A0A077S6N9_BOVIN Loading...

Lysozyme B

AlphaFold DB (A0A6P3GWC6), UniProt , Accession A0A077S6N9, Species BOVIN (Bos taurus, Bovine), 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
1M43.5Very low58.1Low244 Ų244143.5 Ų143.5100%1.20285%0.847SS**  0106.30-67.9165.369.700106.9
2T50.6Low58.3Low143 Ų143141.5 Ų141.588%0.87784%0.844SS**PPolyproline II helixtrans-78.5119.8-174.343.30000110.1
3S48.8Very low58.6Low116 Ų116143.8 Ų143.881%0.81185%0.848SS**PPolyproline II helixtrans-80.4126.8176.9-142.30000109.8
4P56Low58.9Low110 Ų110142.1 Ų142.171%0.71484%0.839SS**PPolyproline II helixtrans-80127.9177.431.5-29.3000109.8L6P4-L6 PolarHBondContact O-N 3.31Å
5L57.4Low59.1Low170 Ų170138.1 Ų138.189%0.8983%0.829SS**  trans-73.6106.3168.7-88.7148.3000108.6I7L5-I7 PolarHBondContact O-N 3.28Å
6L58.3Low59.2Low168 Ų168135.9 Ų135.988%0.8882%0.816SS**  trans-74.7104.6170.3-75.7163.7000109P4 S8P4-L6 PolarHBondContact O-N 3.31Å; L6-S8 PolarHBondContact O-N 3.19Å
7I60.7Low59.3Low155 Ų155137.4 Ų137.480%0.79582%0.819SS**  trans-77.1103.7170.2-59.9171.8000107.1L5 L9L5-I7 PolarHBondContact O-N 3.28Å; I7-L9 PolarHBondContact O-N 3.1Å
8S64.6Low59.7Low111 Ų111136.7 Ų136.778%0.77681%0.805SS**  trans-74.7111.1173.7-172.70000109.6L6 A10L6-S8 PolarHBondContact O-N 3.19Å; S8-A10 PolarHBondContact O-N 3.05Å; S8-A10 VanDerWaalsContact O-N 3.1Å
9L63.3Low60.4Low158 Ų158133.3 Ų133.383%0.82779%0.794SS**  trans-72.793.2167.5-89.4121.7000108.8I7 S11I7-L9 PolarHBondContact O-N 3.1Å; L9-S11 PolarHBondContact O-N 3.34Å
10A67.7Low61.8Low94 Ų94128.9 Ų128.978%0.77777%0.771SS**  trans-69100.116900000109.3S8 C12S8-A10 PolarHBondContact O-N 3.05Å; S8-A10 VanDerWaalsContact O-N 3.1Å; A10-C12 PolarHBondContact O-N 3.3Å
11S68.6Low63.5Low110 Ų110127.8 Ų127.877%0.76976%0.76SS**  trans-74.2110.4168.2-70.40000108.9L9 L13L9-S11 PolarHBondContact O-N 3.34Å; S11-L13 PolarHBondContact O-N 2.66Å; S11-L13 VanDerWaalsContact O-N 3.15Å
12C59.8Low66.1Low119 Ų119117.5 Ų117.580%0.80471%0.71SS**  trans-69.8104.2168.7-88.90000109.2A10 V14A10-C12 PolarHBondContact O-N 3.3Å; C12-V14 PolarHBondContact O-N 2.92Å
13L61.9Low68.3Low171 Ų171112.3 Ų112.390%0.89569%0.685SS**  trans-67.899.3161.2-78.6158.7000107.6S11 A15S11-L13 PolarHBondContact O-N 2.66Å; S11-L13 VanDerWaalsContact O-N 3.15Å; L13-A15 PolarHBondContact O-N 3.38Å; L13-A15 VanDerWaalsContact O-N 3.09Å
14V63.8Low70.7Confident120 Ų120110.3 Ų110.373%0.72766%0.66SS**  trans-73.1100.1169.3-1800000107.1C12 V16C12-V14 PolarHBondContact O-N 2.92Å; V14-V16 HydrophobicContact CG1-CG2 4.41Å; V14-V16 PolarHBondContact O-N 3.29Å; V14-V16 VanDerWaalsContact O-N 3.12Å
15A61.3Low72.7Confident83 Ų83106.5 Ų106.569%0.68664%0.636SS**  trans-70.7102.3167.600000108.2L13 N17L13-A15 PolarHBondContact O-N 3.38Å; L13-A15 VanDerWaalsContact O-N 3.09Å; A15-N17 PolarHBondContact O-N 2.75Å; A15-N17 VanDerWaalsContact O-N 3.11Å
16V61.3Low74.6Confident103 Ų103102.7 Ų102.762%0.62462%0.616SS**  trans-71.3103.2170.3-175.50000107V14 Q18V14-V16 HydrophobicContact CG1-CG2 4.41Å; V14-V16 PolarHBondContact O-N 3.29Å; V14-V16 VanDerWaalsContact O-N 3.12Å; V16-Q18 VanDerWaalsContact C-N 3.31Å; V16-Q18 HydrophobicContact CB-CG 4.47Å; V16-Q18 HydrophobicContact CG1-CG 3.79Å; V16-Q18 PolarHBondContact O-N 2.99Å
17N61.2Low76.5Confident161 Ų16194.7 Ų94.786%0.86157%0.574SS**  trans-69.393.4166.8-78.7-65.2000107.6A15A15-N17 PolarHBondContact O-N 2.75Å; A15-N17 VanDerWaalsContact O-N 3.11Å
18Q65.3Low78.4Confident124 Ų12487.3 Ų87.358%0.57954%0.536SS*.  trans-75.2130.8174.8-65.8-177.714.800109.1V16 S20 P104V16-Q18 VanDerWaalsContact C-N 3.31Å; V16-Q18 HydrophobicContact CB-CG 4.47Å; V16-Q18 HydrophobicContact CG1-CG 3.79Å; V16-Q18 PolarHBondContact O-N 2.99Å; Q18-S20 PolarHBondContact O-N 3.02Å; Q18-P104 VanDerWaalsContact OE1-CG 3.29Å
19A73.3Confident80Confident72 Ų7285.6 Ų85.660%0.59552%0.515SS*.  trans-70.4126.7175.500000109.6
20S89.7Confident81.6Confident46 Ų4680 Ų8032%0.32249%0.487SS..SBendtrans-81.7-20.4176.654.70000113.1Q18 N58 I59 T60Q18-S20 PolarHBondContact O-N 3.02Å; S20-N58 CarbonylContact O-C 3.57Å; S20-N58 WeakPolarHBondContact O-CA 3.34Å; S20-N58 PolarHBondContact O-OD1 2.97Å; S20-I59 PolarHBondContact O-N 3.28Å; S20-T60 VanDerWaalsContact CB-OG1 3.3Å; S20-T60 WeakPolarHBondContact CB-OG1 3.35Å
21L96.8Very high83.1Confident105 Ų10575.6 Ų75.655%0.5545%0.45SS..BIsolated β-bridgetrans-104.7130.9179.9-62.9175.2000110.2N58L21-N58 HydrophobicContact CD2-CB 3.76Å
22I97.4Very high84.5Confident28 Ų2873.9 Ų73.914%0.14443%0.43CS..  trans-100.2139.6170.4-171166000110.8D26 L27 F57 I59 I74 L106I22-D26 HydrophobicContact CD1-CB 4.43Å; I22-D26 HydrophobicContact CG1-CB 4.04Å; I22-L27 HydrophobicContact CD1-CB 3.94Å; I22-L27 HydrophobicContact CD1-CD1 4.23Å; I22-L27 HydrophobicContact CG1-CB 4.11Å; I22-L27 HydrophobicContact CG2-CB 4.05Å; I22-L27 HydrophobicContact CG2-CD1 4.4Å; I22-L27 HydrophobicContact CG2-CD2 4.3Å; I22-L27 HydrophobicContact CG2-CG 4.48Å; I22-F57 HydrophobicContact CG2-CB 4.11Å; I22-F57 PolarHBondContact N-O 3.32Å; I22-F57 VanDerWaalsContact N-O 3.15Å; I22-F57 WeakPolarHBondContact O-CB 3.33Å; I22-I59 HydrophobicContact CB-CD1 3.81Å; I22-I59 HydrophobicContact CB-CG1 4.22Å; I22-I59 HydrophobicContact CG2-CD1 4.23Å; I22-I59 HydrophobicContact CG2-CG1 4.09Å; I22-I74 HydrophobicContact CG2-CD1 3.52Å; I22-L106 HydrophobicContact CD1-CD1 3.91Å
23G97.8Very high86.4Confident35 Ų3574.6 Ų74.636%0.36142%0.422SS..  trans-67.1141.8173.400000111.4C25 D26 L27G23-C25 VanDerWaalsContact C-N 3.32Å; G23-C25 PolarHBondContact O-N 3.17Å; G23-D26 PolarHBondContact O-N 3.07Å; G23-L27 PolarHBondContact O-N 2.99Å
24R98.1Very high88.1Confident73 Ų7369.1 Ų69.128%0.27539%0.391SS..Hα-helixtrans-48.7-48179.6175.9-177.358.895.5-0.9113.5A28 L48 F57 W141 T143 C145R24-A28 WeakPolarHBondContact O-CB 3.46Å; R24-A28 PolarHBondContact O-N 3.43Å; R24-L48 HydrophobicContact CG-CD1 4.46Å; R24-L48 HydrophobicContact CG-CD2 4.37Å; R24-L48 WeakPolarHBondContact O-CD2 3.48Å; R24-F57 HydrophobicContact CB-CE2 4.21Å; R24-F57 HydrophobicContact CB-CZ 4.28Å; R24-F57 HydrophobicContact CG-CZ 4.31Å; R24-W141 WeakPolarHBondContact CD-O 3.42Å; R24-W141 HydrophobicContact CG-CE3 4.18Å; R24-W141 PolarHBondContact NH1-O 3.33Å; R24-T143 PolarHBondContact NH1-O 3.16Å; R24-T143 PolarHBondContact NH2-O 3.34Å; R24-C145 PolarHBondContact NH1-SG 3.09Å
25C98.5Very high89.8Confident31 Ų3169.2 Ų69.221%0.20939%0.388CS..Hα-helixtrans-76-27.8-178.6-62.70000113G23 A28 K29 C145G23-C25 VanDerWaalsContact C-N 3.32Å; G23-C25 PolarHBondContact O-N 3.17Å; C25-A28 PolarHBondContact O-N 2.75Å; C25-K29 WeakPolarHBondContact O-CG 3.39Å; C25-K29 PolarHBondContact O-N 3.02Å; C25-C145 WeakPolarHBondContact CA-SG 3.41Å; C25-C145 HydrophobicContact CB-CB 3.75Å; C25-C145 WeakPolarHBondContact CB-SG 3.39Å; C25-C145 WeakPolarHBondContact SG-CA 3.39Å; C25-C145 WeakPolarHBondContact SG-CB 3.48Å; C25-C145 CovalentContact SG-SG 2.05Å; C25-C145 PolarHBondContact SG-SG 3.26Å
26D98.1Very high91.5Very high90 Ų9065.3 Ų65.348%0.48136%0.355SS..Hα-helixtrans-69.7-42.1173.8-59.1-41.6000110I22 G23 A28 K29 V30I22-D26 HydrophobicContact CD1-CB 4.43Å; I22-D26 HydrophobicContact CG1-CB 4.04Å; G23-D26 PolarHBondContact O-N 3.07Å; D26-A28 VanDerWaalsContact C-N 3.35Å; D26-A28 PolarHBondContact O-N 3.2Å; D26-K29 WeakPolarHBondContact O-CB 3.5Å; D26-K29 PolarHBondContact O-N 3.24Å; D26-V30 WeakPolarHBondContact O-CG2 3.5Å; D26-V30 PolarHBondContact O-N 3.02Å
27L98.4Very high93.3Very high0 Ų064.6 Ų64.60%035%0.348CS..Hα-helixtrans-59.8-45.6170.5-178.660.8000111I22 G23 K29 V30 L31 L48 A51 F57 I74 L106I22-L27 HydrophobicContact CD1-CB 3.94Å; I22-L27 HydrophobicContact CD1-CD1 4.23Å; I22-L27 HydrophobicContact CG1-CB 4.11Å; I22-L27 HydrophobicContact CG2-CB 4.05Å; I22-L27 HydrophobicContact CG2-CD1 4.4Å; I22-L27 HydrophobicContact CG2-CD2 4.3Å; I22-L27 HydrophobicContact CG2-CG 4.48Å; G23-L27 PolarHBondContact O-N 2.99Å; L27-K29 VanDerWaalsContact C-N 3.27Å; L27-K29 PolarHBondContact O-N 3.22Å; L27-V30 PolarHBondContact O-N 2.85Å; L27-V30 VanDerWaalsContact O-N 3.17Å; L27-L31 HydrophobicContact CD1-CD1 3.97Å; L27-L31 HydrophobicContact CD1-CD2 4.11Å; L27-L31 HydrophobicContact CD1-CG 3.84Å; L27-L31 HydrophobicContact CD2-CD1 4.36Å; L27-L31 HydrophobicContact CG-CD1 3.73Å; L27-L31 HydrophobicContact CG-CG 4.07Å; L27-L31 WeakPolarHBondContact O-CB 3.39Å; L27-L31 WeakPolarHBondContact O-CG 3.35Å; L27-L31 PolarHBondContact O-N 3.16Å; L27-L48 HydrophobicContact CB-CD2 4.07Å; L27-L48 HydrophobicContact CD2-CD2 3.81Å; L27-L48 HydrophobicContact CG-CD2 3.86Å; L27-A51 HydrophobicContact CD2-CB 3.66Å; L27-F57 HydrophobicContact CD2-CD1 3.62Å; L27-F57 HydrophobicContact CD2-CE1 3.84Å; L27-I74 HydrophobicContact CD1-CD1 3.95Å; L27-I74 HydrophobicContact CD2-CD1 3.65Å; L27-I74 HydrophobicContact CG-CD1 4.44Å; L27-L106 HydrophobicContact CD1-CD1 3.59Å
28A98.7Very high95.1Very high0 Ų059.1 Ų59.10%033%0.33CS..Hα-helixtrans-56.3-41.7177.500000112.4R24 C25 D26 H32 L48 M142 L147R24-A28 WeakPolarHBondContact O-CB 3.46Å; R24-A28 PolarHBondContact O-N 3.43Å; C25-A28 PolarHBondContact O-N 2.75Å; D26-A28 VanDerWaalsContact C-N 3.35Å; D26-A28 PolarHBondContact O-N 3.2Å; A28-H32 VanDerWaalsContact O-CB 3.3Å; A28-H32 WeakPolarHBondContact O-CB 3.36Å; A28-H32 PolarHBondContact O-N 2.99Å; A28-L48 HydrophobicContact CB-CD1 3.93Å; A28-L48 HydrophobicContact CB-CD2 4.2Å; A28-M142 HydrophobicContact CB-SD 3.87Å; A28-L147 HydrophobicContact CB-CD2 4.14Å
29K98.5Very high96.6Very high75 Ų7555.5 Ų55.533%0.32631%0.312SS..Hα-helixtrans-63.2-48.6175.4-74172.6177-177.70111.9C25 D26 L27 L31 H32 Q33 H146 L147C25-K29 WeakPolarHBondContact O-CG 3.39Å; C25-K29 PolarHBondContact O-N 3.02Å; D26-K29 WeakPolarHBondContact O-CB 3.5Å; D26-K29 PolarHBondContact O-N 3.24Å; L27-K29 VanDerWaalsContact C-N 3.27Å; L27-K29 PolarHBondContact O-N 3.22Å; K29-L31 PolarHBondContact O-N 3.31Å; K29-H32 PolarHBondContact O-N 3.4Å; K29-Q33 WeakPolarHBondContact O-CB 3.39Å; K29-Q33 VanDerWaalsContact O-CG 3.26Å; K29-Q33 WeakPolarHBondContact O-CG 3.48Å; K29-Q33 PolarHBondContact O-N 3.09Å; K29-H146 WeakPolarHBondContact CE-O 3.46Å; K29-L147 HydrophobicContact CG-CD2 4.22Å
30V98.3Very high97.8Very high41 Ų4157.3 Ų57.325%0.24831%0.309CS..Hα-helixtrans-59.8-48.7178.3173.90000110.3D26 L27 H32 Q33 E34 L106 I110D26-V30 WeakPolarHBondContact O-CG2 3.5Å; D26-V30 PolarHBondContact O-N 3.02Å; L27-V30 PolarHBondContact O-N 2.85Å; L27-V30 VanDerWaalsContact O-N 3.17Å; V30-H32 VanDerWaalsContact C-N 3.28Å; V30-H32 PolarHBondContact O-N 3.26Å; V30-Q33 PolarHBondContact O-N 2.87Å; V30-E34 HydrophobicContact CG1-CG 4.41Å; V30-E34 WeakPolarHBondContact O-CB 3.47Å; V30-E34 WeakPolarHBondContact O-CG 3.48Å; V30-E34 PolarHBondContact O-N 3.43Å; V30-L106 HydrophobicContact CG1-CB 4.29Å; V30-L106 HydrophobicContact CG1-CD1 4.2Å; V30-I110 HydrophobicContact CG1-CD1 3.86Å
31L98.6Very high98.2Very high0 Ų058.5 Ų58.50%033%0.328CS..Hα-helixtrans-62.9-35.1179.5-62.9175000112.4L27 K29 E34 D35 L36 L44 W47 L48 F75 I110L27-L31 HydrophobicContact CD1-CD1 3.97Å; L27-L31 HydrophobicContact CD1-CD2 4.11Å; L27-L31 HydrophobicContact CD1-CG 3.84Å; L27-L31 HydrophobicContact CD2-CD1 4.36Å; L27-L31 HydrophobicContact CG-CD1 3.73Å; L27-L31 HydrophobicContact CG-CG 4.07Å; L27-L31 WeakPolarHBondContact O-CB 3.39Å; L27-L31 WeakPolarHBondContact O-CG 3.35Å; L27-L31 PolarHBondContact O-N 3.16Å; K29-L31 PolarHBondContact O-N 3.31Å; L31-E34 CarbonylContact O-C 3.58Å; L31-E34 PolarHBondContact O-N 3.11Å; L31-D35 PolarHBondContact O-N 3.45Å; L31-L36 HydrophobicContact CB-CB 4.27Å; L31-L36 HydrophobicContact CD2-CD1 3.75Å; L31-L36 HydrophobicContact CD2-CG 4.4Å; L31-L36 WeakPolarHBondContact O-CB 3.2Å; L31-L36 PolarHBondContact O-N 2.03Å; L31-L44 HydrophobicContact CB-CD2 3.61Å; L31-W47 HydrophobicContact CD1-CB 3.68Å; L31-L48 HydrophobicContact CD1-CD2 4.25Å; L31-F75 HydrophobicContact CD2-CZ 3.9Å; L31-I110 HydrophobicContact CD2-CD1 3.91Å; L31-I110 HydrophobicContact CD2-CG1 4.02Å
32H98.6Very high98.3Very high74 Ų7455.4 Ų55.434%0.34331%0.309SS..Hα-helixtrans-67.7-44.7174-17463.2000112.1A28 K29 V30 E34 D35 L44 L147A28-H32 VanDerWaalsContact O-CB 3.3Å; A28-H32 WeakPolarHBondContact O-CB 3.36Å; A28-H32 PolarHBondContact O-N 2.99Å; K29-H32 PolarHBondContact O-N 3.4Å; V30-H32 VanDerWaalsContact C-N 3.28Å; V30-H32 PolarHBondContact O-N 3.26Å; H32-E34 PolarHBondContact O-N 3.04Å; H32-D35 PolarHBondContact O-N 2.82Å; H32-D35 VanDerWaalsContact O-N 3.12Å; H32-L44 HydrophobicContact CB-CD1 3.88Å; H32-L44 HydrophobicContact CB-CD2 4.35Å; H32-L147 HydrophobicContact CB-CD1 4.29Å; H32-L147 HydrophobicContact CB-CD2 4.18Å
33Q98.4Very high98.3Very high135 Ų13555.8 Ų55.863%0.63131%0.314SS*.Hα-helixtrans-62.1-30176.6-73.5170.6-16.700112.4K29 V30 D35K29-Q33 WeakPolarHBondContact O-CB 3.39Å; K29-Q33 VanDerWaalsContact O-CG 3.26Å; K29-Q33 WeakPolarHBondContact O-CG 3.48Å; K29-Q33 PolarHBondContact O-N 3.09Å; V30-Q33 PolarHBondContact O-N 2.87Å; Q33-D35 VanDerWaalsContact C-N 3.31Å
34E98.5Very high98.4Very high55 Ų5554.3 Ų54.326%0.25730%0.298SS..THydrogen-bonded Turntrans-9323.3176.5-60.6-54.7140.700113.3V30 L31 H32 L36 L107 I110 K114V30-E34 HydrophobicContact CG1-CG 4.41Å; V30-E34 WeakPolarHBondContact O-CB 3.47Å; V30-E34 WeakPolarHBondContact O-CG 3.48Å; V30-E34 PolarHBondContact O-N 3.43Å; L31-E34 CarbonylContact O-C 3.58Å; L31-E34 PolarHBondContact O-N 3.11Å; H32-E34 PolarHBondContact O-N 3.04Å; E34-L36 VanDerWaalsContact C-N 3.31Å; E34-L36 PolarHBondContact O-N 3.18Å; E34-L107 HydrophobicContact CG-CD2 4.06Å; E34-L107 VanDerWaalsContact OE1-CD2 3.3Å; E34-L107 WeakPolarHBondContact OE1-CD2 3.47Å; E34-L107 WeakPolarHBondContact OE2-CD2 3.46Å; E34-I110 HydrophobicContact CB-CD1 4.16Å; E34-I110 HydrophobicContact CB-CG2 3.96Å; E34-I110 HydrophobicContact CG-CD1 3.88Å; E34-K114 WeakPolarHBondContact O-CE 3.5Å; E34-K114 PolarHBondContact O-NZ 2.04Å
35D98.1Very high98.4Very high123 Ų12352 Ų5266%0.65829%0.292SS*.THydrogen-bonded Turntrans56.135.6173.2-60.4-49.6000114.7L31 H32 Q33L31-D35 PolarHBondContact O-N 3.45Å; H32-D35 PolarHBondContact O-N 2.82Å; H32-D35 VanDerWaalsContact O-N 3.12Å; Q33-D35 VanDerWaalsContact C-N 3.31Å
36L98.6Very high98.4Very high0 Ų051.8 Ų51.80%029%0.289CS..  trans-87.3-12.6175.8-68.4-148.6000114.6L31 E34 G38 F39 L44 W47 I110 K114L31-L36 HydrophobicContact CB-CB 4.27Å; L31-L36 HydrophobicContact CD2-CD1 3.75Å; L31-L36 HydrophobicContact CD2-CG 4.4Å; L31-L36 WeakPolarHBondContact O-CB 3.2Å; L31-L36 PolarHBondContact O-N 2.03Å; E34-L36 VanDerWaalsContact C-N 3.31Å; E34-L36 PolarHBondContact O-N 3.18Å; L36-G38 PolarHBondContact O-N 3.14Å; L36-G38 VanDerWaalsContact O-N 3.09Å; L36-F39 HydrophobicContact CD2-CB 4.25Å; L36-F39 HydrophobicContact CD2-CG 4.28Å; L36-F39 PolarHBondContact O-N 3.13Å; L36-L44 HydrophobicContact CB-CD2 4.41Å; L36-W47 HydrophobicContact CB-CD2 4.48Å; L36-W47 HydrophobicContact CB-CG 4.36Å; L36-W47 HydrophobicContact CD1-CD2 3.44Å; L36-W47 VanDerWaalsContact CD1-CD2 3.44Å; L36-W47 VanDerWaalsContact CD1-CE2 3.5Å; L36-W47 HydrophobicContact CD1-CE3 3.68Å; L36-W47 HydrophobicContact CD1-CG 3.94Å; L36-W47 HydrophobicContact CD1-CH2 3.97Å; L36-W47 HydrophobicContact CD1-CZ2 3.78Å; L36-W47 HydrophobicContact CD1-CZ3 3.95Å; L36-W47 HydrophobicContact CD2-CZ2 4.34Å; L36-W47 PolarHBondContact O-NE1 3.32Å; L36-W47 VanDerWaalsContact O-NE1 3.14Å; L36-I110 HydrophobicContact CD1-CG2 4.22Å; L36-I110 HydrophobicContact CD2-CG2 4.15Å; L36-I110 HydrophobicContact CG-CG2 4.22Å; L36-K114 HydrophobicContact CD2-CD 3.99Å; L36-K114 HydrophobicContact CD2-CG 3.63Å
37D98.2Very high98.5Very high88 Ų8847.5 Ų47.547%0.47127%0.266SS..THydrogen-bonded Turntrans-72106.2177.7-160.616.8000111L44D37-L44 HydrophobicContact CB-CD1 3.98Å; D37-L44 HydrophobicContact CB-CD2 4.05Å; D37-L44 HydrophobicContact CB-CG 3.61Å; D37-L44 PolarHBondContact OD1-N 3.28Å
38G98.3Very high98.5Very high46 Ų4647.5 Ų47.547%0.47427%0.266SS..THydrogen-bonded Turntrans86.62.8-175.800000114.3L36 E40 G41 Y42L36-G38 PolarHBondContact O-N 3.14Å; L36-G38 VanDerWaalsContact O-N 3.09Å; G38-E40 PolarHBondContact O-N 3.07Å; G38-G41 PolarHBondContact O-N 3.21Å; G38-Y42 CarbonylContact C-O 3.5Å; G38-Y42 WeakPolarHBondContact CA-O 3.48Å; G38-Y42 PolarHBondContact N-O 2.92Å
39F98.6Very high98.5Very high48 Ų4847.5 Ų47.521%0.21127%0.266CS..BIsolated β-bridgetrans-59.7121.3177.7-175.1-93.2000110.4L36 G41 Y42 W47 K114 V117 S118L36-F39 HydrophobicContact CD2-CB 4.25Å; L36-F39 HydrophobicContact CD2-CG 4.28Å; L36-F39 PolarHBondContact O-N 3.13Å; F39-G41 PolarHBondContact O-N 3.45Å; F39-G41 VanDerWaalsContact O-N 3.07Å; F39-Y42 PolarHBondContact N-O 3.23Å; F39-Y42 PolarHBondContact O-N 3.3Å; F39-W47 HydrophobicContact CD1-CZ2 4.19Å; F39-K114 HydrophobicContact CD1-CG 4.27Å; F39-K114 HydrophobicContact CD2-CG 4.48Å; F39-K114 HydrophobicContact CE1-CB 3.85Å; F39-K114 HydrophobicContact CE1-CG 3.86Å; F39-K114 HydrophobicContact CE2-CB 4.44Å; F39-K114 HydrophobicContact CE2-CD 4.14Å; F39-K114 HydrophobicContact CE2-CG 4.1Å; F39-K114 HydrophobicContact CZ-CB 3.71Å; F39-K114 HydrophobicContact CZ-CD 4.24Å; F39-K114 HydrophobicContact CZ-CG 3.78Å; F39-V117 HydrophobicContact CD1-CG1 4.27Å; F39-V117 HydrophobicContact CE1-CB 4.37Å; F39-V117 HydrophobicContact CE1-CG1 4.33Å; F39-S118 WeakPolarHBondContact CZ-OG 3.09Å
40E98.2Very high98.5Very high111 Ų11144 Ų4452%0.51925%0.251SS..THydrogen-bonded Turntrans52.127.4-174.4-59.2-72-176.600113.6G38 Y42 V117 S118G38-E40 PolarHBondContact O-N 3.07Å; E40-Y42 HydrophobicContact CB-CD2 4.16Å; E40-Y42 HydrophobicContact CB-CE2 4.28Å; E40-Y42 WeakPolarHBondContact O-CD2 3.42Å; E40-Y42 WeakPolarHBondContact O-CE2 3.24Å; E40-V117 HydrophobicContact CB-CG1 3.73Å; E40-V117 HydrophobicContact CG-CG1 4.02Å; E40-S118 WeakPolarHBondContact OE1-CB 3.16Å; E40-S118 PolarHBondContact OE1-OG 3.17Å
41G97.8Very high98.5Very high70 Ų7042 Ų4272%0.72224%0.239SC*.THydrogen-bonded Turntrans83.87.7-179.600000115.6G38 F39G38-G41 PolarHBondContact O-N 3.21Å; F39-G41 PolarHBondContact O-N 3.45Å; F39-G41 VanDerWaalsContact O-N 3.07Å
42Y98.6Very high98.5Very high40 Ų4046.1 Ų46.116%0.15726%0.257CS..BIsolated β-bridgetrans-99.4131.5177.2-60.2-79.9000111.2G38 F39 E40 D46 V117 M123 W129G38-Y42 CarbonylContact C-O 3.5Å; G38-Y42 WeakPolarHBondContact CA-O 3.48Å; G38-Y42 PolarHBondContact N-O 2.92Å; F39-Y42 PolarHBondContact N-O 3.23Å; F39-Y42 PolarHBondContact O-N 3.3Å; E40-Y42 HydrophobicContact CB-CD2 4.16Å; E40-Y42 HydrophobicContact CB-CE2 4.28Å; E40-Y42 WeakPolarHBondContact O-CD2 3.42Å; E40-Y42 WeakPolarHBondContact O-CE2 3.24Å; Y42-D46 HydrophobicContact CD1-CB 4.39Å; Y42-V117 HydrophobicContact CD2-CG1 3.62Å; Y42-V117 HydrophobicContact CE2-CG1 3.61Å; Y42-M123 HydrophobicContact CD1-CB 3.93Å; Y42-M123 HydrophobicContact CD1-SD 3.75Å; Y42-M123 HydrophobicContact CD2-CB 4.45Å; Y42-M123 HydrophobicContact CE1-CB 3.5Å; Y42-M123 HydrophobicContact CE1-SD 4.25Å; Y42-M123 HydrophobicContact CE2-CB 4.1Å; Y42-M123 HydrophobicContact CG-CB 4.38Å; Y42-M123 HydrophobicContact CG-SD 4.07Å; Y42-M123 PolarHBondContact OH-N 3.37Å; Y42-W129 HydrophobicContact CD1-CH2 4.22Å; Y42-W129 HydrophobicContact CD1-CZ2 4.03Å; Y42-W129 AromaticContact CE1-CH2 3.66Å; Y42-W129 HydrophobicContact CE1-CH2 3.66Å; Y42-W129 AromaticContact CE1-CZ2 3.95Å; Y42-W129 HydrophobicContact CE1-CZ2 3.95Å; Y42-W129 HydrophobicContact CE1-CZ3 4.45Å
43S98.4Very high98.5Very high37 Ų3744.1 Ų44.126%0.25925%0.25SC..  trans-80164.9179.8700000111.7T45 D46 W47S43-T45 PolarHBondContact O-N 3.35Å; S43-T45 VanDerWaalsContact O-N 3.09Å; S43-T45 PolarHBondContact OG-N 3.03Å; S43-T45 PolarHBondContact OG-OG1 2.91Å; S43-D46 WeakPolarHBondContact CB-OD2 3.31Å; S43-D46 PolarHBondContact N-OD2 2.68Å; S43-D46 WeakPolarHBondContact O-CB 3.36Å; S43-D46 PolarHBondContact O-N 2.89Å; S43-D46 PolarHBondContact OG-N 3.38Å; S43-D46 PolarHBondContact OG-OD2 3.15Å; S43-W47 PolarHBondContact O-N 2.98Å
44L98.4Very high98.6Very high4 Ų438.3 Ų38.32%0.02122%0.222CC..Hα-helixtrans-52.3-32.8168.7-69.1174.5000113.1L31 H32 L36 D37 D46 W47 L48 M142 L147L31-L44 HydrophobicContact CB-CD2 3.61Å; H32-L44 HydrophobicContact CB-CD1 3.88Å; H32-L44 HydrophobicContact CB-CD2 4.35Å; L36-L44 HydrophobicContact CB-CD2 4.41Å; D37-L44 HydrophobicContact CB-CD1 3.98Å; D37-L44 HydrophobicContact CB-CD2 4.05Å; D37-L44 HydrophobicContact CB-CG 3.61Å; D37-L44 PolarHBondContact OD1-N 3.28Å; L44-D46 VanDerWaalsContact C-N 3.28Å; L44-D46 PolarHBondContact O-N 2.98Å; L44-W47 PolarHBondContact O-N 2.78Å; L44-L48 WeakPolarHBondContact O-CB 3.45Å; L44-L48 VanDerWaalsContact O-CG 3.27Å; L44-L48 WeakPolarHBondContact O-CG 3.48Å; L44-L48 PolarHBondContact O-N 3.44Å; L44-M142 HydrophobicContact CB-SD 4.49Å; L44-L147 HydrophobicContact CD1-CD1 3.79Å; L44-L147 HydrophobicContact CD1-CD2 4.44Å
45T98.6Very high98.6Very high23 Ų2335.8 Ų35.814%0.14121%0.211CC..Hα-helixtrans-68.7-28.518067.60000112.9S43 C49 L138 W141 M142S43-T45 PolarHBondContact O-N 3.35Å; S43-T45 VanDerWaalsContact O-N 3.09Å; S43-T45 PolarHBondContact OG-N 3.03Å; S43-T45 PolarHBondContact OG-OG1 2.91Å; T45-C49 VanDerWaalsContact O-CB 3.31Å; T45-C49 WeakPolarHBondContact O-CB 3.39Å; T45-C49 PolarHBondContact O-N 3.27Å; T45-L138 WeakPolarHBondContact CB-O 3.09Å; T45-L138 WeakPolarHBondContact CG2-O 3.03Å; T45-L138 WeakPolarHBondContact OG1-CB 3.31Å; T45-W141 HydrophobicContact CG2-CB 4.15Å; T45-M142 HydrophobicContact CG2-CB 4.32Å; T45-M142 HydrophobicContact CG2-CG 3.61Å
46D98.8Very high98.6Very high27 Ų2734.6 Ų34.614%0.14421%0.205CC..Hα-helixtrans-68.3-44.5173-65.4-75.8000110.7Y42 S43 L44 C49 L50 M123 W129 L138Y42-D46 HydrophobicContact CD1-CB 4.39Å; S43-D46 WeakPolarHBondContact CB-OD2 3.31Å; S43-D46 PolarHBondContact N-OD2 2.68Å; S43-D46 WeakPolarHBondContact O-CB 3.36Å; S43-D46 PolarHBondContact O-N 2.89Å; S43-D46 PolarHBondContact OG-N 3.38Å; S43-D46 PolarHBondContact OG-OD2 3.15Å; L44-D46 VanDerWaalsContact C-N 3.28Å; L44-D46 PolarHBondContact O-N 2.98Å; D46-C49 PolarHBondContact O-N 3.36Å; D46-L50 WeakPolarHBondContact O-CB 3.04Å; D46-L50 PolarHBondContact O-N 3.41Å; D46-M123 HydrophobicContact CB-CE 4.31Å; D46-M123 HydrophobicContact CB-SD 3.83Å; D46-W129 HydrophobicContact CB-CZ2 4.33Å; D46-W129 PolarHBondContact O-NE1 2.82Å; D46-W129 WeakPolarHBondContact OD1-CZ2 2.99Å; D46-L138 WeakPolarHBondContact OD1-CD1 3.49Å
47W98.9Very high98.6Very high0 Ų035.7 Ų35.70%021%0.209CC..Hα-helixtrans-65.7-41.3177.8-65.5106.1000113L31 L36 F39 S43 L44 L50 A51 F75 A113 V117 M123L31-W47 HydrophobicContact CD1-CB 3.68Å; L36-W47 HydrophobicContact CB-CD2 4.48Å; L36-W47 HydrophobicContact CB-CG 4.36Å; L36-W47 HydrophobicContact CD1-CD2 3.44Å; L36-W47 VanDerWaalsContact CD1-CD2 3.44Å; L36-W47 VanDerWaalsContact CD1-CE2 3.5Å; L36-W47 HydrophobicContact CD1-CE3 3.68Å; L36-W47 HydrophobicContact CD1-CG 3.94Å; L36-W47 HydrophobicContact CD1-CH2 3.97Å; L36-W47 HydrophobicContact CD1-CZ2 3.78Å; L36-W47 HydrophobicContact CD1-CZ3 3.95Å; L36-W47 HydrophobicContact CD2-CZ2 4.34Å; L36-W47 PolarHBondContact O-NE1 3.32Å; L36-W47 VanDerWaalsContact O-NE1 3.14Å; F39-W47 HydrophobicContact CD1-CZ2 4.19Å; S43-W47 PolarHBondContact O-N 2.98Å; L44-W47 PolarHBondContact O-N 2.78Å; W47-L50 HydrophobicContact CE3-CD2 4.16Å; W47-L50 HydrophobicContact CZ3-CD2 4.29Å; W47-L50 WeakPolarHBondContact O-CB 3.36Å; W47-L50 PolarHBondContact O-N 3.35Å; W47-A51 PolarHBondContact O-N 3.14Å; W47-F75 HydrophobicContact CE3-CE1 4.34Å; W47-F75 HydrophobicContact CE3-CZ 4.18Å; W47-A113 HydrophobicContact CH2-CB 4.35Å; W47-A113 HydrophobicContact CZ3-CB 3.93Å; W47-V117 HydrophobicContact CH2-CB 4.13Å; W47-V117 HydrophobicContact CH2-CG2 3.48Å; W47-V117 VanDerWaalsContact CH2-CG2 3.48Å; W47-V117 HydrophobicContact CZ2-CG1 4.44Å; W47-V117 HydrophobicContact CZ2-CG2 4.14Å; W47-V117 HydrophobicContact CZ3-CG2 4.21Å; W47-M123 HydrophobicContact CB-CE 4.38Å; W47-M123 HydrophobicContact CD2-CE 3.33Å; W47-M123 HydrophobicContact CE3-CE 3.26Å; W47-M123 HydrophobicContact CG-CE 3.87Å; W47-M123 HydrophobicContact CH2-CE 4.16Å; W47-M123 HydrophobicContact CZ2-CE 4.2Å; W47-M123 HydrophobicContact CZ3-CE 3.69Å
48L98.9Very high98.6Very high0 Ų033.4 Ų33.40%020%0.197CC..Hα-helixtrans-64.3-41.6174.6-70.1172.1000111.3R24 L27 A28 L31 L44 A51 F52 F57 W141 M142R24-L48 HydrophobicContact CG-CD1 4.46Å; R24-L48 HydrophobicContact CG-CD2 4.37Å; R24-L48 WeakPolarHBondContact O-CD2 3.48Å; L27-L48 HydrophobicContact CB-CD2 4.07Å; L27-L48 HydrophobicContact CD2-CD2 3.81Å; L27-L48 HydrophobicContact CG-CD2 3.86Å; A28-L48 HydrophobicContact CB-CD1 3.93Å; A28-L48 HydrophobicContact CB-CD2 4.2Å; L31-L48 HydrophobicContact CD1-CD2 4.25Å; L44-L48 WeakPolarHBondContact O-CB 3.45Å; L44-L48 VanDerWaalsContact O-CG 3.27Å; L44-L48 WeakPolarHBondContact O-CG 3.48Å; L44-L48 PolarHBondContact O-N 3.44Å; L48-A51 PolarHBondContact O-N 3.09Å; L48-F52 PolarHBondContact O-N 3.41Å; L48-F52 VanDerWaalsContact O-N 3.07Å; L48-F57 WeakPolarHBondContact O-CE1 3.41Å; L48-W141 HydrophobicContact CB-CB 4.03Å; L48-W141 HydrophobicContact CB-CD2 4.24Å; L48-W141 HydrophobicContact CB-CE3 4.3Å; L48-W141 HydrophobicContact CB-CG 4.14Å; L48-W141 HydrophobicContact CD1-CB 3.95Å; L48-W141 WeakPolarHBondContact CD1-O 3.2Å; L48-M142 HydrophobicContact CD1-SD 3.93Å
49C98.9Very high98.6Very high1 Ų131.7 Ų31.71%0.00718%0.177CC..Hα-helixtrans-62.5-45.3174.8-169.20000111.4T45 D46 F52 V53 C133 L138T45-C49 VanDerWaalsContact O-CB 3.31Å; T45-C49 WeakPolarHBondContact O-CB 3.39Å; T45-C49 PolarHBondContact O-N 3.27Å; D46-C49 PolarHBondContact O-N 3.36Å; C49-F52 PolarHBondContact O-N 2.92Å; C49-V53 WeakPolarHBondContact O-CG1 3.43Å; C49-V53 WeakPolarHBondContact O-CG2 3.27Å; C49-V53 PolarHBondContact O-N 3.23Å; C49-C133 VanDerWaalsContact C-SG 3.51Å; C49-C133 HydrophobicContact CB-CB 3.76Å; C49-C133 WeakPolarHBondContact CB-SG 3.4Å; C49-C133 VanDerWaalsContact SG-CA 3.57Å; C49-C133 WeakPolarHBondContact SG-CB 3.32Å; C49-C133 CovalentContact SG-SG 2.03Å; C49-C133 PolarHBondContact SG-SG 3.45Å; C49-L138 HydrophobicContact CB-CD1 3.98Å; C49-L138 HydrophobicContact CB-CD2 4.16Å
50L98.9Very high98.6Very high0 Ų032.3 Ų32.30%019%0.185CC..Hα-helixtrans-54.3-55.1175.7172.963.3000111.2D46 W47 F52 V53 E54 F75 M123 W126 W129D46-L50 WeakPolarHBondContact O-CB 3.04Å; D46-L50 PolarHBondContact O-N 3.41Å; W47-L50 HydrophobicContact CE3-CD2 4.16Å; W47-L50 HydrophobicContact CZ3-CD2 4.29Å; W47-L50 WeakPolarHBondContact O-CB 3.36Å; W47-L50 PolarHBondContact O-N 3.35Å; L50-F52 VanDerWaalsContact C-N 3.26Å; L50-F52 PolarHBondContact O-N 3.32Å; L50-V53 WeakPolarHBondContact O-CG2 3.39Å; L50-V53 PolarHBondContact O-N 2.95Å; L50-E54 HydrophobicContact CD1-CG 3.6Å; L50-E54 HydrophobicContact CG-CG 4.45Å; L50-E54 WeakPolarHBondContact O-CB 3.49Å; L50-E54 WeakPolarHBondContact O-CG 3.42Å; L50-E54 PolarHBondContact O-N 2.95Å; L50-F75 HydrophobicContact CD2-CD1 3.83Å; L50-F75 HydrophobicContact CD2-CE1 4.33Å; L50-F75 HydrophobicContact CD2-CG 4.37Å; L50-F75 HydrophobicContact CG-CD1 4.04Å; L50-M123 HydrophobicContact CB-CE 4Å; L50-M123 HydrophobicContact CD2-CE 3.65Å; L50-M123 HydrophobicContact CD2-CG 4.46Å; L50-M123 HydrophobicContact CG-CE 4.44Å; L50-W126 HydrophobicContact CD1-CB 3.57Å; L50-W126 HydrophobicContact CD1-CD2 3.96Å; L50-W126 HydrophobicContact CD1-CG 3.39Å; L50-W126 HydrophobicContact CD2-CD2 4.05Å; L50-W126 HydrophobicContact CD2-CE3 4.4Å; L50-W126 HydrophobicContact CD2-CG 4.36Å; L50-W126 HydrophobicContact CD2-CZ2 4.35Å; L50-W129 HydrophobicContact CB-CG 4.44Å; L50-W129 HydrophobicContact CD1-CB 3.77Å; L50-W129 HydrophobicContact CD1-CG 4.38Å
51A98.9Very high98.6Very high0 Ų029.7 Ų29.70%017%0.172CC..Hα-helixtrans-56.8-40.3-179.600000112.4L27 W47 L48 S55 D56 F57 I74 F75L27-A51 HydrophobicContact CD2-CB 3.66Å; W47-A51 PolarHBondContact O-N 3.14Å; L48-A51 PolarHBondContact O-N 3.09Å; A51-S55 PolarHBondContact O-N 3.5Å; A51-S55 PolarHBondContact O-OG 3.48Å; A51-D56 PolarHBondContact O-N 3.25Å; A51-F57 HydrophobicContact CB-CD1 3.75Å; A51-F57 HydrophobicContact CB-CE1 3.83Å; A51-F57 PolarHBondContact O-N 2.05Å; A51-I74 HydrophobicContact CB-CD1 4.08Å; A51-I74 HydrophobicContact CB-CG1 3.77Å; A51-F75 HydrophobicContact CB-CD1 4.31Å; A51-F75 HydrophobicContact CB-CE1 3.98Å
52F98.8Very high98.6Very high86 Ų8629.2 Ų29.238%0.37716%0.155SC..Hα-helixtrans-66.6-52.1177.7-178.3-103.7000112.3L48 C49 L50 E54 D56 F57 W141L48-F52 PolarHBondContact O-N 3.41Å; L48-F52 VanDerWaalsContact O-N 3.07Å; C49-F52 PolarHBondContact O-N 2.92Å; L50-F52 VanDerWaalsContact C-N 3.26Å; L50-F52 PolarHBondContact O-N 3.32Å; F52-E54 PolarHBondContact O-N 3.32Å; F52-D56 WeakPolarHBondContact CD2-OD1 3.5Å; F52-D56 WeakPolarHBondContact CE2-OD1 3.1Å; F52-D56 VanDerWaalsContact O-CA 3.31Å; F52-D56 WeakPolarHBondContact O-CA 3.29Å; F52-D56 PolarHBondContact O-N 2.91Å; F52-F57 HydrophobicContact CB-CE1 3.94Å; F52-F57 HydrophobicContact CB-CE2 4.09Å; F52-F57 HydrophobicContact CB-CZ 3.66Å; F52-F57 HydrophobicContact CD2-CD2 4.02Å; F52-F57 AromaticContact CD2-CE2 3.57Å; F52-F57 HydrophobicContact CD2-CE2 3.57Å; F52-F57 HydrophobicContact CD2-CZ 4.04Å; F52-F57 HydrophobicContact CE2-CE2 4.48Å; F52-F57 HydrophobicContact CG-CE2 4.27Å; F52-F57 HydrophobicContact CG-CZ 4.29Å; F52-W141 HydrophobicContact CB-CH2 3.5Å; F52-W141 VanDerWaalsContact CB-CH2 3.5Å; F52-W141 HydrophobicContact CB-CZ2 3.95Å; F52-W141 HydrophobicContact CB-CZ3 4.15Å; F52-W141 AromaticContact CD1-CH2 3.58Å; F52-W141 HydrophobicContact CD1-CH2 3.58Å; F52-W141 AromaticContact CD1-CZ2 3.9Å; F52-W141 HydrophobicContact CD1-CZ2 3.9Å; F52-W141 AromaticContact CD2-CH2 3.79Å; F52-W141 HydrophobicContact CD2-CH2 3.79Å; F52-W141 HydrophobicContact CD2-CZ3 4.34Å; F52-W141 HydrophobicContact CE1-CH2 4.22Å; F52-W141 HydrophobicContact CE2-CH2 4.38Å; F52-W141 AromaticContact CG-CH2 3.32Å; F52-W141 HydrophobicContact CG-CH2 3.32Å; F52-W141 AromaticContact CG-CZ2 3.99Å; F52-W141 HydrophobicContact CG-CZ2 3.99Å; F52-W141 HydrophobicContact CG-CZ3 4.18Å
53V98.7Very high98.5Very high32 Ų3229.9 Ų29.919%0.19416%0.161CC..Hα-helixtrans-70-26.2-174.7-58.70000112.3C49 L50 K128 H132C49-V53 WeakPolarHBondContact O-CG1 3.43Å; C49-V53 WeakPolarHBondContact O-CG2 3.27Å; C49-V53 PolarHBondContact O-N 3.23Å; L50-V53 WeakPolarHBondContact O-CG2 3.39Å; L50-V53 PolarHBondContact O-N 2.95Å; V53-K128 HydrophobicContact CB-CB 4.22Å; V53-K128 HydrophobicContact CG2-CB 3.8Å; V53-K128 WeakPolarHBondContact O-CD 3.33Å; V53-H132 HydrophobicContact CB-CB 4.46Å; V53-H132 HydrophobicContact CG1-CB 3.75Å
54E98.8Very high98.5Very high13 Ų1334.9 Ų34.96%0.06118%0.18CC..Hα-helixtrans-83.2-50178-71.7-58.4169.600112.6L50 F52 K61 Q76 K128L50-E54 HydrophobicContact CD1-CG 3.6Å; L50-E54 HydrophobicContact CG-CG 4.45Å; L50-E54 WeakPolarHBondContact O-CB 3.49Å; L50-E54 WeakPolarHBondContact O-CG 3.42Å; L50-E54 PolarHBondContact O-N 2.95Å; F52-E54 PolarHBondContact O-N 3.32Å; E54-K61 PolarHBondContact O-NZ 3.25Å; E54-Q76 HydrophobicContact CB-CB 4.03Å; E54-Q76 HydrophobicContact CB-CG 3.63Å; E54-Q76 HydrophobicContact CG-CB 4.35Å; E54-Q76 HydrophobicContact CG-CG 4.45Å; E54-K128 WeakPolarHBondContact OE1-CB 3.27Å; E54-K128 WeakPolarHBondContact OE2-CD 3.49Å; E54-K128 WeakPolarHBondContact OE2-CE 3.43Å; E54-K128 IonicContact OE2-NZ 2.78Å; E54-K128 PolarHBondContact OE2-NZ 3.31Å
55S98.7Very high98.4Very high2 Ų237.1 Ų37.11%0.01419%0.192CC..Hα-helixtrans-126.7-2.3-170.285.70000116.8A51 F57 N58 K61 I74A51-S55 PolarHBondContact O-N 3.5Å; A51-S55 PolarHBondContact O-OG 3.48Å; S55-F57 PolarHBondContact O-N 3.43Å; S55-F57 PolarHBondContact OG-N 2.7Å; S55-N58 VanDerWaalsContact CB-O 3.29Å; S55-N58 WeakPolarHBondContact CB-O 2.84Å; S55-N58 WeakPolarHBondContact O-CB 3.3Å; S55-N58 PolarHBondContact O-N 3.42Å; S55-N58 VanDerWaalsContact O-N 3.12Å; S55-N58 PolarHBondContact OG-N 3.12Å; S55-N58 VanDerWaalsContact OG-N 3.08Å; S55-N58 PolarHBondContact OG-O 3.33Å; S55-K61 VanDerWaalsContact CA-CD 3.5Å; S55-I74 WeakPolarHBondContact OG-CA 3.08Å; S55-I74 PolarHBondContact OG-O 3.16Å
56D98.3Very high98.3Very high99 Ų9943.5 Ų43.553%0.52923%0.232SC..THydrogen-bonded Turntrans54.740.6-169.2-164.628000111.4A51 F52 N58A51-D56 PolarHBondContact O-N 3.25Å; F52-D56 WeakPolarHBondContact CD2-OD1 3.5Å; F52-D56 WeakPolarHBondContact CE2-OD1 3.1Å; F52-D56 VanDerWaalsContact O-CA 3.31Å; F52-D56 WeakPolarHBondContact O-CA 3.29Å; F52-D56 PolarHBondContact O-N 2.91Å; D56-N58 PolarHBondContact O-N 2.87Å; D56-N58 VanDerWaalsContact O-N 3.14Å
57F98.6Very high98Very high22 Ų2247.2 Ų47.210%0.09625%0.251CS..THydrogen-bonded Turntrans59.717.9-174.7-52.1-58000115.5I22 R24 L27 L48 A51 F52 S55 I59 W141I22-F57 HydrophobicContact CG2-CB 4.11Å; I22-F57 PolarHBondContact N-O 3.32Å; I22-F57 VanDerWaalsContact N-O 3.15Å; I22-F57 WeakPolarHBondContact O-CB 3.33Å; R24-F57 HydrophobicContact CB-CE2 4.21Å; R24-F57 HydrophobicContact CB-CZ 4.28Å; R24-F57 HydrophobicContact CG-CZ 4.31Å; L27-F57 HydrophobicContact CD2-CD1 3.62Å; L27-F57 HydrophobicContact CD2-CE1 3.84Å; L48-F57 WeakPolarHBondContact O-CE1 3.41Å; A51-F57 HydrophobicContact CB-CD1 3.75Å; A51-F57 HydrophobicContact CB-CE1 3.83Å; A51-F57 PolarHBondContact O-N 2.05Å; F52-F57 HydrophobicContact CB-CE1 3.94Å; F52-F57 HydrophobicContact CB-CE2 4.09Å; F52-F57 HydrophobicContact CB-CZ 3.66Å; F52-F57 HydrophobicContact CD2-CD2 4.02Å; F52-F57 AromaticContact CD2-CE2 3.57Å; F52-F57 HydrophobicContact CD2-CE2 3.57Å; F52-F57 HydrophobicContact CD2-CZ 4.04Å; F52-F57 HydrophobicContact CE2-CE2 4.48Å; F52-F57 HydrophobicContact CG-CE2 4.27Å; F52-F57 HydrophobicContact CG-CZ 4.29Å; S55-F57 PolarHBondContact O-N 3.43Å; S55-F57 PolarHBondContact OG-N 2.7Å; F57-I59 PolarHBondContact O-N 3.4Å; F57-W141 AromaticContact CE2-CZ3 3.93Å; F57-W141 HydrophobicContact CE2-CZ3 3.93Å; F57-W141 HydrophobicContact CZ-CE3 4.08Å; F57-W141 HydrophobicContact CZ-CH2 4.2Å; F57-W141 AromaticContact CZ-CZ3 3.52Å; F57-W141 HydrophobicContact CZ-CZ3 3.52Å
58N98.5Very high97.8Very high41 Ų4148.7 Ų48.722%0.21927%0.266CS..BIsolated β-bridgetrans-79.3112.5172.5-171.5-19.3000110.6S20 L21 S55 D56 T60 K61 I74S20-N58 CarbonylContact O-C 3.57Å; S20-N58 WeakPolarHBondContact O-CA 3.34Å; S20-N58 PolarHBondContact O-OD1 2.97Å; L21-N58 HydrophobicContact CD2-CB 3.76Å; S55-N58 VanDerWaalsContact CB-O 3.29Å; S55-N58 WeakPolarHBondContact CB-O 2.84Å; S55-N58 WeakPolarHBondContact O-CB 3.3Å; S55-N58 PolarHBondContact O-N 3.42Å; S55-N58 VanDerWaalsContact O-N 3.12Å; S55-N58 PolarHBondContact OG-N 3.12Å; S55-N58 VanDerWaalsContact OG-N 3.08Å; S55-N58 PolarHBondContact OG-O 3.33Å; D56-N58 PolarHBondContact O-N 2.87Å; D56-N58 VanDerWaalsContact O-N 3.14Å; N58-T60 VanDerWaalsContact C-N 3.33Å; N58-T60 PolarHBondContact OD1-N 3.29Å; N58-T60 PolarHBondContact OD1-OG1 3.28Å; N58-K61 HydrophobicContact CB-CB 4.04Å; N58-K61 PolarHBondContact OD1-N 3.07Å; N58-I74 WeakPolarHBondContact O-CA 3.17Å
59I98.4Very high97.8Very high9 Ų948.8 Ų48.85%0.04627%0.267CS..THydrogen-bonded Turntrans-67-33.9179-61166.9000111.4S20 I22 F57 G73 I74 S103 L106S20-I59 PolarHBondContact O-N 3.28Å; I22-I59 HydrophobicContact CB-CD1 3.81Å; I22-I59 HydrophobicContact CB-CG1 4.22Å; I22-I59 HydrophobicContact CG2-CD1 4.23Å; I22-I59 HydrophobicContact CG2-CG1 4.09Å; F57-I59 PolarHBondContact O-N 3.4Å; I59-G73 WeakPolarHBondContact O-CA 3.3Å; I59-I74 HydrophobicContact CG1-CD1 4.45Å; I59-S103 VanDerWaalsContact CG2-O 3.27Å; I59-S103 WeakPolarHBondContact CG2-O 3.37Å; I59-L106 HydrophobicContact CD1-CD2 4.24Å; I59-L106 HydrophobicContact CG1-CD2 4.04Å; I59-L106 HydrophobicContact CG2-CD2 3.76Å
60T97.8Very high97.7Very high62 Ų6250.6 Ų50.638%0.3828%0.275SS..THydrogen-bonded Turntrans-102.819-173.964.60000112.4S20 N58S20-T60 VanDerWaalsContact CB-OG1 3.3Å; S20-T60 WeakPolarHBondContact CB-OG1 3.35Å; N58-T60 VanDerWaalsContact C-N 3.33Å; N58-T60 PolarHBondContact OD1-N 3.29Å; N58-T60 PolarHBondContact OD1-OG1 3.28Å
61K98.1Very high97.7Very high56 Ų5651.8 Ų51.824%0.24328%0.282CS..  trans-70.3132.1-178.4-171.4177.4-175.8178.60110.8E54 S55 N58 N63 G73 Q76E54-K61 PolarHBondContact O-NZ 3.25Å; S55-K61 VanDerWaalsContact CA-CD 3.5Å; N58-K61 HydrophobicContact CB-CB 4.04Å; N58-K61 PolarHBondContact OD1-N 3.07Å; K61-N63 WeakPolarHBondContact CE-OD1 3.41Å; K61-G73 PolarHBondContact O-N 2.97Å; K61-Q76 PolarHBondContact O-NE2 3.22Å; K61-Q76 VanDerWaalsContact O-NE2 3.12Å
62V98.2Very high97.7Very high60 Ų6052 Ų5236%0.36428%0.283SS..EExtended strand (participates in β ladder)trans-128.8130172.6-177.70000108.6F70 D71 Y72 L102V62-F70 HydrophobicContact CG1-CB 4.36Å; V62-F70 HydrophobicContact CG1-CD1 4Å; V62-D71 VanDerWaalsContact CA-O 3.31Å; V62-D71 WeakPolarHBondContact CA-O 3.36Å; V62-Y72 HydrophobicContact CG1-CD1 4.45Å; V62-Y72 HydrophobicContact CG1-CE1 4.15Å; V62-Y72 HydrophobicContact CG2-CD1 3.96Å; V62-Y72 HydrophobicContact CG2-CE1 4.18Å; V62-L102 HydrophobicContact CG2-CD1 3.75Å; V62-L102 HydrophobicContact CG2-CD2 3.88Å; V62-L102 HydrophobicContact CG2-CG 4.48Å
63N97.9Very high97.7Very high53 Ų5348 Ų4828%0.28327%0.265SS..EExtended strand (participates in β ladder)trans-122.9141.3172.1-62.2-22.4000110.1K61 F70 D71 Q76K61-N63 WeakPolarHBondContact CE-OD1 3.41Å; N63-F70 CarbonylContact O-C 3.5Å; N63-F70 VanDerWaalsContact O-CA 3.23Å; N63-F70 WeakPolarHBondContact O-CA 3.34Å; N63-D71 PolarHBondContact N-O 3.25Å; N63-D71 VanDerWaalsContact N-O 3.11Å; N63-D71 PolarHBondContact O-N 3.41Å; N63-Q76 VanDerWaalsContact CG-OE1 3.24Å; N63-Q76 PolarHBondContact ND2-OE1 3.5Å
64E97.4Very high97.7Very high142 Ų14246.5 Ų46.566%0.66426%0.256SS*.EExtended strand (participates in β ladder)trans-88.2137.6171.3-172.9176.8-179.600110.3F70E64-F70 HydrophobicContact CB-CD1 3.84Å; E64-F70 HydrophobicContact CB-CE1 3.54Å; E64-F70 HydrophobicContact CB-CZ 4.24Å; E64-F70 HydrophobicContact CG-CD1 4.19Å; E64-F70 HydrophobicContact CG-CE1 3.63Å; E64-F70 HydrophobicContact CG-CE2 4.49Å; E64-F70 HydrophobicContact CG-CZ 3.79Å
65N96.8Very high97.7Very high51 Ų5145.9 Ų45.927%0.27325%0.253SS..  trans-99.3159.5174.3-70.8-60.7000111.3D67 G68 S69 D71 N78N65-D67 VanDerWaalsContact CB-OD1 3.32Å; N65-D67 WeakPolarHBondContact CB-OD1 3.43Å; N65-D67 PolarHBondContact O-N 3.4Å; N65-D67 VanDerWaalsContact O-N 3.17Å; N65-G68 PolarHBondContact O-N 2.87Å; N65-S69 WeakPolarHBondContact CB-O 3.38Å; N65-S69 PolarHBondContact N-O 3.35Å; N65-S69 PolarHBondContact ND2-OG 3.22Å; N65-D71 PolarHBondContact ND2-OD1 2.93Å; N65-D71 PolarHBondContact ND2-OD2 3.03Å; N65-D71 VanDerWaalsContact ND2-OD2 3.11Å; N65-N78 PolarHBondContact ND2-ND2 3.07Å
66T95.1Very high97.7Very high158 Ų15846.2 Ų46.297%0.96925%0.254SS*.THydrogen-bonded Turntrans-63.1-24.1-177.3-50.30000113.6G68T66-G68 VanDerWaalsContact C-N 3.26Å
67D93.4Very high97.7Very high104 Ų10441.6 Ų41.656%0.55623%0.229SC*.THydrogen-bonded Turntrans-83.81.7176.566.2-4.8000113.6N65 S69N65-D67 VanDerWaalsContact CB-OD1 3.32Å; N65-D67 WeakPolarHBondContact CB-OD1 3.43Å; N65-D67 PolarHBondContact O-N 3.4Å; N65-D67 VanDerWaalsContact O-N 3.17Å; D67-S69 VanDerWaalsContact C-N 3.32Å; D67-S69 WeakPolarHBondContact OD1-CB 3.45Å; D67-S69 PolarHBondContact OD1-N 2.95Å; D67-S69 PolarHBondContact OD1-OG 3.49Å
68G95.2Very high97.7Very high31 Ų3141.6 Ų41.632%0.3223%0.23SC..SBendtrans82.91.7-178.600000114.6N65 T66 F70N65-G68 PolarHBondContact O-N 2.87Å; T66-G68 VanDerWaalsContact C-N 3.26Å; G68-F70 WeakPolarHBondContact O-CE2 3.43Å
69S97.6Very high97.7Very high2 Ų239.6 Ų39.61%0.01422%0.22CC..  trans-77.2166.1167.270.50000111N65 D67 N78N65-S69 WeakPolarHBondContact CB-O 3.38Å; N65-S69 PolarHBondContact N-O 3.35Å; N65-S69 PolarHBondContact ND2-OG 3.22Å; D67-S69 VanDerWaalsContact C-N 3.32Å; D67-S69 WeakPolarHBondContact OD1-CB 3.45Å; D67-S69 PolarHBondContact OD1-N 2.95Å; D67-S69 PolarHBondContact OD1-OG 3.49Å; S69-N78 PolarHBondContact OG-ND2 3.49Å
70F98.4Very high97.7Very high39 Ų3941.7 Ų41.717%0.17123%0.229CC..EExtended strand (participates in β ladder)trans-129146.3-179.7-67.7-98.8000111V62 N63 E64 G68 Y72 N78 S79V62-F70 HydrophobicContact CG1-CB 4.36Å; V62-F70 HydrophobicContact CG1-CD1 4Å; N63-F70 CarbonylContact O-C 3.5Å; N63-F70 VanDerWaalsContact O-CA 3.23Å; N63-F70 WeakPolarHBondContact O-CA 3.34Å; E64-F70 HydrophobicContact CB-CD1 3.84Å; E64-F70 HydrophobicContact CB-CE1 3.54Å; E64-F70 HydrophobicContact CB-CZ 4.24Å; E64-F70 HydrophobicContact CG-CD1 4.19Å; E64-F70 HydrophobicContact CG-CE1 3.63Å; E64-F70 HydrophobicContact CG-CE2 4.49Å; E64-F70 HydrophobicContact CG-CZ 3.79Å; G68-F70 WeakPolarHBondContact O-CE2 3.43Å; F70-Y72 HydrophobicContact CB-CD2 4.23Å; F70-Y72 HydrophobicContact CB-CE2 3.35Å; F70-Y72 WeakPolarHBondContact O-CD2 3.48Å; F70-Y72 WeakPolarHBondContact O-CE2 3.35Å; F70-N78 CarbonylContact O-C 3.49Å; F70-N78 WeakPolarHBondContact O-CA 3.38Å; F70-S79 PolarHBondContact N-OG 3.04Å; F70-S79 PolarHBondContact O-N 3.03Å; F70-S79 PolarHBondContact O-OG 3.22Å
71D98.6Very high97.7Very high26 Ų2643.6 Ų43.614%0.13923%0.23CC..EExtended strand (participates in β ladder)trans-103.5127.7174.4-61.4-31.2000110.8V62 N63 N65 Q76 N78V62-D71 VanDerWaalsContact CA-O 3.31Å; V62-D71 WeakPolarHBondContact CA-O 3.36Å; N63-D71 PolarHBondContact N-O 3.25Å; N63-D71 VanDerWaalsContact N-O 3.11Å; N63-D71 PolarHBondContact O-N 3.41Å; N65-D71 PolarHBondContact ND2-OD1 2.93Å; N65-D71 PolarHBondContact ND2-OD2 3.03Å; N65-D71 VanDerWaalsContact ND2-OD2 3.11Å; D71-Q76 HydrophobicContact CB-CB 3.91Å; D71-N78 WeakPolarHBondContact OD1-CA 3.38Å; D71-N78 WeakPolarHBondContact OD1-CB 3.47Å; D71-N78 PolarHBondContact OD1-ND2 2.94Å
72Y98.8Very high97.7Very high5 Ų543.6 Ų43.62%0.0223%0.229CC..EExtended strand (participates in β ladder)trans-113135.9-170.6-67.5-97.5000113.3V62 F70 Q76 I77 D85 C98 L102V62-Y72 HydrophobicContact CG1-CD1 4.45Å; V62-Y72 HydrophobicContact CG1-CE1 4.15Å; V62-Y72 HydrophobicContact CG2-CD1 3.96Å; V62-Y72 HydrophobicContact CG2-CE1 4.18Å; F70-Y72 HydrophobicContact CB-CD2 4.23Å; F70-Y72 HydrophobicContact CB-CE2 3.35Å; F70-Y72 WeakPolarHBondContact O-CD2 3.48Å; F70-Y72 WeakPolarHBondContact O-CE2 3.35Å; Y72-Q76 CarbonylContact O-C 3.58Å; Y72-Q76 WeakPolarHBondContact O-CA 3.42Å; Y72-Q76 PolarHBondContact O-N 2.86Å; Y72-I77 PolarHBondContact N-O 3.44Å; Y72-I77 PolarHBondContact O-N 2.86Å; Y72-D85 HydrophobicContact CE2-CB 4.21Å; Y72-D85 WeakPolarHBondContact OH-CB 3.37Å; Y72-C98 HydrophobicContact CD1-CB 3.77Å; Y72-C98 HydrophobicContact CD2-CB 3.7Å; Y72-C98 HydrophobicContact CE1-CB 3.74Å; Y72-C98 HydrophobicContact CE2-CB 3.64Å; Y72-C98 HydrophobicContact CG-CB 3.77Å; Y72-L102 HydrophobicContact CD1-CD1 4.19Å; Y72-L102 HydrophobicContact CD1-CD2 4.04Å; Y72-L102 HydrophobicContact CD1-CG 4.18Å
73G98.6Very high97.7Very high0 Ų040.8 Ų40.80%021%0.211CC..THydrogen-bonded Turntrans71.1-165.2163.100000115.2I59 K61 F75 Q76I59-G73 WeakPolarHBondContact O-CA 3.3Å; K61-G73 PolarHBondContact O-N 2.97Å; G73-F75 PolarHBondContact O-N 3.09Å; G73-F75 VanDerWaalsContact O-N 3.12Å; G73-Q76 PolarHBondContact O-N 3.47Å; G73-Q76 PolarHBondContact O-NE2 3.43Å
74I98.8Very high97.7Very high1 Ų139.8 Ų39.81%0.00521%0.206CC..THydrogen-bonded Turntrans-61.5-26.9-168.7-165.2166.5000114.3I22 L27 A51 S55 N58 I59 L106 I109I22-I74 HydrophobicContact CG2-CD1 3.52Å; L27-I74 HydrophobicContact CD1-CD1 3.95Å; L27-I74 HydrophobicContact CD2-CD1 3.65Å; L27-I74 HydrophobicContact CG-CD1 4.44Å; A51-I74 HydrophobicContact CB-CD1 4.08Å; A51-I74 HydrophobicContact CB-CG1 3.77Å; S55-I74 WeakPolarHBondContact OG-CA 3.08Å; S55-I74 PolarHBondContact OG-O 3.16Å; N58-I74 WeakPolarHBondContact O-CA 3.17Å; I59-I74 HydrophobicContact CG1-CD1 4.45Å; I74-L106 HydrophobicContact CG2-CD2 4.47Å; I74-I109 HydrophobicContact CG2-CD1 3.82Å; I74-I109 HydrophobicContact CG2-CG2 3.98Å
75F98.8Very high97.7Very high1 Ų133.3 Ų33.30%0.00418%0.176CC..THydrogen-bonded Turntrans-103.75.4176.8-58.9-44.6000113.5L31 W47 L50 A51 G73 I77 I109 I110 A113 W126L31-F75 HydrophobicContact CD2-CZ 3.9Å; W47-F75 HydrophobicContact CE3-CE1 4.34Å; W47-F75 HydrophobicContact CE3-CZ 4.18Å; L50-F75 HydrophobicContact CD2-CD1 3.83Å; L50-F75 HydrophobicContact CD2-CE1 4.33Å; L50-F75 HydrophobicContact CD2-CG 4.37Å; L50-F75 HydrophobicContact CG-CD1 4.04Å; A51-F75 HydrophobicContact CB-CD1 4.31Å; A51-F75 HydrophobicContact CB-CE1 3.98Å; G73-F75 PolarHBondContact O-N 3.09Å; G73-F75 VanDerWaalsContact O-N 3.12Å; F75-I77 HydrophobicContact CB-CG1 4.13Å; F75-I77 PolarHBondContact O-N 3.41Å; F75-I109 HydrophobicContact CB-CD1 4.09Å; F75-I109 HydrophobicContact CB-CG1 4.49Å; F75-I109 HydrophobicContact CD2-CD1 4.15Å; F75-I109 HydrophobicContact CD2-CG1 4.01Å; F75-I109 HydrophobicContact CD2-CG2 4.33Å; F75-I109 HydrophobicContact CE2-CG2 4.44Å; F75-I109 HydrophobicContact CG-CD1 4.4Å; F75-I110 HydrophobicContact CE2-CG1 4.16Å; F75-A113 HydrophobicContact CD2-CB 3.71Å; F75-A113 HydrophobicContact CE2-CB 4.05Å; F75-W126 PolarHBondContact O-NE1 3.2Å
76Q98.8Very high97.7Very high8 Ų838.9 Ų38.94%0.03720%0.195CC..THydrogen-bonded Turntrans50.555.6178.3-64.5-69.1-93.800111.9E54 K61 N63 D71 Y72 G73E54-Q76 HydrophobicContact CB-CB 4.03Å; E54-Q76 HydrophobicContact CB-CG 3.63Å; E54-Q76 HydrophobicContact CG-CB 4.35Å; E54-Q76 HydrophobicContact CG-CG 4.45Å; K61-Q76 PolarHBondContact O-NE2 3.22Å; K61-Q76 VanDerWaalsContact O-NE2 3.12Å; N63-Q76 VanDerWaalsContact CG-OE1 3.24Å; N63-Q76 PolarHBondContact ND2-OE1 3.5Å; D71-Q76 HydrophobicContact CB-CB 3.91Å; Y72-Q76 CarbonylContact O-C 3.58Å; Y72-Q76 WeakPolarHBondContact O-CA 3.42Å; Y72-Q76 PolarHBondContact O-N 2.86Å; G73-Q76 PolarHBondContact O-N 3.47Å; G73-Q76 PolarHBondContact O-NE2 3.43Å
77I98.8Very high97.5Very high2 Ų237.8 Ų37.81%0.0118%0.178CC..EExtended strand (participates in β ladder)trans-78.2122.1-179.1-65.4-171.9000109.3Y72 F75 W82 L101 I109 C112 A113 I116Y72-I77 PolarHBondContact N-O 3.44Å; Y72-I77 PolarHBondContact O-N 2.86Å; F75-I77 HydrophobicContact CB-CG1 4.13Å; F75-I77 PolarHBondContact O-N 3.41Å; I77-W82 HydrophobicContact CG2-CB 3.33Å; I77-W82 HydrophobicContact CG2-CG 3.87Å; I77-L101 HydrophobicContact CB-CD1 3.93Å; I77-L101 HydrophobicContact CD1-CD1 4.5Å; I77-L101 HydrophobicContact CG2-CD1 3.85Å; I77-I109 HydrophobicContact CD1-CD1 4.37Å; I77-I109 HydrophobicContact CD1-CG1 3.54Å; I77-I109 HydrophobicContact CG1-CD1 4.47Å; I77-I109 HydrophobicContact CG1-CG1 4.14Å; I77-C112 HydrophobicContact CD1-CB 3.76Å; I77-A113 HydrophobicContact CD1-CB 4.49Å; I77-I116 HydrophobicContact CD1-CD1 4.13Å; I77-I116 HydrophobicContact CG1-CD1 4.2Å; I77-I116 HydrophobicContact CG2-CD1 4.37Å
78N98.4Very high97.2Very high22 Ų2234 Ų3412%0.11816%0.161CC..EExtended strand (participates in β ladder)trans-77.2134-172.9-175.1-90.8000113.6N65 S69 F70 D71 H80 Y81 W82N65-N78 PolarHBondContact ND2-ND2 3.07Å; S69-N78 PolarHBondContact OG-ND2 3.49Å; F70-N78 CarbonylContact O-C 3.49Å; F70-N78 WeakPolarHBondContact O-CA 3.38Å; D71-N78 WeakPolarHBondContact OD1-CA 3.38Å; D71-N78 WeakPolarHBondContact OD1-CB 3.47Å; D71-N78 PolarHBondContact OD1-ND2 2.94Å; N78-H80 PolarHBondContact O-N 3.29Å; N78-H80 WeakPolarHBondContact OD1-CA 3.48Å; N78-H80 WeakPolarHBondContact OD1-CB 3.47Å; N78-H80 PolarHBondContact OD1-N 3.19Å; N78-Y81 HydrophobicContact CB-CD2 4.48Å; N78-Y81 WeakPolarHBondContact OD1-CD2 3.33Å; N78-W82 WeakPolarHBondContact O-CB 3.49Å; N78-W82 PolarHBondContact O-N 3.27Å; N78-W82 VanDerWaalsContact O-N 3.07Å
79S98.4Very high97.1Very high0 Ų039.3 Ų39.30%018%0.176CC..THydrogen-bonded Turntrans-71.9-21.3-179.656.20000114.8F70 Y81 C83 D85 S88 T90F70-S79 PolarHBondContact N-OG 3.04Å; F70-S79 PolarHBondContact O-N 3.03Å; F70-S79 PolarHBondContact O-OG 3.22Å; S79-Y81 PolarHBondContact O-N 2.89Å; S79-C83 CarbonylContact C-O 3.52Å; S79-C83 WeakPolarHBondContact CA-O 3.21Å; S79-D85 WeakPolarHBondContact CB-OD2 3.15Å; S79-D85 PolarHBondContact OG-OD2 2.87Å; S79-S88 PolarHBondContact OG-OG 2.76Å; S79-S88 VanDerWaalsContact OG-OG 3.1Å; S79-T90 WeakPolarHBondContact O-CB 3.33Å; S79-T90 PolarHBondContact O-OG1 3.17Å
80H97.6Very high97.1Very high53 Ų5340.5 Ų40.525%0.24518%0.184CC..THydrogen-bonded Turntrans-61.9-34.6176.8-166.291.1000112N78 H89 T90 E91N78-H80 PolarHBondContact O-N 3.29Å; N78-H80 WeakPolarHBondContact OD1-CA 3.48Å; N78-H80 WeakPolarHBondContact OD1-CB 3.47Å; N78-H80 PolarHBondContact OD1-N 3.19Å; H80-H89 WeakPolarHBondContact CA-O 3.22Å; H80-T90 CarbonylContact O-C 3.58Å; H80-T90 WeakPolarHBondContact O-CA 3.42Å; H80-E91 PolarHBondContact O-N 3.02Å
81Y97.4Very high97Very high102 Ų10243.8 Ų43.840%0.420%0.2SC..THydrogen-bonded Turntrans-113.2-37.1-172.4-55.5-78.8000113.6N78 S79 N92 N93N78-Y81 HydrophobicContact CB-CD2 4.48Å; N78-Y81 WeakPolarHBondContact OD1-CD2 3.33Å; S79-Y81 PolarHBondContact O-N 2.89Å; Y81-N92 PolarHBondContact O-N 2.96Å; Y81-N93 VanDerWaalsContact O-CB 3.29Å; Y81-N93 WeakPolarHBondContact O-CB 3.37Å; Y81-N93 PolarHBondContact O-N 3.14Å; Y81-N93 PolarHBondContact O-ND2 2.82Å
82W98.3Very high97Very high56 Ų5644.6 Ų44.621%0.21220%0.204CC..THydrogen-bonded Turntrans-111.6-36.1-157.2-60.6109000114.6I77 N78 N93 C94 I116I77-W82 HydrophobicContact CG2-CB 3.33Å; I77-W82 HydrophobicContact CG2-CG 3.87Å; N78-W82 WeakPolarHBondContact O-CB 3.49Å; N78-W82 PolarHBondContact O-N 3.27Å; N78-W82 VanDerWaalsContact O-N 3.07Å; W82-N93 HydrophobicContact CE3-CB 3.72Å; W82-N93 HydrophobicContact CZ3-CB 3.91Å; W82-C94 WeakPolarHBondContact O-CA 3.26Å; W82-C94 WeakPolarHBondContact O-CB 3.42Å; W82-C94 PolarHBondContact O-N 2.94Å; W82-I116 HydrophobicContact CD2-CD1 3.78Å; W82-I116 HydrophobicContact CD2-CG1 3.55Å; W82-I116 HydrophobicContact CE3-CD1 4.24Å; W82-I116 HydrophobicContact CE3-CG1 3.56Å; W82-I116 HydrophobicContact CG-CD1 3.99Å; W82-I116 HydrophobicContact CG-CG1 4.29Å; W82-I116 HydrophobicContact CH2-CB 4.16Å; W82-I116 HydrophobicContact CH2-CG1 3.68Å; W82-I116 HydrophobicContact CH2-CG2 4.26Å; W82-I116 HydrophobicContact CZ2-CB 4.23Å; W82-I116 HydrophobicContact CZ2-CD1 4.37Å; W82-I116 HydrophobicContact CZ2-CG1 3.66Å; W82-I116 HydrophobicContact CZ2-CG2 3.95Å; W82-I116 HydrophobicContact CZ3-CB 4.43Å; W82-I116 HydrophobicContact CZ3-CG1 3.62Å
83C98.6Very high96.9Very high0 Ų047.1 Ų47.10%022%0.218CC..  trans-136.6161.4-177.264.70000111.1S79 T90 V96 C98 L101S79-C83 CarbonylContact C-O 3.52Å; S79-C83 WeakPolarHBondContact CA-O 3.21Å; C83-T90 PolarHBondContact O-OG1 3.39Å; C83-V96 WeakPolarHBondContact CA-O 3.45Å; C83-V96 HydrophobicContact CB-CG1 3.7Å; C83-V96 WeakPolarHBondContact CB-O 3.49Å; C83-C98 HydrophobicContact CB-CB 3.97Å; C83-C98 WeakPolarHBondContact CB-SG 3.07Å; C83-C98 PolarHBondContact O-SG 2.89Å; C83-C98 VanDerWaalsContact O-SG 3.36Å; C83-C98 WeakPolarHBondContact SG-CA 3.25Å; C83-C98 WeakPolarHBondContact SG-CB 3.1Å; C83-C98 CovalentContact SG-SG 2.04Å; C83-C98 PolarHBondContact SG-SG 2.78Å; C83-L101 HydrophobicContact CB-CD1 3.81Å
84N98.4Very high96.9Very high32 Ų3248.2 Ų48.217%0.17123%0.225CC..BIsolated β-bridgetrans-101.4118.6177.4-169.6-2.3000111.5Y86 T90 N92 V96 D97 C98N84-Y86 WeakPolarHBondContact ND2-CE1 3.46Å; N84-Y86 PolarHBondContact OD1-N 2.99Å; N84-T90 HydrophobicContact CB-CG2 3.9Å; N84-N92 HydrophobicContact CB-CB 4.38Å; N84-V96 PolarHBondContact N-O 2.91Å; N84-D97 WeakPolarHBondContact O-CA 3.3Å; N84-C98 PolarHBondContact O-N 3.45Å
85D97.3Very high96.9Very high7 Ų756.2 Ų56.24%0.03726%0.263CS..  trans-99.9-2.8176.162.113.8000113.3Y72 S79 Q87 S88 C98Y72-D85 HydrophobicContact CE2-CB 4.21Å; Y72-D85 WeakPolarHBondContact OH-CB 3.37Å; S79-D85 WeakPolarHBondContact CB-OD2 3.15Å; S79-D85 PolarHBondContact OG-OD2 2.87Å; D85-Q87 PolarHBondContact O-N 3.33Å; D85-Q87 VanDerWaalsContact O-N 3.1Å; D85-Q87 PolarHBondContact O-NE2 2.85Å; D85-Q87 PolarHBondContact OD1-N 2.97Å; D85-S88 PolarHBondContact OD1-N 3.36Å; D85-S88 PolarHBondContact OD1-OG 3.25Å; D85-S88 PolarHBondContact OD2-OG 2.95Å; D85-C98 HydrophobicContact CB-CB 4.03Å; D85-C98 PolarHBondContact N-SG 3.49Å; D85-C98 VanDerWaalsContact N-SG 3.44Å
86Y95.9Very high96.9Very high167 Ų16757.5 Ų57.566%0.65527%0.27SS*.SBendtrans54.219.7-174-51.2-82.7000115N84 D97N84-Y86 WeakPolarHBondContact ND2-CE1 3.46Å; N84-Y86 PolarHBondContact OD1-N 2.99Å; Y86-D97 WeakPolarHBondContact CE2-OD2 3.02Å
87Q91.5Very high96.9Very high135 Ų13559.6 Ų59.663%0.63128%0.282SS*.SBendtrans-121.6-35.7-178.2-71.6172.383.100111.7D85D85-Q87 PolarHBondContact O-N 3.33Å; D85-Q87 VanDerWaalsContact O-N 3.1Å; D85-Q87 PolarHBondContact O-NE2 2.85Å; D85-Q87 PolarHBondContact OD1-N 2.97Å
88S86.9Confident96.8Very high26 Ų2659.5 Ų59.518%0.18228%0.282CS..SBendtrans-116.3163.4178.9670000111.3S79 D85S79-S88 PolarHBondContact OG-OG 2.76Å; S79-S88 VanDerWaalsContact OG-OG 3.1Å; D85-S88 PolarHBondContact OD1-N 3.36Å; D85-S88 PolarHBondContact OD1-OG 3.25Å; D85-S88 PolarHBondContact OD2-OG 2.95Å
89H93.4Very high96.8Very high141 Ų14163.6 Ų63.665%0.65330%0.3SS*.  trans-66.2138.1170.9176.771.6000109.8H80H80-H89 WeakPolarHBondContact CA-O 3.22Å
90T96.7Very high96.8Very high28 Ų2868.7 Ų68.717%0.17232%0.324CS..  trans-140.5141.3-177.2-175.10000113.1S79 H80 C83 N84 N92S79-T90 WeakPolarHBondContact O-CB 3.33Å; S79-T90 PolarHBondContact O-OG1 3.17Å; H80-T90 CarbonylContact O-C 3.58Å; H80-T90 WeakPolarHBondContact O-CA 3.42Å; C83-T90 PolarHBondContact O-OG1 3.39Å; N84-T90 HydrophobicContact CB-CG2 3.9Å; T90-N92 HydrophobicContact CG2-CB 4.12Å; T90-N92 WeakPolarHBondContact OG1-CA 3.31Å; T90-N92 PolarHBondContact OG1-N 3.08Å
91E97.3Very high96.9Very high108 Ų10866.2 Ų66.251%0.50531%0.312SS..  trans-77.6-23.2163.7-61.8-178.9-177.200112.3H80 N93H80-E91 PolarHBondContact O-N 3.02Å; E91-N93 VanDerWaalsContact C-N 3.33Å; E91-N93 PolarHBondContact O-N 3.23Å; E91-N93 PolarHBondContact OE2-ND2 3.28Å
92N97.9Very high96.9Very high43 Ų4362.7 Ų62.723%0.2330%0.3CS..  trans48.248.4-178.8-168.718.6000113.9Y81 N84 T90 C94 Q95 V96Y81-N92 PolarHBondContact O-N 2.96Å; N84-N92 HydrophobicContact CB-CB 4.38Å; T90-N92 HydrophobicContact CG2-CB 4.12Å; T90-N92 WeakPolarHBondContact OG1-CA 3.31Å; T90-N92 PolarHBondContact OG1-N 3.08Å; N92-C94 PolarHBondContact O-N 3.2Å; N92-Q95 PolarHBondContact O-N 2.03Å; N92-Q95 WeakPolarHBondContact OD1-CA 2.99Å; N92-Q95 PolarHBondContact OD1-N 3.37Å; N92-V96 PolarHBondContact OD1-N 3.44Å; N92-V96 VanDerWaalsContact OD1-N 3.08Å; N92-V96 PolarHBondContact OD1-O 3.43Å
93N98.1Very high96.8Very high57 Ų5761.6 Ų61.631%0.30530%0.301SS..THydrogen-bonded Turntrans-60.5-30.5-175.8-74.9-49.9000113.1Y81 W82 E91 Q95 K115Y81-N93 VanDerWaalsContact O-CB 3.29Å; Y81-N93 WeakPolarHBondContact O-CB 3.37Å; Y81-N93 PolarHBondContact O-N 3.14Å; Y81-N93 PolarHBondContact O-ND2 2.82Å; W82-N93 HydrophobicContact CE3-CB 3.72Å; W82-N93 HydrophobicContact CZ3-CB 3.91Å; E91-N93 VanDerWaalsContact C-N 3.33Å; E91-N93 PolarHBondContact O-N 3.23Å; E91-N93 PolarHBondContact OE2-ND2 3.28Å; N93-Q95 VanDerWaalsContact C-N 3.34Å; N93-K115 VanDerWaalsContact O-CE 3.25Å; N93-K115 WeakPolarHBondContact O-CE 3.36Å; N93-K115 PolarHBondContact O-NZ 2.93Å
94C98.4Very high96.6Very high24 Ų2464.9 Ų64.916%0.16232%0.322CS..THydrogen-bonded Turntrans-84.4-5176.2-63.60000114W82 N92 V96 C112W82-C94 WeakPolarHBondContact O-CA 3.26Å; W82-C94 WeakPolarHBondContact O-CB 3.42Å; W82-C94 PolarHBondContact O-N 2.94Å; N92-C94 PolarHBondContact O-N 3.2Å; C94-V96 VanDerWaalsContact C-N 3.29Å; C94-V96 HydrophobicContact CB-CG1 3.76Å; C94-V96 PolarHBondContact O-N 2.84Å; C94-C112 HydrophobicContact CB-CB 3.7Å; C94-C112 WeakPolarHBondContact CB-SG 3.37Å; C94-C112 WeakPolarHBondContact SG-CA 3.18Å; C94-C112 WeakPolarHBondContact SG-CB 3.33Å; C94-C112 CovalentContact SG-SG 2.03Å; C94-C112 PolarHBondContact SG-SG 3.07Å
95Q98.1Very high96.5Very high169 Ų16967.6 Ų67.679%0.7934%0.337SS*.  trans53.845.3-179.5-59.8-178.2-21.200112.7N92 N93N92-Q95 PolarHBondContact O-N 2.03Å; N92-Q95 WeakPolarHBondContact OD1-CA 2.99Å; N92-Q95 PolarHBondContact OD1-N 3.37Å; N93-Q95 VanDerWaalsContact C-N 3.34Å
96V98.4Very high96.5Very high27 Ų2767.6 Ų67.616%0.16434%0.337CS..  trans-136.4146-172.870.80000110.3C83 N84 N92 C94 E100 L101 A108C83-V96 WeakPolarHBondContact CA-O 3.45Å; C83-V96 HydrophobicContact CB-CG1 3.7Å; C83-V96 WeakPolarHBondContact CB-O 3.49Å; N84-V96 PolarHBondContact N-O 2.91Å; N92-V96 PolarHBondContact OD1-N 3.44Å; N92-V96 VanDerWaalsContact OD1-N 3.08Å; N92-V96 PolarHBondContact OD1-O 3.43Å; C94-V96 VanDerWaalsContact C-N 3.29Å; C94-V96 HydrophobicContact CB-CG1 3.76Å; C94-V96 PolarHBondContact O-N 2.84Å; V96-E100 HydrophobicContact CG2-CB 3.87Å; V96-E100 HydrophobicContact CG2-CG 4.39Å; V96-L101 HydrophobicContact CG1-CD2 3.95Å; V96-L101 HydrophobicContact CG1-CG 4.42Å; V96-L101 HydrophobicContact CG2-CD2 4.31Å; V96-A108 HydrophobicContact CG2-CB 4.42Å
97D98.4Very high96.6Very high53 Ų5362.8 Ų62.828%0.28332%0.322SS..BIsolated β-bridgetrans-70.2132.3168.2-171-38.1000108.8N84 Y86 Q99 E100N84-D97 WeakPolarHBondContact O-CA 3.3Å; Y86-D97 WeakPolarHBondContact CE2-OD2 3.02Å; D97-Q99 PolarHBondContact O-N 3.34Å; D97-Q99 VanDerWaalsContact O-N 3.12Å; D97-Q99 WeakPolarHBondContact OD1-CB 3.48Å; D97-Q99 WeakPolarHBondContact OD1-CG 3.29Å; D97-Q99 PolarHBondContact OD1-N 3.08Å; D97-E100 HydrophobicContact CB-CG 4.19Å; D97-E100 WeakPolarHBondContact O-CB 3.39Å; D97-E100 PolarHBondContact O-N 3.34Å
98C98.5Very high97Very high0 Ų057.7 Ų57.70%030%0.303CS..G310 helixtrans-58.3-25.5178.7-64.30000112.9Y72 C83 N84 D85 E100 L101Y72-C98 HydrophobicContact CD1-CB 3.77Å; Y72-C98 HydrophobicContact CD2-CB 3.7Å; Y72-C98 HydrophobicContact CE1-CB 3.74Å; Y72-C98 HydrophobicContact CE2-CB 3.64Å; Y72-C98 HydrophobicContact CG-CB 3.77Å; C83-C98 HydrophobicContact CB-CB 3.97Å; C83-C98 WeakPolarHBondContact CB-SG 3.07Å; C83-C98 PolarHBondContact O-SG 2.89Å; C83-C98 VanDerWaalsContact O-SG 3.36Å; C83-C98 WeakPolarHBondContact SG-CA 3.25Å; C83-C98 WeakPolarHBondContact SG-CB 3.1Å; C83-C98 CovalentContact SG-SG 2.04Å; C83-C98 PolarHBondContact SG-SG 2.78Å; N84-C98 PolarHBondContact O-N 3.45Å; D85-C98 HydrophobicContact CB-CB 4.03Å; D85-C98 PolarHBondContact N-SG 3.49Å; D85-C98 VanDerWaalsContact N-SG 3.44Å; C98-E100 VanDerWaalsContact C-N 3.31Å; C98-E100 PolarHBondContact O-N 3.36Å; C98-L101 WeakPolarHBondContact O-CB 3.37Å; C98-L101 PolarHBondContact O-N 3.18Å
99Q97.9Very high97.5Very high107 Ų10756.5 Ų56.550%0.530%0.295SS..G310 helixtrans-66.3-31.2175.8-62.7-62-8.900113.1D97 L101 L102D97-Q99 PolarHBondContact O-N 3.34Å; D97-Q99 VanDerWaalsContact O-N 3.12Å; D97-Q99 WeakPolarHBondContact OD1-CB 3.48Å; D97-Q99 WeakPolarHBondContact OD1-CG 3.29Å; D97-Q99 PolarHBondContact OD1-N 3.08Å; Q99-L101 PolarHBondContact O-N 2.92Å; Q99-L102 WeakPolarHBondContact O-CB 3.16Å; Q99-L102 PolarHBondContact O-N 3.13Å; Q99-L102 VanDerWaalsContact O-N 3.09Å
100E98.3Very high97.8Very high108 Ų10849.8 Ų49.851%0.50526%0.264SS..G310 helixtrans-66.3-23175.7-65.5-68.7167.100111.7V96 D97 C98 L102 S103 A108V96-E100 HydrophobicContact CG2-CB 3.87Å; V96-E100 HydrophobicContact CG2-CG 4.39Å; D97-E100 HydrophobicContact CB-CG 4.19Å; D97-E100 WeakPolarHBondContact O-CB 3.39Å; D97-E100 PolarHBondContact O-N 3.34Å; C98-E100 VanDerWaalsContact C-N 3.31Å; C98-E100 PolarHBondContact O-N 3.36Å; E100-L102 PolarHBondContact O-N 2.64Å; E100-S103 WeakPolarHBondContact O-CB 3.36Å; E100-S103 PolarHBondContact O-N 3.39Å; E100-A108 HydrophobicContact CB-CB 4.17Å
101L98.6Very high97.9Very high1 Ų152.7 Ų52.71%0.00528%0.278CS..G310 helixtrans-74.4-11.9176.4-50.9-174.2000113.1I77 C83 V96 C98 Q99 A108 I109I77-L101 HydrophobicContact CB-CD1 3.93Å; I77-L101 HydrophobicContact CD1-CD1 4.5Å; I77-L101 HydrophobicContact CG2-CD1 3.85Å; C83-L101 HydrophobicContact CB-CD1 3.81Å; V96-L101 HydrophobicContact CG1-CD2 3.95Å; V96-L101 HydrophobicContact CG1-CG 4.42Å; V96-L101 HydrophobicContact CG2-CD2 4.31Å; C98-L101 WeakPolarHBondContact O-CB 3.37Å; C98-L101 PolarHBondContact O-N 3.18Å; Q99-L101 PolarHBondContact O-N 2.92Å; L101-A108 HydrophobicContact CD2-CB 4.23Å; L101-I109 HydrophobicContact CB-CB 4.35Å; L101-I109 HydrophobicContact CB-CD1 4.37Å; L101-I109 HydrophobicContact CB-CG1 4.19Å; L101-I109 HydrophobicContact CD2-CB 4.09Å; L101-I109 HydrophobicContact CD2-CG1 4.23Å
102L98.1Very high98Very high28 Ų2847.7 Ų47.715%0.14726%0.255CS..G310 helixtrans-95.11.6174.8-51.5-176.4000112.3V62 Y72 Q99 E100V62-L102 HydrophobicContact CG2-CD1 3.75Å; V62-L102 HydrophobicContact CG2-CD2 3.88Å; V62-L102 HydrophobicContact CG2-CG 4.48Å; Y72-L102 HydrophobicContact CD1-CD1 4.19Å; Y72-L102 HydrophobicContact CD1-CD2 4.04Å; Y72-L102 HydrophobicContact CD1-CG 4.18Å; Q99-L102 WeakPolarHBondContact O-CB 3.16Å; Q99-L102 PolarHBondContact O-N 3.13Å; Q99-L102 VanDerWaalsContact O-N 3.09Å; E100-L102 PolarHBondContact O-N 2.64Å
103S96.2Very high98Very high33 Ų3345.7 Ų45.723%0.23124%0.244CC..SBendtrans-65.8140.9-179.2-176.10000111.6I59 E100 N105I59-S103 VanDerWaalsContact CG2-O 3.27Å; I59-S103 WeakPolarHBondContact CG2-O 3.37Å; E100-S103 WeakPolarHBondContact O-CB 3.36Å; E100-S103 PolarHBondContact O-N 3.39Å; S103-N105 PolarHBondContact O-N 3.18Å; S103-N105 PolarHBondContact OG-N 3.11Å
104P94.3Very high98Very high68 Ų6844.8 Ų44.844%0.44224%0.238SC..SBendtrans-63.5-21.4169.529.5-37.4000111.9Q18 L106Q18-P104 VanDerWaalsContact OE1-CG 3.29Å; P104-L106 PolarHBondContact O-N 3.09Å
105N95.9Very high98.1Very high90 Ų9048.7 Ų48.748%0.48125%0.252SS..SBendtrans-80.1104.5166-177.2-14.5000109S103 L107S103-N105 PolarHBondContact O-N 3.18Å; S103-N105 PolarHBondContact OG-N 3.11Å; N105-L107 PolarHBondContact O-N 3.48Å; N105-L107 VanDerWaalsContact O-N 3.13Å; N105-L107 WeakPolarHBondContact OD1-CB 3.11Å; N105-L107 WeakPolarHBondContact OD1-CD1 3.32Å; N105-L107 WeakPolarHBondContact OD1-CG 3.39Å; N105-L107 PolarHBondContact OD1-N 2.67Å
106L98.1Very high98.1Very high7 Ų740.8 Ų40.84%0.03722%0.215CC..THydrogen-bonded Turntrans-74.72-172.4-56.5-176.1000114.6I22 L27 V30 I59 I74 P104 A108 I109 I110I22-L106 HydrophobicContact CD1-CD1 3.91Å; L27-L106 HydrophobicContact CD1-CD1 3.59Å; V30-L106 HydrophobicContact CG1-CB 4.29Å; V30-L106 HydrophobicContact CG1-CD1 4.2Å; I59-L106 HydrophobicContact CD1-CD2 4.24Å; I59-L106 HydrophobicContact CG1-CD2 4.04Å; I59-L106 HydrophobicContact CG2-CD2 3.76Å; I74-L106 HydrophobicContact CG2-CD2 4.47Å; P104-L106 PolarHBondContact O-N 3.09Å; L106-A108 PolarHBondContact O-N 3.04Å; L106-I109 HydrophobicContact CB-CG2 4.21Å; L106-I109 HydrophobicContact CD2-CG2 4.31Å; L106-I109 WeakPolarHBondContact O-CG2 3.46Å; L106-I109 PolarHBondContact O-N 2.87Å; L106-I110 HydrophobicContact CB-CD1 3.7Å; L106-I110 HydrophobicContact CB-CG1 4.2Å; L106-I110 WeakPolarHBondContact O-CB 3.38Å; L106-I110 WeakPolarHBondContact O-CD1 2.99Å; L106-I110 WeakPolarHBondContact O-CG1 3.47Å; L106-I110 PolarHBondContact O-N 2.95Å
107L98.5Very high98.1Very high65 Ų6539.7 Ų39.734%0.3421%0.208SC..Hα-helixtrans-57.2-45.3-176.5-73.1176.5000113.3E34 N105 I109 I110 N111E34-L107 HydrophobicContact CG-CD2 4.06Å; E34-L107 VanDerWaalsContact OE1-CD2 3.3Å; E34-L107 WeakPolarHBondContact OE1-CD2 3.47Å; E34-L107 WeakPolarHBondContact OE2-CD2 3.46Å; N105-L107 PolarHBondContact O-N 3.48Å; N105-L107 VanDerWaalsContact O-N 3.13Å; N105-L107 WeakPolarHBondContact OD1-CB 3.11Å; N105-L107 WeakPolarHBondContact OD1-CD1 3.32Å; N105-L107 WeakPolarHBondContact OD1-CG 3.39Å; N105-L107 PolarHBondContact OD1-N 2.67Å; L107-I109 PolarHBondContact O-N 2.79Å; L107-I110 PolarHBondContact O-N 3.12Å; L107-N111 WeakPolarHBondContact O-CB 3.43Å; L107-N111 VanDerWaalsContact O-CG 3.23Å; L107-N111 PolarHBondContact O-N 3.12Å; L107-N111 PolarHBondContact O-ND2 3.12Å
108A98.6Very high98.1Very high28 Ų2840.2 Ų40.223%0.23122%0.217CC..Hα-helixtrans-62.1-47-178.200000111.5V96 E100 L101 L106 C112V96-A108 HydrophobicContact CG2-CB 4.42Å; E100-A108 HydrophobicContact CB-CB 4.17Å; L101-A108 HydrophobicContact CD2-CB 4.23Å; L106-A108 PolarHBondContact O-N 3.04Å; A108-C112 PolarHBondContact O-N 3.38Å; A108-C112 VanDerWaalsContact O-N 3.08Å
109I98.8Very high98Very high2 Ų242 Ų421%0.0124%0.235CC..Hα-helixtrans-72.4-34.5-179.2-155.2-177.7000112.5I74 F75 I77 L101 L106 L107 A113I74-I109 HydrophobicContact CG2-CD1 3.82Å; I74-I109 HydrophobicContact CG2-CG2 3.98Å; F75-I109 HydrophobicContact CB-CD1 4.09Å; F75-I109 HydrophobicContact CB-CG1 4.49Å; F75-I109 HydrophobicContact CD2-CD1 4.15Å; F75-I109 HydrophobicContact CD2-CG1 4.01Å; F75-I109 HydrophobicContact CD2-CG2 4.33Å; F75-I109 HydrophobicContact CE2-CG2 4.44Å; F75-I109 HydrophobicContact CG-CD1 4.4Å; I77-I109 HydrophobicContact CD1-CD1 4.37Å; I77-I109 HydrophobicContact CD1-CG1 3.54Å; I77-I109 HydrophobicContact CG1-CD1 4.47Å; I77-I109 HydrophobicContact CG1-CG1 4.14Å; L101-I109 HydrophobicContact CB-CB 4.35Å; L101-I109 HydrophobicContact CB-CD1 4.37Å; L101-I109 HydrophobicContact CB-CG1 4.19Å; L101-I109 HydrophobicContact CD2-CB 4.09Å; L101-I109 HydrophobicContact CD2-CG1 4.23Å; L106-I109 HydrophobicContact CB-CG2 4.21Å; L106-I109 HydrophobicContact CD2-CG2 4.31Å; L106-I109 WeakPolarHBondContact O-CG2 3.46Å; L106-I109 PolarHBondContact O-N 2.87Å; L107-I109 PolarHBondContact O-N 2.79Å; I109-A113 VanDerWaalsContact O-CB 3.3Å; I109-A113 WeakPolarHBondContact O-CB 3.34Å; I109-A113 PolarHBondContact O-N 3.28Å
110I98.9Very high97.8Very high0 Ų041.4 Ų41.40%025%0.248CC..Hα-helixtrans-65.5-46174.2-71.4167000110.7V30 L31 E34 L36 F75 L106 L107 C112 A113 K114V30-I110 HydrophobicContact CG1-CD1 3.86Å; L31-I110 HydrophobicContact CD2-CD1 3.91Å; L31-I110 HydrophobicContact CD2-CG1 4.02Å; E34-I110 HydrophobicContact CB-CD1 4.16Å; E34-I110 HydrophobicContact CB-CG2 3.96Å; E34-I110 HydrophobicContact CG-CD1 3.88Å; L36-I110 HydrophobicContact CD1-CG2 4.22Å; L36-I110 HydrophobicContact CD2-CG2 4.15Å; L36-I110 HydrophobicContact CG-CG2 4.22Å; F75-I110 HydrophobicContact CE2-CG1 4.16Å; L106-I110 HydrophobicContact CB-CD1 3.7Å; L106-I110 HydrophobicContact CB-CG1 4.2Å; L106-I110 WeakPolarHBondContact O-CB 3.38Å; L106-I110 WeakPolarHBondContact O-CD1 2.99Å; L106-I110 WeakPolarHBondContact O-CG1 3.47Å; L106-I110 PolarHBondContact O-N 2.95Å; L107-I110 PolarHBondContact O-N 3.12Å; I110-C112 VanDerWaalsContact C-N 3.33Å; I110-C112 PolarHBondContact O-N 2.8Å; I110-A113 PolarHBondContact O-N 2.86Å; I110-K114 WeakPolarHBondContact O-CG 3.29Å; I110-K114 PolarHBondContact O-N 2.94Å
111N98.8Very high97.6Very high88 Ų8838.5 Ų38.547%0.47125%0.247SC..Hα-helixtrans-62.9-40.8178.7-74.7-27.9000112.1L107 K114 K115L107-N111 WeakPolarHBondContact O-CB 3.43Å; L107-N111 VanDerWaalsContact O-CG 3.23Å; L107-N111 PolarHBondContact O-N 3.12Å; L107-N111 PolarHBondContact O-ND2 3.12Å; N111-K114 PolarHBondContact O-N 3.46Å; N111-K115 PolarHBondContact O-N 2.9Å; N111-K115 VanDerWaalsContact O-N 3.16Å
112C98.8Very high97.6Very high4 Ų438.8 Ų38.83%0.02725%0.25CS..Hα-helixtrans-65.8-43.3174.9-171.90000111.3I77 C94 A108 I110 K114 K115 I116I77-C112 HydrophobicContact CD1-CB 3.76Å; C94-C112 HydrophobicContact CB-CB 3.7Å; C94-C112 WeakPolarHBondContact CB-SG 3.37Å; C94-C112 WeakPolarHBondContact SG-CA 3.18Å; C94-C112 WeakPolarHBondContact SG-CB 3.33Å; C94-C112 CovalentContact SG-SG 2.03Å; C94-C112 PolarHBondContact SG-SG 3.07Å; A108-C112 PolarHBondContact O-N 3.38Å; A108-C112 VanDerWaalsContact O-N 3.08Å; I110-C112 VanDerWaalsContact C-N 3.33Å; I110-C112 PolarHBondContact O-N 2.8Å; C112-K114 PolarHBondContact O-N 3.15Å; C112-K115 WeakPolarHBondContact O-CB 3.15Å; C112-K115 PolarHBondContact O-N 2.73Å; C112-K115 VanDerWaalsContact O-N 3.09Å; C112-I116 WeakPolarHBondContact O-CG1 3.32Å; C112-I116 PolarHBondContact O-N 3.22Å
113A98.8Very high97.6Very high0 Ų037.4 Ų37.40%024%0.243CC..Hα-helixtrans-62-39.3176.300000113.1W47 F75 I77 I109 I110 K115 I116 V117 W126W47-A113 HydrophobicContact CH2-CB 4.35Å; W47-A113 HydrophobicContact CZ3-CB 3.93Å; F75-A113 HydrophobicContact CD2-CB 3.71Å; F75-A113 HydrophobicContact CE2-CB 4.05Å; I77-A113 HydrophobicContact CD1-CB 4.49Å; I109-A113 VanDerWaalsContact O-CB 3.3Å; I109-A113 WeakPolarHBondContact O-CB 3.34Å; I109-A113 PolarHBondContact O-N 3.28Å; I110-A113 PolarHBondContact O-N 2.86Å; A113-K115 VanDerWaalsContact C-N 3.32Å; A113-K115 PolarHBondContact O-N 3.34Å; A113-I116 PolarHBondContact O-N 3.28Å; A113-V117 WeakPolarHBondContact O-CG2 3.46Å; A113-V117 PolarHBondContact O-N 2.93Å; A113-W126 HydrophobicContact CB-CH2 4.35Å
114K98.8Very high97.6Very high38 Ų3841.6 Ų41.617%0.16526%0.257CS..Hα-helixtrans-55.6-47170.6-76.6-179.7175.4176.80111.1E34 L36 F39 I110 N111 C112 I116 V117 S118E34-K114 WeakPolarHBondContact O-CE 3.5Å; E34-K114 PolarHBondContact O-NZ 2.04Å; L36-K114 HydrophobicContact CD2-CD 3.99Å; L36-K114 HydrophobicContact CD2-CG 3.63Å; F39-K114 HydrophobicContact CD1-CG 4.27Å; F39-K114 HydrophobicContact CD2-CG 4.48Å; F39-K114 HydrophobicContact CE1-CB 3.85Å; F39-K114 HydrophobicContact CE1-CG 3.86Å; F39-K114 HydrophobicContact CE2-CB 4.44Å; F39-K114 HydrophobicContact CE2-CD 4.14Å; F39-K114 HydrophobicContact CE2-CG 4.1Å; F39-K114 HydrophobicContact CZ-CB 3.71Å; F39-K114 HydrophobicContact CZ-CD 4.24Å; F39-K114 HydrophobicContact CZ-CG 3.78Å; I110-K114 WeakPolarHBondContact O-CG 3.29Å; I110-K114 PolarHBondContact O-N 2.94Å; N111-K114 PolarHBondContact O-N 3.46Å; C112-K114 PolarHBondContact O-N 3.15Å; K114-I116 VanDerWaalsContact C-N 3.34Å; K114-I116 PolarHBondContact O-N 3.08Å; K114-V117 PolarHBondContact O-N 3.17Å; K114-S118 PolarHBondContact O-N 3.25Å; K114-S118 PolarHBondContact O-OG 3.36Å
115K98.6Very high97.8Very high106 Ų10642.3 Ų42.346%0.46126%0.257SS..Hα-helixtrans-60.7-41.3178.4-173169.5-175.7163.90112.6N93 N111 C112 A113 G119N93-K115 VanDerWaalsContact O-CE 3.25Å; N93-K115 WeakPolarHBondContact O-CE 3.36Å; N93-K115 PolarHBondContact O-NZ 2.93Å; N111-K115 PolarHBondContact O-N 2.9Å; N111-K115 VanDerWaalsContact O-N 3.16Å; C112-K115 WeakPolarHBondContact O-CB 3.15Å; C112-K115 PolarHBondContact O-N 2.73Å; C112-K115 VanDerWaalsContact O-N 3.09Å; A113-K115 VanDerWaalsContact C-N 3.32Å; A113-K115 PolarHBondContact O-N 3.34Å; K115-G119 PolarHBondContact O-N 3.23Å
116I98.5Very high97.9Very high3 Ų338.9 Ų38.92%0.01524%0.237CC..Hα-helixtrans-63.4-46.9175.8-60.1169.2000110.3I77 W82 C112 A113 K114 G119 N125 W126I77-I116 HydrophobicContact CD1-CD1 4.13Å; I77-I116 HydrophobicContact CG1-CD1 4.2Å; I77-I116 HydrophobicContact CG2-CD1 4.37Å; W82-I116 HydrophobicContact CD2-CD1 3.78Å; W82-I116 HydrophobicContact CD2-CG1 3.55Å; W82-I116 HydrophobicContact CE3-CD1 4.24Å; W82-I116 HydrophobicContact CE3-CG1 3.56Å; W82-I116 HydrophobicContact CG-CD1 3.99Å; W82-I116 HydrophobicContact CG-CG1 4.29Å; W82-I116 HydrophobicContact CH2-CB 4.16Å; W82-I116 HydrophobicContact CH2-CG1 3.68Å; W82-I116 HydrophobicContact CH2-CG2 4.26Å; W82-I116 HydrophobicContact CZ2-CB 4.23Å; W82-I116 HydrophobicContact CZ2-CD1 4.37Å; W82-I116 HydrophobicContact CZ2-CG1 3.66Å; W82-I116 HydrophobicContact CZ2-CG2 3.95Å; W82-I116 HydrophobicContact CZ3-CB 4.43Å; W82-I116 HydrophobicContact CZ3-CG1 3.62Å; C112-I116 WeakPolarHBondContact O-CG1 3.32Å; C112-I116 PolarHBondContact O-N 3.22Å; A113-I116 PolarHBondContact O-N 3.28Å; K114-I116 VanDerWaalsContact C-N 3.34Å; K114-I116 PolarHBondContact O-N 3.08Å; I116-G119 PolarHBondContact O-N 3.44Å; I116-G119 VanDerWaalsContact O-N 3.07Å; I116-N125 HydrophobicContact CG2-CB 4.1Å; I116-W126 HydrophobicContact CB-CH2 3.58Å; I116-W126 HydrophobicContact CB-CZ2 4.4Å; I116-W126 HydrophobicContact CB-CZ3 4.07Å; I116-W126 HydrophobicContact CD1-CH2 3.78Å; I116-W126 HydrophobicContact CD1-CZ2 3.7Å; I116-W126 HydrophobicContact CG1-CH2 4.25Å; I116-W126 HydrophobicContact CG2-CE3 4.33Å; I116-W126 HydrophobicContact CG2-CH2 3.38Å; I116-W126 HydrophobicContact CG2-CZ2 4.17Å; I116-W126 HydrophobicContact CG2-CZ3 3.44Å; I116-W126 VanDerWaalsContact CG2-CZ3 3.44Å
117V98.4Very high97.9Very high4 Ų442.2 Ų42.22%0.02426%0.258CS..Hα-helixtrans-71-31.7-175.5172.80000113F39 E40 Y42 W47 A113 K114 G119 G122 M123 W126F39-V117 HydrophobicContact CD1-CG1 4.27Å; F39-V117 HydrophobicContact CE1-CB 4.37Å; F39-V117 HydrophobicContact CE1-CG1 4.33Å; E40-V117 HydrophobicContact CB-CG1 3.73Å; E40-V117 HydrophobicContact CG-CG1 4.02Å; Y42-V117 HydrophobicContact CD2-CG1 3.62Å; Y42-V117 HydrophobicContact CE2-CG1 3.61Å; W47-V117 HydrophobicContact CH2-CB 4.13Å; W47-V117 HydrophobicContact CH2-CG2 3.48Å; W47-V117 VanDerWaalsContact CH2-CG2 3.48Å; W47-V117 HydrophobicContact CZ2-CG1 4.44Å; W47-V117 HydrophobicContact CZ2-CG2 4.14Å; W47-V117 HydrophobicContact CZ3-CG2 4.21Å; A113-V117 WeakPolarHBondContact O-CG2 3.46Å; A113-V117 PolarHBondContact O-N 2.93Å; K114-V117 PolarHBondContact O-N 3.17Å; V117-G119 PolarHBondContact O-N 3.27Å; V117-G122 VanDerWaalsContact O-CA 3.29Å; V117-G122 WeakPolarHBondContact O-CA 3.49Å; V117-M123 HydrophobicContact CG2-CB 4.46Å; V117-W126 HydrophobicContact CG2-CH2 4.02Å; V117-W126 HydrophobicContact CG2-CZ3 3.6Å
118S98.4Very high97.9Very high65 Ų6542.6 Ų42.646%0.45526%0.257SS..THydrogen-bonded Turntrans-72.2-10.9170.6-66.10000113.3F39 E40 K114F39-S118 WeakPolarHBondContact CZ-OG 3.09Å; E40-S118 WeakPolarHBondContact OE1-CB 3.16Å; E40-S118 PolarHBondContact OE1-OG 3.17Å; K114-S118 PolarHBondContact O-N 3.25Å; K114-S118 PolarHBondContact O-OG 3.36Å
119G96.6Very high97.9Very high37 Ų3741.8 Ų41.838%0.38125%0.248SC..SBendtrans-80.7179.1175.600000113.9K115 I116 V117 G121 G122K115-G119 PolarHBondContact O-N 3.23Å; I116-G119 PolarHBondContact O-N 3.44Å; I116-G119 VanDerWaalsContact O-N 3.07Å; V117-G119 PolarHBondContact O-N 3.27Å; G119-G121 PolarHBondContact O-N 3.2Å; G119-G122 PolarHBondContact O-N 2.99Å
120A94.1Very high97.9Very high94 Ų9447.6 Ų47.678%0.77727%0.27SS*.THydrogen-bonded Turntrans-59.2132.717500000111G122 N125A120-G122 VanDerWaalsContact C-N 3.31Å; A120-G122 PolarHBondContact O-N 2.64Å; A120-N125 PolarHBondContact O-ND2 2.95Å
121G94.8Very high97.8Very high47 Ų4752.2 Ų52.249%0.48529%0.294SS..THydrogen-bonded Turntrans88.4-18179.200000115.2G119 M123 K124G119-G121 PolarHBondContact O-N 3.2Å; G121-M123 PolarHBondContact O-N 2.82Å; G121-K124 WeakPolarHBondContact O-CB 3.47Å; G121-K124 WeakPolarHBondContact O-CG 3.17Å; G121-K124 PolarHBondContact O-N 2.79Å; G121-K124 VanDerWaalsContact O-N 3.07Å
122G97.6Very high97.8Very high7 Ų752.9 Ų52.97%0.07229%0.294CS..G310 helixtrans53.4-133.8179.500000113.1V117 G119 A120 K124 N125V117-G122 VanDerWaalsContact O-CA 3.29Å; V117-G122 WeakPolarHBondContact O-CA 3.49Å; G119-G122 PolarHBondContact O-N 2.99Å; A120-G122 VanDerWaalsContact C-N 3.31Å; A120-G122 PolarHBondContact O-N 2.64Å; G122-K124 PolarHBondContact O-N 2.97Å; G122-K124 VanDerWaalsContact O-N 3.13Å; G122-N125 PolarHBondContact O-N 3.01Å; G122-N125 PolarHBondContact O-ND2 3.17Å
123M98.2Very high97.8Very high0 Ų052.7 Ų52.70%029%0.293CS..G310 helixtrans-68.4-10.9179.7-149.5170.4-135.900113.6Y42 D46 W47 L50 V117 G121 N125 W126 W129Y42-M123 HydrophobicContact CD1-CB 3.93Å; Y42-M123 HydrophobicContact CD1-SD 3.75Å; Y42-M123 HydrophobicContact CD2-CB 4.45Å; Y42-M123 HydrophobicContact CE1-CB 3.5Å; Y42-M123 HydrophobicContact CE1-SD 4.25Å; Y42-M123 HydrophobicContact CE2-CB 4.1Å; Y42-M123 HydrophobicContact CG-CB 4.38Å; Y42-M123 HydrophobicContact CG-SD 4.07Å; Y42-M123 PolarHBondContact OH-N 3.37Å; D46-M123 HydrophobicContact CB-CE 4.31Å; D46-M123 HydrophobicContact CB-SD 3.83Å; W47-M123 HydrophobicContact CB-CE 4.38Å; W47-M123 HydrophobicContact CD2-CE 3.33Å; W47-M123 HydrophobicContact CE3-CE 3.26Å; W47-M123 HydrophobicContact CG-CE 3.87Å; W47-M123 HydrophobicContact CH2-CE 4.16Å; W47-M123 HydrophobicContact CZ2-CE 4.2Å; W47-M123 HydrophobicContact CZ3-CE 3.69Å; L50-M123 HydrophobicContact CB-CE 4Å; L50-M123 HydrophobicContact CD2-CE 3.65Å; L50-M123 HydrophobicContact CD2-CG 4.46Å; L50-M123 HydrophobicContact CG-CE 4.44Å; V117-M123 HydrophobicContact CG2-CB 4.46Å; G121-M123 PolarHBondContact O-N 2.82Å; M123-N125 PolarHBondContact O-N 2.84Å; M123-W126 HydrophobicContact CG-CE3 4.19Å; M123-W126 PolarHBondContact O-N 3.27Å; M123-W126 VanDerWaalsContact O-N 3.17Å; M123-W129 HydrophobicContact CB-CD2 4.07Å; M123-W129 HydrophobicContact CB-CE3 3.93Å; M123-W129 HydrophobicContact CB-CH2 4.09Å; M123-W129 HydrophobicContact CB-CZ2 4.2Å; M123-W129 HydrophobicContact CB-CZ3 3.94Å; M123-W129 HydrophobicContact CG-CD2 3.64Å; M123-W129 HydrophobicContact CG-CE3 3.99Å; M123-W129 HydrophobicContact CG-CG 3.95Å; M123-W129 HydrophobicContact CG-CZ2 4.23Å; M123-W129 HydrophobicContact CG-CZ3 4.43Å; M123-W129 VanDerWaalsContact O-CE3 3.31Å; M123-W129 HydrophobicContact SD-CD2 3.87Å; M123-W129 HydrophobicContact SD-CG 4.16Å; M123-W129 HydrophobicContact SD-CH2 4.49Å; M123-W129 HydrophobicContact SD-CZ2 3.7Å; M123-W129 PolarHBondContact SD-NE1 3.1Å
124K97.2Very high97.8Very high121 Ų12154.4 Ų54.453%0.52631%0.307SS..G310 helixtrans-70.2-10.7176.2-57.4172.4-178.7171.10113.3G121 G122 W126 W129 R130G121-K124 WeakPolarHBondContact O-CB 3.47Å; G121-K124 WeakPolarHBondContact O-CG 3.17Å; G121-K124 PolarHBondContact O-N 2.79Å; G121-K124 VanDerWaalsContact O-N 3.07Å; G122-K124 PolarHBondContact O-N 2.97Å; G122-K124 VanDerWaalsContact O-N 3.13Å; K124-W126 PolarHBondContact O-N 3.11Å; K124-W129 HydrophobicContact CG-CZ3 4.1Å; K124-R130 PolarHBondContact O-NH1 2.76Å
125N97.1Very high97.7Very high83 Ų8357 Ų5744%0.44434%0.344SS..G310 helixtrans-62.6-27.3170.4-73-53.8000111.8I116 A120 G122 M123 V127I116-N125 HydrophobicContact CG2-CB 4.1Å; A120-N125 PolarHBondContact O-ND2 2.95Å; G122-N125 PolarHBondContact O-N 3.01Å; G122-N125 PolarHBondContact O-ND2 3.17Å; M123-N125 PolarHBondContact O-N 2.84Å; N125-V127 PolarHBondContact O-N 2.98Å
126W98.4Very high97.6Very high17 Ų1758.7 Ų58.76%0.06435%0.348CS..SBendtrans-84.9108.5170.4-71.1-90.7000111.2L50 F75 A113 I116 V117 M123 K124 K128 W129 R130L50-W126 HydrophobicContact CD1-CB 3.57Å; L50-W126 HydrophobicContact CD1-CD2 3.96Å; L50-W126 HydrophobicContact CD1-CG 3.39Å; L50-W126 HydrophobicContact CD2-CD2 4.05Å; L50-W126 HydrophobicContact CD2-CE3 4.4Å; L50-W126 HydrophobicContact CD2-CG 4.36Å; L50-W126 HydrophobicContact CD2-CZ2 4.35Å; F75-W126 PolarHBondContact O-NE1 3.2Å; A113-W126 HydrophobicContact CB-CH2 4.35Å; I116-W126 HydrophobicContact CB-CH2 3.58Å; I116-W126 HydrophobicContact CB-CZ2 4.4Å; I116-W126 HydrophobicContact CB-CZ3 4.07Å; I116-W126 HydrophobicContact CD1-CH2 3.78Å; I116-W126 HydrophobicContact CD1-CZ2 3.7Å; I116-W126 HydrophobicContact CG1-CH2 4.25Å; I116-W126 HydrophobicContact CG2-CE3 4.33Å; I116-W126 HydrophobicContact CG2-CH2 3.38Å; I116-W126 HydrophobicContact CG2-CZ2 4.17Å; I116-W126 HydrophobicContact CG2-CZ3 3.44Å; I116-W126 VanDerWaalsContact CG2-CZ3 3.44Å; V117-W126 HydrophobicContact CG2-CH2 4.02Å; V117-W126 HydrophobicContact CG2-CZ3 3.6Å; M123-W126 HydrophobicContact CG-CE3 4.19Å; M123-W126 PolarHBondContact O-N 3.27Å; M123-W126 VanDerWaalsContact O-N 3.17Å; K124-W126 PolarHBondContact O-N 3.11Å; W126-K128 VanDerWaalsContact C-N 3.34Å; W126-K128 PolarHBondContact O-N 2.8Å; W126-W129 HydrophobicContact CB-CB 3.82Å; W126-W129 PolarHBondContact O-N 3.3Å; W126-R130 PolarHBondContact O-N 2.72Å
127V97.9Very high97.5Very high78 Ų7863.8 Ų63.847%0.47338%0.381SS..Hα-helixtrans-60.6-42.9-177.7177.10000111.3N125 R130 L131N125-V127 PolarHBondContact O-N 2.98Å; V127-R130 WeakPolarHBondContact O-CB 3.33Å; V127-R130 PolarHBondContact O-N 3.44Å; V127-L131 HydrophobicContact CG1-CD1 3.98Å; V127-L131 HydrophobicContact CG1-CG 4.5Å; V127-L131 WeakPolarHBondContact O-CG 3.2Å; V127-L131 PolarHBondContact O-N 3.44Å; V127-L131 VanDerWaalsContact O-N 3.11Å
128K98.2Very high97.5Very high73 Ų7364.1 Ų64.132%0.31738%0.382SS..Hα-helixtrans-67.4-40.2-179.6-60-172-164.8133.20111.6V53 E54 W126 R130 L131 H132V53-K128 HydrophobicContact CB-CB 4.22Å; V53-K128 HydrophobicContact CG2-CB 3.8Å; V53-K128 WeakPolarHBondContact O-CD 3.33Å; E54-K128 WeakPolarHBondContact OE1-CB 3.27Å; E54-K128 WeakPolarHBondContact OE2-CD 3.49Å; E54-K128 WeakPolarHBondContact OE2-CE 3.43Å; E54-K128 IonicContact OE2-NZ 2.78Å; E54-K128 PolarHBondContact OE2-NZ 3.31Å; W126-K128 VanDerWaalsContact C-N 3.34Å; W126-K128 PolarHBondContact O-N 2.8Å; K128-R130 VanDerWaalsContact C-N 3.31Å; K128-R130 PolarHBondContact O-N 3.36Å; K128-L131 PolarHBondContact O-N 2.8Å; K128-L131 VanDerWaalsContact O-N 3.16Å; K128-H132 WeakPolarHBondContact O-CB 3.34Å; K128-H132 PolarHBondContact O-CD2 2.94Å; K128-H132 VanDerWaalsContact O-CD2 3.25Å; K128-H132 PolarHBondContact O-N 2.98Å
129W98.7Very high97.4Very high11 Ų1165.4 Ų65.44%0.04239%0.392CS..Hα-helixtrans-59-43.1173.5-179.289.7000111.8Y42 D46 L50 M123 K124 W126 L131 H132 C133 A134Y42-W129 HydrophobicContact CD1-CH2 4.22Å; Y42-W129 HydrophobicContact CD1-CZ2 4.03Å; Y42-W129 AromaticContact CE1-CH2 3.66Å; Y42-W129 HydrophobicContact CE1-CH2 3.66Å; Y42-W129 AromaticContact CE1-CZ2 3.95Å; Y42-W129 HydrophobicContact CE1-CZ2 3.95Å; Y42-W129 HydrophobicContact CE1-CZ3 4.45Å; D46-W129 HydrophobicContact CB-CZ2 4.33Å; D46-W129 PolarHBondContact O-NE1 2.82Å; D46-W129 WeakPolarHBondContact OD1-CZ2 2.99Å; L50-W129 HydrophobicContact CB-CG 4.44Å; L50-W129 HydrophobicContact CD1-CB 3.77Å; L50-W129 HydrophobicContact CD1-CG 4.38Å; M123-W129 HydrophobicContact CB-CD2 4.07Å; M123-W129 HydrophobicContact CB-CE3 3.93Å; M123-W129 HydrophobicContact CB-CH2 4.09Å; M123-W129 HydrophobicContact CB-CZ2 4.2Å; M123-W129 HydrophobicContact CB-CZ3 3.94Å; M123-W129 HydrophobicContact CG-CD2 3.64Å; M123-W129 HydrophobicContact CG-CE3 3.99Å; M123-W129 HydrophobicContact CG-CG 3.95Å; M123-W129 HydrophobicContact CG-CZ2 4.23Å; M123-W129 HydrophobicContact CG-CZ3 4.43Å; M123-W129 VanDerWaalsContact O-CE3 3.31Å; M123-W129 HydrophobicContact SD-CD2 3.87Å; M123-W129 HydrophobicContact SD-CG 4.16Å; M123-W129 HydrophobicContact SD-CH2 4.49Å; M123-W129 HydrophobicContact SD-CZ2 3.7Å; M123-W129 PolarHBondContact SD-NE1 3.1Å; K124-W129 HydrophobicContact CG-CZ3 4.1Å; W126-W129 HydrophobicContact CB-CB 3.82Å; W126-W129 PolarHBondContact O-N 3.3Å; W129-L131 VanDerWaalsContact C-N 3.28Å; W129-L131 PolarHBondContact O-N 2.93Å; W129-H132 PolarHBondContact O-N 2.85Å; W129-C133 HydrophobicContact CB-CB 4.5Å; W129-C133 VanDerWaalsContact CD1-SG 3.54Å; W129-C133 HydrophobicContact CD2-CB 4.16Å; W129-C133 HydrophobicContact CG-CB 3.78Å; W129-C133 WeakPolarHBondContact O-CA 3.39Å; W129-C133 VanDerWaalsContact O-CB 3.24Å; W129-C133 WeakPolarHBondContact O-CB 3.44Å; W129-C133 PolarHBondContact O-N 3.16Å; W129-A134 HydrophobicContact CE3-CB 4.08Å; W129-A134 HydrophobicContact CH2-CB 3.75Å; W129-A134 HydrophobicContact CZ2-CB 4.32Å; W129-A134 HydrophobicContact CZ3-CB 3.63Å; W129-A134 PolarHBondContact O-N 3.02Å
130R98.3Very high97.4Very high123 Ų12369.4 Ų69.446%0.46440%0.396SS..Hα-helixtrans-59.8-37.5176.2-174.4172.664.9-130.16.2112.9K124 W126 V127 K128K124-R130 PolarHBondContact O-NH1 2.76Å; W126-R130 PolarHBondContact O-N 2.72Å; V127-R130 WeakPolarHBondContact O-CB 3.33Å; V127-R130 PolarHBondContact O-N 3.44Å; K128-R130 VanDerWaalsContact C-N 3.31Å; K128-R130 PolarHBondContact O-N 3.36Å
131L98.4Very high97.6Very high97 Ų9765.7 Ų65.751%0.50836%0.362SS..Hα-helixtrans-81.2-35.4-178.1-66.7173.4000113.1V127 K128 W129 R136V127-L131 HydrophobicContact CG1-CD1 3.98Å; V127-L131 HydrophobicContact CG1-CG 4.5Å; V127-L131 WeakPolarHBondContact O-CG 3.2Å; V127-L131 PolarHBondContact O-N 3.44Å; V127-L131 VanDerWaalsContact O-N 3.11Å; K128-L131 PolarHBondContact O-N 2.8Å; K128-L131 VanDerWaalsContact O-N 3.16Å; W129-L131 VanDerWaalsContact C-N 3.28Å; W129-L131 PolarHBondContact O-N 2.93Å; L131-R136 PolarHBondContact O-NH2 3.1Å
132H98.4Very high97.7Very high102 Ų10265.7 Ų65.747%0.47235%0.35SS..Hα-helixtrans-116-10.4-165.7-62-71.8000114.8V53 K128 W129 R136V53-H132 HydrophobicContact CB-CB 4.46Å; V53-H132 HydrophobicContact CG1-CB 3.75Å; K128-H132 WeakPolarHBondContact O-CB 3.34Å; K128-H132 PolarHBondContact O-CD2 2.94Å; K128-H132 VanDerWaalsContact O-CD2 3.25Å; K128-H132 PolarHBondContact O-N 2.98Å; W129-H132 PolarHBondContact O-N 2.85Å; H132-R136 WeakPolarHBondContact O-CD 3.42Å; H132-R136 PolarHBondContact O-NE 2.84Å
133C98.5Very high97.7Very high0 Ų069.9 Ų69.90%037%0.374CS..THydrogen-bonded Turntrans-126.1-47.2-176.6-54.40000112.6C49 W129 G135 R136 L138C49-C133 VanDerWaalsContact C-SG 3.51Å; C49-C133 HydrophobicContact CB-CB 3.76Å; C49-C133 WeakPolarHBondContact CB-SG 3.4Å; C49-C133 VanDerWaalsContact SG-CA 3.57Å; C49-C133 WeakPolarHBondContact SG-CB 3.32Å; C49-C133 CovalentContact SG-SG 2.03Å; C49-C133 PolarHBondContact SG-SG 3.45Å; W129-C133 HydrophobicContact CB-CB 4.5Å; W129-C133 VanDerWaalsContact CD1-SG 3.54Å; W129-C133 HydrophobicContact CD2-CB 4.16Å; W129-C133 HydrophobicContact CG-CB 3.78Å; W129-C133 WeakPolarHBondContact O-CA 3.39Å; W129-C133 VanDerWaalsContact O-CB 3.24Å; W129-C133 WeakPolarHBondContact O-CB 3.44Å; W129-C133 PolarHBondContact O-N 3.16Å; C133-G135 PolarHBondContact O-N 3.09Å; C133-R136 WeakPolarHBondContact O-CB 3.43Å; C133-R136 PolarHBondContact O-N 2.97Å; C133-R136 VanDerWaalsContact O-N 3.1Å; C133-L138 HydrophobicContact CB-CD1 4.16Å
134A98.1Very high97.7Very high36 Ų3672.8 Ų72.830%0.29840%0.404SS..THydrogen-bonded Turntrans-55.7127.2-173.700000112.8W129 R136W129-A134 HydrophobicContact CE3-CB 4.08Å; W129-A134 HydrophobicContact CH2-CB 3.75Å; W129-A134 HydrophobicContact CZ2-CB 4.32Å; W129-A134 HydrophobicContact CZ3-CB 3.63Å; W129-A134 PolarHBondContact O-N 3.02Å; A134-R136 PolarHBondContact O-N 3.12Å
135G96.6Very high97.7Very high92 Ų9267.8 Ų67.895%0.94838%0.384SS*.THydrogen-bonded Turntrans71.310.5177.500000115.2C133C133-G135 PolarHBondContact O-N 3.09Å
136R97Very high97.6Very high143 Ų14370.7 Ų70.754%0.5440%0.395SS..SBendtrans-99.1156.9177.6-63.5179.5-174.2-94.32.5111.2L131 H132 C133 A134 L138L131-R136 PolarHBondContact O-NH2 3.1Å; H132-R136 WeakPolarHBondContact O-CD 3.42Å; H132-R136 PolarHBondContact O-NE 2.84Å; C133-R136 WeakPolarHBondContact O-CB 3.43Å; C133-R136 PolarHBondContact O-N 2.97Å; C133-R136 VanDerWaalsContact O-N 3.1Å; A134-R136 PolarHBondContact O-N 3.12Å; R136-L138 HydrophobicContact CB-CD2 4.2Å; R136-L138 WeakPolarHBondContact O-CG 3.21Å; R136-L138 PolarHBondContact O-N 2.85Å
137P97.1Very high97.3Very high109 Ų10972.6 Ų72.671%0.70841%0.406SS*.  trans-70.1111.6169.928.1-32.7000109.8Y140P137-Y140 WeakPolarHBondContact O-CE1 3.23Å
138L97.9Very high96.3Very high11 Ų1176.1 Ų76.16%0.05844%0.443CS..  trans-106.73.2-175.7-63.5-173.8000113.6T45 D46 C49 C133 R136 Y140 W141T45-L138 WeakPolarHBondContact CB-O 3.09Å; T45-L138 WeakPolarHBondContact CG2-O 3.03Å; T45-L138 WeakPolarHBondContact OG1-CB 3.31Å; D46-L138 WeakPolarHBondContact OD1-CD1 3.49Å; C49-L138 HydrophobicContact CB-CD1 3.98Å; C49-L138 HydrophobicContact CB-CD2 4.16Å; C133-L138 HydrophobicContact CB-CD1 4.16Å; R136-L138 HydrophobicContact CB-CD2 4.2Å; R136-L138 WeakPolarHBondContact O-CG 3.21Å; R136-L138 PolarHBondContact O-N 2.85Å; L138-Y140 PolarHBondContact O-N 3.09Å; L138-W141 WeakPolarHBondContact O-CB 3.15Å; L138-W141 VanDerWaalsContact O-CD1 3.28Å; L138-W141 PolarHBondContact O-N 3.42Å
139S96.7Very high96.2Very high93 Ų9376.3 Ų76.365%0.6545%0.449SS*.G310 helixtrans-56.5-29-175.557.70000114.2W141 M142S139-W141 PolarHBondContact O-N 3.11Å; S139-W141 VanDerWaalsContact O-N 3.17Å; S139-M142 PolarHBondContact O-N 3.12Å; S139-M142 VanDerWaalsContact O-N 3.09Å
140Y96.3Very high96.1Very high121 Ų12179.7 Ų79.748%0.47547%0.471SS..G310 helixtrans-61.7-23.2178.272.3-93.9000113.2P137 L138 M142 T143P137-Y140 WeakPolarHBondContact O-CE1 3.23Å; L138-Y140 PolarHBondContact O-N 3.09Å; Y140-M142 PolarHBondContact O-N 3.07Å; Y140-T143 WeakPolarHBondContact CA-OG1 3.3Å; Y140-T143 WeakPolarHBondContact O-CB 3.16Å; Y140-T143 PolarHBondContact O-N 3.15Å; Y140-T143 VanDerWaalsContact O-N 3.14Å; Y140-T143 PolarHBondContact O-OG1 3.27Å
141W98.1Very high95.9Very high15 Ų1577.3 Ų77.36%0.05747%0.471CS..G310 helixtrans-64.4-16.8176.1-73.5114.6000113.4R24 T45 L48 F52 F57 L138 S139R24-W141 WeakPolarHBondContact CD-O 3.42Å; R24-W141 HydrophobicContact CG-CE3 4.18Å; R24-W141 PolarHBondContact NH1-O 3.33Å; T45-W141 HydrophobicContact CG2-CB 4.15Å; L48-W141 HydrophobicContact CB-CB 4.03Å; L48-W141 HydrophobicContact CB-CD2 4.24Å; L48-W141 HydrophobicContact CB-CE3 4.3Å; L48-W141 HydrophobicContact CB-CG 4.14Å; L48-W141 HydrophobicContact CD1-CB 3.95Å; L48-W141 WeakPolarHBondContact CD1-O 3.2Å; F52-W141 HydrophobicContact CB-CH2 3.5Å; F52-W141 VanDerWaalsContact CB-CH2 3.5Å; F52-W141 HydrophobicContact CB-CZ2 3.95Å; F52-W141 HydrophobicContact CB-CZ3 4.15Å; F52-W141 AromaticContact CD1-CH2 3.58Å; F52-W141 HydrophobicContact CD1-CH2 3.58Å; F52-W141 AromaticContact CD1-CZ2 3.9Å; F52-W141 HydrophobicContact CD1-CZ2 3.9Å; F52-W141 AromaticContact CD2-CH2 3.79Å; F52-W141 HydrophobicContact CD2-CH2 3.79Å; F52-W141 HydrophobicContact CD2-CZ3 4.34Å; F52-W141 HydrophobicContact CE1-CH2 4.22Å; F52-W141 HydrophobicContact CE2-CH2 4.38Å; F52-W141 AromaticContact CG-CH2 3.32Å; F52-W141 HydrophobicContact CG-CH2 3.32Å; F52-W141 AromaticContact CG-CZ2 3.99Å; F52-W141 HydrophobicContact CG-CZ2 3.99Å; F52-W141 HydrophobicContact CG-CZ3 4.18Å; F57-W141 AromaticContact CE2-CZ3 3.93Å; F57-W141 HydrophobicContact CE2-CZ3 3.93Å; F57-W141 HydrophobicContact CZ-CE3 4.08Å; F57-W141 HydrophobicContact CZ-CH2 4.2Å; F57-W141 AromaticContact CZ-CZ3 3.52Å; F57-W141 HydrophobicContact CZ-CZ3 3.52Å; L138-W141 WeakPolarHBondContact O-CB 3.15Å; L138-W141 VanDerWaalsContact O-CD1 3.28Å; L138-W141 PolarHBondContact O-N 3.42Å; S139-W141 PolarHBondContact O-N 3.11Å; S139-W141 VanDerWaalsContact O-N 3.17Å
142M97.9Very high95.8Very high48 Ų4876.1 Ų76.124%0.23647%0.469CS..G310 helixtrans-106.3-2.3175.6-75.2-62.4-66.800113.7A28 L44 T45 L48 S139 Y140 G144 C145 L147A28-M142 HydrophobicContact CB-SD 3.87Å; L44-M142 HydrophobicContact CB-SD 4.49Å; T45-M142 HydrophobicContact CG2-CB 4.32Å; T45-M142 HydrophobicContact CG2-CG 3.61Å; L48-M142 HydrophobicContact CD1-SD 3.93Å; S139-M142 PolarHBondContact O-N 3.12Å; S139-M142 VanDerWaalsContact O-N 3.09Å; Y140-M142 PolarHBondContact O-N 3.07Å; M142-G144 PolarHBondContact O-N 3.06Å; M142-G144 VanDerWaalsContact O-N 3.16Å; M142-C145 HydrophobicContact CE-CB 4.05Å; M142-C145 PolarHBondContact O-N 3.1Å; M142-C145 HydrophobicContact SD-CB 4.26Å; M142-L147 HydrophobicContact CE-CD1 3.76Å; M142-L147 HydrophobicContact CE-CD2 3.92Å; M142-L147 HydrophobicContact CE-CG 3.83Å
143T97.6Very high95.6Very high94 Ų9474.5 Ų74.558%0.57747%0.469SS*.THydrogen-bonded Turntrans-57.4123179.4-61.20000110.8R24 Y140 C145R24-T143 PolarHBondContact NH1-O 3.16Å; R24-T143 PolarHBondContact NH2-O 3.34Å; Y140-T143 WeakPolarHBondContact CA-OG1 3.3Å; Y140-T143 WeakPolarHBondContact O-CB 3.16Å; Y140-T143 PolarHBondContact O-N 3.15Å; Y140-T143 VanDerWaalsContact O-N 3.14Å; Y140-T143 PolarHBondContact O-OG1 3.27Å; T143-C145 PolarHBondContact O-N 3.26Å
144G97Very high95.4Very high61 Ų6179.5 Ų79.563%0.62950%0.5SS*.THydrogen-bonded Turntrans736179.400000115.4M142M142-G144 PolarHBondContact O-N 3.06Å; M142-G144 VanDerWaalsContact O-N 3.16Å
145C97.8Very high95.2Very high16 Ų1682.6 Ų82.611%0.10852%0.515CS..  trans-87.4136.9172-60.50000110.7R24 C25 M142 T143R24-C145 PolarHBondContact NH1-SG 3.09Å; C25-C145 WeakPolarHBondContact CA-SG 3.41Å; C25-C145 HydrophobicContact CB-CB 3.75Å; C25-C145 WeakPolarHBondContact CB-SG 3.39Å; C25-C145 WeakPolarHBondContact SG-CA 3.39Å; C25-C145 WeakPolarHBondContact SG-CB 3.48Å; C25-C145 CovalentContact SG-SG 2.05Å; C25-C145 PolarHBondContact SG-SG 3.26Å; M142-C145 HydrophobicContact CE-CB 4.05Å; M142-C145 PolarHBondContact O-N 3.1Å; M142-C145 HydrophobicContact SD-CB 4.26Å; T143-C145 PolarHBondContact O-N 3.26Å
146H95.4Very high95.1Very high144 Ų14481.8 Ų81.867%0.66748%0.481SS*.  trans-117123.3173.7-60.6-73.1000108.2K29K29-H146 WeakPolarHBondContact CE-O 3.46Å
147L92.1Very high95Very high57 Ų5776.8 Ų76.830%0.29848%0.477SS..  trans-91.7-2.5-177.2-61179.3000113.5A28 K29 H32 L44 M142A28-L147 HydrophobicContact CB-CD2 4.14Å; K29-L147 HydrophobicContact CG-CD2 4.22Å; H32-L147 HydrophobicContact CB-CD1 4.29Å; H32-L147 HydrophobicContact CB-CD2 4.18Å; L44-L147 HydrophobicContact CD1-CD1 3.79Å; L44-L147 HydrophobicContact CD1-CD2 4.44Å; M142-L147 HydrophobicContact CE-CD1 3.76Å; M142-L147 HydrophobicContact CE-CD2 3.92Å; M142-L147 HydrophobicContact CE-CG 3.83Å
148A75.9Confident94.8Very high152 Ų15273.8 Ų73.8100%1.25646%0.456SS*.  trans-77.90177.300000112.6

Retrieved 148 of 148 residues in 56.7 ms (Link to these results)

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