A0A3B3U688_9TELE Loading...

Thioredoxin-like protein

Essential role in pre-mRNA splicing. Required in cell cycle progression for S/G(2) transition. Plays role in pre-mRNA splicing.

AlphaFold DB , UniProt , Accession A0A3B3U688, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 149 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
1M34.6Very low78.6Confident213 Ų21392.2 Ų92.2100%1.04947%0.469SS*.  0121.20-74.2176.6175.200107.4F3M1-F3 HydrophobicContact CB-CD2 4.17Å; M1-F3 HydrophobicContact CB-CE2 3.84Å; M1-F3 PolarHBondContact O-N 3.46Å; M1-F3 HydrophobicContact SD-CE2 4.27Å; M1-F3 HydrophobicContact SD-CZ 4.29Å
2S41.4Very low80Confident97 Ų9796.9 Ų96.968%0.67848%0.484SS*.  trans-82100.3171.255.70000107.9F4S2-F4 PolarHBondContact O-N 3.01Å
3F54.8Low81.1Confident142 Ų14293.2 Ų93.262%0.62347%0.467SS*.PPolyproline II helixtrans-75116.2171.4-78.1-88.5000107.8M1 L5 S46M1-F3 HydrophobicContact CB-CD2 4.17Å; M1-F3 HydrophobicContact CB-CE2 3.84Å; M1-F3 PolarHBondContact O-N 3.46Å; M1-F3 HydrophobicContact SD-CE2 4.27Å; M1-F3 HydrophobicContact SD-CZ 4.29Å; F3-L5 PolarHBondContact O-N 3.39Å; F3-S46 PolarHBondContact O-OG 3.36Å
4F81.2Confident82.3Confident194 Ų19486.6 Ų86.685%0.85143%0.433SS*.PPolyproline II helixtrans-61.9130.5169.6-82.4-86.8000108.6S2S2-F4 PolarHBondContact O-N 3.01Å
5L92.6Very high83.3Confident21 Ų2183.9 Ų83.911%0.1142%0.421CS..PPolyproline II helixtrans-68.9137.2175.5-63170.8000109.1F3 K7 L45 A49 I58 I60F3-L5 PolarHBondContact O-N 3.39Å; L5-K7 PolarHBondContact O-N 2.86Å; L5-L45 HydrophobicContact CD1-CB 3.56Å; L5-L45 HydrophobicContact CD1-CD1 4.13Å; L5-A49 HydrophobicContact CD2-CB 4.36Å; L5-I58 HydrophobicContact CD1-CG2 4.39Å; L5-I58 HydrophobicContact CD2-CB 4.27Å; L5-I58 HydrophobicContact CD2-CG2 4.06Å; L5-I60 HydrophobicContact CB-CG1 4.47Å; L5-I60 HydrophobicContact CB-CG2 3.92Å; L5-I60 HydrophobicContact CD1-CG2 3.79Å
6P95.7Very high84.2Confident63 Ų6385.3 Ų85.341%0.40943%0.426SS..PPolyproline II helixtrans-63.4129.5178.625.8-33.7000110.6I58 Y59 I60P6-I58 WeakPolarHBondContact CD-O 3.49Å; P6-I58 VanDerWaalsContact CG-O 3.28Å; P6-I58 WeakPolarHBondContact CG-O 3.34Å; P6-Y59 HydrophobicContact CB-CD1 3.68Å; P6-Y59 HydrophobicContact CB-CE1 3.8Å; P6-Y59 HydrophobicContact CG-CD1 3.4Å; P6-Y59 VanDerWaalsContact CG-CD1 3.4Å; P6-Y59 HydrophobicContact CG-CE1 3.56Å; P6-Y59 HydrophobicContact CG-CG 4.03Å; P6-Y59 WeakPolarHBondContact O-CA 3.45Å; P6-I60 PolarHBondContact O-N 3.42Å
7K95.6Very high85Confident68 Ų6881.2 Ų81.230%0.29641%0.406SS..EExtended strand (participates in β ladder)trans-96.9131.1-178.9-172.4162.4-179.6161.90111.1L5 T9 D33 I60 D62L5-K7 PolarHBondContact O-N 2.86Å; K7-T9 HydrophobicContact CG-CG2 4.08Å; K7-D33 IonicContact NZ-OD1 2.94Å; K7-D33 PolarHBondContact NZ-OD1 3.05Å; K7-D33 IonicContact NZ-OD2 3.21Å; K7-D33 PolarHBondContact NZ-OD2 3.47Å; K7-I60 WeakPolarHBondContact CA-O 3.24Å; K7-I60 HydrophobicContact CB-CD1 4.09Å; K7-I60 HydrophobicContact CB-CG1 3.8Å; K7-I60 HydrophobicContact CD-CD1 4.28Å; K7-I60 HydrophobicContact CG-CD1 4.29Å; K7-I60 HydrophobicContact CG-CG1 4Å; K7-D62 IonicContact NZ-OD2 3.09Å; K7-D62 PolarHBondContact NZ-OD2 3.48Å; K7-D62 VanDerWaalsContact NZ-OD2 3.09Å
8L95.6Very high85.7Confident12 Ų1277.8 Ų77.86%0.06339%0.389CS..EExtended strand (participates in β ladder)trans-105.8132.3173.5-53.5174.4000108.6D13 I14 V17 L28 Y59 I60 V61L8-D13 HydrophobicContact CB-CB 4.32Å; L8-D13 HydrophobicContact CD2-CB 3.88Å; L8-I14 HydrophobicContact CB-CG1 4.01Å; L8-I14 HydrophobicContact CD1-CG1 4.18Å; L8-V17 HydrophobicContact CD1-CB 4.48Å; L8-V17 HydrophobicContact CD1-CG1 4.18Å; L8-V17 HydrophobicContact CD1-CG2 3.52Å; L8-V17 HydrophobicContact CD2-CG1 4.02Å; L8-L28 HydrophobicContact CD1-CD2 3.95Å; L8-Y59 HydrophobicContact CD1-CD1 3.89Å; L8-Y59 HydrophobicContact CD1-CG 3.88Å; L8-Y59 HydrophobicContact CD2-CD1 3.74Å; L8-Y59 HydrophobicContact CD2-CE1 4.22Å; L8-Y59 HydrophobicContact CG-CD1 3.81Å; L8-Y59 HydrophobicContact CG-CG 4.22Å; L8-I60 PolarHBondContact N-O 3.39Å; L8-V61 HydrophobicContact CB-CG2 4.33Å; L8-V61 HydrophobicContact CD1-CG2 4.34Å
9T88.6Confident86.3Confident50 Ų5083.4 Ų83.431%0.30741%0.411SS..  trans-125.9-16.3-172.961.20000113.6K7 K65K7-T9 HydrophobicContact CG-CG2 4.08Å; T9-K65 HydrophobicContact CG2-CD 3.93Å; T9-K65 CarbonylContact O-C 3.54Å; T9-K65 VanDerWaalsContact O-CB 3.25Å; T9-K65 WeakPolarHBondContact O-CB 3.29Å; T9-K65 VanDerWaalsContact O-O 3.14Å
10T91Very high86.9Confident58 Ų5884.4 Ų84.436%0.35642%0.422SS..SBendtrans-120.2155.9178.877.10000111.4K12 D13 I14T10-K12 PolarHBondContact O-N 2.77Å; T10-K12 PolarHBondContact OG1-N 3.05Å; T10-D13 WeakPolarHBondContact CB-OD2 3.49Å; T10-D13 PolarHBondContact N-OD2 3.1Å; T10-D13 PolarHBondContact O-N 2.95Å; T10-D13 PolarHBondContact OG1-N 3.18Å; T10-D13 PolarHBondContact OG1-OD1 3.24Å; T10-D13 PolarHBondContact OG1-OD2 2.91Å; T10-I14 WeakPolarHBondContact O-CG1 3.33Å; T10-I14 PolarHBondContact O-N 3.29Å
11K93.6Very high87.4Confident96 Ų9681.1 Ų81.142%0.41741%0.406SS..Hα-helixtrans-54.5-38.1172.1-175.7-93.4179.3179.70111.7I14 D15 I68 Y69K11-I14 PolarHBondContact O-N 2.84Å; K11-D15 WeakPolarHBondContact CD-OD2 3.34Å; K11-D15 VanDerWaalsContact CE-CG 3.47Å; K11-D15 WeakPolarHBondContact CE-OD1 3.34Å; K11-D15 WeakPolarHBondContact CE-OD2 3.5Å; K11-D15 IonicContact NZ-OD1 2.9Å; K11-D15 IonicContact NZ-OD2 2.57Å; K11-D15 PolarHBondContact NZ-OD2 3.26Å; K11-D15 PolarHBondContact O-N 3.49Å; K11-I68 HydrophobicContact CB-CD1 4.33Å; K11-I68 HydrophobicContact CG-CB 4.48Å; K11-I68 HydrophobicContact CG-CD1 4.02Å; K11-Y69 HydrophobicContact CG-CD2 4.25Å; K11-Y69 HydrophobicContact CG-CE2 3.92Å
12K95.1Very high90.2Very high149 Ų14973.9 Ų73.965%0.64838%0.38SS*.Hα-helixtrans-63.6-44.8179.7-173.9-174.8173.1-169.20111.4T10 I14 D15 E16T10-K12 PolarHBondContact O-N 2.77Å; T10-K12 PolarHBondContact OG1-N 3.05Å; K12-I14 VanDerWaalsContact C-N 3.29Å; K12-I14 PolarHBondContact O-N 2.99Å; K12-D15 PolarHBondContact O-N 3.35Å; K12-E16 WeakPolarHBondContact O-CB 3.35Å; K12-E16 PolarHBondContact O-N 2.93Å
13D95.2Very high92.8Very high49 Ų4975.7 Ų75.726%0.26238%0.378SS..Hα-helixtrans-63.3-40179.5-47.3-35.1000110.9L8 T10 E16 V17L8-D13 HydrophobicContact CB-CB 4.32Å; L8-D13 HydrophobicContact CD2-CB 3.88Å; T10-D13 WeakPolarHBondContact CB-OD2 3.49Å; T10-D13 PolarHBondContact N-OD2 3.1Å; T10-D13 PolarHBondContact O-N 2.95Å; T10-D13 PolarHBondContact OG1-N 3.18Å; T10-D13 PolarHBondContact OG1-OD1 3.24Å; T10-D13 PolarHBondContact OG1-OD2 2.91Å; D13-E16 PolarHBondContact O-N 2.91Å; D13-V17 PolarHBondContact O-N 2.93Å
14I97.1Very high94.9Very high0 Ų072.1 Ų72.10%036%0.362CS..Hα-helixtrans-65.7-46.8177.7-60.5165.9000110.8L8 T10 K11 K12 E16 V17 I18 L28 V61 A66 Y69L8-I14 HydrophobicContact CB-CG1 4.01Å; L8-I14 HydrophobicContact CD1-CG1 4.18Å; T10-I14 WeakPolarHBondContact O-CG1 3.33Å; T10-I14 PolarHBondContact O-N 3.29Å; K11-I14 PolarHBondContact O-N 2.84Å; K12-I14 VanDerWaalsContact C-N 3.29Å; K12-I14 PolarHBondContact O-N 2.99Å; I14-E16 VanDerWaalsContact C-N 3.25Å; I14-E16 PolarHBondContact O-N 3.45Å; I14-V17 WeakPolarHBondContact O-CG2 3.47Å; I14-V17 PolarHBondContact O-N 2.99Å; I14-I18 HydrophobicContact CG2-CD1 3.78Å; I14-I18 HydrophobicContact CG2-CG1 4.47Å; I14-I18 WeakPolarHBondContact O-CB 3.42Å; I14-I18 VanDerWaalsContact O-CG1 3.26Å; I14-I18 WeakPolarHBondContact O-CG1 3.29Å; I14-I18 PolarHBondContact O-N 3.47Å; I14-L28 HydrophobicContact CG2-CD1 4.1Å; I14-V61 HydrophobicContact CD1-CG1 3.68Å; I14-V61 HydrophobicContact CD1-CG2 4.49Å; I14-V61 HydrophobicContact CG1-CG1 4.46Å; I14-V61 HydrophobicContact CG1-CG2 4.5Å; I14-A66 HydrophobicContact CD1-CB 3.51Å; I14-Y69 HydrophobicContact CB-CD2 3.86Å; I14-Y69 HydrophobicContact CB-CE2 3.66Å; I14-Y69 HydrophobicContact CD1-CD2 3.71Å; I14-Y69 HydrophobicContact CD1-CE2 4.4Å; I14-Y69 HydrophobicContact CD1-CG 4.33Å; I14-Y69 HydrophobicContact CG1-CD2 4.41Å; I14-Y69 HydrophobicContact CG2-CD1 4.34Å; I14-Y69 HydrophobicContact CG2-CD2 3.59Å; I14-Y69 HydrophobicContact CG2-CE1 4.19Å; I14-Y69 HydrophobicContact CG2-CE2 3.41Å; I14-Y69 VanDerWaalsContact CG2-CE2 3.41Å; I14-Y69 HydrophobicContact CG2-CG 4.05Å
15D97.1Very high95.7Very high47 Ų4762.9 Ų62.925%0.25132%0.322SS..Hα-helixtrans-57.5-42.5174.9-66.3-13.7000111.8K11 K12 I18 K19 Y69K11-D15 WeakPolarHBondContact CD-OD2 3.34Å; K11-D15 VanDerWaalsContact CE-CG 3.47Å; K11-D15 WeakPolarHBondContact CE-OD1 3.34Å; K11-D15 WeakPolarHBondContact CE-OD2 3.5Å; K11-D15 IonicContact NZ-OD1 2.9Å; K11-D15 IonicContact NZ-OD2 2.57Å; K11-D15 PolarHBondContact NZ-OD2 3.26Å; K11-D15 PolarHBondContact O-N 3.49Å; K12-D15 PolarHBondContact O-N 3.35Å; D15-I18 PolarHBondContact O-N 3.26Å; D15-K19 VanDerWaalsContact O-CB 3.3Å; D15-K19 WeakPolarHBondContact O-CB 3.24Å; D15-K19 PolarHBondContact O-N 2.78Å; D15-Y69 WeakPolarHBondContact OD1-CE2 3Å; D15-Y69 PolarHBondContact OD1-OH 3.4Å
16E97.6Very high96Very high106 Ų10662 Ų6250%0.49532%0.317SS..Hα-helixtrans-65-47.2-176.5-175.7166.6-176.400110.9K12 D13 I14 I18 K19 V20K12-E16 WeakPolarHBondContact O-CB 3.35Å; K12-E16 PolarHBondContact O-N 2.93Å; D13-E16 PolarHBondContact O-N 2.91Å; I14-E16 VanDerWaalsContact C-N 3.25Å; I14-E16 PolarHBondContact O-N 3.45Å; E16-I18 PolarHBondContact O-N 3.01Å; E16-K19 PolarHBondContact O-N 3.02Å; E16-K19 VanDerWaalsContact O-N 3.17Å; E16-V20 HydrophobicContact CG-CG2 4.41Å; E16-V20 WeakPolarHBondContact O-CB 3.25Å; E16-V20 PolarHBondContact O-N 2.84Å
17V98Very high96.1Very high15 Ų1559 Ų599%0.09130%0.298CS..Hα-helixtrans-66-37.6176.6-61.20000112.3L8 D13 I14 K19 V20 V21 L26 L28 Y59L8-V17 HydrophobicContact CD1-CB 4.48Å; L8-V17 HydrophobicContact CD1-CG1 4.18Å; L8-V17 HydrophobicContact CD1-CG2 3.52Å; L8-V17 HydrophobicContact CD2-CG1 4.02Å; D13-V17 PolarHBondContact O-N 2.93Å; I14-V17 WeakPolarHBondContact O-CG2 3.47Å; I14-V17 PolarHBondContact O-N 2.99Å; V17-K19 PolarHBondContact O-N 2.78Å; V17-V20 PolarHBondContact O-N 2.64Å; V17-V21 HydrophobicContact CB-CG2 4.39Å; V17-V21 VanDerWaalsContact O-CB 3.29Å; V17-V21 WeakPolarHBondContact O-CB 3.34Å; V17-V21 VanDerWaalsContact O-CG2 3.28Å; V17-V21 WeakPolarHBondContact O-CG2 3.32Å; V17-V21 PolarHBondContact O-N 2.83Å; V17-L26 HydrophobicContact CB-CD1 4.36Å; V17-L26 HydrophobicContact CB-CD2 4.38Å; V17-L26 HydrophobicContact CG2-CD1 4.25Å; V17-L26 HydrophobicContact CG2-CD2 4.02Å; V17-L28 HydrophobicContact CG2-CD2 4.28Å; V17-Y59 HydrophobicContact CB-CE2 4.45Å; V17-Y59 HydrophobicContact CG1-CD1 4.33Å; V17-Y59 HydrophobicContact CG1-CE1 3.86Å; V17-Y59 HydrophobicContact CG1-CE2 4.28Å
18I97.9Very high96.3Very high20 Ų2055.8 Ų55.810%0.10328%0.284CS..Hα-helixtrans-60.4-36.6175.1-71.1168.5000110.5I14 D15 E16 L26 L28 Y69 F84 G87I14-I18 HydrophobicContact CG2-CD1 3.78Å; I14-I18 HydrophobicContact CG2-CG1 4.47Å; I14-I18 WeakPolarHBondContact O-CB 3.42Å; I14-I18 VanDerWaalsContact O-CG1 3.26Å; I14-I18 WeakPolarHBondContact O-CG1 3.29Å; I14-I18 PolarHBondContact O-N 3.47Å; D15-I18 PolarHBondContact O-N 3.26Å; E16-I18 PolarHBondContact O-N 3.01Å; I18-L26 HydrophobicContact CB-CD2 4.26Å; I18-L26 HydrophobicContact CG1-CD2 3.71Å; I18-L28 HydrophobicContact CD1-CD1 4.38Å; I18-L28 HydrophobicContact CG1-CD1 4.38Å; I18-Y69 HydrophobicContact CD1-CE1 4.04Å; I18-F84 HydrophobicContact CD1-CE1 4.14Å; I18-F84 HydrophobicContact CD1-CE2 3.93Å; I18-F84 HydrophobicContact CD1-CZ 3.65Å; I18-F84 HydrophobicContact CG1-CD1 4.48Å; I18-F84 HydrophobicContact CG1-CD2 4.32Å; I18-F84 HydrophobicContact CG1-CE1 4.35Å; I18-F84 HydrophobicContact CG1-CE2 4.19Å; I18-F84 HydrophobicContact CG1-CG 4.43Å; I18-F84 HydrophobicContact CG1-CZ 4.16Å; I18-F84 HydrophobicContact CG2-CD1 4.05Å; I18-F84 HydrophobicContact CG2-CE1 4.01Å; I18-G87 VanDerWaalsContact O-CA 3.32Å; I18-G87 WeakPolarHBondContact O-CA 3.49Å
19K97.4Very high96.4Very high184 Ų18455.2 Ų55.280%0.828%0.281SS*.Hα-helixtrans-81.9-38.2-177.9-167.4178.9-177.6-177.60113.7D15 E16 V17D15-K19 VanDerWaalsContact O-CB 3.3Å; D15-K19 WeakPolarHBondContact O-CB 3.24Å; D15-K19 PolarHBondContact O-N 2.78Å; E16-K19 PolarHBondContact O-N 3.02Å; E16-K19 VanDerWaalsContact O-N 3.17Å; V17-K19 PolarHBondContact O-N 2.78Å
20V97.2Very high96.9Very high103 Ų10352.8 Ų52.862%0.62427%0.266SS*.Hα-helixtrans-89.4-33-172159.80000112.9E16 V17 A22E16-V20 HydrophobicContact CG-CG2 4.41Å; E16-V20 WeakPolarHBondContact O-CB 3.25Å; E16-V20 PolarHBondContact O-N 2.84Å; V17-V20 PolarHBondContact O-N 2.64Å; V20-A22 PolarHBondContact O-N 3.01Å
21V97.2Very high97.2Very high17 Ų1750 Ų5010%0.10325%0.249CC..  trans-70.8105.1180177.50000109.2V17 K24 L26 Y59V17-V21 HydrophobicContact CB-CG2 4.39Å; V17-V21 VanDerWaalsContact O-CB 3.29Å; V17-V21 WeakPolarHBondContact O-CB 3.34Å; V17-V21 VanDerWaalsContact O-CG2 3.28Å; V17-V21 WeakPolarHBondContact O-CG2 3.32Å; V17-V21 PolarHBondContact O-N 2.83Å; V21-K24 HydrophobicContact CG1-CB 4.14Å; V21-L26 HydrophobicContact CB-CB 4.28Å; V21-L26 HydrophobicContact CG1-CB 4Å; V21-L26 HydrophobicContact CG2-CD1 4.27Å; V21-Y59 HydrophobicContact CG2-CE2 4.44Å
22A94.4Very high97.3Very high60 Ų6050 Ų5050%0.49625%0.246SC..  trans-111.4149.8178.400000111V20 K24 N86V20-A22 PolarHBondContact O-N 3.01Å; A22-K24 PolarHBondContact O-N 2.75Å; A22-N86 WeakPolarHBondContact CA-OD1 3.46Å
23E95.8Very high97.1Very high135 Ų13546.5 Ų46.563%0.63124%0.235SC*.SBendtrans55.821.5175.2-54.2-171137.300114.7N86 Y120E23-N86 PolarHBondContact N-OD1 3.46Å; E23-Y120 WeakPolarHBondContact O-CE2 3.24Å
24K98.4Very high96.9Very high67 Ų6750.7 Ų50.729%0.29126%0.257SS..SBendtrans-141.3153.4175.7-66.4-173.6-175.8-176.40110.3V21 A22 L26 S53 M55 F85V21-K24 HydrophobicContact CG1-CB 4.14Å; A22-K24 PolarHBondContact O-N 2.75Å; K24-L26 PolarHBondContact O-N 3.3Å; K24-S53 WeakPolarHBondContact CE-O 3.35Å; K24-S53 PolarHBondContact NZ-O 2.83Å; K24-M55 CarbonylContact C-O 3.5Å; K24-M55 WeakPolarHBondContact CA-O 3.45Å; K24-F85 VanDerWaalsContact C-CD2 3.43Å; K24-F85 WeakPolarHBondContact O-CD2 3.39Å
25V98.8Very high96.8Very high0 Ų052.6 Ų52.60%027%0.267CS..EExtended strand (participates in β ladder)trans-71.6110.7168.9-175.50000108.5V27 M55 A56 S57 F83 F84 F85 I116 I119 Y120V25-V27 HydrophobicContact CG1-CG2 4.1Å; V25-V27 PolarHBondContact O-N 2.92Å; V25-M55 PolarHBondContact N-O 2.82Å; V25-A56 HydrophobicContact CB-CB 4.23Å; V25-A56 CarbonylContact O-C 3.48Å; V25-A56 WeakPolarHBondContact O-CA 3.32Å; V25-A56 WeakPolarHBondContact O-CB 3.34Å; V25-S57 PolarHBondContact O-N 2.95Å; V25-F83 HydrophobicContact CG1-CB 4.3Å; V25-F83 HydrophobicContact CG1-CD1 4.04Å; V25-F84 CarbonylContact C-O 3.55Å; V25-F84 WeakPolarHBondContact CA-O 3.29Å; V25-F85 HydrophobicContact CG2-CD2 4.17Å; V25-I116 HydrophobicContact CG1-CD1 4.13Å; V25-I119 HydrophobicContact CB-CG2 4.48Å; V25-I119 HydrophobicContact CG1-CG2 3.83Å; V25-I119 HydrophobicContact CG2-CB 4.23Å; V25-I119 HydrophobicContact CG2-CG2 3.75Å; V25-Y120 HydrophobicContact CG2-CD2 4.22Å
26L98.8Very high96.8Very high3 Ų354 Ų542%0.01628%0.28CS..EExtended strand (participates in β ladder)trans-76.3120.3166.9168.964.6000108.5V17 I18 V21 K24 L28 Y59 F83 F84V17-L26 HydrophobicContact CB-CD1 4.36Å; V17-L26 HydrophobicContact CB-CD2 4.38Å; V17-L26 HydrophobicContact CG2-CD1 4.25Å; V17-L26 HydrophobicContact CG2-CD2 4.02Å; I18-L26 HydrophobicContact CB-CD2 4.26Å; I18-L26 HydrophobicContact CG1-CD2 3.71Å; V21-L26 HydrophobicContact CB-CB 4.28Å; V21-L26 HydrophobicContact CG1-CB 4Å; V21-L26 HydrophobicContact CG2-CD1 4.27Å; K24-L26 PolarHBondContact O-N 3.3Å; L26-L28 HydrophobicContact CD1-CD2 3.8Å; L26-L28 HydrophobicContact CD1-CG 4.38Å; L26-L28 HydrophobicContact CD2-CD1 4.47Å; L26-L28 HydrophobicContact CD2-CD2 4.32Å; L26-L28 HydrophobicContact CD2-CG 4.38Å; L26-L28 HydrophobicContact CG-CD2 4.06Å; L26-L28 HydrophobicContact CG-CG 4.12Å; L26-Y59 HydrophobicContact CD1-CD2 3.43Å; L26-Y59 VanDerWaalsContact CD1-CD2 3.43Å; L26-Y59 HydrophobicContact CD1-CE2 3.69Å; L26-F83 CarbonylContact O-C 3.52Å; L26-F83 WeakPolarHBondContact O-CA 3.4Å; L26-F84 HydrophobicContact CB-CB 3.98Å; L26-F84 HydrophobicContact CD2-CB 4.12Å; L26-F84 HydrophobicContact CD2-CD2 4.49Å; L26-F84 HydrophobicContact CG-CB 4.35Å; L26-F84 PolarHBondContact N-O 3.14Å; L26-F84 PolarHBondContact O-N 3.05Å
27V98.8Very high96.7Very high0 Ų051 Ų510%027%0.269CS..EExtended strand (participates in β ladder)trans-107.2119.2178.7-175.50000108.4V25 A56 S57 I58 Y59 T81 F83 F112 I116V25-V27 HydrophobicContact CG1-CG2 4.1Å; V25-V27 PolarHBondContact O-N 2.92Å; V27-A56 HydrophobicContact CG2-CB 4.23Å; V27-S57 PolarHBondContact N-O 3.44Å; V27-I58 HydrophobicContact CB-CB 4.42Å; V27-I58 HydrophobicContact CB-CG1 4.15Å; V27-I58 HydrophobicContact CB-CG2 4.34Å; V27-I58 HydrophobicContact CG1-CG2 4.36Å; V27-I58 HydrophobicContact CG2-CG1 4.24Å; V27-Y59 PolarHBondContact O-N 3.22Å; V27-T81 HydrophobicContact CG1-CG2 3.47Å; V27-T81 VanDerWaalsContact CG1-CG2 3.47Å; V27-F83 HydrophobicContact CG1-CD1 4.33Å; V27-F83 HydrophobicContact CG1-CE1 3.97Å; V27-F83 HydrophobicContact CG2-CD1 4.08Å; V27-F83 HydrophobicContact CG2-CE1 4.2Å; V27-F112 HydrophobicContact CG1-CE2 4.37Å; V27-F112 HydrophobicContact CG1-CZ 4.34Å; V27-F112 HydrophobicContact CG2-CZ 4.46Å; V27-I116 HydrophobicContact CG2-CD1 3.48Å; V27-I116 VanDerWaalsContact CG2-CD1 3.48Å
28L98.7Very high96.6Very high0 Ų050.2 Ų50.20%027%0.265CS..EExtended strand (participates in β ladder)trans-113.8105.9177.7-61.1-177.9000109.8L8 I14 V17 I18 L26 F30 V61 T81 V82 F84L8-L28 HydrophobicContact CD1-CD2 3.95Å; I14-L28 HydrophobicContact CG2-CD1 4.1Å; V17-L28 HydrophobicContact CG2-CD2 4.28Å; I18-L28 HydrophobicContact CD1-CD1 4.38Å; I18-L28 HydrophobicContact CG1-CD1 4.38Å; L26-L28 HydrophobicContact CD1-CD2 3.8Å; L26-L28 HydrophobicContact CD1-CG 4.38Å; L26-L28 HydrophobicContact CD2-CD1 4.47Å; L26-L28 HydrophobicContact CD2-CD2 4.32Å; L26-L28 HydrophobicContact CD2-CG 4.38Å; L26-L28 HydrophobicContact CG-CD2 4.06Å; L26-L28 HydrophobicContact CG-CG 4.12Å; L28-F30 HydrophobicContact CB-CD2 4.35Å; L28-F30 HydrophobicContact CB-CE2 3.76Å; L28-F30 HydrophobicContact CB-CZ 4.5Å; L28-F30 HydrophobicContact CD1-CE2 4.39Å; L28-F30 HydrophobicContact CD1-CZ 4.49Å; L28-V61 HydrophobicContact CB-CG2 4.29Å; L28-V61 HydrophobicContact CD2-CG2 4.26Å; L28-T81 WeakPolarHBondContact O-CA 3.33Å; L28-V82 PolarHBondContact N-O 3.39Å; L28-V82 PolarHBondContact O-N 2.99Å; L28-F84 HydrophobicContact CD1-CD2 4.18Å; L28-F84 HydrophobicContact CD1-CE2 3.99Å
29R98.4Very high96.5Very high0 Ų053.8 Ų53.80%028%0.283CS..EExtended strand (participates in β ladder)trans-88.1106174.2-172.4-80.1-69.5159.9-8.7109.6L41 D42 L45 Y59 I60 V61 P79R29-L41 HydrophobicContact CG-CD2 3.5Å; R29-L41 HydrophobicContact CG-CG 4.23Å; R29-D42 IonicContact CZ-OD1 3.61Å; R29-D42 IonicContact CZ-OD2 2.59Å; R29-D42 IonicContact NE-OD1 3.48Å; R29-D42 PolarHBondContact NE-OD1 2.87Å; R29-D42 IonicContact NE-OD2 2.73Å; R29-D42 IonicContact NH2-OD1 2.84Å; R29-D42 PolarHBondContact NH2-OD1 3.48Å; R29-D42 IonicContact NH2-OD2 3.62Å; R29-D42 PolarHBondContact NH2-OD2 3.33Å; R29-L45 HydrophobicContact CB-CD1 3.9Å; R29-L45 HydrophobicContact CG-CD1 3.97Å; R29-Y59 PolarHBondContact N-O 2.85Å; R29-I60 HydrophobicContact CB-CG2 4.32Å; R29-V61 PolarHBondContact O-N 3.04Å; R29-P79 HydrophobicContact CG-CB 4.3Å
30F98.3Very high96.4Very high0 Ų050.4 Ų50.40%027%0.27CS..EExtended strand (participates in β ladder)trans-82.8123.9172.1-68.9-97.8000110L28 V61 V63 F73 I75 P79 S80 V82L28-F30 HydrophobicContact CB-CD2 4.35Å; L28-F30 HydrophobicContact CB-CE2 3.76Å; L28-F30 HydrophobicContact CB-CZ 4.5Å; L28-F30 HydrophobicContact CD1-CE2 4.39Å; L28-F30 HydrophobicContact CD1-CZ 4.49Å; F30-V61 WeakPolarHBondContact CA-O 3.48Å; F30-V61 HydrophobicContact CD1-CB 3.87Å; F30-V61 HydrophobicContact CD1-CG1 3.67Å; F30-V61 HydrophobicContact CE1-CB 4.01Å; F30-V61 HydrophobicContact CE1-CG1 3.56Å; F30-V61 HydrophobicContact CE1-CG2 4.37Å; F30-V61 HydrophobicContact CG-CB 4.22Å; F30-V61 HydrophobicContact CZ-CB 4.46Å; F30-V61 HydrophobicContact CZ-CG1 4.31Å; F30-V61 HydrophobicContact CZ-CG2 4.36Å; F30-V63 HydrophobicContact CB-CG1 3.81Å; F30-V63 HydrophobicContact CD1-CG1 4.38Å; F30-F73 HydrophobicContact CE2-CD2 4.21Å; F30-F73 HydrophobicContact CE2-CE2 4.46Å; F30-F73 AromaticContact CZ-CD2 3.97Å; F30-F73 HydrophobicContact CZ-CD2 3.97Å; F30-F73 HydrophobicContact CZ-CE2 4.2Å; F30-I75 HydrophobicContact CB-CG1 4.37Å; F30-I75 HydrophobicContact CB-CG2 4.23Å; F30-I75 HydrophobicContact CD1-CG1 4.39Å; F30-I75 HydrophobicContact CG-CD1 4.42Å; F30-I75 HydrophobicContact CG-CG1 4.28Å; F30-P79 VanDerWaalsContact O-CA 3.31Å; F30-P79 WeakPolarHBondContact O-CA 3.44Å; F30-S80 WeakPolarHBondContact CA-O 3.35Å; F30-S80 WeakPolarHBondContact CB-O 3.5Å; F30-S80 PolarHBondContact N-O 3.25Å; F30-S80 PolarHBondContact O-N 3Å; F30-V82 HydrophobicContact CD2-CG2 4.17Å; F30-V82 HydrophobicContact CE2-CB 4.16Å; F30-V82 HydrophobicContact CE2-CG2 3.95Å
31G97.4Very high96.4Very high0 Ų045.5 Ų45.50%024%0.241CC..EExtended strand (participates in β ladder)trans-176.7-160.917500000113.3V61 D62 V63G31-V61 PolarHBondContact N-O 3.19Å; G31-D62 WeakPolarHBondContact O-CA 3.27Å; G31-V63 PolarHBondContact O-N 2.89Å; G31-V63 VanDerWaalsContact O-N 3.17Å
32R95.3Very high96.4Very high94 Ų9445.9 Ų45.936%0.35524%0.242SC..  trans-123.5150.3173.5-61-176.6178.9106.66.1110D34 D35 C38 V63 D64 I78R32-D34 VanDerWaalsContact C-N 3.27Å; R32-D34 WeakPolarHBondContact CB-OD1 3.39Å; R32-D34 PolarHBondContact O-N 2.98Å; R32-D35 HydrophobicContact CB-CB 4.38Å; R32-D35 PolarHBondContact O-N 3.32Å; R32-C38 WeakPolarHBondContact O-CB 3.37Å; R32-V63 HydrophobicContact CG-CG2 3.79Å; R32-D64 IonicContact CZ-OD1 3.66Å; R32-D64 IonicContact CZ-OD2 3.6Å; R32-D64 IonicContact NE-OD1 2.79Å; R32-D64 PolarHBondContact NE-OD1 2.88Å; R32-D64 IonicContact NE-OD2 3.93Å; R32-D64 PolarHBondContact NE-OD2 2.86Å; R32-D64 IonicContact NH2-OD1 3.64Å; R32-D64 PolarHBondContact NH2-OD1 2.86Å; R32-D64 IonicContact NH2-OD2 2.65Å; R32-I78 HydrophobicContact CB-CD1 4.23Å; R32-I78 HydrophobicContact CG-CD1 3.89Å
33D91Very high96.5Very high77 Ų7748.1 Ų48.141%0.41224%0.242SC..THydrogen-bonded Turntrans-74.6-20.8-176.3-57.9-6.5000112.2K7 L39K7-D33 IonicContact NZ-OD1 2.94Å; K7-D33 PolarHBondContact NZ-OD1 3.05Å; K7-D33 IonicContact NZ-OD2 3.21Å; K7-D33 PolarHBondContact NZ-OD2 3.47Å; D33-L39 WeakPolarHBondContact O-CD2 3.44Å
34D91.6Very high96.6Very high136 Ų13642.7 Ų42.773%0.72722%0.218SC*.THydrogen-bonded Turntrans-94.5-2.2179.263.3-18.5000113.5R32R32-D34 VanDerWaalsContact C-N 3.27Å; R32-D34 WeakPolarHBondContact CB-OD1 3.39Å; R32-D34 PolarHBondContact O-N 2.98Å
35D95.4Very high96.6Very high41 Ų4139.5 Ų39.522%0.21920%0.204CC..  trans-81.9127.5175.4176.3-102.4000111.5R32 V37 C38 L39 I78R32-D35 HydrophobicContact CB-CB 4.38Å; R32-D35 PolarHBondContact O-N 3.32Å; D35-V37 VanDerWaalsContact C-N 3.31Å; D35-V37 PolarHBondContact O-N 3.41Å; D35-V37 WeakPolarHBondContact OD1-CB 3.39Å; D35-V37 PolarHBondContact OD1-N 3.04Å; D35-V37 VanDerWaalsContact OD1-N 3.09Å; D35-C38 HydrophobicContact CB-CB 3.96Å; D35-C38 WeakPolarHBondContact O-CB 3.32Å; D35-C38 PolarHBondContact O-N 3.36Å; D35-C38 PolarHBondContact OD1-N 2.93Å; D35-C38 PolarHBondContact OD1-SG 2.83Å; D35-L39 WeakPolarHBondContact O-CG 3.24Å; D35-L39 PolarHBondContact O-N 3.17Å; D35-I78 HydrophobicContact CB-CD1 4.14Å
36S95.4Very high96.5Very high75 Ų7541 Ų4152%0.52421%0.214SC..Hα-helixtrans-62.3-34.3-175.5640000113.9Q40S36-Q40 WeakPolarHBondContact O-CG 3.18Å; S36-Q40 PolarHBondContact O-N 2.82Å; S36-Q40 VanDerWaalsContact O-N 3.17Å
37V95.8Very high96.4Very high43 Ų4346.2 Ų46.226%0.26124%0.237SC..Hα-helixtrans-78.2-35.8-179.9-172.90000110.1D35 L39 Q40 L41 P79D35-V37 VanDerWaalsContact C-N 3.31Å; D35-V37 PolarHBondContact O-N 3.41Å; D35-V37 WeakPolarHBondContact OD1-CB 3.39Å; D35-V37 PolarHBondContact OD1-N 3.04Å; D35-V37 VanDerWaalsContact OD1-N 3.09Å; V37-L39 VanDerWaalsContact C-N 3.35Å; V37-Q40 PolarHBondContact O-N 3.48Å; V37-L41 PolarHBondContact O-N 2.83Å; V37-P79 VanDerWaalsContact CG1-CD 3.47Å; V37-P79 HydrophobicContact CG1-CG 3.97Å
38C96.6Very high96.4Very high0 Ų046.2 Ų46.20%024%0.237CC..Hα-helixtrans-59.6-44.4170.2-65.30000111.4R32 D35 Q40 L41 D42R32-C38 WeakPolarHBondContact O-CB 3.37Å; D35-C38 HydrophobicContact CB-CB 3.96Å; D35-C38 WeakPolarHBondContact O-CB 3.32Å; D35-C38 PolarHBondContact O-N 3.36Å; D35-C38 PolarHBondContact OD1-N 2.93Å; D35-C38 PolarHBondContact OD1-SG 2.83Å; C38-Q40 PolarHBondContact O-N 3.36Å; C38-L41 PolarHBondContact O-N 2.78Å; C38-D42 WeakPolarHBondContact O-CB 3.21Å; C38-D42 PolarHBondContact O-N 3.38Å
39L95.8Very high96.3Very high94 Ų9447.5 Ų47.549%0.49225%0.248SC..Hα-helixtrans-62-41.1176.6-72.7172.2000112.6D33 D35 V37 D42 E43D33-L39 WeakPolarHBondContact O-CD2 3.44Å; D35-L39 WeakPolarHBondContact O-CG 3.24Å; D35-L39 PolarHBondContact O-N 3.17Å; V37-L39 VanDerWaalsContact C-N 3.35Å; L39-D42 PolarHBondContact O-N 2.95Å; L39-E43 PolarHBondContact O-N 3.34Å; L39-E43 VanDerWaalsContact O-N 3.1Å
40Q95.6Very high96.2Very high113 Ų11354.2 Ų54.253%0.52828%0.279SS..Hα-helixtrans-61.8-44.3174.5-72.3172.65.800111.7S36 V37 C38 E43 I44S36-Q40 WeakPolarHBondContact O-CG 3.18Å; S36-Q40 PolarHBondContact O-N 2.82Å; S36-Q40 VanDerWaalsContact O-N 3.17Å; V37-Q40 PolarHBondContact O-N 3.48Å; C38-Q40 PolarHBondContact O-N 3.36Å; Q40-E43 PolarHBondContact O-N 2.94Å; Q40-I44 PolarHBondContact O-N 3.12Å
41L97.4Very high96.1Very high0 Ų059.3 Ų59.30%031%0.306CS..Hα-helixtrans-65-45.3177.2177.557.6000111.2R29 V37 C38 E43 I44 L45 P79 S105 F106R29-L41 HydrophobicContact CG-CD2 3.5Å; R29-L41 HydrophobicContact CG-CG 4.23Å; V37-L41 PolarHBondContact O-N 2.83Å; C38-L41 PolarHBondContact O-N 2.78Å; L41-E43 PolarHBondContact O-N 2.85Å; L41-I44 WeakPolarHBondContact O-CA 3.26Å; L41-I44 WeakPolarHBondContact O-CB 3.33Å; L41-I44 PolarHBondContact O-N 3.26Å; L41-L45 HydrophobicContact CD1-CD1 4.36Å; L41-L45 HydrophobicContact CD1-CD2 4.24Å; L41-L45 HydrophobicContact CD1-CG 4.01Å; L41-L45 HydrophobicContact CG-CD1 3.97Å; L41-L45 HydrophobicContact CG-CG 4.1Å; L41-L45 WeakPolarHBondContact O-CG 3.45Å; L41-L45 PolarHBondContact O-N 3.41Å; L41-P79 HydrophobicContact CB-CG 4.24Å; L41-P79 HydrophobicContact CD2-CB 3.6Å; L41-P79 HydrophobicContact CD2-CG 3.68Å; L41-S105 WeakPolarHBondContact CA-OG 3.41Å; L41-S105 PolarHBondContact N-OG 3.15Å; L41-F106 HydrophobicContact CD1-CD2 3.49Å; L41-F106 VanDerWaalsContact CD1-CD2 3.49Å; L41-F106 HydrophobicContact CD1-CE2 3.83Å
42D97.3Very high96.1Very high25 Ų2559.5 Ų59.513%0.13431%0.307CS..Hα-helixtrans-58.7-35.8179.3-75.6-6.8000112.5R29 C38 L39 L45 S46R29-D42 IonicContact CZ-OD1 3.61Å; R29-D42 IonicContact CZ-OD2 2.59Å; R29-D42 IonicContact NE-OD1 3.48Å; R29-D42 PolarHBondContact NE-OD1 2.87Å; R29-D42 IonicContact NE-OD2 2.73Å; R29-D42 IonicContact NH2-OD1 2.84Å; R29-D42 PolarHBondContact NH2-OD1 3.48Å; R29-D42 IonicContact NH2-OD2 3.62Å; R29-D42 PolarHBondContact NH2-OD2 3.33Å; C38-D42 WeakPolarHBondContact O-CB 3.21Å; C38-D42 PolarHBondContact O-N 3.38Å; L39-D42 PolarHBondContact O-N 2.95Å; D42-L45 PolarHBondContact O-N 3.14Å; D42-S46 VanDerWaalsContact O-CB 3.23Å; D42-S46 WeakPolarHBondContact O-CB 3.3Å; D42-S46 PolarHBondContact O-N 3.44Å
43E96.3Very high96.2Very high107 Ų10757.3 Ų57.350%0.531%0.306SS..Hα-helixtrans-63.2-42.3174.4-172.8179.1-178.100111.7L39 Q40 L41 K47L39-E43 PolarHBondContact O-N 3.34Å; L39-E43 VanDerWaalsContact O-N 3.1Å; Q40-E43 PolarHBondContact O-N 2.94Å; L41-E43 PolarHBondContact O-N 2.85Å; E43-K47 HydrophobicContact CG-CD 4.14Å; E43-K47 WeakPolarHBondContact O-CB 3.34Å; E43-K47 VanDerWaalsContact O-CG 3.24Å; E43-K47 WeakPolarHBondContact O-CG 3.5Å; E43-K47 PolarHBondContact O-N 3.21Å; E43-K47 VanDerWaalsContact OE1-CE 3.27Å; E43-K47 WeakPolarHBondContact OE1-CE 3.36Å; E43-K47 IonicContact OE1-NZ 2.75Å; E43-K47 PolarHBondContact OE1-NZ 2.72Å
44I97.4Very high96.5Very high22 Ų2259.7 Ų59.711%0.11332%0.319CS..Hα-helixtrans-64.1-49.9175-68.3173.8000110.4Q40 L41 S46 K47 T48 F106 K109 F112Q40-I44 PolarHBondContact O-N 3.12Å; L41-I44 WeakPolarHBondContact O-CA 3.26Å; L41-I44 WeakPolarHBondContact O-CB 3.33Å; L41-I44 PolarHBondContact O-N 3.26Å; I44-S46 PolarHBondContact O-N 3.03Å; I44-K47 PolarHBondContact O-N 3.42Å; I44-T48 WeakPolarHBondContact O-CG2 3.28Å; I44-T48 PolarHBondContact O-N 3.15Å; I44-T48 VanDerWaalsContact O-N 3.11Å; I44-T48 PolarHBondContact O-OG1 3.37Å; I44-F106 HydrophobicContact CD1-CB 4.03Å; I44-F106 WeakPolarHBondContact CD1-O 3.34Å; I44-K109 HydrophobicContact CG1-CG 4.47Å; I44-K109 HydrophobicContact CG2-CG 4.29Å; I44-F112 HydrophobicContact CG2-CB 3.97Å; I44-F112 HydrophobicContact CG2-CD1 4.35Å; I44-F112 HydrophobicContact CG2-CG 4.37Å
45L98Very high96.8Very high0 Ų055.3 Ų55.30%029%0.294CS..Hα-helixtrans-58.5-48.6179.9-67.2-177.3000111.4L5 R29 L41 D42 K47 T48 A49 I58 F112L5-L45 HydrophobicContact CD1-CB 3.56Å; L5-L45 HydrophobicContact CD1-CD1 4.13Å; R29-L45 HydrophobicContact CB-CD1 3.9Å; R29-L45 HydrophobicContact CG-CD1 3.97Å; L41-L45 HydrophobicContact CD1-CD1 4.36Å; L41-L45 HydrophobicContact CD1-CD2 4.24Å; L41-L45 HydrophobicContact CD1-CG 4.01Å; L41-L45 HydrophobicContact CG-CD1 3.97Å; L41-L45 HydrophobicContact CG-CG 4.1Å; L41-L45 WeakPolarHBondContact O-CG 3.45Å; L41-L45 PolarHBondContact O-N 3.41Å; D42-L45 PolarHBondContact O-N 3.14Å; L45-K47 PolarHBondContact O-N 2.84Å; L45-T48 PolarHBondContact O-N 2.8Å; L45-T48 PolarHBondContact O-OG1 2.73Å; L45-A49 WeakPolarHBondContact O-CB 3.31Å; L45-A49 PolarHBondContact O-N 2.96Å; L45-I58 HydrophobicContact CB-CG2 4.19Å; L45-I58 HydrophobicContact CD1-CG2 4.02Å; L45-I58 HydrophobicContact CD2-CG2 4.26Å; L45-I58 HydrophobicContact CG-CG2 4.38Å; L45-F112 HydrophobicContact CD2-CD1 4.03Å; L45-F112 HydrophobicContact CD2-CD2 4.11Å; L45-F112 HydrophobicContact CD2-CE1 3.46Å; L45-F112 VanDerWaalsContact CD2-CE1 3.46Å; L45-F112 HydrophobicContact CD2-CE2 3.56Å; L45-F112 HydrophobicContact CD2-CG 4.33Å; L45-F112 HydrophobicContact CD2-CZ 3.2Å
46S97.1Very high97Very high32 Ų3253.6 Ų53.622%0.22429%0.286CS..Hα-helixtrans-63.1-42.5179.1-178.90000112.2F3 D42 I44 T48 A49F3-S46 PolarHBondContact O-OG 3.36Å; D42-S46 VanDerWaalsContact O-CB 3.23Å; D42-S46 WeakPolarHBondContact O-CB 3.3Å; D42-S46 PolarHBondContact O-N 3.44Å; I44-S46 PolarHBondContact O-N 3.03Å; S46-T48 VanDerWaalsContact C-N 3.27Å; S46-T48 PolarHBondContact O-N 3.12Å; S46-A49 PolarHBondContact O-N 2.59Å
47K96.9Very high97.1Very high111 Ų11151.4 Ų51.448%0.48327%0.271SS..Hα-helixtrans-68.8-23.5179.8-75.8177.7-176.5174.40113.9E43 I44 L45 K109E43-K47 HydrophobicContact CG-CD 4.14Å; E43-K47 WeakPolarHBondContact O-CB 3.34Å; E43-K47 VanDerWaalsContact O-CG 3.24Å; E43-K47 WeakPolarHBondContact O-CG 3.5Å; E43-K47 PolarHBondContact O-N 3.21Å; E43-K47 VanDerWaalsContact OE1-CE 3.27Å; E43-K47 WeakPolarHBondContact OE1-CE 3.36Å; E43-K47 IonicContact OE1-NZ 2.75Å; E43-K47 PolarHBondContact OE1-NZ 2.72Å; I44-K47 PolarHBondContact O-N 3.42Å; L45-K47 PolarHBondContact O-N 2.84Å; K47-K109 HydrophobicContact CB-CD 3.79Å; K47-K109 HydrophobicContact CD-CD 4.08Å
48T97.8Very high97.2Very high1 Ų150 Ų501%0.00626%0.262CS..Hα-helixtrans-102.6-12.6-178.756.40000112.9I44 L45 S46 H50 D51 L52 K109 F112 I113I44-T48 WeakPolarHBondContact O-CG2 3.28Å; I44-T48 PolarHBondContact O-N 3.15Å; I44-T48 VanDerWaalsContact O-N 3.11Å; I44-T48 PolarHBondContact O-OG1 3.37Å; L45-T48 PolarHBondContact O-N 2.8Å; L45-T48 PolarHBondContact O-OG1 2.73Å; S46-T48 VanDerWaalsContact C-N 3.27Å; S46-T48 PolarHBondContact O-N 3.12Å; T48-H50 VanDerWaalsContact C-N 3.27Å; T48-H50 PolarHBondContact O-N 3.13Å; T48-D51 PolarHBondContact O-N 2.52Å; T48-D51 VanDerWaalsContact O-N 3.13Å; T48-L52 WeakPolarHBondContact O-CB 3.29Å; T48-L52 WeakPolarHBondContact O-CG 3.46Å; T48-L52 PolarHBondContact O-N 2.59Å; T48-K109 HydrophobicContact CG2-CB 3.76Å; T48-K109 HydrophobicContact CG2-CD 4.24Å; T48-K109 HydrophobicContact CG2-CG 4.07Å; T48-F112 HydrophobicContact CG2-CD1 4.29Å; T48-F112 WeakPolarHBondContact OG1-CD1 3.38Å; T48-F112 VanDerWaalsContact OG1-CE1 3.31Å; T48-F112 WeakPolarHBondContact OG1-CE1 3.08Å; T48-I113 HydrophobicContact CG2-CD1 3.92Å; T48-I113 HydrophobicContact CG2-CG1 3.92Å
49A97.4Very high97.3Very high27 Ų2752.4 Ų52.422%0.22327%0.271CS..THydrogen-bonded Turntrans-56.4-38.4-174.800000113.4L5 L45 S46 S53 I58L5-A49 HydrophobicContact CD2-CB 4.36Å; L45-A49 WeakPolarHBondContact O-CB 3.31Å; L45-A49 PolarHBondContact O-N 2.96Å; S46-A49 PolarHBondContact O-N 2.59Å; A49-S53 WeakPolarHBondContact O-CB 3.29Å; A49-S53 PolarHBondContact O-N 3.27Å; A49-S53 VanDerWaalsContact O-N 3.12Å; A49-I58 HydrophobicContact CB-CD1 4.15Å
50H96Very high97.4Very high141 Ų14148.7 Ų48.765%0.65325%0.251SS*.THydrogen-bonded Turntrans-66.2-49.9177.1176.4-88.8000111.5T48 L52 S53T48-H50 VanDerWaalsContact C-N 3.27Å; T48-H50 PolarHBondContact O-N 3.13Å; H50-L52 VanDerWaalsContact C-N 3.26Å; H50-L52 PolarHBondContact O-N 2.98Å; H50-S53 VanDerWaalsContact O-CB 3.24Å; H50-S53 WeakPolarHBondContact O-CB 3.11Å; H50-S53 PolarHBondContact O-N 3.04Å; H50-S53 VanDerWaalsContact O-N 3.15Å; H50-S53 PolarHBondContact O-OG 2.96Å
51D96.3Very high97.5Very high107 Ų10743.3 Ų43.357%0.57223%0.226SC*.THydrogen-bonded Turntrans-67.2-31.5-176-58.4-18.9000111.6T48T48-D51 PolarHBondContact O-N 2.52Å; T48-D51 VanDerWaalsContact O-N 3.13Å
52L98.1Very high97.4Very high3 Ų344 Ų442%0.01623%0.23CC..THydrogen-bonded Turntrans-89.4-1.6177.5-66.1174.4000114T48 H50 N54 M55 A56 F112 I113 I116T48-L52 WeakPolarHBondContact O-CB 3.29Å; T48-L52 WeakPolarHBondContact O-CG 3.46Å; T48-L52 PolarHBondContact O-N 2.59Å; H50-L52 VanDerWaalsContact C-N 3.26Å; H50-L52 PolarHBondContact O-N 2.98Å; L52-N54 PolarHBondContact O-N 2.79Å; L52-M55 HydrophobicContact CD2-CE 3.73Å; L52-M55 CarbonylContact O-C 3.55Å; L52-M55 PolarHBondContact O-N 3.35Å; L52-A56 HydrophobicContact CB-CB 4.39Å; L52-A56 PolarHBondContact O-N 3.34Å; L52-F112 HydrophobicContact CD1-CD1 3.71Å; L52-F112 HydrophobicContact CD1-CE1 3.36Å; L52-F112 HydrophobicContact CD1-CZ 4.17Å; L52-I113 HydrophobicContact CD1-CG1 4.16Å; L52-I113 HydrophobicContact CD2-CB 4.35Å; L52-I113 HydrophobicContact CD2-CG1 4.16Å; L52-I113 HydrophobicContact CD2-CG2 4.11Å; L52-I113 HydrophobicContact CG-CG1 4.21Å; L52-I116 HydrophobicContact CD1-CB 4.28Å; L52-I116 HydrophobicContact CD1-CG1 4.09Å; L52-I116 HydrophobicContact CD1-CG2 4.37Å; L52-I116 HydrophobicContact CD2-CB 4.16Å; L52-I116 HydrophobicContact CD2-CG2 3.89Å
53S97Very high97.3Very high48 Ų4843.2 Ų43.234%0.33623%0.226SC..THydrogen-bonded Turntrans-58.5-24.9-17060.40000114.9K24 A49 H50K24-S53 WeakPolarHBondContact CE-O 3.35Å; K24-S53 PolarHBondContact NZ-O 2.83Å; A49-S53 WeakPolarHBondContact O-CB 3.29Å; A49-S53 PolarHBondContact O-N 3.27Å; A49-S53 VanDerWaalsContact O-N 3.12Å; H50-S53 VanDerWaalsContact O-CB 3.24Å; H50-S53 WeakPolarHBondContact O-CB 3.11Å; H50-S53 PolarHBondContact O-N 3.04Å; H50-S53 VanDerWaalsContact O-N 3.15Å; H50-S53 PolarHBondContact O-OG 2.96Å
54N97.6Very high97.2Very high127 Ų12742.8 Ų42.868%0.67923%0.227SC*.THydrogen-bonded Turntrans-80.4-23.7174.7-70-36.4000113.5L52L52-N54 PolarHBondContact O-N 2.79Å
55M98.3Very high97Very high44 Ų4447.3 Ų47.322%0.21725%0.246CC..THydrogen-bonded Turntrans-106.6-26.1-176.6-68-172.5-73.600113.3K24 V25 L52 I116 E117 Y120K24-M55 CarbonylContact C-O 3.5Å; K24-M55 WeakPolarHBondContact CA-O 3.45Å; V25-M55 PolarHBondContact N-O 2.82Å; L52-M55 HydrophobicContact CD2-CE 3.73Å; L52-M55 CarbonylContact O-C 3.55Å; L52-M55 PolarHBondContact O-N 3.35Å; M55-I116 HydrophobicContact CB-CG2 4.27Å; M55-E117 HydrophobicContact SD-CB 4.47Å; M55-E117 HydrophobicContact SD-CG 4.48Å; M55-Y120 HydrophobicContact CB-CD1 4.45Å; M55-Y120 HydrophobicContact CB-CD2 4.05Å; M55-Y120 HydrophobicContact CB-CG 4.03Å; M55-Y120 HydrophobicContact CG-CD1 3.91Å; M55-Y120 HydrophobicContact CG-CD2 4.31Å; M55-Y120 HydrophobicContact CG-CE1 4.16Å; M55-Y120 HydrophobicContact CG-CG 4Å; M55-Y120 WeakPolarHBondContact O-CD2 3.33Å; M55-Y120 HydrophobicContact SD-CD1 4.02Å; M55-Y120 HydrophobicContact SD-CG 4.31Å
56A98.6Very high96.8Very high6 Ų647.4 Ų47.45%0.0525%0.247CC..EExtended strand (participates in β ladder)trans-141.3158.2-171.800000113.8V25 V27 L52 I116V25-A56 HydrophobicContact CB-CB 4.23Å; V25-A56 CarbonylContact O-C 3.48Å; V25-A56 WeakPolarHBondContact O-CA 3.32Å; V25-A56 WeakPolarHBondContact O-CB 3.34Å; V27-A56 HydrophobicContact CG2-CB 4.23Å; L52-A56 HydrophobicContact CB-CB 4.39Å; L52-A56 PolarHBondContact O-N 3.34Å; A56-I116 HydrophobicContact CB-CG2 3.76Å
57S98.4Very high96.6Very high28 Ų2848.8 Ų48.820%0.19626%0.255CS..EExtended strand (participates in β ladder)trans-129.8120.9168.8-62.70000108.3V25 V27V25-S57 PolarHBondContact O-N 2.95Å; V27-S57 PolarHBondContact N-O 3.44Å
58I98.6Very high96.5Very high14 Ų1448.6 Ų48.67%0.07226%0.258CS..EExtended strand (participates in β ladder)trans-108.6127.9-167.5-53.3171.6000109.5L5 P6 V27 L45 A49 F112L5-I58 HydrophobicContact CD1-CG2 4.39Å; L5-I58 HydrophobicContact CD2-CB 4.27Å; L5-I58 HydrophobicContact CD2-CG2 4.06Å; P6-I58 WeakPolarHBondContact CD-O 3.49Å; P6-I58 VanDerWaalsContact CG-O 3.28Å; P6-I58 WeakPolarHBondContact CG-O 3.34Å; V27-I58 HydrophobicContact CB-CB 4.42Å; V27-I58 HydrophobicContact CB-CG1 4.15Å; V27-I58 HydrophobicContact CB-CG2 4.34Å; V27-I58 HydrophobicContact CG1-CG2 4.36Å; V27-I58 HydrophobicContact CG2-CG1 4.24Å; L45-I58 HydrophobicContact CB-CG2 4.19Å; L45-I58 HydrophobicContact CD1-CG2 4.02Å; L45-I58 HydrophobicContact CD2-CG2 4.26Å; L45-I58 HydrophobicContact CG-CG2 4.38Å; A49-I58 HydrophobicContact CB-CD1 4.15Å; I58-F112 HydrophobicContact CD1-CE1 3.84Å; I58-F112 HydrophobicContact CD1-CZ 3.97Å
59Y98.3Very high96.4Very high51 Ų5150 Ų5020%0.226%0.264CS..EExtended strand (participates in β ladder)trans-131.1148.9177-63.2-98.7000110.5P6 L8 V17 V21 L26 V27 R29P6-Y59 HydrophobicContact CB-CD1 3.68Å; P6-Y59 HydrophobicContact CB-CE1 3.8Å; P6-Y59 HydrophobicContact CG-CD1 3.4Å; P6-Y59 VanDerWaalsContact CG-CD1 3.4Å; P6-Y59 HydrophobicContact CG-CE1 3.56Å; P6-Y59 HydrophobicContact CG-CG 4.03Å; P6-Y59 WeakPolarHBondContact O-CA 3.45Å; L8-Y59 HydrophobicContact CD1-CD1 3.89Å; L8-Y59 HydrophobicContact CD1-CG 3.88Å; L8-Y59 HydrophobicContact CD2-CD1 3.74Å; L8-Y59 HydrophobicContact CD2-CE1 4.22Å; L8-Y59 HydrophobicContact CG-CD1 3.81Å; L8-Y59 HydrophobicContact CG-CG 4.22Å; V17-Y59 HydrophobicContact CB-CE2 4.45Å; V17-Y59 HydrophobicContact CG1-CD1 4.33Å; V17-Y59 HydrophobicContact CG1-CE1 3.86Å; V17-Y59 HydrophobicContact CG1-CE2 4.28Å; V21-Y59 HydrophobicContact CG2-CE2 4.44Å; L26-Y59 HydrophobicContact CD1-CD2 3.43Å; L26-Y59 VanDerWaalsContact CD1-CD2 3.43Å; L26-Y59 HydrophobicContact CD1-CE2 3.69Å; V27-Y59 PolarHBondContact O-N 3.22Å; R29-Y59 PolarHBondContact N-O 2.85Å
60I97.7Very high96.2Very high15 Ų1549.9 Ų49.98%0.07726%0.26CS..EExtended strand (participates in β ladder)trans-104.4137.6172.561.9175.1000109.6L5 P6 K7 L8 R29L5-I60 HydrophobicContact CB-CG1 4.47Å; L5-I60 HydrophobicContact CB-CG2 3.92Å; L5-I60 HydrophobicContact CD1-CG2 3.79Å; P6-I60 PolarHBondContact O-N 3.42Å; K7-I60 WeakPolarHBondContact CA-O 3.24Å; K7-I60 HydrophobicContact CB-CD1 4.09Å; K7-I60 HydrophobicContact CB-CG1 3.8Å; K7-I60 HydrophobicContact CD-CD1 4.28Å; K7-I60 HydrophobicContact CG-CD1 4.29Å; K7-I60 HydrophobicContact CG-CG1 4Å; L8-I60 PolarHBondContact N-O 3.39Å; R29-I60 HydrophobicContact CB-CG2 4.32Å
61V97.8Very high96.2Very high0 Ų053 Ų530%027%0.266CS..EExtended strand (participates in β ladder)trans-122127.2-177.5-175.20000108.8L8 I14 L28 R29 F30 G31 V63 A66L8-V61 HydrophobicContact CB-CG2 4.33Å; L8-V61 HydrophobicContact CD1-CG2 4.34Å; I14-V61 HydrophobicContact CD1-CG1 3.68Å; I14-V61 HydrophobicContact CD1-CG2 4.49Å; I14-V61 HydrophobicContact CG1-CG1 4.46Å; I14-V61 HydrophobicContact CG1-CG2 4.5Å; L28-V61 HydrophobicContact CB-CG2 4.29Å; L28-V61 HydrophobicContact CD2-CG2 4.26Å; R29-V61 PolarHBondContact O-N 3.04Å; F30-V61 WeakPolarHBondContact CA-O 3.48Å; F30-V61 HydrophobicContact CD1-CB 3.87Å; F30-V61 HydrophobicContact CD1-CG1 3.67Å; F30-V61 HydrophobicContact CE1-CB 4.01Å; F30-V61 HydrophobicContact CE1-CG1 3.56Å; F30-V61 HydrophobicContact CE1-CG2 4.37Å; F30-V61 HydrophobicContact CG-CB 4.22Å; F30-V61 HydrophobicContact CZ-CB 4.46Å; F30-V61 HydrophobicContact CZ-CG1 4.31Å; F30-V61 HydrophobicContact CZ-CG2 4.36Å; G31-V61 PolarHBondContact N-O 3.19Å; V61-V63 PolarHBondContact O-N 2.92Å; V61-A66 HydrophobicContact CG1-CB 3.68Å
62D94.6Very high96.1Very high15 Ų1556 Ų568%0.0827%0.271CS..EExtended strand (participates in β ladder)trans-80.2115.3174.5-166.9-42.4000110K7 G31 D64 K65 A66K7-D62 IonicContact NZ-OD2 3.09Å; K7-D62 PolarHBondContact NZ-OD2 3.48Å; K7-D62 VanDerWaalsContact NZ-OD2 3.09Å; G31-D62 WeakPolarHBondContact O-CA 3.27Å; D62-D64 PolarHBondContact O-N 3.19Å; D62-D64 PolarHBondContact OD1-N 3.24Å; D62-D64 VanDerWaalsContact OD1-N 3.13Å; D62-K65 HydrophobicContact CB-CB 4.08Å; D62-K65 HydrophobicContact CB-CD 4.07Å; D62-K65 HydrophobicContact CB-CG 4.02Å; D62-K65 PolarHBondContact O-N 3.08Å; D62-K65 VanDerWaalsContact O-N 3.16Å; D62-K65 WeakPolarHBondContact OD2-CE 3.44Å; D62-K65 IonicContact OD2-NZ 3.94Å; D62-A66 PolarHBondContact O-N 3.09Å; D62-A66 VanDerWaalsContact O-N 3.07Å
63V95.3Very high96Very high8 Ų856.4 Ų56.45%0.04827%0.272CS..THydrogen-bonded Turntrans-62-29.3-175.4-72.20000113.4F30 G31 R32 V61 T70 I75 I78F30-V63 HydrophobicContact CB-CG1 3.81Å; F30-V63 HydrophobicContact CD1-CG1 4.38Å; G31-V63 PolarHBondContact O-N 2.89Å; G31-V63 VanDerWaalsContact O-N 3.17Å; R32-V63 HydrophobicContact CG-CG2 3.79Å; V61-V63 PolarHBondContact O-N 2.92Å; V63-T70 HydrophobicContact CB-CG2 4.1Å; V63-T70 HydrophobicContact CG1-CG2 4.32Å; V63-T70 PolarHBondContact O-OG1 2.83Å; V63-I75 HydrophobicContact CG1-CG2 4.1Å; V63-I78 HydrophobicContact CG1-CG2 3.89Å; V63-I78 HydrophobicContact CG2-CG2 4.36Å
64D93.4Very high95.9Very high99 Ų9959.1 Ų59.153%0.52928%0.283SS..THydrogen-bonded Turntrans-81-24.5-177.9-59-41.6000111.2R32 D62R32-D64 IonicContact CZ-OD1 3.66Å; R32-D64 IonicContact CZ-OD2 3.6Å; R32-D64 IonicContact NE-OD1 2.79Å; R32-D64 PolarHBondContact NE-OD1 2.88Å; R32-D64 IonicContact NE-OD2 3.93Å; R32-D64 PolarHBondContact NE-OD2 2.86Å; R32-D64 IonicContact NH2-OD1 3.64Å; R32-D64 PolarHBondContact NH2-OD1 2.86Å; R32-D64 IonicContact NH2-OD2 2.65Å; D62-D64 PolarHBondContact O-N 3.19Å; D62-D64 PolarHBondContact OD1-N 3.24Å; D62-D64 VanDerWaalsContact OD1-N 3.13Å
65K93.4Very high95.8Very high116 Ų11654 Ų5450%0.50426%0.255SS..THydrogen-bonded Turntrans-93-18.6179.1-55.2-176-177179.50113.6T9 D62 P67T9-K65 HydrophobicContact CG2-CD 3.93Å; T9-K65 CarbonylContact O-C 3.54Å; T9-K65 VanDerWaalsContact O-CB 3.25Å; T9-K65 WeakPolarHBondContact O-CB 3.29Å; T9-K65 VanDerWaalsContact O-O 3.14Å; D62-K65 HydrophobicContact CB-CB 4.08Å; D62-K65 HydrophobicContact CB-CD 4.07Å; D62-K65 HydrophobicContact CB-CG 4.02Å; D62-K65 PolarHBondContact O-N 3.08Å; D62-K65 VanDerWaalsContact O-N 3.16Å; D62-K65 WeakPolarHBondContact OD2-CE 3.44Å; D62-K65 IonicContact OD2-NZ 3.94Å; K65-P67 WeakPolarHBondContact O-CD 3.37Å
66A93.4Very high95.5Very high2 Ų255.7 Ų55.72%0.01727%0.272CS..  trans-114.950.3-179.800000114.1I14 V61 D62 I68 Y69 T70I14-A66 HydrophobicContact CD1-CB 3.51Å; V61-A66 HydrophobicContact CG1-CB 3.68Å; D62-A66 PolarHBondContact O-N 3.09Å; D62-A66 VanDerWaalsContact O-N 3.07Å; A66-I68 PolarHBondContact O-N 3.25Å; A66-Y69 PolarHBondContact O-N 3.15Å; A66-T70 PolarHBondContact O-N 3.41Å; A66-T70 PolarHBondContact O-OG1 3.36Å
67P93.8Very high95.2Very high62 Ų6260.1 Ų60.140%0.40329%0.288SS..Hα-helixtrans-60.9-26.9-168.526-36.3000114.2K65 R71K65-P67 WeakPolarHBondContact O-CD 3.37Å; P67-R71 WeakPolarHBondContact O-CB 3.21Å; P67-R71 WeakPolarHBondContact O-CG 3.29Å; P67-R71 PolarHBondContact O-N 3.2Å
68I94.9Very high95.1Very high106 Ų10660.8 Ų60.854%0.54429%0.289SS..Hα-helixtrans-63.9-49.1177-65.3170.7000110.4K11 A66 Y72K11-I68 HydrophobicContact CB-CD1 4.33Å; K11-I68 HydrophobicContact CG-CB 4.48Å; K11-I68 HydrophobicContact CG-CD1 4.02Å; A66-I68 PolarHBondContact O-N 3.25Å; I68-Y72 VanDerWaalsContact O-CB 3.3Å; I68-Y72 WeakPolarHBondContact O-CB 3.21Å; I68-Y72 PolarHBondContact O-N 3.48Å
69Y94.9Very high95.1Very high31 Ų3160.1 Ų60.112%0.12229%0.285CS..Hα-helixtrans-75.4-36179.7-82.7-71.1000112.1K11 I14 D15 I18 A66 R71 Y72 F73K11-Y69 HydrophobicContact CG-CD2 4.25Å; K11-Y69 HydrophobicContact CG-CE2 3.92Å; I14-Y69 HydrophobicContact CB-CD2 3.86Å; I14-Y69 HydrophobicContact CB-CE2 3.66Å; I14-Y69 HydrophobicContact CD1-CD2 3.71Å; I14-Y69 HydrophobicContact CD1-CE2 4.4Å; I14-Y69 HydrophobicContact CD1-CG 4.33Å; I14-Y69 HydrophobicContact CG1-CD2 4.41Å; I14-Y69 HydrophobicContact CG2-CD1 4.34Å; I14-Y69 HydrophobicContact CG2-CD2 3.59Å; I14-Y69 HydrophobicContact CG2-CE1 4.19Å; I14-Y69 HydrophobicContact CG2-CE2 3.41Å; I14-Y69 VanDerWaalsContact CG2-CE2 3.41Å; I14-Y69 HydrophobicContact CG2-CG 4.05Å; D15-Y69 WeakPolarHBondContact OD1-CE2 3Å; D15-Y69 PolarHBondContact OD1-OH 3.4Å; I18-Y69 HydrophobicContact CD1-CE1 4.04Å; A66-Y69 PolarHBondContact O-N 3.15Å; Y69-R71 VanDerWaalsContact C-N 3.29Å; Y69-R71 PolarHBondContact O-N 3.42Å; Y69-Y72 PolarHBondContact O-N 3.12Å; Y69-F73 HydrophobicContact CD1-CD2 4.22Å; Y69-F73 AromaticContact CD1-CE2 3.64Å; Y69-F73 HydrophobicContact CD1-CE2 3.64Å; Y69-F73 HydrophobicContact CD1-CZ 4.49Å; Y69-F73 HydrophobicContact CE1-CE2 4.3Å; Y69-F73 WeakPolarHBondContact O-CD2 3.16Å; Y69-F73 PolarHBondContact O-N 3.39Å
70T94.5Very high95Very high25 Ų2557.7 Ų57.715%0.15328%0.276CS..Hα-helixtrans-55.7-44.8171.8-530000111V63 A66 D74 I75V63-T70 HydrophobicContact CB-CG2 4.1Å; V63-T70 HydrophobicContact CG1-CG2 4.32Å; V63-T70 PolarHBondContact O-OG1 2.83Å; A66-T70 PolarHBondContact O-N 3.41Å; A66-T70 PolarHBondContact O-OG1 3.36Å; T70-D74 PolarHBondContact O-N 2.73Å; T70-I75 HydrophobicContact CG2-CB 3.89Å; T70-I75 HydrophobicContact CG2-CG1 4.43Å; T70-I75 PolarHBondContact O-N 3.34Å
71R95.1Very high95.1Very high207 Ų20757 Ų5778%0.78127%0.272SS*.Hα-helixtrans-71.6-42.5175.5-71.3173.6-172177.72.8112.6P67 Y69 F73 D74P67-R71 WeakPolarHBondContact O-CB 3.21Å; P67-R71 WeakPolarHBondContact O-CG 3.29Å; P67-R71 PolarHBondContact O-N 3.2Å; Y69-R71 VanDerWaalsContact C-N 3.29Å; Y69-R71 PolarHBondContact O-N 3.42Å; R71-F73 VanDerWaalsContact C-N 3.31Å; R71-F73 PolarHBondContact O-N 3.11Å; R71-D74 PolarHBondContact O-N 3.35Å; R71-D74 VanDerWaalsContact O-N 3.12Å
72Y95.1Very high95.1Very high170 Ų17057 Ų5767%0.66727%0.272SS*.Hα-helixtrans-59.8-40.9-178179-96000112.6I68 Y69 D74I68-Y72 VanDerWaalsContact O-CB 3.3Å; I68-Y72 WeakPolarHBondContact O-CB 3.21Å; I68-Y72 PolarHBondContact O-N 3.48Å; Y69-Y72 PolarHBondContact O-N 3.12Å; Y72-D74 VanDerWaalsContact C-N 3.32Å
73F95.3Very high95.3Very high10 Ų1056.3 Ų56.34%0.04427%0.269CS..THydrogen-bonded Turntrans-89.43.1177.8-69.4-60.4000114.4F30 Y69 R71 I75 V82 F84 H89 K101F30-F73 HydrophobicContact CE2-CD2 4.21Å; F30-F73 HydrophobicContact CE2-CE2 4.46Å; F30-F73 AromaticContact CZ-CD2 3.97Å; F30-F73 HydrophobicContact CZ-CD2 3.97Å; F30-F73 HydrophobicContact CZ-CE2 4.2Å; Y69-F73 HydrophobicContact CD1-CD2 4.22Å; Y69-F73 AromaticContact CD1-CE2 3.64Å; Y69-F73 HydrophobicContact CD1-CE2 3.64Å; Y69-F73 HydrophobicContact CD1-CZ 4.49Å; Y69-F73 HydrophobicContact CE1-CE2 4.3Å; Y69-F73 WeakPolarHBondContact O-CD2 3.16Å; Y69-F73 PolarHBondContact O-N 3.39Å; R71-F73 VanDerWaalsContact C-N 3.31Å; R71-F73 PolarHBondContact O-N 3.11Å; F73-I75 HydrophobicContact CB-CD1 3.49Å; F73-I75 VanDerWaalsContact CB-CD1 3.49Å; F73-I75 HydrophobicContact CB-CG1 3.9Å; F73-I75 PolarHBondContact O-N 3.22Å; F73-V82 HydrophobicContact CB-CG2 4.46Å; F73-V82 HydrophobicContact CD1-CG1 4.28Å; F73-V82 HydrophobicContact CD1-CG2 4.16Å; F73-V82 HydrophobicContact CD2-CG2 4.17Å; F73-V82 HydrophobicContact CE1-CG1 3.81Å; F73-V82 HydrophobicContact CE1-CG2 4.48Å; F73-V82 HydrophobicContact CE2-CG1 4.21Å; F73-V82 HydrophobicContact CE2-CG2 4.47Å; F73-V82 HydrophobicContact CG-CG2 4.01Å; F73-V82 HydrophobicContact CZ-CG1 3.78Å; F73-F84 HydrophobicContact CE2-CE2 4.39Å; F73-F84 HydrophobicContact CE2-CZ 4.44Å; F73-F84 AromaticContact CZ-CE2 3.85Å; F73-F84 HydrophobicContact CZ-CE2 3.85Å; F73-F84 AromaticContact CZ-CZ 3.66Å; F73-F84 HydrophobicContact CZ-CZ 3.66Å; F73-H89 AromaticContact CE1-CE1 3.62Å; F73-H89 AromaticContact CE1-ND1 3.86Å; F73-K101 PolarHBondContact O-NZ 2.9Å
74D95.1Very high95.5Very high106 Ų10656.7 Ų56.757%0.56727%0.269SS*.THydrogen-bonded Turntrans48.856.5-175.3-168.228.8000111.6T70 R71 Y72 S76 K101T70-D74 PolarHBondContact O-N 2.73Å; R71-D74 PolarHBondContact O-N 3.35Å; R71-D74 VanDerWaalsContact O-N 3.12Å; Y72-D74 VanDerWaalsContact C-N 3.32Å; D74-S76 PolarHBondContact O-N 2.99Å; D74-S76 PolarHBondContact O-OG 3.44Å; D74-K101 VanDerWaalsContact O-CE 3.27Å; D74-K101 WeakPolarHBondContact O-CE 3.21Å; D74-K101 PolarHBondContact O-NZ 3.44Å
75I94.7Very high95.7Very high18 Ų1852.5 Ų52.59%0.09225%0.247CC..  trans-77.787-179.8-51-58.5000108.9F30 V63 T70 F73 I78 K101F30-I75 HydrophobicContact CB-CG1 4.37Å; F30-I75 HydrophobicContact CB-CG2 4.23Å; F30-I75 HydrophobicContact CD1-CG1 4.39Å; F30-I75 HydrophobicContact CG-CD1 4.42Å; F30-I75 HydrophobicContact CG-CG1 4.28Å; V63-I75 HydrophobicContact CG1-CG2 4.1Å; T70-I75 HydrophobicContact CG2-CB 3.89Å; T70-I75 HydrophobicContact CG2-CG1 4.43Å; T70-I75 PolarHBondContact O-N 3.34Å; F73-I75 HydrophobicContact CB-CD1 3.49Å; F73-I75 VanDerWaalsContact CB-CD1 3.49Å; F73-I75 HydrophobicContact CB-CG1 3.9Å; F73-I75 PolarHBondContact O-N 3.22Å; I75-I78 HydrophobicContact CG2-CG2 4.03Å; I75-K101 HydrophobicContact CD1-CD 3.74Å
76S92.4Very high95.9Very high80 Ų8051 Ų5156%0.55924%0.244SC*.  trans-90.3-24.4176.1-27.10000113D74D74-S76 PolarHBondContact O-N 2.99Å; D74-S76 PolarHBondContact O-OG 3.44Å
77Y93.3Very high96.1Very high100 Ų10052.6 Ų52.639%0.39226%0.261SS..SBendtrans-124.6138.3180-62.9-82.3000110.5S80 V103 L144Y77-S80 PolarHBondContact O-OG 2.92Å; Y77-V103 HydrophobicContact CG-CG1 4.47Å; Y77-L144 HydrophobicContact CE2-CD2 4.17Å
78I95.9Very high96.3Very high41 Ų4154.6 Ų54.621%0.2127%0.265CS..SBendtrans-117.4146.7176.859.4172.2000110.5R32 D35 V63 I75R32-I78 HydrophobicContact CB-CD1 4.23Å; R32-I78 HydrophobicContact CG-CD1 3.89Å; D35-I78 HydrophobicContact CB-CD1 4.14Å; V63-I78 HydrophobicContact CG1-CG2 3.89Å; V63-I78 HydrophobicContact CG2-CG2 4.36Å; I75-I78 HydrophobicContact CG2-CG2 4.03Å
79P97.6Very high96.5Very high0 Ų051.4 Ų51.40%025%0.247CC..SBendcis-69.9151-8.528.7-33000112.2R29 F30 V37 L41 G104R29-P79 HydrophobicContact CG-CB 4.3Å; F30-P79 VanDerWaalsContact O-CA 3.31Å; F30-P79 WeakPolarHBondContact O-CA 3.44Å; V37-P79 VanDerWaalsContact CG1-CD 3.47Å; V37-P79 HydrophobicContact CG1-CG 3.97Å; L41-P79 HydrophobicContact CB-CG 4.24Å; L41-P79 HydrophobicContact CD2-CB 3.6Å; L41-P79 HydrophobicContact CD2-CG 3.68Å; P79-G104 PolarHBondContact O-N 2.93Å
80S97.8Very high96.6Very high0 Ų050 Ų500%024%0.242CC..EExtended strand (participates in β ladder)trans-128.2130.2168.2-81.30000109.2F30 Y77 F102F30-S80 WeakPolarHBondContact CA-O 3.35Å; F30-S80 WeakPolarHBondContact CB-O 3.5Å; F30-S80 PolarHBondContact N-O 3.25Å; F30-S80 PolarHBondContact O-N 3Å; Y77-S80 PolarHBondContact O-OG 2.92Å; S80-F102 CarbonylContact C-O 3.54Å; S80-F102 WeakPolarHBondContact CA-O 3.5Å
81T98.5Very high96.8Very high0 Ų053.2 Ų53.20%025%0.254CS..EExtended strand (participates in β ladder)trans-112.7125.8-175.7-53.20000110.4V27 L28 F83 K101 F102V27-T81 HydrophobicContact CG1-CG2 3.47Å; V27-T81 VanDerWaalsContact CG1-CG2 3.47Å; L28-T81 WeakPolarHBondContact O-CA 3.33Å; T81-F83 HydrophobicContact CG2-CE1 3.8Å; T81-F83 HydrophobicContact CG2-CE2 4.35Å; T81-F83 HydrophobicContact CG2-CZ 3.68Å; T81-K101 CarbonylContact O-C 3.59Å; T81-K101 WeakPolarHBondContact O-CA 3.34Å; T81-F102 PolarHBondContact N-O 3.48Å; T81-F102 PolarHBondContact O-N 3.01Å
82V98.6Very high97Very high0 Ų043.4 Ų43.40%022%0.217CC..EExtended strand (participates in β ladder)trans-113.1144.5178.6179.30000109.5L28 F30 F73 F84 K101L28-V82 PolarHBondContact N-O 3.39Å; L28-V82 PolarHBondContact O-N 2.99Å; F30-V82 HydrophobicContact CD2-CG2 4.17Å; F30-V82 HydrophobicContact CE2-CB 4.16Å; F30-V82 HydrophobicContact CE2-CG2 3.95Å; F73-V82 HydrophobicContact CB-CG2 4.46Å; F73-V82 HydrophobicContact CD1-CG1 4.28Å; F73-V82 HydrophobicContact CD1-CG2 4.16Å; F73-V82 HydrophobicContact CD2-CG2 4.17Å; F73-V82 HydrophobicContact CE1-CG1 3.81Å; F73-V82 HydrophobicContact CE1-CG2 4.48Å; F73-V82 HydrophobicContact CE2-CG1 4.21Å; F73-V82 HydrophobicContact CE2-CG2 4.47Å; F73-V82 HydrophobicContact CG-CG2 4.01Å; F73-V82 HydrophobicContact CZ-CG1 3.78Å; V82-F84 HydrophobicContact CG1-CD2 4.08Å; V82-F84 HydrophobicContact CG1-CE2 3.67Å; V82-K101 HydrophobicContact CG2-CB 4.03Å
83F98.8Very high97Very high2 Ų238 Ų381%0.00920%0.2CC..EExtended strand (participates in β ladder)trans-118138.4-175.6-54.3-79.1000111.6V25 L26 V27 T81 H89 M90 V92 Y94 F102 L115 I116 I119V25-F83 HydrophobicContact CG1-CB 4.3Å; V25-F83 HydrophobicContact CG1-CD1 4.04Å; L26-F83 CarbonylContact O-C 3.52Å; L26-F83 WeakPolarHBondContact O-CA 3.4Å; V27-F83 HydrophobicContact CG1-CD1 4.33Å; V27-F83 HydrophobicContact CG1-CE1 3.97Å; V27-F83 HydrophobicContact CG2-CD1 4.08Å; V27-F83 HydrophobicContact CG2-CE1 4.2Å; T81-F83 HydrophobicContact CG2-CE1 3.8Å; T81-F83 HydrophobicContact CG2-CE2 4.35Å; T81-F83 HydrophobicContact CG2-CZ 3.68Å; F83-H89 PolarHBondContact O-CD2 2.85Å; F83-M90 HydrophobicContact CB-CB 3.96Å; F83-M90 PolarHBondContact O-N 2.77Å; F83-V92 HydrophobicContact CD2-CG2 4.25Å; F83-Y94 WeakPolarHBondContact CE2-OH 3.4Å; F83-F102 HydrophobicContact CE2-CB 4.13Å; F83-F102 HydrophobicContact CZ-CB 4.47Å; F83-L115 HydrophobicContact CE2-CD2 4.4Å; F83-L115 HydrophobicContact CZ-CD2 3.92Å; F83-I116 HydrophobicContact CD1-CD1 4.16Å; F83-I116 HydrophobicContact CE1-CD1 3.84Å; F83-I119 HydrophobicContact CB-CD1 4.27Å; F83-I119 HydrophobicContact CD1-CD1 3.71Å; F83-I119 HydrophobicContact CD2-CD1 3.88Å; F83-I119 HydrophobicContact CE1-CD1 3.95Å; F83-I119 HydrophobicContact CE2-CD1 4.12Å; F83-I119 HydrophobicContact CG-CD1 3.67Å; F83-I119 HydrophobicContact CZ-CD1 4.15Å
84F98.8Very high96.9Very high15 Ų1538.5 Ų38.57%0.06620%0.201CC..EExtended strand (participates in β ladder)trans-130.8155.1173.2-75.3-98.5000110.9I18 V25 L26 L28 F73 V82 Q88 H89I18-F84 HydrophobicContact CD1-CE1 4.14Å; I18-F84 HydrophobicContact CD1-CE2 3.93Å; I18-F84 HydrophobicContact CD1-CZ 3.65Å; I18-F84 HydrophobicContact CG1-CD1 4.48Å; I18-F84 HydrophobicContact CG1-CD2 4.32Å; I18-F84 HydrophobicContact CG1-CE1 4.35Å; I18-F84 HydrophobicContact CG1-CE2 4.19Å; I18-F84 HydrophobicContact CG1-CG 4.43Å; I18-F84 HydrophobicContact CG1-CZ 4.16Å; I18-F84 HydrophobicContact CG2-CD1 4.05Å; I18-F84 HydrophobicContact CG2-CE1 4.01Å; V25-F84 CarbonylContact C-O 3.55Å; V25-F84 WeakPolarHBondContact CA-O 3.29Å; L26-F84 HydrophobicContact CB-CB 3.98Å; L26-F84 HydrophobicContact CD2-CB 4.12Å; L26-F84 HydrophobicContact CD2-CD2 4.49Å; L26-F84 HydrophobicContact CG-CB 4.35Å; L26-F84 PolarHBondContact N-O 3.14Å; L26-F84 PolarHBondContact O-N 3.05Å; L28-F84 HydrophobicContact CD1-CD2 4.18Å; L28-F84 HydrophobicContact CD1-CE2 3.99Å; F73-F84 HydrophobicContact CE2-CE2 4.39Å; F73-F84 HydrophobicContact CE2-CZ 4.44Å; F73-F84 AromaticContact CZ-CE2 3.85Å; F73-F84 HydrophobicContact CZ-CE2 3.85Å; F73-F84 AromaticContact CZ-CZ 3.66Å; F73-F84 HydrophobicContact CZ-CZ 3.66Å; V82-F84 HydrophobicContact CG1-CD2 4.08Å; V82-F84 HydrophobicContact CG1-CE2 3.67Å; F84-Q88 CarbonylContact C-O 3.56Å; F84-Q88 WeakPolarHBondContact CA-O 3.41Å; F84-H89 HydrophobicContact CD1-CB 4.22Å; F84-H89 HydrophobicContact CE1-CB 3.96Å; F84-H89 HydrophobicContact CZ-CB 4.46Å
85F98.6Very high96.6Very high12 Ų1237 Ų375%0.05321%0.21CC..EExtended strand (participates in β ladder)trans-143.7123.1169.7-168.5-89000108.8K24 V25 G87 Q88 M90 Y120 A123 M124K24-F85 VanDerWaalsContact C-CD2 3.43Å; K24-F85 WeakPolarHBondContact O-CD2 3.39Å; V25-F85 HydrophobicContact CG2-CD2 4.17Å; F85-G87 VanDerWaalsContact C-N 3.26Å; F85-G87 PolarHBondContact O-N 3.25Å; F85-Q88 PolarHBondContact N-O 2.76Å; F85-Q88 WeakPolarHBondContact O-CB 3.35Å; F85-Q88 PolarHBondContact O-N 2.79Å; F85-M90 HydrophobicContact CB-CG 3.79Å; F85-M90 HydrophobicContact CB-SD 4.12Å; F85-Y120 AromaticContact CE2-CD2 3.87Å; F85-Y120 HydrophobicContact CE2-CD2 3.87Å; F85-Y120 AromaticContact CE2-CE2 3.99Å; F85-Y120 HydrophobicContact CE2-CE2 3.99Å; F85-A123 HydrophobicContact CB-CB 3.7Å; F85-A123 HydrophobicContact CD1-CB 3.57Å; F85-A123 HydrophobicContact CD2-CB 3.67Å; F85-A123 HydrophobicContact CE1-CB 4.07Å; F85-A123 HydrophobicContact CE2-CB 4.17Å; F85-A123 HydrophobicContact CG-CB 3.35Å; F85-A123 HydrophobicContact CZ-CB 4.36Å; F85-M124 HydrophobicContact CE1-SD 4.3Å; F85-M124 HydrophobicContact CE2-SD 4.44Å; F85-M124 HydrophobicContact CZ-CG 4.16Å; F85-M124 HydrophobicContact CZ-SD 3.57Å; F85-M124 VanDerWaalsContact CZ-SD 3.57Å
86N97.8Very high96.3Very high85 Ų8538.3 Ų38.346%0.45522%0.221SC..THydrogen-bonded Turntrans5044.4-175.9-66.1-16000113.3A22 E23 Q88A22-N86 WeakPolarHBondContact CA-OD1 3.46Å; E23-N86 PolarHBondContact N-OD1 3.46Å; N86-Q88 PolarHBondContact O-N 3.05Å
87G97.1Very high96.1Very high35 Ų3540.1 Ų40.136%0.36123%0.231SC..THydrogen-bonded Turntrans72.9-1.9-177.900000115.5I18 F85I18-G87 VanDerWaalsContact O-CA 3.32Å; I18-G87 WeakPolarHBondContact O-CA 3.49Å; F85-G87 VanDerWaalsContact C-N 3.26Å; F85-G87 PolarHBondContact O-N 3.25Å
88Q97.6Very high96Very high103 Ų10337.1 Ų37.148%0.48122%0.222SC..EExtended strand (participates in β ladder)trans-94.5131.7178.5-67.1-177.4-9.900111F84 F85 N86 M90 M128F84-Q88 CarbonylContact C-O 3.56Å; F84-Q88 WeakPolarHBondContact CA-O 3.41Å; F85-Q88 PolarHBondContact N-O 2.76Å; F85-Q88 WeakPolarHBondContact O-CB 3.35Å; F85-Q88 PolarHBondContact O-N 2.79Å; N86-Q88 PolarHBondContact O-N 3.05Å; Q88-M90 PolarHBondContact O-N 2.77Å; Q88-M128 HydrophobicContact CB-CE 3.7Å; Q88-M128 HydrophobicContact CB-SD 4.18Å; Q88-M128 HydrophobicContact CG-CE 4.2Å; Q88-M128 PolarHBondContact OE1-SD 3.44Å
89H98.1Very high96Very high39 Ų3937.8 Ų37.818%0.18122%0.224CC..EExtended strand (participates in β ladder)trans-70.4117.5177.2-179.7-166.1000110.1F73 F83 F84 T100F73-H89 AromaticContact CE1-CE1 3.62Å; F73-H89 AromaticContact CE1-ND1 3.86Å; F83-H89 PolarHBondContact O-CD2 2.85Å; F84-H89 HydrophobicContact CD1-CB 4.22Å; F84-H89 HydrophobicContact CE1-CB 3.96Å; F84-H89 HydrophobicContact CZ-CB 4.46Å; H89-T100 PolarHBondContact CE1-O 2.78Å; H89-T100 PolarHBondContact NE2-O 2.8Å
90M98.6Very high96Very high2 Ų239.6 Ų39.61%0.0124%0.235CC..EExtended strand (participates in β ladder)trans-88.5118.1178.2-67.9-60.4-58.800109.9F83 F85 Q88 I119 A123 K127 V130F83-M90 HydrophobicContact CB-CB 3.96Å; F83-M90 PolarHBondContact O-N 2.77Å; F85-M90 HydrophobicContact CB-CG 3.79Å; F85-M90 HydrophobicContact CB-SD 4.12Å; Q88-M90 PolarHBondContact O-N 2.77Å; M90-I119 HydrophobicContact CB-CG2 4.03Å; M90-I119 HydrophobicContact CE-CG2 4.17Å; M90-I119 HydrophobicContact CG-CG2 4.1Å; M90-A123 HydrophobicContact CE-CB 3.76Å; M90-A123 HydrophobicContact SD-CB 3.85Å; M90-K127 VanDerWaalsContact CE-O 3.24Å; M90-K127 WeakPolarHBondContact CE-O 3.45Å; M90-V130 HydrophobicContact CE-CG1 4.47Å
91K98.5Very high95.9Very high92 Ų9240.5 Ų40.540%0.424%0.239SC..EExtended strand (participates in β ladder)trans-88.2152.8173.9-65-177.4-176.1-178.10110.8H99 M128 I129 V130K91-H99 CarbonylContact C-O 3.48Å; K91-H99 WeakPolarHBondContact CA-O 3.28Å; K91-H99 HydrophobicContact CB-CB 4.18Å; K91-H99 WeakPolarHBondContact CB-O 3.34Å; K91-M128 PolarHBondContact N-O 2.57Å; K91-I129 HydrophobicContact CB-CB 4.05Å; K91-I129 HydrophobicContact CB-CD1 4.1Å; K91-I129 HydrophobicContact CB-CG1 3.87Å; K91-I129 VanDerWaalsContact O-CA 3.29Å; K91-I129 WeakPolarHBondContact O-CA 3.47Å; K91-V130 PolarHBondContact O-N 2.96Å; K91-V130 VanDerWaalsContact O-N 3.12Å
92V98.4Very high95.8Very high1 Ų140.7 Ų40.71%0.00624%0.24CC..EExtended strand (participates in β ladder)trans-135.6127.1176.2-174.50000109.7F83 Y94 H99 L115 I119 V130F83-V92 HydrophobicContact CD2-CG2 4.25Å; V92-Y94 HydrophobicContact CB-CD2 4.29Å; V92-Y94 HydrophobicContact CB-CE1 3.98Å; V92-Y94 HydrophobicContact CB-CE2 3.55Å; V92-Y94 VanDerWaalsContact CB-OH 3.29Å; V92-Y94 WeakPolarHBondContact CB-OH 3.31Å; V92-Y94 HydrophobicContact CG1-CD1 3.93Å; V92-Y94 HydrophobicContact CG1-CD2 4.32Å; V92-Y94 HydrophobicContact CG1-CE1 3.36Å; V92-Y94 HydrophobicContact CG1-CE2 3.85Å; V92-Y94 HydrophobicContact CG1-CG 4.35Å; V92-Y94 WeakPolarHBondContact CG2-OH 3.22Å; V92-Y94 WeakPolarHBondContact O-CD2 3.3Å; V92-Y94 WeakPolarHBondContact O-CE2 3.38Å; V92-Y94 PolarHBondContact O-N 2.85Å; V92-H99 PolarHBondContact N-O 2.95Å; V92-H99 WeakPolarHBondContact O-CA 3.37Å; V92-H99 VanDerWaalsContact O-CB 3.29Å; V92-H99 WeakPolarHBondContact O-CB 3.46Å; V92-L115 HydrophobicContact CG1-CD1 3.87Å; V92-L115 HydrophobicContact CG2-CD1 4.42Å; V92-I119 HydrophobicContact CG2-CD1 3.82Å; V92-I119 HydrophobicContact CG2-CG1 3.88Å; V92-V130 CarbonylContact C-O 3.58Å; V92-V130 VanDerWaalsContact CA-O 3.31Å; V92-V130 WeakPolarHBondContact CA-O 3.27Å; V92-V130 HydrophobicContact CB-CG2 4.44Å; V92-V130 HydrophobicContact CG1-CG2 4.22Å; V92-V130 HydrophobicContact CG2-CG2 3.94Å
93D96.6Very high95.6Very high57 Ų5742 Ų4231%0.30525%0.248SC..EExtended strand (participates in β ladder)trans-82.8110.7171.9-177.4-9.5000109.4G95 H99 V130 S132D93-G95 PolarHBondContact OD1-N 2.85Å; D93-H99 IonicContact OD1-NE2 2.64Å; D93-V130 PolarHBondContact N-O 2.78Å; D93-S132 WeakPolarHBondContact O-CB 3.38Å; D93-S132 PolarHBondContact O-N 2.78Å
94Y93.3Very high95.4Very high21 Ų2142 Ų428%0.08225%0.248CC..  trans-101.13.8176.5-60.6-69.8000112.5F83 V92 S96 F102 L115 S132 I139F83-Y94 WeakPolarHBondContact CE2-OH 3.4Å; V92-Y94 HydrophobicContact CB-CD2 4.29Å; V92-Y94 HydrophobicContact CB-CE1 3.98Å; V92-Y94 HydrophobicContact CB-CE2 3.55Å; V92-Y94 VanDerWaalsContact CB-OH 3.29Å; V92-Y94 WeakPolarHBondContact CB-OH 3.31Å; V92-Y94 HydrophobicContact CG1-CD1 3.93Å; V92-Y94 HydrophobicContact CG1-CD2 4.32Å; V92-Y94 HydrophobicContact CG1-CE1 3.36Å; V92-Y94 HydrophobicContact CG1-CE2 3.85Å; V92-Y94 HydrophobicContact CG1-CG 4.35Å; V92-Y94 WeakPolarHBondContact CG2-OH 3.22Å; V92-Y94 WeakPolarHBondContact O-CD2 3.3Å; V92-Y94 WeakPolarHBondContact O-CE2 3.38Å; V92-Y94 PolarHBondContact O-N 2.85Å; Y94-S96 VanDerWaalsContact C-N 3.27Å; Y94-F102 HydrophobicContact CD1-CD2 4.01Å; Y94-F102 HydrophobicContact CD1-CE2 4.37Å; Y94-F102 HydrophobicContact CD2-CD2 4.45Å; Y94-F102 AromaticContact CE1-CD2 3.56Å; Y94-F102 HydrophobicContact CE1-CD2 3.56Å; Y94-F102 HydrophobicContact CE1-CE2 4.18Å; Y94-F102 HydrophobicContact CE2-CB 4.06Å; Y94-F102 HydrophobicContact CE2-CD2 4.01Å; Y94-F102 HydrophobicContact CG-CD2 4.45Å; Y94-F102 AromaticContact CZ-CD2 3.57Å; Y94-L115 HydrophobicContact CE1-CD1 4Å; Y94-L115 HydrophobicContact CE1-CD2 4.12Å; Y94-S132 VanDerWaalsContact CD1-CB 3.44Å; Y94-I139 HydrophobicContact CD1-CD1 4.29Å; Y94-I139 WeakPolarHBondContact O-CD1 3.32Å
95G88.8Confident95.3Very high73 Ų7342 Ų4275%0.75325%0.25SS*.SBendtrans81.4-0.1-166.100000114.3D93D93-G95 PolarHBondContact OD1-N 2.85Å
96S86.5Confident95.2Very high46 Ų4641.9 Ų41.932%0.32225%0.249SC..SBendtrans-92.1155.717353.50000111.7Y94 D98 H99Y94-S96 VanDerWaalsContact C-N 3.27Å; S96-D98 PolarHBondContact O-N 2.98Å; S96-D98 PolarHBondContact OG-O 3.41Å; S96-H99 PolarHBondContact O-CD2 3.49Å; S96-H99 PolarHBondContact O-NE2 3.01Å
97P88.3Confident95Very high118 Ų11844.5 Ų44.577%0.76626%0.257SS*.SBendtrans-63-28.1177.2-23.734.5000114.6
98D91.7Very high95Very high38 Ų3845.7 Ų45.720%0.20326%0.257CS..  trans-92.4121.6175.2-170.91.6000110.3S96 T100 K101S96-D98 PolarHBondContact O-N 2.98Å; S96-D98 PolarHBondContact OG-O 3.41Å; D98-T100 VanDerWaalsContact OD1-CB 3.29Å; D98-T100 WeakPolarHBondContact OD1-CB 3.47Å; D98-T100 WeakPolarHBondContact OD1-CG2 3.37Å; D98-T100 PolarHBondContact OD1-N 3.36Å; D98-T100 PolarHBondContact OD1-OG1 2.7Å; D98-T100 PolarHBondContact OD2-OG1 2.97Å; D98-K101 WeakPolarHBondContact OD2-CE 3.38Å; D98-K101 IonicContact OD2-NZ 3.51Å; D98-K101 PolarHBondContact OD2-NZ 3.27Å
99H96.3Very high95Very high54 Ų5445.9 Ų45.925%0.2526%0.256CS..  trans-109.92.3177.1-56.4166000112.5K91 V92 D93 S96 I129K91-H99 CarbonylContact C-O 3.48Å; K91-H99 WeakPolarHBondContact CA-O 3.28Å; K91-H99 HydrophobicContact CB-CB 4.18Å; K91-H99 WeakPolarHBondContact CB-O 3.34Å; V92-H99 PolarHBondContact N-O 2.95Å; V92-H99 WeakPolarHBondContact O-CA 3.37Å; V92-H99 VanDerWaalsContact O-CB 3.29Å; V92-H99 WeakPolarHBondContact O-CB 3.46Å; D93-H99 IonicContact OD1-NE2 2.64Å; S96-H99 PolarHBondContact O-CD2 3.49Å; S96-H99 PolarHBondContact O-NE2 3.01Å; H99-I129 HydrophobicContact CB-CD1 4.35Å
100T96.6Very high94.9Very high39 Ų3948.9 Ų48.924%0.23927%0.27CS..SBendtrans-85.5-22.1-17066.10000113.3H89 D98H89-T100 PolarHBondContact CE1-O 2.78Å; H89-T100 PolarHBondContact NE2-O 2.8Å; D98-T100 VanDerWaalsContact OD1-CB 3.29Å; D98-T100 WeakPolarHBondContact OD1-CB 3.47Å; D98-T100 WeakPolarHBondContact OD1-CG2 3.37Å; D98-T100 PolarHBondContact OD1-N 3.36Å; D98-T100 PolarHBondContact OD1-OG1 2.7Å; D98-T100 PolarHBondContact OD2-OG1 2.97Å
101K96.4Very high94.9Very high18 Ų1849.5 Ų49.58%0.07827%0.274CS..  trans-150.9149.5-177.155.6-174.7177.2-75.60110.1F73 D74 I75 T81 V82 D98 V103F73-K101 PolarHBondContact O-NZ 2.9Å; D74-K101 VanDerWaalsContact O-CE 3.27Å; D74-K101 WeakPolarHBondContact O-CE 3.21Å; D74-K101 PolarHBondContact O-NZ 3.44Å; I75-K101 HydrophobicContact CD1-CD 3.74Å; T81-K101 CarbonylContact O-C 3.59Å; T81-K101 WeakPolarHBondContact O-CA 3.34Å; V82-K101 HydrophobicContact CG2-CB 4.03Å; D98-K101 WeakPolarHBondContact OD2-CE 3.38Å; D98-K101 IonicContact OD2-NZ 3.51Å; D98-K101 PolarHBondContact OD2-NZ 3.27Å; K101-V103 HydrophobicContact CD-CG2 4.37Å; K101-V103 HydrophobicContact CG-CG2 4.16Å
102F96.8Very high94.9Very high5 Ų545.1 Ų45.12%0.02226%0.255CS..EExtended strand (participates in β ladder)trans-90117.2165.2-178-97000108.6S80 T81 F83 Y94 F106 P140S80-F102 CarbonylContact C-O 3.54Å; S80-F102 WeakPolarHBondContact CA-O 3.5Å; T81-F102 PolarHBondContact N-O 3.48Å; T81-F102 PolarHBondContact O-N 3.01Å; F83-F102 HydrophobicContact CE2-CB 4.13Å; F83-F102 HydrophobicContact CZ-CB 4.47Å; Y94-F102 HydrophobicContact CD1-CD2 4.01Å; Y94-F102 HydrophobicContact CD1-CE2 4.37Å; Y94-F102 HydrophobicContact CD2-CD2 4.45Å; Y94-F102 AromaticContact CE1-CD2 3.56Å; Y94-F102 HydrophobicContact CE1-CD2 3.56Å; Y94-F102 HydrophobicContact CE1-CE2 4.18Å; Y94-F102 HydrophobicContact CE2-CB 4.06Å; Y94-F102 HydrophobicContact CE2-CD2 4.01Å; Y94-F102 HydrophobicContact CG-CD2 4.45Å; Y94-F102 AromaticContact CZ-CD2 3.57Å; F102-F106 HydrophobicContact CD1-CE1 4Å; F102-F106 HydrophobicContact CD1-CE2 4.06Å; F102-F106 AromaticContact CD1-CZ 3.6Å; F102-F106 HydrophobicContact CD1-CZ 3.6Å; F102-F106 HydrophobicContact CD2-CE1 4.25Å; F102-F106 HydrophobicContact CD2-CZ 4.44Å; F102-F106 AromaticContact CE1-CD1 3.96Å; F102-F106 HydrophobicContact CE1-CD1 3.96Å; F102-F106 HydrophobicContact CE1-CD2 4.27Å; F102-F106 AromaticContact CE1-CE1 3.61Å; F102-F106 HydrophobicContact CE1-CE1 3.61Å; F102-F106 AromaticContact CE1-CE2 3.94Å; F102-F106 HydrophobicContact CE1-CE2 3.94Å; F102-F106 HydrophobicContact CE1-CG 4.26Å; F102-F106 AromaticContact CE1-CZ 3.58Å; F102-F106 HydrophobicContact CE1-CZ 3.58Å; F102-F106 HydrophobicContact CE2-CD1 4.43Å; F102-F106 AromaticContact CE2-CE1 3.88Å; F102-F106 HydrophobicContact CE2-CE1 3.88Å; F102-F106 HydrophobicContact CE2-CZ 4.42Å; F102-F106 HydrophobicContact CG-CE1 4.3Å; F102-F106 HydrophobicContact CG-CZ 4.03Å; F102-F106 AromaticContact CZ-CD1 3.77Å; F102-F106 HydrophobicContact CZ-CD1 3.77Å; F102-F106 AromaticContact CZ-CE1 3.53Å; F102-F106 HydrophobicContact CZ-CE1 3.53Å; F102-F106 HydrophobicContact CZ-CG 4.42Å; F102-F106 HydrophobicContact CZ-CZ 4.01Å; F102-P140 HydrophobicContact CZ-CG 4.32Å
103V95.1Very high94.9Very high28 Ų2846.5 Ų46.517%0.1726%0.262CS..EExtended strand (participates in β ladder)trans-91.8136.2176.9-172.80000108.6Y77 K101 Y142Y77-V103 HydrophobicContact CG-CG1 4.47Å; K101-V103 HydrophobicContact CD-CG2 4.37Å; K101-V103 HydrophobicContact CG-CG2 4.16Å; V103-Y142 HydrophobicContact CB-CD2 3.89Å; V103-Y142 HydrophobicContact CB-CE2 3.76Å; V103-Y142 HydrophobicContact CG1-CD2 3.68Å; V103-Y142 HydrophobicContact CG1-CE1 4.47Å; V103-Y142 HydrophobicContact CG1-CE2 3.47Å; V103-Y142 VanDerWaalsContact CG1-CE2 3.47Å; V103-Y142 HydrophobicContact CG1-CG 4.27Å; V103-Y142 WeakPolarHBondContact O-CE2 3.41Å
104G94.8Very high95Very high0 Ų046.3 Ų46.30%026%0.261CS..SBendtrans95.5-166.917600000115.7P79 Y142P79-G104 PolarHBondContact O-N 2.93Å; G104-Y142 WeakPolarHBondContact CA-OH 3.36Å
105S95.8Very high95.2Very high17 Ų1745.3 Ų45.312%0.11926%0.257CS..  trans-106.3154.5179-170.60000111.2L41 P140L41-S105 WeakPolarHBondContact CA-OG 3.41Å; L41-S105 PolarHBondContact N-OG 3.15Å; S105-P140 VanDerWaalsContact O-CG 3.27Å; S105-P140 WeakPolarHBondContact O-CG 3.16Å
106F96Very high95.7Very high8 Ų841.9 Ų41.94%0.03522%0.221CC..  trans-76.9144.2173.3-62.4-80.6000110.4L41 I44 F102 D111 F112 L115 I134L41-F106 HydrophobicContact CD1-CD2 3.49Å; L41-F106 VanDerWaalsContact CD1-CD2 3.49Å; L41-F106 HydrophobicContact CD1-CE2 3.83Å; I44-F106 HydrophobicContact CD1-CB 4.03Å; I44-F106 WeakPolarHBondContact CD1-O 3.34Å; F102-F106 HydrophobicContact CD1-CE1 4Å; F102-F106 HydrophobicContact CD1-CE2 4.06Å; F102-F106 AromaticContact CD1-CZ 3.6Å; F102-F106 HydrophobicContact CD1-CZ 3.6Å; F102-F106 HydrophobicContact CD2-CE1 4.25Å; F102-F106 HydrophobicContact CD2-CZ 4.44Å; F102-F106 AromaticContact CE1-CD1 3.96Å; F102-F106 HydrophobicContact CE1-CD1 3.96Å; F102-F106 HydrophobicContact CE1-CD2 4.27Å; F102-F106 AromaticContact CE1-CE1 3.61Å; F102-F106 HydrophobicContact CE1-CE1 3.61Å; F102-F106 AromaticContact CE1-CE2 3.94Å; F102-F106 HydrophobicContact CE1-CE2 3.94Å; F102-F106 HydrophobicContact CE1-CG 4.26Å; F102-F106 AromaticContact CE1-CZ 3.58Å; F102-F106 HydrophobicContact CE1-CZ 3.58Å; F102-F106 HydrophobicContact CE2-CD1 4.43Å; F102-F106 AromaticContact CE2-CE1 3.88Å; F102-F106 HydrophobicContact CE2-CE1 3.88Å; F102-F106 HydrophobicContact CE2-CZ 4.42Å; F102-F106 HydrophobicContact CG-CE1 4.3Å; F102-F106 HydrophobicContact CG-CZ 4.03Å; F102-F106 AromaticContact CZ-CD1 3.77Å; F102-F106 HydrophobicContact CZ-CD1 3.77Å; F102-F106 AromaticContact CZ-CE1 3.53Å; F102-F106 HydrophobicContact CZ-CE1 3.53Å; F102-F106 HydrophobicContact CZ-CG 4.42Å; F102-F106 HydrophobicContact CZ-CZ 4.01Å; F106-D111 HydrophobicContact CB-CB 4.46Å; F106-D111 HydrophobicContact CD1-CB 4.24Å; F106-F112 HydrophobicContact CB-CB 4.42Å; F106-F112 HydrophobicContact CD1-CB 4.28Å; F106-F112 HydrophobicContact CD2-CB 3.83Å; F106-F112 AromaticContact CD2-CD2 3.83Å; F106-F112 HydrophobicContact CD2-CD2 3.83Å; F106-F112 HydrophobicContact CD2-CG 4.11Å; F106-F112 HydrophobicContact CE1-CD2 4.39Å; F106-F112 HydrophobicContact CE2-CB 4.21Å; F106-F112 AromaticContact CE2-CD2 3.35Å; F106-F112 HydrophobicContact CE2-CD2 3.35Å; F106-F112 HydrophobicContact CE2-CE2 4.08Å; F106-F112 HydrophobicContact CE2-CG 4.1Å; F106-F112 HydrophobicContact CG-CB 3.9Å; F106-F112 AromaticContact CZ-CD2 3.69Å; F106-F112 HydrophobicContact CZ-CD2 3.69Å; F106-F112 HydrophobicContact CZ-CE2 4.44Å; F106-L115 HydrophobicContact CE1-CD2 3.57Å; F106-L115 HydrophobicContact CZ-CD2 3.67Å; F106-I134 HydrophobicContact CD1-CD1 3.83Å; F106-I134 HydrophobicContact CE1-CD1 3.68Å
107K94.5Very high96.3Very high141 Ų14142.5 Ų42.561%0.61322%0.219SC*.SBendtrans-68.5-38.4176-173-179.6-179.11740111.6N138K107-N138 HydrophobicContact CB-CB 4.2Å; K107-N138 HydrophobicContact CD-CB 3.95Å; K107-N138 VanDerWaalsContact CD-CG 3.45Å; K107-N138 WeakPolarHBondContact CD-OD1 3.46Å; K107-N138 PolarHBondContact NZ-OD1 3.09Å
108T96.1Very high96.8Very high59 Ų5939 Ų3936%0.36220%0.195SC..SBendtrans-135.3161.7179.774.20000112.1Q110 D111T108-Q110 PolarHBondContact O-N 3.32Å; T108-Q110 PolarHBondContact OG1-N 2.82Å; T108-D111 WeakPolarHBondContact CB-OD2 3.41Å; T108-D111 PolarHBondContact N-OD2 3.48Å; T108-D111 PolarHBondContact O-N 3.43Å; T108-D111 PolarHBondContact OG1-N 3.34Å; T108-D111 VanDerWaalsContact OG1-N 3.15Å; T108-D111 PolarHBondContact OG1-OD2 3.06Å
109K97.3Very high97.1Very high107 Ų10737.2 Ų37.247%0.46519%0.186SC..Hα-helixtrans-60.9-34.7171-65.8-174.5-66.6165.40112.5I44 K47 T48 F112 I113I44-K109 HydrophobicContact CG1-CG 4.47Å; I44-K109 HydrophobicContact CG2-CG 4.29Å; K47-K109 HydrophobicContact CB-CD 3.79Å; K47-K109 HydrophobicContact CD-CD 4.08Å; T48-K109 HydrophobicContact CG2-CB 3.76Å; T48-K109 HydrophobicContact CG2-CD 4.24Å; T48-K109 HydrophobicContact CG2-CG 4.07Å; K109-F112 PolarHBondContact O-N 2.83Å; K109-I113 WeakPolarHBondContact O-CG1 3.41Å; K109-I113 PolarHBondContact O-N 3.36Å; K109-I113 VanDerWaalsContact O-N 3.08Å
110Q97.4Very high97.2Very high102 Ų10237.1 Ų37.148%0.47718%0.184SC..Hα-helixtrans-68.5-39.9-178.2-166.5624500110.9T108 F112 I113 D114T108-Q110 PolarHBondContact O-N 3.32Å; T108-Q110 PolarHBondContact OG1-N 2.82Å; Q110-F112 PolarHBondContact O-N 3.35Å; Q110-I113 PolarHBondContact O-N 2.89Å; Q110-I113 VanDerWaalsContact O-N 3.09Å; Q110-D114 PolarHBondContact NE2-OD1 2.94Å; Q110-D114 WeakPolarHBondContact O-CB 3.46Å; Q110-D114 VanDerWaalsContact O-CG 3.23Å; Q110-D114 PolarHBondContact O-N 3.42Å
111D97.7Very high97.3Very high15 Ų1542 Ų428%0.0820%0.197CC..Hα-helixtrans-55.9-40.7175.5-61.4-50.4000111.6F106 T108 L115 I134F106-D111 HydrophobicContact CB-CB 4.46Å; F106-D111 HydrophobicContact CD1-CB 4.24Å; T108-D111 WeakPolarHBondContact CB-OD2 3.41Å; T108-D111 PolarHBondContact N-OD2 3.48Å; T108-D111 PolarHBondContact O-N 3.43Å; T108-D111 PolarHBondContact OG1-N 3.34Å; T108-D111 VanDerWaalsContact OG1-N 3.15Å; T108-D111 PolarHBondContact OG1-OD2 3.06Å; D111-L115 WeakPolarHBondContact O-CB 3.43Å; D111-L115 PolarHBondContact O-N 2.97Å; D111-L115 VanDerWaalsContact O-N 3.14Å; D111-I134 HydrophobicContact CB-CD1 4.18Å; D111-I134 HydrophobicContact CB-CG1 4.12Å; D111-I134 HydrophobicContact CB-CG2 4.21Å
112F98.4Very high97.4Very high0 Ų041.4 Ų41.40%020%0.197CC..Hα-helixtrans-68.9-44.2176178.9-119000112.4V27 I44 L45 T48 L52 I58 F106 K109 Q110 L115 I116V27-F112 HydrophobicContact CG1-CE2 4.37Å; V27-F112 HydrophobicContact CG1-CZ 4.34Å; V27-F112 HydrophobicContact CG2-CZ 4.46Å; I44-F112 HydrophobicContact CG2-CB 3.97Å; I44-F112 HydrophobicContact CG2-CD1 4.35Å; I44-F112 HydrophobicContact CG2-CG 4.37Å; L45-F112 HydrophobicContact CD2-CD1 4.03Å; L45-F112 HydrophobicContact CD2-CD2 4.11Å; L45-F112 HydrophobicContact CD2-CE1 3.46Å; L45-F112 VanDerWaalsContact CD2-CE1 3.46Å; L45-F112 HydrophobicContact CD2-CE2 3.56Å; L45-F112 HydrophobicContact CD2-CG 4.33Å; L45-F112 HydrophobicContact CD2-CZ 3.2Å; T48-F112 HydrophobicContact CG2-CD1 4.29Å; T48-F112 WeakPolarHBondContact OG1-CD1 3.38Å; T48-F112 VanDerWaalsContact OG1-CE1 3.31Å; T48-F112 WeakPolarHBondContact OG1-CE1 3.08Å; L52-F112 HydrophobicContact CD1-CD1 3.71Å; L52-F112 HydrophobicContact CD1-CE1 3.36Å; L52-F112 HydrophobicContact CD1-CZ 4.17Å; I58-F112 HydrophobicContact CD1-CE1 3.84Å; I58-F112 HydrophobicContact CD1-CZ 3.97Å; F106-F112 HydrophobicContact CB-CB 4.42Å; F106-F112 HydrophobicContact CD1-CB 4.28Å; F106-F112 HydrophobicContact CD2-CB 3.83Å; F106-F112 AromaticContact CD2-CD2 3.83Å; F106-F112 HydrophobicContact CD2-CD2 3.83Å; F106-F112 HydrophobicContact CD2-CG 4.11Å; F106-F112 HydrophobicContact CE1-CD2 4.39Å; F106-F112 HydrophobicContact CE2-CB 4.21Å; F106-F112 AromaticContact CE2-CD2 3.35Å; F106-F112 HydrophobicContact CE2-CD2 3.35Å; F106-F112 HydrophobicContact CE2-CE2 4.08Å; F106-F112 HydrophobicContact CE2-CG 4.1Å; F106-F112 HydrophobicContact CG-CB 3.9Å; F106-F112 AromaticContact CZ-CD2 3.69Å; F106-F112 HydrophobicContact CZ-CD2 3.69Å; F106-F112 HydrophobicContact CZ-CE2 4.44Å; K109-F112 PolarHBondContact O-N 2.83Å; Q110-F112 PolarHBondContact O-N 3.35Å; F112-L115 PolarHBondContact O-N 3.04Å; F112-I116 HydrophobicContact CD2-CG1 4.09Å; F112-I116 HydrophobicContact CE1-CG1 4.22Å; F112-I116 HydrophobicContact CE2-CD1 3.76Å; F112-I116 HydrophobicContact CE2-CG1 3.62Å; F112-I116 HydrophobicContact CZ-CD1 3.95Å; F112-I116 HydrophobicContact CZ-CG1 3.68Å; F112-I116 WeakPolarHBondContact O-CG1 3.08Å; F112-I116 PolarHBondContact O-N 2.66Å
113I98.6Very high97.5Very high30 Ų3041.6 Ų41.615%0.15420%0.2CC..Hα-helixtrans-59.6-49.1177.9-70.2166.4000110.8T48 L52 K109 Q110 L115 I116 E117T48-I113 HydrophobicContact CG2-CD1 3.92Å; T48-I113 HydrophobicContact CG2-CG1 3.92Å; L52-I113 HydrophobicContact CD1-CG1 4.16Å; L52-I113 HydrophobicContact CD2-CB 4.35Å; L52-I113 HydrophobicContact CD2-CG1 4.16Å; L52-I113 HydrophobicContact CD2-CG2 4.11Å; L52-I113 HydrophobicContact CG-CG1 4.21Å; K109-I113 WeakPolarHBondContact O-CG1 3.41Å; K109-I113 PolarHBondContact O-N 3.36Å; K109-I113 VanDerWaalsContact O-N 3.08Å; Q110-I113 PolarHBondContact O-N 2.89Å; Q110-I113 VanDerWaalsContact O-N 3.09Å; I113-L115 VanDerWaalsContact C-N 3.32Å; I113-L115 PolarHBondContact O-N 3Å; I113-I116 PolarHBondContact O-N 2.9Å; I113-E117 PolarHBondContact O-N 3.49Å
114D98.4Very high97.6Very high54 Ų5445.1 Ų45.129%0.28922%0.215SC..Hα-helixtrans-61.4-43.1-178.4-67.1-14.8000110.8Q110 E117 V118 P133Q110-D114 PolarHBondContact NE2-OD1 2.94Å; Q110-D114 WeakPolarHBondContact O-CB 3.46Å; Q110-D114 VanDerWaalsContact O-CG 3.23Å; Q110-D114 PolarHBondContact O-N 3.42Å; D114-E117 PolarHBondContact O-N 3.01Å; D114-V118 WeakPolarHBondContact O-CG2 3.49Å; D114-V118 PolarHBondContact O-N 3.07Å; D114-P133 HydrophobicContact CB-CB 4.47Å; D114-P133 HydrophobicContact CB-CG 3.88Å
115L98.6Very high97.8Very high0 Ų054.4 Ų54.40%025%0.25CS..Hα-helixtrans-60.3-47.617617762.4000111.8F83 V92 Y94 F106 D111 F112 I113 E117 V118 I119 I134F83-L115 HydrophobicContact CE2-CD2 4.4Å; F83-L115 HydrophobicContact CZ-CD2 3.92Å; V92-L115 HydrophobicContact CG1-CD1 3.87Å; V92-L115 HydrophobicContact CG2-CD1 4.42Å; Y94-L115 HydrophobicContact CE1-CD1 4Å; Y94-L115 HydrophobicContact CE1-CD2 4.12Å; F106-L115 HydrophobicContact CE1-CD2 3.57Å; F106-L115 HydrophobicContact CZ-CD2 3.67Å; D111-L115 WeakPolarHBondContact O-CB 3.43Å; D111-L115 PolarHBondContact O-N 2.97Å; D111-L115 VanDerWaalsContact O-N 3.14Å; F112-L115 PolarHBondContact O-N 3.04Å; I113-L115 VanDerWaalsContact C-N 3.32Å; I113-L115 PolarHBondContact O-N 3Å; L115-E117 VanDerWaalsContact C-N 3.31Å; L115-E117 PolarHBondContact O-N 3.03Å; L115-V118 PolarHBondContact O-N 3.16Å; L115-I119 HydrophobicContact CD1-CD1 3.94Å; L115-I119 HydrophobicContact CD1-CG1 4.19Å; L115-I119 HydrophobicContact CG-CD1 3.85Å; L115-I119 HydrophobicContact CG-CG1 4.49Å; L115-I119 VanDerWaalsContact O-CG1 3.29Å; L115-I119 WeakPolarHBondContact O-CG1 3.37Å; L115-I119 PolarHBondContact O-N 3.26Å; L115-I134 HydrophobicContact CB-CD1 4.1Å; L115-I134 HydrophobicContact CB-CG1 4.46Å; L115-I134 HydrophobicContact CD2-CD1 4.19Å
116I98.8Very high97.8Very high0 Ų056.5 Ų56.50%028%0.275CS..Hα-helixtrans-61.9-41178.7-68.5-61.9000111.2V25 V27 L52 M55 A56 F83 F112 I113 V118 I119 Y120V25-I116 HydrophobicContact CG1-CD1 4.13Å; V27-I116 HydrophobicContact CG2-CD1 3.48Å; V27-I116 VanDerWaalsContact CG2-CD1 3.48Å; L52-I116 HydrophobicContact CD1-CB 4.28Å; L52-I116 HydrophobicContact CD1-CG1 4.09Å; L52-I116 HydrophobicContact CD1-CG2 4.37Å; L52-I116 HydrophobicContact CD2-CB 4.16Å; L52-I116 HydrophobicContact CD2-CG2 3.89Å; M55-I116 HydrophobicContact CB-CG2 4.27Å; A56-I116 HydrophobicContact CB-CG2 3.76Å; F83-I116 HydrophobicContact CD1-CD1 4.16Å; F83-I116 HydrophobicContact CE1-CD1 3.84Å; F112-I116 HydrophobicContact CD2-CG1 4.09Å; F112-I116 HydrophobicContact CE1-CG1 4.22Å; F112-I116 HydrophobicContact CE2-CD1 3.76Å; F112-I116 HydrophobicContact CE2-CG1 3.62Å; F112-I116 HydrophobicContact CZ-CD1 3.95Å; F112-I116 HydrophobicContact CZ-CG1 3.68Å; F112-I116 WeakPolarHBondContact O-CG1 3.08Å; F112-I116 PolarHBondContact O-N 2.66Å; I113-I116 PolarHBondContact O-N 2.9Å; I116-V118 PolarHBondContact O-N 3.25Å; I116-I119 PolarHBondContact O-N 2.83Å; I116-Y120 VanDerWaalsContact O-CB 3.24Å; I116-Y120 WeakPolarHBondContact O-CB 3.23Å; I116-Y120 PolarHBondContact O-N 2.96Å
117E98.6Very high97.9Very high60 Ų6061.5 Ų61.528%0.2830%0.297SS..Hα-helixtrans-61.1-43.8176.8-177.8174.8172.800111.8M55 I113 D114 L115 Y120 R121M55-E117 HydrophobicContact SD-CB 4.47Å; M55-E117 HydrophobicContact SD-CG 4.48Å; I113-E117 PolarHBondContact O-N 3.49Å; D114-E117 PolarHBondContact O-N 3.01Å; L115-E117 VanDerWaalsContact C-N 3.31Å; L115-E117 PolarHBondContact O-N 3.03Å; E117-Y120 PolarHBondContact O-N 2.94Å; E117-R121 HydrophobicContact CG-CG 4.36Å; E117-R121 WeakPolarHBondContact O-CB 3.21Å; E117-R121 VanDerWaalsContact O-CG 3.27Å; E117-R121 WeakPolarHBondContact O-CG 3.33Å; E117-R121 PolarHBondContact O-N 3.34Å; E117-R121 IonicContact OE1-CZ 3.07Å; E117-R121 IonicContact OE1-NE 2.78Å; E117-R121 PolarHBondContact OE1-NE 2.98Å; E117-R121 IonicContact OE1-NH2 2.62Å; E117-R121 PolarHBondContact OE1-NH2 3.17Å
118V98.6Very high97.9Very high44 Ų4458.9 Ų58.927%0.26729%0.288SS..Hα-helixtrans-65.7-43.5177.7169.40000111.8D114 L115 I116 G122 V130 Q131 P133D114-V118 WeakPolarHBondContact O-CG2 3.49Å; D114-V118 PolarHBondContact O-N 3.07Å; L115-V118 PolarHBondContact O-N 3.16Å; I116-V118 PolarHBondContact O-N 3.25Å; V118-G122 PolarHBondContact O-N 2.94Å; V118-V130 HydrophobicContact CG1-CB 3.93Å; V118-V130 HydrophobicContact CG1-CG2 4.02Å; V118-Q131 WeakPolarHBondContact CG1-O 3.4Å; V118-P133 HydrophobicContact CB-CG 4.23Å; V118-P133 HydrophobicContact CG2-CB 3.9Å; V118-P133 HydrophobicContact CG2-CG 3.66Å
119I98.8Very high98Very high0 Ų059.8 Ų59.80%029%0.29CS..Hα-helixtrans-61.2-49.4175.6-64.4166.7000109.9V25 F83 M90 V92 L115 I116 G122 A123 V130V25-I119 HydrophobicContact CB-CG2 4.48Å; V25-I119 HydrophobicContact CG1-CG2 3.83Å; V25-I119 HydrophobicContact CG2-CB 4.23Å; V25-I119 HydrophobicContact CG2-CG2 3.75Å; F83-I119 HydrophobicContact CB-CD1 4.27Å; F83-I119 HydrophobicContact CD1-CD1 3.71Å; F83-I119 HydrophobicContact CD2-CD1 3.88Å; F83-I119 HydrophobicContact CE1-CD1 3.95Å; F83-I119 HydrophobicContact CE2-CD1 4.12Å; F83-I119 HydrophobicContact CG-CD1 3.67Å; F83-I119 HydrophobicContact CZ-CD1 4.15Å; M90-I119 HydrophobicContact CB-CG2 4.03Å; M90-I119 HydrophobicContact CE-CG2 4.17Å; M90-I119 HydrophobicContact CG-CG2 4.1Å; V92-I119 HydrophobicContact CG2-CD1 3.82Å; V92-I119 HydrophobicContact CG2-CG1 3.88Å; L115-I119 HydrophobicContact CD1-CD1 3.94Å; L115-I119 HydrophobicContact CD1-CG1 4.19Å; L115-I119 HydrophobicContact CG-CD1 3.85Å; L115-I119 HydrophobicContact CG-CG1 4.49Å; L115-I119 VanDerWaalsContact O-CG1 3.29Å; L115-I119 WeakPolarHBondContact O-CG1 3.37Å; L115-I119 PolarHBondContact O-N 3.26Å; I116-I119 PolarHBondContact O-N 2.83Å; I119-G122 PolarHBondContact O-N 2.75Å; I119-A123 WeakPolarHBondContact O-CB 3.27Å; I119-A123 PolarHBondContact O-N 2.62Å; I119-V130 HydrophobicContact CG1-CG2 3.82Å
120Y98.7Very high98.1Very high53 Ų5355.2 Ų55.221%0.20827%0.27CS..Hα-helixtrans-58.7-52.9-179.2179.9-100.8000111.6E23 V25 M55 F85 I116 E117 G122 A123 M124E23-Y120 WeakPolarHBondContact O-CE2 3.24Å; V25-Y120 HydrophobicContact CG2-CD2 4.22Å; M55-Y120 HydrophobicContact CB-CD1 4.45Å; M55-Y120 HydrophobicContact CB-CD2 4.05Å; M55-Y120 HydrophobicContact CB-CG 4.03Å; M55-Y120 HydrophobicContact CG-CD1 3.91Å; M55-Y120 HydrophobicContact CG-CD2 4.31Å; M55-Y120 HydrophobicContact CG-CE1 4.16Å; M55-Y120 HydrophobicContact CG-CG 4Å; M55-Y120 WeakPolarHBondContact O-CD2 3.33Å; M55-Y120 HydrophobicContact SD-CD1 4.02Å; M55-Y120 HydrophobicContact SD-CG 4.31Å; F85-Y120 AromaticContact CE2-CD2 3.87Å; F85-Y120 HydrophobicContact CE2-CD2 3.87Å; F85-Y120 AromaticContact CE2-CE2 3.99Å; F85-Y120 HydrophobicContact CE2-CE2 3.99Å; I116-Y120 VanDerWaalsContact O-CB 3.24Å; I116-Y120 WeakPolarHBondContact O-CB 3.23Å; I116-Y120 PolarHBondContact O-N 2.96Å; E117-Y120 PolarHBondContact O-N 2.94Å; Y120-G122 VanDerWaalsContact C-N 3.28Å; Y120-G122 PolarHBondContact O-N 2.65Å; Y120-A123 PolarHBondContact O-N 2.9Å; Y120-M124 HydrophobicContact CD1-CG 4.28Å; Y120-M124 HydrophobicContact CD2-CG 4.48Å; Y120-M124 HydrophobicContact CE1-CG 3.92Å; Y120-M124 HydrophobicContact CE2-CG 4.14Å; Y120-M124 HydrophobicContact CE2-SD 4.37Å; Y120-M124 WeakPolarHBondContact O-CB 3.21Å; Y120-M124 VanDerWaalsContact O-CG 3.25Å; Y120-M124 WeakPolarHBondContact O-CG 3.25Å; Y120-M124 PolarHBondContact O-N 3.5Å
121R98.4Very high98.1Very high140 Ų14057.4 Ų57.453%0.52828%0.281SS..Hα-helixtrans-62.2-36.1178.5-70.8175.7-179.8-107.95.8112.2E117 R125E117-R121 HydrophobicContact CG-CG 4.36Å; E117-R121 WeakPolarHBondContact O-CB 3.21Å; E117-R121 VanDerWaalsContact O-CG 3.27Å; E117-R121 WeakPolarHBondContact O-CG 3.33Å; E117-R121 PolarHBondContact O-N 3.34Å; E117-R121 IonicContact OE1-CZ 3.07Å; E117-R121 IonicContact OE1-NE 2.78Å; E117-R121 PolarHBondContact OE1-NE 2.98Å; E117-R121 IonicContact OE1-NH2 2.62Å; E117-R121 PolarHBondContact OE1-NH2 3.17Å; R121-R125 WeakPolarHBondContact O-CG 3.31Å; R121-R125 PolarHBondContact O-N 3.48Å
122G98.6Very high98.1Very high6 Ų657.5 Ų57.56%0.06228%0.283CS..Hα-helixtrans-66-49175.600000112.2V118 I119 Y120 R125 G126 K127V118-G122 PolarHBondContact O-N 2.94Å; I119-G122 PolarHBondContact O-N 2.75Å; Y120-G122 VanDerWaalsContact C-N 3.28Å; Y120-G122 PolarHBondContact O-N 2.65Å; G122-R125 CarbonylContact O-C 3.5Å; G122-R125 WeakPolarHBondContact O-CA 2.97Å; G122-R125 WeakPolarHBondContact O-CB 3.34Å; G122-R125 PolarHBondContact O-N 3.1Å; G122-G126 PolarHBondContact O-N 2.82Å; G122-K127 WeakPolarHBondContact O-CB 3.35Å; G122-K127 PolarHBondContact O-N 3.41Å
123A98.3Very high97.9Very high10 Ų1060.4 Ų60.48%0.08330%0.301CS..Hα-helixtrans-65.2-40.4-179.600000112.2F85 M90 I119 Y120 R125 G126F85-A123 HydrophobicContact CB-CB 3.7Å; F85-A123 HydrophobicContact CD1-CB 3.57Å; F85-A123 HydrophobicContact CD2-CB 3.67Å; F85-A123 HydrophobicContact CE1-CB 4.07Å; F85-A123 HydrophobicContact CE2-CB 4.17Å; F85-A123 HydrophobicContact CG-CB 3.35Å; F85-A123 HydrophobicContact CZ-CB 4.36Å; M90-A123 HydrophobicContact CE-CB 3.76Å; M90-A123 HydrophobicContact SD-CB 3.85Å; I119-A123 WeakPolarHBondContact O-CB 3.27Å; I119-A123 PolarHBondContact O-N 2.62Å; Y120-A123 PolarHBondContact O-N 2.9Å; A123-R125 PolarHBondContact O-N 3.42Å; A123-R125 VanDerWaalsContact O-N 3.1Å; A123-G126 WeakPolarHBondContact O-CA 3.43Å; A123-G126 PolarHBondContact O-N 3.25Å
124M97.8Very high97.7Very high102 Ų10259.5 Ų59.550%0.50230%0.297SS..THydrogen-bonded Turntrans-59.5-21.1172.4-72.8-63.3-71.500113.2F85 Y120F85-M124 HydrophobicContact CE1-SD 4.3Å; F85-M124 HydrophobicContact CE2-SD 4.44Å; F85-M124 HydrophobicContact CZ-CG 4.16Å; F85-M124 HydrophobicContact CZ-SD 3.57Å; F85-M124 VanDerWaalsContact CZ-SD 3.57Å; Y120-M124 HydrophobicContact CD1-CG 4.28Å; Y120-M124 HydrophobicContact CD2-CG 4.48Å; Y120-M124 HydrophobicContact CE1-CG 3.92Å; Y120-M124 HydrophobicContact CE2-CG 4.14Å; Y120-M124 HydrophobicContact CE2-SD 4.37Å; Y120-M124 WeakPolarHBondContact O-CB 3.21Å; Y120-M124 VanDerWaalsContact O-CG 3.25Å; Y120-M124 WeakPolarHBondContact O-CG 3.25Å; Y120-M124 PolarHBondContact O-N 3.5Å
125R97.7Very high97.2Very high194 Ų19460.5 Ų60.573%0.73230%0.302SS*.THydrogen-bonded Turntrans-98.410.9174.5-65.2176.1-178.5-170.31.4113R121 G122 A123 K127R121-R125 WeakPolarHBondContact O-CG 3.31Å; R121-R125 PolarHBondContact O-N 3.48Å; G122-R125 CarbonylContact O-C 3.5Å; G122-R125 WeakPolarHBondContact O-CA 2.97Å; G122-R125 WeakPolarHBondContact O-CB 3.34Å; G122-R125 PolarHBondContact O-N 3.1Å; A123-R125 PolarHBondContact O-N 3.42Å; A123-R125 VanDerWaalsContact O-N 3.1Å; R125-K127 VanDerWaalsContact C-N 3.32Å; R125-K127 PolarHBondContact O-N 3.47Å
126G96.6Very high96.7Very high62 Ų6265 Ų6564%0.63933%0.331SS*.THydrogen-bonded Turntrans74.416179.400000114.8G122 A123G122-G126 PolarHBondContact O-N 2.82Å; A123-G126 WeakPolarHBondContact O-CA 3.43Å; A123-G126 PolarHBondContact O-N 3.25Å
127K97.8Very high96.2Very high113 Ų11372.7 Ų72.749%0.49137%0.367SS..  trans-75.8143.7173.1-62.1-172.6175.4-172.90110.2M90 G122 R125 V130M90-K127 VanDerWaalsContact CE-O 3.24Å; M90-K127 WeakPolarHBondContact CE-O 3.45Å; G122-K127 WeakPolarHBondContact O-CB 3.35Å; G122-K127 PolarHBondContact O-N 3.41Å; R125-K127 VanDerWaalsContact C-N 3.32Å; R125-K127 PolarHBondContact O-N 3.47Å; K127-V130 HydrophobicContact CD-CG1 4.49Å
128M95.9Very high95.6Very high85 Ų8571.4 Ų71.442%0.41936%0.362SS..SBendtrans-101.7-12.8173.3-60.9-62.5-65.500113Q88 K91Q88-M128 HydrophobicContact CB-CE 3.7Å; Q88-M128 HydrophobicContact CB-SD 4.18Å; Q88-M128 HydrophobicContact CG-CE 4.2Å; Q88-M128 PolarHBondContact OE1-SD 3.44Å; K91-M128 PolarHBondContact N-O 2.57Å
129I98.3Very high95Very high79 Ų7970.5 Ų70.541%0.40536%0.356SS..EExtended strand (participates in β ladder)trans-140138.8177.6-172.5167000109.5K91 H99K91-I129 HydrophobicContact CB-CB 4.05Å; K91-I129 HydrophobicContact CB-CD1 4.1Å; K91-I129 HydrophobicContact CB-CG1 3.87Å; K91-I129 VanDerWaalsContact O-CA 3.29Å; K91-I129 WeakPolarHBondContact O-CA 3.47Å; H99-I129 HydrophobicContact CB-CD1 4.35Å
130V98.4Very high94.2Very high10 Ų1072.4 Ų72.46%0.06137%0.368CS..EExtended strand (participates in β ladder)trans-128.1157175.2-61.50000110.3M90 K91 V92 D93 V118 I119 K127M90-V130 HydrophobicContact CE-CG1 4.47Å; K91-V130 PolarHBondContact O-N 2.96Å; K91-V130 VanDerWaalsContact O-N 3.12Å; V92-V130 CarbonylContact C-O 3.58Å; V92-V130 VanDerWaalsContact CA-O 3.31Å; V92-V130 WeakPolarHBondContact CA-O 3.27Å; V92-V130 HydrophobicContact CB-CG2 4.44Å; V92-V130 HydrophobicContact CG1-CG2 4.22Å; V92-V130 HydrophobicContact CG2-CG2 3.94Å; D93-V130 PolarHBondContact N-O 2.78Å; V118-V130 HydrophobicContact CG1-CB 3.93Å; V118-V130 HydrophobicContact CG1-CG2 4.02Å; I119-V130 HydrophobicContact CG1-CG2 3.82Å; K127-V130 HydrophobicContact CD-CG1 4.49Å
131Q97.9Very high93.1Very high149 Ų14978.7 Ų78.770%0.69640%0.396SS*.EExtended strand (participates in β ladder)trans-89.2133.8171.5-173.2176.91.600109V118V118-Q131 WeakPolarHBondContact CG1-O 3.4Å
132S96.5Very high91.6Very high17 Ų1776.4 Ų76.412%0.11939%0.388CS..  trans-61136.5177.8-179.30000111.4D93 Y94 I134D93-S132 WeakPolarHBondContact O-CB 3.38Å; D93-S132 PolarHBondContact O-N 2.78Å; Y94-S132 VanDerWaalsContact CD1-CB 3.44Å; S132-I134 VanDerWaalsContact C-N 3.32Å; S132-I134 WeakPolarHBondContact OG-CB 3.48Å; S132-I134 PolarHBondContact OG-N 2.84Å
133P95.3Very high89.5Confident61 Ų6182.6 Ų82.640%0.39642%0.42SS..  trans-82.2-11.3172.134.1-34.7000113.2D114 V118D114-P133 HydrophobicContact CB-CB 4.47Å; D114-P133 HydrophobicContact CB-CG 3.88Å; V118-P133 HydrophobicContact CB-CG 4.23Å; V118-P133 HydrophobicContact CG2-CB 3.9Å; V118-P133 HydrophobicContact CG2-CG 3.66Å
134I93.4Very high87.4Confident10 Ų1086.3 Ų86.35%0.05144%0.438CS..SBendtrans-68.7137.7-173.1-56.2171.8000109.6F106 D111 L115 S132 P136 N138 I139F106-I134 HydrophobicContact CD1-CD1 3.83Å; F106-I134 HydrophobicContact CE1-CD1 3.68Å; D111-I134 HydrophobicContact CB-CD1 4.18Å; D111-I134 HydrophobicContact CB-CG1 4.12Å; D111-I134 HydrophobicContact CB-CG2 4.21Å; L115-I134 HydrophobicContact CB-CD1 4.1Å; L115-I134 HydrophobicContact CB-CG1 4.46Å; L115-I134 HydrophobicContact CD2-CD1 4.19Å; S132-I134 VanDerWaalsContact C-N 3.32Å; S132-I134 WeakPolarHBondContact OG-CB 3.48Å; S132-I134 PolarHBondContact OG-N 2.84Å; I134-P136 WeakPolarHBondContact O-CD 3.39Å; I134-N138 HydrophobicContact CG2-CB 3.9Å; I134-I139 HydrophobicContact CB-CG1 4.25Å; I134-I139 HydrophobicContact CG2-CG1 3.96Å
135D89.2Confident84.9Confident75 Ų7587.2 Ų87.240%0.40144%0.444SS..  trans-53.4124.7171.3-173.6-32.4000109.6Q137 N138 I139D135-Q137 PolarHBondContact O-N 3.48Å; D135-Q137 WeakPolarHBondContact OD1-CB 3.27Å; D135-Q137 WeakPolarHBondContact OD1-CG 3.21Å; D135-Q137 PolarHBondContact OD1-N 2.79Å; D135-N138 HydrophobicContact CB-CB 4.46Å; D135-N138 WeakPolarHBondContact O-CA 3.37Å; D135-N138 WeakPolarHBondContact O-CB 3.5Å; D135-N138 PolarHBondContact O-N 3.13Å; D135-I139 PolarHBondContact O-N 3.17Å
136P87.1Confident82.3Confident94 Ų9487.7 Ų87.761%0.6145%0.448SS*.THydrogen-bonded Turntrans-52.9-24177.8-2835.3000114.8I134 N138 I139I134-P136 WeakPolarHBondContact O-CD 3.39Å; P136-N138 VanDerWaalsContact C-N 3.29Å; P136-I139 PolarHBondContact O-N 2.82Å
137Q87.6Confident79.5Confident162 Ų16292.7 Ų92.776%0.75745%0.454SS*.THydrogen-bonded Turntrans-71.9-22.9174.5-60.8-178.230.200113.4D135D135-Q137 PolarHBondContact O-N 3.48Å; D135-Q137 WeakPolarHBondContact OD1-CB 3.27Å; D135-Q137 WeakPolarHBondContact OD1-CG 3.21Å; D135-Q137 PolarHBondContact OD1-N 2.79Å
138N87.6Confident76.7Confident33 Ų3390.7 Ų90.718%0.17647%0.465CS..THydrogen-bonded Turntrans-92.8-10.7178.5-63.7-15.9000112.4K107 I134 D135 P136 P140K107-N138 HydrophobicContact CB-CB 4.2Å; K107-N138 HydrophobicContact CD-CB 3.95Å; K107-N138 VanDerWaalsContact CD-CG 3.45Å; K107-N138 WeakPolarHBondContact CD-OD1 3.46Å; K107-N138 PolarHBondContact NZ-OD1 3.09Å; I134-N138 HydrophobicContact CG2-CB 3.9Å; D135-N138 HydrophobicContact CB-CB 4.46Å; D135-N138 WeakPolarHBondContact O-CA 3.37Å; D135-N138 WeakPolarHBondContact O-CB 3.5Å; D135-N138 PolarHBondContact O-N 3.13Å; P136-N138 VanDerWaalsContact C-N 3.29Å; N138-P140 WeakPolarHBondContact O-CD 3.47Å
139I85Confident74Confident26 Ų2698.1 Ų98.113%0.13350%0.504CS..SBendtrans-76.5123175.3-61.6177.1000108.3Y94 I134 D135 P136 K141Y94-I139 HydrophobicContact CD1-CD1 4.29Å; Y94-I139 WeakPolarHBondContact O-CD1 3.32Å; I134-I139 HydrophobicContact CB-CG1 4.25Å; I134-I139 HydrophobicContact CG2-CG1 3.96Å; D135-I139 PolarHBondContact O-N 3.17Å; P136-I139 PolarHBondContact O-N 2.82Å; I139-K141 PolarHBondContact O-N 3.25Å
140P83.1Confident72.7Confident39 Ų3999.1 Ų99.125%0.25351%0.509SS..  trans-55.8127.7175.6-26.235.7000111.1F102 S105 N138 Y142F102-P140 HydrophobicContact CZ-CG 4.32Å; S105-P140 VanDerWaalsContact O-CG 3.27Å; S105-P140 WeakPolarHBondContact O-CG 3.16Å; N138-P140 WeakPolarHBondContact O-CD 3.47Å; P140-Y142 HydrophobicContact CB-CD2 4.27Å; P140-Y142 HydrophobicContact CB-CE2 3.45Å; P140-Y142 VanDerWaalsContact CB-CE2 3.45Å; P140-Y142 HydrophobicContact CG-CE2 4.49Å
141K75.8Confident71.4Confident185 Ų185103.8 Ų103.880%0.80453%0.533SS*.  trans-93115.1176.2-63.2-177.5-177.8179.90108.5I139I139-K141 PolarHBondContact O-N 3.25Å
142Y65.7Low69.9Low93 Ų93101.3 Ų101.337%0.36552%0.523SS..  trans-108.1127.1168.8-59.6-79.7000108V103 G104 P140 L144V103-Y142 HydrophobicContact CB-CD2 3.89Å; V103-Y142 HydrophobicContact CB-CE2 3.76Å; V103-Y142 HydrophobicContact CG1-CD2 3.68Å; V103-Y142 HydrophobicContact CG1-CE1 4.47Å; V103-Y142 HydrophobicContact CG1-CE2 3.47Å; V103-Y142 VanDerWaalsContact CG1-CE2 3.47Å; V103-Y142 HydrophobicContact CG1-CG 4.27Å; V103-Y142 WeakPolarHBondContact O-CE2 3.41Å; G104-Y142 WeakPolarHBondContact CA-OH 3.36Å; P140-Y142 HydrophobicContact CB-CD2 4.27Å; P140-Y142 HydrophobicContact CB-CE2 3.45Å; P140-Y142 VanDerWaalsContact CB-CE2 3.45Å; P140-Y142 HydrophobicContact CG-CE2 4.49Å; Y142-L144 PolarHBondContact O-N 3.09Å
143D54Low68.3Low136 Ų136106.2 Ų106.273%0.72755%0.547SS*.  trans-70.6100.2163.8-73.1-33.8000106.7L145D143-L145 HydrophobicContact CB-CG 4.27Å; D143-L145 PolarHBondContact O-N 2.98Å
144L54Low66.7Low87 Ų87109.1 Ų109.146%0.45556%0.557SS.*  trans-66.479162.3-68.5171.4000106.6Y77 Y142 Y146Y77-L144 HydrophobicContact CE2-CD2 4.17Å; Y142-L144 PolarHBondContact O-N 3.09Å; L144-Y146 PolarHBondContact O-N 3.31Å
145L45.7Very low64.9Low121 Ų121115.7 Ų115.763%0.63459%0.59SS**  trans-65.496.2166.4-69.4173.2000105.6D143 H147D143-L145 HydrophobicContact CB-CG 4.27Å; D143-L145 PolarHBondContact O-N 2.98Å; L145-H147 PolarHBondContact O-N 3.46Å
146Y42.8Very low63.2Low205 Ų205118.6 Ų118.680%0.80460%0.604SS**  trans-57.393.9160.6-82-87.3000106.5L144 G148L144-Y146 PolarHBondContact O-N 3.31Å; Y146-G148 PolarHBondContact O-N 3.45Å
147H38.5Very low61.3Low167 Ų167120.5 Ų120.577%0.77360%0.603SS**  trans-67100.1158.5-76.8-30.5000105.4L145 I149L145-H147 PolarHBondContact O-N 3.46Å; H147-I149 PolarHBondContact O-N 3.17Å
148G39.3Very low59.1Low70 Ų70117 Ų11772%0.72259%0.591SS**  trans-47.4135.6179.500000110.6Y146Y146-G148 PolarHBondContact O-N 3.45Å
149I37.9Very low56.5Low242 Ų242124.6 Ų124.6100%1.24163%0.628SS**  trans-62.80164-50.9171000108.1H147H147-I149 PolarHBondContact O-N 3.17Å

Retrieved 149 of 149 residues in 67.8 ms (Link to these results)

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