A0A080YUZ6_HUMAN Loading...

Epididymis secretory sperm binding protein Li 6a

AlphaFold DB (O75951), UniProt , Accession A0A080YUZ6, Species HUMAN (Homo sapiens, Human), Gene LYZB, Length 148 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
1M43.9Very low58Low240 Ų240153.2 Ų153.2100%1.18282%0.816SS**  099.50-64.1172.777.900107.8K3M1-K3 PolarHBondContact O-N 3.16Å
2T48Very low58.5Low147 Ų147147.8 Ų147.890%0.90280%0.8SS**  trans-78.8105.1-174.733.50000110.1
3K50.2Low58.8Low200 Ų200151.8 Ų151.887%0.8781%0.805SS**  trans-88.6112.2169.3-77.9-174.4173.6-177.70108.3M1 L5M1-K3 PolarHBondContact O-N 3.16Å; K3-L5 PolarHBondContact O-N 2.83Å
4A56.8Low59Low88 Ų88151.1 Ų151.173%0.72780%0.801SS**  trans-56.7127.6178.800000111L6A4-L6 PolarHBondContact O-N 2.62Å
5L58.5Low59.3Low162 Ų162146.5 Ų146.585%0.84879%0.793SS**  trans-71.9110.2171-80.592.2000108.6K3 I7K3-L5 PolarHBondContact O-N 2.83Å; L5-I7 PolarHBondContact O-N 2.77Å
6L57.5Low59.2Low127 Ų127146.1 Ų146.167%0.66579%0.789SS**  trans-68.1111.6167.4-92.485.8000108.8A4 Y8A4-L6 PolarHBondContact O-N 2.62Å; L6-Y8 HydrophobicContact CB-CE2 4Å; L6-Y8 PolarHBondContact O-N 3.03Å
7I65.3Low59.1Low149 Ų149147.1 Ų147.176%0.76479%0.794SS**  trans-86.6104.9173.3-60.5166.9000107.2L5 L9L5-I7 PolarHBondContact O-N 2.77Å; I7-L9 PolarHBondContact O-N 3.1Å
8Y62.2Low59Low188 Ų188147.8 Ų147.874%0.73779%0.791SS**  trans-77107.1174.2-67.5-88.9000109.2L6 V10L6-Y8 HydrophobicContact CB-CE2 4Å; L6-Y8 PolarHBondContact O-N 3.03Å; Y8-V10 VanDerWaalsContact C-N 3.32Å; Y8-V10 PolarHBondContact O-N 2.99Å
9L61.1Low59.3Low167 Ų167142.6 Ų142.687%0.87477%0.771SS**  trans-72.487.3169.5-88.7145.5000108.8I7 S11I7-L9 PolarHBondContact O-N 3.1Å; L9-S11 PolarHBondContact O-N 3.22Å
10V66.6Low60.7Low121 Ų121138.2 Ų138.273%0.73375%0.752SS**  trans-73.7103.3170.4178.80000107.4Y8 S12Y8-V10 VanDerWaalsContact C-N 3.32Å; Y8-V10 PolarHBondContact O-N 2.99Å; V10-S12 PolarHBondContact O-N 3.3Å
11S67.6Low62.4Low96 Ų96137 Ų13767%0.67174%0.744SS**  trans-69.993.3169.743.50000108.8L9 F13L9-S11 PolarHBondContact O-N 3.22Å; S11-F13 PolarHBondContact O-N 2.98Å
12S64.8Low64.9Low89 Ų89126.9 Ų126.962%0.62269%0.694SS**  trans-66.1100.7171.232.10000108.9V10 L14V10-S12 PolarHBondContact O-N 3.3Å; S12-L14 PolarHBondContact O-N 3.1Å
13F62Low67.3Low199 Ų199122.5 Ų122.587%0.87367%0.67SS**  trans-61.189.3157.2-79-89.7000106.6S11 A15S11-F13 PolarHBondContact O-N 2.98Å; F13-A15 PolarHBondContact O-N 2.84Å
14L62.3Low69.5Low142 Ų142116.4 Ų116.474%0.74364%0.641SS**  trans-64.993.2164.2-68169.5000105.1S12 L16S12-L14 PolarHBondContact O-N 3.1Å; L14-L16 PolarHBondContact O-N 3.44Å
15A62.7Low71.5Confident82 Ų82114 Ų11468%0.67862%0.618SS**  trans-58.996.8161.200000105F13 N17F13-A15 PolarHBondContact O-N 2.84Å; A15-N17 VanDerWaalsContact C-N 3.31Å; A15-N17 PolarHBondContact O-N 3.15Å
16L57.8Low73.4Confident141 Ų141110.3 Ų110.374%0.73860%0.6SS**  trans-58.9107.9167.1-78.4101.6000104.3L14 Q18L14-L16 PolarHBondContact O-N 3.44Å; L16-Q18 PolarHBondContact O-N 3.37Å
17N57.5Low75.3Confident162 Ų162104.3 Ų104.387%0.86657%0.568SS**  trans-65.670.9165.3-76.9-34.6000106.6A15 A19A15-N17 VanDerWaalsContact C-N 3.31Å; A15-N17 PolarHBondContact O-N 3.15Å; N17-A19 PolarHBondContact O-N 3.25Å
18Q57.6Low76.9Confident160 Ų16097.2 Ų97.275%0.74853%0.532SS*.  trans-69107.7177-152.71665700104.2L16 S20L16-Q18 PolarHBondContact O-N 3.37Å; Q18-S20 PolarHBondContact O-N 3.03Å; Q18-S20 VanDerWaalsContact O-N 3.13Å
19A64.2Low78.6Confident49 Ų4992.4 Ų92.441%0.40552%0.516SS..  trans-47.6126169.600000107N17 L21N17-A19 PolarHBondContact O-N 3.25Å; A19-L21 HydrophobicContact CB-CG 4.17Å; A19-L21 PolarHBondContact O-N 3.34Å
20S86.9Confident80.4Confident55 Ų5586.4 Ų86.439%0.38549%0.486SS..  trans-76.273.8-175.5-64.60000108.3Q18 I59Q18-S20 PolarHBondContact O-N 3.03Å; Q18-S20 VanDerWaalsContact O-N 3.13Å; S20-I59 VanDerWaalsContact O-CB 3.23Å; S20-I59 WeakPolarHBondContact O-CB 3.4Å; S20-I59 WeakPolarHBondContact O-CD1 3.43Å; S20-I59 WeakPolarHBondContact O-CG1 3.42Å; S20-I59 PolarHBondContact O-N 3.09Å
21L96.3Very high82Confident114 Ų11480.6 Ų80.660%0.59745%0.451SS*.BIsolated β-bridgetrans-81.6125.4-179.8-67.7171.6000109.2A19 F57 N58A19-L21 HydrophobicContact CB-CG 4.17Å; A19-L21 PolarHBondContact O-N 3.34Å; L21-F57 WeakPolarHBondContact CA-O 3.32Å; L21-N58 HydrophobicContact CD2-CB 3.88Å
22I97.7Very high83.4Confident26 Ų2678.7 Ų78.713%0.13343%0.432CS..PPolyproline II helixtrans-92.5141.5167.7-170.5164.9000110D26 L27 F57 I59 L74 L106I22-D26 HydrophobicContact CD1-CB 4.3Å; I22-D26 HydrophobicContact CG1-CB 3.98Å; I22-L27 HydrophobicContact CD1-CB 3.86Å; I22-L27 HydrophobicContact CD1-CD1 4.24Å; I22-L27 HydrophobicContact CG1-CB 4.05Å; I22-L27 HydrophobicContact CG2-CB 4.09Å; I22-L27 HydrophobicContact CG2-CD2 4.3Å; I22-F57 HydrophobicContact CG2-CB 3.95Å; I22-F57 PolarHBondContact N-O 3.22Å; I22-F57 WeakPolarHBondContact O-CB 3.44Å; I22-I59 HydrophobicContact CB-CD1 3.75Å; I22-I59 HydrophobicContact CB-CG1 4.11Å; I22-I59 HydrophobicContact CG2-CD1 4.2Å; I22-I59 HydrophobicContact CG2-CG1 4Å; I22-L74 HydrophobicContact CG2-CD1 4.02Å; I22-L106 HydrophobicContact CD1-CD1 3.64Å
23S97.2Very high85Confident55 Ų5580.1 Ų80.139%0.38543%0.432SS..PPolyproline II helixtrans-72.5151.2173.791.40000110.5C25 D26 L27S23-C25 VanDerWaalsContact C-N 3.26Å; S23-C25 PolarHBondContact O-N 3.28Å; S23-D26 WeakPolarHBondContact CB-OD2 3.49Å; S23-D26 PolarHBondContact O-N 2.96Å; S23-D26 WeakPolarHBondContact OG-CB 3.37Å; S23-D26 PolarHBondContact OG-N 2.98Å; S23-D26 VanDerWaalsContact OG-N 3.16Å; S23-D26 PolarHBondContact OG-OD2 3.29Å; S23-L27 WeakPolarHBondContact O-CB 3.44Å; S23-L27 PolarHBondContact O-N 3.39Å
24R98.1Very high86.7Confident72 Ų7273.4 Ų73.427%0.27240%0.403SS..Hα-helixtrans-52.8-42.7177.6177178.759.888.2-2.4112.7A28 L48 F57 W141 T143 C145R24-A28 WeakPolarHBondContact O-CB 3.36Å; R24-A28 PolarHBondContact O-N 3.15Å; R24-L48 HydrophobicContact CG-CD1 4.29Å; R24-L48 HydrophobicContact CG-CD2 4.32Å; R24-L48 WeakPolarHBondContact O-CD2 3.33Å; R24-F57 HydrophobicContact CB-CE2 4.17Å; R24-F57 HydrophobicContact CB-CZ 4.2Å; R24-F57 HydrophobicContact CG-CZ 4.31Å; R24-W141 VanDerWaalsContact CD-O 3.29Å; R24-W141 WeakPolarHBondContact CD-O 3.49Å; R24-W141 HydrophobicContact CG-CE3 4.2Å; R24-W141 VanDerWaalsContact NH1-C 3.26Å; R24-W141 PolarHBondContact NH1-O 2.86Å; R24-T143 PolarHBondContact NH1-O 3.32Å; R24-T143 PolarHBondContact NH2-O 3.46Å; R24-C145 PolarHBondContact NH1-SG 3.45Å
25C98.4Very high88.4Confident37 Ų3772.6 Ų72.625%0.2540%0.399CS..Hα-helixtrans-79.9-32.8-176.3-64.80000113.1S23 L27 A28 Q29 C145S23-C25 VanDerWaalsContact C-N 3.26Å; S23-C25 PolarHBondContact O-N 3.28Å; C25-L27 VanDerWaalsContact C-N 3.33Å; C25-A28 WeakPolarHBondContact O-CB 3.21Å; C25-A28 PolarHBondContact O-N 3.09Å; C25-Q29 PolarHBondContact O-N 3.33Å; C25-C145 WeakPolarHBondContact CA-SG 3.21Å; C25-C145 HydrophobicContact CB-CB 3.78Å; C25-C145 WeakPolarHBondContact CB-SG 3.42Å; C25-C145 WeakPolarHBondContact SG-CA 3.23Å; C25-C145 WeakPolarHBondContact SG-CB 3.5Å; C25-C145 CovalentContact SG-SG 2.06Å; C25-C145 PolarHBondContact SG-SG 3.41Å
26D97.5Very high90.2Very high86 Ų8668.7 Ų68.746%0.4637%0.367SS..Hα-helixtrans-66.2-41.8172.9-58.9-34.4000109.9I22 S23 A28 Q29 V30I22-D26 HydrophobicContact CD1-CB 4.3Å; I22-D26 HydrophobicContact CG1-CB 3.98Å; S23-D26 WeakPolarHBondContact CB-OD2 3.49Å; S23-D26 PolarHBondContact O-N 2.96Å; S23-D26 WeakPolarHBondContact OG-CB 3.37Å; S23-D26 PolarHBondContact OG-N 2.98Å; S23-D26 VanDerWaalsContact OG-N 3.16Å; S23-D26 PolarHBondContact OG-OD2 3.29Å; D26-A28 PolarHBondContact O-N 3.19Å; D26-Q29 PolarHBondContact O-N 2.91Å; D26-V30 WeakPolarHBondContact O-CG2 3.1Å; D26-V30 PolarHBondContact O-N 3.19Å
27L98.4Very high92.1Very high0 Ų066.4 Ų66.40%036%0.356CS..Hα-helixtrans-61.3-45.3173.2-179.958.3000111.2I22 S23 C25 Q29 V30 L31 L48 A51 F57 L74 L106I22-L27 HydrophobicContact CD1-CB 3.86Å; I22-L27 HydrophobicContact CD1-CD1 4.24Å; I22-L27 HydrophobicContact CG1-CB 4.05Å; I22-L27 HydrophobicContact CG2-CB 4.09Å; I22-L27 HydrophobicContact CG2-CD2 4.3Å; S23-L27 WeakPolarHBondContact O-CB 3.44Å; S23-L27 PolarHBondContact O-N 3.39Å; C25-L27 VanDerWaalsContact C-N 3.33Å; L27-Q29 PolarHBondContact O-N 3.31Å; L27-V30 PolarHBondContact O-N 2.06Å; L27-L31 HydrophobicContact CD1-CD1 3.93Å; L27-L31 HydrophobicContact CD1-CD2 4.09Å; L27-L31 HydrophobicContact CD1-CG 3.77Å; L27-L31 HydrophobicContact CD2-CD1 4.36Å; L27-L31 HydrophobicContact CG-CD1 3.72Å; L27-L31 HydrophobicContact CG-CG 4.06Å; L27-L31 WeakPolarHBondContact O-CB 3.42Å; L27-L31 WeakPolarHBondContact O-CG 3.09Å; L27-L31 PolarHBondContact O-N 3.02Å; L27-L48 HydrophobicContact CB-CD2 4.03Å; L27-L48 HydrophobicContact CD2-CD2 3.79Å; L27-L48 HydrophobicContact CG-CD2 3.8Å; L27-A51 HydrophobicContact CD2-CB 3.66Å; L27-F57 HydrophobicContact CD2-CD1 3.57Å; L27-F57 HydrophobicContact CD2-CE1 3.67Å; L27-L74 HydrophobicContact CD1-CD2 3.51Å; L27-L74 HydrophobicContact CD2-CD1 4.36Å; L27-L74 HydrophobicContact CD2-CD2 3.86Å; L27-L74 HydrophobicContact CG-CD2 4.36Å; L27-L106 HydrophobicContact CD1-CD1 3.74Å
28A98.7Very high94Very high0 Ų060.9 Ų60.90%034%0.337CS..Hα-helixtrans-56.4-40.617700000112R24 C25 D26 Q32 L48 L142 L147R24-A28 WeakPolarHBondContact O-CB 3.36Å; R24-A28 PolarHBondContact O-N 3.15Å; C25-A28 WeakPolarHBondContact O-CB 3.21Å; C25-A28 PolarHBondContact O-N 3.09Å; D26-A28 PolarHBondContact O-N 3.19Å; A28-Q32 WeakPolarHBondContact O-CB 3.39Å; A28-Q32 PolarHBondContact O-N 3.2Å; A28-L48 HydrophobicContact CB-CD1 3.89Å; A28-L48 HydrophobicContact CB-CD2 4.23Å; A28-L142 HydrophobicContact CB-CD2 3.93Å; A28-L147 HydrophobicContact CB-CD2 3.96Å
29Q98.3Very high96Very high88 Ų8855.6 Ų55.641%0.41131%0.312SS..Hα-helixtrans-66.8-45.5176.9-175.1171.727.100112C25 D26 L27 Q32 L33 L147C25-Q29 PolarHBondContact O-N 3.33Å; D26-Q29 PolarHBondContact O-N 2.91Å; L27-Q29 PolarHBondContact O-N 3.31Å; Q29-Q32 PolarHBondContact O-N 3.35Å; Q29-L33 HydrophobicContact CG-CD1 4.13Å; Q29-L33 VanDerWaalsContact O-CG 3.31Å; Q29-L33 WeakPolarHBondContact O-CG 3.31Å; Q29-L33 PolarHBondContact O-N 3Å; Q29-L147 HydrophobicContact CB-CD2 4.38Å
30V98.3Very high97.6Very high40 Ų4058.7 Ų58.724%0.24232%0.318CS..Hα-helixtrans-60.1-48.3176.1173.80000110.3D26 L27 Q32 L33 E34 L106 I110D26-V30 WeakPolarHBondContact O-CG2 3.1Å; D26-V30 PolarHBondContact O-N 3.19Å; L27-V30 PolarHBondContact O-N 2.06Å; V30-Q32 VanDerWaalsContact C-N 3.26Å; V30-Q32 PolarHBondContact O-N 2.79Å; V30-L33 PolarHBondContact O-N 2.59Å; V30-E34 HydrophobicContact CG1-CG 4.23Å; V30-E34 WeakPolarHBondContact O-CB 3.47Å; V30-E34 VanDerWaalsContact O-CG 3.32Å; V30-E34 WeakPolarHBondContact O-CG 3.35Å; V30-E34 PolarHBondContact O-N 3.1Å; V30-L106 HydrophobicContact CG1-CD1 4.28Å; V30-I110 HydrophobicContact CG1-CD1 3.74Å
31L98.7Very high98.1Very high0 Ų059.4 Ų59.40%033%0.334CS..Hα-helixtrans-62.7-32.9179.3-64173.4000112.6L27 D35 L36 L44 W47 L48 F75 I110L27-L31 HydrophobicContact CD1-CD1 3.93Å; L27-L31 HydrophobicContact CD1-CD2 4.09Å; L27-L31 HydrophobicContact CD1-CG 3.77Å; L27-L31 HydrophobicContact CD2-CD1 4.36Å; L27-L31 HydrophobicContact CG-CD1 3.72Å; L27-L31 HydrophobicContact CG-CG 4.06Å; L27-L31 WeakPolarHBondContact O-CB 3.42Å; L27-L31 WeakPolarHBondContact O-CG 3.09Å; L27-L31 PolarHBondContact O-N 3.02Å; L31-D35 PolarHBondContact O-N 3.36Å; L31-L36 HydrophobicContact CB-CB 4.26Å; L31-L36 HydrophobicContact CB-CD1 4.39Å; L31-L36 HydrophobicContact CD2-CD1 4.03Å; L31-L36 HydrophobicContact CD2-CD2 3.89Å; L31-L36 HydrophobicContact CD2-CG 4.4Å; L31-L36 WeakPolarHBondContact O-CB 3.5Å; L31-L36 WeakPolarHBondContact O-CD1 3.44Å; L31-L36 PolarHBondContact O-N 3.3Å; L31-L44 HydrophobicContact CB-CD2 3.48Å; L31-L44 VanDerWaalsContact CB-CD2 3.48Å; L31-W47 HydrophobicContact CD1-CB 3.65Å; L31-L48 HydrophobicContact CD1-CD2 4.19Å; L31-L48 HydrophobicContact CD1-CG 4.46Å; L31-F75 HydrophobicContact CD2-CZ 4Å; L31-I110 HydrophobicContact CD2-CD1 4.03Å; L31-I110 HydrophobicContact CD2-CG1 4.14Å
32Q98.3Very high98.2Very high56 Ų5655.9 Ų55.926%0.26231%0.313SS..Hα-helixtrans-68.7-46.8173.6-172.3-178.934.200111.7A28 Q29 V30 E34 D35 L44A28-Q32 WeakPolarHBondContact O-CB 3.39Å; A28-Q32 PolarHBondContact O-N 3.2Å; Q29-Q32 PolarHBondContact O-N 3.35Å; V30-Q32 VanDerWaalsContact C-N 3.26Å; V30-Q32 PolarHBondContact O-N 2.79Å; Q32-E34 PolarHBondContact O-N 3.49Å; Q32-D35 PolarHBondContact O-N 2.9Å; Q32-D35 VanDerWaalsContact O-N 3.1Å; Q32-L44 HydrophobicContact CB-CD1 3.94Å; Q32-L44 HydrophobicContact CB-CD2 4.48Å; Q32-L44 HydrophobicContact CG-CD1 4.36Å
33L98.3Very high98.2Very high119 Ų11956.6 Ų56.662%0.62332%0.321SS*.Hα-helixtrans-62.9-32.3178.6-71.9171.4000112.2Q29 V30 D35Q29-L33 HydrophobicContact CG-CD1 4.13Å; Q29-L33 VanDerWaalsContact O-CG 3.31Å; Q29-L33 WeakPolarHBondContact O-CG 3.31Å; Q29-L33 PolarHBondContact O-N 3Å; V30-L33 PolarHBondContact O-N 2.59Å; L33-D35 VanDerWaalsContact C-N 3.26Å; L33-D35 PolarHBondContact O-N 3.18Å
34E98.4Very high98.3Very high57 Ų5754 Ų5427%0.26630%0.302SS..THydrogen-bonded Turntrans-88.519.5176.6-62.3-57.2137.500112.6V30 Q32 L36 L107 I110 K114V30-E34 HydrophobicContact CG1-CG 4.23Å; V30-E34 WeakPolarHBondContact O-CB 3.47Å; V30-E34 VanDerWaalsContact O-CG 3.32Å; V30-E34 WeakPolarHBondContact O-CG 3.35Å; V30-E34 PolarHBondContact O-N 3.1Å; Q32-E34 PolarHBondContact O-N 3.49Å; E34-L36 HydrophobicContact CB-CD1 3.52Å; E34-L36 VanDerWaalsContact O-CD1 3.24Å; E34-L36 WeakPolarHBondContact O-CD1 3.1Å; E34-L36 PolarHBondContact O-N 3.27Å; E34-L107 VanDerWaalsContact CD-CD2 3.4Å; E34-L107 HydrophobicContact CG-CD2 4.06Å; E34-L107 WeakPolarHBondContact OE1-CD2 3.4Å; E34-I110 HydrophobicContact CB-CD1 4.32Å; E34-I110 HydrophobicContact CB-CG2 4.03Å; E34-I110 HydrophobicContact CG-CD1 3.98Å; E34-I110 HydrophobicContact CG-CG2 4.47Å; E34-K114 VanDerWaalsContact O-CE 3.23Å; E34-K114 WeakPolarHBondContact O-CE 3.42Å; E34-K114 PolarHBondContact O-NZ 3.44Å
35D98.1Very high98.3Very high125 Ų12551 Ų5167%0.66829%0.292SS*.THydrogen-bonded Turntrans53.545.3175.2-60.4-49.8000114.3L31 Q32 L33 K114L31-D35 PolarHBondContact O-N 3.36Å; Q32-D35 PolarHBondContact O-N 2.9Å; Q32-D35 VanDerWaalsContact O-N 3.1Å; L33-D35 VanDerWaalsContact C-N 3.26Å; L33-D35 PolarHBondContact O-N 3.18Å; D35-K114 PolarHBondContact O-NZ 2.94Å
36L98.6Very high98.3Very high0 Ų050.6 Ų50.60%029%0.288CS..  trans-94.7-14.7173.5-73.394.6000113.6L31 E34 G38 F39 W47 I110 K114L31-L36 HydrophobicContact CB-CB 4.26Å; L31-L36 HydrophobicContact CB-CD1 4.39Å; L31-L36 HydrophobicContact CD2-CD1 4.03Å; L31-L36 HydrophobicContact CD2-CD2 3.89Å; L31-L36 HydrophobicContact CD2-CG 4.4Å; L31-L36 WeakPolarHBondContact O-CB 3.5Å; L31-L36 WeakPolarHBondContact O-CD1 3.44Å; L31-L36 PolarHBondContact O-N 3.3Å; E34-L36 HydrophobicContact CB-CD1 3.52Å; E34-L36 VanDerWaalsContact O-CD1 3.24Å; E34-L36 WeakPolarHBondContact O-CD1 3.1Å; E34-L36 PolarHBondContact O-N 3.27Å; L36-G38 PolarHBondContact O-N 2.97Å; L36-G38 VanDerWaalsContact O-N 3.15Å; L36-F39 PolarHBondContact O-N 3.29Å; L36-W47 HydrophobicContact CB-CD2 4.38Å; L36-W47 HydrophobicContact CB-CG 4.34Å; L36-W47 HydrophobicContact CD2-CD2 3.48Å; L36-W47 VanDerWaalsContact CD2-CD2 3.48Å; L36-W47 VanDerWaalsContact CD2-CE2 3.46Å; L36-W47 HydrophobicContact CD2-CE3 3.65Å; L36-W47 HydrophobicContact CD2-CG 4.13Å; L36-W47 HydrophobicContact CD2-CH2 3.76Å; L36-W47 HydrophobicContact CD2-CZ2 3.62Å; L36-W47 HydrophobicContact CD2-CZ3 3.78Å; L36-W47 HydrophobicContact CG-CZ2 4.42Å; L36-W47 PolarHBondContact O-NE1 2.93Å; L36-I110 HydrophobicContact CD1-CG2 3.51Å; L36-I110 HydrophobicContact CD2-CG2 4.29Å; L36-I110 HydrophobicContact CG-CG2 4.41Å; L36-K114 HydrophobicContact CD2-CG 4.4Å; L36-K114 HydrophobicContact CG-CG 4.47Å
37D98Very high98.4Very high93 Ų9346.5 Ų46.550%0.49727%0.266SS..THydrogen-bonded Turntrans-69.8111.9176.8-158.920.7000111F39 L44D37-F39 VanDerWaalsContact C-N 3.3Å; D37-L44 HydrophobicContact CB-CD1 4.01Å; D37-L44 HydrophobicContact CB-CD2 4Å; D37-L44 HydrophobicContact CB-CG 3.57Å; D37-L44 PolarHBondContact OD1-N 3.35Å
38G98Very high98.4Very high46 Ų4646.5 Ų46.547%0.47427%0.266SS..THydrogen-bonded Turntrans82.51.7-175.800000114.5L36 E40 G41 Y42L36-G38 PolarHBondContact O-N 2.97Å; L36-G38 VanDerWaalsContact O-N 3.15Å; G38-E40 PolarHBondContact O-N 3.24Å; G38-G41 PolarHBondContact O-N 3.26Å; G38-Y42 CarbonylContact C-O 3.48Å; G38-Y42 WeakPolarHBondContact CA-O 3.24Å; G38-Y42 PolarHBondContact N-O 3.33Å
39F98.7Very high98.4Very high50 Ų5046.7 Ų46.722%0.21927%0.267CS..BIsolated β-bridgetrans-61121.2177.9-176.2-92.7000110.5L36 D37 G41 Y42 W47 K114 V117 S118L36-F39 PolarHBondContact O-N 3.29Å; D37-F39 VanDerWaalsContact C-N 3.3Å; F39-G41 PolarHBondContact O-N 3.24Å; F39-G41 VanDerWaalsContact O-N 3.1Å; F39-Y42 PolarHBondContact N-O 3Å; F39-Y42 PolarHBondContact O-N 3.14Å; F39-W47 HydrophobicContact CD1-CZ2 4.09Å; F39-K114 HydrophobicContact CD1-CG 4.11Å; F39-K114 HydrophobicContact CD2-CD 4.32Å; F39-K114 HydrophobicContact CE1-CB 3.8Å; F39-K114 HydrophobicContact CE1-CD 4.45Å; F39-K114 HydrophobicContact CE1-CG 3.78Å; F39-K114 HydrophobicContact CE2-CD 4.02Å; F39-K114 HydrophobicContact CE2-CG 4.25Å; F39-K114 HydrophobicContact CG-CG 4.47Å; F39-K114 HydrophobicContact CZ-CB 3.77Å; F39-K114 HydrophobicContact CZ-CD 4.09Å; F39-K114 HydrophobicContact CZ-CG 3.86Å; F39-V117 HydrophobicContact CD1-CG1 4.24Å; F39-V117 HydrophobicContact CE1-CB 4.45Å; F39-V117 HydrophobicContact CE1-CG1 4.31Å; F39-S118 WeakPolarHBondContact CZ-OG 3.39Å
40E98Very high98.4Very high113 Ų11342.5 Ų42.553%0.52825%0.247SC..THydrogen-bonded Turntrans52.327.5-173.4-56.2-70.2178.900113.5G38 Y42 V117 S118G38-E40 PolarHBondContact O-N 3.24Å; E40-Y42 HydrophobicContact CB-CD2 4.23Å; E40-Y42 HydrophobicContact CB-CE2 4.46Å; E40-V117 HydrophobicContact CB-CG1 3.83Å; E40-V117 HydrophobicContact CG-CG1 4.06Å; E40-S118 WeakPolarHBondContact OE1-CB 3.23Å; E40-S118 PolarHBondContact OE1-OG 3.01Å
41G97.8Very high98.5Very high71 Ų7140.6 Ų40.673%0.73224%0.236SC*.THydrogen-bonded Turntrans84.13.6-179.600000115.5G38 F39G38-G41 PolarHBondContact O-N 3.26Å; F39-G41 PolarHBondContact O-N 3.24Å; F39-G41 VanDerWaalsContact O-N 3.1Å
42Y98.5Very high98.5Very high39 Ų3944 Ų4415%0.15325%0.251CS..BIsolated β-bridgetrans-94.3130.8177-63.5-76.3000111.6G38 F39 E40 D46 V117 M123 W129G38-Y42 CarbonylContact C-O 3.48Å; G38-Y42 WeakPolarHBondContact CA-O 3.24Å; G38-Y42 PolarHBondContact N-O 3.33Å; F39-Y42 PolarHBondContact N-O 3Å; F39-Y42 PolarHBondContact O-N 3.14Å; E40-Y42 HydrophobicContact CB-CD2 4.23Å; E40-Y42 HydrophobicContact CB-CE2 4.46Å; Y42-D46 HydrophobicContact CD1-CB 4.2Å; Y42-V117 HydrophobicContact CD2-CG1 3.57Å; Y42-V117 HydrophobicContact CE2-CG1 3.62Å; Y42-M123 HydrophobicContact CD1-CB 4.29Å; Y42-M123 HydrophobicContact CD1-CE 4.17Å; Y42-M123 HydrophobicContact CD1-CG 3.85Å; Y42-M123 HydrophobicContact CD1-SD 3.49Å; Y42-M123 WeakPolarHBondContact CD1-SD 3.38Å; Y42-M123 HydrophobicContact CD2-CE 4.43Å; Y42-M123 HydrophobicContact CD2-CG 4.07Å; Y42-M123 HydrophobicContact CD2-SD 4.45Å; Y42-M123 HydrophobicContact CE1-CB 3.73Å; Y42-M123 HydrophobicContact CE1-CG 3.76Å; Y42-M123 HydrophobicContact CE1-SD 3.91Å; Y42-M123 HydrophobicContact CE2-CB 4.35Å; Y42-M123 HydrophobicContact CE2-CG 3.99Å; Y42-M123 HydrophobicContact CG-CE 3.86Å; Y42-M123 HydrophobicContact CG-CG 3.98Å; Y42-M123 HydrophobicContact CG-SD 3.79Å; Y42-M123 PolarHBondContact OH-N 2.92Å; Y42-M123 VanDerWaalsContact OH-N 3.09Å; Y42-W129 HydrophobicContact CD1-CH2 4.33Å; Y42-W129 HydrophobicContact CD1-CZ2 4.11Å; Y42-W129 AromaticContact CE1-CH2 3.71Å; Y42-W129 HydrophobicContact CE1-CH2 3.71Å; Y42-W129 AromaticContact CE1-CZ2 3.94Å; Y42-W129 HydrophobicContact CE1-CZ2 3.94Å; Y42-W129 HydrophobicContact CE1-CZ3 4.46Å
43S98.3Very high98.5Very high42 Ų4242.5 Ų42.529%0.29425%0.246SC..  trans-79.3164.7178.172.10000111.8S45 D46 W47S43-S45 PolarHBondContact O-N 2.9Å; S43-S45 VanDerWaalsContact O-N 3.1Å; S43-S45 PolarHBondContact OG-N 2.89Å; S43-D46 WeakPolarHBondContact CB-OD2 3.24Å; S43-D46 PolarHBondContact N-OD2 3Å; S43-D46 WeakPolarHBondContact O-CB 3.38Å; S43-D46 PolarHBondContact O-N 3.09Å; S43-D46 PolarHBondContact OG-N 3.24Å; S43-D46 PolarHBondContact OG-OD2 2.9Å; S43-W47 PolarHBondContact O-N 3.37Å
44L98.5Very high98.5Very high0 Ų038 Ų380%022%0.221CC..Hα-helixtrans-52.3-33.1168.5-69.2175.8000113.1L31 Q32 D37 D46 W47 L48 L142 L147L31-L44 HydrophobicContact CB-CD2 3.48Å; L31-L44 VanDerWaalsContact CB-CD2 3.48Å; Q32-L44 HydrophobicContact CB-CD1 3.94Å; Q32-L44 HydrophobicContact CB-CD2 4.48Å; Q32-L44 HydrophobicContact CG-CD1 4.36Å; D37-L44 HydrophobicContact CB-CD1 4.01Å; D37-L44 HydrophobicContact CB-CD2 4Å; D37-L44 HydrophobicContact CB-CG 3.57Å; D37-L44 PolarHBondContact OD1-N 3.35Å; L44-D46 VanDerWaalsContact C-N 3.3Å; L44-D46 PolarHBondContact O-N 3.02Å; L44-W47 PolarHBondContact O-N 3.31Å; L44-L48 WeakPolarHBondContact O-CB 3.31Å; L44-L48 VanDerWaalsContact O-CG 3.24Å; L44-L48 WeakPolarHBondContact O-CG 3.31Å; L44-L48 PolarHBondContact O-N 3.45Å; L44-L142 HydrophobicContact CB-CD1 4.33Å; L44-L142 HydrophobicContact CB-CD2 4.28Å; L44-L147 HydrophobicContact CD1-CD1 3.62Å
45S98.7Very high98.5Very high8 Ų835.4 Ų35.46%0.05621%0.209CC..Hα-helixtrans-67.8-32.5179.5-61.10000112.3S43 C49 L138S43-S45 PolarHBondContact O-N 2.9Å; S43-S45 VanDerWaalsContact O-N 3.1Å; S43-S45 PolarHBondContact OG-N 2.89Å; S45-C49 WeakPolarHBondContact O-CB 3.49Å; S45-C49 PolarHBondContact O-N 3.42Å; S45-L138 VanDerWaalsContact CB-O 3.31Å; S45-L138 WeakPolarHBondContact CB-O 3.32Å; S45-L138 PolarHBondContact OG-O 3.23Å
46D98.8Very high98.5Very high30 Ų3034.6 Ų34.616%0.1620%0.2CC..Hα-helixtrans-65.5-45.1173.4-62.7-73.9000110.9Y42 S43 L44 C49 L50 M123 W129 L138Y42-D46 HydrophobicContact CD1-CB 4.2Å; S43-D46 WeakPolarHBondContact CB-OD2 3.24Å; S43-D46 PolarHBondContact N-OD2 3Å; S43-D46 WeakPolarHBondContact O-CB 3.38Å; S43-D46 PolarHBondContact O-N 3.09Å; S43-D46 PolarHBondContact OG-N 3.24Å; S43-D46 PolarHBondContact OG-OD2 2.9Å; L44-D46 VanDerWaalsContact C-N 3.3Å; L44-D46 PolarHBondContact O-N 3.02Å; D46-C49 PolarHBondContact O-N 2.67Å; D46-L50 PolarHBondContact O-N 3.36Å; D46-M123 HydrophobicContact CB-CE 4.11Å; D46-M123 HydrophobicContact CB-SD 3.87Å; D46-W129 HydrophobicContact CB-CZ2 4.25Å; D46-W129 PolarHBondContact O-NE1 2.62Å; D46-L138 HydrophobicContact CB-CD1 4.47Å; D46-L138 WeakPolarHBondContact OD1-CD1 3.42Å
47W98.9Very high98.5Very high0 Ų035.6 Ų35.60%020%0.204CC..Hα-helixtrans-64.5-40.3176.8-67.1105.6000113L31 L36 F39 S43 L44 L50 A51 F75 A113 V117 M123L31-W47 HydrophobicContact CD1-CB 3.65Å; L36-W47 HydrophobicContact CB-CD2 4.38Å; L36-W47 HydrophobicContact CB-CG 4.34Å; L36-W47 HydrophobicContact CD2-CD2 3.48Å; L36-W47 VanDerWaalsContact CD2-CD2 3.48Å; L36-W47 VanDerWaalsContact CD2-CE2 3.46Å; L36-W47 HydrophobicContact CD2-CE3 3.65Å; L36-W47 HydrophobicContact CD2-CG 4.13Å; L36-W47 HydrophobicContact CD2-CH2 3.76Å; L36-W47 HydrophobicContact CD2-CZ2 3.62Å; L36-W47 HydrophobicContact CD2-CZ3 3.78Å; L36-W47 HydrophobicContact CG-CZ2 4.42Å; L36-W47 PolarHBondContact O-NE1 2.93Å; F39-W47 HydrophobicContact CD1-CZ2 4.09Å; S43-W47 PolarHBondContact O-N 3.37Å; L44-W47 PolarHBondContact O-N 3.31Å; W47-L50 HydrophobicContact CE3-CD2 4.15Å; W47-L50 HydrophobicContact CZ3-CD2 4.27Å; W47-L50 WeakPolarHBondContact O-CB 3.37Å; W47-L50 PolarHBondContact O-N 2.87Å; W47-A51 PolarHBondContact O-N 3.49Å; W47-F75 HydrophobicContact CE3-CE1 4.26Å; W47-F75 HydrophobicContact CE3-CZ 4.41Å; W47-A113 HydrophobicContact CZ3-CB 3.96Å; W47-V117 HydrophobicContact CH2-CB 3.99Å; W47-V117 HydrophobicContact CH2-CG1 4.3Å; W47-V117 HydrophobicContact CH2-CG2 3.48Å; W47-V117 VanDerWaalsContact CH2-CG2 3.48Å; W47-V117 HydrophobicContact CZ2-CB 4.44Å; W47-V117 HydrophobicContact CZ2-CG1 4.27Å; W47-V117 HydrophobicContact CZ2-CG2 4.18Å; W47-V117 HydrophobicContact CZ3-CG2 4.13Å; W47-M123 HydrophobicContact CB-CE 4.43Å; W47-M123 HydrophobicContact CD2-CE 3.14Å; W47-M123 HydrophobicContact CE3-CE 3.41Å; W47-M123 VanDerWaalsContact CE3-CE 3.41Å; W47-M123 HydrophobicContact CG-CE 3.65Å; W47-M123 HydrophobicContact CH2-CE 3.87Å; W47-M123 HydrophobicContact CZ2-CE 3.61Å; W47-M123 HydrophobicContact CZ3-CE 3.75Å
48L98.9Very high98.5Very high0 Ų032.9 Ų32.90%019%0.19CC..Hα-helixtrans-66.7-40.1176-70.7172000111.8R24 L27 A28 L31 L44 F52 F57 W141 L142R24-L48 HydrophobicContact CG-CD1 4.29Å; R24-L48 HydrophobicContact CG-CD2 4.32Å; R24-L48 WeakPolarHBondContact O-CD2 3.33Å; L27-L48 HydrophobicContact CB-CD2 4.03Å; L27-L48 HydrophobicContact CD2-CD2 3.79Å; L27-L48 HydrophobicContact CG-CD2 3.8Å; A28-L48 HydrophobicContact CB-CD1 3.89Å; A28-L48 HydrophobicContact CB-CD2 4.23Å; L31-L48 HydrophobicContact CD1-CD2 4.19Å; L31-L48 HydrophobicContact CD1-CG 4.46Å; L44-L48 WeakPolarHBondContact O-CB 3.31Å; L44-L48 VanDerWaalsContact O-CG 3.24Å; L44-L48 WeakPolarHBondContact O-CG 3.31Å; L44-L48 PolarHBondContact O-N 3.45Å; L48-F52 WeakPolarHBondContact O-CB 3.36Å; L48-F52 PolarHBondContact O-N 3.3Å; L48-F57 HydrophobicContact CD2-CE1 4.34Å; L48-F57 WeakPolarHBondContact O-CE1 3.49Å; L48-W141 HydrophobicContact CB-CB 4.06Å; L48-W141 HydrophobicContact CB-CD2 4.25Å; L48-W141 HydrophobicContact CB-CE3 4.13Å; L48-W141 HydrophobicContact CB-CG 4.23Å; L48-W141 HydrophobicContact CD1-CB 4.02Å; L48-W141 VanDerWaalsContact CD1-O 3.32Å; L48-W141 WeakPolarHBondContact CD1-O 3.18Å; L48-L142 HydrophobicContact CD1-CD2 3.74Å; L48-L142 HydrophobicContact CD1-CG 4.44Å
49C98.9Very high98.5Very high3 Ų331.2 Ų31.22%0.0217%0.17CC..Hα-helixtrans-62.4-46.3173.9-1690000110.9S45 D46 F52 V53 C133 L138 W141S45-C49 WeakPolarHBondContact O-CB 3.49Å; S45-C49 PolarHBondContact O-N 3.42Å; D46-C49 PolarHBondContact O-N 2.67Å; C49-F52 PolarHBondContact O-N 3.24Å; C49-V53 WeakPolarHBondContact O-CG1 3.36Å; C49-V53 WeakPolarHBondContact O-CG2 3.39Å; C49-V53 PolarHBondContact O-N 2.98Å; C49-C133 VanDerWaalsContact C-SG 3.51Å; C49-C133 HydrophobicContact CB-CB 3.8Å; C49-C133 WeakPolarHBondContact CB-SG 3.36Å; C49-C133 VanDerWaalsContact SG-CA 3.58Å; C49-C133 WeakPolarHBondContact SG-CB 3.17Å; C49-C133 CovalentContact SG-SG 2.03Å; C49-C133 PolarHBondContact SG-SG 3.29Å; C49-L138 HydrophobicContact CB-CD1 3.91Å; C49-L138 HydrophobicContact CB-CD2 4.16Å; C49-W141 HydrophobicContact CB-CZ2 4.47Å
50L98.9Very high98.4Very high0 Ų031 Ų310%018%0.175CC..Hα-helixtrans-52.6-58.3175177.161.2000111.4D46 W47 F52 V53 E54 F75 M123 W126 W129D46-L50 PolarHBondContact O-N 3.36Å; W47-L50 HydrophobicContact CE3-CD2 4.15Å; W47-L50 HydrophobicContact CZ3-CD2 4.27Å; W47-L50 WeakPolarHBondContact O-CB 3.37Å; W47-L50 PolarHBondContact O-N 2.87Å; L50-F52 PolarHBondContact O-N 2.6Å; L50-V53 WeakPolarHBondContact O-CG2 3.2Å; L50-V53 PolarHBondContact O-N 3.19Å; L50-E54 HydrophobicContact CD1-CG 3.66Å; L50-E54 HydrophobicContact CG-CG 4.38Å; L50-E54 WeakPolarHBondContact O-CB 3.48Å; L50-E54 VanDerWaalsContact O-CG 3.3Å; L50-E54 WeakPolarHBondContact O-CG 3.24Å; L50-E54 PolarHBondContact O-N 2.97Å; L50-F75 HydrophobicContact CD2-CD1 3.87Å; L50-F75 HydrophobicContact CD2-CE1 4.4Å; L50-F75 HydrophobicContact CG-CD1 4.07Å; L50-M123 HydrophobicContact CD2-CE 4.46Å; L50-W126 HydrophobicContact CD1-CB 3.61Å; L50-W126 HydrophobicContact CD1-CD2 3.8Å; L50-W126 HydrophobicContact CD1-CE3 4.44Å; L50-W126 HydrophobicContact CD1-CG 3.41Å; L50-W126 VanDerWaalsContact CD1-CG 3.41Å; L50-W126 HydrophobicContact CD2-CD2 4.09Å; L50-W126 HydrophobicContact CD2-CE3 4.27Å; L50-W126 HydrophobicContact CD2-CH2 4.45Å; L50-W126 HydrophobicContact CD2-CZ2 4.3Å; L50-W126 HydrophobicContact CD2-CZ3 4.46Å; L50-W129 HydrophobicContact CB-CG 4.46Å; L50-W129 HydrophobicContact CD1-CB 3.76Å; L50-W129 HydrophobicContact CD1-CG 4.19Å
51A98.9Very high98.4Very high0 Ų028.3 Ų28.30%016%0.161CC..Hα-helixtrans-58.1-36.2-179.500000112.6L27 W47 S55 K56 F57 L74 F75L27-A51 HydrophobicContact CD2-CB 3.66Å; W47-A51 PolarHBondContact O-N 3.49Å; A51-S55 PolarHBondContact O-N 3.17Å; A51-S55 PolarHBondContact O-OG 3.33Å; A51-K56 PolarHBondContact O-N 2.95Å; A51-F57 HydrophobicContact CB-CD1 3.88Å; A51-F57 HydrophobicContact CB-CE1 3.88Å; A51-F57 PolarHBondContact O-N 3.16Å; A51-L74 HydrophobicContact CB-CD1 3.98Å; A51-L74 HydrophobicContact CB-CD2 4.29Å; A51-L74 HydrophobicContact CB-CG 3.88Å; A51-F75 HydrophobicContact CB-CD1 4.31Å; A51-F75 HydrophobicContact CB-CE1 4.04Å
52F98.8Very high98.4Very high73 Ų7328.5 Ų28.532%0.3215%0.145SC..Hα-helixtrans-70.6-42.5177.9179.5-104000113.6L48 C49 L50 K56 F57 W141L48-F52 WeakPolarHBondContact O-CB 3.36Å; L48-F52 PolarHBondContact O-N 3.3Å; C49-F52 PolarHBondContact O-N 3.24Å; L50-F52 PolarHBondContact O-N 2.6Å; F52-K56 HydrophobicContact CD2-CD 3.94Å; F52-K56 HydrophobicContact CE1-CD 4.2Å; F52-K56 HydrophobicContact CE2-CD 3.56Å; F52-K56 HydrophobicContact CG-CD 4.42Å; F52-K56 HydrophobicContact CZ-CD 3.71Å; F52-K56 WeakPolarHBondContact O-CA 3.47Å; F52-K56 VanDerWaalsContact O-CD 3.29Å; F52-K56 WeakPolarHBondContact O-CD 3.29Å; F52-K56 WeakPolarHBondContact O-CE 3.42Å; F52-K56 PolarHBondContact O-N 2.91Å; F52-K56 PolarHBondContact O-NZ 3.47Å; F52-F57 HydrophobicContact CB-CE1 4.1Å; F52-F57 HydrophobicContact CB-CE2 4.04Å; F52-F57 HydrophobicContact CB-CZ 3.7Å; F52-F57 HydrophobicContact CD2-CD2 4.04Å; F52-F57 AromaticContact CD2-CE2 3.61Å; F52-F57 HydrophobicContact CD2-CE2 3.61Å; F52-F57 HydrophobicContact CD2-CZ 4.18Å; F52-F57 HydrophobicContact CG-CE2 4.27Å; F52-F57 HydrophobicContact CG-CZ 4.39Å; F52-W141 HydrophobicContact CB-CH2 3.46Å; F52-W141 VanDerWaalsContact CB-CH2 3.46Å; F52-W141 HydrophobicContact CB-CZ2 4.09Å; F52-W141 HydrophobicContact CB-CZ3 3.92Å; F52-W141 AromaticContact CD1-CH2 3.43Å; F52-W141 HydrophobicContact CD1-CH2 3.43Å; F52-W141 VanDerWaalsContact CD1-CH2 3.43Å; F52-W141 AromaticContact CD1-CZ2 3.87Å; F52-W141 HydrophobicContact CD1-CZ2 3.87Å; F52-W141 AromaticContact CD2-CH2 3.85Å; F52-W141 HydrophobicContact CD2-CH2 3.85Å; F52-W141 HydrophobicContact CD2-CZ3 4.27Å; F52-W141 HydrophobicContact CE1-CH2 4.06Å; F52-W141 HydrophobicContact CE2-CH2 4.43Å; F52-W141 AromaticContact CG-CH2 3.28Å; F52-W141 HydrophobicContact CG-CH2 3.28Å; F52-W141 HydrophobicContact CG-CZ2 4.08Å; F52-W141 HydrophobicContact CG-CZ3 4Å
53V98.7Very high98.4Very high24 Ų2429.5 Ų29.515%0.14515%0.153CC..Hα-helixtrans-72.4-37.3-178.3-60.50000110.8C49 L50 E128 H132C49-V53 WeakPolarHBondContact O-CG1 3.36Å; C49-V53 WeakPolarHBondContact O-CG2 3.39Å; C49-V53 PolarHBondContact O-N 2.98Å; L50-V53 WeakPolarHBondContact O-CG2 3.2Å; L50-V53 PolarHBondContact O-N 3.19Å; V53-E128 HydrophobicContact CB-CB 4.1Å; V53-E128 HydrophobicContact CG2-CB 3.75Å; V53-H132 HydrophobicContact CG1-CB 3.75Å
54E98.7Very high98.4Very high23 Ų2334.2 Ų34.211%0.10717%0.17CC..Hα-helixtrans-74.8-48.4-178.8-67.4-59.5164.800113L50 K61 Q76 W126L50-E54 HydrophobicContact CD1-CG 3.66Å; L50-E54 HydrophobicContact CG-CG 4.38Å; L50-E54 WeakPolarHBondContact O-CB 3.48Å; L50-E54 VanDerWaalsContact O-CG 3.3Å; L50-E54 WeakPolarHBondContact O-CG 3.24Å; L50-E54 PolarHBondContact O-N 2.97Å; E54-K61 PolarHBondContact O-NZ 3.08Å; E54-Q76 HydrophobicContact CB-CB 4.02Å; E54-Q76 HydrophobicContact CB-CG 3.7Å; E54-Q76 HydrophobicContact CG-CB 4.45Å; E54-Q76 WeakPolarHBondContact O-CG 3.44Å; E54-W126 WeakPolarHBondContact OE1-CB 3.35Å
55S98.4Very high98.3Very high3 Ų336.5 Ų36.52%0.02118%0.182CC..Hα-helixtrans-128.5-3.2-170.469.20000115.9A51 F57 N58 L74A51-S55 PolarHBondContact O-N 3.17Å; A51-S55 PolarHBondContact O-OG 3.33Å; S55-F57 PolarHBondContact O-N 3.09Å; S55-F57 PolarHBondContact OG-N 3.18Å; S55-N58 WeakPolarHBondContact CB-O 3.43Å; S55-N58 VanDerWaalsContact O-CB 3.24Å; S55-N58 WeakPolarHBondContact O-CB 3.32Å; S55-N58 PolarHBondContact O-N 3.18Å; S55-N58 PolarHBondContact OG-N 3.43Å; S55-L74 VanDerWaalsContact CB-O 3.32Å; S55-L74 WeakPolarHBondContact CB-O 3.46Å; S55-L74 PolarHBondContact OG-O 2.98Å
56K98.2Very high98.2Very high109 Ų10941.7 Ų41.747%0.47423%0.226SC..THydrogen-bonded Turntrans52.835.7-168.9-55.9-70.8165.5-136.30111.6A51 F52 N58A51-K56 PolarHBondContact O-N 2.95Å; F52-K56 HydrophobicContact CD2-CD 3.94Å; F52-K56 HydrophobicContact CE1-CD 4.2Å; F52-K56 HydrophobicContact CE2-CD 3.56Å; F52-K56 HydrophobicContact CG-CD 4.42Å; F52-K56 HydrophobicContact CZ-CD 3.71Å; F52-K56 WeakPolarHBondContact O-CA 3.47Å; F52-K56 VanDerWaalsContact O-CD 3.29Å; F52-K56 WeakPolarHBondContact O-CD 3.29Å; F52-K56 WeakPolarHBondContact O-CE 3.42Å; F52-K56 PolarHBondContact O-N 2.91Å; F52-K56 PolarHBondContact O-NZ 3.47Å; K56-N58 PolarHBondContact O-N 3.36Å
57F98.5Very high98Very high21 Ų2145 Ų459%0.09224%0.244CC..THydrogen-bonded Turntrans64.918.9-175.2-50.5-61.6000115.6L21 I22 R24 L27 L48 A51 F52 S55 I59 L74 W141L21-F57 WeakPolarHBondContact CA-O 3.32Å; I22-F57 HydrophobicContact CG2-CB 3.95Å; I22-F57 PolarHBondContact N-O 3.22Å; I22-F57 WeakPolarHBondContact O-CB 3.44Å; R24-F57 HydrophobicContact CB-CE2 4.17Å; R24-F57 HydrophobicContact CB-CZ 4.2Å; R24-F57 HydrophobicContact CG-CZ 4.31Å; L27-F57 HydrophobicContact CD2-CD1 3.57Å; L27-F57 HydrophobicContact CD2-CE1 3.67Å; L48-F57 HydrophobicContact CD2-CE1 4.34Å; L48-F57 WeakPolarHBondContact O-CE1 3.49Å; A51-F57 HydrophobicContact CB-CD1 3.88Å; A51-F57 HydrophobicContact CB-CE1 3.88Å; A51-F57 PolarHBondContact O-N 3.16Å; F52-F57 HydrophobicContact CB-CE1 4.1Å; F52-F57 HydrophobicContact CB-CE2 4.04Å; F52-F57 HydrophobicContact CB-CZ 3.7Å; F52-F57 HydrophobicContact CD2-CD2 4.04Å; F52-F57 AromaticContact CD2-CE2 3.61Å; F52-F57 HydrophobicContact CD2-CE2 3.61Å; F52-F57 HydrophobicContact CD2-CZ 4.18Å; F52-F57 HydrophobicContact CG-CE2 4.27Å; F52-F57 HydrophobicContact CG-CZ 4.39Å; S55-F57 PolarHBondContact O-N 3.09Å; S55-F57 PolarHBondContact OG-N 3.18Å; F57-I59 PolarHBondContact O-N 3.27Å; F57-L74 HydrophobicContact CB-CD1 4.48Å; F57-L74 HydrophobicContact CD1-CD1 4.48Å; F57-W141 HydrophobicContact CE2-CZ3 4.03Å; F57-W141 HydrophobicContact CZ-CE3 4.21Å; F57-W141 AromaticContact CZ-CZ3 3.68Å; F57-W141 HydrophobicContact CZ-CZ3 3.68Å
58N98.3Very high97.8Very high35 Ų3546.5 Ų46.519%0.18726%0.259CS..BIsolated β-bridgetrans-82.4105.8172.5-175.81.7000110.5L21 S55 K56 S60 K61L21-N58 HydrophobicContact CD2-CB 3.88Å; S55-N58 WeakPolarHBondContact CB-O 3.43Å; S55-N58 VanDerWaalsContact O-CB 3.24Å; S55-N58 WeakPolarHBondContact O-CB 3.32Å; S55-N58 PolarHBondContact O-N 3.18Å; S55-N58 PolarHBondContact OG-N 3.43Å; K56-N58 PolarHBondContact O-N 3.36Å; N58-S60 PolarHBondContact O-N 3.39Å; N58-S60 PolarHBondContact OD1-N 3.16Å; N58-S60 PolarHBondContact OD1-OG 2.95Å; N58-K61 HydrophobicContact CB-CB 4.05Å; N58-K61 WeakPolarHBondContact O-CB 3.47Å; N58-K61 PolarHBondContact O-N 3.02Å
59I98.4Very high97.8Very high11 Ų1146.6 Ų46.66%0.05626%0.259CS..THydrogen-bonded Turntrans-63.3-29.6-176.3-58.6167000112S20 I22 F57 G73 L106S20-I59 VanDerWaalsContact O-CB 3.23Å; S20-I59 WeakPolarHBondContact O-CB 3.4Å; S20-I59 WeakPolarHBondContact O-CD1 3.43Å; S20-I59 WeakPolarHBondContact O-CG1 3.42Å; S20-I59 PolarHBondContact O-N 3.09Å; I22-I59 HydrophobicContact CB-CD1 3.75Å; I22-I59 HydrophobicContact CB-CG1 4.11Å; I22-I59 HydrophobicContact CG2-CD1 4.2Å; I22-I59 HydrophobicContact CG2-CG1 4Å; F57-I59 PolarHBondContact O-N 3.27Å; I59-G73 WeakPolarHBondContact O-CA 3.34Å; I59-L106 HydrophobicContact CB-CD2 4.25Å; I59-L106 HydrophobicContact CD1-CD2 3.97Å; I59-L106 HydrophobicContact CG1-CD2 3.81Å; I59-L106 HydrophobicContact CG2-CD2 3.47Å; I59-L106 VanDerWaalsContact CG2-CD2 3.47Å
60S96.2Very high97.8Very high47 Ų4748.2 Ų48.233%0.32927%0.266SS..THydrogen-bonded Turntrans-105.218-176.459.80000113.5N58N58-S60 PolarHBondContact O-N 3.39Å; N58-S60 PolarHBondContact OD1-N 3.16Å; N58-S60 PolarHBondContact OD1-OG 2.95Å
61K97.8Very high97.8Very high56 Ų5649.4 Ų49.424%0.24327%0.273CS..  trans-66.8133.4177.8-172.1-177.1176.4-161.60110.7E54 N58 N63 G73 Q76E54-K61 PolarHBondContact O-NZ 3.08Å; N58-K61 HydrophobicContact CB-CB 4.05Å; N58-K61 WeakPolarHBondContact O-CB 3.47Å; N58-K61 PolarHBondContact O-N 3.02Å; K61-N63 WeakPolarHBondContact CE-ND2 3.09Å; K61-N63 WeakPolarHBondContact CE-OD1 3.46Å; K61-N63 PolarHBondContact NZ-ND2 2.83Å; K61-N63 VanDerWaalsContact NZ-ND2 3.19Å; K61-G73 PolarHBondContact O-N 3.01Å; K61-Q76 PolarHBondContact O-NE2 3.42Å
62I98.1Very high97.8Very high75 Ų7549.9 Ų49.939%0.38527%0.274SS..EExtended strand (participates in β ladder)trans-128.1131.5171.4-54.4172.8000107.8F70 D71 Y72 L102I62-F70 HydrophobicContact CG2-CB 4.32Å; I62-F70 HydrophobicContact CG2-CD1 3.98Å; I62-D71 VanDerWaalsContact CA-O 3.28Å; I62-D71 WeakPolarHBondContact CA-O 3.04Å; I62-Y72 HydrophobicContact CD1-CD1 4.22Å; I62-Y72 HydrophobicContact CD1-CE1 4.01Å; I62-Y72 HydrophobicContact CG1-CD1 4.05Å; I62-Y72 HydrophobicContact CG1-CE1 4.25Å; I62-Y72 HydrophobicContact CG2-CD1 4.45Å; I62-Y72 HydrophobicContact CG2-CE1 4.2Å; I62-L102 HydrophobicContact CD1-CD1 3.65Å; I62-L102 HydrophobicContact CG1-CD1 4.02Å; I62-L102 HydrophobicContact CG1-CD2 4.03Å
63N98.1Very high97.8Very high60 Ų6046.4 Ų46.432%0.32126%0.259SS..EExtended strand (participates in β ladder)trans-119.3145.9170-65.6-28000110.1K61 F70 D71 Q76K61-N63 WeakPolarHBondContact CE-ND2 3.09Å; K61-N63 WeakPolarHBondContact CE-OD1 3.46Å; K61-N63 PolarHBondContact NZ-ND2 2.83Å; K61-N63 VanDerWaalsContact NZ-ND2 3.19Å; N63-F70 CarbonylContact O-C 3.57Å; N63-F70 VanDerWaalsContact O-CA 3.22Å; N63-F70 WeakPolarHBondContact O-CA 3.46Å; N63-D71 PolarHBondContact N-O 3Å; N63-D71 VanDerWaalsContact N-O 3.07Å; N63-D71 PolarHBondContact O-N 2.03Å; N63-Q76 VanDerWaalsContact CG-OE1 3.27Å; N63-Q76 PolarHBondContact ND2-OE1 3.48Å
64E97.6Very high97.8Very high140 Ų14045.5 Ų45.565%0.65425%0.254SS*.EExtended strand (participates in β ladder)trans-91.5138.6169.6-174.1173.8-178.700109.7F70E64-F70 HydrophobicContact CB-CD1 3.86Å; E64-F70 HydrophobicContact CB-CE1 3.53Å; E64-F70 HydrophobicContact CB-CZ 4.18Å; E64-F70 HydrophobicContact CG-CD1 4.23Å; E64-F70 HydrophobicContact CG-CE1 3.65Å; E64-F70 HydrophobicContact CG-CE2 4.44Å; E64-F70 HydrophobicContact CG-CZ 3.75Å
65N97.1Very high97.8Very high48 Ų4844.6 Ų44.626%0.25725%0.249SC..  trans-101.3160.3175.9-68.6-54.7000111.4D67 G68 S69 D71 N78N65-D67 WeakPolarHBondContact CB-OD1 3.39Å; N65-D67 PolarHBondContact O-N 3.15Å; N65-D67 VanDerWaalsContact O-N 3.17Å; N65-G68 PolarHBondContact O-N 3.21Å; N65-S69 WeakPolarHBondContact CB-O 3.38Å; N65-S69 PolarHBondContact N-O 3.2Å; N65-S69 PolarHBondContact ND2-OG 3.02Å; N65-D71 PolarHBondContact ND2-OD1 3.21Å; N65-D71 PolarHBondContact ND2-OD2 2.93Å; N65-D71 PolarHBondContact OD1-OD2 3.08Å; N65-N78 PolarHBondContact ND2-ND2 3.44Å
66A95.8Very high97.8Very high117 Ų11744.8 Ų44.897%0.96725%0.25SC*.THydrogen-bonded Turntrans-64.4-21.5-176.900000114.2G68A66-G68 VanDerWaalsContact C-N 3.3Å
67D94.9Very high97.8Very high101 Ų10139.7 Ų39.754%0.5423%0.228SC..THydrogen-bonded Turntrans-86.20.8176.567.4-8.7000113.5N65 S69N65-D67 WeakPolarHBondContact CB-OD1 3.39Å; N65-D67 PolarHBondContact O-N 3.15Å; N65-D67 VanDerWaalsContact O-N 3.17Å; D67-S69 VanDerWaalsContact C-N 3.32Å; D67-S69 VanDerWaalsContact OD1-CB 3.31Å; D67-S69 WeakPolarHBondContact OD1-CB 3.26Å; D67-S69 PolarHBondContact OD1-N 3.2Å; D67-S69 PolarHBondContact OD1-OG 2.98Å; D67-S69 PolarHBondContact OD2-OG 2.94Å
68G95.7Very high97.8Very high30 Ų3039.8 Ų39.831%0.30923%0.229SC..SBendtrans84.30.3-178.100000114.7N65 A66 F70N65-G68 PolarHBondContact O-N 3.21Å; A66-G68 VanDerWaalsContact C-N 3.3Å; G68-F70 WeakPolarHBondContact O-CE2 3.42Å
69S97.9Very high97.8Very high2 Ų238.1 Ų38.11%0.01422%0.22CC..  trans-75.9168.116771.60000111.1N65 D67 N78N65-S69 WeakPolarHBondContact CB-O 3.38Å; N65-S69 PolarHBondContact N-O 3.2Å; N65-S69 PolarHBondContact ND2-OG 3.02Å; D67-S69 VanDerWaalsContact C-N 3.32Å; D67-S69 VanDerWaalsContact OD1-CB 3.31Å; D67-S69 WeakPolarHBondContact OD1-CB 3.26Å; D67-S69 PolarHBondContact OD1-N 3.2Å; D67-S69 PolarHBondContact OD1-OG 2.98Å; D67-S69 PolarHBondContact OD2-OG 2.94Å; S69-N78 PolarHBondContact OG-ND2 3.06Å
70F98.7Very high97.8Very high37 Ų3740 Ų4016%0.16223%0.228CC..EExtended strand (participates in β ladder)trans-130.1147179.3-68.9-99.5000110.9I62 N63 E64 G68 Y72 N78 S79 K87I62-F70 HydrophobicContact CG2-CB 4.32Å; I62-F70 HydrophobicContact CG2-CD1 3.98Å; N63-F70 CarbonylContact O-C 3.57Å; N63-F70 VanDerWaalsContact O-CA 3.22Å; N63-F70 WeakPolarHBondContact O-CA 3.46Å; E64-F70 HydrophobicContact CB-CD1 3.86Å; E64-F70 HydrophobicContact CB-CE1 3.53Å; E64-F70 HydrophobicContact CB-CZ 4.18Å; E64-F70 HydrophobicContact CG-CD1 4.23Å; E64-F70 HydrophobicContact CG-CE1 3.65Å; E64-F70 HydrophobicContact CG-CE2 4.44Å; E64-F70 HydrophobicContact CG-CZ 3.75Å; G68-F70 WeakPolarHBondContact O-CE2 3.42Å; F70-Y72 HydrophobicContact CB-CD2 4.19Å; F70-Y72 HydrophobicContact CB-CE2 3.36Å; F70-Y72 WeakPolarHBondContact O-CD2 3.01Å; F70-N78 CarbonylContact O-C 3.52Å; F70-N78 WeakPolarHBondContact O-CA 3.37Å; F70-S79 PolarHBondContact N-OG 2.85Å; F70-S79 PolarHBondContact O-N 3.26Å; F70-S79 PolarHBondContact O-OG 3.41Å; F70-K87 HydrophobicContact CE2-CD 4.41Å
71D98.7Very high97.9Very high26 Ų2642.6 Ų42.614%0.13923%0.232CC..EExtended strand (participates in β ladder)trans-104.3132174.2-61.5-30.1000110.7I62 N63 N65 Q76 N78I62-D71 VanDerWaalsContact CA-O 3.28Å; I62-D71 WeakPolarHBondContact CA-O 3.04Å; N63-D71 PolarHBondContact N-O 3Å; N63-D71 VanDerWaalsContact N-O 3.07Å; N63-D71 PolarHBondContact O-N 2.03Å; N65-D71 PolarHBondContact ND2-OD1 3.21Å; N65-D71 PolarHBondContact ND2-OD2 2.93Å; N65-D71 PolarHBondContact OD1-OD2 3.08Å; D71-Q76 HydrophobicContact CB-CB 3.93Å; D71-N78 WeakPolarHBondContact OD1-CA 3.3Å; D71-N78 WeakPolarHBondContact OD1-CB 3.49Å; D71-N78 PolarHBondContact OD1-ND2 3.38Å
72Y98.7Very high98Very high9 Ų942.3 Ų42.34%0.03523%0.229CC..EExtended strand (participates in β ladder)trans-117.7136.4-169.7-69.8-99.8000113.3I62 F70 Q76 I77 D85 C98 L102I62-Y72 HydrophobicContact CD1-CD1 4.22Å; I62-Y72 HydrophobicContact CD1-CE1 4.01Å; I62-Y72 HydrophobicContact CG1-CD1 4.05Å; I62-Y72 HydrophobicContact CG1-CE1 4.25Å; I62-Y72 HydrophobicContact CG2-CD1 4.45Å; I62-Y72 HydrophobicContact CG2-CE1 4.2Å; F70-Y72 HydrophobicContact CB-CD2 4.19Å; F70-Y72 HydrophobicContact CB-CE2 3.36Å; F70-Y72 WeakPolarHBondContact O-CD2 3.01Å; Y72-Q76 WeakPolarHBondContact O-CA 3.41Å; Y72-Q76 PolarHBondContact O-N 3.1Å; Y72-I77 PolarHBondContact N-O 2.88Å; Y72-I77 PolarHBondContact O-N 3.31Å; Y72-D85 HydrophobicContact CE2-CB 4.08Å; Y72-D85 WeakPolarHBondContact OH-CB 3.27Å; Y72-D85 PolarHBondContact OH-OD2 3.48Å; Y72-C98 HydrophobicContact CD1-CB 3.82Å; Y72-C98 HydrophobicContact CD2-CB 3.63Å; Y72-C98 HydrophobicContact CE1-CB 3.86Å; Y72-C98 HydrophobicContact CE2-CB 3.66Å; Y72-C98 HydrophobicContact CG-CB 3.73Å; Y72-L102 HydrophobicContact CD1-CD1 4.06Å; Y72-L102 HydrophobicContact CD1-CD2 4.06Å; Y72-L102 HydrophobicContact CD1-CG 4.16Å
73G98.5Very high98Very high0 Ų038.7 Ų38.70%021%0.211CC..THydrogen-bonded Turntrans74.2-165.1161.100000115.2I59 K61 F75 Q76I59-G73 WeakPolarHBondContact O-CA 3.34Å; K61-G73 PolarHBondContact O-N 3.01Å; G73-F75 VanDerWaalsContact C-N 3.25Å; G73-F75 PolarHBondContact O-N 3.26Å; G73-F75 VanDerWaalsContact O-N 3.15Å; G73-Q76 PolarHBondContact O-N 3.46Å; G73-Q76 PolarHBondContact O-NE2 2.87Å
74L98.6Very high98.1Very high6 Ų637.5 Ų37.53%0.03121%0.205CC..THydrogen-bonded Turntrans-53.9-39.3-170.8-174.968.4000113.9I22 L27 A51 S55 F57 L106I22-L74 HydrophobicContact CG2-CD1 4.02Å; L27-L74 HydrophobicContact CD1-CD2 3.51Å; L27-L74 HydrophobicContact CD2-CD1 4.36Å; L27-L74 HydrophobicContact CD2-CD2 3.86Å; L27-L74 HydrophobicContact CG-CD2 4.36Å; A51-L74 HydrophobicContact CB-CD1 3.98Å; A51-L74 HydrophobicContact CB-CD2 4.29Å; A51-L74 HydrophobicContact CB-CG 3.88Å; S55-L74 VanDerWaalsContact CB-O 3.32Å; S55-L74 WeakPolarHBondContact CB-O 3.46Å; S55-L74 PolarHBondContact OG-O 2.98Å; F57-L74 HydrophobicContact CB-CD1 4.48Å; F57-L74 HydrophobicContact CD1-CD1 4.48Å; L74-L106 HydrophobicContact CD2-CD1 4.08Å; L74-L106 HydrophobicContact CD2-CD2 4.27Å
75F98.9Very high98.1Very high3 Ų331.8 Ų31.81%0.01318%0.179CC..THydrogen-bonded Turntrans-1018.8-179-55.3-60.1000113.6L31 W47 L50 A51 G73 I77 I110 A113 W126L31-F75 HydrophobicContact CD2-CZ 4Å; W47-F75 HydrophobicContact CE3-CE1 4.26Å; W47-F75 HydrophobicContact CE3-CZ 4.41Å; L50-F75 HydrophobicContact CD2-CD1 3.87Å; L50-F75 HydrophobicContact CD2-CE1 4.4Å; L50-F75 HydrophobicContact CG-CD1 4.07Å; A51-F75 HydrophobicContact CB-CD1 4.31Å; A51-F75 HydrophobicContact CB-CE1 4.04Å; G73-F75 VanDerWaalsContact C-N 3.25Å; G73-F75 PolarHBondContact O-N 3.26Å; G73-F75 VanDerWaalsContact O-N 3.15Å; F75-I77 HydrophobicContact CB-CD1 4.36Å; F75-I77 HydrophobicContact CB-CG1 4.09Å; F75-I77 PolarHBondContact O-N 3.1Å; F75-I110 HydrophobicContact CE2-CG1 3.99Å; F75-I110 HydrophobicContact CZ-CG1 4.46Å; F75-A113 HydrophobicContact CD2-CB 3.73Å; F75-A113 HydrophobicContact CE2-CB 4.08Å; F75-A113 HydrophobicContact CG-CB 4.24Å; F75-W126 PolarHBondContact O-NE1 3.25Å
76Q98.8Very high98.1Very high7 Ų737.2 Ų37.23%0.03320%0.197CC..THydrogen-bonded Turntrans47.358.2178.7-65.1-67.2-91.800112.4E54 K61 N63 D71 Y72 G73E54-Q76 HydrophobicContact CB-CB 4.02Å; E54-Q76 HydrophobicContact CB-CG 3.7Å; E54-Q76 HydrophobicContact CG-CB 4.45Å; E54-Q76 WeakPolarHBondContact O-CG 3.44Å; K61-Q76 PolarHBondContact O-NE2 3.42Å; N63-Q76 VanDerWaalsContact CG-OE1 3.27Å; N63-Q76 PolarHBondContact ND2-OE1 3.48Å; D71-Q76 HydrophobicContact CB-CB 3.93Å; Y72-Q76 WeakPolarHBondContact O-CA 3.41Å; Y72-Q76 PolarHBondContact O-N 3.1Å; G73-Q76 PolarHBondContact O-N 3.46Å; G73-Q76 PolarHBondContact O-NE2 2.87Å
77I98.8Very high98.1Very high3 Ų338.7 Ų38.72%0.01518%0.181CC..EExtended strand (participates in β ladder)trans-81.6124.9-177.1-66.4174.3000109.4Y72 F75 W82 L101 C112 A113 I116Y72-I77 PolarHBondContact N-O 2.88Å; Y72-I77 PolarHBondContact O-N 3.31Å; F75-I77 HydrophobicContact CB-CD1 4.36Å; F75-I77 HydrophobicContact CB-CG1 4.09Å; F75-I77 PolarHBondContact O-N 3.1Å; I77-W82 HydrophobicContact CG2-CB 3.38Å; I77-W82 HydrophobicContact CG2-CG 3.94Å; I77-L101 HydrophobicContact CB-CD1 3.87Å; I77-L101 HydrophobicContact CD1-CD1 4.4Å; I77-L101 HydrophobicContact CG2-CD1 3.84Å; I77-C112 HydrophobicContact CD1-CB 3.91Å; I77-A113 HydrophobicContact CD1-CB 4.44Å; I77-I116 HydrophobicContact CD1-CD1 4.4Å; I77-I116 HydrophobicContact CG1-CD1 4.19Å; I77-I116 HydrophobicContact CG2-CD1 4.25Å
78N98.7Very high97.9Very high23 Ų2335.7 Ų35.712%0.12317%0.168CC..EExtended strand (participates in β ladder)trans-76.6135.2-172.5-175-88.8000114.2N65 S69 F70 D71 H80 W82N65-N78 PolarHBondContact ND2-ND2 3.44Å; S69-N78 PolarHBondContact OG-ND2 3.06Å; F70-N78 CarbonylContact O-C 3.52Å; F70-N78 WeakPolarHBondContact O-CA 3.37Å; D71-N78 WeakPolarHBondContact OD1-CA 3.3Å; D71-N78 WeakPolarHBondContact OD1-CB 3.49Å; D71-N78 PolarHBondContact OD1-ND2 3.38Å; N78-H80 WeakPolarHBondContact OD1-CA 3.38Å; N78-H80 WeakPolarHBondContact OD1-CB 3.4Å; N78-H80 PolarHBondContact OD1-N 2.86Å; N78-W82 WeakPolarHBondContact O-CB 3.46Å; N78-W82 PolarHBondContact O-N 3.39Å
79S98.7Very high97.9Very high0 Ų042 Ų420%018%0.184CC..THydrogen-bonded Turntrans-75.6-19-179.263.40000115.3F70 Y81 C83 D85 S90 C98F70-S79 PolarHBondContact N-OG 2.85Å; F70-S79 PolarHBondContact O-N 3.26Å; F70-S79 PolarHBondContact O-OG 3.41Å; S79-Y81 VanDerWaalsContact C-N 3.26Å; S79-Y81 PolarHBondContact O-N 3.18Å; S79-C83 CarbonylContact C-O 3.51Å; S79-C83 WeakPolarHBondContact CA-O 3.49Å; S79-D85 WeakPolarHBondContact CB-OD2 3.03Å; S79-D85 PolarHBondContact OG-OD2 2.69Å; S79-S90 WeakPolarHBondContact O-CB 3.09Å; S79-S90 PolarHBondContact O-OG 3.26Å; S79-C98 WeakPolarHBondContact CB-SG 3.24Å
80H98.5Very high97.9Very high49 Ų4943 Ų4323%0.22719%0.19CC..THydrogen-bonded Turntrans-64.3-34.9176-167.193.2000111.7N78 S90 E91N78-H80 WeakPolarHBondContact OD1-CA 3.38Å; N78-H80 WeakPolarHBondContact OD1-CB 3.4Å; N78-H80 PolarHBondContact OD1-N 2.86Å; H80-S90 WeakPolarHBondContact O-CA 3.39Å; H80-E91 PolarHBondContact O-N 3.08Å
81Y98.4Very high97.9Very high103 Ų10345.3 Ų45.340%0.40420%0.202SC..THydrogen-bonded Turntrans-113.6-43.5-172.9-57.4-78.4000113.7S79 E91 N92 L93S79-Y81 VanDerWaalsContact C-N 3.26Å; S79-Y81 PolarHBondContact O-N 3.18Å; Y81-E91 WeakPolarHBondContact CD1-OE1 3.5Å; Y81-N92 PolarHBondContact O-N 3.35Å; Y81-L93 WeakPolarHBondContact O-CB 3.41Å; Y81-L93 VanDerWaalsContact O-CG 3.27Å; Y81-L93 WeakPolarHBondContact O-CG 3.32Å; Y81-L93 PolarHBondContact O-N 3.36Å
82W98.8Very high97.9Very high49 Ų4945.5 Ų45.519%0.18620%0.203CC..THydrogen-bonded Turntrans-105-36.4-156.8-58.8111.1000114.2I77 N78 N92 L93 C94 I116I77-W82 HydrophobicContact CG2-CB 3.38Å; I77-W82 HydrophobicContact CG2-CG 3.94Å; N78-W82 WeakPolarHBondContact O-CB 3.46Å; N78-W82 PolarHBondContact O-N 3.39Å; W82-N92 CarbonylContact O-C 3.57Å; W82-N92 PolarHBondContact O-OD1 3.1Å; W82-L93 HydrophobicContact CE3-CB 3.81Å; W82-L93 HydrophobicContact CE3-CD1 4.07Å; W82-L93 HydrophobicContact CH2-CD1 4.27Å; W82-L93 HydrophobicContact CZ3-CB 4.04Å; W82-L93 HydrophobicContact CZ3-CD1 3.8Å; W82-L93 PolarHBondContact O-N 3.03Å; W82-C94 WeakPolarHBondContact O-CA 3.46Å; W82-C94 WeakPolarHBondContact O-CB 3.37Å; W82-C94 PolarHBondContact O-N 3.47Å; W82-I116 HydrophobicContact CD2-CD1 3.7Å; W82-I116 HydrophobicContact CD2-CG1 3.52Å; W82-I116 HydrophobicContact CE3-CD1 4.2Å; W82-I116 HydrophobicContact CE3-CG1 3.54Å; W82-I116 HydrophobicContact CG-CD1 3.81Å; W82-I116 HydrophobicContact CG-CG1 4.18Å; W82-I116 HydrophobicContact CH2-CB 4.36Å; W82-I116 HydrophobicContact CH2-CG1 3.86Å; W82-I116 HydrophobicContact CH2-CG2 4.31Å; W82-I116 HydrophobicContact CZ2-CB 4.41Å; W82-I116 HydrophobicContact CZ2-CD1 4.44Å; W82-I116 HydrophobicContact CZ2-CG1 3.82Å; W82-I116 HydrophobicContact CZ2-CG2 4.02Å; W82-I116 HydrophobicContact CZ3-CG1 3.72Å
83C98.8Very high97.9Very high0 Ų047.7 Ų47.70%022%0.215CC..  trans-134.7160.6-178.9640000110.5S79 S90 N92 V96 C98 L101S79-C83 CarbonylContact C-O 3.51Å; S79-C83 WeakPolarHBondContact CA-O 3.49Å; C83-S90 PolarHBondContact O-OG 2.96Å; C83-N92 WeakPolarHBondContact CA-OD1 3.44Å; C83-V96 WeakPolarHBondContact CA-O 3.33Å; C83-V96 HydrophobicContact CB-CG1 3.7Å; C83-V96 WeakPolarHBondContact CB-O 3.22Å; C83-C98 HydrophobicContact CB-CB 3.96Å; C83-C98 WeakPolarHBondContact CB-SG 3.44Å; C83-C98 PolarHBondContact O-SG 3.01Å; C83-C98 WeakPolarHBondContact SG-CA 3.34Å; C83-C98 WeakPolarHBondContact SG-CB 3.42Å; C83-C98 CovalentContact SG-SG 2.03Å; C83-C98 PolarHBondContact SG-SG 3.45Å; C83-L101 HydrophobicContact CB-CD1 3.77Å; C83-L101 WeakPolarHBondContact SG-CD1 3.36Å
84N98.7Very high97.9Very high35 Ų3548.8 Ų48.819%0.18722%0.222CC..BIsolated β-bridgetrans-101.6124.5176-164-8.5000111.6Y86 N92 V96 D97 C98N84-Y86 WeakPolarHBondContact ND2-CE1 3.29Å; N84-Y86 WeakPolarHBondContact OD1-CA 3.35Å; N84-Y86 PolarHBondContact OD1-N 3.42Å; N84-N92 HydrophobicContact CB-CB 4.16Å; N84-V96 PolarHBondContact N-O 3Å; N84-D97 WeakPolarHBondContact O-CA 3.48Å; N84-C98 PolarHBondContact O-N 2.99Å
85D98.2Very high97.9Very high20 Ų2055.3 Ų55.311%0.10725%0.252CS..  trans-102.8-4.6173.763.414.9000113.3Y72 S79 K87 S88 C98Y72-D85 HydrophobicContact CE2-CB 4.08Å; Y72-D85 WeakPolarHBondContact OH-CB 3.27Å; Y72-D85 PolarHBondContact OH-OD2 3.48Å; S79-D85 WeakPolarHBondContact CB-OD2 3.03Å; S79-D85 PolarHBondContact OG-OD2 2.69Å; D85-K87 PolarHBondContact O-N 3.44Å; D85-K87 VanDerWaalsContact O-N 3.16Å; D85-K87 WeakPolarHBondContact OD1-CB 3.4Å; D85-K87 PolarHBondContact OD1-N 3.47Å; D85-S88 PolarHBondContact OD1-N 3.28Å; D85-C98 HydrophobicContact CB-CB 3.97Å; D85-C98 PolarHBondContact N-SG 3.15Å
86Y97.7Very high97.9Very high162 Ų16256.2 Ų56.264%0.63526%0.258SS*.SBendtrans56.620.3-175.1-49.8-83.6000114.6N84 D97N84-Y86 WeakPolarHBondContact ND2-CE1 3.29Å; N84-Y86 WeakPolarHBondContact OD1-CA 3.35Å; N84-Y86 PolarHBondContact OD1-N 3.42Å; Y86-D97 WeakPolarHBondContact CE2-OD1 3.37Å; Y86-D97 VanDerWaalsContact CZ-OD1 3.27Å; Y86-D97 PolarHBondContact OH-OD1 3.22Å
87K95.8Very high97.9Very high147 Ų14758.9 Ų58.964%0.63927%0.273SS*.SBendtrans-107-32.4176.9-63.5179-176.6179.10112.4F70 D85F70-K87 HydrophobicContact CE2-CD 4.41Å; D85-K87 PolarHBondContact O-N 3.44Å; D85-K87 VanDerWaalsContact O-N 3.16Å; D85-K87 WeakPolarHBondContact OD1-CB 3.4Å; D85-K87 PolarHBondContact OD1-N 3.47Å
88S89.8Confident97.9Very high39 Ų3958.8 Ų58.827%0.27327%0.272SS..SBendtrans-136.4174.4179.968.30000111.1D85D85-S88 PolarHBondContact OD1-N 3.28Å
89Y96.2Very high97.9Very high162 Ų16263.8 Ų63.864%0.63530%0.295SS*.  trans-61.8137.8174172.6-96.1000110.2E91Y89-E91 HydrophobicContact CE1-CG 4.02Å
90S98.4Very high97.9Very high22 Ų2267.5 Ų67.515%0.15431%0.314CS..  trans-138.9135178-178.10000111.1S79 H80 C83 N92S79-S90 WeakPolarHBondContact O-CB 3.09Å; S79-S90 PolarHBondContact O-OG 3.26Å; H80-S90 WeakPolarHBondContact O-CA 3.39Å; C83-S90 PolarHBondContact O-OG 2.96Å; S90-N92 VanDerWaalsContact C-N 3.27Å; S90-N92 PolarHBondContact OG-N 3.4Å
91E98.4Very high97.9Very high87 Ų8765.4 Ų65.441%0.40731%0.305SS..  trans-74.6-20.5165.7-62.9-176.6-145.400112.4H80 Y81 Y89 L93H80-E91 PolarHBondContact O-N 3.08Å; Y81-E91 WeakPolarHBondContact CD1-OE1 3.5Å; Y89-E91 HydrophobicContact CE1-CG 4.02Å; E91-L93 VanDerWaalsContact C-N 3.3Å; E91-L93 HydrophobicContact CB-CD2 4.36Å; E91-L93 HydrophobicContact CB-CG 4.03Å; E91-L93 PolarHBondContact O-N 2.97Å
92N98.5Very high97.9Very high29 Ų2961.5 Ų61.516%0.15529%0.291CS..  trans42.951-179.2-167.713.3000113.9Y81 W82 C83 N84 S90 C94 H95 V96Y81-N92 PolarHBondContact O-N 3.35Å; W82-N92 CarbonylContact O-C 3.57Å; W82-N92 PolarHBondContact O-OD1 3.1Å; C83-N92 WeakPolarHBondContact CA-OD1 3.44Å; N84-N92 HydrophobicContact CB-CB 4.16Å; S90-N92 VanDerWaalsContact C-N 3.27Å; S90-N92 PolarHBondContact OG-N 3.4Å; N92-C94 PolarHBondContact O-N 3.33Å; N92-H95 PolarHBondContact O-N 3.48Å; N92-H95 PolarHBondContact O-ND1 2.8Å; N92-H95 VanDerWaalsContact O-ND1 3.16Å; N92-H95 WeakPolarHBondContact OD1-CA 3.5Å; N92-H95 PolarHBondContact OD1-N 2.96Å; N92-V96 PolarHBondContact OD1-N 3.05Å; N92-V96 PolarHBondContact OD1-O 2.04Å; N92-V96 VanDerWaalsContact OD1-O 3.09Å
93L98.6Very high97.7Very high56 Ų5662 Ų6229%0.29330%0.298SS..THydrogen-bonded Turntrans-62.8-26.5-174.9-66.7172.9000113Y81 W82 E91 H95 R115Y81-L93 WeakPolarHBondContact O-CB 3.41Å; Y81-L93 VanDerWaalsContact O-CG 3.27Å; Y81-L93 WeakPolarHBondContact O-CG 3.32Å; Y81-L93 PolarHBondContact O-N 3.36Å; W82-L93 HydrophobicContact CE3-CB 3.81Å; W82-L93 HydrophobicContact CE3-CD1 4.07Å; W82-L93 HydrophobicContact CH2-CD1 4.27Å; W82-L93 HydrophobicContact CZ3-CB 4.04Å; W82-L93 HydrophobicContact CZ3-CD1 3.8Å; W82-L93 PolarHBondContact O-N 3.03Å; E91-L93 VanDerWaalsContact C-N 3.3Å; E91-L93 HydrophobicContact CB-CD2 4.36Å; E91-L93 HydrophobicContact CB-CG 4.03Å; E91-L93 PolarHBondContact O-N 2.97Å; L93-H95 VanDerWaalsContact C-N 3.33Å; L93-R115 PolarHBondContact O-NE 3.37Å; L93-R115 PolarHBondContact O-NH1 3.05Å; L93-R115 VanDerWaalsContact O-NH1 3.08Å; L93-R115 PolarHBondContact O-NH2 2.03Å
94C98.7Very high97.6Very high22 Ų2266.6 Ų66.615%0.14933%0.327CS..THydrogen-bonded Turntrans-83.8-7173.9-64.50000113.6W82 N92 V96 C112W82-C94 WeakPolarHBondContact O-CA 3.46Å; W82-C94 WeakPolarHBondContact O-CB 3.37Å; W82-C94 PolarHBondContact O-N 3.47Å; N92-C94 PolarHBondContact O-N 3.33Å; C94-V96 HydrophobicContact CB-CG1 3.76Å; C94-C112 HydrophobicContact CB-CB 3.68Å; C94-C112 WeakPolarHBondContact CB-SG 3.21Å; C94-C112 WeakPolarHBondContact SG-CA 3.41Å; C94-C112 WeakPolarHBondContact SG-CB 3.44Å; C94-C112 CovalentContact SG-SG 2.04Å; C94-C112 PolarHBondContact SG-SG 3.24Å
95H98.5Very high97.4Very high143 Ų14368.7 Ų68.766%0.66234%0.338SS*.  trans53.950.2-176.1-54.8-50.9000112.9N92 L93N92-H95 PolarHBondContact O-N 3.48Å; N92-H95 PolarHBondContact O-ND1 2.8Å; N92-H95 VanDerWaalsContact O-ND1 3.16Å; N92-H95 WeakPolarHBondContact OD1-CA 3.5Å; N92-H95 PolarHBondContact OD1-N 2.96Å; L93-H95 VanDerWaalsContact C-N 3.33Å
96V98.7Very high97.4Very high23 Ų2368.2 Ų68.214%0.13934%0.336CS..  trans-140.1148.7-174.469.10000110.8C83 N84 N92 C94 D100 L101 A108C83-V96 WeakPolarHBondContact CA-O 3.33Å; C83-V96 HydrophobicContact CB-CG1 3.7Å; C83-V96 WeakPolarHBondContact CB-O 3.22Å; N84-V96 PolarHBondContact N-O 3Å; N92-V96 PolarHBondContact OD1-N 3.05Å; N92-V96 PolarHBondContact OD1-O 2.04Å; N92-V96 VanDerWaalsContact OD1-O 3.09Å; C94-V96 HydrophobicContact CB-CG1 3.76Å; V96-D100 HydrophobicContact CG2-CB 3.96Å; V96-L101 HydrophobicContact CG1-CD2 4.03Å; V96-L101 HydrophobicContact CG2-CD2 4.38Å; V96-A108 HydrophobicContact CG2-CB 4.2Å
97D98.7Very high97.5Very high63 Ų6363.5 Ų63.534%0.33732%0.321SS..BIsolated β-bridgetrans-75.7133.9170.1-75.6-14.6000109.5N84 Y86 Q99 D100N84-D97 WeakPolarHBondContact O-CA 3.48Å; Y86-D97 WeakPolarHBondContact CE2-OD1 3.37Å; Y86-D97 VanDerWaalsContact CZ-OD1 3.27Å; Y86-D97 PolarHBondContact OH-OD1 3.22Å; D97-Q99 PolarHBondContact O-N 2.76Å; D97-D100 WeakPolarHBondContact O-CB 3.24Å; D97-D100 PolarHBondContact O-N 2.85Å
98C98.8Very high97.6Very high0 Ų057.7 Ų57.70%030%0.3CS..THydrogen-bonded Turntrans-59.9-23.9-179.7-64.50000112.6Y72 S79 C83 N84 D85 D100 L101Y72-C98 HydrophobicContact CD1-CB 3.82Å; Y72-C98 HydrophobicContact CD2-CB 3.63Å; Y72-C98 HydrophobicContact CE1-CB 3.86Å; Y72-C98 HydrophobicContact CE2-CB 3.66Å; Y72-C98 HydrophobicContact CG-CB 3.73Å; S79-C98 WeakPolarHBondContact CB-SG 3.24Å; C83-C98 HydrophobicContact CB-CB 3.96Å; C83-C98 WeakPolarHBondContact CB-SG 3.44Å; C83-C98 PolarHBondContact O-SG 3.01Å; C83-C98 WeakPolarHBondContact SG-CA 3.34Å; C83-C98 WeakPolarHBondContact SG-CB 3.42Å; C83-C98 CovalentContact SG-SG 2.03Å; C83-C98 PolarHBondContact SG-SG 3.45Å; N84-C98 PolarHBondContact O-N 2.99Å; D85-C98 HydrophobicContact CB-CB 3.97Å; D85-C98 PolarHBondContact N-SG 3.15Å; C98-D100 VanDerWaalsContact C-N 3.29Å; C98-D100 PolarHBondContact O-N 3.31Å; C98-L101 WeakPolarHBondContact O-CB 3.19Å; C98-L101 PolarHBondContact O-N 3.28Å
99Q98.2Very high98Very high129 Ų12956.2 Ų56.260%0.60329%0.292SS*.THydrogen-bonded Turntrans-65.4-31.3175.2-172.657.653.600112.7D97 L101 L102D97-Q99 PolarHBondContact O-N 2.76Å; Q99-L101 PolarHBondContact O-N 3.49Å; Q99-L102 WeakPolarHBondContact O-CB 3.23Å; Q99-L102 PolarHBondContact O-N 3.35Å
100D98.6Very high98.1Very high77 Ų7748.5 Ų48.541%0.41226%0.262SS..G310 helixtrans-70.2-23.8177.9-67.9-27.3000111.8V96 D97 C98 L102 N103 A108V96-D100 HydrophobicContact CG2-CB 3.96Å; D97-D100 WeakPolarHBondContact O-CB 3.24Å; D97-D100 PolarHBondContact O-N 2.85Å; C98-D100 VanDerWaalsContact C-N 3.29Å; C98-D100 PolarHBondContact O-N 3.31Å; D100-L102 PolarHBondContact O-N 3.39Å; D100-N103 WeakPolarHBondContact O-CB 3.49Å; D100-N103 PolarHBondContact O-N 3.31Å; D100-N103 VanDerWaalsContact O-N 3.12Å; D100-A108 HydrophobicContact CB-CB 3.91Å
101L98.7Very high98.2Very high6 Ų652.9 Ų52.93%0.03128%0.279CS..G310 helixtrans-69.5-14.1175.4-51-177.2000112.9I77 C83 V96 C98 Q99 A108 C112I77-L101 HydrophobicContact CB-CD1 3.87Å; I77-L101 HydrophobicContact CD1-CD1 4.4Å; I77-L101 HydrophobicContact CG2-CD1 3.84Å; C83-L101 HydrophobicContact CB-CD1 3.77Å; C83-L101 WeakPolarHBondContact SG-CD1 3.36Å; V96-L101 HydrophobicContact CG1-CD2 4.03Å; V96-L101 HydrophobicContact CG2-CD2 4.38Å; C98-L101 WeakPolarHBondContact O-CB 3.19Å; C98-L101 PolarHBondContact O-N 3.28Å; Q99-L101 PolarHBondContact O-N 3.49Å; L101-A108 HydrophobicContact CD2-CB 4.11Å; L101-C112 HydrophobicContact CD2-CB 4.4Å
102L98.2Very high98.2Very high20 Ų2048.9 Ų48.911%0.10526%0.261CS..G310 helixtrans-92.70.4175.8-50.7179.5000112.3I62 Y72 Q99 D100I62-L102 HydrophobicContact CD1-CD1 3.65Å; I62-L102 HydrophobicContact CG1-CD1 4.02Å; I62-L102 HydrophobicContact CG1-CD2 4.03Å; Y72-L102 HydrophobicContact CD1-CD1 4.06Å; Y72-L102 HydrophobicContact CD1-CD2 4.06Å; Y72-L102 HydrophobicContact CD1-CG 4.16Å; Q99-L102 WeakPolarHBondContact O-CB 3.23Å; Q99-L102 PolarHBondContact O-N 3.35Å; D100-L102 PolarHBondContact O-N 3.39Å
103N96Very high98.2Very high61 Ų6147.5 Ų47.533%0.32625%0.253SS..  trans-70.1130.7-178-169.1-40.9000110.9D100 N105 L106D100-N103 WeakPolarHBondContact O-CB 3.49Å; D100-N103 PolarHBondContact O-N 3.31Å; D100-N103 VanDerWaalsContact O-N 3.12Å; N103-N105 PolarHBondContact ND2-ND2 3.22Å; N103-N105 PolarHBondContact O-N 3Å; N103-N105 VanDerWaalsContact O-N 3.07Å; N103-N105 PolarHBondContact OD1-N 3.26Å; N103-N105 PolarHBondContact OD1-ND2 3.35Å; N103-N105 PolarHBondContact OD1-OD1 2.85Å; N103-L106 PolarHBondContact O-N 3.03Å
104P95.4Very high98.2Very high95 Ų9546.5 Ų46.562%0.61725%0.247SC*.THydrogen-bonded Turntrans-62.1-14.4179.725.1-36000115.2L106P104-L106 PolarHBondContact O-N 2.77Å
105N95.4Very high98.2Very high80 Ų8051.4 Ų51.443%0.42826%0.262SS..THydrogen-bonded Turntrans-74.3-12.4172.972.624.3000113.8N103 L107N103-N105 PolarHBondContact ND2-ND2 3.22Å; N103-N105 PolarHBondContact O-N 3Å; N103-N105 VanDerWaalsContact O-N 3.07Å; N103-N105 PolarHBondContact OD1-N 3.26Å; N103-N105 PolarHBondContact OD1-ND2 3.35Å; N103-N105 PolarHBondContact OD1-OD1 2.85Å; N105-L107 PolarHBondContact O-N 3.01Å; N105-L107 PolarHBondContact OD1-N 3.37Å; N105-L107 VanDerWaalsContact OD1-N 3.1Å
106L98.3Very high98.2Very high9 Ų944.7 Ų44.75%0.04723%0.231CC..  trans63.5-7.6177.1-49.8-177.5000117.1I22 L27 V30 I59 L74 N103 P104 A108 G109 I110I22-L106 HydrophobicContact CD1-CD1 3.64Å; L27-L106 HydrophobicContact CD1-CD1 3.74Å; V30-L106 HydrophobicContact CG1-CD1 4.28Å; I59-L106 HydrophobicContact CB-CD2 4.25Å; I59-L106 HydrophobicContact CD1-CD2 3.97Å; I59-L106 HydrophobicContact CG1-CD2 3.81Å; I59-L106 HydrophobicContact CG2-CD2 3.47Å; I59-L106 VanDerWaalsContact CG2-CD2 3.47Å; L74-L106 HydrophobicContact CD2-CD1 4.08Å; L74-L106 HydrophobicContact CD2-CD2 4.27Å; N103-L106 PolarHBondContact O-N 3.03Å; P104-L106 PolarHBondContact O-N 2.77Å; L106-A108 PolarHBondContact O-N 3.12Å; L106-G109 PolarHBondContact O-N 3.07Å; L106-I110 HydrophobicContact CB-CD1 3.86Å; L106-I110 HydrophobicContact CB-CG1 4.32Å; L106-I110 WeakPolarHBondContact O-CB 3.15Å; L106-I110 WeakPolarHBondContact O-CG1 3.39Å; L106-I110 PolarHBondContact O-N 2.96Å
107L98.7Very high98.2Very high63 Ų6343.8 Ų43.833%0.3323%0.226SC..Hα-helixtrans-61.3-46.4-169.6-63.2-178000112.6E34 N105 G109 I110 H111E34-L107 VanDerWaalsContact CD-CD2 3.4Å; E34-L107 HydrophobicContact CG-CD2 4.06Å; E34-L107 WeakPolarHBondContact OE1-CD2 3.4Å; N105-L107 PolarHBondContact O-N 3.01Å; N105-L107 PolarHBondContact OD1-N 3.37Å; N105-L107 VanDerWaalsContact OD1-N 3.1Å; L107-G109 VanDerWaalsContact C-N 3.33Å; L107-G109 PolarHBondContact O-N 2.83Å; L107-I110 PolarHBondContact O-N 3.28Å; L107-H111 WeakPolarHBondContact O-CB 3.01Å; L107-H111 PolarHBondContact O-CD2 2.8Å; L107-H111 PolarHBondContact O-N 3.04Å
108A98.7Very high98.2Very high25 Ų2543.7 Ų43.721%0.20723%0.23CC..Hα-helixtrans-60.3-43.5178.100000111.8V96 D100 L101 L106 C112V96-A108 HydrophobicContact CG2-CB 4.2Å; D100-A108 HydrophobicContact CB-CB 3.91Å; L101-A108 HydrophobicContact CD2-CB 4.11Å; L106-A108 PolarHBondContact O-N 3.12Å; A108-C112 WeakPolarHBondContact O-CB 3.13Å; A108-C112 PolarHBondContact O-N 2.73Å
109G98.8Very high98.1Very high9 Ų945.4 Ų45.49%0.09325%0.247CC..Hα-helixtrans-62.4-44.9175.100000112.8L106 L107 A113L106-G109 PolarHBondContact O-N 3.07Å; L107-G109 VanDerWaalsContact C-N 3.33Å; L107-G109 PolarHBondContact O-N 2.83Å; G109-A113 VanDerWaalsContact O-CB 3.24Å; G109-A113 WeakPolarHBondContact O-CB 3.45Å; G109-A113 PolarHBondContact O-N 3.45Å
110I98.9Very high97.9Very high0 Ų044.9 Ų44.90%027%0.265CS..Hα-helixtrans-64.9-47.7178.9-74.6170.5000111.3V30 L31 E34 L36 F75 L106 L107 C112 A113 K114V30-I110 HydrophobicContact CG1-CD1 3.74Å; L31-I110 HydrophobicContact CD2-CD1 4.03Å; L31-I110 HydrophobicContact CD2-CG1 4.14Å; E34-I110 HydrophobicContact CB-CD1 4.32Å; E34-I110 HydrophobicContact CB-CG2 4.03Å; E34-I110 HydrophobicContact CG-CD1 3.98Å; E34-I110 HydrophobicContact CG-CG2 4.47Å; L36-I110 HydrophobicContact CD1-CG2 3.51Å; L36-I110 HydrophobicContact CD2-CG2 4.29Å; L36-I110 HydrophobicContact CG-CG2 4.41Å; F75-I110 HydrophobicContact CE2-CG1 3.99Å; F75-I110 HydrophobicContact CZ-CG1 4.46Å; L106-I110 HydrophobicContact CB-CD1 3.86Å; L106-I110 HydrophobicContact CB-CG1 4.32Å; L106-I110 WeakPolarHBondContact O-CB 3.15Å; L106-I110 WeakPolarHBondContact O-CG1 3.39Å; L106-I110 PolarHBondContact O-N 2.96Å; L107-I110 PolarHBondContact O-N 3.28Å; I110-C112 VanDerWaalsContact C-N 3.34Å; I110-C112 PolarHBondContact O-N 2.77Å; I110-A113 PolarHBondContact O-N 2.86Å; I110-K114 WeakPolarHBondContact O-CG 3.38Å; I110-K114 PolarHBondContact O-N 3.16Å
111H98.9Very high97.8Very high113 Ų11348.1 Ų48.152%0.52327%0.272SS..Hα-helixtrans-61.4-43.2178.5-76.7-60.4000111.9L107 K114 R115L107-H111 WeakPolarHBondContact O-CB 3.01Å; L107-H111 PolarHBondContact O-CD2 2.8Å; L107-H111 PolarHBondContact O-N 3.04Å; H111-K114 PolarHBondContact O-N 2.92Å; H111-R115 PolarHBondContact O-N 3.23Å; H111-R115 VanDerWaalsContact O-N 3.1Å
112C98.9Very high97.8Very high3 Ų348.1 Ų48.12%0.0227%0.274CS..Hα-helixtrans-67.9-42.1177.1-173.60000111.7I77 C94 L101 A108 I110 K114 R115 I116I77-C112 HydrophobicContact CD1-CB 3.91Å; C94-C112 HydrophobicContact CB-CB 3.68Å; C94-C112 WeakPolarHBondContact CB-SG 3.21Å; C94-C112 WeakPolarHBondContact SG-CA 3.41Å; C94-C112 WeakPolarHBondContact SG-CB 3.44Å; C94-C112 CovalentContact SG-SG 2.04Å; C94-C112 PolarHBondContact SG-SG 3.24Å; L101-C112 HydrophobicContact CD2-CB 4.4Å; A108-C112 WeakPolarHBondContact O-CB 3.13Å; A108-C112 PolarHBondContact O-N 2.73Å; I110-C112 VanDerWaalsContact C-N 3.34Å; I110-C112 PolarHBondContact O-N 2.77Å; C112-K114 PolarHBondContact O-N 3.19Å; C112-R115 WeakPolarHBondContact O-CB 3.19Å; C112-R115 PolarHBondContact O-N 2.72Å; C112-R115 VanDerWaalsContact O-N 3.1Å; C112-I116 WeakPolarHBondContact O-CG1 3.22Å; C112-I116 PolarHBondContact O-N 2.82Å
113A98.9Very high97.8Very high0 Ų047.2 Ų47.20%027%0.269CS..Hα-helixtrans-61.5-40.7175.800000112.6W47 F75 I77 G109 I110 R115 I116 V117 W126W47-A113 HydrophobicContact CZ3-CB 3.96Å; F75-A113 HydrophobicContact CD2-CB 3.73Å; F75-A113 HydrophobicContact CE2-CB 4.08Å; F75-A113 HydrophobicContact CG-CB 4.24Å; I77-A113 HydrophobicContact CD1-CB 4.44Å; G109-A113 VanDerWaalsContact O-CB 3.24Å; G109-A113 WeakPolarHBondContact O-CB 3.45Å; G109-A113 PolarHBondContact O-N 3.45Å; I110-A113 PolarHBondContact O-N 2.86Å; A113-R115 VanDerWaalsContact C-N 3.34Å; A113-R115 PolarHBondContact O-N 3.29Å; A113-I116 PolarHBondContact O-N 2.89Å; A113-V117 WeakPolarHBondContact O-CB 3.36Å; A113-V117 WeakPolarHBondContact O-CG2 3.37Å; A113-V117 PolarHBondContact O-N 2.93Å; A113-W126 HydrophobicContact CB-CH2 4.34Å; A113-W126 HydrophobicContact CB-CZ2 4.38Å
114K98.9Very high97.9Very high36 Ų3647.1 Ų47.116%0.15727%0.268CS..Hα-helixtrans-56.7-46.4170.8-79.8-173.5170.3-171.90111.6E34 D35 L36 F39 I110 H111 C112 I116 V117 S118E34-K114 VanDerWaalsContact O-CE 3.23Å; E34-K114 WeakPolarHBondContact O-CE 3.42Å; E34-K114 PolarHBondContact O-NZ 3.44Å; D35-K114 PolarHBondContact O-NZ 2.94Å; L36-K114 HydrophobicContact CD2-CG 4.4Å; L36-K114 HydrophobicContact CG-CG 4.47Å; F39-K114 HydrophobicContact CD1-CG 4.11Å; F39-K114 HydrophobicContact CD2-CD 4.32Å; F39-K114 HydrophobicContact CE1-CB 3.8Å; F39-K114 HydrophobicContact CE1-CD 4.45Å; F39-K114 HydrophobicContact CE1-CG 3.78Å; F39-K114 HydrophobicContact CE2-CD 4.02Å; F39-K114 HydrophobicContact CE2-CG 4.25Å; F39-K114 HydrophobicContact CG-CG 4.47Å; F39-K114 HydrophobicContact CZ-CB 3.77Å; F39-K114 HydrophobicContact CZ-CD 4.09Å; F39-K114 HydrophobicContact CZ-CG 3.86Å; I110-K114 WeakPolarHBondContact O-CG 3.38Å; I110-K114 PolarHBondContact O-N 3.16Å; H111-K114 PolarHBondContact O-N 2.92Å; C112-K114 PolarHBondContact O-N 3.19Å; K114-I116 VanDerWaalsContact C-N 3.34Å; K114-I116 PolarHBondContact O-N 2.99Å; K114-V117 PolarHBondContact O-N 2.75Å; K114-S118 PolarHBondContact O-N 2.84Å; K114-S118 PolarHBondContact O-OG 3.07Å
115R98.8Very high98Very high124 Ų12445.1 Ų45.147%0.46825%0.253SS..Hα-helixtrans-59.8-42.7177.1-178.2171.8-177.1145.4-5.8112.5L93 H111 C112 A113 V117L93-R115 PolarHBondContact O-NE 3.37Å; L93-R115 PolarHBondContact O-NH1 3.05Å; L93-R115 VanDerWaalsContact O-NH1 3.08Å; L93-R115 PolarHBondContact O-NH2 2.03Å; H111-R115 PolarHBondContact O-N 3.23Å; H111-R115 VanDerWaalsContact O-N 3.1Å; C112-R115 WeakPolarHBondContact O-CB 3.19Å; C112-R115 PolarHBondContact O-N 2.72Å; C112-R115 VanDerWaalsContact O-N 3.1Å; A113-R115 VanDerWaalsContact C-N 3.34Å; A113-R115 PolarHBondContact O-N 3.29Å; R115-V117 VanDerWaalsContact C-N 3.34Å
116I98.8Very high98.2Very high3 Ų342 Ų422%0.01524%0.235CC..Hα-helixtrans-62.4-44.3176.6-63.3168.1000110.4I77 W82 C112 A113 K114 G119 N125 W126I77-I116 HydrophobicContact CD1-CD1 4.4Å; I77-I116 HydrophobicContact CG1-CD1 4.19Å; I77-I116 HydrophobicContact CG2-CD1 4.25Å; W82-I116 HydrophobicContact CD2-CD1 3.7Å; W82-I116 HydrophobicContact CD2-CG1 3.52Å; W82-I116 HydrophobicContact CE3-CD1 4.2Å; W82-I116 HydrophobicContact CE3-CG1 3.54Å; W82-I116 HydrophobicContact CG-CD1 3.81Å; W82-I116 HydrophobicContact CG-CG1 4.18Å; W82-I116 HydrophobicContact CH2-CB 4.36Å; W82-I116 HydrophobicContact CH2-CG1 3.86Å; W82-I116 HydrophobicContact CH2-CG2 4.31Å; W82-I116 HydrophobicContact CZ2-CB 4.41Å; W82-I116 HydrophobicContact CZ2-CD1 4.44Å; W82-I116 HydrophobicContact CZ2-CG1 3.82Å; W82-I116 HydrophobicContact CZ2-CG2 4.02Å; W82-I116 HydrophobicContact CZ3-CG1 3.72Å; C112-I116 WeakPolarHBondContact O-CG1 3.22Å; C112-I116 PolarHBondContact O-N 2.82Å; A113-I116 PolarHBondContact O-N 2.89Å; K114-I116 VanDerWaalsContact C-N 3.34Å; K114-I116 PolarHBondContact O-N 2.99Å; I116-G119 PolarHBondContact O-N 3.09Å; I116-G119 VanDerWaalsContact O-N 3.15Å; I116-N125 HydrophobicContact CG2-CB 3.71Å; I116-N125 WeakPolarHBondContact CG2-ND2 3.48Å; I116-N125 PolarHBondContact O-ND2 2.94Å; I116-W126 HydrophobicContact CB-CH2 3.63Å; I116-W126 HydrophobicContact CB-CZ2 4.33Å; I116-W126 HydrophobicContact CB-CZ3 4.21Å; I116-W126 HydrophobicContact CD1-CH2 4.05Å; I116-W126 HydrophobicContact CD1-CZ2 3.86Å; I116-W126 HydrophobicContact CG1-CH2 4.44Å; I116-W126 HydrophobicContact CG2-CE3 4.37Å; I116-W126 HydrophobicContact CG2-CH2 3.39Å; I116-W126 HydrophobicContact CG2-CZ2 4.08Å; I116-W126 HydrophobicContact CG2-CZ3 3.54Å
117V98.6Very high98.1Very high3 Ų345.1 Ų45.12%0.01825%0.254CS..Hα-helixtrans-71.6-31.4-177.5170.40000113.2F39 E40 Y42 W47 A113 K114 R115 G119 G122 M123 W126F39-V117 HydrophobicContact CD1-CG1 4.24Å; F39-V117 HydrophobicContact CE1-CB 4.45Å; F39-V117 HydrophobicContact CE1-CG1 4.31Å; E40-V117 HydrophobicContact CB-CG1 3.83Å; E40-V117 HydrophobicContact CG-CG1 4.06Å; Y42-V117 HydrophobicContact CD2-CG1 3.57Å; Y42-V117 HydrophobicContact CE2-CG1 3.62Å; W47-V117 HydrophobicContact CH2-CB 3.99Å; W47-V117 HydrophobicContact CH2-CG1 4.3Å; W47-V117 HydrophobicContact CH2-CG2 3.48Å; W47-V117 VanDerWaalsContact CH2-CG2 3.48Å; W47-V117 HydrophobicContact CZ2-CB 4.44Å; W47-V117 HydrophobicContact CZ2-CG1 4.27Å; W47-V117 HydrophobicContact CZ2-CG2 4.18Å; W47-V117 HydrophobicContact CZ3-CG2 4.13Å; A113-V117 WeakPolarHBondContact O-CB 3.36Å; A113-V117 WeakPolarHBondContact O-CG2 3.37Å; A113-V117 PolarHBondContact O-N 2.93Å; K114-V117 PolarHBondContact O-N 2.75Å; R115-V117 VanDerWaalsContact C-N 3.34Å; V117-G119 PolarHBondContact O-N 3Å; V117-G122 VanDerWaalsContact O-CA 3.31Å; V117-G122 WeakPolarHBondContact O-CA 3.15Å; V117-M123 HydrophobicContact CG2-CG 3.81Å; V117-W126 HydrophobicContact CG2-CH2 3.87Å; V117-W126 HydrophobicContact CG2-CZ3 3.53Å
118S98.5Very high98.1Very high62 Ų6245.7 Ų45.743%0.43426%0.255SS..THydrogen-bonded Turntrans-70.2-8.6171-66.50000113.3F39 E40 K114F39-S118 WeakPolarHBondContact CZ-OG 3.39Å; E40-S118 WeakPolarHBondContact OE1-CB 3.23Å; E40-S118 PolarHBondContact OE1-OG 3.01Å; K114-S118 PolarHBondContact O-N 2.84Å; K114-S118 PolarHBondContact O-OG 3.07Å
119G97.1Very high98.1Very high35 Ų3545 Ų4536%0.36125%0.247SC..SBendtrans-73.9163.2171.300000112.7I116 V117 R121 G122I116-G119 PolarHBondContact O-N 3.09Å; I116-G119 VanDerWaalsContact O-N 3.15Å; V117-G119 PolarHBondContact O-N 3Å; G119-R121 PolarHBondContact O-N 2.96Å; G119-G122 PolarHBondContact O-N 2.95Å
120A93.7Very high98.1Very high119 Ų11948.9 Ų48.998%0.98326%0.259SS*.THydrogen-bonded Turntrans-56.3-21.2-17300000115.8
121R96.5Very high98.1Very high144 Ų14453.5 Ų53.554%0.54328%0.283SS..THydrogen-bonded Turntrans-93.6-14.3179.3-61-178.576.7164.56.6113G119 N124 R130G119-R121 PolarHBondContact O-N 2.96Å; R121-N124 HydrophobicContact CB-CB 4.48Å; R121-N124 WeakPolarHBondContact O-CA 3.47Å; R121-N124 WeakPolarHBondContact O-CB 3.49Å; R121-N124 PolarHBondContact O-N 3.39Å; R121-N124 PolarHBondContact O-ND2 3.48Å; R121-R130 VanDerWaalsContact NH2-NH1 3.14Å
122G97.9Very high98.1Very high7 Ų752.7 Ų52.77%0.07228%0.279CS..G310 helixtrans56.3-140.5-176.500000112.9V117 G119 N124 N125V117-G122 VanDerWaalsContact O-CA 3.31Å; V117-G122 WeakPolarHBondContact O-CA 3.15Å; G119-G122 PolarHBondContact O-N 2.95Å; G122-N124 PolarHBondContact O-N 3.05Å; G122-N124 VanDerWaalsContact O-N 3.16Å; G122-N125 PolarHBondContact O-N 3.45Å; G122-N125 PolarHBondContact O-ND2 3.19Å
123M98.4Very high98.1Very high0 Ų052.6 Ų52.60%028%0.278CS..G310 helixtrans-66.2-10172.6-70.7-169.1174.300113.7Y42 D46 W47 L50 V117 N125 W126 W129Y42-M123 HydrophobicContact CD1-CB 4.29Å; Y42-M123 HydrophobicContact CD1-CE 4.17Å; Y42-M123 HydrophobicContact CD1-CG 3.85Å; Y42-M123 HydrophobicContact CD1-SD 3.49Å; Y42-M123 WeakPolarHBondContact CD1-SD 3.38Å; Y42-M123 HydrophobicContact CD2-CE 4.43Å; Y42-M123 HydrophobicContact CD2-CG 4.07Å; Y42-M123 HydrophobicContact CD2-SD 4.45Å; Y42-M123 HydrophobicContact CE1-CB 3.73Å; Y42-M123 HydrophobicContact CE1-CG 3.76Å; Y42-M123 HydrophobicContact CE1-SD 3.91Å; Y42-M123 HydrophobicContact CE2-CB 4.35Å; Y42-M123 HydrophobicContact CE2-CG 3.99Å; Y42-M123 HydrophobicContact CG-CE 3.86Å; Y42-M123 HydrophobicContact CG-CG 3.98Å; Y42-M123 HydrophobicContact CG-SD 3.79Å; Y42-M123 PolarHBondContact OH-N 2.92Å; Y42-M123 VanDerWaalsContact OH-N 3.09Å; D46-M123 HydrophobicContact CB-CE 4.11Å; D46-M123 HydrophobicContact CB-SD 3.87Å; W47-M123 HydrophobicContact CB-CE 4.43Å; W47-M123 HydrophobicContact CD2-CE 3.14Å; W47-M123 HydrophobicContact CE3-CE 3.41Å; W47-M123 VanDerWaalsContact CE3-CE 3.41Å; W47-M123 HydrophobicContact CG-CE 3.65Å; W47-M123 HydrophobicContact CH2-CE 3.87Å; W47-M123 HydrophobicContact CZ2-CE 3.61Å; W47-M123 HydrophobicContact CZ3-CE 3.75Å; L50-M123 HydrophobicContact CD2-CE 4.46Å; V117-M123 HydrophobicContact CG2-CG 3.81Å; M123-N125 PolarHBondContact O-N 2.88Å; M123-N125 VanDerWaalsContact O-N 3.09Å; M123-W126 HydrophobicContact CB-CE3 4.44Å; M123-W126 PolarHBondContact O-N 3.26Å; M123-W126 VanDerWaalsContact O-N 3.08Å; M123-W129 HydrophobicContact CB-CD2 3.68Å; M123-W129 HydrophobicContact CB-CE3 3.68Å; M123-W129 HydrophobicContact CB-CG 4.31Å; M123-W129 HydrophobicContact CB-CH2 4.14Å; M123-W129 HydrophobicContact CB-CZ2 4.11Å; M123-W129 HydrophobicContact CB-CZ3 3.91Å; M123-W129 HydrophobicContact SD-CD2 4.15Å; M123-W129 HydrophobicContact SD-CG 4.48Å; M123-W129 HydrophobicContact SD-CZ2 3.77Å; M123-W129 PolarHBondContact SD-NE1 3.45Å; M123-W129 VanDerWaalsContact SD-NE1 3.37Å
124N97.9Very high98Very high60 Ų6055 Ų5532%0.32130%0.296SS..G310 helixtrans-69.9-1.9173.7-59.7-61.7000113R121 G122 W126 R130R121-N124 HydrophobicContact CB-CB 4.48Å; R121-N124 WeakPolarHBondContact O-CA 3.47Å; R121-N124 WeakPolarHBondContact O-CB 3.49Å; R121-N124 PolarHBondContact O-N 3.39Å; R121-N124 PolarHBondContact O-ND2 3.48Å; G122-N124 PolarHBondContact O-N 3.05Å; G122-N124 VanDerWaalsContact O-N 3.16Å; N124-W126 VanDerWaalsContact C-N 3.27Å; N124-R130 HydrophobicContact CB-CG 4.03Å; N124-R130 WeakPolarHBondContact O-CD 3.45Å; N124-R130 PolarHBondContact O-NH1 2.63Å; N124-R130 WeakPolarHBondContact OD1-CG 3.08Å
125N97.8Very high97.9Very high53 Ų5357.4 Ų57.428%0.28333%0.33SS..G310 helixtrans-66-30.5165.7-76.8-58.8000112.3I116 G122 M123I116-N125 HydrophobicContact CG2-CB 3.71Å; I116-N125 WeakPolarHBondContact CG2-ND2 3.48Å; I116-N125 PolarHBondContact O-ND2 2.94Å; G122-N125 PolarHBondContact O-N 3.45Å; G122-N125 PolarHBondContact O-ND2 3.19Å; M123-N125 PolarHBondContact O-N 2.88Å; M123-N125 VanDerWaalsContact O-N 3.09Å
126W98.6Very high97.8Very high15 Ų1558.4 Ų58.46%0.05733%0.334CS..  trans-89.9114.7178.8-69.7-90.2000111.3L50 E54 F75 A113 I116 V117 M123 N124 E128 W129 R130L50-W126 HydrophobicContact CD1-CB 3.61Å; L50-W126 HydrophobicContact CD1-CD2 3.8Å; L50-W126 HydrophobicContact CD1-CE3 4.44Å; L50-W126 HydrophobicContact CD1-CG 3.41Å; L50-W126 VanDerWaalsContact CD1-CG 3.41Å; L50-W126 HydrophobicContact CD2-CD2 4.09Å; L50-W126 HydrophobicContact CD2-CE3 4.27Å; L50-W126 HydrophobicContact CD2-CH2 4.45Å; L50-W126 HydrophobicContact CD2-CZ2 4.3Å; L50-W126 HydrophobicContact CD2-CZ3 4.46Å; E54-W126 WeakPolarHBondContact OE1-CB 3.35Å; F75-W126 PolarHBondContact O-NE1 3.25Å; A113-W126 HydrophobicContact CB-CH2 4.34Å; A113-W126 HydrophobicContact CB-CZ2 4.38Å; I116-W126 HydrophobicContact CB-CH2 3.63Å; I116-W126 HydrophobicContact CB-CZ2 4.33Å; I116-W126 HydrophobicContact CB-CZ3 4.21Å; I116-W126 HydrophobicContact CD1-CH2 4.05Å; I116-W126 HydrophobicContact CD1-CZ2 3.86Å; I116-W126 HydrophobicContact CG1-CH2 4.44Å; I116-W126 HydrophobicContact CG2-CE3 4.37Å; I116-W126 HydrophobicContact CG2-CH2 3.39Å; I116-W126 HydrophobicContact CG2-CZ2 4.08Å; I116-W126 HydrophobicContact CG2-CZ3 3.54Å; V117-W126 HydrophobicContact CG2-CH2 3.87Å; V117-W126 HydrophobicContact CG2-CZ3 3.53Å; M123-W126 HydrophobicContact CB-CE3 4.44Å; M123-W126 PolarHBondContact O-N 3.26Å; M123-W126 VanDerWaalsContact O-N 3.08Å; N124-W126 VanDerWaalsContact C-N 3.27Å; W126-E128 PolarHBondContact O-N 3.22Å; W126-W129 HydrophobicContact CB-CB 3.84Å; W126-W129 PolarHBondContact O-N 3.13Å; W126-R130 WeakPolarHBondContact O-CG 3.42Å; W126-R130 PolarHBondContact O-N 2.93Å
127V97.6Very high97.7Very high74 Ų7462.6 Ų62.645%0.44836%0.362SS..Hα-helixtrans-61.6-46.3-177.11790000110.9W129 R130 L131V127-W129 VanDerWaalsContact C-N 3.33Å; V127-W129 PolarHBondContact O-N 3.33Å; V127-R130 WeakPolarHBondContact O-CB 3.36Å; V127-R130 PolarHBondContact O-N 2.93Å; V127-L131 HydrophobicContact CG1-CD1 4.05Å; V127-L131 WeakPolarHBondContact O-CG 3.28Å; V127-L131 PolarHBondContact O-N 3.41Å
128E98.3Very high97.6Very high74 Ų7463 Ų6335%0.34636%0.363SS..Hα-helixtrans-63.4-40.1-178.3-65.2-60.213200111.5V53 W126 R130 L131 H132V53-E128 HydrophobicContact CB-CB 4.1Å; V53-E128 HydrophobicContact CG2-CB 3.75Å; W126-E128 PolarHBondContact O-N 3.22Å; E128-R130 PolarHBondContact O-N 3.06Å; E128-L131 PolarHBondContact O-N 2.86Å; E128-H132 WeakPolarHBondContact O-CB 3.21Å; E128-H132 PolarHBondContact O-CD2 2.84Å; E128-H132 PolarHBondContact O-N 2.77Å; E128-H132 IonicContact OE2-CD2 3.26Å; E128-H132 PolarHBondContact OE2-CD2 2.75Å; E128-H132 VanDerWaalsContact OE2-CD2 3.26Å; E128-H132 IonicContact OE2-NE2 3.44Å; E128-H132 PolarHBondContact OE2-NE2 3.33Å
129W98.7Very high97.4Very high10 Ų1067.4 Ų67.44%0.03838%0.375CS..Hα-helixtrans-61.2-42.1174.9-173.190.7000112.4Y42 D46 L50 M123 W126 V127 L131 H132 C133 S134Y42-W129 HydrophobicContact CD1-CH2 4.33Å; Y42-W129 HydrophobicContact CD1-CZ2 4.11Å; Y42-W129 AromaticContact CE1-CH2 3.71Å; Y42-W129 HydrophobicContact CE1-CH2 3.71Å; Y42-W129 AromaticContact CE1-CZ2 3.94Å; Y42-W129 HydrophobicContact CE1-CZ2 3.94Å; Y42-W129 HydrophobicContact CE1-CZ3 4.46Å; D46-W129 HydrophobicContact CB-CZ2 4.25Å; D46-W129 PolarHBondContact O-NE1 2.62Å; L50-W129 HydrophobicContact CB-CG 4.46Å; L50-W129 HydrophobicContact CD1-CB 3.76Å; L50-W129 HydrophobicContact CD1-CG 4.19Å; M123-W129 HydrophobicContact CB-CD2 3.68Å; M123-W129 HydrophobicContact CB-CE3 3.68Å; M123-W129 HydrophobicContact CB-CG 4.31Å; M123-W129 HydrophobicContact CB-CH2 4.14Å; M123-W129 HydrophobicContact CB-CZ2 4.11Å; M123-W129 HydrophobicContact CB-CZ3 3.91Å; M123-W129 HydrophobicContact SD-CD2 4.15Å; M123-W129 HydrophobicContact SD-CG 4.48Å; M123-W129 HydrophobicContact SD-CZ2 3.77Å; M123-W129 PolarHBondContact SD-NE1 3.45Å; M123-W129 VanDerWaalsContact SD-NE1 3.37Å; W126-W129 HydrophobicContact CB-CB 3.84Å; W126-W129 PolarHBondContact O-N 3.13Å; V127-W129 VanDerWaalsContact C-N 3.33Å; V127-W129 PolarHBondContact O-N 3.33Å; W129-L131 VanDerWaalsContact C-N 3.29Å; W129-L131 PolarHBondContact O-N 2.99Å; W129-H132 PolarHBondContact O-N 3.27Å; W129-C133 VanDerWaalsContact CD1-SG 3.52Å; W129-C133 HydrophobicContact CD2-CB 3.95Å; W129-C133 HydrophobicContact CG-CB 3.75Å; W129-C133 HydrophobicContact CZ2-CB 4.41Å; W129-C133 VanDerWaalsContact NE1-CB 3.35Å; W129-C133 WeakPolarHBondContact O-CA 3.46Å; W129-C133 VanDerWaalsContact O-CB 3.26Å; W129-C133 WeakPolarHBondContact O-CB 3.04Å; W129-C133 PolarHBondContact O-N 3.04Å; W129-S134 VanDerWaalsContact CZ3-CB 3.42Å; W129-S134 PolarHBondContact O-N 3.04Å
130R98.3Very high97.3Very high91 Ų9171.3 Ų71.334%0.34338%0.38SS..Hα-helixtrans-60.1-40.1176.3-66.7-169-55.5-135.76.8112.4R121 N124 W126 V127 E128R121-R130 VanDerWaalsContact NH2-NH1 3.14Å; N124-R130 HydrophobicContact CB-CG 4.03Å; N124-R130 WeakPolarHBondContact O-CD 3.45Å; N124-R130 PolarHBondContact O-NH1 2.63Å; N124-R130 WeakPolarHBondContact OD1-CG 3.08Å; W126-R130 WeakPolarHBondContact O-CG 3.42Å; W126-R130 PolarHBondContact O-N 2.93Å; V127-R130 WeakPolarHBondContact O-CB 3.36Å; V127-R130 PolarHBondContact O-N 2.93Å; E128-R130 PolarHBondContact O-N 3.06Å
131L98.5Very high97.5Very high97 Ų9766.7 Ų66.751%0.50834%0.337SS..Hα-helixtrans-76.7-37.8-176.4-65.3175.3000112.2V127 E128 W129 R136V127-L131 HydrophobicContact CG1-CD1 4.05Å; V127-L131 WeakPolarHBondContact O-CG 3.28Å; V127-L131 PolarHBondContact O-N 3.41Å; E128-L131 PolarHBondContact O-N 2.86Å; W129-L131 VanDerWaalsContact C-N 3.29Å; W129-L131 PolarHBondContact O-N 2.99Å; L131-R136 PolarHBondContact O-NH2 2.86Å; L131-R136 VanDerWaalsContact O-NH2 3.09Å
132H98.5Very high97.6Very high97 Ų9762.2 Ų62.245%0.44932%0.323SS..Hα-helixtrans-113.8-13.9-165.3-64.6-65.9000115.4V53 E128 W129 R136V53-H132 HydrophobicContact CG1-CB 3.75Å; E128-H132 WeakPolarHBondContact O-CB 3.21Å; E128-H132 PolarHBondContact O-CD2 2.84Å; E128-H132 PolarHBondContact O-N 2.77Å; E128-H132 IonicContact OE2-CD2 3.26Å; E128-H132 PolarHBondContact OE2-CD2 2.75Å; E128-H132 VanDerWaalsContact OE2-CD2 3.26Å; E128-H132 IonicContact OE2-NE2 3.44Å; E128-H132 PolarHBondContact OE2-NE2 3.33Å; W129-H132 PolarHBondContact O-N 3.27Å; H132-R136 VanDerWaalsContact O-CD 3.24Å; H132-R136 WeakPolarHBondContact O-CD 3.35Å
133C98.7Very high97.6Very high0 Ų066 Ų660%035%0.345CS..THydrogen-bonded Turntrans-123.2-45.1-175.6-55.10000112.7C49 W129 G135 R136 L138C49-C133 VanDerWaalsContact C-SG 3.51Å; C49-C133 HydrophobicContact CB-CB 3.8Å; C49-C133 WeakPolarHBondContact CB-SG 3.36Å; C49-C133 VanDerWaalsContact SG-CA 3.58Å; C49-C133 WeakPolarHBondContact SG-CB 3.17Å; C49-C133 CovalentContact SG-SG 2.03Å; C49-C133 PolarHBondContact SG-SG 3.29Å; W129-C133 VanDerWaalsContact CD1-SG 3.52Å; W129-C133 HydrophobicContact CD2-CB 3.95Å; W129-C133 HydrophobicContact CG-CB 3.75Å; W129-C133 HydrophobicContact CZ2-CB 4.41Å; W129-C133 VanDerWaalsContact NE1-CB 3.35Å; W129-C133 WeakPolarHBondContact O-CA 3.46Å; W129-C133 VanDerWaalsContact O-CB 3.26Å; W129-C133 WeakPolarHBondContact O-CB 3.04Å; W129-C133 PolarHBondContact O-N 3.04Å; C133-G135 PolarHBondContact O-N 2.89Å; C133-R136 WeakPolarHBondContact O-CB 3.43Å; C133-R136 PolarHBondContact O-N 2.69Å; C133-R136 VanDerWaalsContact O-N 3.14Å; C133-L138 HydrophobicContact CB-CD1 4.16Å
134S98.2Very high97.5Very high52 Ų5269.4 Ų69.436%0.36438%0.38SS..THydrogen-bonded Turntrans-54.7128.1-174.3-1680000113.2W129 R136W129-S134 VanDerWaalsContact CZ3-CB 3.42Å; W129-S134 PolarHBondContact O-N 3.04Å; S134-R136 PolarHBondContact O-N 2.88Å
135G96.2Very high97.5Very high86 Ų8667.6 Ų67.689%0.88737%0.372SS*.THydrogen-bonded Turntrans69.110.5177.200000115.4C133C133-G135 PolarHBondContact O-N 2.89Å
136R97.1Very high97.4Very high144 Ų14475.6 Ų75.654%0.54340%0.398SS..SBendtrans-99.8156179.2-63.1-178.7-172-90.62.3111.4L131 H132 C133 S134 L138L131-R136 PolarHBondContact O-NH2 2.86Å; L131-R136 VanDerWaalsContact O-NH2 3.09Å; H132-R136 VanDerWaalsContact O-CD 3.24Å; H132-R136 WeakPolarHBondContact O-CD 3.35Å; C133-R136 WeakPolarHBondContact O-CB 3.43Å; C133-R136 PolarHBondContact O-N 2.69Å; C133-R136 VanDerWaalsContact O-N 3.14Å; S134-R136 PolarHBondContact O-N 2.88Å; R136-L138 HydrophobicContact CB-CD2 4.24Å; R136-L138 WeakPolarHBondContact O-CG 3.31Å; R136-L138 PolarHBondContact O-N 2.81Å; R136-L138 VanDerWaalsContact O-N 3.16Å
137P95.7Very high97.1Very high92 Ų9277.4 Ų77.460%0.59741%0.409SS*.  trans-70.1111.1171.827.6-32.7000109.8F139 Y140P137-F139 HydrophobicContact CB-CD1 4.05Å; P137-F139 HydrophobicContact CB-CE1 3.94Å; P137-Y140 WeakPolarHBondContact O-CE1 3.22Å
138L97.6Very high96.1Very high10 Ų1087.4 Ų87.45%0.05244%0.439CS..  trans-105.20.8-176.1-63-174.4000114S45 D46 C49 C133 R136 Y140 W141S45-L138 VanDerWaalsContact CB-O 3.31Å; S45-L138 WeakPolarHBondContact CB-O 3.32Å; S45-L138 PolarHBondContact OG-O 3.23Å; D46-L138 HydrophobicContact CB-CD1 4.47Å; D46-L138 WeakPolarHBondContact OD1-CD1 3.42Å; C49-L138 HydrophobicContact CB-CD1 3.91Å; C49-L138 HydrophobicContact CB-CD2 4.16Å; C133-L138 HydrophobicContact CB-CD1 4.16Å; R136-L138 HydrophobicContact CB-CD2 4.24Å; R136-L138 WeakPolarHBondContact O-CG 3.31Å; R136-L138 PolarHBondContact O-N 2.81Å; R136-L138 VanDerWaalsContact O-N 3.16Å; L138-Y140 PolarHBondContact O-N 3.17Å; L138-W141 WeakPolarHBondContact O-CB 3.09Å; L138-W141 PolarHBondContact O-N 3.02Å
139F93.9Very high96Very high156 Ų15688.1 Ų88.168%0.68444%0.443SS*.G310 helixtrans-56.1-25.8-174.168-93000114.7P137 W141 L142P137-F139 HydrophobicContact CB-CD1 4.05Å; P137-F139 HydrophobicContact CB-CE1 3.94Å; F139-W141 PolarHBondContact O-N 3.16Å; F139-L142 PolarHBondContact O-N 2.81Å
140Y95.7Very high95.8Very high116 Ų11692.2 Ų92.246%0.45547%0.465SS..G310 helixtrans-67.2-19.8178.764.6-98.4000112.9P137 L138 L142 T143P137-Y140 WeakPolarHBondContact O-CE1 3.22Å; L138-Y140 PolarHBondContact O-N 3.17Å; Y140-L142 PolarHBondContact O-N 2.99Å; Y140-L142 VanDerWaalsContact O-N 3.15Å; Y140-T143 WeakPolarHBondContact CA-OG1 3.42Å; Y140-T143 WeakPolarHBondContact O-CB 3.5Å; Y140-T143 PolarHBondContact O-N 3Å; Y140-T143 VanDerWaalsContact O-N 3.09Å; Y140-T143 PolarHBondContact O-OG1 3.26Å
141W98.1Very high95.7Very high23 Ų2392.3 Ų92.39%0.08747%0.471CS..G310 helixtrans-63.6-15.5175.7-75.6107.5000113.4R24 L48 C49 F52 F57 L138 F139R24-W141 VanDerWaalsContact CD-O 3.29Å; R24-W141 WeakPolarHBondContact CD-O 3.49Å; R24-W141 HydrophobicContact CG-CE3 4.2Å; R24-W141 VanDerWaalsContact NH1-C 3.26Å; R24-W141 PolarHBondContact NH1-O 2.86Å; L48-W141 HydrophobicContact CB-CB 4.06Å; L48-W141 HydrophobicContact CB-CD2 4.25Å; L48-W141 HydrophobicContact CB-CE3 4.13Å; L48-W141 HydrophobicContact CB-CG 4.23Å; L48-W141 HydrophobicContact CD1-CB 4.02Å; L48-W141 VanDerWaalsContact CD1-O 3.32Å; L48-W141 WeakPolarHBondContact CD1-O 3.18Å; C49-W141 HydrophobicContact CB-CZ2 4.47Å; F52-W141 HydrophobicContact CB-CH2 3.46Å; F52-W141 VanDerWaalsContact CB-CH2 3.46Å; F52-W141 HydrophobicContact CB-CZ2 4.09Å; F52-W141 HydrophobicContact CB-CZ3 3.92Å; F52-W141 AromaticContact CD1-CH2 3.43Å; F52-W141 HydrophobicContact CD1-CH2 3.43Å; F52-W141 VanDerWaalsContact CD1-CH2 3.43Å; F52-W141 AromaticContact CD1-CZ2 3.87Å; F52-W141 HydrophobicContact CD1-CZ2 3.87Å; F52-W141 AromaticContact CD2-CH2 3.85Å; F52-W141 HydrophobicContact CD2-CH2 3.85Å; F52-W141 HydrophobicContact CD2-CZ3 4.27Å; F52-W141 HydrophobicContact CE1-CH2 4.06Å; F52-W141 HydrophobicContact CE2-CH2 4.43Å; F52-W141 AromaticContact CG-CH2 3.28Å; F52-W141 HydrophobicContact CG-CH2 3.28Å; F52-W141 HydrophobicContact CG-CZ2 4.08Å; F52-W141 HydrophobicContact CG-CZ3 4Å; F57-W141 HydrophobicContact CE2-CZ3 4.03Å; F57-W141 HydrophobicContact CZ-CE3 4.21Å; F57-W141 AromaticContact CZ-CZ3 3.68Å; F57-W141 HydrophobicContact CZ-CZ3 3.68Å; L138-W141 WeakPolarHBondContact O-CB 3.09Å; L138-W141 PolarHBondContact O-N 3.02Å; F139-W141 PolarHBondContact O-N 3.16Å
142L97.8Very high95.5Very high49 Ų4992 Ų9226%0.25747%0.469SS..G310 helixtrans-107.2-4.1174.3-67.7176.1000113.6A28 L44 L48 F139 Y140 G144 C145 L147A28-L142 HydrophobicContact CB-CD2 3.93Å; L44-L142 HydrophobicContact CB-CD1 4.33Å; L44-L142 HydrophobicContact CB-CD2 4.28Å; L48-L142 HydrophobicContact CD1-CD2 3.74Å; L48-L142 HydrophobicContact CD1-CG 4.44Å; F139-L142 PolarHBondContact O-N 2.81Å; Y140-L142 PolarHBondContact O-N 2.99Å; Y140-L142 VanDerWaalsContact O-N 3.15Å; L142-G144 PolarHBondContact O-N 3Å; L142-C145 WeakPolarHBondContact O-CB 3.46Å; L142-C145 PolarHBondContact O-N 3.18Å; L142-L147 HydrophobicContact CD2-CD1 3.91Å
143T97.3Very high95.3Very high87 Ų8791.7 Ų91.753%0.53447%0.47SS..THydrogen-bonded Turntrans-58126.5-179.9-59.50000110.9R24 Y140 C145R24-T143 PolarHBondContact NH1-O 3.32Å; R24-T143 PolarHBondContact NH2-O 3.46Å; Y140-T143 WeakPolarHBondContact CA-OG1 3.42Å; Y140-T143 WeakPolarHBondContact O-CB 3.5Å; Y140-T143 PolarHBondContact O-N 3Å; Y140-T143 VanDerWaalsContact O-N 3.09Å; Y140-T143 PolarHBondContact O-OG1 3.26Å; T143-C145 VanDerWaalsContact C-N 3.26Å; T143-C145 PolarHBondContact O-N 3.27Å
144G97.5Very high95.1Very high71 Ų7197.8 Ų97.873%0.73250%0.502SS*.THydrogen-bonded Turntrans79.6-6.4-179.700000115.6L142L142-G144 PolarHBondContact O-N 3Å
145C97.7Very high94.9Very high22 Ų22101.1 Ų101.115%0.14951%0.512CS..  trans-77.5139173.1-59.10000110.5R24 C25 L142 T143R24-C145 PolarHBondContact NH1-SG 3.45Å; C25-C145 WeakPolarHBondContact CA-SG 3.21Å; C25-C145 HydrophobicContact CB-CB 3.78Å; C25-C145 WeakPolarHBondContact CB-SG 3.42Å; C25-C145 WeakPolarHBondContact SG-CA 3.23Å; C25-C145 WeakPolarHBondContact SG-CB 3.5Å; C25-C145 CovalentContact SG-SG 2.06Å; C25-C145 PolarHBondContact SG-SG 3.41Å; L142-C145 WeakPolarHBondContact O-CB 3.46Å; L142-C145 PolarHBondContact O-N 3.18Å; T143-C145 VanDerWaalsContact C-N 3.26Å; T143-C145 PolarHBondContact O-N 3.27Å
146R94.9Very high94.8Very high222 Ų222102.2 Ų102.284%0.83848%0.483SS*.  trans-105.782176.5-65.7-178.4-177.51740.1109.2
147L92Very high94.6Very high53 Ų5398.8 Ų98.828%0.27748%0.478SS..  trans-76.3133.7171.8-60.2-174.2000108.4A28 Q29 L44 L142A28-L147 HydrophobicContact CB-CD2 3.96Å; Q29-L147 HydrophobicContact CB-CD2 4.38Å; L44-L147 HydrophobicContact CD1-CD1 3.62Å; L142-L147 HydrophobicContact CD2-CD1 3.91Å
148R77Confident94.5Very high284 Ų28499.4 Ų99.4100%1.07247%0.467SS*.  trans-118.80-178.5-74.1-172.3-176.4159.91.4109.9

Retrieved 148 of 148 residues in 285.1 ms (Link to these results)

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