å; L13-V65 HydrophobicContact CG-CG2 4.48Å; I50-V65 HydrophobicContact CG2-CB 4.29Å; I50-V65 HydrophobicContact CG2-CG1 3.57Å; I50-V65 HydrophobicContact CG2-CG2 3.83Å; V65-K68 HydrophobicContact CG1-CB 4.29Å
66T96.4Very high95.2Very high54 Ų5471.3 Ų71.333%0.33137%0.367SS..EExtended strand (participates in β ladder)trans-96.7-31.1179.459.90000112.5Y35 M51 K53 E64Y35-T66 HydrophobicContact CE1-CG2 4.1Å; M51-T66 WeakPolarHBondContact CG-OG1 3.32Å; M51-T66 PolarHBondContact O-N 3.15Å; M51-T66 PolarHBondContact O-OG1 2.8Å; K53-T66 HydrophobicContact CB-CG2 3.66Å; E64-T66 PolarHBondContact O-N 2.82Å
67K96.8Very high95.5Very high78 Ų7864.5 Ų64.534%0.33934%0.341SS..EExtended strand (participates in β ladder)trans-145149.3174.3-55.6-173.3-175.4-60.50110.6I50 M51 W69 Y97I50-K67 WeakPolarHBondContact CA-O 3.4Å; M51-K67 HydrophobicContact CB-CB 3.89Å; M51-K67 HydrophobicContact CB-CG 4.46Å; M51-K67 HydrophobicContact CE-CD 4.47Å; M51-K67 PolarHBondContact N-O 3.38Å; M51-K67 PolarHBondContact O-N 3.43Å; M51-K67 HydrophobicContact SD-CD 4.12Å; M51-K67 HydrophobicContact SD-CG 4.3Å; K67-W69 HydrophobicContact CB-CD2 4.49Å; K67-W69 HydrophobicContact CB-CE3 4.33Å; K67-W69 HydrophobicContact CB-CH2 3.42Å; K67-W69 VanDerWaalsContact CB-CH2 3.42Å; K67-W69 HydrophobicContact CB-CZ2 3.57Å; K67-W69 HydrophobicContact CB-CZ3 3.81Å; K67-W69 HydrophobicContact CD-CH2 3.47Å; K67-W69 VanDerWaalsContact CD-CH2 3.47Å; K67-W69 HydrophobicContact CD-CZ2 3.33Å; K67-W69 HydrophobicContact CG-CH2 4.05Å; K67-W69 HydrophobicContact CG-CZ2 4.05Å; K67-Y97 HydrophobicContact CD-CD1 4.35Å; K67-Y97 HydrophobicContact CD-CE1 3.94Å
68K97.4Very high95.9Very high113 Ų11361.7 Ų61.749%0.49132%0.323SS..EExtended strand (participates in β ladder)trans-144.8132177.6-179.6174.7-179.1178.40109I49 I50 V65I49-K68 WeakPolarHBondContact O-CA 3.38Å; I50-K68 HydrophobicContact CD1-CD 4.39Å; I50-K68 HydrophobicContact CD1-CG 4.39Å; I50-K68 HydrophobicContact CG1-CG 4.22Å; V65-K68 HydrophobicContact CG1-CB 4.29Å
69W98.3Very high96.2Very high27 Ų2758.6 Ų58.610%0.10229%0.292CS..EExtended strand (participates in β ladder)trans-132.6151178.9-54.5-84.9000110.7L37 K48 I49 M51 K67 F93 Y97L37-W69 HydrophobicContact CD1-CZ3 4.16Å; K48-W69 WeakPolarHBondContact CA-O 3.3Å; I49-W69 HydrophobicContact CB-CE3 4.32Å; I49-W69 HydrophobicContact CG2-CE3 3.97Å; I49-W69 HydrophobicContact CG2-CZ3 4.34Å; I49-W69 PolarHBondContact N-O 3.32Å; I49-W69 PolarHBondContact O-N 3.02Å; M51-W69 HydrophobicContact CB-CH2 4.34Å; M51-W69 HydrophobicContact CB-CZ3 4.12Å; M51-W69 HydrophobicContact CE-CH2 4.01Å; K67-W69 HydrophobicContact CB-CD2 4.49Å; K67-W69 HydrophobicContact CB-CE3 4.33Å; K67-W69 HydrophobicContact CB-CH2 3.42Å; K67-W69 VanDerWaalsContact CB-CH2 3.42Å; K67-W69 HydrophobicContact CB-CZ2 3.57Å; K67-W69 HydrophobicContact CB-CZ3 3.81Å; K67-W69 HydrophobicContact CD-CH2 3.47Å; K67-W69 VanDerWaalsContact CD-CH2 3.47Å; K67-W69 HydrophobicContact CD-CZ2 3.33Å; K67-W69 HydrophobicContact CG-CH2 4.05Å; K67-W69 HydrophobicContact CG-CZ2 4.05Å; W69-F93 HydrophobicContact CB-CD1 4.2Å; W69-F93 HydrophobicContact CB-CE1 3.48Å; W69-F93 VanDerWaalsContact CB-CE1 3.48Å; W69-F93 HydrophobicContact CB-CE2 4.21Å; W69-F93 HydrophobicContact CB-CZ 3.47Å; W69-F93 VanDerWaalsContact CB-CZ 3.47Å; W69-F93 AromaticContact CD2-CE2 3.93Å; W69-F93 HydrophobicContact CD2-CE2 3.93Å; W69-F93 HydrophobicContact CD2-CZ 4.03Å; W69-F93 HydrophobicContact CE3-CE2 4.45Å; W69-F93 HydrophobicContact CE3-CZ 4.46Å; W69-F93 HydrophobicContact CG-CD1 4.36Å; W69-F93 HydrophobicContact CG-CD2 4.31Å; W69-F93 AromaticContact CG-CE1 3.92Å; W69-F93 HydrophobicContact CG-CE1 3.92Å; W69-F93 AromaticContact CG-CE2 3.83Å; W69-F93 HydrophobicContact CG-CE2 3.83Å; W69-F93 AromaticContact CG-CZ 3.62Å; W69-F93 HydrophobicContact CG-CZ 3.62Å; W69-Y97 AromaticContact CE2-CE2 3.92Å; W69-Y97 AromaticContact CE2-CZ 3.94Å; W69-Y97 AromaticContact CZ2-CD1 3.84Å; W69-Y97 HydrophobicContact CZ2-CD1 3.84Å; W69-Y97 HydrophobicContact CZ2-CD2 4.03Å; W69-Y97 AromaticContact CZ2-CE1 3.68Å; W69-Y97 HydrophobicContact CZ2-CE1 3.68Å; W69-Y97 AromaticContact CZ2-CE2 3.86Å; W69-Y97 HydrophobicContact CZ2-CE2 3.86Å; W69-Y97 HydrophobicContact CZ2-CG 4.01Å; W69-Y97 AromaticContact CZ2-CZ 3.66Å; W69-Y97 AromaticContact NE1-CE2 3.52Å; W69-Y97 AromaticContact NE1-CZ 3.59Å
70S97.9Very high96.4Very high25 Ų2555.2 Ų55.218%0.17527%0.27CS..EExtended strand (participates in β ladder)trans-79.6139.3165.1-159.50000108.9D72 D73S70-D72 PolarHBondContact O-N 2.93Å; S70-D73 WeakPolarHBondContact CB-OD2 3.32Å; S70-D73 PolarHBondContact O-N 3.3Å
71L97.9Very high96.3Very high0 Ų057 Ų570%028%0.276CS..G310 helixtrans-61.7-29.2169.5178.156000110.9V47 I49 D73 L74 V114 L117 N118 L122 K124 L126V47-L71 HydrophobicContact CB-CB 3.78Å; V47-L71 HydrophobicContact CB-CD2 3.86Å; V47-L71 HydrophobicContact CB-CG 4.46Å; V47-L71 HydrophobicContact CG1-CB 3.9Å; V47-L71 HydrophobicContact CG1-CD2 3.6Å; V47-L71 HydrophobicContact CG1-CG 4.4Å; V47-L71 HydrophobicContact CG2-CD2 4.29Å; V47-L71 PolarHBondContact O-N 2.81Å; I49-L71 HydrophobicContact CD1-CD1 4.06Å; L71-D73 PolarHBondContact O-N 2.84Å; L71-L74 HydrophobicContact CD1-CB 4.01Å; L71-L74 HydrophobicContact CD1-CD2 3.6Å; L71-L74 HydrophobicContact CD1-CG 4.46Å; L71-L74 VanDerWaalsContact O-CB 3.3Å; L71-L74 WeakPolarHBondContact O-CB 3.17Å; L71-L74 PolarHBondContact O-N 3.24Å; L71-V114 HydrophobicContact CD1-CG1 3.37Å; L71-V114 HydrophobicContact CD2-CG1 4.23Å; L71-V114 HydrophobicContact CG-CG1 4.47Å; L71-L117 HydrophobicContact CD2-CB 4.35Å; L71-N118 HydrophobicContact CD2-CB 4.16Å; L71-L122 HydrophobicContact CB-CD1 3.79Å; L71-L122 HydrophobicContact CD2-CD1 3.52Å; L71-L122 HydrophobicContact CG-CD1 3.43Å; L71-L122 VanDerWaalsContact CG-CD1 3.43Å; L71-K124 WeakPolarHBondContact O-CE 3.31Å; L71-K124 PolarHBondContact O-NZ 3.06Å; L71-L126 HydrophobicContact CD1-CD2 4.46Å
72D97.2Very high95.9Very high96 Ų9655.9 Ų55.951%0.51328%0.277SS..G310 helixtrans-57.8-33.4175.9-165.345.9000112.8S70 L74 L122 K124S70-D72 PolarHBondContact O-N 2.93Å; D72-L74 VanDerWaalsContact C-N 3.33Å; D72-L74 PolarHBondContact O-N 2.94Å; D72-L122 HydrophobicContact CB-CD2 3.78Å; D72-L122 WeakPolarHBondContact OD1-CD2 3.35Å; D72-K124 VanDerWaalsContact C-NZ 3.26Å; D72-K124 PolarHBondContact O-NZ 2.87Å
73D97.9Very high95.4Very high94 Ų9460 Ų6050%0.50330%0.303SS..G310 helixtrans-79-13.1178.4-59-46.9000113.7S70 L71 Q75 F93S70-D73 WeakPolarHBondContact CB-OD2 3.32Å; S70-D73 PolarHBondContact O-N 3.3Å; L71-D73 PolarHBondContact O-N 2.84Å; D73-Q75 PolarHBondContact O-N 3.45Å; D73-F93 HydrophobicContact CB-CD1 3.89Å; D73-F93 HydrophobicContact CB-CE1 4.44Å
74L98.4Very high94.9Very high1 Ų161.8 Ų61.81%0.00532%0.317CS..  trans-76.6120.5-177.5-174.168.6000110.4I49 L71 D72 I77 L91 F93 V114 K124 L126I49-L74 HydrophobicContact CD1-CD2 3.96Å; L71-L74 HydrophobicContact CD1-CB 4.01Å; L71-L74 HydrophobicContact CD1-CD2 3.6Å; L71-L74 HydrophobicContact CD1-CG 4.46Å; L71-L74 VanDerWaalsContact O-CB 3.3Å; L71-L74 WeakPolarHBondContact O-CB 3.17Å; L71-L74 PolarHBondContact O-N 3.24Å; D72-L74 VanDerWaalsContact C-N 3.33Å; D72-L74 PolarHBondContact O-N 2.94Å; L74-I77 HydrophobicContact CD2-CD1 4.03Å; L74-I77 HydrophobicContact CD2-CG1 3.77Å; L74-L91 HydrophobicContact CD1-CB 4.02Å; L74-L91 HydrophobicContact CD1-CD2 4.32Å; L74-F93 HydrophobicContact CB-CD1 4.07Å; L74-F93 HydrophobicContact CB-CE1 3.6Å; L74-F93 HydrophobicContact CB-CZ 4.19Å; L74-F93 HydrophobicContact CD1-CD1 4.11Å; L74-F93 HydrophobicContact CD1-CD2 4.1Å; L74-F93 HydrophobicContact CD1-CE1 3.74Å; L74-F93 HydrophobicContact CD1-CE2 3.76Å; L74-F93 HydrophobicContact CD1-CG 4.28Å; L74-F93 HydrophobicContact CD1-CZ 3.57Å; L74-F93 HydrophobicContact CG-CE1 4.25Å; L74-F93 HydrophobicContact CG-CZ 4.39Å; L74-V114 HydrophobicContact CD2-CG1 4.01Å; L74-K124 PolarHBondContact O-NZ 3.35Å; L74-L126 HydrophobicContact CB-CD1 4.41Å; L74-L126 HydrophobicContact CD2-CD1 4Å; L74-L126 HydrophobicContact CD2-CD2 4.42Å; L74-L126 HydrophobicContact CG-CD1 3.97Å; L74-L126 WeakPolarHBondContact O-CD1 3.39Å
75Q97.7Very high94.5Very high125 Ų12563.9 Ų63.958%0.58433%0.331SS*.  trans-92.2-38.8-178.8-60.7177.83.700111.7D73 H92 H127D73-Q75 PolarHBondContact O-N 3.45Å; Q75-H92 WeakPolarHBondContact CB-O 3.23Å; Q75-H92 PolarHBondContact N-O 2.96Å; Q75-H127 PolarHBondContact O-N 3.48Å
76M97.9Very high94.2Very high45 Ų4562 Ų6222%0.22232%0.319CS..EExtended strand (participates in β ladder)trans-154.6148.8-175.6-178.2174.174.200112.2D78 H92 H127 V129M76-D78 HydrophobicContact CE-CB 4.22Å; M76-H92 HydrophobicContact CB-CB 3.9Å; M76-H92 WeakPolarHBondContact CE-CE1 3.43Å; M76-H92 WeakPolarHBondContact CE-ND1 3.17Å; M76-H92 WeakPolarHBondContact CE-NE2 3.39Å; M76-H92 PolarHBondContact N-O 3.38Å; M76-H92 WeakPolarHBondContact O-CB 3.31Å; M76-H92 PolarHBondContact O-N 2.9Å; M76-H127 CarbonylContact C-O 3.59Å; M76-H127 WeakPolarHBondContact CA-O 3.2Å; M76-H127 HydrophobicContact CB-CB 4.05Å; M76-H127 HydrophobicContact CG-CB 3.85Å; M76-H127 WeakPolarHBondContact CG-O 3.4Å; M76-H127 HydrophobicContact SD-CB 4.35Å; M76-V129 HydrophobicContact CE-CG2 4.37Å; M76-V129 HydrophobicContact CG-CG2 3.98Å; M76-V129 HydrophobicContact SD-CG1 4.16Å; M76-V129 HydrophobicContact SD-CG2 3.57Å; M76-V129 VanDerWaalsContact SD-CG2 3.57Å
77I98.1Very high94.2Very high0 Ų060.6 Ų60.60%031%0.311CS..EExtended strand (participates in β ladder)trans-113.3121.8162.7-50.2178.6000107.3L74 F89 D90 L91 F110 V114 H127 I128 V129 F131L74-I77 HydrophobicContact CD2-CD1 4.03Å; L74-I77 HydrophobicContact CD2-CG1 3.77Å; I77-F89 HydrophobicContact CG2-CD2 4.39Å; I77-D90 WeakPolarHBondContact CA-O 3.3Å; I77-L91 HydrophobicContact CG1-CD2 4.11Å; I77-L91 HydrophobicContact CG2-CD2 4.12Å; I77-F110 HydrophobicContact CD1-CE1 4.43Å; I77-V114 HydrophobicContact CD1-CB 3.98Å; I77-V114 HydrophobicContact CD1-CG1 3.74Å; I77-H127 PolarHBondContact N-O 3.08Å; I77-I128 HydrophobicContact CB-CG1 4.45Å; I77-I128 HydrophobicContact CD1-CD1 4.48Å; I77-I128 HydrophobicContact CD1-CG1 4.44Å; I77-I128 WeakPolarHBondContact O-CA 3.26Å; I77-V129 PolarHBondContact O-N 2.95Å; I77-F131 HydrophobicContact CB-CE2 4.36Å; I77-F131 HydrophobicContact CG2-CE2 3.7Å; I77-F131 HydrophobicContact CG2-CZ 3.88Å
78D97.9Very high94.2Very high26 Ų2661.2 Ų61.214%0.13931%0.314CS..EExtended strand (participates in β ladder)trans-110114.7178.7-176.2-14.9000109.5M76 K80 F89 D90 V129 N130M76-D78 HydrophobicContact CE-CB 4.22Å; D78-K80 PolarHBondContact O-N 3.28Å; D78-K80 WeakPolarHBondContact OD1-CA 3.45Å; D78-K80 PolarHBondContact OD1-N 2.83Å; D78-F89 CarbonylContact O-C 3.5Å; D78-F89 WeakPolarHBondContact O-CA 3.34Å; D78-F89 WeakPolarHBondContact O-CB 3.37Å; D78-D90 HydrophobicContact CB-CB 4.25Å; D78-D90 PolarHBondContact N-O 3.02Å; D78-D90 PolarHBondContact O-N 3.15Å; D78-V129 HydrophobicContact CB-CG2 3.9Å; D78-N130 WeakPolarHBondContact OD1-CB 3.22Å; D78-N130 PolarHBondContact OD1-ND2 2.94Å
79G96.6Very high94.2Very high0 Ų055.9 Ų55.90%029%0.291CS..  trans-76.95.1179.500000114.9E81 K107 V129 N130G79-E81 PolarHBondContact O-N 2.91Å; G79-K107 PolarHBondContact O-NZ 3.02Å; G79-V129 PolarHBondContact N-O 3.34Å; G79-N130 CarbonylContact C-O 3.48Å; G79-N130 WeakPolarHBondContact CA-O 2.86Å
80K92.9Very high94.2Very high83 Ų8355.1 Ų55.136%0.36129%0.289SS..SBendtrans64.5-67.3-175.6-61.3-60.5-160.1177.70114.2D78 F88 D90D78-K80 PolarHBondContact O-N 3.28Å; D78-K80 WeakPolarHBondContact OD1-CA 3.45Å; D78-K80 PolarHBondContact OD1-N 2.83Å; K80-F88 HydrophobicContact CG-CB 4.15Å; K80-D90 WeakPolarHBondContact CE-OD1 3.43Å; K80-D90 WeakPolarHBondContact CE-OD2 3.38Å; K80-D90 IonicContact NZ-OD1 2.58Å; K80-D90 PolarHBondContact NZ-OD1 2.58Å; K80-D90 VanDerWaalsContact NZ-OD1 3.15Å; K80-D90 IonicContact NZ-OD2 3.93Å; K80-D90 PolarHBondContact NZ-OD2 2.84Å
81E87.9Confident94.3Very high104 Ų10454 Ų5449%0.48628%0.281SS..  trans-135.9117-177-62.8179.5-162.700108.5G79 T84 N86G79-E81 PolarHBondContact O-N 2.91Å; E81-T84 VanDerWaalsContact OE2-CB 3.22Å; E81-T84 WeakPolarHBondContact OE2-CB 3.44Å; E81-T84 PolarHBondContact OE2-OG1 2.83Å; E81-N86 PolarHBondContact O-ND2 2.83Å
82A83.1Confident94.3Very high33 Ų3355.6 Ų55.627%0.27329%0.288SS..SBendtrans-76.5-33.8-179.400000112.5N130A82-N130 PolarHBondContact N-O 2.74Å
83D83.5Confident94.3Very high170 Ų17051.7 Ų51.791%0.90927%0.267SS*.SBendtrans-89-5-172.5-56.2-46.2000113.5
84T85.2Confident94.1Very high68 Ų6857.2 Ų57.242%0.41729%0.286SS..SBendtrans-114.4132.5-177.7-53.50000109.8E81 N86E81-T84 VanDerWaalsContact OE2-CB 3.22Å; E81-T84 WeakPolarHBondContact OE2-CB 3.44Å; E81-T84 PolarHBondContact OE2-OG1 2.83Å; T84-N86 VanDerWaalsContact C-N 3.31Å; T84-N86 HydrophobicContact CG2-CB 4.41Å; T84-N86 PolarHBondContact O-N 2.93Å; T84-N86 PolarHBondContact O-ND2 2.87Å
85D87.3Confident94.1Very high141 Ų14163.8 Ų63.875%0.75432%0.315SS*.  trans-72.285.6173.4-170.919.1000110.7C104D85-C104 WeakPolarHBondContact OD1-CB 3.16Å; D85-C104 PolarHBondContact OD1-SG 3.25Å
86N92.4Very high94Very high18 Ų1861 Ų6110%0.09631%0.306CS..  trans-133.9143.418078.391.1000111.4E81 T84 F88 K107E81-N86 PolarHBondContact O-ND2 2.83Å; T84-N86 VanDerWaalsContact C-N 3.31Å; T84-N86 HydrophobicContact CG2-CB 4.41Å; T84-N86 PolarHBondContact O-N 2.93Å; T84-N86 PolarHBondContact O-ND2 2.87Å; N86-F88 VanDerWaalsContact C-N 3.35Å; N86-F88 HydrophobicContact CB-CD2 4.24Å; N86-F88 PolarHBondContact O-N 3.49Å; N86-F88 PolarHBondContact OD1-N 2.64Å; N86-K107 VanDerWaalsContact O-CE 3.31Å; N86-K107 WeakPolarHBondContact O-CE 3.37Å; N86-K107 PolarHBondContact O-NZ 3.39Å
87P95.8Very high94Very high26 Ų2661.4 Ų61.417%0.16931%0.306CS..  trans-86.63.2-177.432.7-34.7000115E100 A101P87-E100 HydrophobicContact CB-CG 4.39Å; P87-E100 HydrophobicContact CG-CG 3.96Å; P87-A101 HydrophobicContact CB-CB 4.3Å; P87-A101 WeakPolarHBondContact CB-O 3.36Å; P87-A101 PolarHBondContact O-N 3.15Å
88F96.9Very high94Very high91 Ų9165.5 Ų65.540%0.39933%0.334SS..EExtended strand (participates in β ladder)trans-81.7142.2-174.4-60.1-79.2000112.1K80 N86 L99 E100 K107K80-F88 HydrophobicContact CG-CB 4.15Å; N86-F88 VanDerWaalsContact C-N 3.35Å; N86-F88 HydrophobicContact CB-CD2 4.24Å; N86-F88 PolarHBondContact O-N 3.49Å; N86-F88 PolarHBondContact OD1-N 2.64Å; F88-L99 WeakPolarHBondContact CA-O 3.22Å; F88-E100 HydrophobicContact CD1-CB 3.79Å; F88-E100 HydrophobicContact CD1-CG 3.96Å; F88-E100 HydrophobicContact CE1-CB 3.7Å; F88-E100 HydrophobicContact CE1-CG 3.57Å; F88-E100 VanDerWaalsContact CE1-OE2 3.32Å; F88-E100 WeakPolarHBondContact CE1-OE2 3.47Å; F88-E100 HydrophobicContact CZ-CG 4.05Å; F88-K107 WeakPolarHBondContact O-CD 3.42Å
89F98.1Very high94Very high1 Ų164.9 Ų64.90%0.00433%0.331CS..EExtended strand (participates in β ladder)trans-156.7157.117464.2-70.5000111.1I25 L37 I77 D78 L91 L99 A101 K107 F110I25-F89 HydrophobicContact CD1-CE1 4.41Å; I25-F89 HydrophobicContact CD1-CZ 4.09Å; L37-F89 HydrophobicContact CD2-CE2 4.07Å; L37-F89 HydrophobicContact CD2-CZ 3.86Å; I77-F89 HydrophobicContact CG2-CD2 4.39Å; D78-F89 CarbonylContact O-C 3.5Å; D78-F89 WeakPolarHBondContact O-CA 3.34Å; D78-F89 WeakPolarHBondContact O-CB 3.37Å; F89-L91 HydrophobicContact CD2-CD2 4.05Å; F89-L91 HydrophobicContact CD2-CG 4.39Å; F89-L91 HydrophobicContact CE2-CD2 3.95Å; F89-L91 HydrophobicContact CE2-CG 4.13Å; F89-L99 HydrophobicContact CD1-CB 4.19Å; F89-L99 HydrophobicContact CE1-CB 3.71Å; F89-L99 HydrophobicContact CE2-CB 4.15Å; F89-L99 HydrophobicContact CE2-CD1 3.81Å; F89-L99 HydrophobicContact CZ-CB 3.69Å; F89-L99 HydrophobicContact CZ-CD1 3.77Å; F89-L99 HydrophobicContact CZ-CG 4.38Å; F89-L99 PolarHBondContact N-O 3.28Å; F89-L99 PolarHBondContact O-N 2.91Å; F89-L99 VanDerWaalsContact O-O 3.11Å; F89-A101 HydrophobicContact CE1-CB 3.98Å; F89-K107 HydrophobicContact CB-CD 3.94Å; F89-K107 HydrophobicContact CB-CG 3.99Å; F89-K107 HydrophobicContact CD1-CB 4.47Å; F89-K107 HydrophobicContact CD1-CD 4.29Å; F89-K107 HydrophobicContact CD1-CG 3.82Å; F89-K107 HydrophobicContact CG-CD 4.44Å; F89-K107 HydrophobicContact CG-CG 4.02Å; F89-F110 HydrophobicContact CE2-CD1 4.08Å; F89-F110 HydrophobicContact CE2-CE1 4.12Å
90D98.3Very high94Very high11 Ų1168.1 Ų68.16%0.05935%0.346CS..EExtended strand (participates in β ladder)trans-112.4142173.2-68.7-10.5000111.5I77 D78 K80 H92 V96 Y97 S98I77-D90 WeakPolarHBondContact CA-O 3.3Å; D78-D90 HydrophobicContact CB-CB 4.25Å; D78-D90 PolarHBondContact N-O 3.02Å; D78-D90 PolarHBondContact O-N 3.15Å; K80-D90 WeakPolarHBondContact CE-OD1 3.43Å; K80-D90 WeakPolarHBondContact CE-OD2 3.38Å; K80-D90 IonicContact NZ-OD1 2.58Å; K80-D90 PolarHBondContact NZ-OD1 2.58Å; K80-D90 VanDerWaalsContact NZ-OD1 3.15Å; K80-D90 IonicContact NZ-OD2 3.93Å; K80-D90 PolarHBondContact NZ-OD2 2.84Å; D90-H92 WeakPolarHBondContact CB-NE2 3.35Å; D90-H92 IonicContact OD2-NE2 3.88Å; D90-V96 HydrophobicContact CB-CG1 3.89Å; D90-Y97 WeakPolarHBondContact CA-O 3.38Å; D90-S98 WeakPolarHBondContact OD1-CA 3.15Å; D90-S98 WeakPolarHBondContact OD1-CB 3.3Å; D90-S98 PolarHBondContact OD1-OG 3.37Å
91L98.5Very high94.2Very high0 Ų064.2 Ų64.20%033%0.329CS..EExtended strand (participates in β ladder)trans-103.2117.9164.1-57.1-178.5000109.6L37 I49 L74 I77 F89 F93 V96 Y97 L99 F110L37-L91 HydrophobicContact CD2-CD1 4.24Å; I49-L91 HydrophobicContact CG2-CD1 4.5Å; L74-L91 HydrophobicContact CD1-CB 4.02Å; L74-L91 HydrophobicContact CD1-CD2 4.32Å; I77-L91 HydrophobicContact CG1-CD2 4.11Å; I77-L91 HydrophobicContact CG2-CD2 4.12Å; F89-L91 HydrophobicContact CD2-CD2 4.05Å; F89-L91 HydrophobicContact CD2-CG 4.39Å; F89-L91 HydrophobicContact CE2-CD2 3.95Å; F89-L91 HydrophobicContact CE2-CG 4.13Å; L91-F93 HydrophobicContact CB-CD2 4.09Å; L91-F93 HydrophobicContact CB-CE2 3.64Å; L91-F93 HydrophobicContact CD1-CE2 4.06Å; L91-F93 HydrophobicContact CG-CE2 4.49Å; L91-V96 WeakPolarHBondContact O-CA 3.1Å; L91-Y97 PolarHBondContact N-O 2.82Å; L91-Y97 PolarHBondContact O-N 2.96Å; L91-L99 HydrophobicContact CD1-CD1 3.72Å; L91-L99 HydrophobicContact CG-CD1 4.02Å; L91-F110 HydrophobicContact CD1-CZ 4.43Å; L91-F110 HydrophobicContact CD2-CE1 3.87Å; L91-F110 HydrophobicContact CD2-CZ 4.42Å
92H98.3Very high94.5Very high34 Ų3466.3 Ų66.316%0.15733%0.334CS..EExtended strand (participates in β ladder)trans-97.198.3179.7-64.9-114.4000109.4Q75 M76 D90Q75-H92 WeakPolarHBondContact CB-O 3.23Å; Q75-H92 PolarHBondContact N-O 2.96Å; M76-H92 HydrophobicContact CB-CB 3.9Å; M76-H92 WeakPolarHBondContact CE-CE1 3.43Å; M76-H92 WeakPolarHBondContact CE-ND1 3.17Å; M76-H92 WeakPolarHBondContact CE-NE2 3.39Å; M76-H92 PolarHBondContact N-O 3.38Å; M76-H92 WeakPolarHBondContact O-CB 3.31Å; M76-H92 PolarHBondContact O-N 2.9Å; D90-H92 WeakPolarHBondContact CB-NE2 3.35Å; D90-H92 IonicContact OD2-NE2 3.88Å
93F97Very high95Very high14 Ų1466.6 Ų66.66%0.06133%0.334CS..SBendtrans-99.6-149162.8-60.6-87000108.2I49 W69 D73 L74 L91 K95 Y97I49-F93 HydrophobicContact CD1-CZ 4.11Å; W69-F93 HydrophobicContact CB-CD1 4.2Å; W69-F93 HydrophobicContact CB-CE1 3.48Å; W69-F93 VanDerWaalsContact CB-CE1 3.48Å; W69-F93 HydrophobicContact CB-CE2 4.21Å; W69-F93 HydrophobicContact CB-CZ 3.47Å; W69-F93 VanDerWaalsContact CB-CZ 3.47Å; W69-F93 AromaticContact CD2-CE2 3.93Å; W69-F93 HydrophobicContact CD2-CE2 3.93Å; W69-F93 HydrophobicContact CD2-CZ 4.03Å; W69-F93 HydrophobicContact CE3-CE2 4.45Å; W69-F93 HydrophobicContact CE3-CZ 4.46Å; W69-F93 HydrophobicContact CG-CD1 4.36Å; W69-F93 HydrophobicContact CG-CD2 4.31Å; W69-F93 AromaticContact CG-CE1 3.92Å; W69-F93 HydrophobicContact CG-CE1 3.92Å; W69-F93 AromaticContact CG-CE2 3.83Å; W69-F93 HydrophobicContact CG-CE2 3.83Å; W69-F93 AromaticContact CG-CZ 3.62Å; W69-F93 HydrophobicContact CG-CZ 3.62Å; D73-F93 HydrophobicContact CB-CD1 3.89Å; D73-F93 HydrophobicContact CB-CE1 4.44Å; L74-F93 HydrophobicContact CB-CD1 4.07Å; L74-F93 HydrophobicContact CB-CE1 3.6Å; L74-F93 HydrophobicContact CB-CZ 4.19Å; L74-F93 HydrophobicContact CD1-CD1 4.11Å; L74-F93 HydrophobicContact CD1-CD2 4.1Å; L74-F93 HydrophobicContact CD1-CE1 3.74Å; L74-F93 HydrophobicContact CD1-CE2 3.76Å; L74-F93 HydrophobicContact CD1-CG 4.28Å; L74-F93 HydrophobicContact CD1-CZ 3.57Å; L74-F93 HydrophobicContact CG-CE1 4.25Å; L74-F93 HydrophobicContact CG-CZ 4.39Å; L91-F93 HydrophobicContact CB-CD2 4.09Å; L91-F93 HydrophobicContact CB-CE2 3.64Å; L91-F93 HydrophobicContact CD1-CE2 4.06Å; L91-F93 HydrophobicContact CG-CE2 4.49Å; F93-K95 PolarHBondContact N-O 3.4Å; F93-K95 VanDerWaalsContact N-O 3.1Å; F93-K95 PolarHBondContact O-N 3.41Å; F93-Y97 AromaticContact CD2-CD2 3.84Å; F93-Y97 HydrophobicContact CD2-CD2 3.84Å; F93-Y97 HydrophobicContact CD2-CE2 4.02Å; F93-Y97 HydrophobicContact CE2-CD2 4.45Å
94K95Very high95.5Very high210 Ų21059.5 Ų59.591%0.91330%0.297SS*.SBendtrans-57.4-27.2164.2-165.2178.9-175.2178.20112.8
95K96.7Very high95.8Very high139 Ų13959.7 Ų59.760%0.60431%0.306SS*.SBendtrans-121.1146171.4178.9172.7179.4176.60108.4F93 Y97F93-K95 PolarHBondContact N-O 3.4Å; F93-K95 VanDerWaalsContact N-O 3.1Å; F93-K95 PolarHBondContact O-N 3.41Å; K95-Y97 HydrophobicContact CB-CE2 4.01Å; K95-Y97 HydrophobicContact CG-CE2 4.33Å; K95-Y97 WeakPolarHBondContact O-CD2 3.39Å; K95-Y97 WeakPolarHBondContact O-CE2 3.16Å
96V97.6Very high96.2Very high68 Ų6853.4 Ų53.441%0.41227%0.273SS..EExtended strand (participates in β ladder)trans-81.7130.7171.6-174.70000109.5D90 L91D90-V96 HydrophobicContact CB-CG1 3.89Å; L91-V96 WeakPolarHBondContact O-CA 3.1Å
97Y97.7Very high96.4Very high53 Ų5352.5 Ų52.521%0.20827%0.268CS..EExtended strand (participates in β ladder)trans-116.7107.8172.8-63.6-93.1000108.9K67 W69 D90 L91 F93 K95K67-Y97 HydrophobicContact CD-CD1 4.35Å; K67-Y97 HydrophobicContact CD-CE1 3.94Å; W69-Y97 AromaticContact CE2-CE2 3.92Å; W69-Y97 AromaticContact CE2-CZ 3.94Å; W69-Y97 AromaticContact CZ2-CD1 3.84Å; W69-Y97 HydrophobicContact CZ2-CD1 3.84Å; W69-Y97 HydrophobicContact CZ2-CD2 4.03Å; W69-Y97 AromaticContact CZ2-CE1 3.68Å; W69-Y97 HydrophobicContact CZ2-CE1 3.68Å; W69-Y97 AromaticContact CZ2-CE2 3.86Å; W69-Y97 HydrophobicContact CZ2-CE2 3.86Å; W69-Y97 HydrophobicContact CZ2-CG 4.01Å; W69-Y97 AromaticContact CZ2-CZ 3.66Å; W69-Y97 AromaticContact NE1-CE2 3.52Å; W69-Y97 AromaticContact NE1-CZ 3.59Å; D90-Y97 WeakPolarHBondContact CA-O 3.38Å; L91-Y97 PolarHBondContact N-O 2.82Å; L91-Y97 PolarHBondContact O-N 2.96Å; F93-Y97 AromaticContact CD2-CD2 3.84Å; F93-Y97 HydrophobicContact CD2-CD2 3.84Å; F93-Y97 HydrophobicContact CD2-CE2 4.02Å; F93-Y97 HydrophobicContact CE2-CD2 4.45Å; K95-Y97 HydrophobicContact CB-CE2 4.01Å; K95-Y97 HydrophobicContact CG-CE2 4.33Å; K95-Y97 WeakPolarHBondContact O-CD2 3.39Å; K95-Y97 WeakPolarHBondContact O-CE2 3.16Å
98S97.3Very high96.4Very high86 Ų8652.5 Ų52.560%0.60127%0.265SS*.EExtended strand (participates in β ladder)trans-81.1127.2172-58.60000110.2D90D90-S98 WeakPolarHBondContact OD1-CA 3.15Å; D90-S98 WeakPolarHBondContact OD1-CB 3.3Å; D90-S98 PolarHBondContact OD1-OG 3.37Å
99L97.3Very high96.3Very high12 Ų1249.6 Ų49.66%0.06326%0.256CS..EExtended strand (participates in β ladder)trans-130.4152.7-174.1-59.2177.2000109.9I27 L37 M51 F88 F89 L91I27-L99 HydrophobicContact CD1-CD2 4.34Å; L37-L99 HydrophobicContact CD1-CD1 4.49Å; L37-L99 HydrophobicContact CD2-CD1 3.85Å; M51-L99 HydrophobicContact CE-CD2 3.61Å; F88-L99 WeakPolarHBondContact CA-O 3.22Å; F89-L99 HydrophobicContact CD1-CB 4.19Å; F89-L99 HydrophobicContact CE1-CB 3.71Å; F89-L99 HydrophobicContact CE2-CB 4.15Å; F89-L99 HydrophobicContact CE2-CD1 3.81Å; F89-L99 HydrophobicContact CZ-CB 3.69Å; F89-L99 HydrophobicContact CZ-CD1 3.77Å; F89-L99 HydrophobicContact CZ-CG 4.38Å; F89-L99 PolarHBondContact N-O 3.28Å; F89-L99 PolarHBondContact O-N 2.91Å; F89-L99 VanDerWaalsContact O-O 3.11Å; L91-L99 HydrophobicContact CD1-CD1 3.72Å; L91-L99 HydrophobicContact CG-CD1 4.02Å
100E97.1Very high96.2Very high69 Ų6949.6 Ų49.632%0.32226%0.256SS..EExtended strand (participates in β ladder)trans-120.4116.4173.3-179.5173.9-173.700107.3I27 E28 P87 F88I27-E100 CarbonylContact C-O 3.5Å; I27-E100 WeakPolarHBondContact CA-O 3.46Å; I27-E100 VanDerWaalsContact CB-O 3.3Å; I27-E100 WeakPolarHBondContact CB-O 3.44Å; E28-E100 HydrophobicContact CB-CB 4.05Å; E28-E100 HydrophobicContact CB-CG 3.96Å; E28-E100 HydrophobicContact CG-CG 4.27Å; E28-E100 PolarHBondContact N-O 2.83Å; P87-E100 HydrophobicContact CB-CG 4.39Å; P87-E100 HydrophobicContact CG-CG 3.96Å; F88-E100 HydrophobicContact CD1-CB 3.79Å; F88-E100 HydrophobicContact CD1-CG 3.96Å; F88-E100 HydrophobicContact CE1-CB 3.7Å; F88-E100 HydrophobicContact CE1-CG 3.57Å; F88-E100 VanDerWaalsContact CE1-OE2 3.32Å; F88-E100 WeakPolarHBondContact CE1-OE2 3.47Å; F88-E100 HydrophobicContact CZ-CG 4.05Å
101A97Very high96.2Very high1 Ų149 Ų491%0.00825%0.253CS..EExtended strand (participates in β ladder)trans-74.1158.7172.700000110.3I25 P87 F89 S103 K107I25-A101 HydrophobicContact CD1-CB 4.13Å; P87-A101 HydrophobicContact CB-CB 4.3Å; P87-A101 WeakPolarHBondContact CB-O 3.36Å; P87-A101 PolarHBondContact O-N 3.15Å; F89-A101 HydrophobicContact CE1-CB 3.98Å; A101-S103 WeakPolarHBondContact CB-O 3.37Å; A101-S103 PolarHBondContact O-N 3.45Å; A101-S103 VanDerWaalsContact O-N 3.12Å; A101-K107 HydrophobicContact CB-CB 4.09Å
102Y94.1Very high96.1Very high147 Ų14752.5 Ų52.558%0.57627%0.266SS*.SBendtrans-60-25.1172.1-177.9-102.2000113E26E26-Y102 PolarHBondContact O-N 2.98Å
103S94.2Very high96Very high39 Ų3951.6 Ų51.627%0.27326%0.263SS..SBendtrans-155.9157.5175.953.50000111.5A101 A105 S106 K107A101-S103 WeakPolarHBondContact CB-O 3.37Å; A101-S103 PolarHBondContact O-N 3.45Å; A101-S103 VanDerWaalsContact O-N 3.12Å; S103-A105 VanDerWaalsContact C-N 3.27Å; S103-A105 PolarHBondContact O-N 2.89Å; S103-S106 WeakPolarHBondContact O-CB 3.4Å; S103-S106 PolarHBondContact O-N 3.4Å; S103-S106 WeakPolarHBondContact OG-CB 3.48Å; S103-S106 PolarHBondContact OG-N 2.75Å; S103-S106 PolarHBondContact OG-OG 2.96Å; S103-K107 PolarHBondContact O-N 3.36Å; S103-K107 VanDerWaalsContact O-N 3.08Å
104C93.8Very high96Very high21 Ų2151 Ų5114%0.14226%0.26CS..Hα-helixtrans-57-41172.3-173.70000111.9D85 S106 K107 Y108D85-C104 WeakPolarHBondContact OD1-CB 3.16Å; D85-C104 PolarHBondContact OD1-SG 3.25Å; C104-S106 VanDerWaalsContact C-N 3.26Å; C104-S106 PolarHBondContact O-N 2.89Å; C104-K107 VanDerWaalsContact O-CB 3.26Å; C104-K107 WeakPolarHBondContact O-CB 3.46Å; C104-K107 PolarHBondContact O-N 2.93Å; C104-K107 VanDerWaalsContact O-N 3.11Å; C104-Y108 WeakPolarHBondContact O-CD2 3.46Å; C104-Y108 PolarHBondContact O-N 2.98Å
105A92.6Very high96.1Very high73 Ų7342.9 Ų42.960%0.60323%0.227SC*.Hα-helixtrans-57.4-38.6174.100000112.8S103 Y108 S109S103-A105 VanDerWaalsContact C-N 3.27Å; S103-A105 PolarHBondContact O-N 2.89Å; A105-Y108 PolarHBondContact O-N 3.44Å; A105-S109 PolarHBondContact O-N 3.2Å
106S94.8Very high96Very high8 Ų840.9 Ų40.96%0.05622%0.216CC..Hα-helixtrans-68.3-40.9176.8-59.30000111.7M1 S103 C104 Y108 S109 F110M1-S106 WeakPolarHBondContact CE-OG 3.41Å; S103-S106 WeakPolarHBondContact O-CB 3.4Å; S103-S106 PolarHBondContact O-N 3.4Å; S103-S106 WeakPolarHBondContact OG-CB 3.48Å; S103-S106 PolarHBondContact OG-N 2.75Å; S103-S106 PolarHBondContact OG-OG 2.96Å; C104-S106 VanDerWaalsContact C-N 3.26Å; C104-S106 PolarHBondContact O-N 2.89Å; S106-Y108 VanDerWaalsContact C-N 3.35Å; S106-Y108 PolarHBondContact O-N 3.24Å; S106-S109 PolarHBondContact O-N 2.88Å; S106-F110 WeakPolarHBondContact O-CB 3.14Å; S106-F110 PolarHBondContact O-N 3.27Å
107K95.9Very high96Very high0 Ų037.7 Ų37.70%020%0.196CC..Hα-helixtrans-52.4-51.1172-176.6-172.870.4175.20111.3G79 N86 F88 F89 A101 S103 C104 F110 A111 F131G79-K107 PolarHBondContact O-NZ 3.02Å; N86-K107 VanDerWaalsContact O-CE 3.31Å; N86-K107 WeakPolarHBondContact O-CE 3.37Å; N86-K107 PolarHBondContact O-NZ 3.39Å; F88-K107 WeakPolarHBondContact O-CD 3.42Å; F89-K107 HydrophobicContact CB-CD 3.94Å; F89-K107 HydrophobicContact CB-CG 3.99Å; F89-K107 HydrophobicContact CD1-CB 4.47Å; F89-K107 HydrophobicContact CD1-CD 4.29Å; F89-K107 HydrophobicContact CD1-CG 3.82Å; F89-K107 HydrophobicContact CG-CD 4.44Å; F89-K107 HydrophobicContact CG-CG 4.02Å; A101-K107 HydrophobicContact CB-CB 4.09Å; S103-K107 PolarHBondContact O-N 3.36Å; S103-K107 VanDerWaalsContact O-N 3.08Å; C104-K107 VanDerWaalsContact O-CB 3.26Å; C104-K107 WeakPolarHBondContact O-CB 3.46Å; C104-K107 PolarHBondContact O-N 2.93Å; C104-K107 VanDerWaalsContact O-N 3.11Å; K107-F110 PolarHBondContact O-N 3.19Å; K107-A111 PolarHBondContact O-N 3.46Å; K107-A111 VanDerWaalsContact O-N 3.08Å; K107-F131 HydrophobicContact CD-CE1 4.16Å; K107-F131 HydrophobicContact CD-CZ 4.45Å; K107-F131 HydrophobicContact CG-CE1 3.86Å; K107-F131 HydrophobicContact CG-CZ 4.15Å
108Y95.5Very high95.9Very high26 Ų2635.5 Ų35.510%0.10219%0.188CC..Hα-helixtrans-67.4-38.2178.2-83.2-91.6000113.3C104 A105 S106 F110 A111 R112 F131 D132 Y135 I136C104-Y108 WeakPolarHBondContact O-CD2 3.46Å; C104-Y108 PolarHBondContact O-N 2.98Å; A105-Y108 PolarHBondContact O-N 3.44Å; S106-Y108 VanDerWaalsContact C-N 3.35Å; S106-Y108 PolarHBondContact O-N 3.24Å; Y108-F110 VanDerWaalsContact C-N 3.34Å; Y108-F110 PolarHBondContact O-N 3.08Å; Y108-A111 PolarHBondContact O-N 2.97Å; Y108-R112 WeakPolarHBondContact O-CB 3.34Å; Y108-R112 WeakPolarHBondContact O-CG 3.33Å; Y108-R112 PolarHBondContact O-N 3.42Å; Y108-F131 AromaticContact CD1-CD1 3.77Å; Y108-F131 HydrophobicContact CD1-CD1 3.77Å; Y108-F131 HydrophobicContact CD1-CE1 4.46Å; Y108-F131 HydrophobicContact CD2-CD1 4.44Å; Y108-F131 HydrophobicContact CE1-CB 4.02Å; Y108-F131 AromaticContact CE1-CD1 3.59Å; Y108-F131 HydrophobicContact CE1-CD1 3.59Å; Y108-F131 HydrophobicContact CE1-CG 4.3Å; Y108-F131 HydrophobicContact CE2-CD1 4.29Å; Y108-F131 HydrophobicContact CG-CD1 4.21Å; Y108-F131 AromaticContact CZ-CD1 3.86Å; Y108-D132 HydrophobicContact CE1-CB 4.46Å; Y108-D132 PolarHBondContact OH-N 2.87Å; Y108-D132 VanDerWaalsContact OH-N 3.08Å; Y108-Y135 HydrophobicContact CE1-CG 4.45Å; Y108-I136 HydrophobicContact CD1-CD1 3.92Å; Y108-I136 HydrophobicContact CD1-CG1 4.44Å; Y108-I136 HydrophobicContact CE1-CD1 4.37Å; Y108-I136 HydrophobicContact CE1-CG1 4.49Å
109S95.3Very high95.8Very high30 Ų3038.2 Ų38.221%0.2119%0.191CC..Hα-helixtrans-61.5-43.1176.2-157.30000112E23 A105 S106 T113E23-S109 PolarHBondContact OE2-OG 2.8Å; A105-S109 PolarHBondContact O-N 3.2Å; S106-S109 PolarHBondContact O-N 2.88Å; S109-T113 PolarHBondContact O-N 3.24Å; S109-T113 PolarHBondContact O-OG1 2.81Å
110F97.3Very high95.7Very high0 Ų041.2 Ų41.20%021%0.21CC..Hα-helixtrans-62.5-51.4175.9175.6-91.4000111.5I25 L37 V39 I49 I77 F89 L91 S106 K107 Y108 R112 T113 V114I25-F110 HydrophobicContact CD1-CB 3.76Å; I25-F110 HydrophobicContact CD1-CD2 4.27Å; I25-F110 HydrophobicContact CD1-CG 4.07Å; I25-F110 HydrophobicContact CG1-CB 4.31Å; I25-F110 HydrophobicContact CG1-CD2 4.3Å; I25-F110 HydrophobicContact CG2-CB 4.06Å; L37-F110 HydrophobicContact CD2-CD1 4.39Å; L37-F110 HydrophobicContact CD2-CD2 3.81Å; L37-F110 HydrophobicContact CD2-CE1 4Å; L37-F110 HydrophobicContact CD2-CE2 3.33Å; L37-F110 HydrophobicContact CD2-CG 4.31Å; L37-F110 HydrophobicContact CD2-CZ 3.45Å; L37-F110 VanDerWaalsContact CD2-CZ 3.45Å; L37-F110 HydrophobicContact CG-CD2 4.22Å; L37-F110 HydrophobicContact CG-CE2 3.62Å; L37-F110 HydrophobicContact CG-CZ 4.1Å; V39-F110 HydrophobicContact CG2-CD2 3.78Å; V39-F110 HydrophobicContact CG2-CE2 3.32Å; V39-F110 HydrophobicContact CG2-CZ 4.17Å; I49-F110 HydrophobicContact CD1-CZ 4.35Å; I49-F110 HydrophobicContact CG2-CE2 4.35Å; I49-F110 HydrophobicContact CG2-CZ 4.11Å; I77-F110 HydrophobicContact CD1-CE1 4.43Å; F89-F110 HydrophobicContact CE2-CD1 4.08Å; F89-F110 HydrophobicContact CE2-CE1 4.12Å; L91-F110 HydrophobicContact CD1-CZ 4.43Å; L91-F110 HydrophobicContact CD2-CE1 3.87Å; L91-F110 HydrophobicContact CD2-CZ 4.42Å; S106-F110 WeakPolarHBondContact O-CB 3.14Å; S106-F110 PolarHBondContact O-N 3.27Å; K107-F110 PolarHBondContact O-N 3.19Å; Y108-F110 VanDerWaalsContact C-N 3.34Å; Y108-F110 PolarHBondContact O-N 3.08Å; F110-R112 VanDerWaalsContact C-N 3.34Å; F110-R112 PolarHBondContact O-N 2.68Å; F110-T113 PolarHBondContact O-N 3.49Å; F110-V114 HydrophobicContact CD1-CG2 4.25Å; F110-V114 HydrophobicContact CD2-CG2 4.47Å; F110-V114 HydrophobicContact CE1-CG2 3.74Å; F110-V114 HydrophobicContact CE2-CG2 4.02Å; F110-V114 HydrophobicContact CZ-CG2 3.62Å; F110-V114 WeakPolarHBondContact O-CG2 3.14Å; F110-V114 PolarHBondContact O-N 2.95Å
111A97.1Very high95.7Very high0 Ų042.3 Ų42.30%021%0.211CC..Hα-helixtrans-58.5-44.2-179.800000112.1K107 Y108 V114 N115 F131 I136K107-A111 PolarHBondContact O-N 3.46Å; K107-A111 VanDerWaalsContact O-N 3.08Å; Y108-A111 PolarHBondContact O-N 2.97Å; A111-V114 PolarHBondContact O-N 3.24Å; A111-N115 WeakPolarHBondContact O-CB 3.5Å; A111-N115 PolarHBondContact O-N 3.34Å; A111-F131 HydrophobicContact CB-CD1 4.32Å; A111-F131 HydrophobicContact CB-CE1 3.7Å; A111-F131 HydrophobicContact CB-CE2 4.32Å; A111-F131 HydrophobicContact CB-CZ 3.72Å; A111-I136 HydrophobicContact CB-CD1 3.73Å
112R96.2Very high95.6Very high73 Ų7344.8 Ų44.828%0.27522%0.224SC..Hα-helixtrans-58.4-49.3173.8-82.9-170.4-74.6166.5-1.5112.6Y108 F110 V114 N115 R116 Y135 I136 S143Y108-R112 WeakPolarHBondContact O-CB 3.34Å; Y108-R112 WeakPolarHBondContact O-CG 3.33Å; Y108-R112 PolarHBondContact O-N 3.42Å; F110-R112 VanDerWaalsContact C-N 3.34Å; F110-R112 PolarHBondContact O-N 2.68Å; R112-V114 VanDerWaalsContact C-N 3.3Å; R112-V114 PolarHBondContact O-N 2.96Å; R112-N115 PolarHBondContact O-N 3.29Å; R112-R116 WeakPolarHBondContact O-CB 3.48Å; R112-R116 PolarHBondContact O-N 3.19Å; R112-Y135 WeakPolarHBondContact CD-O 3.09Å; R112-Y135 VanDerWaalsContact CG-O 3.22Å; R112-Y135 WeakPolarHBondContact CG-O 3.17Å; R112-I136 HydrophobicContact CG-CD1 4.45Å; R112-S143 PolarHBondContact NH1-OG 3.13Å; R112-S143 VanDerWaalsContact NH1-OG 3.13Å
113T96.7Very high95.6Very high15 Ų1545.9 Ų45.99%0.09223%0.232CC..Hα-helixtrans-61-43.4-180-67.40000111.1C22 E23 V39 S109 F110 R116 L117C22-T113 HydrophobicContact CB-CG2 4.23Å; E23-T113 HydrophobicContact CB-CG2 3.62Å; E23-T113 HydrophobicContact CG-CG2 4.47Å; V39-T113 HydrophobicContact CB-CG2 4.44Å; S109-T113 PolarHBondContact O-N 3.24Å; S109-T113 PolarHBondContact O-OG1 2.81Å; F110-T113 PolarHBondContact O-N 3.49Å; T113-R116 PolarHBondContact O-N 3.42Å; T113-L117 HydrophobicContact CG2-CD1 3.71Å; T113-L117 HydrophobicContact CG2-CG 4.23Å; T113-L117 WeakPolarHBondContact O-CB 3.41Å; T113-L117 VanDerWaalsContact O-CG 3.23Å; T113-L117 WeakPolarHBondContact O-CG 3.43Å; T113-L117 PolarHBondContact O-N 3.03Å
114V97.5Very high95.7Very high0 Ų046.6 Ų46.60%023%0.23CC..Hα-helixtrans-63-44.9177.2173.10000111.3V39 I49 L71 L74 I77 F110 A111 R112 R116 L117 N118 L126V39-V114 HydrophobicContact CG2-CG2 3.89Å; I49-V114 HydrophobicContact CD1-CG2 4.44Å; L71-V114 HydrophobicContact CD1-CG1 3.37Å; L71-V114 HydrophobicContact CD2-CG1 4.23Å; L71-V114 HydrophobicContact CG-CG1 4.47Å; L74-V114 HydrophobicContact CD2-CG1 4.01Å; I77-V114 HydrophobicContact CD1-CB 3.98Å; I77-V114 HydrophobicContact CD1-CG1 3.74Å; F110-V114 HydrophobicContact CD1-CG2 4.25Å; F110-V114 HydrophobicContact CD2-CG2 4.47Å; F110-V114 HydrophobicContact CE1-CG2 3.74Å; F110-V114 HydrophobicContact CE2-CG2 4.02Å; F110-V114 HydrophobicContact CZ-CG2 3.62Å; F110-V114 WeakPolarHBondContact O-CG2 3.14Å; F110-V114 PolarHBondContact O-N 2.95Å; A111-V114 PolarHBondContact O-N 3.24Å; R112-V114 VanDerWaalsContact C-N 3.3Å; R112-V114 PolarHBondContact O-N 2.96Å; V114-R116 PolarHBondContact O-N 2.86Å; V114-L117 PolarHBondContact O-N 3.49Å; V114-N118 WeakPolarHBondContact O-CB 3.38Å; V114-N118 PolarHBondContact O-N 3.49Å; V114-L126 HydrophobicContact CG1-CD2 3.8Å
115N96.1Very high95.6Very high41 Ų4151.8 Ų51.822%0.21926%0.257CS..Hα-helixtrans-59.3-48.2177.2-165.727.9000112A111 R112 L117 N118 H119 I128A111-N115 WeakPolarHBondContact O-CB 3.5Å; A111-N115 PolarHBondContact O-N 3.34Å; R112-N115 PolarHBondContact O-N 3.29Å; N115-L117 PolarHBondContact O-N 2.82Å; N115-N118 WeakPolarHBondContact O-CB 3.32Å; N115-N118 PolarHBondContact O-N 3.22Å; N115-H119 PolarHBondContact O-N 3.44Å; N115-I128 HydrophobicContact CB-CD1 3.5Å; N115-I128 VanDerWaalsContact CB-CD1 3.5Å
116R95.6Very high95.7Very high97 Ų9749 Ų4937%0.36623%0.231SC..Hα-helixtrans-59.6-46.4178.2-175.6-175.662.374.61.2111.5R112 T113 V114 N118 H119 V120R112-R116 WeakPolarHBondContact O-CB 3.48Å; R112-R116 PolarHBondContact O-N 3.19Å; T113-R116 PolarHBondContact O-N 3.42Å; V114-R116 PolarHBondContact O-N 2.86Å; R116-N118 VanDerWaalsContact C-N 3.35Å; R116-H119 PolarHBondContact O-N 2.59Å; R116-V120 VanDerWaalsContact O-CG2 3.3Å; R116-V120 WeakPolarHBondContact O-CG2 3.06Å; R116-V120 PolarHBondContact O-N 3.08Å
117L96.6Very high95.8Very high1 Ų153.1 Ų53.11%0.00525%0.25CC..Hα-helixtrans-68.4-35.4178.6-67.4173.7000112C22 V39 V41 V47 L71 T113 V114 N115 V120 Y121C22-L117 HydrophobicContact CB-CD1 3.96Å; V39-L117 HydrophobicContact CB-CD1 4.37Å; V39-L117 HydrophobicContact CG1-CD1 3.42Å; V39-L117 VanDerWaalsContact CG1-CD1 3.42Å; V41-L117 HydrophobicContact CG2-CD1 4.45Å; V41-L117 HydrophobicContact CG2-CD2 3.94Å; V47-L117 HydrophobicContact CG1-CB 4.1Å; V47-L117 HydrophobicContact CG1-CD1 3.93Å; V47-L117 HydrophobicContact CG2-CB 4.27Å; L71-L117 HydrophobicContact CD2-CB 4.35Å; T113-L117 HydrophobicContact CG2-CD1 3.71Å; T113-L117 HydrophobicContact CG2-CG 4.23Å; T113-L117 WeakPolarHBondContact O-CB 3.41Å; T113-L117 VanDerWaalsContact O-CG 3.23Å; T113-L117 WeakPolarHBondContact O-CG 3.43Å; T113-L117 PolarHBondContact O-N 3.03Å; V114-L117 PolarHBondContact O-N 3.49Å; N115-L117 PolarHBondContact O-N 2.82Å; L117-V120 PolarHBondContact O-N 3.5Å; L117-Y121 HydrophobicContact CB-CD2 4.34Å; L117-Y121 HydrophobicContact CD2-CD2 3.98Å; L117-Y121 HydrophobicContact CD2-CE2 3.57Å; L117-Y121 WeakPolarHBondContact O-CB 3.22Å; L117-Y121 WeakPolarHBondContact O-CD2 3.41Å; L117-Y121 PolarHBondContact O-N 3.16Å
118N96.4Very high95.8Very high7 Ų755 Ų554%0.03726%0.259CS..Iπ-helixtrans-58.9-48.2171.4-178.166.2000111L71 V114 N115 R116 V120 L122 K123 K124 L126L71-N118 HydrophobicContact CD2-CB 4.16Å; V114-N118 WeakPolarHBondContact O-CB 3.38Å; V114-N118 PolarHBondContact O-N 3.49Å; N115-N118 WeakPolarHBondContact O-CB 3.32Å; N115-N118 PolarHBondContact O-N 3.22Å; R116-N118 VanDerWaalsContact C-N 3.35Å; N118-V120 VanDerWaalsContact C-N 3.35Å; N118-V120 PolarHBondContact O-N 3.49Å; N118-L122 PolarHBondContact O-N 3.19Å; N118-K123 PolarHBondContact O-N 3.03Å; N118-K124 PolarHBondContact ND2-O 2.78Å; N118-K124 WeakPolarHBondContact OD1-CE 3.38Å; N118-K124 WeakPolarHBondContact OD1-CG 3.45Å; N118-L126 HydrophobicContact CB-CD2 4.08Å; N118-L126 WeakPolarHBondContact ND2-CB 3.2Å
119H94.5Very high95.9Very high142 Ų14256.1 Ų56.166%0.65727%0.269SS*.Iπ-helixtrans-61.7-40.2178.2-170.882.8000112.9N115 R116 K123N115-H119 PolarHBondContact O-N 3.44Å; R116-H119 PolarHBondContact O-N 2.59Å; H119-K123 WeakPolarHBondContact O-CG 3.48Å
120V95.5Very high95.9Very high76 Ų7658.3 Ų58.346%0.46128%0.278SS..Iπ-helixtrans-72.6-47.1-178.71730000112.3R116 L117 N118R116-V120 VanDerWaalsContact O-CG2 3.3Å; R116-V120 WeakPolarHBondContact O-CG2 3.06Å; R116-V120 PolarHBondContact O-N 3.08Å; L117-V120 PolarHBondContact O-N 3.5Å; N118-V120 VanDerWaalsContact C-N 3.35Å; N118-V120 PolarHBondContact O-N 3.49Å
121Y96.6Very high95.7Very high91 Ų9159.2 Ų59.236%0.35728%0.282SS..Iπ-helixtrans-105.3-35.2-165.9-65.6-76000114.8V41 D45 V47 L117V41-Y121 HydrophobicContact CG1-CE1 4.04Å; V41-Y121 HydrophobicContact CG1-CE2 4.24Å; V41-Y121 HydrophobicContact CG2-CD2 4.48Å; V41-Y121 HydrophobicContact CG2-CE2 3.87Å; D45-Y121 HydrophobicContact CB-CD1 3.79Å; D45-Y121 HydrophobicContact CB-CE1 3.96Å; V47-Y121 HydrophobicContact CG2-CD2 3.63Å; V47-Y121 HydrophobicContact CG2-CE2 4.49Å; V47-Y121 HydrophobicContact CG2-CG 3.85Å; L117-Y121 HydrophobicContact CB-CD2 4.34Å; L117-Y121 HydrophobicContact CD2-CD2 3.98Å; L117-Y121 HydrophobicContact CD2-CE2 3.57Å; L117-Y121 WeakPolarHBondContact O-CB 3.22Å; L117-Y121 WeakPolarHBondContact O-CD2 3.41Å; L117-Y121 PolarHBondContact O-N 3.16Å
122L95.7Very high95.4Very high53 Ų5362 Ų6228%0.27730%0.297SS..Iπ-helixtrans-109.1-34.9-169.7-69.9149.9000113L71 D72 N118 K124L71-L122 HydrophobicContact CB-CD1 3.79Å; L71-L122 HydrophobicContact CD2-CD1 3.52Å; L71-L122 HydrophobicContact CG-CD1 3.43Å; L71-L122 VanDerWaalsContact CG-CD1 3.43Å; D72-L122 HydrophobicContact CB-CD2 3.78Å; D72-L122 WeakPolarHBondContact OD1-CD2 3.35Å; N118-L122 PolarHBondContact O-N 3.19Å; L122-K124 HydrophobicContact CB-CG 4.14Å; L122-K124 PolarHBondContact O-N 2.89Å
123K94.3Very high94.9Very high171 Ų17162.1 Ų62.174%0.74331%0.309SS*.  trans52.125.5-177.2-58.7177.2-178.3177.70114N118 H119N118-K123 PolarHBondContact O-N 3.03Å; H119-K123 WeakPolarHBondContact O-CG 3.48Å
124K95Very high94.4Very high53 Ų5365 Ų6523%0.2333%0.326CS..  trans-84.9158.8173.864168.3-179.8172.40110.9L71 D72 L74 N118 L122 L126L71-K124 WeakPolarHBondContact O-CE 3.31Å; L71-K124 PolarHBondContact O-NZ 3.06Å; D72-K124 VanDerWaalsContact C-NZ 3.26Å; D72-K124 PolarHBondContact O-NZ 2.87Å; L74-K124 PolarHBondContact O-NZ 3.35Å; N118-K124 PolarHBondContact ND2-O 2.78Å; N118-K124 WeakPolarHBondContact OD1-CE 3.38Å; N118-K124 WeakPolarHBondContact OD1-CG 3.45Å; L122-K124 HydrophobicContact CB-CG 4.14Å; L122-K124 PolarHBondContact O-N 2.89Å; K124-L126 PolarHBondContact O-N 3.45Å; K124-L126 VanDerWaalsContact O-N 3.15Å
125D92.6Very high93.8Very high130 Ų13071.8 Ų71.870%0.69535%0.353SS*.  trans-71.9103.9168.8-169.317000109H127D125-H127 IonicContact OD2-CE1 3.41Å; D125-H127 PolarHBondContact OD2-CE1 3.25Å
126L95.6Very high93.4Very high14 Ų1470.3 Ų70.37%0.07335%0.345CS..  trans-104.1117176.7175.466.2000108.1L71 L74 V114 N118 K124 I128L71-L126 HydrophobicContact CD1-CD2 4.46Å; L74-L126 HydrophobicContact CB-CD1 4.41Å; L74-L126 HydrophobicContact CD2-CD1 4Å; L74-L126 HydrophobicContact CD2-CD2 4.42Å; L74-L126 HydrophobicContact CG-CD1 3.97Å; L74-L126 WeakPolarHBondContact O-CD1 3.39Å; V114-L126 HydrophobicContact CG1-CD2 3.8Å; N118-L126 HydrophobicContact CB-CD2 4.08Å; N118-L126 WeakPolarHBondContact ND2-CB 3.2Å; K124-L126 PolarHBondContact O-N 3.45Å; K124-L126 VanDerWaalsContact O-N 3.15Å; L126-I128 HydrophobicContact CD2-CD1 4.34Å; L126-I128 HydrophobicContact CD2-CG1 4.38Å; L126-I128 HydrophobicContact CG-CG1 4.28Å; L126-I128 PolarHBondContact O-N 3.11Å
127H96.4Very high92.6Very high96 Ų9669.4 Ų69.444%0.44435%0.348SS..EExtended strand (participates in β ladder)trans-75.2118.1178.7-61.7-59.6000110.4Q75 M76 I77 D125 V129Q75-H127 PolarHBondContact O-N 3.48Å; M76-H127 CarbonylContact C-O 3.59Å; M76-H127 WeakPolarHBondContact CA-O 3.2Å; M76-H127 HydrophobicContact CB-CB 4.05Å; M76-H127 HydrophobicContact CG-CB 3.85Å; M76-H127 WeakPolarHBondContact CG-O 3.4Å; M76-H127 HydrophobicContact SD-CB 4.35Å; I77-H127 PolarHBondContact N-O 3.08Å; D125-H127 IonicContact OD2-CE1 3.41Å; D125-H127 PolarHBondContact OD2-CE1 3.25Å; H127-V129 HydrophobicContact CB-CG1 4.43Å
128I96.3Very high90.9Very high39 Ų3972.9 Ų72.920%0.237%0.366CS..EExtended strand (participates in β ladder)trans-116.1109.2170.2-60.1-179.1000106.4I77 N115 L126 F131 I136I77-I128 HydrophobicContact CB-CG1 4.45Å; I77-I128 HydrophobicContact CD1-CD1 4.48Å; I77-I128 HydrophobicContact CD1-CG1 4.44Å; I77-I128 WeakPolarHBondContact O-CA 3.26Å; N115-I128 HydrophobicContact CB-CD1 3.5Å; N115-I128 VanDerWaalsContact CB-CD1 3.5Å; L126-I128 HydrophobicContact CD2-CD1 4.34Å; L126-I128 HydrophobicContact CD2-CG1 4.38Å; L126-I128 HydrophobicContact CG-CG1 4.28Å; L126-I128 PolarHBondContact O-N 3.11Å; I128-F131 HydrophobicContact CG2-CB 4.37Å; I128-F131 HydrophobicContact CG2-CD2 3.41Å; I128-F131 VanDerWaalsContact CG2-CD2 3.41Å; I128-F131 HydrophobicContact CG2-CE2 3.9Å; I128-F131 HydrophobicContact CG2-CG 4.06Å; I128-I136 HydrophobicContact CD1-CG2 4.37Å; I128-I136 HydrophobicContact CG2-CD1 4.35Å; I128-I136 HydrophobicContact CG2-CG1 4.37Å; I128-I136 HydrophobicContact CG2-CG2 4.28Å
129V96.2Very high88.8Confident49 Ų4980.1 Ų80.130%0.29741%0.405SS..EExtended strand (participates in β ladder)trans-122.9156.4-170.9-57.70000110.8M76 I77 D78 G79 H127 F131M76-V129 HydrophobicContact CE-CG2 4.37Å; M76-V129 HydrophobicContact CG-CG2 3.98Å; M76-V129 HydrophobicContact SD-CG1 4.16Å; M76-V129 HydrophobicContact SD-CG2 3.57Å; M76-V129 VanDerWaalsContact SD-CG2 3.57Å; I77-V129 PolarHBondContact O-N 2.95Å; D78-V129 HydrophobicContact CB-CG2 3.9Å; G79-V129 PolarHBondContact N-O 3.34Å; H127-V129 HydrophobicContact CB-CG1 4.43Å; V129-F131 WeakPolarHBondContact O-CD2 3.38Å; V129-F131 PolarHBondContact O-N 3.03Å
130N95.6Very high86.4Confident76 Ų7674.6 Ų74.641%0.40638%0.383SS..SBendtrans56.434.5-178.9-53.8-37.5000113.5D78 G79 A82D78-N130 WeakPolarHBondContact OD1-CB 3.22Å; D78-N130 PolarHBondContact OD1-ND2 2.94Å; G79-N130 CarbonylContact C-O 3.48Å; G79-N130 WeakPolarHBondContact CA-O 2.86Å; A82-N130 PolarHBondContact N-O 2.74Å
131F93.8Very high84.1Confident20 Ų2077 Ų779%0.08839%0.392CS..SBendtrans-118.1146.9164.6-72.4-92.8000108.7I77 K107 Y108 A111 I128 V129 S133 I136I77-F131 HydrophobicContact CB-CE2 4.36Å; I77-F131 HydrophobicContact CG2-CE2 3.7Å; I77-F131 HydrophobicContact CG2-CZ 3.88Å; K107-F131 HydrophobicContact CD-CE1 4.16Å; K107-F131 HydrophobicContact CD-CZ 4.45Å; K107-F131 HydrophobicContact CG-CE1 3.86Å; K107-F131 HydrophobicContact CG-CZ 4.15Å; Y108-F131 AromaticContact CD1-CD1 3.77Å; Y108-F131 HydrophobicContact CD1-CD1 3.77Å; Y108-F131 HydrophobicContact CD1-CE1 4.46Å; Y108-F131 HydrophobicContact CD2-CD1 4.44Å; Y108-F131 HydrophobicContact CE1-CB 4.02Å; Y108-F131 AromaticContact CE1-CD1 3.59Å; Y108-F131 HydrophobicContact CE1-CD1 3.59Å; Y108-F131 HydrophobicContact CE1-CG 4.3Å; Y108-F131 HydrophobicContact CE2-CD1 4.29Å; Y108-F131 HydrophobicContact CG-CD1 4.21Å; Y108-F131 AromaticContact CZ-CD1 3.86Å; A111-F131 HydrophobicContact CB-CD1 4.32Å; A111-F131 HydrophobicContact CB-CE1 3.7Å; A111-F131 HydrophobicContact CB-CE2 4.32Å; A111-F131 HydrophobicContact CB-CZ 3.72Å; I128-F131 HydrophobicContact CG2-CB 4.37Å; I128-F131 HydrophobicContact CG2-CD2 3.41Å; I128-F131 VanDerWaalsContact CG2-CD2 3.41Å; I128-F131 HydrophobicContact CG2-CE2 3.9Å; I128-F131 HydrophobicContact CG2-CG 4.06Å; V129-F131 WeakPolarHBondContact O-CD2 3.38Å; V129-F131 PolarHBondContact O-N 3.03Å; F131-S133 PolarHBondContact O-N 3.37Å; F131-S133 VanDerWaalsContact O-N 3.15Å; F131-I136 HydrophobicContact CB-CD1 3.89Å; F131-I136 HydrophobicContact CB-CG1 3.52Å; F131-I136 HydrophobicContact CD1-CD1 3.73Å; F131-I136 HydrophobicContact CD1-CG1 4.33Å; F131-I136 HydrophobicContact CE1-CD1 4.38Å; F131-I136 HydrophobicContact CG-CD1 3.86Å; F131-I136 HydrophobicContact CG-CG1 4.06Å
132D90.1Very high81.7Confident57 Ų5781 Ų8131%0.30541%0.406SS..  trans-66.6114.8166.5178.6-8.7000109.4Y108 T134 Y135 I136Y108-D132 HydrophobicContact CE1-CB 4.46Å; Y108-D132 PolarHBondContact OH-N 2.87Å; Y108-D132 VanDerWaalsContact OH-N 3.08Å; D132-T134 PolarHBondContact O-N 2.8Å; D132-T134 VanDerWaalsContact O-N 3.1Å; D132-T134 WeakPolarHBondContact OD1-CB 3.12Å; D132-T134 PolarHBondContact OD1-N 3.12Å; D132-T134 PolarHBondContact OD1-OG1 3.36Å; D132-Y135 HydrophobicContact CB-CD2 3.84Å; D132-Y135 HydrophobicContact CB-CE2 4.46Å; D132-Y135 PolarHBondContact O-N 3.02Å; D132-Y135 WeakPolarHBondContact OD2-CD2 3.38Å; D132-Y135 VanDerWaalsContact OD2-CE2 3.3Å; D132-Y135 WeakPolarHBondContact OD2-CE2 3.48Å; D132-I136 PolarHBondContact O-N 2.79Å
133S86Confident79.1Confident76 Ų7680.2 Ų80.253%0.53141%0.405SS..Hα-helixtrans-55.2-27.6-178.965.60000113.6F131 Y135 I136 N137F131-S133 PolarHBondContact O-N 3.37Å; F131-S133 VanDerWaalsContact O-N 3.15Å; S133-Y135 PolarHBondContact O-N 3.02Å; S133-I136 PolarHBondContact O-N 2.86Å; S133-N137 PolarHBondContact O-N 3.15Å; S133-N137 VanDerWaalsContact O-N 3.16Å
134T85.5Confident76.6Confident75 Ų7574.8 Ų74.846%0.4639%0.389SS..Hα-helixtrans-61-31.6176.7-46.30000111.6D132 S140D132-T134 PolarHBondContact O-N 2.8Å; D132-T134 VanDerWaalsContact O-N 3.1Å; D132-T134 WeakPolarHBondContact OD1-CB 3.12Å; D132-T134 PolarHBondContact OD1-N 3.12Å; D132-T134 PolarHBondContact OD1-OG1 3.36Å; T134-S140 WeakPolarHBondContact O-CB 3.3Å; T134-S140 PolarHBondContact O-OG 3.45Å
135Y84.9Confident74.4Confident143 Ų14379.7 Ų79.756%0.56142%0.417SS*.Hα-helixtrans-99.7-4.4-178.7-64.5-82.4000113.6Y108 R112 D132 S133Y108-Y135 HydrophobicContact CE1-CG 4.45Å; R112-Y135 WeakPolarHBondContact CD-O 3.09Å; R112-Y135 VanDerWaalsContact CG-O 3.22Å; R112-Y135 WeakPolarHBondContact CG-O 3.17Å; D132-Y135 HydrophobicContact CB-CD2 3.84Å; D132-Y135 HydrophobicContact CB-CE2 4.46Å; D132-Y135 PolarHBondContact O-N 3.02Å; D132-Y135 WeakPolarHBondContact OD2-CD2 3.38Å; D132-Y135 VanDerWaalsContact OD2-CE2 3.3Å; D132-Y135 WeakPolarHBondContact OD2-CE2 3.48Å; S133-Y135 PolarHBondContact O-N 3.02Å
136I88.1Confident72.4Confident10 Ų1080 Ų805%0.05142%0.419CS..Hα-helixtrans-99.3-38.9178.8-66.3-60000112.3Y108 A111 R112 I128 F131 D132 S133 D138Y108-I136 HydrophobicContact CD1-CD1 3.92Å; Y108-I136 HydrophobicContact CD1-CG1 4.44Å; Y108-I136 HydrophobicContact CE1-CD1 4.37Å; Y108-I136 HydrophobicContact CE1-CG1 4.49Å; A111-I136 HydrophobicContact CB-CD1 3.73Å; R112-I136 HydrophobicContact CG-CD1 4.45Å; I128-I136 HydrophobicContact CD1-CG2 4.37Å; I128-I136 HydrophobicContact CG2-CD1 4.35Å; I128-I136 HydrophobicContact CG2-CG1 4.37Å; I128-I136 HydrophobicContact CG2-CG2 4.28Å; F131-I136 HydrophobicContact CB-CD1 3.89Å; F131-I136 HydrophobicContact CB-CG1 3.52Å; F131-I136 HydrophobicContact CD1-CD1 3.73Å; F131-I136 HydrophobicContact CD1-CG1 4.33Å; F131-I136 HydrophobicContact CE1-CD1 4.38Å; F131-I136 HydrophobicContact CG-CD1 3.86Å; F131-I136 HydrophobicContact CG-CG1 4.06Å; D132-I136 PolarHBondContact O-N 2.79Å; S133-I136 PolarHBondContact O-N 2.86Å; I136-D138 PolarHBondContact O-N 3.1Å
137N80.1Confident70.1Confident79 Ų7983.5 Ų83.542%0.42243%0.434SS..SBendtrans-83.8119.9-179-64.7-30.3000109.7S133 D139 S140S133-N137 PolarHBondContact O-N 3.15Å; S133-N137 VanDerWaalsContact O-N 3.16Å; N137-D139 PolarHBondContact O-N 2.96Å; N137-S140 PolarHBondContact O-N 2.69Å; N137-S140 PolarHBondContact O-OG 3.26Å
138D60.8Low67.9Low74 Ų7484.3 Ų84.340%0.39644%0.441SS..THydrogen-bonded Turntrans-60.6-10.9177.2-87.2-26.4000113.3I136 S140 S143I136-D138 PolarHBondContact O-N 3.1Å; D138-S140 PolarHBondContact O-N 3.39Å; D138-S143 WeakPolarHBondContact OD1-CB 3.49Å; D138-S143 PolarHBondContact OD1-OG 3.28Å
139D52Low66Low158 Ų15886.8 Ų86.885%0.84546%0.461SS*.THydrogen-bonded Turntrans-70.4-12.8172.4-64.6-29.2000113N137N137-D139 PolarHBondContact O-N 2.96Å
140S44.2Very low64.2Low27 Ų2789.6 Ų89.619%0.18947%0.474CS..SBendtrans-74.1133.2167.9840000109.3T134 N137 D138 W142T134-S140 WeakPolarHBondContact O-CB 3.3Å; T134-S140 PolarHBondContact O-OG 3.45Å; N137-S140 PolarHBondContact O-N 2.69Å; N137-S140 PolarHBondContact O-OG 3.26Å; D138-S140 PolarHBondContact O-N 3.39Å; S140-W142 PolarHBondContact O-N 2.67Å
141I46.6Very low62.6Low127 Ų12788.5 Ų88.565%0.65147%0.47SS*.THydrogen-bonded Turntrans-51.1-5.9-166.7-70.2161.3000115.8K147I141-K147 PolarHBondContact O-NZ 3.27Å
142W46.1Very low61.3Low174 Ų17493 Ų9366%0.65949%0.494SS*.THydrogen-bonded Turntrans-110-6.3-159.3-52.599.2000115.6S140 S144 V151S140-W142 PolarHBondContact O-N 2.67Å; W142-S144 PolarHBondContact O-N 2.84Å; W142-V151 HydrophobicContact CE3-CG2 4.07Å; W142-V151 HydrophobicContact CZ3-CG1 4.25Å; W142-V151 HydrophobicContact CZ3-CG2 3.62Å
143S42.1Very low60.4Low37 Ų3795.2 Ų95.226%0.25950%0.504SS..  trans-93.560.5-171.1-165.50000115.2R112 D138R112-S143 PolarHBondContact NH1-OG 3.13Å; R112-S143 VanDerWaalsContact NH1-OG 3.13Å; D138-S143 WeakPolarHBondContact OD1-CB 3.49Å; D138-S143 PolarHBondContact OD1-OG 3.28Å
144S41.3Very low59.5Low57 Ų57100.5 Ų100.540%0.39951%0.512SS..  trans-154.5127.7164.7-166.50000112.6W142 N146 K147W142-S144 PolarHBondContact O-N 2.84Å; S144-N146 PolarHBondContact O-N 2.83Å; S144-K147 WeakPolarHBondContact O-CB 3.39Å; S144-K147 PolarHBondContact O-N 3.22Å
145N49Very low59.2Low156 Ų156102 Ų10283%0.83452%0.517SS*.THydrogen-bonded Turntrans-53.1-4.1174.9-81.2-11.4000115.4
146N49.6Very low58.8Low137 Ų13797.7 Ų97.773%0.73351%0.506SS*.THydrogen-bonded Turntrans-103-3.1172.8-73.7-19.7000114S144S144-N146 PolarHBondContact O-N 2.83Å
147K47.6Very low58.2Low86 Ų86103 Ų10337%0.37453%0.529SS..SBendtrans-101-8.9-175.8-66.3-172.5178.4173.90114.4I141 S144 C149 L150 V151I141-K147 PolarHBondContact O-NZ 3.27Å; S144-K147 WeakPolarHBondContact O-CB 3.39Å; S144-K147 PolarHBondContact O-N 3.22Å; K147-C149 PolarHBondContact O-N 3.33Å; K147-L150 HydrophobicContact CG-CD1 4.09Å; K147-L150 WeakPolarHBondContact O-CA 3.45Å; K147-L150 WeakPolarHBondContact O-CB 3.26Å; K147-L150 PolarHBondContact O-N 3.37Å; K147-V151 PolarHBondContact O-N 2.99Å
148D50.7Low58Low114 Ų114106.9 Ų106.961%0.6154%0.539SS*.Hα-helixtrans-55.5-38.8168.6-71.5-18.1000110.1L150 V151 L152D148-L150 VanDerWaalsContact C-N 3.33Å; D148-L150 PolarHBondContact O-N 2.84Å; D148-V151 PolarHBondContact O-N 3.41Å; D148-L152 VanDerWaalsContact O-CB 3.26Å; D148-L152 WeakPolarHBondContact O-CB 2.92Å; D148-L152 PolarHBondContact O-N 3.45Å
149C55.6Low58.9Low91 Ų91105.7 Ų105.762%0.61554%0.54SS*.Hα-helixtrans-59-37.8169.9-82.80000113.5K147 M153K147-C149 PolarHBondContact O-N 3.33Å; C149-M153 WeakPolarHBondContact O-CA 3.49Å; C149-M153 WeakPolarHBondContact O-CB 3.07Å; C149-M153 WeakPolarHBondContact O-CG 3.47Å; C149-M153 PolarHBondContact O-N 2.9Å
150L58.8Low60.1Low108 Ų108104.9 Ų104.957%0.56553%0.529SS*.Hα-helixtrans-75-36.3-178.4-65.6179.1000112.3K147 D148 R154K147-L150 HydrophobicContact CG-CD1 4.09Å; K147-L150 WeakPolarHBondContact O-CA 3.45Å; K147-L150 WeakPolarHBondContact O-CB 3.26Å; K147-L150 PolarHBondContact O-N 3.37Å; D148-L150 VanDerWaalsContact C-N 3.33Å; D148-L150 PolarHBondContact O-N 2.84Å; L150-R154 WeakPolarHBondContact O-CB 3.49Å; L150-R154 PolarHBondContact O-N 2.85Å
151V61.6Low61.6Low52 Ų52108.2 Ų108.232%0.31555%0.545SS..Hα-helixtrans-70.4-47.2174.9178.60000109.9W142 K147 D148 M153 R154 I155W142-V151 HydrophobicContact CE3-CG2 4.07Å; W142-V151 HydrophobicContact CZ3-CG1 4.25Å; W142-V151 HydrophobicContact CZ3-CG2 3.62Å; K147-V151 PolarHBondContact O-N 2.99Å; D148-V151 PolarHBondContact O-N 3.41Å; V151-M153 VanDerWaalsContact C-N 3.3Å; V151-M153 PolarHBondContact O-N 2.8Å; V151-R154 PolarHBondContact O-N 3.27Å; V151-I155 HydrophobicContact CG1-CD1 3.96Å; V151-I155 WeakPolarHBondContact O-CG1 3.33Å; V151-I155 PolarHBondContact O-N 2.81Å
152L66.8Low62.8Low115 Ų115107.6 Ų107.660%0.60254%0.542SS*.Hα-helixtrans-57.5-45.9173.2-13789.2000110.3D148 R154 I155 C156D148-L152 VanDerWaalsContact O-CB 3.26Å; D148-L152 WeakPolarHBondContact O-CB 2.92Å; D148-L152 PolarHBondContact O-N 3.45Å; L152-R154 PolarHBondContact O-N 3.42Å; L152-I155 PolarHBondContact O-N 2.79Å; L152-C156 WeakPolarHBondContact O-CB 3.39Å; L152-C156 PolarHBondContact O-N 3.15Å; L152-C156 PolarHBondContact O-SG 3.2Å
153M71.5Confident64.2Low103 Ų103103 Ų10351%0.50753%0.533SS..Hα-helixtrans-61-43.9177.4-76.3-76-91.900111.4C149 V151 C156 F157C149-M153 WeakPolarHBondContact O-CA 3.49Å; C149-M153 WeakPolarHBondContact O-CB 3.07Å; C149-M153 WeakPolarHBondContact O-CG 3.47Å; C149-M153 PolarHBondContact O-N 2.9Å; V151-M153 VanDerWaalsContact C-N 3.3Å; V151-M153 PolarHBondContact O-N 2.8Å; M153-C156 PolarHBondContact O-N 2.9Å; M153-F157 HydrophobicContact CB-CD2 4.34Å; M153-F157 HydrophobicContact CB-CE2 4.32Å; M153-F157 HydrophobicContact CE-CE2 3.96Å; M153-F157 HydrophobicContact CE-CZ 4.37Å; M153-F157 WeakPolarHBondContact O-CB 3.4Å; M153-F157 WeakPolarHBondContact O-CD2 3.43Å; M153-F157 PolarHBondContact O-N 2.91Å; M153-F157 HydrophobicContact SD-CE2 4.43Å
154R67.3Low65.3Low187 Ų187104.7 Ų104.771%0.70654%0.544SS*.Hα-helixtrans-62.2-44.6175.4-92.1-171.2172.5-152.5-0.7112.3L150 V151 L152 C156 F157 Y158L150-R154 WeakPolarHBondContact O-CB 3.49Å; L150-R154 PolarHBondContact O-N 2.85Å; V151-R154 PolarHBondContact O-N 3.27Å; L152-R154 PolarHBondContact O-N 3.42Å; R154-C156 VanDerWaalsContact C-N 3.33Å; R154-F157 PolarHBondContact O-N 3.35Å; R154-Y158 WeakPolarHBondContact O-CD2 3.05Å; R154-Y158 PolarHBondContact O-N 2.94Å
155I78.4Confident66.5Low108 Ų108108.1 Ų108.155%0.55456%0.557SS**Hα-helixtrans-61.6-45.2176.8-67.1167.7000109.9V151 L152 Y158 A159V151-I155 HydrophobicContact CG1-CD1 3.96Å; V151-I155 WeakPolarHBondContact O-CG1 3.33Å; V151-I155 PolarHBondContact O-N 2.81Å; L152-I155 PolarHBondContact O-N 2.79Å; I155-Y158 PolarHBondContact O-N 3.42Å; I155-A159 WeakPolarHBondContact O-CB 3.34Å; I155-A159 PolarHBondContact O-N 2.82Å
156C76.3Confident67.4Low51 Ų51105 Ų10535%0.34555%0.548SS..Hα-helixtrans-61.4-46175.9-690000111.6L152 M153 R154 Y158 A159 F160L152-C156 WeakPolarHBondContact O-CB 3.39Å; L152-C156 PolarHBondContact O-N 3.15Å; L152-C156 PolarHBondContact O-SG 3.2Å; M153-C156 PolarHBondContact O-N 2.9Å; R154-C156 VanDerWaalsContact C-N 3.33Å; C156-Y158 VanDerWaalsContact C-N 3.33Å; C156-Y158 PolarHBondContact O-N 3.33Å; C156-A159 PolarHBondContact O-N 3.08Å; C156-F160 HydrophobicContact CB-CD2 4.39Å; C156-F160 HydrophobicContact CB-CE2 4.33Å; C156-F160 WeakPolarHBondContact O-CB 3.01Å; C156-F160 WeakPolarHBondContact O-CD2 3.33Å; C156-F160 PolarHBondContact O-N 3.21Å
157F75.7Confident68.3Low122 Ų122104.8 Ų104.854%0.53555%0.546SS..Hα-helixtrans-60.8-40.9177-84.3-64.3000112.3M153 R154 N161M153-F157 HydrophobicContact CB-CD2 4.34Å; M153-F157 HydrophobicContact CB-CE2 4.32Å; M153-F157 HydrophobicContact CE-CE2 3.96Å; M153-F157 HydrophobicContact CE-CZ 4.37Å; M153-F157 WeakPolarHBondContact O-CB 3.4Å; M153-F157 WeakPolarHBondContact O-CD2 3.43Å; M153-F157 PolarHBondContact O-N 2.91Å; M153-F157 HydrophobicContact SD-CE2 4.43Å; R154-F157 PolarHBondContact O-N 3.35Å; F157-N161 WeakPolarHBondContact O-CB 3.46Å; F157-N161 PolarHBondContact O-N 3.34Å; F157-N161 PolarHBondContact O-ND2 3.31Å; F157-N161 VanDerWaalsContact O-ND2 3.08Å
158Y76.8Confident69.1Low161 Ų161104.8 Ų104.863%0.63156%0.555SS**Hα-helixtrans-64.7-44.3174-95.1-80.9000112.1R154 I155 C156 N161 L162R154-Y158 WeakPolarHBondContact O-CD2 3.05Å; R154-Y158 PolarHBondContact O-N 2.94Å; I155-Y158 PolarHBondContact O-N 3.42Å; C156-Y158 VanDerWaalsContact C-N 3.33Å; C156-Y158 PolarHBondContact O-N 3.33Å; Y158-N161 PolarHBondContact O-N 2.96Å; Y158-L162 WeakPolarHBondContact O-CG 3.32Å; Y158-L162 PolarHBondContact O-N 3.32Å
159A78.9Confident69.8Low49 Ų49105 Ų10541%0.40556%0.563SS.*Hα-helixtrans-61.6-44176.400000111.8I155 C156 L162 V163I155-A159 WeakPolarHBondContact O-CB 3.34Å; I155-A159 PolarHBondContact O-N 2.82Å; C156-A159 PolarHBondContact O-N 3.08Å; A159-L162 PolarHBondContact O-N 3.23Å; A159-V163 WeakPolarHBondContact O-CG2 3.49Å; A159-V163 PolarHBondContact O-N 3.45Å
160F78Confident70.1Confident141 Ų141108.5 Ų108.562%0.61858%0.575SS**Hα-helixtrans-62.1-43.9175.2-80-64000112.1C156 L162 V163 C164C156-F160 HydrophobicContact CB-CD2 4.39Å; C156-F160 HydrophobicContact CB-CE2 4.33Å; C156-F160 WeakPolarHBondContact O-CB 3.01Å; C156-F160 WeakPolarHBondContact O-CD2 3.33Å; C156-F160 PolarHBondContact O-N 3.21Å; F160-L162 VanDerWaalsContact C-N 3.34Å; F160-L162 PolarHBondContact O-N 2.86Å; F160-V163 PolarHBondContact O-N 3.12Å; F160-C164 WeakPolarHBondContact O-CB 3.42Å; F160-C164 PolarHBondContact O-N 3.27Å; F160-C164 PolarHBondContact O-SG 2.96Å
161N73.9Confident70.2Confident97 Ų97109.1 Ų109.152%0.51959%0.585SS.*Hα-helixtrans-61.9-40.1176.3-79.1-40.2000112.5F157 Y158 C164 L165F157-N161 WeakPolarHBondContact O-CB 3.46Å; F157-N161 PolarHBondContact O-N 3.34Å; F157-N161 PolarHBondContact O-ND2 3.31Å; F157-N161 VanDerWaalsContact O-ND2 3.08Å; Y158-N161 PolarHBondContact O-N 2.96Å; N161-C164 PolarHBondContact O-N 2.97Å; N161-L165 WeakPolarHBondContact O-CG 3.43Å; N161-L165 PolarHBondContact O-N 3.43Å
162L73.4Confident69.8Low114 Ų114118.3 Ų118.360%0.59763%0.631SS**Hα-helixtrans-65.5-40.6175.9-73166.1000112Y158 A159 F160 L165 S166Y158-L162 WeakPolarHBondContact O-CG 3.32Å; Y158-L162 PolarHBondContact O-N 3.32Å; A159-L162 PolarHBondContact O-N 3.23Å; F160-L162 VanDerWaalsContact C-N 3.34Å; F160-L162 PolarHBondContact O-N 2.86Å; L162-L165 PolarHBondContact O-N 3.08Å; L162-S166 PolarHBondContact O-N 3.2Å; L162-S166 VanDerWaalsContact O-N 3.08Å
163V74.9Confident69.9Low77 Ų77118.5 Ų118.547%0.46763%0.633SS.*Hα-helixtrans-64.6-44.4174.3171.50000110.8A159 F160 L165 S166 L167A159-V163 WeakPolarHBondContact O-CG2 3.49Å; A159-V163 PolarHBondContact O-N 3.45Å; F160-V163 PolarHBondContact O-N 3.12Å; V163-L165 VanDerWaalsContact C-N 3.33Å; V163-L165 PolarHBondContact O-N 3.36Å; V163-S166 PolarHBondContact O-N 2.67Å; V163-S166 VanDerWaalsContact O-N 3.12Å; V163-S166 PolarHBondContact O-OG 3.42Å; V163-L167 HydrophobicContact CG1-CD1 3.82Å; V163-L167 WeakPolarHBondContact O-CG 3.33Å; V163-L167 PolarHBondContact O-N 2.97Å
164C66.1Low69.8Low73 Ų73119.3 Ų119.349%0.49364%0.639SS.*Hα-helixtrans-60.5-40.8176.5-70.20000112.3F160 N161 S166 L167 C168F160-C164 WeakPolarHBondContact O-CB 3.42Å; F160-C164 PolarHBondContact O-N 3.27Å; F160-C164 PolarHBondContact O-SG 2.96Å; N161-C164 PolarHBondContact O-N 2.97Å; C164-S166 VanDerWaalsContact C-N 3.31Å; C164-S166 PolarHBondContact O-N 3.43Å; C164-L167 PolarHBondContact O-N 3.4Å; C164-C168 PolarHBondContact O-N 3.41Å; C164-C168 PolarHBondContact O-SG 3.45Å
165L66.2Low70Confident129 Ų129115.5 Ų115.568%0.67564%0.636SS**Hα-helixtrans-65.2-33.1175-74.6164.9000112.6N161 L162 V163 L167N161-L165 WeakPolarHBondContact O-CG 3.43Å; N161-L165 PolarHBondContact O-N 3.43Å; L162-L165 PolarHBondContact O-N 3.08Å; V163-L165 VanDerWaalsContact C-N 3.33Å; V163-L165 PolarHBondContact O-N 3.36Å; L165-L167 VanDerWaalsContact C-N 3.28Å; L165-L167 PolarHBondContact O-N 3.25Å
166S68.2Low69.5Low91 Ų91115.9 Ų115.964%0.63664%0.641SS**Hα-helixtrans-73.6-17.3176.775.30000114.3L162 V163 C164L162-S166 PolarHBondContact O-N 3.2Å; L162-S166 VanDerWaalsContact O-N 3.08Å; V163-S166 PolarHBondContact O-N 2.67Å; V163-S166 VanDerWaalsContact O-N 3.12Å; V163-S166 PolarHBondContact O-OG 3.42Å; C164-S166 VanDerWaalsContact C-N 3.31Å; C164-S166 PolarHBondContact O-N 3.43Å
167L67.2Low69Low131 Ų131120 Ų12069%0.68666%0.659SS**THydrogen-bonded Turntrans-102.2-3.2-177.9-69.4167.8000113.1V163 C164 L165 P169V163-L167 HydrophobicContact CG1-CD1 3.82Å; V163-L167 WeakPolarHBondContact O-CG 3.33Å; V163-L167 PolarHBondContact O-N 2.97Å; C164-L167 PolarHBondContact O-N 3.4Å; L165-L167 VanDerWaalsContact C-N 3.28Å; L165-L167 PolarHBondContact O-N 3.25Å; L167-P169 WeakPolarHBondContact O-CD 3.42Å
168C65.1Low68.6Low86 Ų86119.9 Ų119.958%0.58167%0.667SS**SBendtrans-76.2120.4171.5-72.50000109.6C164 L170C164-C168 PolarHBondContact O-N 3.41Å; C164-C168 PolarHBondContact O-SG 3.45Å; C168-L170 PolarHBondContact O-N 3.31Å
169P65.6Low68Low120 Ų120116.9 Ų116.978%0.77967%0.67SS**PPolyproline II helixtrans-63129.4171.625.2-30.4000108.9L167L167-P169 WeakPolarHBondContact O-CD 3.42Å
170L60.7Low67.2Low163 Ų163122.2 Ų122.285%0.85369%0.69SS**PPolyproline II helixtrans-55.9127.6172.8-82152.8000108.8C168 L172C168-L170 PolarHBondContact O-N 3.31Å; L170-L172 PolarHBondContact O-N 3.25Å
171P62.2Low66.3Low121 Ų121120.6 Ų120.679%0.78670%0.696SS**PPolyproline II helixtrans-64.3123.3170.425.8-29.7000108.4
172L51.7Low65.6Low245 Ų245122.7 Ų122.7100%1.28371%0.712SS**  trans-65.40171.4-101.4138.8000111.2L170L170-L172 PolarHBondContact O-N 3.25Å

Retrieved 172 of 172 residues in 51.3 ms (Link to these results)

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