A0A087XED8_POEFO Loading...

Meiotic nuclear division protein 1 homolog

Required for proper homologous chromosome pairing and efficient cross-over and intragenic recombination during meiosis.

AlphaFold DB , UniProt , Accession A0A087XED8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 205 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
1M35.9Very low67.2Low240 Ų240129.8 Ų129.8100%1.18267%0.672SS**  0930-71.2-88.5-98.700108K3M1-K3 PolarHBondContact O-N 3.47Å
2S43.3Very low69.2Low121 Ų121121.9 Ų121.985%0.84663%0.628SS**  trans-67.7128.5-172.5-163.70000110.6K4S2-K4 PolarHBondContact O-N 3.37Å; S2-K4 VanDerWaalsContact O-N 3.12Å
3K47Very low71Confident202 Ų202114.2 Ų114.288%0.87859%0.586SS**  trans-58.4114.7178.4-75.4180177.1177.80108.4M1 K5M1-K3 PolarHBondContact O-N 3.47Å; K3-K5 PolarHBondContact O-N 3.12Å; K3-K5 VanDerWaalsContact O-N 3.12Å
4K53.6Low72.5Confident208 Ų208112.3 Ų112.390%0.90458%0.576SS**PPolyproline II helixtrans-53.3119.3175.8-73.9-178.1176.6179.10108.8S2 G6S2-K4 PolarHBondContact O-N 3.37Å; S2-K4 VanDerWaalsContact O-N 3.12Å; K4-G6 PolarHBondContact O-N 3.12Å
5K61.9Low73.8Confident208 Ų208111.2 Ų111.290%0.90456%0.562SS**PPolyproline II helixtrans-55.7128175.4-154175.6-176.5-176.50108.1K3K3-K5 PolarHBondContact O-N 3.12Å; K3-K5 VanDerWaalsContact O-N 3.12Å
6G68.1Low75Confident66 Ų66104.3 Ų104.368%0.6853%0.527SS*.PPolyproline II helixtrans-63.5145.4177.600000110.9K4 S8K4-G6 PolarHBondContact O-N 3.12Å; G6-S8 PolarHBondContact O-N 3.17Å
7L77.8Confident76.1Confident43 Ų4399.1 Ų99.123%0.22550%0.501CS..PPolyproline II helixtrans-59131.1173.3-80.4150.2000110.7E11 K12 R15 G41L7-E11 HydrophobicContact CD2-CB 3.6Å; L7-E11 HydrophobicContact CD2-CG 4.49Å; L7-K12 HydrophobicContact CB-CG 3.88Å; L7-K12 VanDerWaalsContact O-CE 3.31Å; L7-K12 WeakPolarHBondContact O-CE 3.45Å; L7-R15 VanDerWaalsContact CD2-CZ 3.42Å; L7-G41 WeakPolarHBondContact CD1-O 3.47Å
8S87.9Confident77Confident55 Ų5597.6 Ų97.639%0.38549%0.492SS..PPolyproline II helixtrans-67.3162.7168.465.60000111.5G6 E10 E11 K12G6-S8 PolarHBondContact O-N 3.17Å; S8-E10 VanDerWaalsContact C-N 3.3Å; S8-E10 PolarHBondContact O-N 3.23Å; S8-E11 WeakPolarHBondContact CB-OE2 3.16Å; S8-E11 PolarHBondContact N-OE2 3.13Å; S8-E11 PolarHBondContact O-N 3.26Å; S8-E11 WeakPolarHBondContact OG-CB 3.31Å; S8-E11 WeakPolarHBondContact OG-CG 3.44Å; S8-E11 PolarHBondContact OG-N 2.84Å; S8-E11 PolarHBondContact OG-OE2 3.25Å; S8-K12 WeakPolarHBondContact O-CG 3.45Å; S8-K12 PolarHBondContact O-N 3.44Å
9L84.8Confident77.8Confident90 Ų9092.9 Ų92.947%0.47147%0.468SS..Hα-helixtrans-61.1-39.8179.2-176.3134.8000111.9K12 R13L9-K12 WeakPolarHBondContact O-CB 3.28Å; L9-K12 PolarHBondContact O-N 3.16Å; L9-R13 HydrophobicContact CD2-CG 4.41Å; L9-R13 WeakPolarHBondContact O-CG 3.33Å; L9-R13 PolarHBondContact O-N 2.87Å
10E88.6Confident78.5Confident103 Ų10388.4 Ų88.448%0.48145%0.445SS..Hα-helixtrans-67.9-41.3178.4-165.356.4-148.800112.4S8 K12 R13 I14S8-E10 VanDerWaalsContact C-N 3.3Å; S8-E10 PolarHBondContact O-N 3.23Å; E10-K12 VanDerWaalsContact C-N 3.28Å; E10-K12 PolarHBondContact O-N 2.82Å; E10-R13 WeakPolarHBondContact O-CB 3.35Å; E10-R13 PolarHBondContact O-N 3.23Å; E10-R13 VanDerWaalsContact O-N 3.15Å; E10-R13 IonicContact OE2-NE 2.78Å; E10-I14 HydrophobicContact CG-CD1 4.37Å; E10-I14 WeakPolarHBondContact O-CG1 3.31Å; E10-I14 PolarHBondContact O-N 3.47Å
11E90.3Very high79.1Confident92 Ų9288 Ų8843%0.4344%0.441SS..Hα-helixtrans-63.6-34.9174.2-69.9164.6140.600111.9L7 S8 R15L7-E11 HydrophobicContact CD2-CB 3.6Å; L7-E11 HydrophobicContact CD2-CG 4.49Å; S8-E11 WeakPolarHBondContact CB-OE2 3.16Å; S8-E11 PolarHBondContact N-OE2 3.13Å; S8-E11 PolarHBondContact O-N 3.26Å; S8-E11 WeakPolarHBondContact OG-CB 3.31Å; S8-E11 WeakPolarHBondContact OG-CG 3.44Å; S8-E11 PolarHBondContact OG-N 2.84Å; S8-E11 PolarHBondContact OG-OE2 3.25Å; E11-R15 WeakPolarHBondContact O-CB 3.47Å; E11-R15 VanDerWaalsContact O-CG 3.27Å; E11-R15 WeakPolarHBondContact O-CG 3.43Å; E11-R15 PolarHBondContact O-N 3.28Å
12K90.8Very high81.7Confident35 Ų3582.6 Ų82.615%0.15241%0.413CS..Hα-helixtrans-66.5-40.7173.2-67173.7-171.9-176.10111.5L7 S8 L9 E10 R15 M16 I42 T46 V50L7-K12 HydrophobicContact CB-CG 3.88Å; L7-K12 VanDerWaalsContact O-CE 3.31Å; L7-K12 WeakPolarHBondContact O-CE 3.45Å; S8-K12 WeakPolarHBondContact O-CG 3.45Å; S8-K12 PolarHBondContact O-N 3.44Å; L9-K12 WeakPolarHBondContact O-CB 3.28Å; L9-K12 PolarHBondContact O-N 3.16Å; E10-K12 VanDerWaalsContact C-N 3.28Å; E10-K12 PolarHBondContact O-N 2.82Å; K12-R15 PolarHBondContact O-N 3.26Å; K12-M16 VanDerWaalsContact O-CB 3.27Å; K12-M16 WeakPolarHBondContact O-CB 3.47Å; K12-M16 PolarHBondContact O-N 3.17Å; K12-I42 HydrophobicContact CB-CD1 4.47Å; K12-I42 HydrophobicContact CD-CG2 4.34Å; K12-I42 HydrophobicContact CG-CG2 4.34Å; K12-I42 WeakPolarHBondContact O-CD1 3.47Å; K12-T46 PolarHBondContact NZ-OG1 3.33Å; K12-T46 VanDerWaalsContact NZ-OG1 3.17Å; K12-V50 HydrophobicContact CB-CG1 4.09Å; K12-V50 HydrophobicContact CB-CG2 3.79Å; K12-V50 HydrophobicContact CD-CG2 3.93Å
13R93Very high83.9Confident21 Ų2179.3 Ų79.38%0.07939%0.39CS..Hα-helixtrans-61.6-48.6176.7-76.2171.260.6109.4-1.7111.6L9 E10 R15 M16 M17 V50 S53 L54 D57L9-R13 HydrophobicContact CD2-CG 4.41Å; L9-R13 WeakPolarHBondContact O-CG 3.33Å; L9-R13 PolarHBondContact O-N 2.87Å; E10-R13 WeakPolarHBondContact O-CB 3.35Å; E10-R13 PolarHBondContact O-N 3.23Å; E10-R13 VanDerWaalsContact O-N 3.15Å; E10-R13 IonicContact OE2-NE 2.78Å; R13-R15 PolarHBondContact O-N 3.22Å; R13-M16 PolarHBondContact O-N 3.46Å; R13-M17 WeakPolarHBondContact O-CG 3.29Å; R13-M17 PolarHBondContact O-N 3.09Å; R13-V50 HydrophobicContact CG-CG1 4.03Å; R13-S53 VanDerWaalsContact NH1-C 3.31Å; R13-S53 VanDerWaalsContact NH1-CB 3.28Å; R13-S53 PolarHBondContact NH1-O 3.47Å; R13-S53 PolarHBondContact NH1-OG 3.06Å; R13-L54 HydrophobicContact CB-CD2 3.94Å; R13-L54 HydrophobicContact CB-CG 4.47Å; R13-L54 HydrophobicContact CG-CD2 4.07Å; R13-L54 HydrophobicContact CG-CG 4.25Å; R13-D57 IonicContact CZ-OD2 3.76Å; R13-D57 IonicContact NH1-OD2 3.56Å; R13-D57 PolarHBondContact NH1-OD2 3.03Å; R13-D57 IonicContact NH2-OD2 2.9Å; R13-D57 PolarHBondContact NH2-OD2 2.82Å
14I92Very high86Confident88 Ų8876.2 Ų76.245%0.45138%0.376SS..Hα-helixtrans-58.1-51.1176.4-67166.8000110.5E10 M16 M17 E18E10-I14 HydrophobicContact CG-CD1 4.37Å; E10-I14 WeakPolarHBondContact O-CG1 3.31Å; E10-I14 PolarHBondContact O-N 3.47Å; I14-M16 VanDerWaalsContact C-N 3.3Å; I14-M16 PolarHBondContact O-N 3.23Å; I14-M17 WeakPolarHBondContact O-CB 3.2Å; I14-M17 PolarHBondContact O-N 3.15Å; I14-M17 VanDerWaalsContact O-N 3.16Å; I14-E18 WeakPolarHBondContact O-CG 3.37Å; I14-E18 PolarHBondContact O-N 3.18Å
15R92.6Very high87.8Confident96 Ų9670.7 Ų70.736%0.36236%0.357SS..Hα-helixtrans-63.5-34.3179.6-76-174.1-171-163.22.7113.5L7 E11 K12 R13 E18 I19 K40 I42L7-R15 VanDerWaalsContact CD2-CZ 3.42Å; E11-R15 WeakPolarHBondContact O-CB 3.47Å; E11-R15 VanDerWaalsContact O-CG 3.27Å; E11-R15 WeakPolarHBondContact O-CG 3.43Å; E11-R15 PolarHBondContact O-N 3.28Å; K12-R15 PolarHBondContact O-N 3.26Å; R13-R15 PolarHBondContact O-N 3.22Å; R15-E18 PolarHBondContact O-N 2.94Å; R15-I19 PolarHBondContact O-N 2.9Å; R15-K40 HydrophobicContact CB-CB 4Å; R15-K40 HydrophobicContact CB-CG 4.37Å; R15-K40 WeakPolarHBondContact CD-O 3.37Å; R15-K40 PolarHBondContact NH1-O 3.31Å; R15-I42 HydrophobicContact CB-CD1 4.25Å
16M93.2Very high89.3Confident0 Ų063.8 Ų63.80%033%0.332CS..Hα-helixtrans-67-42.1174.7-171.472.377.400110.9K12 R13 I14 E18 I19 F20 I32 A36 I42 V47 V50 L54K12-M16 VanDerWaalsContact O-CB 3.27Å; K12-M16 WeakPolarHBondContact O-CB 3.47Å; K12-M16 PolarHBondContact O-N 3.17Å; R13-M16 PolarHBondContact O-N 3.46Å; I14-M16 VanDerWaalsContact C-N 3.3Å; I14-M16 PolarHBondContact O-N 3.23Å; M16-E18 VanDerWaalsContact C-N 3.33Å; M16-E18 PolarHBondContact O-N 3.3Å; M16-I19 WeakPolarHBondContact O-CB 3.21Å; M16-I19 PolarHBondContact O-N 3.29Å; M16-I19 HydrophobicContact SD-CD1 4.13Å; M16-F20 HydrophobicContact CG-CE2 4.06Å; M16-F20 VanDerWaalsContact O-CD2 3.27Å; M16-F20 WeakPolarHBondContact O-CD2 3.36Å; M16-I32 HydrophobicContact CE-CG2 4.15Å; M16-I32 HydrophobicContact SD-CG2 3.58Å; M16-I32 VanDerWaalsContact SD-CG2 3.58Å; M16-A36 HydrophobicContact CE-CB 3.88Å; M16-A36 HydrophobicContact SD-CB 3.9Å; M16-I42 HydrophobicContact CB-CD1 4.01Å; M16-I42 HydrophobicContact CE-CD1 3.74Å; M16-I42 HydrophobicContact CE-CG2 4.5Å; M16-I42 HydrophobicContact SD-CD1 4.27Å; M16-V47 HydrophobicContact CE-CB 4.38Å; M16-V47 HydrophobicContact CE-CG1 3.85Å; M16-V50 HydrophobicContact CB-CG1 4.08Å; M16-V50 HydrophobicContact CE-CB 4.29Å; M16-V50 HydrophobicContact CE-CG1 4.04Å; M16-V50 HydrophobicContact CG-CG1 4.42Å; M16-L54 HydrophobicContact CB-CD1 3.77Å; M16-L54 HydrophobicContact CG-CD1 3.71Å
17M92.3Very high90.6Very high16 Ų1661.5 Ų61.58%0.07930%0.303CS..Hα-helixtrans-62-38.8175-75-63.4-62.400112.8R13 I14 I19 F20 F21 L54 M59 V60 A73R13-M17 WeakPolarHBondContact O-CG 3.29Å; R13-M17 PolarHBondContact O-N 3.09Å; I14-M17 WeakPolarHBondContact O-CB 3.2Å; I14-M17 PolarHBondContact O-N 3.15Å; I14-M17 VanDerWaalsContact O-N 3.16Å; M17-I19 PolarHBondContact O-N 2.91Å; M17-F20 PolarHBondContact O-N 2.86Å; M17-F20 VanDerWaalsContact O-N 3.15Å; M17-F21 HydrophobicContact CE-CD1 4.3Å; M17-F21 HydrophobicContact CE-CE1 3.51Å; M17-F21 HydrophobicContact CE-CE2 3.85Å; M17-F21 HydrophobicContact CE-CZ 3.25Å; M17-F21 PolarHBondContact O-N 3.49Å; M17-L54 HydrophobicContact CG-CD1 4.04Å; M17-L54 HydrophobicContact CG-CD2 3.9Å; M17-L54 HydrophobicContact SD-CD1 4.13Å; M17-L54 HydrophobicContact SD-CD2 4.13Å; M17-M59 HydrophobicContact CE-CB 4.28Å; M17-M59 HydrophobicContact CE-CE 4.13Å; M17-M59 HydrophobicContact CG-CE 3.52Å; M17-M59 HydrophobicContact SD-CB 3.97Å; M17-M59 HydrophobicContact SD-CE 3.85Å; M17-V60 HydrophobicContact SD-CG2 3.6Å; M17-V60 VanDerWaalsContact SD-CG2 3.6Å; M17-A73 HydrophobicContact CE-CB 4.13Å
18E92.4Very high91.4Very high72 Ų7262 Ų6234%0.33631%0.305SS..Hα-helixtrans-56.7-38.3174.7-71.8172.5-175.800111.9I14 R15 M16 F20 F21 E22 K40I14-E18 WeakPolarHBondContact O-CG 3.37Å; I14-E18 PolarHBondContact O-N 3.18Å; R15-E18 PolarHBondContact O-N 2.94Å; M16-E18 VanDerWaalsContact C-N 3.33Å; M16-E18 PolarHBondContact O-N 3.3Å; E18-F20 VanDerWaalsContact C-N 3.34Å; E18-F20 PolarHBondContact O-N 2.63Å; E18-F21 PolarHBondContact O-N 3.44Å; E18-E22 WeakPolarHBondContact O-CB 3.39Å; E18-E22 VanDerWaalsContact O-CG 3.22Å; E18-E22 WeakPolarHBondContact O-CG 3.3Å; E18-E22 PolarHBondContact O-N 3.07Å; E18-K40 WeakPolarHBondContact OE2-CE 3.22Å; E18-K40 IonicContact OE2-NZ 2.84Å; E18-K40 PolarHBondContact OE2-NZ 3.18Å
19I92.4Very high91.6Very high10 Ų1061.5 Ų61.55%0.05130%0.297CS..Hα-helixtrans-58.1-49.1177.1-62.1168000110R15 M16 M17 S23 F27 I35 A36 K40R15-I19 PolarHBondContact O-N 2.9Å; M16-I19 WeakPolarHBondContact O-CB 3.21Å; M16-I19 PolarHBondContact O-N 3.29Å; M16-I19 HydrophobicContact SD-CD1 4.13Å; M17-I19 PolarHBondContact O-N 2.91Å; I19-S23 VanDerWaalsContact O-CB 3.23Å; I19-S23 WeakPolarHBondContact O-CB 3.42Å; I19-S23 PolarHBondContact O-N 2.93Å; I19-S23 PolarHBondContact O-OG 3.49Å; I19-F27 HydrophobicContact CG2-CE2 4.5Å; I19-I35 HydrophobicContact CD1-CG2 4.34Å; I19-I35 HydrophobicContact CG2-CG2 3.79Å; I19-A36 HydrophobicContact CD1-CB 3.86Å; I19-K40 HydrophobicContact CD1-CB 4.42Å; I19-K40 HydrophobicContact CD1-CG 3.85Å; I19-K40 HydrophobicContact CG1-CG 3.64Å
20F92.4Very high92Very high1 Ų164.1 Ų64.10%0.00431%0.305CS..Hα-helixtrans-66.2-41.2179.7-67-74.9000112.4M16 M17 E18 S23 K24 F27 I32 L51 V60 A73M16-F20 HydrophobicContact CG-CE2 4.06Å; M16-F20 VanDerWaalsContact O-CD2 3.27Å; M16-F20 WeakPolarHBondContact O-CD2 3.36Å; M17-F20 PolarHBondContact O-N 2.86Å; M17-F20 VanDerWaalsContact O-N 3.15Å; E18-F20 VanDerWaalsContact C-N 3.34Å; E18-F20 PolarHBondContact O-N 2.63Å; F20-S23 PolarHBondContact O-OG 3.46Å; F20-K24 WeakPolarHBondContact O-CA 3.43Å; F20-K24 PolarHBondContact O-N 2.91Å; F20-F27 AromaticContact CD1-CD2 3.82Å; F20-F27 HydrophobicContact CD1-CD2 3.82Å; F20-F27 HydrophobicContact CD1-CE2 4.1Å; F20-F27 AromaticContact CE1-CD2 3.73Å; F20-F27 HydrophobicContact CE1-CD2 3.73Å; F20-F27 HydrophobicContact CE1-CE2 4.44Å; F20-I32 HydrophobicContact CE1-CD1 3.9Å; F20-I32 HydrophobicContact CE2-CD1 4.46Å; F20-I32 HydrophobicContact CZ-CD1 3.45Å; F20-I32 VanDerWaalsContact CZ-CD1 3.45Å; F20-I32 HydrophobicContact CZ-CG1 4.47Å; F20-L51 HydrophobicContact CE2-CD1 3.96Å; F20-L51 HydrophobicContact CZ-CD1 3.71Å; F20-V60 HydrophobicContact CD2-CG2 3.89Å; F20-V60 HydrophobicContact CE1-CG1 4.28Å; F20-V60 HydrophobicContact CE2-CG1 4.1Å; F20-V60 HydrophobicContact CE2-CG2 3.64Å; F20-V60 HydrophobicContact CZ-CG1 3.82Å; F20-V60 HydrophobicContact CZ-CG2 4.23Å; F20-A73 HydrophobicContact CB-CB 3.76Å; F20-A73 HydrophobicContact CG-CB 4.12Å
21F90.7Very high92.2Very high81 Ų8162.1 Ų62.136%0.35530%0.297SS..Hα-helixtrans-75.3-32.1-177.1-73.3-1.7000113.9M17 E18 K24 A73 P75M17-F21 HydrophobicContact CE-CD1 4.3Å; M17-F21 HydrophobicContact CE-CE1 3.51Å; M17-F21 HydrophobicContact CE-CE2 3.85Å; M17-F21 HydrophobicContact CE-CZ 3.25Å; M17-F21 PolarHBondContact O-N 3.49Å; E18-F21 PolarHBondContact O-N 3.44Å; F21-K24 WeakPolarHBondContact O-CG 3.44Å; F21-A73 HydrophobicContact CD1-CB 4.29Å; F21-A73 HydrophobicContact CE1-CB 3.84Å; F21-P75 HydrophobicContact CB-CG 4.02Å; F21-P75 HydrophobicContact CD1-CG 3.86Å; F21-P75 HydrophobicContact CD2-CG 4.35Å; F21-P75 HydrophobicContact CE1-CG 4.37Å; F21-P75 HydrophobicContact CG-CG 3.83Å
22E90.9Very high92.3Very high126 Ų12657.9 Ų57.959%0.58928%0.278SS*.Hα-helixtrans-75.5-48.1175.1-71.8168.4-172.100111E18 K40E18-E22 WeakPolarHBondContact O-CB 3.39Å; E18-E22 VanDerWaalsContact O-CG 3.22Å; E18-E22 WeakPolarHBondContact O-CG 3.3Å; E18-E22 PolarHBondContact O-N 3.07Å; E22-K40 VanDerWaalsContact CD-NZ 3.35Å; E22-K40 IonicContact OE1-NZ 3.11Å; E22-K40 PolarHBondContact OE1-NZ 3.45Å; E22-K40 IonicContact OE2-NZ 2.77Å; E22-K40 PolarHBondContact OE2-NZ 3.43Å; E22-K40 VanDerWaalsContact OE2-NZ 3.11Å
23S89.4Confident92.4Very high53 Ų5360.1 Ų60.137%0.37129%0.289SS..Hα-helixtrans-73.1-35.4-178.261.90000113.3I19 F20 D25 F27I19-S23 VanDerWaalsContact O-CB 3.23Å; I19-S23 WeakPolarHBondContact O-CB 3.42Å; I19-S23 PolarHBondContact O-N 2.93Å; I19-S23 PolarHBondContact O-OG 3.49Å; F20-S23 PolarHBondContact O-OG 3.46Å; S23-D25 PolarHBondContact O-N 3.44Å; S23-F27 WeakPolarHBondContact OG-CE2 3.32Å; S23-F27 VanDerWaalsContact OG-CZ 3.24Å; S23-F27 WeakPolarHBondContact OG-CZ 3.48Å
24K90.5Very high92.3Very high136 Ų13666.4 Ų66.459%0.59132%0.316SS*.  trans50.842.5-173.6-54.1171.2-172.3166.90111.3F20 F21 F74F20-K24 WeakPolarHBondContact O-CA 3.43Å; F20-K24 PolarHBondContact O-N 2.91Å; F21-K24 WeakPolarHBondContact O-CG 3.44Å; K24-F74 HydrophobicContact CB-CD1 4.29Å; K24-F74 HydrophobicContact CB-CE1 4.16Å; K24-F74 WeakPolarHBondContact O-CE1 3.22Å
25D91.9Very high92.3Very high93 Ų9364.9 Ų64.950%0.49731%0.309SS..  trans-127.6169.8-176.6-155.9-0.6000111.3S23 F27S23-D25 PolarHBondContact O-N 3.44Å; D25-F27 HydrophobicContact CB-CE1 4.37Å; D25-F27 HydrophobicContact CB-CE2 4.15Å; D25-F27 HydrophobicContact CB-CZ 3.84Å
26V93.5Very high92.2Very high62 Ų6260.3 Ų60.338%0.37629%0.292SS..  trans-105.2129.3179.8-173.10000109.2Y70 W72V26-Y70 HydrophobicContact CG1-CD1 3.94Å; V26-Y70 HydrophobicContact CG1-CG 4.35Å; V26-W72 HydrophobicContact CB-CB 4.42Å; V26-W72 HydrophobicContact CG1-CB 4.37Å; V26-W72 HydrophobicContact CG1-CE3 4.08Å; V26-W72 HydrophobicContact CG2-CB 4.01Å; V26-W72 HydrophobicContact CG2-CG 4.45Å
27F94.2Very high92.1Very high19 Ų1962 Ų628%0.08330%0.302CS..EExtended strand (participates in β ladder)trans-121149.3-174.5-59.2-76.3000112.5I19 F20 S23 D25 D31 I32 I35 Y71I19-F27 HydrophobicContact CG2-CE2 4.5Å; F20-F27 AromaticContact CD1-CD2 3.82Å; F20-F27 HydrophobicContact CD1-CD2 3.82Å; F20-F27 HydrophobicContact CD1-CE2 4.1Å; F20-F27 AromaticContact CE1-CD2 3.73Å; F20-F27 HydrophobicContact CE1-CD2 3.73Å; F20-F27 HydrophobicContact CE1-CE2 4.44Å; S23-F27 WeakPolarHBondContact OG-CE2 3.32Å; S23-F27 VanDerWaalsContact OG-CZ 3.24Å; S23-F27 WeakPolarHBondContact OG-CZ 3.48Å; D25-F27 HydrophobicContact CB-CE1 4.37Å; D25-F27 HydrophobicContact CB-CE2 4.15Å; D25-F27 HydrophobicContact CB-CZ 3.84Å; F27-D31 HydrophobicContact CB-CB 4.3Å; F27-D31 HydrophobicContact CD1-CB 4.09Å; F27-I32 HydrophobicContact CB-CD1 3.9Å; F27-I32 HydrophobicContact CB-CG1 3.53Å; F27-I32 HydrophobicContact CG-CG1 4.13Å; F27-I35 HydrophobicContact CD1-CD1 3.84Å; F27-I35 HydrophobicContact CE1-CD1 3.55Å; F27-I35 HydrophobicContact CZ-CD1 4.36Å; F27-Y71 PolarHBondContact N-O 2.95Å; F27-Y71 PolarHBondContact O-N 3.36Å
28Q94.9Very high92Very high54 Ų5470.5 Ų70.525%0.25234%0.339SS..EExtended strand (participates in β ladder)trans-87161.6160.4-61.9-175.6-11.600110.1K30 D31 I32 Y70Q28-K30 PolarHBondContact O-N 2.76Å; Q28-K30 VanDerWaalsContact O-N 3.15Å; Q28-D31 WeakPolarHBondContact CB-OD2 3.47Å; Q28-D31 PolarHBondContact N-OD2 3.34Å; Q28-D31 VanDerWaalsContact N-OD2 3.09Å; Q28-D31 WeakPolarHBondContact O-CB 3.27Å; Q28-D31 PolarHBondContact O-N 3.02Å; Q28-I32 PolarHBondContact O-N 3.36Å; Q28-Y70 HydrophobicContact CG-CD1 4.17Å; Q28-Y70 HydrophobicContact CG-CE1 3.97Å; Q28-Y70 PolarHBondContact NE2-OH 3.05Å
29L92.8Very high91.7Very high43 Ų4370.2 Ų70.223%0.22535%0.345CS..Hα-helixtrans-52-41177.1179.862.4000112.2D31 I32 E33 K48 L51 Y71L29-D31 PolarHBondContact O-N 2.8Å; L29-I32 PolarHBondContact O-N 3.19Å; L29-E33 HydrophobicContact CD1-CG 4.28Å; L29-E33 HydrophobicContact CG-CG 4.36Å; L29-E33 WeakPolarHBondContact O-CB 3.48Å; L29-E33 VanDerWaalsContact O-CG 3.31Å; L29-E33 WeakPolarHBondContact O-CG 3.24Å; L29-E33 PolarHBondContact O-N 3.27Å; L29-K48 HydrophobicContact CD1-CB 4.46Å; L29-K48 HydrophobicContact CD1-CG 4.38Å; L29-K48 HydrophobicContact CD2-CD 4.41Å; L29-K48 HydrophobicContact CD2-CG 4.47Å; L29-L51 HydrophobicContact CD1-CD2 3.83Å; L29-Y71 HydrophobicContact CB-CE2 4.15Å
30K92.5Very high91.5Very high145 Ų14571.4 Ų71.463%0.6335%0.35SS*.Hα-helixtrans-62.8-29.6179.2-63.7-179.6-178.3176.60113.3Q28 K34Q28-K30 PolarHBondContact O-N 2.76Å; Q28-K30 VanDerWaalsContact O-N 3.15Å; K30-K34 WeakPolarHBondContact O-CG 3.23Å
31D93Very high91.2Very high61 Ų6173.5 Ų73.533%0.32637%0.372SS..Hα-helixtrans-78.6-43.8179.3-54.9-44.1000109.9F27 Q28 L29 E33 K34 I35F27-D31 HydrophobicContact CB-CB 4.3Å; F27-D31 HydrophobicContact CD1-CB 4.09Å; Q28-D31 WeakPolarHBondContact CB-OD2 3.47Å; Q28-D31 PolarHBondContact N-OD2 3.34Å; Q28-D31 VanDerWaalsContact N-OD2 3.09Å; Q28-D31 WeakPolarHBondContact O-CB 3.27Å; Q28-D31 PolarHBondContact O-N 3.02Å; L29-D31 PolarHBondContact O-N 2.8Å; D31-E33 VanDerWaalsContact C-N 3.33Å; D31-E33 PolarHBondContact O-N 3.32Å; D31-K34 PolarHBondContact O-N 3.37Å; D31-K34 VanDerWaalsContact O-N 3.07Å; D31-I35 HydrophobicContact CB-CD1 4.45Å; D31-I35 VanDerWaalsContact O-CG1 3.29Å; D31-I35 WeakPolarHBondContact O-CG1 3.41Å; D31-I35 PolarHBondContact O-N 3.42Å
32I92.1Very high91.2Very high3 Ų369.7 Ų69.72%0.01536%0.355CS..Hα-helixtrans-62.6-41176-59.5178.7000110.7M16 F20 F27 Q28 L29 K34 I35 A36 V47 L51 Y71M16-I32 HydrophobicContact CE-CG2 4.15Å; M16-I32 HydrophobicContact SD-CG2 3.58Å; M16-I32 VanDerWaalsContact SD-CG2 3.58Å; F20-I32 HydrophobicContact CE1-CD1 3.9Å; F20-I32 HydrophobicContact CE2-CD1 4.46Å; F20-I32 HydrophobicContact CZ-CD1 3.45Å; F20-I32 VanDerWaalsContact CZ-CD1 3.45Å; F20-I32 HydrophobicContact CZ-CG1 4.47Å; F27-I32 HydrophobicContact CB-CD1 3.9Å; F27-I32 HydrophobicContact CB-CG1 3.53Å; F27-I32 HydrophobicContact CG-CG1 4.13Å; Q28-I32 PolarHBondContact O-N 3.36Å; L29-I32 PolarHBondContact O-N 3.19Å; I32-K34 PolarHBondContact O-N 3.27Å; I32-K34 VanDerWaalsContact O-N 3.17Å; I32-I35 PolarHBondContact O-N 2.81Å; I32-A36 HydrophobicContact CG2-CB 4.25Å; I32-A36 WeakPolarHBondContact O-CB 3.19Å; I32-A36 PolarHBondContact O-N 2.91Å; I32-V47 HydrophobicContact CG2-CG1 3.71Å; I32-L51 HydrophobicContact CD1-CD1 3.95Å; I32-L51 HydrophobicContact CD1-CD2 3.67Å; I32-L51 HydrophobicContact CD1-CG 4.47Å; I32-Y71 HydrophobicContact CD1-CD2 4.36Å; I32-Y71 HydrophobicContact CD1-CG 4.32Å
33E92.8Very high91.1Very high83 Ų8366 Ų6639%0.38835%0.346SS..Hα-helixtrans-59.4-24.7175.3-77.1176.3166.100113.2L29 D31 P37 V47L29-E33 HydrophobicContact CD1-CG 4.28Å; L29-E33 HydrophobicContact CG-CG 4.36Å; L29-E33 WeakPolarHBondContact O-CB 3.48Å; L29-E33 VanDerWaalsContact O-CG 3.31Å; L29-E33 WeakPolarHBondContact O-CG 3.24Å; L29-E33 PolarHBondContact O-N 3.27Å; D31-E33 VanDerWaalsContact C-N 3.33Å; D31-E33 PolarHBondContact O-N 3.32Å; E33-P37 WeakPolarHBondContact O-CD 3.4Å; E33-P37 VanDerWaalsContact O-CG 3.28Å; E33-P37 WeakPolarHBondContact O-CG 3.48Å; E33-V47 HydrophobicContact CG-CG1 4.1Å
34K92.1Very high91Very high152 Ų15267.6 Ų67.666%0.66136%0.355SS*.Hα-helixtrans-89.8-43.1174.1-67.9173.1-176.5173.40112.5K30 D31 I32 K38K30-K34 WeakPolarHBondContact O-CG 3.23Å; D31-K34 PolarHBondContact O-N 3.37Å; D31-K34 VanDerWaalsContact O-N 3.07Å; I32-K34 PolarHBondContact O-N 3.27Å; I32-K34 VanDerWaalsContact O-N 3.17Å; K34-K38 WeakPolarHBondContact O-CB 3.21Å
35I91.1Very high90.9Very high57 Ų5769.7 Ų69.729%0.29237%0.369SS..Hα-helixtrans-74.4-44.6-173.5-63.9164.8000110.6I19 F27 D31 I32 K38 S39I19-I35 HydrophobicContact CD1-CG2 4.34Å; I19-I35 HydrophobicContact CG2-CG2 3.79Å; F27-I35 HydrophobicContact CD1-CD1 3.84Å; F27-I35 HydrophobicContact CE1-CD1 3.55Å; F27-I35 HydrophobicContact CZ-CD1 4.36Å; D31-I35 HydrophobicContact CB-CD1 4.45Å; D31-I35 VanDerWaalsContact O-CG1 3.29Å; D31-I35 WeakPolarHBondContact O-CG1 3.41Å; D31-I35 PolarHBondContact O-N 3.42Å; I32-I35 PolarHBondContact O-N 2.81Å; I35-K38 PolarHBondContact O-N 3.15Å; I35-S39 WeakPolarHBondContact O-CB 3.43Å; I35-S39 PolarHBondContact O-N 3.43Å; I35-S39 PolarHBondContact O-OG 2.84Å
36A90.6Very high90.9Very high0 Ų066.6 Ų66.60%035%0.354CS..Hα-helixtrans-63.2-42.1-172.600000114.3M16 I19 I32 K40 G41 I42 V47M16-A36 HydrophobicContact CE-CB 3.88Å; M16-A36 HydrophobicContact SD-CB 3.9Å; I19-A36 HydrophobicContact CD1-CB 3.86Å; I32-A36 HydrophobicContact CG2-CB 4.25Å; I32-A36 WeakPolarHBondContact O-CB 3.19Å; I32-A36 PolarHBondContact O-N 2.91Å; A36-K40 PolarHBondContact O-N 2.88Å; A36-G41 PolarHBondContact O-N 3.47Å; A36-I42 HydrophobicContact CB-CB 4.29Å; A36-I42 HydrophobicContact CB-CD1 4.24Å; A36-I42 PolarHBondContact O-N 3.11Å; A36-V47 HydrophobicContact CB-CG1 4.25Å; A36-V47 HydrophobicContact CB-CG2 3.89Å
37P91.3Very high90.8Very high35 Ų3563.6 Ų63.623%0.22734%0.336CS..Hα-helixtrans-69.6-39.1173.1-20.234.3000112.9E33 G41 I42 P44 V47E33-P37 WeakPolarHBondContact O-CD 3.4Å; E33-P37 VanDerWaalsContact O-CG 3.28Å; E33-P37 WeakPolarHBondContact O-CG 3.48Å; P37-G41 WeakPolarHBondContact O-CA 3.21Å; P37-G41 PolarHBondContact O-N 2.59Å; P37-I42 WeakPolarHBondContact CA-O 3.43Å; P37-I42 WeakPolarHBondContact CB-O 3.49Å; P37-I42 WeakPolarHBondContact CG-O 3.27Å; P37-P44 HydrophobicContact CB-CG 4.04Å; P37-P44 HydrophobicContact CG-CB 4.22Å; P37-P44 HydrophobicContact CG-CG 3.86Å; P37-V47 HydrophobicContact CG-CG2 4.16Å
38K89.6Confident90.8Very high194 Ų19469 Ų6984%0.84336%0.359SS*.Hα-helixtrans-74.3-41.5-174-171.8177.5-179.9-177.50113.3K34 I35K34-K38 WeakPolarHBondContact O-CB 3.21Å; I35-K38 PolarHBondContact O-N 3.15Å
39S87.6Confident90.7Very high67 Ų6772.3 Ų72.347%0.46938%0.375SS..Hα-helixtrans-91.9-39.6-173.860.70000113.1I35I35-S39 WeakPolarHBondContact O-CB 3.43Å; I35-S39 PolarHBondContact O-N 3.43Å; I35-S39 PolarHBondContact O-OG 2.84Å
40K88.3Confident90.8Very high34 Ų3470.4 Ų70.415%0.14837%0.365CS..Hα-helixtrans-120.9-0.3-170.5-59.9-67.6-176.8170.30114.3R15 E18 I19 E22 A36 I42R15-K40 HydrophobicContact CB-CB 4Å; R15-K40 HydrophobicContact CB-CG 4.37Å; R15-K40 WeakPolarHBondContact CD-O 3.37Å; R15-K40 PolarHBondContact NH1-O 3.31Å; E18-K40 WeakPolarHBondContact OE2-CE 3.22Å; E18-K40 IonicContact OE2-NZ 2.84Å; E18-K40 PolarHBondContact OE2-NZ 3.18Å; I19-K40 HydrophobicContact CD1-CB 4.42Å; I19-K40 HydrophobicContact CD1-CG 3.85Å; I19-K40 HydrophobicContact CG1-CG 3.64Å; E22-K40 VanDerWaalsContact CD-NZ 3.35Å; E22-K40 IonicContact OE1-NZ 3.11Å; E22-K40 PolarHBondContact OE1-NZ 3.45Å; E22-K40 IonicContact OE2-NZ 2.77Å; E22-K40 PolarHBondContact OE2-NZ 3.43Å; E22-K40 VanDerWaalsContact OE2-NZ 3.11Å; A36-K40 PolarHBondContact O-N 2.88Å; K40-I42 VanDerWaalsContact C-N 3.33Å; K40-I42 HydrophobicContact CB-CG1 4.4Å; K40-I42 PolarHBondContact O-N 2.83Å
41G86.1Confident90.9Very high46 Ų4663.6 Ų63.647%0.47434%0.335SS..  trans71.723.5174.400000114.4L7 A36 P37L7-G41 WeakPolarHBondContact CD1-O 3.47Å; A36-G41 PolarHBondContact O-N 3.47Å; P37-G41 WeakPolarHBondContact O-CA 3.21Å; P37-G41 PolarHBondContact O-N 2.59Å
42I89.3Confident90.9Very high1 Ų164.6 Ų64.61%0.00534%0.338CS..  trans-73.9130.1176.1-58.9179000108.6K12 R15 M16 A36 P37 K40 V47K12-I42 HydrophobicContact CB-CD1 4.47Å; K12-I42 HydrophobicContact CD-CG2 4.34Å; K12-I42 HydrophobicContact CG-CG2 4.34Å; K12-I42 WeakPolarHBondContact O-CD1 3.47Å; R15-I42 HydrophobicContact CB-CD1 4.25Å; M16-I42 HydrophobicContact CB-CD1 4.01Å; M16-I42 HydrophobicContact CE-CD1 3.74Å; M16-I42 HydrophobicContact CE-CG2 4.5Å; M16-I42 HydrophobicContact SD-CD1 4.27Å; A36-I42 HydrophobicContact CB-CB 4.29Å; A36-I42 HydrophobicContact CB-CD1 4.24Å; A36-I42 PolarHBondContact O-N 3.11Å; P37-I42 WeakPolarHBondContact CA-O 3.43Å; P37-I42 WeakPolarHBondContact CB-O 3.49Å; P37-I42 WeakPolarHBondContact CG-O 3.27Å; K40-I42 VanDerWaalsContact C-N 3.33Å; K40-I42 HydrophobicContact CB-CG1 4.4Å; K40-I42 PolarHBondContact O-N 2.83Å; I42-V47 HydrophobicContact CB-CG2 4.4Å; I42-V47 HydrophobicContact CG2-CG2 3.86Å
43A89.2Confident91.1Very high47 Ų4765.5 Ų65.539%0.38835%0.345SS..  trans-60.6129.6-179.600000110.4M45 T46 V47A43-M45 VanDerWaalsContact C-N 3.28Å; A43-M45 PolarHBondContact O-N 2.87Å; A43-M45 VanDerWaalsContact O-N 3.16Å; A43-T46 HydrophobicContact CB-CG2 4.46Å; A43-T46 PolarHBondContact O-N 3.32Å; A43-T46 PolarHBondContact O-OG1 2.8Å; A43-V47 PolarHBondContact O-N 3.07Å
44P87.9Confident91.1Very high88 Ų8861.6 Ų61.657%0.57133%0.326SS*.G310 helixtrans-51.9-42.8-173-28.232.6000113.9P37 T46 V47P37-P44 HydrophobicContact CB-CG 4.04Å; P37-P44 HydrophobicContact CG-CB 4.22Å; P37-P44 HydrophobicContact CG-CG 3.86Å; P44-T46 PolarHBondContact O-N 3.04Å; P44-T46 VanDerWaalsContact O-N 3.13Å; P44-V47 PolarHBondContact O-N 3.2Å
45M88.2Confident91.2Very high179 Ų17955.5 Ų55.588%0.88230%0.302SS*.G310 helixtrans-63.1-20.4179.5-61.8-62-71.500113.9A43A43-M45 VanDerWaalsContact C-N 3.28Å; A43-M45 PolarHBondContact O-N 2.87Å; A43-M45 VanDerWaalsContact O-N 3.16Å
46T91Very high91.3Very high28 Ų2857.7 Ų57.717%0.17231%0.314CS..G310 helixtrans-102-6.2-17762.30000113.6K12 A43 P44 K48 E49 V50K12-T46 PolarHBondContact NZ-OG1 3.33Å; K12-T46 VanDerWaalsContact NZ-OG1 3.17Å; A43-T46 HydrophobicContact CB-CG2 4.46Å; A43-T46 PolarHBondContact O-N 3.32Å; A43-T46 PolarHBondContact O-OG1 2.8Å; P44-T46 PolarHBondContact O-N 3.04Å; P44-T46 VanDerWaalsContact O-N 3.13Å; T46-K48 PolarHBondContact O-N 3.5Å; T46-E49 PolarHBondContact O-N 3.33Å; T46-V50 WeakPolarHBondContact O-CB 3.27Å; T46-V50 WeakPolarHBondContact O-CG2 3.43Å; T46-V50 PolarHBondContact O-N 3.5Å
47V92.7Very high91.4Very high0 Ų062.1 Ų62.10%034%0.338CS..Hα-helixtrans-60.8-47.6-176.3168.80000111.5M16 I32 E33 A36 P37 I42 A43 P44 E49 V50 L51M16-V47 HydrophobicContact CE-CB 4.38Å; M16-V47 HydrophobicContact CE-CG1 3.85Å; I32-V47 HydrophobicContact CG2-CG1 3.71Å; E33-V47 HydrophobicContact CG-CG1 4.1Å; A36-V47 HydrophobicContact CB-CG1 4.25Å; A36-V47 HydrophobicContact CB-CG2 3.89Å; P37-V47 HydrophobicContact CG-CG2 4.16Å; I42-V47 HydrophobicContact CB-CG2 4.4Å; I42-V47 HydrophobicContact CG2-CG2 3.86Å; A43-V47 PolarHBondContact O-N 3.07Å; P44-V47 PolarHBondContact O-N 3.2Å; V47-E49 PolarHBondContact O-N 3.46Å; V47-V50 PolarHBondContact O-N 3.16Å; V47-L51 VanDerWaalsContact O-CB 3.3Å; V47-L51 WeakPolarHBondContact O-CB 3.49Å; V47-L51 PolarHBondContact O-N 3.43Å
48K93.2Very high91.3Very high131 Ų13166.5 Ų66.557%0.5736%0.359SS*.Hα-helixtrans-62.5-43.8-179-174.4-179.5178.2-176.30112.5L29 T46 L51 Q52L29-K48 HydrophobicContact CD1-CB 4.46Å; L29-K48 HydrophobicContact CD1-CG 4.38Å; L29-K48 HydrophobicContact CD2-CD 4.41Å; L29-K48 HydrophobicContact CD2-CG 4.47Å; T46-K48 PolarHBondContact O-N 3.5Å; K48-L51 PolarHBondContact O-N 3.19Å; K48-Q52 WeakPolarHBondContact O-CB 3.47Å; K48-Q52 PolarHBondContact O-N 2.74Å
49E94.3Very high91.3Very high125 Ų12560.8 Ų60.858%0.58434%0.337SS*.Hα-helixtrans-65.4-45.5179.1-174.3-17417800111.5T46 V47 L51 Q52 S53T46-E49 PolarHBondContact O-N 3.33Å; V47-E49 PolarHBondContact O-N 3.46Å; E49-L51 PolarHBondContact O-N 3.35Å; E49-Q52 PolarHBondContact O-N 2.78Å; E49-S53 PolarHBondContact O-N 3.48Å
50V94.1Very high91.5Very high2 Ų257.7 Ų57.71%0.01232%0.315CS..Hα-helixtrans-62.8-44.8177.3171.90000110.7K12 R13 M16 T46 V47 S53 L54K12-V50 HydrophobicContact CB-CG1 4.09Å; K12-V50 HydrophobicContact CB-CG2 3.79Å; K12-V50 HydrophobicContact CD-CG2 3.93Å; R13-V50 HydrophobicContact CG-CG1 4.03Å; M16-V50 HydrophobicContact CB-CG1 4.08Å; M16-V50 HydrophobicContact CE-CB 4.29Å; M16-V50 HydrophobicContact CE-CG1 4.04Å; M16-V50 HydrophobicContact CG-CG1 4.42Å; T46-V50 WeakPolarHBondContact O-CB 3.27Å; T46-V50 WeakPolarHBondContact O-CG2 3.43Å; T46-V50 PolarHBondContact O-N 3.5Å; V47-V50 PolarHBondContact O-N 3.16Å; V50-S53 PolarHBondContact O-N 3Å; V50-S53 PolarHBondContact O-OG 3.16Å; V50-L54 WeakPolarHBondContact O-CG 3.37Å; V50-L54 PolarHBondContact O-N 2.97Å
51L94.2Very high91.7Very high2 Ų257.9 Ų57.91%0.0132%0.317CS..Hα-helixtrans-60.7-46.3176.8179.663.1000111.4F20 L29 I32 V47 K48 E49 S53 L54 V55 V60 Y71F20-L51 HydrophobicContact CE2-CD1 3.96Å; F20-L51 HydrophobicContact CZ-CD1 3.71Å; L29-L51 HydrophobicContact CD1-CD2 3.83Å; I32-L51 HydrophobicContact CD1-CD1 3.95Å; I32-L51 HydrophobicContact CD1-CD2 3.67Å; I32-L51 HydrophobicContact CD1-CG 4.47Å; V47-L51 VanDerWaalsContact O-CB 3.3Å; V47-L51 WeakPolarHBondContact O-CB 3.49Å; V47-L51 PolarHBondContact O-N 3.43Å; K48-L51 PolarHBondContact O-N 3.19Å; E49-L51 PolarHBondContact O-N 3.35Å; L51-S53 VanDerWaalsContact C-N 3.33Å; L51-S53 PolarHBondContact O-N 3.27Å; L51-L54 WeakPolarHBondContact O-CB 3.43Å; L51-L54 PolarHBondContact O-N 2.87Å; L51-L54 VanDerWaalsContact O-N 3.16Å; L51-V55 WeakPolarHBondContact O-CG2 3.34Å; L51-V55 PolarHBondContact O-N 2.84Å; L51-V55 VanDerWaalsContact O-N 3.07Å; L51-V60 HydrophobicContact CD1-CG1 4.07Å; L51-Y71 HydrophobicContact CD1-CD1 4.11Å; L51-Y71 HydrophobicContact CD1-CG 4.35Å; L51-Y71 HydrophobicContact CD2-CD1 3.94Å; L51-Y71 HydrophobicContact CD2-CD2 4.03Å; L51-Y71 HydrophobicContact CD2-CE1 3.98Å; L51-Y71 HydrophobicContact CD2-CE2 4.09Å; L51-Y71 HydrophobicContact CD2-CG 3.96Å; L51-Y71 HydrophobicContact CG-CD1 4.11Å; L51-Y71 HydrophobicContact CG-CE1 4.24Å
52Q94.1Very high92.1Very high82 Ų8258.1 Ų58.138%0.38331%0.312SS..Hα-helixtrans-60.7-43.8178.2-170.261.354.400111.2K48 E49 L54 V55 D56K48-Q52 WeakPolarHBondContact O-CB 3.47Å; K48-Q52 PolarHBondContact O-N 2.74Å; E49-Q52 PolarHBondContact O-N 2.78Å; Q52-L54 PolarHBondContact O-N 2.98Å; Q52-V55 WeakPolarHBondContact O-CB 3.44Å; Q52-V55 PolarHBondContact O-N 2.95Å; Q52-D56 PolarHBondContact NE2-OD1 3.15Å; Q52-D56 PolarHBondContact O-N 2.97Å
53S95.4Very high92.4Very high23 Ų2363.2 Ų63.216%0.16134%0.335CS..Hα-helixtrans-60.1-31.7177.980.20000113.3R13 E49 V50 L51 D57R13-S53 VanDerWaalsContact NH1-C 3.31Å; R13-S53 VanDerWaalsContact NH1-CB 3.28Å; R13-S53 PolarHBondContact NH1-O 3.47Å; R13-S53 PolarHBondContact NH1-OG 3.06Å; E49-S53 PolarHBondContact O-N 3.48Å; V50-S53 PolarHBondContact O-N 3Å; V50-S53 PolarHBondContact O-OG 3.16Å; L51-S53 VanDerWaalsContact C-N 3.33Å; L51-S53 PolarHBondContact O-N 3.27Å; S53-D57 PolarHBondContact O-N 2.89Å
54L93.3Very high92.7Very high0 Ų068.9 Ų68.90%035%0.347CS..Hα-helixtrans-76.3-32.9176-70.8173.1000112.7R13 M16 M17 V50 L51 Q52 N58 M59 V60R13-L54 HydrophobicContact CB-CD2 3.94Å; R13-L54 HydrophobicContact CB-CG 4.47Å; R13-L54 HydrophobicContact CG-CD2 4.07Å; R13-L54 HydrophobicContact CG-CG 4.25Å; M16-L54 HydrophobicContact CB-CD1 3.77Å; M16-L54 HydrophobicContact CG-CD1 3.71Å; M17-L54 HydrophobicContact CG-CD1 4.04Å; M17-L54 HydrophobicContact CG-CD2 3.9Å; M17-L54 HydrophobicContact SD-CD1 4.13Å; M17-L54 HydrophobicContact SD-CD2 4.13Å; V50-L54 WeakPolarHBondContact O-CG 3.37Å; V50-L54 PolarHBondContact O-N 2.97Å; L51-L54 WeakPolarHBondContact O-CB 3.43Å; L51-L54 PolarHBondContact O-N 2.87Å; L51-L54 VanDerWaalsContact O-N 3.16Å; Q52-L54 PolarHBondContact O-N 2.98Å; L54-N58 PolarHBondContact O-N 2.94Å; L54-M59 HydrophobicContact CB-CB 4.46Å; L54-M59 HydrophobicContact CD2-CB 4.13Å; L54-M59 HydrophobicContact CD2-CE 3.52Å; L54-M59 HydrophobicContact CD2-SD 3.87Å; L54-M59 WeakPolarHBondContact O-CB 3.26Å; L54-M59 PolarHBondContact O-N 2.99Å; L54-V60 HydrophobicContact CB-CB 4.17Å; L54-V60 HydrophobicContact CB-CG2 3.74Å; L54-V60 HydrophobicContact CD1-CG2 4.1Å; L54-V60 PolarHBondContact O-N 3.29Å; L54-V60 VanDerWaalsContact O-N 3.14Å
55V94.4Very high93Very high24 Ų2469.4 Ų69.415%0.14534%0.343CS..Hα-helixtrans-68.6-44.71741720000110.3L51 Q52 D57 N58 V60 C62 Y71L51-V55 WeakPolarHBondContact O-CG2 3.34Å; L51-V55 PolarHBondContact O-N 2.84Å; L51-V55 VanDerWaalsContact O-N 3.07Å; Q52-V55 WeakPolarHBondContact O-CB 3.44Å; Q52-V55 PolarHBondContact O-N 2.95Å; V55-D57 PolarHBondContact O-N 3.12Å; V55-N58 WeakPolarHBondContact O-CA 3.32Å; V55-N58 PolarHBondContact O-N 3.3Å; V55-V60 WeakPolarHBondContact CA-O 3.39Å; V55-V60 HydrophobicContact CG2-CB 4.04Å; V55-V60 HydrophobicContact CG2-CG1 4.02Å; V55-C62 HydrophobicContact CG1-CB 3.77Å; V55-C62 HydrophobicContact CG2-CB 4.05Å; V55-Y71 HydrophobicContact CG2-CD1 3.89Å; V55-Y71 HydrophobicContact CG2-CE1 3.97Å
56D93.7Very high93.3Very high103 Ų10363.9 Ų63.955%0.55133%0.333SS*.Hα-helixtrans-60.4-36179.6-61.7-19.3000111.5Q52 N58Q52-D56 PolarHBondContact NE2-OD1 3.15Å; Q52-D56 PolarHBondContact O-N 2.97Å; D56-N58 VanDerWaalsContact C-N 3.26Å; D56-N58 PolarHBondContact O-N 2.96Å
57D91.8Very high93.3Very high93 Ų9368.6 Ų68.650%0.49736%0.362SS..THydrogen-bonded Turntrans-85.310.2175.6-67.3-36.7000114R13 S53 V55 M59R13-D57 IonicContact CZ-OD2 3.76Å; R13-D57 IonicContact NH1-OD2 3.56Å; R13-D57 PolarHBondContact NH1-OD2 3.03Å; R13-D57 IonicContact NH2-OD2 2.9Å; R13-D57 PolarHBondContact NH2-OD2 2.82Å; S53-D57 PolarHBondContact O-N 2.89Å; V55-D57 PolarHBondContact O-N 3.12Å; D57-M59 HydrophobicContact CB-CG 4.32Å; D57-M59 PolarHBondContact O-N 2.94Å; D57-M59 VanDerWaalsContact O-N 3.11Å
58N88.7Confident93.4Very high127 Ų12770.3 Ų70.368%0.67937%0.374SS*.THydrogen-bonded Turntrans56.521.6-178.2-64-72000115L54 V55 D56L54-N58 PolarHBondContact O-N 2.94Å; V55-N58 WeakPolarHBondContact O-CA 3.32Å; V55-N58 PolarHBondContact O-N 3.3Å; D56-N58 VanDerWaalsContact C-N 3.26Å; D56-N58 PolarHBondContact O-N 2.96Å
59M89.3Confident93.4Very high75 Ų7567 Ų6737%0.36936%0.362SS..SBendtrans-81.2-32.4176.1-69.1-179.248.600112.1M17 L54 D57 A73M17-M59 HydrophobicContact CE-CB 4.28Å; M17-M59 HydrophobicContact CE-CE 4.13Å; M17-M59 HydrophobicContact CG-CE 3.52Å; M17-M59 HydrophobicContact SD-CB 3.97Å; M17-M59 HydrophobicContact SD-CE 3.85Å; L54-M59 HydrophobicContact CB-CB 4.46Å; L54-M59 HydrophobicContact CD2-CB 4.13Å; L54-M59 HydrophobicContact CD2-CE 3.52Å; L54-M59 HydrophobicContact CD2-SD 3.87Å; L54-M59 WeakPolarHBondContact O-CB 3.26Å; L54-M59 PolarHBondContact O-N 2.99Å; D57-M59 HydrophobicContact CB-CG 4.32Å; D57-M59 PolarHBondContact O-N 2.94Å; D57-M59 VanDerWaalsContact O-N 3.11Å; M59-A73 WeakPolarHBondContact O-CB 3.48Å
60V93Very high93.5Very high2 Ų264.3 Ų64.31%0.01235%0.347CS..SBendtrans-116.9131.4172.9174.30000108.4M17 F20 L51 L54 V55 Y71 A73M17-V60 HydrophobicContact SD-CG2 3.6Å; M17-V60 VanDerWaalsContact SD-CG2 3.6Å; F20-V60 HydrophobicContact CD2-CG2 3.89Å; F20-V60 HydrophobicContact CE1-CG1 4.28Å; F20-V60 HydrophobicContact CE2-CG1 4.1Å; F20-V60 HydrophobicContact CE2-CG2 3.64Å; F20-V60 HydrophobicContact CZ-CG1 3.82Å; F20-V60 HydrophobicContact CZ-CG2 4.23Å; L51-V60 HydrophobicContact CD1-CG1 4.07Å; L54-V60 HydrophobicContact CB-CB 4.17Å; L54-V60 HydrophobicContact CB-CG2 3.74Å; L54-V60 HydrophobicContact CD1-CG2 4.1Å; L54-V60 PolarHBondContact O-N 3.29Å; L54-V60 VanDerWaalsContact O-N 3.14Å; V55-V60 WeakPolarHBondContact CA-O 3.39Å; V55-V60 HydrophobicContact CG2-CB 4.04Å; V55-V60 HydrophobicContact CG2-CG1 4.02Å; V60-Y71 HydrophobicContact CG1-CD1 4.35Å; V60-A73 HydrophobicContact CG2-CB 4.22Å
61D92.8Very high93.6Very high37 Ų3764.9 Ų64.920%0.19835%0.349CS..EExtended strand (participates in β ladder)trans-76.4143170.8-72.6-60.5000110.5Y71 W72 K77D61-Y71 VanDerWaalsContact O-CA 3.26Å; D61-Y71 WeakPolarHBondContact O-CA 3.47Å; D61-W72 HydrophobicContact CB-CD2 3.73Å; D61-W72 HydrophobicContact CB-CE3 4.24Å; D61-W72 HydrophobicContact CB-CG 4.19Å; D61-W72 HydrophobicContact CB-CH2 4.15Å; D61-W72 HydrophobicContact CB-CZ2 3.58Å; D61-W72 HydrophobicContact CB-CZ3 4.43Å; D61-W72 PolarHBondContact N-O 3.14Å; D61-W72 PolarHBondContact O-N 2.68Å; D61-W72 VanDerWaalsContact O-N 3.12Å; D61-W72 PolarHBondContact OD2-NE1 2.56Å; D61-K77 WeakPolarHBondContact OD1-CE 3.36Å; D61-K77 IonicContact OD1-NZ 3.19Å; D61-K77 PolarHBondContact OD1-NZ 2.77Å; D61-K77 WeakPolarHBondContact OD2-CD 3.33Å; D61-K77 WeakPolarHBondContact OD2-CE 3.44Å; D61-K77 IonicContact OD2-NZ 2.86Å; D61-K77 PolarHBondContact OD2-NZ 3Å
62C94.3Very high93.6Very high52 Ų5267 Ų6735%0.35136%0.357SS..EExtended strand (participates in β ladder)trans-130.6124.7170.6175.50000108.5V55 Y70 Y71V55-C62 HydrophobicContact CG1-CB 3.77Å; V55-C62 HydrophobicContact CG2-CB 4.05Å; C62-Y70 VanDerWaalsContact CA-O 3.32Å; C62-Y70 WeakPolarHBondContact CA-O 3.38Å; C62-Y71 HydrophobicContact CB-CD1 3.78Å; C62-Y71 HydrophobicContact CB-CE1 3.69Å; C62-Y71 WeakPolarHBondContact SG-CE1 3.09Å
63E95.6Very high93.6Very high108 Ų10863.1 Ų63.151%0.50534%0.339SS..EExtended strand (participates in β ladder)trans-130.5139.1171.8-174.5166.7-15900110.7I65 Y70 W72E63-I65 HydrophobicContact CG-CG1 4.26Å; E63-Y70 PolarHBondContact N-O 2.87Å; E63-Y70 PolarHBondContact O-N 3.03Å; E63-W72 HydrophobicContact CB-CH2 3.4Å; E63-W72 VanDerWaalsContact CB-CH2 3.4Å; E63-W72 HydrophobicContact CB-CZ3 3.64Å; E63-W72 HydrophobicContact CG-CH2 4.49Å; E63-W72 WeakPolarHBondContact OE2-CH2 3.48Å
64R94.9Very high93.3Very high166 Ų16665.5 Ų65.563%0.62635%0.347SS*.EExtended strand (participates in β ladder)trans-91.7115.3176.8-175.4177.8179.2125.2-3.6109.2G66 S68 N69R64-G66 PolarHBondContact NE-O 3.44Å; R64-S68 WeakPolarHBondContact CA-O 3.46Å; R64-N69 WeakPolarHBondContact CB-OD1 3.42Å; R64-N69 WeakPolarHBondContact CG-OD1 3.48Å
65I94.8Very high93Very high98 Ų9868.9 Ų68.950%0.50337%0.369SS..EExtended strand (participates in β ladder)trans-115.7109.3175.4-53.1173.5000107.4E63 T67 S68 Y70E63-I65 HydrophobicContact CG-CG1 4.26Å; I65-T67 PolarHBondContact O-N 2.86Å; I65-S68 PolarHBondContact N-O 3.32Å; I65-S68 PolarHBondContact O-N 2.64Å; I65-Y70 HydrophobicContact CB-CD2 3.8Å; I65-Y70 HydrophobicContact CB-CE2 3.7Å; I65-Y70 HydrophobicContact CD1-CD2 3.95Å; I65-Y70 HydrophobicContact CD1-CE2 4.37Å; I65-Y70 HydrophobicContact CD1-CG 4.38Å; I65-Y70 HydrophobicContact CG1-CD2 3.97Å; I65-Y70 HydrophobicContact CG1-CE2 4.35Å
66G93.9Very high92.7Very high64 Ų6470.7 Ų70.766%0.6638%0.383SS*.THydrogen-bonded Turntrans64.3-120.7-172.900000112.7R64R64-G66 PolarHBondContact NE-O 3.44Å
67T91.9Very high92.3Very high127 Ų12769.3 Ų69.378%0.77937%0.372SS*.THydrogen-bonded Turntrans-91.4-5179.954.80000113.8I65I65-T67 PolarHBondContact O-N 2.86Å
68S93Very high92Very high36 Ų3667.9 Ų67.925%0.25237%0.373SS..EExtended strand (participates in β ladder)trans-118.9144.9-170-61.90000111.8R64 I65R64-S68 WeakPolarHBondContact CA-O 3.46Å; I65-S68 PolarHBondContact N-O 3.32Å; I65-S68 PolarHBondContact O-N 2.64Å
69N94.9Very high92Very high62 Ų6266.2 Ų66.233%0.33236%0.363SS..EExtended strand (participates in β ladder)trans-94.9134.8170.4-64.6-28.1000109.5R64 Y71R64-N69 WeakPolarHBondContact CB-OD1 3.42Å; R64-N69 WeakPolarHBondContact CG-OD1 3.48Å; N69-Y71 HydrophobicContact CB-CE2 3.85Å
70Y96.1Very high92.1Very high67 Ų6768 Ų6826%0.26337%0.371SS..EExtended strand (participates in β ladder)trans-113.6135.8178.2-68.7-94.4000109.1V26 Q28 C62 E63 I65 W72V26-Y70 HydrophobicContact CG1-CD1 3.94Å; V26-Y70 HydrophobicContact CG1-CG 4.35Å; Q28-Y70 HydrophobicContact CG-CD1 4.17Å; Q28-Y70 HydrophobicContact CG-CE1 3.97Å; Q28-Y70 PolarHBondContact NE2-OH 3.05Å; C62-Y70 VanDerWaalsContact CA-O 3.32Å; C62-Y70 WeakPolarHBondContact CA-O 3.38Å; E63-Y70 PolarHBondContact N-O 2.87Å; E63-Y70 PolarHBondContact O-N 3.03Å; I65-Y70 HydrophobicContact CB-CD2 3.8Å; I65-Y70 HydrophobicContact CB-CE2 3.7Å; I65-Y70 HydrophobicContact CD1-CD2 3.95Å; I65-Y70 HydrophobicContact CD1-CE2 4.37Å; I65-Y70 HydrophobicContact CD1-CG 4.38Å; I65-Y70 HydrophobicContact CG1-CD2 3.97Å; I65-Y70 HydrophobicContact CG1-CE2 4.35Å; Y70-W72 WeakPolarHBondContact O-CZ3 3.2Å
71Y95.5Very high91.9Very high14 Ų1470.8 Ų70.86%0.05539%0.393CS..EExtended strand (participates in β ladder)trans-122.3133.8-175.9-58.4-88.4000110.2F27 L29 I32 L51 V55 V60 D61 C62 N69F27-Y71 PolarHBondContact N-O 2.95Å; F27-Y71 PolarHBondContact O-N 3.36Å; L29-Y71 HydrophobicContact CB-CE2 4.15Å; I32-Y71 HydrophobicContact CD1-CD2 4.36Å; I32-Y71 HydrophobicContact CD1-CG 4.32Å; L51-Y71 HydrophobicContact CD1-CD1 4.11Å; L51-Y71 HydrophobicContact CD1-CG 4.35Å; L51-Y71 HydrophobicContact CD2-CD1 3.94Å; L51-Y71 HydrophobicContact CD2-CD2 4.03Å; L51-Y71 HydrophobicContact CD2-CE1 3.98Å; L51-Y71 HydrophobicContact CD2-CE2 4.09Å; L51-Y71 HydrophobicContact CD2-CG 3.96Å; L51-Y71 HydrophobicContact CG-CD1 4.11Å; L51-Y71 HydrophobicContact CG-CE1 4.24Å; V55-Y71 HydrophobicContact CG2-CD1 3.89Å; V55-Y71 HydrophobicContact CG2-CE1 3.97Å; V60-Y71 HydrophobicContact CG1-CD1 4.35Å; D61-Y71 VanDerWaalsContact O-CA 3.26Å; D61-Y71 WeakPolarHBondContact O-CA 3.47Å; C62-Y71 HydrophobicContact CB-CD1 3.78Å; C62-Y71 HydrophobicContact CB-CE1 3.69Å; C62-Y71 WeakPolarHBondContact SG-CE1 3.09Å; N69-Y71 HydrophobicContact CB-CE2 3.85Å
72W94.6Very high91.9Very high46 Ų4678.4 Ų78.417%0.17442%0.42CS..EExtended strand (participates in β ladder)trans-153.2158.4176.267.492.1000111.6V26 D61 E63 Y70 F74V26-W72 HydrophobicContact CB-CB 4.42Å; V26-W72 HydrophobicContact CG1-CB 4.37Å; V26-W72 HydrophobicContact CG1-CE3 4.08Å; V26-W72 HydrophobicContact CG2-CB 4.01Å; V26-W72 HydrophobicContact CG2-CG 4.45Å; D61-W72 HydrophobicContact CB-CD2 3.73Å; D61-W72 HydrophobicContact CB-CE3 4.24Å; D61-W72 HydrophobicContact CB-CG 4.19Å; D61-W72 HydrophobicContact CB-CH2 4.15Å; D61-W72 HydrophobicContact CB-CZ2 3.58Å; D61-W72 HydrophobicContact CB-CZ3 4.43Å; D61-W72 PolarHBondContact N-O 3.14Å; D61-W72 PolarHBondContact O-N 2.68Å; D61-W72 VanDerWaalsContact O-N 3.12Å; D61-W72 PolarHBondContact OD2-NE1 2.56Å; E63-W72 HydrophobicContact CB-CH2 3.4Å; E63-W72 VanDerWaalsContact CB-CH2 3.4Å; E63-W72 HydrophobicContact CB-CZ3 3.64Å; E63-W72 HydrophobicContact CG-CH2 4.49Å; E63-W72 WeakPolarHBondContact OE2-CH2 3.48Å; Y70-W72 WeakPolarHBondContact O-CZ3 3.2Å; W72-F74 HydrophobicContact CB-CE2 4.36Å; W72-F74 AromaticContact CD1-CD2 3.61Å; W72-F74 AromaticContact CD1-CE2 3.39Å; W72-F74 HydrophobicContact CG-CE2 4.08Å
73A92.8Very high92Very high2 Ų281.4 Ų81.42%0.01743%0.427CS..  trans-149.412816800000109.6M17 F20 F21 M59 V60M17-A73 HydrophobicContact CE-CB 4.13Å; F20-A73 HydrophobicContact CB-CB 3.76Å; F20-A73 HydrophobicContact CG-CB 4.12Å; F21-A73 HydrophobicContact CD1-CB 4.29Å; F21-A73 HydrophobicContact CE1-CB 3.84Å; M59-A73 WeakPolarHBondContact O-CB 3.48Å; V60-A73 HydrophobicContact CG2-CB 4.22Å
74F90.7Very high92Very high72 Ų7282.3 Ų82.332%0.31643%0.43SS..  trans-111.6135.8178.2-64.5-69.6000111K24 W72 S76 K77K24-F74 HydrophobicContact CB-CD1 4.29Å; K24-F74 HydrophobicContact CB-CE1 4.16Å; K24-F74 WeakPolarHBondContact O-CE1 3.22Å; W72-F74 HydrophobicContact CB-CE2 4.36Å; W72-F74 AromaticContact CD1-CD2 3.61Å; W72-F74 AromaticContact CD1-CE2 3.39Å; W72-F74 HydrophobicContact CG-CE2 4.08Å; F74-S76 PolarHBondContact O-N 3.07Å; F74-S76 VanDerWaalsContact O-N 3.09Å; F74-K77 WeakPolarHBondContact O-CB 3.39Å; F74-K77 PolarHBondContact O-N 3.09Å; F74-K77 VanDerWaalsContact O-N 3.07Å
75P86.4Confident92Very high71 Ų7179 Ų7946%0.46142%0.421SS..THydrogen-bonded Turntrans-56.2-29.9177.6-25.432.8000113.6F21F21-P75 HydrophobicContact CB-CG 4.02Å; F21-P75 HydrophobicContact CD1-CG 3.86Å; F21-P75 HydrophobicContact CD2-CG 4.35Å; F21-P75 HydrophobicContact CE1-CG 4.37Å; F21-P75 HydrophobicContact CG-CG 3.83Å
76S87.6Confident92.1Very high62 Ų6279 Ų7943%0.43442%0.421SS..THydrogen-bonded Turntrans-76.5-19.3-177.760.30000113.7F74 A78 L79 H80F74-S76 PolarHBondContact O-N 3.07Å; F74-S76 VanDerWaalsContact O-N 3.09Å; S76-A78 PolarHBondContact O-N 3.24Å; S76-L79 PolarHBondContact O-N 3.11Å; S76-H80 PolarHBondContact O-N 3.4Å; S76-H80 PolarHBondContact O-ND1 3.44Å
77K86.1Confident92.3Very high75 Ų7581.5 Ų81.533%0.32642%0.416SS..Hα-helixtrans-59.9-49.8-172-176.9-169.4176.5-164.90112.5D61 F74 L79 H80 A81D61-K77 WeakPolarHBondContact OD1-CE 3.36Å; D61-K77 IonicContact OD1-NZ 3.19Å; D61-K77 PolarHBondContact OD1-NZ 2.77Å; D61-K77 WeakPolarHBondContact OD2-CD 3.33Å; D61-K77 WeakPolarHBondContact OD2-CE 3.44Å; D61-K77 IonicContact OD2-NZ 2.86Å; D61-K77 PolarHBondContact OD2-NZ 3Å; F74-K77 WeakPolarHBondContact O-CB 3.39Å; F74-K77 PolarHBondContact O-N 3.09Å; F74-K77 VanDerWaalsContact O-N 3.07Å; K77-L79 PolarHBondContact O-N 2.87Å; K77-H80 PolarHBondContact O-N 3.17Å; K77-H80 VanDerWaalsContact O-N 3.17Å; K77-A81 WeakPolarHBondContact O-CB 3.41Å; K77-A81 PolarHBondContact O-N 3.29Å
78A85.1Confident92.6Very high63 Ų6379 Ų7952%0.52140%0.395SS..Hα-helixtrans-60.2-37.8-178.700000112S76 R82S76-A78 PolarHBondContact O-N 3.24Å; A78-R82 WeakPolarHBondContact O-CB 3.48Å; A78-R82 VanDerWaalsContact O-CG 3.32Å; A78-R82 WeakPolarHBondContact O-CG 3.32Å; A78-R82 PolarHBondContact O-N 3.13Å; A78-R82 VanDerWaalsContact O-N 3.13Å
79L89.8Confident92.8Very high91 Ų9181 Ų8148%0.47640%0.403SS..Hα-helixtrans-67.2-45.8176.2179.2150000111.5S76 K77 R82 K83S76-L79 PolarHBondContact O-N 3.11Å; K77-L79 PolarHBondContact O-N 2.87Å; L79-R82 PolarHBondContact O-N 2.86Å; L79-K83 HydrophobicContact CD2-CD 3.77Å; L79-K83 HydrophobicContact CD2-CG 4.33Å; L79-K83 WeakPolarHBondContact O-CG 3.43Å; L79-K83 PolarHBondContact O-N 3.23Å
80H90.6Very high93Very high114 Ų11483.6 Ų83.653%0.52841%0.413SS..Hα-helixtrans-66.4-41.9179.5-73.179.4000112S76 K77 R82 K83 H84S76-H80 PolarHBondContact O-N 3.4Å; S76-H80 PolarHBondContact O-ND1 3.44Å; K77-H80 PolarHBondContact O-N 3.17Å; K77-H80 VanDerWaalsContact O-N 3.17Å; H80-R82 VanDerWaalsContact C-N 3.33Å; H80-R82 PolarHBondContact O-N 3.42Å; H80-K83 PolarHBondContact O-N 2.93Å; H80-H84 WeakPolarHBondContact O-CB 3.44Å; H80-H84 PolarHBondContact O-N 3.39Å
81A88.9Confident93.1Very high59 Ų5987.2 Ų87.249%0.48843%0.43SS..Hα-helixtrans-59-44.3175.500000111.6K77 K85K77-A81 WeakPolarHBondContact O-CB 3.41Å; K77-A81 PolarHBondContact O-N 3.29Å; A81-K85 WeakPolarHBondContact O-CB 3.32Å; A81-K85 PolarHBondContact O-N 2.95Å
82R92.3Very high93.2Very high198 Ų19891.2 Ų91.275%0.74745%0.449SS*.Hα-helixtrans-66-40.9175.8-73.7178.3-177.9-176.71.6112.6A78 L79 H80 K85 L86A78-R82 WeakPolarHBondContact O-CB 3.48Å; A78-R82 VanDerWaalsContact O-CG 3.32Å; A78-R82 WeakPolarHBondContact O-CG 3.32Å; A78-R82 PolarHBondContact O-N 3.13Å; A78-R82 VanDerWaalsContact O-N 3.13Å; L79-R82 PolarHBondContact O-N 2.86Å; H80-R82 VanDerWaalsContact C-N 3.33Å; H80-R82 PolarHBondContact O-N 3.42Å; R82-K85 PolarHBondContact O-N 3.35Å; R82-L86 WeakPolarHBondContact O-CB 3.38Å; R82-L86 PolarHBondContact O-N 3.1Å
83K95.9Very high93.4Very high115 Ų11592.7 Ų92.750%0.546%0.463SS..Hα-helixtrans-62.6-49.2175.8-78.8-174.1175.9-178.20112L79 H80 K85 L86 E87L79-K83 HydrophobicContact CD2-CD 3.77Å; L79-K83 HydrophobicContact CD2-CG 4.33Å; L79-K83 WeakPolarHBondContact O-CG 3.43Å; L79-K83 PolarHBondContact O-N 3.23Å; H80-K83 PolarHBondContact O-N 2.93Å; K83-K85 VanDerWaalsContact C-N 3.27Å; K83-K85 PolarHBondContact O-N 3.45Å; K83-L86 WeakPolarHBondContact O-CB 3.43Å; K83-L86 PolarHBondContact O-N 2.77Å; K83-L86 VanDerWaalsContact O-N 3.1Å; K83-E87 WeakPolarHBondContact O-CG 3.46Å; K83-E87 PolarHBondContact O-N 3.09Å
84H95.5Very high93.6Very high126 Ų12696 Ų9658%0.58349%0.486SS*.Hα-helixtrans-59.4-42176.8-174.4-83.9000111H80 L86 E87 E88H80-H84 WeakPolarHBondContact O-CB 3.44Å; H80-H84 PolarHBondContact O-N 3.39Å; H84-L86 VanDerWaalsContact C-N 3.32Å; H84-L86 PolarHBondContact O-N 3.39Å; H84-E87 PolarHBondContact O-N 2.96Å; H84-E88 WeakPolarHBondContact O-CB 3.37Å; H84-E88 PolarHBondContact O-N 3.35Å
85K95.8Very high94Very high98 Ų9895.9 Ų95.943%0.42649%0.489SS..Hα-helixtrans-64.7-38.2176.8-169.460.1-176.7174.70112.4A81 R82 K83 E88 L89A81-K85 WeakPolarHBondContact O-CB 3.32Å; A81-K85 PolarHBondContact O-N 2.95Å; R82-K85 PolarHBondContact O-N 3.35Å; K83-K85 VanDerWaalsContact C-N 3.27Å; K83-K85 PolarHBondContact O-N 3.45Å; K85-E88 WeakPolarHBondContact CD-OE2 3.38Å; K85-E88 IonicContact NZ-OE1 2.97Å; K85-E88 IonicContact NZ-OE2 3.82Å; K85-E88 PolarHBondContact NZ-OE2 3.35Å; K85-L89 HydrophobicContact CG-CD1 4.15Å; K85-L89 WeakPolarHBondContact O-CB 3.24Å; K85-L89 VanDerWaalsContact O-CG 3.24Å; K85-L89 WeakPolarHBondContact O-CG 3.42Å; K85-L89 PolarHBondContact O-N 2.92Å
86L97.5Very high94.5Very high97 Ų9795.1 Ų95.151%0.50849%0.488SS..Hα-helixtrans-62.8-47.3175.2-177.568.7000111.2R82 K83 H84 E88 L89 Q90R82-L86 WeakPolarHBondContact O-CB 3.38Å; R82-L86 PolarHBondContact O-N 3.1Å; K83-L86 WeakPolarHBondContact O-CB 3.43Å; K83-L86 PolarHBondContact O-N 2.77Å; K83-L86 VanDerWaalsContact O-N 3.1Å; H84-L86 VanDerWaalsContact C-N 3.32Å; H84-L86 PolarHBondContact O-N 3.39Å; L86-E88 PolarHBondContact O-N 3.3Å; L86-L89 PolarHBondContact O-N 2.84Å; L86-Q90 HydrophobicContact CG-CG 4.46Å; L86-Q90 WeakPolarHBondContact O-CB 3.4Å; L86-Q90 VanDerWaalsContact O-CG 3.24Å; L86-Q90 WeakPolarHBondContact O-CG 3.36Å; L86-Q90 PolarHBondContact O-N 3.31Å
87E97.8Very high95Very high117 Ų11798.8 Ų98.855%0.54750%0.496SS..Hα-helixtrans-61.2-43.8178-72169.3-167.800111.7K83 H84 Q90 K91K83-E87 WeakPolarHBondContact O-CG 3.46Å; K83-E87 PolarHBondContact O-N 3.09Å; H84-E87 PolarHBondContact O-N 2.96Å; E87-Q90 PolarHBondContact O-N 3Å; E87-K91 WeakPolarHBondContact O-CB 3.49Å; E87-K91 PolarHBondContact O-N 2.91Å
88E97.8Very high95.6Very high75 Ų75101.9 Ų101.935%0.3551%0.512SS..Hα-helixtrans-59.1-48.9175.3-169.4-160.3164.200111.3H84 K85 L86 K91 Q92H84-E88 WeakPolarHBondContact O-CB 3.37Å; H84-E88 PolarHBondContact O-N 3.35Å; K85-E88 WeakPolarHBondContact CD-OE2 3.38Å; K85-E88 IonicContact NZ-OE1 2.97Å; K85-E88 IonicContact NZ-OE2 3.82Å; K85-E88 PolarHBondContact NZ-OE2 3.35Å; L86-E88 PolarHBondContact O-N 3.3Å; E88-K91 PolarHBondContact O-N 2.96Å; E88-Q92 WeakPolarHBondContact O-CG 3.24Å; E88-Q92 PolarHBondContact O-N 3.5Å; E88-Q92 PolarHBondContact OE1-NE2 2.94Å; E88-Q92 VanDerWaalsContact OE1-NE2 3.09Å
89L97.9Very high96.2Very high78 Ų78106.9 Ų106.941%0.40852%0.517SS..Hα-helixtrans-65.1-39.7178.8-72.3172000111.9K85 L86 K91 Q92 V93K85-L89 HydrophobicContact CG-CD1 4.15Å; K85-L89 WeakPolarHBondContact O-CB 3.24Å; K85-L89 VanDerWaalsContact O-CG 3.24Å; K85-L89 WeakPolarHBondContact O-CG 3.42Å; K85-L89 PolarHBondContact O-N 2.92Å; L86-L89 PolarHBondContact O-N 2.84Å; L89-K91 VanDerWaalsContact C-N 3.33Å; L89-K91 PolarHBondContact O-N 3.36Å; L89-Q92 PolarHBondContact O-N 3.4Å; L89-V93 VanDerWaalsContact O-CG2 3.31Å; L89-V93 WeakPolarHBondContact O-CG2 3.41Å; L89-V93 PolarHBondContact O-N 3.32Å
90Q98.1Very high96.6Very high115 Ų115108.6 Ų108.654%0.53752%0.521SS..Hα-helixtrans-61.4-42.8175.4-77.4173.9-14.400111.5L86 E87 V93 S94L86-Q90 HydrophobicContact CG-CG 4.46Å; L86-Q90 WeakPolarHBondContact O-CB 3.4Å; L86-Q90 VanDerWaalsContact O-CG 3.24Å; L86-Q90 WeakPolarHBondContact O-CG 3.36Å; L86-Q90 PolarHBondContact O-N 3.31Å; E87-Q90 PolarHBondContact O-N 3Å; Q90-V93 PolarHBondContact O-N 2.97Å; Q90-S94 PolarHBondContact O-N 3.13Å
91K98.1Very high96.9Very high143 Ų143106.5 Ų106.562%0.62252%0.516SS*.Hα-helixtrans-61.7-47.9174.5-175.1179.3178-178.20111.4E87 E88 L89 V93 S94 D95E87-K91 WeakPolarHBondContact O-CB 3.49Å; E87-K91 PolarHBondContact O-N 2.91Å; E88-K91 PolarHBondContact O-N 2.96Å; L89-K91 VanDerWaalsContact C-N 3.33Å; L89-K91 PolarHBondContact O-N 3.36Å; K91-V93 VanDerWaalsContact C-N 3.31Å; K91-V93 PolarHBondContact O-N 2.91Å; K91-S94 WeakPolarHBondContact O-CB 3.26Å; K91-S94 PolarHBondContact O-N 3.48Å; K91-S94 VanDerWaalsContact O-N 3.13Å; K91-D95 PolarHBondContact O-N 2.91Å
92Q98Very high97.3Very high98 Ų98106.6 Ų106.646%0.45851%0.513SS..Hα-helixtrans-58.8-41.9177.8-72176.710.700112.2E88 L89 D95 A96E88-Q92 WeakPolarHBondContact O-CG 3.24Å; E88-Q92 PolarHBondContact O-N 3.5Å; E88-Q92 PolarHBondContact OE1-NE2 2.94Å; E88-Q92 VanDerWaalsContact OE1-NE2 3.09Å; L89-Q92 PolarHBondContact O-N 3.4Å; Q92-D95 PolarHBondContact O-N 3.49Å; Q92-A96 VanDerWaalsContact O-CB 3.26Å; Q92-A96 WeakPolarHBondContact O-CB 3.31Å; Q92-A96 PolarHBondContact O-N 2.92Å
93V98.3Very high97.6Very high77 Ų77102.5 Ų102.547%0.46751%0.505SS..Hα-helixtrans-63.5-43.4175.7168.40000111.3L89 Q90 K91 A96 K97L89-V93 VanDerWaalsContact O-CG2 3.31Å; L89-V93 WeakPolarHBondContact O-CG2 3.41Å; L89-V93 PolarHBondContact O-N 3.32Å; Q90-V93 PolarHBondContact O-N 2.97Å; K91-V93 VanDerWaalsContact C-N 3.31Å; K91-V93 PolarHBondContact O-N 2.91Å; V93-A96 PolarHBondContact O-N 2.89Å; V93-K97 HydrophobicContact CG1-CD 4.12Å; V93-K97 WeakPolarHBondContact O-CB 3.5Å; V93-K97 VanDerWaalsContact O-CG 3.28Å; V93-K97 WeakPolarHBondContact O-CG 3.47Å; V93-K97 PolarHBondContact O-N 2.92Å
94S98.2Very high97.6Very high72 Ų72101.9 Ų101.950%0.50350%0.504SS..Hα-helixtrans-60.3-48.9176.7-172.60000111.6Q90 K91 A96 K97 H98Q90-S94 PolarHBondContact O-N 3.13Å; K91-S94 WeakPolarHBondContact O-CB 3.26Å; K91-S94 PolarHBondContact O-N 3.48Å; K91-S94 VanDerWaalsContact O-N 3.13Å; S94-A96 PolarHBondContact O-N 3.41Å; S94-K97 WeakPolarHBondContact O-CB 3.42Å; S94-K97 PolarHBondContact O-N 3.31Å; S94-H98 PolarHBondContact O-N 3.46Å
95D98Very high97.7Very high70 Ų70102.5 Ų102.537%0.37451%0.505SS..Hα-helixtrans-62.7-43.1179.4-70-14000111.4K91 Q92 K97 H98 R99K91-D95 PolarHBondContact O-N 2.91Å; Q92-D95 PolarHBondContact O-N 3.49Å; D95-K97 PolarHBondContact O-N 2.96Å; D95-H98 PolarHBondContact O-N 3.23Å; D95-R99 WeakPolarHBondContact O-CB 3.44Å; D95-R99 VanDerWaalsContact O-CG 3.3Å; D95-R99 WeakPolarHBondContact O-CG 3.38Å; D95-R99 PolarHBondContact O-N 2.94Å
96A97.8Very high97.7Very high55 Ų55101.8 Ų101.846%0.45551%0.509SS..Hα-helixtrans-62.9-40.7176.400000112Q92 V93 S94 R99 K100Q92-A96 VanDerWaalsContact O-CB 3.26Å; Q92-A96 WeakPolarHBondContact O-CB 3.31Å; Q92-A96 PolarHBondContact O-N 2.92Å; V93-A96 PolarHBondContact O-N 2.89Å; S94-A96 PolarHBondContact O-N 3.41Å; A96-R99 PolarHBondContact O-N 3.45Å; A96-K100 WeakPolarHBondContact O-CB 3.3Å; A96-K100 PolarHBondContact O-N 3.47Å
97K98.1Very high97.6Very high138 Ų138100.9 Ų100.960%0.651%0.507SS*.Hα-helixtrans-62.1-45.5174.3-77.3174.3178.91800111.5V93 S94 D95 R99 K100 V101V93-K97 HydrophobicContact CG1-CD 4.12Å; V93-K97 WeakPolarHBondContact O-CB 3.5Å; V93-K97 VanDerWaalsContact O-CG 3.28Å; V93-K97 WeakPolarHBondContact O-CG 3.47Å; V93-K97 PolarHBondContact O-N 2.92Å; S94-K97 WeakPolarHBondContact O-CB 3.42Å; S94-K97 PolarHBondContact O-N 3.31Å; D95-K97 PolarHBondContact O-N 2.96Å; K97-R99 PolarHBondContact O-N 3.29Å; K97-K100 PolarHBondContact O-N 3.47Å; K97-V101 WeakPolarHBondContact O-CG2 3.28Å; K97-V101 PolarHBondContact O-N 3.01Å
98H97.5Very high97.5Very high140 Ų140100.4 Ų100.465%0.64851%0.505SS*.Hα-helixtrans-61.8-44.8177.4-176.5-89.3000111.6S94 D95 K100 V101 S102S94-H98 PolarHBondContact O-N 3.46Å; D95-H98 PolarHBondContact O-N 3.23Å; H98-K100 PolarHBondContact O-N 3.31Å; H98-V101 PolarHBondContact O-N 2.87Å; H98-S102 PolarHBondContact O-N 2.9Å
99R97.8Very high97.3Very high169 Ų169104.9 Ų104.964%0.63852%0.524SS*.Hα-helixtrans-59.6-44.9175.4-72.7174.6-171.3173.44.4112D95 A96 K97 V101 S102 L103D95-R99 WeakPolarHBondContact O-CB 3.44Å; D95-R99 VanDerWaalsContact O-CG 3.3Å; D95-R99 WeakPolarHBondContact O-CG 3.38Å; D95-R99 PolarHBondContact O-N 2.94Å; A96-R99 PolarHBondContact O-N 3.45Å; K97-R99 PolarHBondContact O-N 3.29Å; R99-V101 PolarHBondContact O-N 3.48Å; R99-S102 PolarHBondContact O-N 3.34Å; R99-L103 WeakPolarHBondContact O-CB 3.49Å; R99-L103 WeakPolarHBondContact O-CG 3.43Å; R99-L103 PolarHBondContact O-N 3.06Å
100K98Very high97Very high127 Ų127103.4 Ų103.455%0.55252%0.523SS*.Hα-helixtrans-55.9-51.6176.3178.1-179.3170.2-179.90111.2A96 K97 H98 S102 L103 E104A96-K100 WeakPolarHBondContact O-CB 3.3Å; A96-K100 PolarHBondContact O-N 3.47Å; K97-K100 PolarHBondContact O-N 3.47Å; H98-K100 PolarHBondContact O-N 3.31Å; K100-S102 VanDerWaalsContact C-N 3.32Å; K100-S102 PolarHBondContact O-N 2.9Å; K100-L103 PolarHBondContact O-N 3.41Å; K100-E104 WeakPolarHBondContact CE-OE1 2.81Å; K100-E104 HydrophobicContact CG-CG 4.4Å; K100-E104 IonicContact NZ-OE1 3.86Å; K100-E104 WeakPolarHBondContact O-CB 3.43Å; K100-E104 WeakPolarHBondContact O-CG 3.43Å; K100-E104 PolarHBondContact O-N 3.49Å
101V98.1Very high96.8Very high69 Ų69103 Ų10342%0.41852%0.52SS..Hα-helixtrans-61.2-40.8-179.8172.70000111.7K97 H98 R99 K105K97-V101 WeakPolarHBondContact O-CG2 3.28Å; K97-V101 PolarHBondContact O-N 3.01Å; H98-V101 PolarHBondContact O-N 2.87Å; R99-V101 PolarHBondContact O-N 3.48Å; V101-K105 HydrophobicContact CG1-CD 4.48Å; V101-K105 WeakPolarHBondContact O-CG 3.36Å; V101-K105 PolarHBondContact O-N 3.21Å; V101-K105 VanDerWaalsContact O-N 3.09Å
102S97.4Very high96.4Very high62 Ų62101.2 Ų101.243%0.43452%0.52SS..Hα-helixtrans-64.9-42.3176.9177.30000112.4H98 R99 K100 K105 T106H98-S102 PolarHBondContact O-N 2.9Å; R99-S102 PolarHBondContact O-N 3.34Å; K100-S102 VanDerWaalsContact C-N 3.32Å; K100-S102 PolarHBondContact O-N 2.9Å; S102-K105 PolarHBondContact O-N 3.07Å; S102-T106 PolarHBondContact O-N 3.45Å; S102-T106 VanDerWaalsContact O-N 3.07Å; S102-T106 PolarHBondContact O-OG1 3.48Å
103L97.6Very high95.8Very high112 Ų11299 Ų9959%0.58652%0.524SS*.Hα-helixtrans-66.1-44.2176.8-76.5167.3000111.6R99 K100 K105 T106 V107R99-L103 WeakPolarHBondContact O-CB 3.49Å; R99-L103 WeakPolarHBondContact O-CG 3.43Å; R99-L103 PolarHBondContact O-N 3.06Å; K100-L103 PolarHBondContact O-N 3.41Å; L103-K105 VanDerWaalsContact C-N 3.33Å; L103-K105 PolarHBondContact O-N 3.37Å; L103-T106 WeakPolarHBondContact O-CB 3.38Å; L103-T106 PolarHBondContact O-N 3.01Å; L103-V107 WeakPolarHBondContact O-CG2 3.38Å; L103-V107 PolarHBondContact O-N 3.09Å
104E97.4Very high95.4Very high102 Ų102103.2 Ų103.248%0.47753%0.531SS..Hα-helixtrans-58.2-44.3176.1-75.2172.9162.200111.4K100 T106 V107 E108K100-E104 WeakPolarHBondContact CE-OE1 2.81Å; K100-E104 HydrophobicContact CG-CG 4.4Å; K100-E104 IonicContact NZ-OE1 3.86Å; K100-E104 WeakPolarHBondContact O-CB 3.43Å; K100-E104 WeakPolarHBondContact O-CG 3.43Å; K100-E104 PolarHBondContact O-N 3.49Å; E104-T106 VanDerWaalsContact C-N 3.3Å; E104-T106 PolarHBondContact O-N 3.46Å; E104-V107 PolarHBondContact O-N 3.22Å; E104-E108 WeakPolarHBondContact O-CB 3.25Å; E104-E108 PolarHBondContact O-N 2.9Å
105K96.8Very high94.9Very high138 Ų138104.4 Ų104.460%0.653%0.529SS*.Hα-helixtrans-60.6-38.8173.8-73.8176.7-178.7-178.80112.5V101 S102 L103 K109V101-K105 HydrophobicContact CG1-CD 4.48Å; V101-K105 WeakPolarHBondContact O-CG 3.36Å; V101-K105 PolarHBondContact O-N 3.21Å; V101-K105 VanDerWaalsContact O-N 3.09Å; S102-K105 PolarHBondContact O-N 3.07Å; L103-K105 VanDerWaalsContact C-N 3.33Å; L103-K105 PolarHBondContact O-N 3.37Å; K105-K109 WeakPolarHBondContact O-CG 3.36Å; K105-K109 PolarHBondContact O-N 2.85Å
106T96.5Very high94.4Very high83 Ų83105.3 Ų105.351%0.50956%0.555SS.*Hα-helixtrans-69.2-43.6179.4-57.10000111.3S102 L103 E104 E108 K109 A110S102-T106 PolarHBondContact O-N 3.45Å; S102-T106 VanDerWaalsContact O-N 3.07Å; S102-T106 PolarHBondContact O-OG1 3.48Å; L103-T106 WeakPolarHBondContact O-CB 3.38Å; L103-T106 PolarHBondContact O-N 3.01Å; E104-T106 VanDerWaalsContact C-N 3.3Å; E104-T106 PolarHBondContact O-N 3.46Å; T106-E108 VanDerWaalsContact C-N 3.33Å; T106-E108 PolarHBondContact O-N 3.02Å; T106-K109 PolarHBondContact O-N 2.99Å; T106-A110 WeakPolarHBondContact O-CB 3.4Å; T106-A110 PolarHBondContact O-N 3.06Å
107V95.6Very high94.2Very high78 Ų78105.8 Ų105.847%0.47355%0.552SS.*Hα-helixtrans-60.2-45.3174.91680000110.4L103 E104 K109 A110 K111L103-V107 WeakPolarHBondContact O-CG2 3.38Å; L103-V107 PolarHBondContact O-N 3.09Å; E104-V107 PolarHBondContact O-N 3.22Å; V107-K109 PolarHBondContact O-N 3.42Å; V107-A110 PolarHBondContact O-N 2.99Å; V107-A110 VanDerWaalsContact O-N 3.14Å; V107-K111 HydrophobicContact CG1-CD 4.47Å; V107-K111 WeakPolarHBondContact O-CG 3.3Å; V107-K111 PolarHBondContact O-N 2.9Å
108E94Very high93.9Very high107 Ų107108.1 Ų108.150%0.556%0.562SS.*Hα-helixtrans-65.2-42.4-179.1-159.656.1-148.700111.8E104 T106 A110 K111 V112E104-E108 WeakPolarHBondContact O-CB 3.25Å; E104-E108 PolarHBondContact O-N 2.9Å; T106-E108 VanDerWaalsContact C-N 3.33Å; T106-E108 PolarHBondContact O-N 3.02Å; E108-A110 VanDerWaalsContact C-N 3.29Å; E108-A110 PolarHBondContact O-N 3.41Å; E108-K111 PolarHBondContact O-N 3.49Å; E108-K111 WeakPolarHBondContact OE2-CD 3.39Å; E108-K111 IonicContact OE2-NZ 3.05Å; E108-K111 PolarHBondContact OE2-NZ 3.47Å; E108-V112 PolarHBondContact O-N 3.39Å
109K94.6Very high93.7Very high169 Ų169108.4 Ų108.474%0.73556%0.564SS**Hα-helixtrans-58.9-38.6171.4-74.3178.6179.9-173.70112.8K105 T106 V107 K111K105-K109 WeakPolarHBondContact O-CG 3.36Å; K105-K109 PolarHBondContact O-N 2.85Å; T106-K109 PolarHBondContact O-N 2.99Å; V107-K109 PolarHBondContact O-N 3.42Å; K109-K111 VanDerWaalsContact C-N 3.35Å
110A92.2Very high93.4Very high48 Ų48104.6 Ų104.640%0.39755%0.549SS..Hα-helixtrans-75.8-21-179.400000113.8T106 V107 E108T106-A110 WeakPolarHBondContact O-CB 3.4Å; T106-A110 PolarHBondContact O-N 3.06Å; V107-A110 PolarHBondContact O-N 2.99Å; V107-A110 VanDerWaalsContact O-N 3.14Å; E108-A110 VanDerWaalsContact C-N 3.29Å; E108-A110 PolarHBondContact O-N 3.41Å
111K92.4Very high93.2Very high107 Ų107101.5 Ų101.547%0.46554%0.544SS..Hα-helixtrans-74.9-29.2174.8-76.7176.2-172.3162.80112.8V107 E108 K109 G113 R114 E115V107-K111 HydrophobicContact CG1-CD 4.47Å; V107-K111 WeakPolarHBondContact O-CG 3.3Å; V107-K111 PolarHBondContact O-N 2.9Å; E108-K111 PolarHBondContact O-N 3.49Å; E108-K111 WeakPolarHBondContact OE2-CD 3.39Å; E108-K111 IonicContact OE2-NZ 3.05Å; E108-K111 PolarHBondContact OE2-NZ 3.47Å; K109-K111 VanDerWaalsContact C-N 3.35Å; K111-G113 PolarHBondContact O-N 3.05Å; K111-R114 CarbonylContact O-C 3.57Å; K111-R114 WeakPolarHBondContact O-CA 3.42Å; K111-R114 PolarHBondContact O-N 3.5Å; K111-E115 PolarHBondContact O-N 3.35Å
112V90.9Very high93.1Very high104 Ų104100.7 Ų100.763%0.6354%0.541SS*.THydrogen-bonded Turntrans-58.1122.4177-177.70000109.3E108 R114E108-V112 PolarHBondContact O-N 3.39Å; V112-R114 VanDerWaalsContact C-N 3.25Å; V112-R114 PolarHBondContact O-N 3.06Å
113G85.4Confident93Very high52 Ų52102.9 Ų102.954%0.53655%0.547SS..THydrogen-bonded Turntrans781.9-175.100000115K111 E115 R120K111-G113 PolarHBondContact O-N 3.05Å; G113-E115 VanDerWaalsContact CA-OE2 3.28Å; G113-E115 WeakPolarHBondContact CA-OE2 3.32Å; G113-E115 VanDerWaalsContact N-CD 3.33Å; G113-E115 PolarHBondContact N-OE1 3.14Å; G113-E115 PolarHBondContact N-OE2 3.35Å; G113-R120 PolarHBondContact O-NH1 2.99Å
114R88.1Confident92.9Very high166 Ų166101.7 Ų101.763%0.62654%0.541SS*.  trans-125.530.3172.8-58.9-176-175.71570.1111.2K111 V112K111-R114 CarbonylContact O-C 3.57Å; K111-R114 WeakPolarHBondContact O-CA 3.42Å; K111-R114 PolarHBondContact O-N 3.5Å; V112-R114 VanDerWaalsContact C-N 3.25Å; V112-R114 PolarHBondContact O-N 3.06Å
115E88.9Confident92.8Very high96 Ų96104.2 Ų104.245%0.44955%0.551SS.*  trans-60.3142.2178.7-58.883.4-174.600110.1K111 G113 T117 R120K111-E115 PolarHBondContact O-N 3.35Å; G113-E115 VanDerWaalsContact CA-OE2 3.28Å; G113-E115 WeakPolarHBondContact CA-OE2 3.32Å; G113-E115 VanDerWaalsContact N-CD 3.33Å; G113-E115 PolarHBondContact N-OE1 3.14Å; G113-E115 PolarHBondContact N-OE2 3.35Å; E115-T117 HydrophobicContact CB-CG2 4.07Å; E115-T117 PolarHBondContact O-N 2.9Å; E115-R120 WeakPolarHBondContact O-CD 3.45Å
116G87.9Confident92.9Very high89 Ų89102.8 Ų102.892%0.91855%0.546SS*.  trans-73.556.8179.800000112.7
117T92.4Very high92.9Very high65 Ų65102.6 Ų102.640%0.39954%0.541SS..  trans-80152.8178.166.30000111E115 E119 R120 S121E115-T117 HydrophobicContact CB-CG2 4.07Å; E115-T117 PolarHBondContact O-N 2.9Å; T117-E119 PolarHBondContact O-N 2.92Å; T117-R120 PolarHBondContact O-N 2.97Å; T117-R120 WeakPolarHBondContact OG1-CB 3.47Å; T117-R120 PolarHBondContact OG1-N 2.71Å; T117-S121 PolarHBondContact O-N 3.36Å; T117-S121 VanDerWaalsContact O-N 3.15Å
118K93Very high93Very high188 Ų188104.4 Ų104.482%0.81755%0.545SS*.Hα-helixtrans-57.2-40.3172.6-69.6-176.2-179.7178.40110.8S121 S122K118-S121 PolarHBondContact O-N 3.12Å; K118-S121 PolarHBondContact O-OG 3.48Å; K118-S122 PolarHBondContact O-N 2.88Å; K118-S122 PolarHBondContact O-OG 3.22Å
119E93.1Very high93.2Very high145 Ų145102.1 Ų102.168%0.67854%0.54SS*.Hα-helixtrans-59.1-45.8175.7-65175.7-177.200112.8T117 S121 S122 L123T117-E119 PolarHBondContact O-N 2.92Å; E119-S121 VanDerWaalsContact C-N 3.3Å; E119-S121 PolarHBondContact O-N 3.23Å; E119-S122 WeakPolarHBondContact CA-OG 3.33Å; E119-S122 PolarHBondContact O-N 3Å; E119-S122 PolarHBondContact O-OG 3.27Å; E119-L123 WeakPolarHBondContact O-CB 3.24Å; E119-L123 VanDerWaalsContact O-CG 3.31Å; E119-L123 WeakPolarHBondContact O-CG 3.42Å; E119-L123 PolarHBondContact O-N 2.83Å
120R92.1Very high93.3Very high90 Ų9099 Ų9934%0.3453%0.531SS..Hα-helixtrans-60.3-43.6176-177.5-178.2177.582.54.5111.1G113 E115 T117 L123 L124G113-R120 PolarHBondContact O-NH1 2.99Å; E115-R120 WeakPolarHBondContact O-CD 3.45Å; T117-R120 PolarHBondContact O-N 2.97Å; T117-R120 WeakPolarHBondContact OG1-CB 3.47Å; T117-R120 PolarHBondContact OG1-N 2.71Å; R120-L123 PolarHBondContact O-N 3.34Å; R120-L124 HydrophobicContact CG-CD1 4.13Å; R120-L124 HydrophobicContact CG-CG 4.5Å; R120-L124 WeakPolarHBondContact O-CB 3.32Å; R120-L124 VanDerWaalsContact O-CG 3.27Å; R120-L124 WeakPolarHBondContact O-CG 3.19Å; R120-L124 PolarHBondContact O-N 3.48Å
121S93.3Very high93.6Very high62 Ų62104.3 Ų104.343%0.43454%0.541SS..Hα-helixtrans-66.2-37.3179.472.30000113.2T117 K118 E119 K125T117-S121 PolarHBondContact O-N 3.36Å; T117-S121 VanDerWaalsContact O-N 3.15Å; K118-S121 PolarHBondContact O-N 3.12Å; K118-S121 PolarHBondContact O-OG 3.48Å; E119-S121 VanDerWaalsContact C-N 3.3Å; E119-S121 PolarHBondContact O-N 3.23Å; S121-K125 WeakPolarHBondContact O-CG 3.29Å; S121-K125 PolarHBondContact O-N 3.28Å
122S94.8Very high93.9Very high52 Ų52103.8 Ų103.836%0.36454%0.54SS..Hα-helixtrans-70.2-42.5175.859.80000111.2K118 E119 L124 K125 Q126K118-S122 PolarHBondContact O-N 2.88Å; K118-S122 PolarHBondContact O-OG 3.22Å; E119-S122 WeakPolarHBondContact CA-OG 3.33Å; E119-S122 PolarHBondContact O-N 3Å; E119-S122 PolarHBondContact O-OG 3.27Å; S122-L124 VanDerWaalsContact C-N 3.34Å; S122-L124 PolarHBondContact O-N 3.22Å; S122-K125 PolarHBondContact O-N 3.42Å; S122-Q126 WeakPolarHBondContact O-CG 3.32Å; S122-Q126 PolarHBondContact O-N 3.49Å
123L95.5Very high94.2Very high107 Ų107103.8 Ų103.856%0.5653%0.533SS*.Hα-helixtrans-60.7-40.3174.7-75.6169.5000112.3E119 R120 K125 Q126 L127E119-L123 WeakPolarHBondContact O-CB 3.24Å; E119-L123 VanDerWaalsContact O-CG 3.31Å; E119-L123 WeakPolarHBondContact O-CG 3.42Å; E119-L123 PolarHBondContact O-N 2.83Å; R120-L123 PolarHBondContact O-N 3.34Å; L123-K125 VanDerWaalsContact C-N 3.35Å; L123-K125 PolarHBondContact O-N 2.97Å; L123-Q126 PolarHBondContact O-N 3.41Å; L123-L127 VanDerWaalsContact O-CB 3.29Å; L123-L127 WeakPolarHBondContact O-CB 3.08Å; L123-L127 PolarHBondContact O-N 3.33Å
124L95.4Very high94.8Very high88 Ų88109.5 Ų109.546%0.46154%0.539SS..Hα-helixtrans-64.1-39.5175.9-75.3171.7000112.1R120 S122 L127 Q128R120-L124 HydrophobicContact CG-CD1 4.13Å; R120-L124 HydrophobicContact CG-CG 4.5Å; R120-L124 WeakPolarHBondContact O-CB 3.32Å; R120-L124 VanDerWaalsContact O-CG 3.27Å; R120-L124 WeakPolarHBondContact O-CG 3.19Å; R120-L124 PolarHBondContact O-N 3.48Å; S122-L124 VanDerWaalsContact C-N 3.34Å; S122-L124 PolarHBondContact O-N 3.22Å; L124-L127 PolarHBondContact O-N 3.28Å; L124-Q128 PolarHBondContact O-N 3.1Å
125K96.5Very high95.2Very high155 Ų155106 Ų10667%0.67454%0.536SS*.Hα-helixtrans-65.3-44.6174.1-72.1177.7179.7-176.30111.8S121 S122 L123 Q128 S129S121-K125 WeakPolarHBondContact O-CG 3.29Å; S121-K125 PolarHBondContact O-N 3.28Å; S122-K125 PolarHBondContact O-N 3.42Å; L123-K125 VanDerWaalsContact C-N 3.35Å; L123-K125 PolarHBondContact O-N 2.97Å; K125-Q128 WeakPolarHBondContact O-CB 3.07Å; K125-Q128 PolarHBondContact O-N 2.89Å; K125-S129 PolarHBondContact O-N 3.44Å
126Q97.4Very high95.6Very high107 Ų107108.5 Ų108.550%0.555%0.546SS..Hα-helixtrans-62.9-41.8176.1-72177.63.800112S122 L123 Q128 S129 L130S122-Q126 WeakPolarHBondContact O-CG 3.32Å; S122-Q126 PolarHBondContact O-N 3.49Å; L123-Q126 PolarHBondContact O-N 3.41Å; Q126-Q128 VanDerWaalsContact C-N 3.27Å; Q126-Q128 PolarHBondContact O-N 3.25Å; Q126-S129 WeakPolarHBondContact CA-OG 3.26Å; Q126-S129 PolarHBondContact O-N 3.06Å; Q126-S129 PolarHBondContact O-OG 2.84Å; Q126-L130 WeakPolarHBondContact O-CB 3.08Å; Q126-L130 VanDerWaalsContact O-CG 3.3Å; Q126-L130 WeakPolarHBondContact O-CG 3.41Å; Q126-L130 PolarHBondContact O-N 3.1Å
127L97.1Very high96.1Very high79 Ų79108.3 Ų108.341%0.41452%0.523SS..Hα-helixtrans-60.7-40.8175.9179.765.3000111.2L123 L124 R131L123-L127 VanDerWaalsContact O-CB 3.29Å; L123-L127 WeakPolarHBondContact O-CB 3.08Å; L123-L127 PolarHBondContact O-N 3.33Å; L124-L127 PolarHBondContact O-N 3.28Å; L127-R131 WeakPolarHBondContact O-CB 3.3Å; L127-R131 VanDerWaalsContact O-CG 3.26Å; L127-R131 WeakPolarHBondContact O-CG 3.46Å; L127-R131 PolarHBondContact O-N 2.99Å
128Q97.8Very high96.2Very high116 Ų116110 Ų11054%0.54253%0.526SS..Hα-helixtrans-64.4-48.7176.2-178.7171.8-2.600111.5L124 K125 Q126 L130 R131 E132L124-Q128 PolarHBondContact O-N 3.1Å; K125-Q128 WeakPolarHBondContact O-CB 3.07Å; K125-Q128 PolarHBondContact O-N 2.89Å; Q126-Q128 VanDerWaalsContact C-N 3.27Å; Q126-Q128 PolarHBondContact O-N 3.25Å; Q128-L130 VanDerWaalsContact C-N 3.34Å; Q128-L130 PolarHBondContact O-N 3.19Å; Q128-R131 PolarHBondContact O-N 3.5Å; Q128-E132 WeakPolarHBondContact CG-OE1 3.27Å; Q128-E132 PolarHBondContact NE2-OE1 3.04Å; Q128-E132 WeakPolarHBondContact O-CG 3.3Å; Q128-E132 PolarHBondContact O-N 3.28Å
129S97.7Very high96.3Very high59 Ų59103.8 Ų103.841%0.41351%0.51SS..Hα-helixtrans-61.3-42.317962.60000112.2K125 Q126 R131 E132 E133K125-S129 PolarHBondContact O-N 3.44Å; Q126-S129 WeakPolarHBondContact CA-OG 3.26Å; Q126-S129 PolarHBondContact O-N 3.06Å; Q126-S129 PolarHBondContact O-OG 2.84Å; S129-R131 VanDerWaalsContact C-N 3.33Å; S129-R131 PolarHBondContact O-N 3.27Å; S129-E132 PolarHBondContact O-N 3.01Å; S129-E133 WeakPolarHBondContact O-CB 3.39Å; S129-E133 PolarHBondContact O-N 2.72Å
130L98.1Very high96.3Very high103 Ų103101.4 Ų101.454%0.53950%0.499SS..Hα-helixtrans-65-35177-73171.2000112.5Q126 Q128 R134Q126-L130 WeakPolarHBondContact O-CB 3.08Å; Q126-L130 VanDerWaalsContact O-CG 3.3Å; Q126-L130 WeakPolarHBondContact O-CG 3.41Å; Q126-L130 PolarHBondContact O-N 3.1Å; Q128-L130 VanDerWaalsContact C-N 3.34Å; Q128-L130 PolarHBondContact O-N 3.19Å; L130-R134 VanDerWaalsContact O-CB 3.25Å; L130-R134 WeakPolarHBondContact O-CB 3.42Å; L130-R134 PolarHBondContact O-N 3.27Å
131R97.9Very high96.2Very high160 Ų160102.3 Ų102.360%0.60451%0.51SS*.Hα-helixtrans-66.8-41.9174.7-79.1174.4174.7-173.8-1.5111.8L127 Q128 S129 T135L127-R131 WeakPolarHBondContact O-CB 3.3Å; L127-R131 VanDerWaalsContact O-CG 3.26Å; L127-R131 WeakPolarHBondContact O-CG 3.46Å; L127-R131 PolarHBondContact O-N 2.99Å; Q128-R131 PolarHBondContact O-N 3.5Å; S129-R131 VanDerWaalsContact C-N 3.33Å; S129-R131 PolarHBondContact O-N 3.27Å; R131-T135 WeakPolarHBondContact O-CB 3.46Å; R131-T135 PolarHBondContact O-N 3.04Å; R131-T135 PolarHBondContact O-OG1 3.39Å
132E97.8Very high96.1Very high96 Ų96104 Ų10445%0.44951%0.511SS..Hα-helixtrans-64.3-44.5176-70.1170.8-166.300110.9Q128 S129 T135 K136Q128-E132 WeakPolarHBondContact CG-OE1 3.27Å; Q128-E132 PolarHBondContact NE2-OE1 3.04Å; Q128-E132 WeakPolarHBondContact O-CG 3.3Å; Q128-E132 PolarHBondContact O-N 3.28Å; S129-E132 PolarHBondContact O-N 3.01Å; E132-T135 PolarHBondContact O-N 3.18Å; E132-K136 WeakPolarHBondContact O-CG 3.45Å; E132-K136 PolarHBondContact O-N 3.26Å
133E97.9Very high95.8Very high104 Ų104109.3 Ų109.349%0.48653%0.528SS..Hα-helixtrans-61.5-48.8175.6-174.5177.2-171.900112S129 T135 K136 L137S129-E133 WeakPolarHBondContact O-CB 3.39Å; S129-E133 PolarHBondContact O-N 2.72Å; E133-T135 PolarHBondContact O-N 3.41Å; E133-K136 WeakPolarHBondContact O-CB 3.45Å; E133-K136 PolarHBondContact O-N 3.05Å; E133-K136 VanDerWaalsContact O-N 3.1Å; E133-L137 HydrophobicContact CG-CD1 4.02Å; E133-L137 HydrophobicContact CG-CG 4.41Å; E133-L137 WeakPolarHBondContact O-CG 3.5Å; E133-L137 PolarHBondContact O-N 2.98Å
134R97.9Very high95.3Very high173 Ų173110.7 Ų110.765%0.65353%0.526SS*.Hα-helixtrans-55.9-41.3175.2-176.3-125.1176.8173.2-0111.5L130 Q138L130-R134 VanDerWaalsContact O-CB 3.25Å; L130-R134 WeakPolarHBondContact O-CB 3.42Å; L130-R134 PolarHBondContact O-N 3.27Å; R134-Q138 VanDerWaalsContact O-CB 3.27Å; R134-Q138 WeakPolarHBondContact O-CB 3.27Å; R134-Q138 PolarHBondContact O-N 3.2Å
135T97.6Very high94.7Very high93 Ų93114.1 Ų114.157%0.57153%0.533SS*.Hα-helixtrans-66.1-41.6178.9-54.30000111.3R131 E132 E133 A139R131-T135 WeakPolarHBondContact O-CB 3.46Å; R131-T135 PolarHBondContact O-N 3.04Å; R131-T135 PolarHBondContact O-OG1 3.39Å; E132-T135 PolarHBondContact O-N 3.18Å; E133-T135 PolarHBondContact O-N 3.41Å; T135-A139 WeakPolarHBondContact O-CB 3.45Å; T135-A139 PolarHBondContact O-N 3.45Å
136K97.3Very high93.6Very high148 Ų148115 Ų11564%0.64354%0.539SS*.Hα-helixtrans-63.3-49.2175.5-71.5172.6-177.4175.60111.9E132 E133 Q138 A139 E140E132-K136 WeakPolarHBondContact O-CG 3.45Å; E132-K136 PolarHBondContact O-N 3.26Å; E133-K136 WeakPolarHBondContact O-CB 3.45Å; E133-K136 PolarHBondContact O-N 3.05Å; E133-K136 VanDerWaalsContact O-N 3.1Å; K136-Q138 VanDerWaalsContact C-N 3.32Å; K136-Q138 PolarHBondContact O-N 3.49Å; K136-A139 PolarHBondContact O-N 3.17Å; K136-E140 PolarHBondContact O-N 3.38Å
137L96.6Very high92.8Very high84 Ų84113.7 Ų113.744%0.4454%0.541SS..Hα-helixtrans-62.1-40.1178.7-70.1173.3000111.6E133 A139 E140 L141E133-L137 HydrophobicContact CG-CD1 4.02Å; E133-L137 HydrophobicContact CG-CG 4.41Å; E133-L137 WeakPolarHBondContact O-CG 3.5Å; E133-L137 PolarHBondContact O-N 2.98Å; L137-A139 PolarHBondContact O-N 3.06Å; L137-E140 PolarHBondContact O-N 2.88Å; L137-L141 WeakPolarHBondContact O-CB 3.43Å; L137-L141 WeakPolarHBondContact O-CG 3.32Å; L137-L141 PolarHBondContact O-N 3.48Å
138Q95.8Very high92Very high101 Ų101113.1 Ų113.147%0.47254%0.539SS..Hα-helixtrans-63.2-42.5175.6-165.871.941.100111.6R134 K136 E140 L141 E142R134-Q138 VanDerWaalsContact O-CB 3.27Å; R134-Q138 WeakPolarHBondContact O-CB 3.27Å; R134-Q138 PolarHBondContact O-N 3.2Å; K136-Q138 VanDerWaalsContact C-N 3.32Å; K136-Q138 PolarHBondContact O-N 3.49Å; Q138-E140 VanDerWaalsContact C-N 3.3Å; Q138-E140 PolarHBondContact O-N 3.2Å; Q138-L141 PolarHBondContact O-N 3.38Å; Q138-E142 PolarHBondContact O-N 2.85Å
139A94.9Very high91.6Very high58 Ų58112.2 Ų112.248%0.47954%0.543SS..Hα-helixtrans-67-32.2176.300000112.4T135 K136 L137T135-A139 WeakPolarHBondContact O-CB 3.45Å; T135-A139 PolarHBondContact O-N 3.45Å; K136-A139 PolarHBondContact O-N 3.17Å; L137-A139 PolarHBondContact O-N 3.06Å
140E93.4Very high91Very high94 Ų94114.5 Ų114.544%0.43955%0.55SS.*Hα-helixtrans-70.1-45.6173.5-176.9168.3-166.200111.8K136 L137 Q138 E142 K143 Y144K136-E140 PolarHBondContact O-N 3.38Å; L137-E140 PolarHBondContact O-N 2.88Å; Q138-E140 VanDerWaalsContact C-N 3.3Å; Q138-E140 PolarHBondContact O-N 3.2Å; E140-E142 VanDerWaalsContact C-N 3.29Å; E140-E142 PolarHBondContact O-N 3.45Å; E140-K143 VanDerWaalsContact O-CB 3.3Å; E140-K143 WeakPolarHBondContact O-CB 3.28Å; E140-K143 PolarHBondContact O-N 3.43Å; E140-K143 VanDerWaalsContact O-N 3.1Å; E140-Y144 HydrophobicContact CG-CE2 3.86Å; E140-Y144 WeakPolarHBondContact O-CD2 3.48Å
141L90.1Very high90.4Very high110 Ų110113.8 Ų113.858%0.57655%0.546SS*.Hα-helixtrans-59.3-38.6175.8-76.4172.4000112.6L137 Q138 K143 Y144 R145L137-L141 WeakPolarHBondContact O-CB 3.43Å; L137-L141 WeakPolarHBondContact O-CG 3.32Å; L137-L141 PolarHBondContact O-N 3.48Å; Q138-L141 PolarHBondContact O-N 3.38Å; L141-K143 PolarHBondContact O-N 3.38Å; L141-Y144 PolarHBondContact O-N 2.93Å; L141-R145 PolarHBondContact O-N 2.93Å
142E89.8Confident89.9Confident98 Ų98108.5 Ų108.546%0.45853%0.53SS..Hα-helixtrans-60.4-30.3177.9-167.963.4-158.700112.2Q138 E140 Y144 R145Q138-E142 PolarHBondContact O-N 2.85Å; E140-E142 VanDerWaalsContact C-N 3.29Å; E140-E142 PolarHBondContact O-N 3.45Å; E142-Y144 PolarHBondContact O-N 3.03Å; E142-R145 VanDerWaalsContact O-CB 3.3Å; E142-R145 WeakPolarHBondContact O-CB 3.43Å; E142-R145 PolarHBondContact O-N 2.9Å; E142-R145 WeakPolarHBondContact OE1-CD 3.3Å; E142-R145 IonicContact OE1-CZ 2.64Å; E142-R145 IonicContact OE1-NE 2.68Å; E142-R145 IonicContact OE1-NH1 3.59Å; E142-R145 PolarHBondContact OE1-NH1 3.41Å
143K89Confident89.6Confident163 Ų163109.6 Ų109.671%0.70953%0.533SS*.Hα-helixtrans-64-27.2175.1-60.4175.2-176.8176.20112.8E140 L141E140-K143 VanDerWaalsContact O-CB 3.3Å; E140-K143 WeakPolarHBondContact O-CB 3.28Å; E140-K143 PolarHBondContact O-N 3.43Å; E140-K143 VanDerWaalsContact O-N 3.1Å; L141-K143 PolarHBondContact O-N 3.38Å
144Y85.6Confident89.2Confident135 Ų135108.7 Ų108.753%0.52953%0.531SS..THydrogen-bonded Turntrans-101.39.2-177.4-58-71.2000112.8E140 L141 E142 E146 C147E140-Y144 HydrophobicContact CG-CE2 3.86Å; E140-Y144 WeakPolarHBondContact O-CD2 3.48Å; L141-Y144 PolarHBondContact O-N 2.93Å; E142-Y144 PolarHBondContact O-N 3.03Å; Y144-E146 VanDerWaalsContact C-N 3.26Å; Y144-E146 PolarHBondContact O-N 2.96Å; Y144-C147 CarbonylContact O-C 3.33Å; Y144-C147 WeakPolarHBondContact O-CA 3.49Å; Y144-C147 WeakPolarHBondContact O-CB 3.31Å; Y144-C147 PolarHBondContact O-N 3.31Å
145R82.1Confident88.8Confident160 Ų160105.5 Ų105.560%0.60453%0.525SS*.G310 helixtrans-58.1-36.9-176.2-177174.4174.8-161.6-3.6113.4L141 E142 C147 I151L141-R145 PolarHBondContact O-N 2.93Å; E142-R145 VanDerWaalsContact O-CB 3.3Å; E142-R145 WeakPolarHBondContact O-CB 3.43Å; E142-R145 PolarHBondContact O-N 2.9Å; E142-R145 WeakPolarHBondContact OE1-CD 3.3Å; E142-R145 IonicContact OE1-CZ 2.64Å; E142-R145 IonicContact OE1-NE 2.68Å; E142-R145 IonicContact OE1-NH1 3.59Å; E142-R145 PolarHBondContact OE1-NH1 3.41Å; R145-C147 VanDerWaalsContact C-N 3.28Å; R145-I151 WeakPolarHBondContact O-CD1 2.97Å
146E72.7Confident88.5Confident173 Ų173109.2 Ų109.281%0.80853%0.529SS*.G310 helixtrans-77.4-15.8177.5-62-176168.900113Y144 D148Y144-E146 VanDerWaalsContact C-N 3.26Å; Y144-E146 PolarHBondContact O-N 2.96Å; E146-D148 VanDerWaalsContact C-N 3.32Å
147C80.9Confident88.3Confident80 Ų80107.5 Ų107.554%0.54152%0.521SS..G310 helixtrans-94.615.6177.7-63.50000112.7Y144 R145 P149Y144-C147 CarbonylContact O-C 3.33Å; Y144-C147 WeakPolarHBondContact O-CA 3.49Å; Y144-C147 WeakPolarHBondContact O-CB 3.31Å; Y144-C147 PolarHBondContact O-N 3.31Å; R145-C147 VanDerWaalsContact C-N 3.28Å; C147-P149 WeakPolarHBondContact O-CD 3.35Å
148D82Confident88.2Confident67 Ų67107 Ų10736%0.35853%0.525SS..  trans-61123.9176.9-171-33.5000109.7E146 D150 I151 I152E146-D148 VanDerWaalsContact C-N 3.32Å; D148-D150 PolarHBondContact O-N 2.97Å; D148-D150 VanDerWaalsContact O-N 3.13Å; D148-D150 PolarHBondContact OD1-N 3.46Å; D148-I151 HydrophobicContact CB-CB 4.06Å; D148-I151 HydrophobicContact CB-CD1 3.78Å; D148-I151 HydrophobicContact CB-CG1 3.83Å; D148-I151 PolarHBondContact O-N 3.45Å; D148-I152 WeakPolarHBondContact O-CG1 3.3Å; D148-I152 PolarHBondContact O-N 3.24Å
149P87.5Confident88.1Confident97 Ų97106.4 Ų106.463%0.6353%0.525SS*.Hα-helixtrans-51.3-35.4179.1-28.435.4000114.1C147 K153C147-P149 WeakPolarHBondContact O-CD 3.35Å; P149-K153 WeakPolarHBondContact O-CB 3.5Å; P149-K153 PolarHBondContact O-N 2.9Å
150D85.6Confident88Confident107 Ų107107.6 Ų107.657%0.57253%0.526SS*.Hα-helixtrans-72.9-41.5179.8-73.9-31.6000111.3D148 K153 D154D148-D150 PolarHBondContact O-N 2.97Å; D148-D150 VanDerWaalsContact O-N 3.13Å; D148-D150 PolarHBondContact OD1-N 3.46Å; D150-K153 PolarHBondContact O-N 3.4Å; D150-D154 PolarHBondContact O-N 3.05Å
151I85.8Confident88.1Confident88 Ų88107.5 Ų107.545%0.45153%0.532SS..Hα-helixtrans-62.1-45.7173.5-62.8178.3000110.3R145 D148 K153 D154 M155R145-I151 WeakPolarHBondContact O-CD1 2.97Å; D148-I151 HydrophobicContact CB-CB 4.06Å; D148-I151 HydrophobicContact CB-CD1 3.78Å; D148-I151 HydrophobicContact CB-CG1 3.83Å; D148-I151 PolarHBondContact O-N 3.45Å; I151-K153 VanDerWaalsContact C-N 3.31Å; I151-K153 PolarHBondContact O-N 3.25Å; I151-D154 PolarHBondContact O-N 2.76Å; I151-M155 WeakPolarHBondContact O-CB 3.28Å; I151-M155 PolarHBondContact O-N 3.07Å
152I88.6Confident88.3Confident50 Ų50104.7 Ų104.726%0.25652%0.524SS..Hα-helixtrans-61-42.4176.9-67.4172.5000110.6D148 M155 R156D148-I152 WeakPolarHBondContact O-CG1 3.3Å; D148-I152 PolarHBondContact O-N 3.24Å; I152-M155 PolarHBondContact O-N 3.3Å; I152-R156 HydrophobicContact CG2-CG 4.49Å; I152-R156 WeakPolarHBondContact O-CB 3.38Å; I152-R156 VanDerWaalsContact O-CG 3.3Å; I152-R156 WeakPolarHBondContact O-CG 3.39Å; I152-R156 PolarHBondContact O-N 2.83Å
153K90.3Very high88.5Confident119 Ų119104.5 Ų104.552%0.51752%0.522SS..Hα-helixtrans-63.9-42.1179.2-175.7180-178.6-178.40111.5P149 D150 I151 R156 K157P149-K153 WeakPolarHBondContact O-CB 3.5Å; P149-K153 PolarHBondContact O-N 2.9Å; D150-K153 PolarHBondContact O-N 3.4Å; I151-K153 VanDerWaalsContact C-N 3.31Å; I151-K153 PolarHBondContact O-N 3.25Å; K153-R156 PolarHBondContact O-N 3.1Å; K153-K157 WeakPolarHBondContact O-CG 3.44Å; K153-K157 PolarHBondContact O-N 3.37Å
154D89.2Confident88.7Confident84 Ų84101.7 Ų101.745%0.44951%0.511SS..Hα-helixtrans-71.9-35.7178.4-74.3-14.6000112.4D150 I151 R156 K157 S158D150-D154 PolarHBondContact O-N 3.05Å; I151-D154 PolarHBondContact O-N 2.76Å; D154-R156 VanDerWaalsContact C-N 3.35Å; D154-K157 PolarHBondContact O-N 3.28Å; D154-K157 IonicContact OD1-NZ 2.56Å; D154-K157 PolarHBondContact OD1-NZ 2.86Å; D154-S158 WeakPolarHBondContact O-CB 3.48Å; D154-S158 PolarHBondContact O-N 3.22Å; D154-S158 PolarHBondContact O-OG 3.25Å
155M89.8Confident89.1Confident107 Ų10796.8 Ų96.853%0.52750%0.498SS..Hα-helixtrans-60.8-43.9169.6-172.8175.765.400111.2I151 I152 K157 S158 N159I151-M155 WeakPolarHBondContact O-CB 3.28Å; I151-M155 PolarHBondContact O-N 3.07Å; I152-M155 PolarHBondContact O-N 3.3Å; M155-K157 PolarHBondContact O-N 3.24Å; M155-S158 PolarHBondContact O-N 2.93Å; M155-N159 WeakPolarHBondContact O-CB 3.4Å; M155-N159 VanDerWaalsContact O-CG 3.24Å; M155-N159 PolarHBondContact O-N 3.35Å; M155-N159 PolarHBondContact O-OD1 3.22Å
156R92.4Very high89.7Confident171 Ų17191.6 Ų91.665%0.64549%0.485SS*.Hα-helixtrans-61.6-43.6176-75.3175.8-176.8-177.62.6112.5I152 K153 D154 S158 N159 V160I152-R156 HydrophobicContact CG2-CG 4.49Å; I152-R156 WeakPolarHBondContact O-CB 3.38Å; I152-R156 VanDerWaalsContact O-CG 3.3Å; I152-R156 WeakPolarHBondContact O-CG 3.39Å; I152-R156 PolarHBondContact O-N 2.83Å; K153-R156 PolarHBondContact O-N 3.1Å; D154-R156 VanDerWaalsContact C-N 3.35Å; R156-S158 VanDerWaalsContact C-N 3.34Å; R156-N159 PolarHBondContact O-N 3.36Å; R156-V160 WeakPolarHBondContact O-CG2 3.17Å; R156-V160 PolarHBondContact O-N 2.86Å; R156-V160 VanDerWaalsContact O-N 3.13Å
157K93.1Very high90.7Very high111 Ų11185.2 Ų85.248%0.48346%0.459SS..Hα-helixtrans-61-44.7175.2-69.4174.4-163.8152.60111.4K153 D154 M155 N159 V160 V161K153-K157 WeakPolarHBondContact O-CG 3.44Å; K153-K157 PolarHBondContact O-N 3.37Å; D154-K157 PolarHBondContact O-N 3.28Å; D154-K157 IonicContact OD1-NZ 2.56Å; D154-K157 PolarHBondContact OD1-NZ 2.86Å; M155-K157 PolarHBondContact O-N 3.24Å; K157-N159 VanDerWaalsContact C-N 3.3Å; K157-N159 PolarHBondContact O-N 2.96Å; K157-V160 PolarHBondContact O-N 2.91Å; K157-V161 PolarHBondContact O-N 2.86Å
158S93.1Very high91.4Very high74 Ų7487.9 Ų87.952%0.51746%0.458SS..Hα-helixtrans-62.5-39.3178.5-58.20000111.6D154 M155 R156 V160 V161 A162D154-S158 WeakPolarHBondContact O-CB 3.48Å; D154-S158 PolarHBondContact O-N 3.22Å; D154-S158 PolarHBondContact O-OG 3.25Å; M155-S158 PolarHBondContact O-N 2.93Å; R156-S158 VanDerWaalsContact C-N 3.34Å; S158-V160 VanDerWaalsContact C-N 3.34Å; S158-V160 PolarHBondContact O-N 2.87Å; S158-V161 PolarHBondContact O-N 2.9Å; S158-A162 WeakPolarHBondContact O-CB 3.44Å; S158-A162 PolarHBondContact O-N 3.44Å
159N93.4Very high92Very high89 Ų8992.9 Ų92.948%0.47647%0.472SS..Hα-helixtrans-63.1-37.5175.5-72.6-4.3000112.6M155 R156 K157 A162 K163M155-N159 WeakPolarHBondContact O-CB 3.4Å; M155-N159 VanDerWaalsContact O-CG 3.24Å; M155-N159 PolarHBondContact O-N 3.35Å; M155-N159 PolarHBondContact O-OD1 3.22Å; R156-N159 PolarHBondContact O-N 3.36Å; K157-N159 VanDerWaalsContact C-N 3.3Å; K157-N159 PolarHBondContact O-N 2.96Å; N159-A162 PolarHBondContact O-N 2.91Å; N159-K163 WeakPolarHBondContact O-CB 3.5Å; N159-K163 WeakPolarHBondContact O-CG 3.25Å; N159-K163 PolarHBondContact O-N 3.3Å
160V93.8Very high92.4Very high82 Ų8288.5 Ų88.550%0.49744%0.443SS..Hα-helixtrans-61.5-49.3175173.80000110.3R156 K157 S158 A162 K163 E164R156-V160 WeakPolarHBondContact O-CG2 3.17Å; R156-V160 PolarHBondContact O-N 2.86Å; R156-V160 VanDerWaalsContact O-N 3.13Å; K157-V160 PolarHBondContact O-N 2.91Å; S158-V160 VanDerWaalsContact C-N 3.34Å; S158-V160 PolarHBondContact O-N 2.87Å; V160-A162 VanDerWaalsContact C-N 3.32Å; V160-A162 PolarHBondContact O-N 2.88Å; V160-K163 PolarHBondContact O-N 2.81Å; V160-E164 WeakPolarHBondContact O-CG 3.48Å; V160-E164 PolarHBondContact O-N 2.92Å
161V94.6Very high92.8Very high93 Ų9386.8 Ų86.856%0.56443%0.434SS*.Hα-helixtrans-62-40.6178.4179.30000111.4K157 S158 E164 A165K157-V161 PolarHBondContact O-N 2.86Å; S158-V161 PolarHBondContact O-N 2.9Å; V161-E164 PolarHBondContact O-N 3.04Å; V161-A165 WeakPolarHBondContact O-CB 3.3Å; V161-A165 PolarHBondContact O-N 3.44Å
162A94.8Very high93.2Very high50 Ų5085.9 Ų85.941%0.41343%0.43SS..Hα-helixtrans-64.5-43.517700000111.9S158 N159 V160 A165 V166S158-A162 WeakPolarHBondContact O-CB 3.44Å; S158-A162 PolarHBondContact O-N 3.44Å; N159-A162 PolarHBondContact O-N 2.91Å; V160-A162 VanDerWaalsContact C-N 3.32Å; V160-A162 PolarHBondContact O-N 2.88Å; A162-A165 PolarHBondContact O-N 3.45Å; A162-V166 WeakPolarHBondContact O-CG2 3.39Å; A162-V166 PolarHBondContact O-N 3.39Å
163K93.5Very high93.4Very high94 Ų9485.6 Ų85.641%0.40943%0.431SS..Hα-helixtrans-60.3-47.7175-78.7-168.1170.4-149.20111.5N159 V160 A165 V166 S167 D205N159-K163 WeakPolarHBondContact O-CB 3.5Å; N159-K163 WeakPolarHBondContact O-CG 3.25Å; N159-K163 PolarHBondContact O-N 3.3Å; V160-K163 PolarHBondContact O-N 2.81Å; K163-A165 VanDerWaalsContact C-N 3.29Å; K163-A165 PolarHBondContact O-N 2.9Å; K163-V166 PolarHBondContact O-N 3.22Å; K163-S167 PolarHBondContact O-N 3.15Å; K163-S167 PolarHBondContact O-OG 2.88Å; K163-D205 PolarHBondContact NZ-O 3.36Å; K163-D205 PolarHBondContact NZ-OXT 3.5Å
164E93.5Very high93.6Very high105 Ų10583.2 Ų83.249%0.49142%0.42SS..Hα-helixtrans-60.8-38.5175.9-71.4177.2-174.400112.4V160 V161 R168V160-E164 WeakPolarHBondContact O-CG 3.48Å; V160-E164 PolarHBondContact O-N 2.92Å; V161-E164 PolarHBondContact O-N 3.04Å; E164-R168 WeakPolarHBondContact O-CB 3.29Å; E164-R168 PolarHBondContact O-N 3.3Å
165A94.6Very high93.7Very high31 Ų3182.1 Ų82.126%0.25642%0.423SS..Hα-helixtrans-65.8-42.1176.100000111.8V161 A162 K163 R168 W169V161-A165 WeakPolarHBondContact O-CB 3.3Å; V161-A165 PolarHBondContact O-N 3.44Å; A162-A165 PolarHBondContact O-N 3.45Å; K163-A165 VanDerWaalsContact C-N 3.29Å; K163-A165 PolarHBondContact O-N 2.9Å; A165-R168 PolarHBondContact O-N 3.06Å; A165-W169 PolarHBondContact O-N 3.35Å
166V95Very high93.8Very high52 Ų5282.1 Ų82.132%0.31542%0.424SS..Hα-helixtrans-59.7-51.4175170.50000110.1A162 K163 R168 W169 T170 M204A162-V166 WeakPolarHBondContact O-CG2 3.39Å; A162-V166 PolarHBondContact O-N 3.39Å; K163-V166 PolarHBondContact O-N 3.22Å; V166-R168 VanDerWaalsContact C-N 3.29Å; V166-R168 PolarHBondContact O-N 3.22Å; V166-W169 PolarHBondContact O-N 2.79Å; V166-W169 VanDerWaalsContact O-N 3.08Å; V166-T170 WeakPolarHBondContact O-CB 3.36Å; V166-T170 PolarHBondContact O-N 2.69Å; V166-T170 PolarHBondContact O-OG1 3.4Å; V166-T170 VanDerWaalsContact O-OG1 3.07Å; V166-M204 HydrophobicContact CB-CE 4.05Å; V166-M204 HydrophobicContact CG1-CE 3.95Å; V166-M204 HydrophobicContact CG1-CG 4.15Å; V166-M204 HydrophobicContact CG2-CE 3.81Å
167S93.7Very high93.7Very high39 Ų3975.3 Ų75.327%0.27340%0.399SS..Hα-helixtrans-57.2-42178.2-56.60000112.4K163 W169 T170 D171K163-S167 PolarHBondContact O-N 3.15Å; K163-S167 PolarHBondContact O-OG 2.88Å; S167-W169 PolarHBondContact O-N 2.91Å; S167-T170 WeakPolarHBondContact O-CB 3.31Å; S167-T170 PolarHBondContact O-N 3.39Å; S167-D171 VanDerWaalsContact O-CG 3.28Å; S167-D171 PolarHBondContact O-N 2.83Å
168R95.4Very high93.6Very high136 Ų13673.8 Ų73.851%0.51340%0.402SS..Hα-helixtrans-62.6-41.1176.5-175.4-178.9-63.1106.42.7112.6E164 A165 V166 N172E164-R168 WeakPolarHBondContact O-CB 3.29Å; E164-R168 PolarHBondContact O-N 3.3Å; A165-R168 PolarHBondContact O-N 3.06Å; V166-R168 VanDerWaalsContact C-N 3.29Å; V166-R168 PolarHBondContact O-N 3.22Å; R168-N172 VanDerWaalsContact O-CG 3.23Å; R168-N172 PolarHBondContact O-N 3.4Å; R168-N172 VanDerWaalsContact O-N 3.09Å; R168-N172 PolarHBondContact O-ND2 3.08Å
169W95.1Very high93.5Very high172 Ų17277.4 Ų77.465%0.65241%0.405SS*.Hα-helixtrans-73-34.9177.1-77113.1000111.9A165 V166 S167 N172 V173A165-W169 PolarHBondContact O-N 3.35Å; V166-W169 PolarHBondContact O-N 2.79Å; V166-W169 VanDerWaalsContact O-N 3.08Å; S167-W169 PolarHBondContact O-N 2.91Å; W169-N172 HydrophobicContact CE3-CB 4.26Å; W169-N172 PolarHBondContact O-N 2.95Å; W169-V173 VanDerWaalsContact O-CG2 3.3Å; W169-V173 WeakPolarHBondContact O-CG2 3.44Å; W169-V173 PolarHBondContact O-N 2.98Å
170T94.4Very high93.3Very high4 Ų474.1 Ų74.13%0.02539%0.387CS..Hα-helixtrans-58.3-47.1170.2-62.40000111V166 S167 N172 V173 F174 F201 Y203V166-T170 WeakPolarHBondContact O-CB 3.36Å; V166-T170 PolarHBondContact O-N 2.69Å; V166-T170 PolarHBondContact O-OG1 3.4Å; V166-T170 VanDerWaalsContact O-OG1 3.07Å; S167-T170 WeakPolarHBondContact O-CB 3.31Å; S167-T170 PolarHBondContact O-N 3.39Å; T170-N172 VanDerWaalsContact C-N 3.34Å; T170-N172 PolarHBondContact O-N 2.89Å; T170-V173 PolarHBondContact O-N 3.35Å; T170-F174 HydrophobicContact CG2-CD2 3.82Å; T170-F174 HydrophobicContact CG2-CE2 3.34Å; T170-F174 HydrophobicContact CG2-CZ 3.98Å; T170-F174 WeakPolarHBondContact O-CD2 3.46Å; T170-F174 PolarHBondContact O-N 2.91Å; T170-F201 HydrophobicContact CG2-CE1 3.88Å; T170-F201 HydrophobicContact CG2-CZ 4.33Å; T170-Y203 HydrophobicContact CG2-CD1 3.9Å; T170-Y203 HydrophobicContact CG2-CD2 4.45Å; T170-Y203 HydrophobicContact CG2-CE1 3.83Å; T170-Y203 HydrophobicContact CG2-CE2 4.38Å; T170-Y203 HydrophobicContact CG2-CG 4.22Å
171D94.9Very high93Very high72 Ų7275 Ų7539%0.38539%0.385SS..Hα-helixtrans-56.4-47.4173.6-69.1-26.4000111.8S167 V173 F174 A175 Y203S167-D171 VanDerWaalsContact O-CG 3.28Å; S167-D171 PolarHBondContact O-N 2.83Å; D171-V173 VanDerWaalsContact C-N 3.34Å; D171-V173 PolarHBondContact O-N 3.03Å; D171-F174 PolarHBondContact O-N 3.25Å; D171-A175 VanDerWaalsContact O-CB 3.3Å; D171-A175 WeakPolarHBondContact O-CB 3.41Å; D171-A175 PolarHBondContact O-N 3.37Å; D171-Y203 VanDerWaalsContact OD1-CE1 3.32Å; D171-Y203 WeakPolarHBondContact OD1-CE1 3.38Å; D171-Y203 VanDerWaalsContact OD1-CZ 3.28Å; D171-Y203 PolarHBondContact OD1-OH 3.09Å
172N95.1Very high92.8Very high68 Ų6879.4 Ų79.436%0.36440%0.396SS..Hα-helixtrans-61.9-42.2179.8-72.2-16.2000111.7R168 W169 T170 A175 I176R168-N172 VanDerWaalsContact O-CG 3.23Å; R168-N172 PolarHBondContact O-N 3.4Å; R168-N172 VanDerWaalsContact O-N 3.09Å; R168-N172 PolarHBondContact O-ND2 3.08Å; W169-N172 HydrophobicContact CE3-CB 4.26Å; W169-N172 PolarHBondContact O-N 2.95Å; T170-N172 VanDerWaalsContact C-N 3.34Å; T170-N172 PolarHBondContact O-N 2.89Å; N172-A175 PolarHBondContact O-N 3.46Å; N172-I176 WeakPolarHBondContact O-CB 3.3Å; N172-I176 VanDerWaalsContact O-CG1 3.28Å; N172-I176 WeakPolarHBondContact O-CG1 3.31Å; N172-I176 PolarHBondContact O-N 3.29Å
173V93Very high92.7Very high45 Ų4583.6 Ų83.627%0.27341%0.405SS..Hα-helixtrans-61.8-48.2176.6169.30000110.2W169 T170 D171 A175 I176 K177 I197 F201W169-V173 VanDerWaalsContact O-CG2 3.3Å; W169-V173 WeakPolarHBondContact O-CG2 3.44Å; W169-V173 PolarHBondContact O-N 2.98Å; T170-V173 PolarHBondContact O-N 3.35Å; D171-V173 VanDerWaalsContact C-N 3.34Å; D171-V173 PolarHBondContact O-N 3.03Å; V173-A175 PolarHBondContact O-N 3.28Å; V173-I176 PolarHBondContact O-N 3.01Å; V173-K177 VanDerWaalsContact O-CB 3.3Å; V173-K177 WeakPolarHBondContact O-CB 3.41Å; V173-K177 PolarHBondContact O-N 3.21Å; V173-I197 HydrophobicContact CG1-CD1 3.92Å; V173-F201 HydrophobicContact CB-CE1 4.17Å; V173-F201 HydrophobicContact CB-CZ 4.45Å; V173-F201 HydrophobicContact CG1-CE1 3.91Å; V173-F201 HydrophobicContact CG1-CZ 4.4Å; V173-F201 HydrophobicContact CG2-CZ 4.48Å
174F92.6Very high92.5Very high69 Ų6984.4 Ų84.430%0.30341%0.409SS..Hα-helixtrans-63.8-39.3177.5-68.6-37.2000112.8T170 D171 K177 S178 F201 Y203T170-F174 HydrophobicContact CG2-CD2 3.82Å; T170-F174 HydrophobicContact CG2-CE2 3.34Å; T170-F174 HydrophobicContact CG2-CZ 3.98Å; T170-F174 WeakPolarHBondContact O-CD2 3.46Å; T170-F174 PolarHBondContact O-N 2.91Å; D171-F174 PolarHBondContact O-N 3.25Å; F174-K177 PolarHBondContact O-N 2.9Å; F174-S178 VanDerWaalsContact O-CB 3.31Å; F174-S178 WeakPolarHBondContact O-CB 3.34Å; F174-S178 PolarHBondContact O-N 2.87Å; F174-F201 AromaticContact CE1-CD1 3.91Å; F174-F201 HydrophobicContact CE1-CD1 3.91Å; F174-F201 HydrophobicContact CE1-CE1 4.28Å; F174-F201 AromaticContact CZ-CD1 3.98Å; F174-F201 HydrophobicContact CZ-CD1 3.98Å; F174-F201 HydrophobicContact CZ-CE1 4.27Å; F174-Y203 HydrophobicContact CE2-CE2 4.09Å
175A93.2Very high92.2Very high60 Ų6084.4 Ų84.450%0.49642%0.42SS..Hα-helixtrans-63.4-46.6176.900000112D171 N172 V173 S178 W179D171-A175 VanDerWaalsContact O-CB 3.3Å; D171-A175 WeakPolarHBondContact O-CB 3.41Å; D171-A175 PolarHBondContact O-N 3.37Å; N172-A175 PolarHBondContact O-N 3.46Å; V173-A175 PolarHBondContact O-N 3.28Å; A175-S178 PolarHBondContact O-N 3.47Å; A175-W179 WeakPolarHBondContact O-CB 3.41Å; A175-W179 PolarHBondContact O-N 3.25Å
176I90.7Very high91.8Very high107 Ų10788 Ų8855%0.54943%0.431SS..Hα-helixtrans-64.3-43.1177.3-68.4167.7000110.5N172 V173 W179 T180N172-I176 WeakPolarHBondContact O-CB 3.3Å; N172-I176 VanDerWaalsContact O-CG1 3.28Å; N172-I176 WeakPolarHBondContact O-CG1 3.31Å; N172-I176 PolarHBondContact O-N 3.29Å; V173-I176 PolarHBondContact O-N 3.01Å; I176-W179 PolarHBondContact O-N 3.4Å; I176-T180 VanDerWaalsContact O-CB 3.32Å; I176-T180 WeakPolarHBondContact O-CB 3.45Å; I176-T180 PolarHBondContact O-N 2.89Å; I176-T180 PolarHBondContact O-OG1 3.23Å
177K90.1Very high91.3Very high29 Ų2991.4 Ų91.413%0.12645%0.447CS..Hα-helixtrans-59.3-48176.8-178175.5170.9-1750111.3V173 F174 T180 K181 D188 I191 N192V173-K177 VanDerWaalsContact O-CB 3.3Å; V173-K177 WeakPolarHBondContact O-CB 3.41Å; V173-K177 PolarHBondContact O-N 3.21Å; F174-K177 PolarHBondContact O-N 2.9Å; K177-T180 PolarHBondContact O-N 3.3Å; K177-K181 WeakPolarHBondContact O-CB 3.49Å; K177-K181 PolarHBondContact O-N 3.45Å; K177-D188 WeakPolarHBondContact CE-OD2 3.3Å; K177-D188 IonicContact NZ-OD2 2.76Å; K177-D188 PolarHBondContact NZ-OD2 3.36Å; K177-I191 HydrophobicContact CG-CD1 4.44Å; K177-I191 HydrophobicContact CG-CG2 4.18Å; K177-N192 WeakPolarHBondContact CE-OD1 3.47Å; K177-N192 PolarHBondContact NZ-ND2 2.98Å; K177-N192 PolarHBondContact NZ-OD1 2.88Å
178S90.4Very high90.9Very high78 Ų7892.4 Ų92.455%0.54545%0.449SS..Hα-helixtrans-61.6-44.7177.4-1770000112.6F174 A175 K182F174-S178 VanDerWaalsContact O-CB 3.31Å; F174-S178 WeakPolarHBondContact O-CB 3.34Å; F174-S178 PolarHBondContact O-N 2.87Å; A175-S178 PolarHBondContact O-N 3.47Å; S178-K182 PolarHBondContact O-N 3.2Å
179W92.4Very high90.4Very high151 Ų15190.2 Ų90.257%0.57246%0.455SS*.Hα-helixtrans-64-43.8176.7177.387.3000112.4A175 I176 K181 K182 K183 F184A175-W179 WeakPolarHBondContact O-CB 3.41Å; A175-W179 PolarHBondContact O-N 3.25Å; I176-W179 PolarHBondContact O-N 3.4Å; W179-K181 PolarHBondContact O-N 3.4Å; W179-K182 PolarHBondContact O-N 3.13Å; W179-K182 VanDerWaalsContact O-N 3.17Å; W179-K183 HydrophobicContact CD2-CB 4.42Å; W179-K183 HydrophobicContact CH2-CG 4.25Å; W179-K183 HydrophobicContact CZ2-CB 4.25Å; W179-K183 HydrophobicContact CZ2-CG 3.95Å; W179-K183 WeakPolarHBondContact O-CB 3.46Å; W179-K183 PolarHBondContact O-N 3.33Å; W179-F184 AromaticContact CH2-CE2 3.8Å; W179-F184 HydrophobicContact CH2-CE2 3.8Å; W179-F184 HydrophobicContact CH2-CZ 4.23Å; W179-F184 AromaticContact CZ3-CE2 3.71Å; W179-F184 HydrophobicContact CZ3-CE2 3.71Å
180T89.1Confident90Very high19 Ų1985.7 Ų85.712%0.11745%0.448CS..Hα-helixtrans-61.6-45.3179.9-56.70000110.8I176 K177 K182 K183 F184 F186 I191I176-T180 VanDerWaalsContact O-CB 3.32Å; I176-T180 WeakPolarHBondContact O-CB 3.45Å; I176-T180 PolarHBondContact O-N 2.89Å; I176-T180 PolarHBondContact O-OG1 3.23Å; K177-T180 PolarHBondContact O-N 3.3Å; T180-K182 VanDerWaalsContact C-N 3.35Å; T180-K182 PolarHBondContact O-N 3.44Å; T180-K183 PolarHBondContact O-N 2.89Å; T180-F184 HydrophobicContact CG2-CD2 4.04Å; T180-F184 PolarHBondContact O-N 2.9Å; T180-F186 HydrophobicContact CG2-CD2 3.93Å; T180-I191 HydrophobicContact CG2-CD1 4.06Å; T180-I191 HydrophobicContact CG2-CG1 4.5Å
181K88.1Confident89.6Confident102 Ų10285.9 Ų85.944%0.44345%0.449SS..Hα-helixtrans-56.4-47.4172.9-178.9178.6-164.5161.50111.8K177 W179 S185 D188 I191K177-K181 WeakPolarHBondContact O-CB 3.49Å; K177-K181 PolarHBondContact O-N 3.45Å; W179-K181 PolarHBondContact O-N 3.4Å; K181-S185 VanDerWaalsContact O-CA 3.24Å; K181-S185 WeakPolarHBondContact O-CA 3.5Å; K181-S185 PolarHBondContact O-N 3.27Å; K181-D188 VanDerWaalsContact CD-OD1 3.31Å; K181-D188 WeakPolarHBondContact CD-OD1 3.38Å; K181-D188 WeakPolarHBondContact CE-OD1 3.44Å; K181-D188 IonicContact NZ-OD1 2.79Å; K181-D188 PolarHBondContact NZ-OD1 2.72Å; K181-I191 HydrophobicContact CB-CD1 4.42Å
182K90.2Very high89.4Confident185 Ų18583.7 Ų83.780%0.80444%0.438SS*.Hα-helixtrans-68.5-36.1-178.8-172.2174.5-179177.20113.2S178 W179 T180S178-K182 PolarHBondContact O-N 3.2Å; W179-K182 PolarHBondContact O-N 3.13Å; W179-K182 VanDerWaalsContact O-N 3.17Å; T180-K182 VanDerWaalsContact C-N 3.35Å; T180-K182 PolarHBondContact O-N 3.44Å
183K92.1Very high89.1Confident138 Ų13889.1 Ų89.160%0.646%0.458SS*.Hα-helixtrans-85.3-37-173.3-174.462.6176.4-179.40113.3W179 T180W179-K183 HydrophobicContact CD2-CB 4.42Å; W179-K183 HydrophobicContact CH2-CG 4.25Å; W179-K183 HydrophobicContact CZ2-CB 4.25Å; W179-K183 HydrophobicContact CZ2-CG 3.95Å; W179-K183 WeakPolarHBondContact O-CB 3.46Å; W179-K183 PolarHBondContact O-N 3.33Å; T180-K183 PolarHBondContact O-N 2.89Å
184F90Very high89Confident111 Ų11190.5 Ų90.549%0.48747%0.474SS..Hα-helixtrans-117-0.7-172.5-57.3-75000113.8W179 T180 F186W179-F184 AromaticContact CH2-CE2 3.8Å; W179-F184 HydrophobicContact CH2-CE2 3.8Å; W179-F184 HydrophobicContact CH2-CZ 4.23Å; W179-F184 AromaticContact CZ3-CE2 3.71Å; W179-F184 HydrophobicContact CZ3-CE2 3.71Å; T180-F184 HydrophobicContact CG2-CD2 4.04Å; T180-F184 PolarHBondContact O-N 2.9Å; F184-F186 HydrophobicContact CB-CD2 3.96Å; F184-F186 HydrophobicContact CB-CE1 4.49Å; F184-F186 HydrophobicContact CB-CE2 3.9Å; F184-F186 HydrophobicContact CB-CG 4.28Å; F184-F186 HydrophobicContact CB-CZ 4.18Å; F184-F186 HydrophobicContact CG-CE2 4.43Å; F184-F186 PolarHBondContact O-N 2.96Å
185S86Confident88.8Confident104 Ų10494.8 Ų94.873%0.72749%0.493SS*.  trans57.732.1179.8-57.90000114.1K181K181-S185 VanDerWaalsContact O-CA 3.24Å; K181-S185 WeakPolarHBondContact O-CA 3.5Å; K181-S185 PolarHBondContact O-N 3.27Å
186F86.4Confident88.7Confident108 Ų10894.9 Ų94.947%0.47450%0.499SS..  trans-79.2147173.4-67.4-30.3000112.3T180 F184 I191T180-F186 HydrophobicContact CG2-CD2 3.93Å; F184-F186 HydrophobicContact CB-CD2 3.96Å; F184-F186 HydrophobicContact CB-CE1 4.49Å; F184-F186 HydrophobicContact CB-CE2 3.9Å; F184-F186 HydrophobicContact CB-CG 4.28Å; F184-F186 HydrophobicContact CB-CZ 4.18Å; F184-F186 HydrophobicContact CG-CE2 4.43Å; F184-F186 PolarHBondContact O-N 2.96Å; F186-I191 HydrophobicContact CB-CD1 4Å; F186-I191 HydrophobicContact CB-CG1 3.93Å
187D85.4Confident88.7Confident123 Ų12391.4 Ų91.466%0.65848%0.481SS*.  trans-77.9144.9173.5-67.9-40.3000112.2S189 C190 I191D187-S189 VanDerWaalsContact C-N 3.28Å; D187-S189 PolarHBondContact O-N 2.9Å; D187-C190 WeakPolarHBondContact O-CB 3.42Å; D187-C190 PolarHBondContact O-N 3.44Å; D187-I191 PolarHBondContact O-N 2.94Å; D187-I191 VanDerWaalsContact O-N 3.12Å
188D83.4Confident88.8Confident59 Ų5993.1 Ų93.132%0.31650%0.496SS..Hα-helixtrans-54.2-40.7-179.6-86.748.5000113.2K177 K181 C190 I191 N192K177-D188 WeakPolarHBondContact CE-OD2 3.3Å; K177-D188 IonicContact NZ-OD2 2.76Å; K177-D188 PolarHBondContact NZ-OD2 3.36Å; K181-D188 VanDerWaalsContact CD-OD1 3.31Å; K181-D188 WeakPolarHBondContact CD-OD1 3.38Å; K181-D188 WeakPolarHBondContact CE-OD1 3.44Å; K181-D188 IonicContact NZ-OD1 2.79Å; K181-D188 PolarHBondContact NZ-OD1 2.72Å; D188-C190 VanDerWaalsContact C-N 3.32Å; D188-C190 PolarHBondContact O-N 2.89Å; D188-I191 PolarHBondContact O-N 3.42Å; D188-N192 WeakPolarHBondContact O-CB 3.4Å; D188-N192 VanDerWaalsContact O-CG 3.31Å; D188-N192 PolarHBondContact O-N 3.36Å; D188-N192 PolarHBondContact O-OD1 2.83Å
189S85.9Confident88.5Confident91 Ų9198.7 Ų98.764%0.63651%0.513SS*.Hα-helixtrans-64.5-37.2178.9-179.90000111.8D187 K193D187-S189 VanDerWaalsContact C-N 3.28Å; D187-S189 PolarHBondContact O-N 2.9Å; S189-K193 VanDerWaalsContact O-CB 3.25Å; S189-K193 WeakPolarHBondContact O-CB 3.49Å; S189-K193 PolarHBondContact O-N 3.35Å
190C85.8Confident88.4Confident76 Ų7698.2 Ų98.251%0.51452%0.522SS..Hα-helixtrans-68.3-43.7177.1-172.40000111.2D187 D188 A194D187-C190 WeakPolarHBondContact O-CB 3.42Å; D187-C190 PolarHBondContact O-N 3.44Å; D188-C190 VanDerWaalsContact C-N 3.32Å; D188-C190 PolarHBondContact O-N 2.89Å; C190-A194 VanDerWaalsContact O-CB 3.3Å; C190-A194 WeakPolarHBondContact O-CB 3.32Å; C190-A194 PolarHBondContact O-N 3.31Å
191I87.7Confident88.5Confident9 Ų9100.6 Ų100.65%0.04653%0.531CS..Hα-helixtrans-64.6-48.6177.6-60.1171.1000110.2K177 T180 K181 F186 D187 D188 K193 A194 F195K177-I191 HydrophobicContact CG-CD1 4.44Å; K177-I191 HydrophobicContact CG-CG2 4.18Å; T180-I191 HydrophobicContact CG2-CD1 4.06Å; T180-I191 HydrophobicContact CG2-CG1 4.5Å; K181-I191 HydrophobicContact CB-CD1 4.42Å; F186-I191 HydrophobicContact CB-CD1 4Å; F186-I191 HydrophobicContact CB-CG1 3.93Å; D187-I191 PolarHBondContact O-N 2.94Å; D187-I191 VanDerWaalsContact O-N 3.12Å; D188-I191 PolarHBondContact O-N 3.42Å; I191-K193 PolarHBondContact O-N 3.07Å; I191-A194 PolarHBondContact O-N 2.99Å; I191-F195 HydrophobicContact CG2-CD2 3.88Å; I191-F195 HydrophobicContact CG2-CE2 4.24Å; I191-F195 WeakPolarHBondContact O-CD2 3.45Å; I191-F195 PolarHBondContact O-N 2.48Å
192N90Very high88.6Confident26 Ų26100.6 Ų100.614%0.13954%0.536CS..Hα-helixtrans-59.4-45.7179.9-78.77.9000111.6K177 D188 A194 G196 I197K177-N192 WeakPolarHBondContact CE-OD1 3.47Å; K177-N192 PolarHBondContact NZ-ND2 2.98Å; K177-N192 PolarHBondContact NZ-OD1 2.88Å; D188-N192 WeakPolarHBondContact O-CB 3.4Å; D188-N192 VanDerWaalsContact O-CG 3.31Å; D188-N192 PolarHBondContact O-N 3.36Å; D188-N192 PolarHBondContact O-OD1 2.83Å; N192-A194 PolarHBondContact O-N 3.13Å; N192-G196 CarbonylContact O-C 3.57Å; N192-G196 WeakPolarHBondContact O-CA 3.46Å; N192-G196 PolarHBondContact O-N 3.25Å; N192-I197 HydrophobicContact CB-CB 4.23Å; N192-I197 PolarHBondContact O-N 2.9Å
193K89.4Confident88.6Confident181 Ų18196.9 Ų96.979%0.78752%0.517SS*.Hα-helixtrans-64.3-38.8177.2-173.5176.9-179.3178.70112.7S189 I191S189-K193 VanDerWaalsContact O-CB 3.25Å; S189-K193 WeakPolarHBondContact O-CB 3.49Å; S189-K193 PolarHBondContact O-N 3.35Å; I191-K193 PolarHBondContact O-N 3.07Å
194A89.3Confident88.2Confident75 Ų7595.4 Ų95.462%0.6251%0.514SS*.Hα-helixtrans-68.9-38.1-178.800000113C190 I191 N192C190-A194 VanDerWaalsContact O-CB 3.3Å; C190-A194 WeakPolarHBondContact O-CB 3.32Å; C190-A194 PolarHBondContact O-N 3.31Å; I191-A194 PolarHBondContact O-N 2.99Å; N192-A194 PolarHBondContact O-N 3.13Å
195F89.3Confident87.4Confident159 Ų15999.9 Ų99.970%0.69754%0.543SS*.Hα-helixtrans-99.52.4-179.3-67.4-74.2000114I191 I197I191-F195 HydrophobicContact CG2-CD2 3.88Å; I191-F195 HydrophobicContact CG2-CE2 4.24Å; I191-F195 WeakPolarHBondContact O-CD2 3.45Å; I191-F195 PolarHBondContact O-N 2.48Å; F195-I197 VanDerWaalsContact C-N 3.33Å; F195-I197 HydrophobicContact CB-CD1 4.18Å; F195-I197 HydrophobicContact CB-CG1 4.07Å; F195-I197 PolarHBondContact O-N 3.02Å
196G91.3Very high87.4Confident61 Ų6199.7 Ų99.763%0.62953%0.533SS*.THydrogen-bonded Turntrans64.933.6-179.700000113.6N192 P198N192-G196 CarbonylContact O-C 3.57Å; N192-G196 WeakPolarHBondContact O-CA 3.46Å; N192-G196 PolarHBondContact O-N 3.25Å; G196-P198 VanDerWaalsContact O-CD 3.32Å; G196-P198 WeakPolarHBondContact O-CD 3.47Å
197I91.4Very high87.5Confident34 Ų3499.2 Ų99.217%0.17454%0.537CS..  trans-80.8117177.8-56.7170.2000108.3V173 N192 F195 F201V173-I197 HydrophobicContact CG1-CD1 3.92Å; N192-I197 HydrophobicContact CB-CB 4.23Å; N192-I197 PolarHBondContact O-N 2.9Å; F195-I197 VanDerWaalsContact C-N 3.33Å; F195-I197 HydrophobicContact CB-CD1 4.18Å; F195-I197 HydrophobicContact CB-CG1 4.07Å; F195-I197 PolarHBondContact O-N 3.02Å; I197-F201 HydrophobicContact CG2-CB 3.82Å; I197-F201 HydrophobicContact CG2-CD1 4.11Å; I197-F201 HydrophobicContact CG2-CG 3.93Å
198P91Very high87.6Confident66 Ų6697.9 Ų97.943%0.42953%0.53SS..  trans-60156.8176.8-23.334.4000113G196 D200 F201G196-P198 VanDerWaalsContact O-CD 3.32Å; G196-P198 WeakPolarHBondContact O-CD 3.47Å; P198-D200 VanDerWaalsContact C-N 3.3Å; P198-D200 WeakPolarHBondContact CB-OD1 3.43Å; P198-F201 HydrophobicContact CB-CB 4.4Å; P198-F201 VanDerWaalsContact O-CB 3.29Å; P198-F201 WeakPolarHBondContact O-CB 3.21Å; P198-F201 PolarHBondContact O-N 3.49Å
199E85.1Confident87.8Confident195 Ų195100.2 Ų100.291%0.91154%0.543SS*.THydrogen-bonded Turntrans-71.8-27.4177.4-67.9-172169.300112.7F201E199-F201 VanDerWaalsContact C-N 3.31Å
200D89.4Confident88Confident141 Ų141100.8 Ų100.875%0.75454%0.537SS*.THydrogen-bonded Turntrans-91.714.4175.463.4-29.2000112.9P198 D202P198-D200 VanDerWaalsContact C-N 3.3Å; P198-D200 WeakPolarHBondContact CB-OD1 3.43Å; D200-D202 PolarHBondContact O-N 2.79Å; D200-D202 VanDerWaalsContact O-N 3.1Å
201F90.9Very high88.1Confident69 Ų69102.4 Ų102.430%0.30354%0.538SS..  trans-68.7108.8176.9-176-93.7000110.6T170 V173 F174 I197 P198 E199T170-F201 HydrophobicContact CG2-CE1 3.88Å; T170-F201 HydrophobicContact CG2-CZ 4.33Å; V173-F201 HydrophobicContact CB-CE1 4.17Å; V173-F201 HydrophobicContact CB-CZ 4.45Å; V173-F201 HydrophobicContact CG1-CE1 3.91Å; V173-F201 HydrophobicContact CG1-CZ 4.4Å; V173-F201 HydrophobicContact CG2-CZ 4.48Å; F174-F201 AromaticContact CE1-CD1 3.91Å; F174-F201 HydrophobicContact CE1-CD1 3.91Å; F174-F201 HydrophobicContact CE1-CE1 4.28Å; F174-F201 AromaticContact CZ-CD1 3.98Å; F174-F201 HydrophobicContact CZ-CD1 3.98Å; F174-F201 HydrophobicContact CZ-CE1 4.27Å; I197-F201 HydrophobicContact CG2-CB 3.82Å; I197-F201 HydrophobicContact CG2-CD1 4.11Å; I197-F201 HydrophobicContact CG2-CG 3.93Å; P198-F201 HydrophobicContact CB-CB 4.4Å; P198-F201 VanDerWaalsContact O-CB 3.29Å; P198-F201 WeakPolarHBondContact O-CB 3.21Å; P198-F201 PolarHBondContact O-N 3.49Å; E199-F201 VanDerWaalsContact C-N 3.31Å
202D90.9Very high88.1Confident102 Ų102109.1 Ų109.155%0.54557%0.573SS.*  trans-146.7-178.4179.5-151.9-9.9000111.2D200D200-D202 PolarHBondContact O-N 2.79Å; D200-D202 VanDerWaalsContact O-N 3.1Å
203Y90.4Very high88Confident106 Ų106115.5 Ų115.542%0.41661%0.607SS.*  trans-60.4146.3172-60-84.6000111.4T170 D171 F174T170-Y203 HydrophobicContact CG2-CD1 3.9Å; T170-Y203 HydrophobicContact CG2-CD2 4.45Å; T170-Y203 HydrophobicContact CG2-CE1 3.83Å; T170-Y203 HydrophobicContact CG2-CE2 4.38Å; T170-Y203 HydrophobicContact CG2-CG 4.22Å; D171-Y203 VanDerWaalsContact OD1-CE1 3.32Å; D171-Y203 WeakPolarHBondContact OD1-CE1 3.38Å; D171-Y203 VanDerWaalsContact OD1-CZ 3.28Å; D171-Y203 PolarHBondContact OD1-OH 3.09Å; F174-Y203 HydrophobicContact CE2-CE2 4.09Å
204M83.9Confident87.9Confident108 Ų108110 Ų11053%0.53259%0.592SS.*  trans-83.2131.7170-67.4-160.9-53.200110.4V166V166-M204 HydrophobicContact CB-CE 4.05Å; V166-M204 HydrophobicContact CG1-CE 3.95Å; V166-M204 HydrophobicContact CG1-CG 4.15Å; V166-M204 HydrophobicContact CG2-CE 3.81Å
205D71.7Confident87.7Confident204 Ų204113.2 Ų113.2100%1.09159%0.589SS**  trans-64.90167.8-65.9-37000112.5K163K163-D205 PolarHBondContact NZ-O 3.36Å; K163-D205 PolarHBondContact NZ-OXT 3.5Å

Retrieved 205 of 205 residues in 104 ms (Link to these results)

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