A0A077S2U3_MOUSE Loading...

Lysozyme b

AlphaFold DB (Q9DA11), UniProt , Accession A0A077S2U3, Species MOUSE (Mus musculus, Mouse), Gene Lyzl6, 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
1M50.8Low57.2Low243 Ų243128.7 Ų128.7100%1.19772%0.719SS**  07.50-66177.771.100114.3
2L59.8Low57.1Low129 Ų129126.6 Ų126.668%0.67572%0.717SS**  trans-130.144.6175.4-162.773.6000112.2L5L2-L5 HydrophobicContact CD1-CD2 4.34Å
3K58.1Low56.9Low176 Ų176128.2 Ų128.277%0.76572%0.721SS**SBendtrans-119.7-28.8170-81.4-173.6173.4-176.30112.2L5 F6K3-L5 VanDerWaalsContact C-N 3.26Å; K3-L5 PolarHBondContact O-N 3.34Å; K3-F6 PolarHBondContact O-N 3.45Å
4A57.8Low56.8Low73 Ų73130.6 Ų130.660%0.60373%0.73SS**Hα-helixtrans-61.1-34.8174.200000112.4F6 I7 C8A4-F6 PolarHBondContact O-N 3.35Å; A4-I7 PolarHBondContact O-N 3.35Å; A4-C8 PolarHBondContact O-N 3.43Å
5L57Low56.8Low120 Ų120129.1 Ų129.163%0.62873%0.725SS**Hα-helixtrans-68.2-32.5-177.9-164.267.7000113L2 K3L2-L5 HydrophobicContact CD1-CD2 4.34Å; K3-L5 VanDerWaalsContact C-N 3.26Å; K3-L5 PolarHBondContact O-N 3.34Å
6F56.2Low56.6Low167 Ų167128.8 Ų128.873%0.73273%0.726SS**Hα-helixtrans-75-28.9178.3-97.9-80.7000113K3 A4K3-F6 PolarHBondContact O-N 3.45Å; A4-F6 PolarHBondContact O-N 3.35Å
7I57.9Low56.6Low127 Ų127127.2 Ų127.265%0.65172%0.716SS**Hα-helixtrans-76.2-34.3-179.5-63.8170.4000110.8A4 V9A4-I7 PolarHBondContact O-N 3.35Å; I7-V9 PolarHBondContact O-N 3.41Å
8C54.7Low56.6Low86 Ų86128.6 Ų128.658%0.58172%0.721SS**Hα-helixtrans-70.2-24.9-179.8-730000114.7A4 S11A4-C8 PolarHBondContact O-N 3.43Å; C8-S11 PolarHBondContact O-OG 3.42Å
9V58.2Low57.3Low114 Ų114123.6 Ų123.669%0.69170%0.702SS**Hα-helixtrans-82-28.7-179.7-174.30000111.5I7 S11I7-V9 PolarHBondContact O-N 3.41Å; V9-S11 VanDerWaalsContact C-N 3.35Å; V9-S11 PolarHBondContact O-N 3.37Å
10A57.5Low58.9Low89 Ų89120.2 Ų120.274%0.73668%0.682SS**Hα-helixtrans-76.2-18.3-177.100000114.1
11S61Low60.7Low92 Ų92118.8 Ų118.864%0.64367%0.671SS**THydrogen-bonded Turntrans-910.3-173.954.20000115.7C8 V9C8-S11 PolarHBondContact O-OG 3.42Å; V9-S11 VanDerWaalsContact C-N 3.35Å; V9-S11 PolarHBondContact O-N 3.37Å
12C56.4Low62.9Low103 Ų103108.4 Ų108.470%0.69662%0.62SS**SBendtrans-107.79.5-169.7-88.40000117.1
13L54.3Low64.7Low148 Ų148109.3 Ų109.378%0.77562%0.621SS**  trans-135.950.1176.7-67.1171000112.7V15L13-V15 HydrophobicContact CD2-CG2 4.05Å; L13-V15 PolarHBondContact O-N 3.27Å
14L55Low66.6Low161 Ų161104.5 Ų104.584%0.84360%0.598SS**  trans-82.777.8143.1-61.9-175.1000105.9V16L14-V16 PolarHBondContact O-N 3.27Å
15V57.8Low68.5Low108 Ų108102.9 Ų102.966%0.65558%0.582SS**  trans-62.297.8158.9177.20000103.8L13 N17L13-V15 HydrophobicContact CD2-CG2 4.05Å; L13-V15 PolarHBondContact O-N 3.27Å; V15-N17 PolarHBondContact O-N 2.96Å
16V53Low70.5Confident124 Ų124100 Ų10075%0.75257%0.572SS**  trans-62.699.9166.9-1490000103.3L14 D18L14-V16 PolarHBondContact O-N 3.27Å; V16-D18 PolarHBondContact O-N 2.86Å
17N56.7Low72.5Confident102 Ų10292.1 Ų92.155%0.54554%0.537SS..  trans-72.484.3179.5-16832.1000106.8V15 G19V15-N17 PolarHBondContact O-N 2.96Å; N17-G19 PolarHBondContact O-N 3Å; N17-G19 WeakPolarHBondContact OD1-CA 2.84Å; N17-G19 PolarHBondContact OD1-N 2.05Å
18D56.6Low74.4Confident152 Ų15286 Ų8681%0.81351%0.506SS*.  trans-58.4-7160.3-97.9-21.5000111V16 N20V16-D18 PolarHBondContact O-N 2.86Å; D18-N20 PolarHBondContact O-N 3.38Å
19G69.6Low76.5Confident34 Ų3486.3 Ų86.335%0.35150%0.497SS..THydrogen-bonded Turntrans-75.519.9-173.100000117.4N17 I59N17-G19 PolarHBondContact O-N 3Å; N17-G19 WeakPolarHBondContact OD1-CA 2.84Å; N17-G19 PolarHBondContact OD1-N 2.05Å; G19-I59 WeakPolarHBondContact O-CD1 3.35Å
20N89.3Confident78.4Confident56 Ų5683.2 Ų83.230%0.29948%0.476SS..THydrogen-bonded Turntrans-102.6-22.1174.4-74.3-24.1000113.7D18 N58 I59 S60D18-N20 PolarHBondContact O-N 3.38Å; N20-N58 CarbonylContact O-C 3.49Å; N20-N58 WeakPolarHBondContact O-CA 3.48Å; N20-N58 PolarHBondContact O-OD1 3.14Å; N20-I59 VanDerWaalsContact O-CG1 3.31Å; N20-I59 WeakPolarHBondContact O-CG1 3.1Å; N20-I59 PolarHBondContact O-N 3.2Å; N20-S60 WeakPolarHBondContact OD1-CB 3.3Å; N20-S60 PolarHBondContact OD1-OG 2.87Å
21I96.9Very high80.4Confident91 Ų9179 Ų7947%0.46744%0.441SS..BIsolated β-bridgetrans-96.8119.3177.4-54.6-55.8000109.1F57 N58I21-F57 WeakPolarHBondContact CA-O 3.07Å; I21-F57 HydrophobicContact CG2-CB 4.32Å; I21-N58 HydrophobicContact CD1-CB 3.49Å; I21-N58 VanDerWaalsContact CD1-CB 3.49Å
22I97.4Very high82.2Confident25 Ų2580 Ų8013%0.12843%0.432CS..PPolyproline II helixtrans-86136.6172.9-171.3166000110.7L27 I30 F57 I59 I74 L106I22-L27 HydrophobicContact CD1-CB 3.95Å; I22-L27 HydrophobicContact CD1-CD1 4.31Å; I22-L27 HydrophobicContact CG1-CB 4.15Å; I22-L27 HydrophobicContact CG2-CB 4.1Å; I22-L27 HydrophobicContact CG2-CD2 4.32Å; I22-I30 HydrophobicContact CD1-CD1 3.68Å; I22-F57 HydrophobicContact CG2-CB 4.05Å; I22-F57 PolarHBondContact N-O 2.82Å; I22-F57 WeakPolarHBondContact O-CB 3.39Å; I22-I59 HydrophobicContact CB-CG2 3.85Å; I22-I59 HydrophobicContact CG2-CG2 3.71Å; I22-I74 HydrophobicContact CG2-CD1 3.55Å; I22-L106 HydrophobicContact CD1-CD1 4.01Å
23H97.3Very high84.2Confident147 Ų14780.3 Ų80.368%0.68142%0.423SS*.PPolyproline II helixtrans-67.7137.1172.8-69.3-69.6000111.2C25 S26 L27H23-C25 VanDerWaalsContact C-N 3.34Å; H23-C25 PolarHBondContact O-N 3.06Å; H23-S26 WeakPolarHBondContact O-CA 3.28Å; H23-S26 WeakPolarHBondContact O-CB 3.49Å; H23-S26 PolarHBondContact O-N 3.3Å; H23-L27 PolarHBondContact O-N 2.93Å
24R98Very high86.3Confident75 Ų7575.7 Ų75.728%0.28340%0.397SS..Hα-helixtrans-44-51.4180177.5178.35986.6-0.9114.2L27 A28 L48 F57 W141 T143 C145R24-L27 PolarHBondContact O-N 3.49Å; R24-A28 WeakPolarHBondContact O-CB 3.45Å; R24-A28 PolarHBondContact O-N 3.24Å; R24-L48 HydrophobicContact CG-CD1 4.31Å; R24-L48 HydrophobicContact CG-CD2 4.37Å; R24-F57 HydrophobicContact CB-CE2 4.44Å; R24-F57 HydrophobicContact CB-CZ 4.27Å; R24-F57 HydrophobicContact CG-CZ 4.31Å; R24-W141 WeakPolarHBondContact CD-O 3.4Å; R24-W141 HydrophobicContact CG-CE3 4.29Å; R24-W141 PolarHBondContact NH1-O 2.86Å; R24-T143 PolarHBondContact NH1-O 3.03Å; R24-T143 PolarHBondContact NH2-O 3.36Å; R24-C145 PolarHBondContact NH1-SG 2.97Å
25C98.5Very high88.3Confident40 Ų4073.9 Ų73.927%0.2739%0.389SS..Hα-helixtrans-74.2-28.1-178-63.70000113.4H23 A28 K29 C145H23-C25 VanDerWaalsContact C-N 3.34Å; H23-C25 PolarHBondContact O-N 3.06Å; C25-A28 PolarHBondContact O-N 3.36Å; C25-K29 PolarHBondContact O-N 2.9Å; C25-C145 WeakPolarHBondContact CA-SG 3.33Å; C25-C145 HydrophobicContact CB-CB 3.74Å; C25-C145 WeakPolarHBondContact CB-SG 3.23Å; C25-C145 WeakPolarHBondContact SG-CA 3.09Å; C25-C145 WeakPolarHBondContact SG-CB 3.04Å; C25-C145 CovalentContact SG-SG 2.05Å; C25-C145 PolarHBondContact SG-SG 3.13Å
26S97.7Very high90.2Very high60 Ų6068.8 Ų68.842%0.4236%0.358SS..Hα-helixtrans-66.5-43.3171.5-55.20000110.5H23 K29 I30H23-S26 WeakPolarHBondContact O-CA 3.28Å; H23-S26 WeakPolarHBondContact O-CB 3.49Å; H23-S26 PolarHBondContact O-N 3.3Å; S26-K29 PolarHBondContact O-N 3.21Å; S26-I30 WeakPolarHBondContact O-CG1 3.39Å; S26-I30 PolarHBondContact O-N 3.44Å
27L98.5Very high92.4Very high0 Ų066.9 Ų66.90%034%0.344CS..Hα-helixtrans-61.6-45.5172.8179.162.6000111.3I22 H23 R24 K29 I30 L31 L48 A51 F57 I74 L106I22-L27 HydrophobicContact CD1-CB 3.95Å; I22-L27 HydrophobicContact CD1-CD1 4.31Å; I22-L27 HydrophobicContact CG1-CB 4.15Å; I22-L27 HydrophobicContact CG2-CB 4.1Å; I22-L27 HydrophobicContact CG2-CD2 4.32Å; H23-L27 PolarHBondContact O-N 2.93Å; R24-L27 PolarHBondContact O-N 3.49Å; L27-K29 PolarHBondContact O-N 2.95Å; L27-I30 PolarHBondContact O-N 2.88Å; L27-L31 HydrophobicContact CD1-CD1 3.98Å; L27-L31 HydrophobicContact CD1-CD2 4.34Å; L27-L31 HydrophobicContact CD1-CG 3.91Å; L27-L31 HydrophobicContact CD2-CD1 4.36Å; L27-L31 HydrophobicContact CG-CD1 3.73Å; L27-L31 HydrophobicContact CG-CG 4.14Å; L27-L31 WeakPolarHBondContact O-CB 3.25Å; L27-L31 VanDerWaalsContact O-CG 3.25Å; L27-L31 WeakPolarHBondContact O-CG 3.4Å; L27-L31 PolarHBondContact O-N 3.19Å; L27-L48 HydrophobicContact CB-CD2 4.12Å; L27-L48 HydrophobicContact CD2-CD2 3.77Å; L27-L48 HydrophobicContact CG-CD2 3.87Å; L27-A51 HydrophobicContact CD2-CB 3.59Å; L27-F57 HydrophobicContact CD2-CD1 3.66Å; L27-F57 HydrophobicContact CD2-CE1 3.81Å; L27-I74 HydrophobicContact CD1-CD1 3.93Å; L27-I74 HydrophobicContact CD2-CD1 3.57Å; L27-I74 HydrophobicContact CG-CD1 4.37Å; L27-L106 HydrophobicContact CD1-CD1 3.62Å
28A98.7Very high94.4Very high0 Ų064.4 Ų64.40%034%0.342CS..Hα-helixtrans-55.9-41.8177.800000111.9R24 C25 Y32 L48 M142 L147R24-A28 WeakPolarHBondContact O-CB 3.45Å; R24-A28 PolarHBondContact O-N 3.24Å; C25-A28 PolarHBondContact O-N 3.36Å; A28-Y32 WeakPolarHBondContact O-CB 3.49Å; A28-Y32 PolarHBondContact O-N 3.29Å; A28-L48 HydrophobicContact CB-CD1 3.91Å; A28-L48 HydrophobicContact CB-CD2 4.16Å; A28-M142 HydrophobicContact CB-CE 4.29Å; A28-M142 HydrophobicContact CB-SD 3.99Å; A28-L147 HydrophobicContact CB-CD2 4.17Å
29K98.5Very high96.4Very high92 Ų9259.4 Ų59.440%0.431%0.313SS..Hα-helixtrans-64.7-48.3176.5-175.9173.9174.2175.50112.2C25 S26 L27 L31 Y32 E33 L147C25-K29 PolarHBondContact O-N 2.9Å; S26-K29 PolarHBondContact O-N 3.21Å; L27-K29 PolarHBondContact O-N 2.95Å; K29-L31 VanDerWaalsContact C-N 3.34Å; K29-L31 PolarHBondContact O-N 3.05Å; K29-Y32 WeakPolarHBondContact O-CB 3.38Å; K29-Y32 PolarHBondContact O-N 3.33Å; K29-E33 WeakPolarHBondContact CE-OE1 3.37Å; K29-E33 HydrophobicContact CG-CG 4.42Å; K29-E33 IonicContact NZ-OE1 3.76Å; K29-E33 WeakPolarHBondContact O-CB 3.49Å; K29-E33 WeakPolarHBondContact O-CG 3.4Å; K29-E33 PolarHBondContact O-N 3.43Å; K29-L147 HydrophobicContact CB-CD2 4.33Å
30I98.4Very high97.7Very high48 Ų4863.1 Ų63.125%0.24632%0.321CS..Hα-helixtrans-59-47.8177.1-66.4168.7000110.3I22 S26 L27 Y32 E33 E34 L106 I110I22-I30 HydrophobicContact CD1-CD1 3.68Å; S26-I30 WeakPolarHBondContact O-CG1 3.39Å; S26-I30 PolarHBondContact O-N 3.44Å; L27-I30 PolarHBondContact O-N 2.88Å; I30-Y32 VanDerWaalsContact C-N 3.28Å; I30-Y32 PolarHBondContact O-N 3.37Å; I30-E33 PolarHBondContact O-N 3.24Å; I30-E34 HydrophobicContact CG2-CG 4.32Å; I30-E34 WeakPolarHBondContact O-CB 3.34Å; I30-E34 VanDerWaalsContact O-CG 3.28Å; I30-E34 WeakPolarHBondContact O-CG 3.34Å; I30-E34 PolarHBondContact O-N 2.94Å; I30-L106 HydrophobicContact CD1-CD1 4.31Å; I30-I110 HydrophobicContact CG2-CD1 3.74Å
31L98.7Very high98.1Very high0 Ų063.8 Ų63.80%034%0.341CS..Hα-helixtrans-62.2-37.2179.3-66.7172.1000112L27 K29 E34 D35 L36 L44 W47 L48 F75 I110L27-L31 HydrophobicContact CD1-CD1 3.98Å; L27-L31 HydrophobicContact CD1-CD2 4.34Å; L27-L31 HydrophobicContact CD1-CG 3.91Å; L27-L31 HydrophobicContact CD2-CD1 4.36Å; L27-L31 HydrophobicContact CG-CD1 3.73Å; L27-L31 HydrophobicContact CG-CG 4.14Å; L27-L31 WeakPolarHBondContact O-CB 3.25Å; L27-L31 VanDerWaalsContact O-CG 3.25Å; L27-L31 WeakPolarHBondContact O-CG 3.4Å; L27-L31 PolarHBondContact O-N 3.19Å; K29-L31 VanDerWaalsContact C-N 3.34Å; K29-L31 PolarHBondContact O-N 3.05Å; L31-E34 PolarHBondContact O-N 3.39Å; L31-D35 PolarHBondContact O-N 3.15Å; L31-L36 HydrophobicContact CB-CB 4.13Å; L31-L36 HydrophobicContact CB-CG 4.5Å; L31-L36 HydrophobicContact CD2-CB 4.43Å; L31-L36 HydrophobicContact CD2-CG 4Å; L31-L36 VanDerWaalsContact O-CB 3.29Å; L31-L36 WeakPolarHBondContact O-CB 3.31Å; L31-L36 PolarHBondContact O-N 3.1Å; L31-L44 HydrophobicContact CB-CD2 3.48Å; L31-L44 VanDerWaalsContact CB-CD2 3.48Å; L31-W47 HydrophobicContact CD1-CB 3.6Å; L31-W47 HydrophobicContact CD1-CG 4.45Å; L31-L48 HydrophobicContact CD1-CD2 4.25Å; L31-F75 HydrophobicContact CD2-CZ 4.08Å; L31-I110 HydrophobicContact CD2-CD1 4.07Å; L31-I110 HydrophobicContact CD2-CG1 4.13Å
32Y98.5Very high98.2Very high113 Ų11361.1 Ų61.144%0.44333%0.325SS..Hα-helixtrans-64.6-48.1174.2-178.9-105.1000111.9A28 K29 I30 E34 D35 D37 L44 L147A28-Y32 WeakPolarHBondContact O-CB 3.49Å; A28-Y32 PolarHBondContact O-N 3.29Å; K29-Y32 WeakPolarHBondContact O-CB 3.38Å; K29-Y32 PolarHBondContact O-N 3.33Å; I30-Y32 VanDerWaalsContact C-N 3.28Å; I30-Y32 PolarHBondContact O-N 3.37Å; Y32-E34 PolarHBondContact O-N 3.02Å; Y32-D35 PolarHBondContact O-N 2.9Å; Y32-D35 VanDerWaalsContact O-N 3.13Å; Y32-D37 HydrophobicContact CD2-CB 4.22Å; Y32-L44 HydrophobicContact CD2-CD1 4.09Å; Y32-L44 HydrophobicContact CG-CD1 4.45Å; Y32-L147 HydrophobicContact CD1-CB 4.14Å; Y32-L147 HydrophobicContact CD1-CD1 4.42Å; Y32-L147 HydrophobicContact CD2-CD1 3.82Å; Y32-L147 HydrophobicContact CE1-CB 4.45Å; Y32-L147 HydrophobicContact CE2-CD1 4.36Å; Y32-L147 HydrophobicContact CG-CB 4.37Å; Y32-L147 HydrophobicContact CG-CD1 3.85Å
33E98.4Very high98.3Very high110 Ų11061.8 Ų61.851%0.51433%0.333SS..Hα-helixtrans-63.5-27.2178.8-72173.3162.800112.5K29 I30K29-E33 WeakPolarHBondContact CE-OE1 3.37Å; K29-E33 HydrophobicContact CG-CG 4.42Å; K29-E33 IonicContact NZ-OE1 3.76Å; K29-E33 WeakPolarHBondContact O-CB 3.49Å; K29-E33 WeakPolarHBondContact O-CG 3.4Å; K29-E33 PolarHBondContact O-N 3.43Å; I30-E33 PolarHBondContact O-N 3.24Å
34E98.3Very high98.3Very high51 Ų5154.9 Ų54.924%0.23830%0.301CS..THydrogen-bonded Turntrans-92.315.4176.9-64.8-59.4136.800113.7I30 L31 Y32 L36 I107 I110 K114I30-E34 HydrophobicContact CG2-CG 4.32Å; I30-E34 WeakPolarHBondContact O-CB 3.34Å; I30-E34 VanDerWaalsContact O-CG 3.28Å; I30-E34 WeakPolarHBondContact O-CG 3.34Å; I30-E34 PolarHBondContact O-N 2.94Å; L31-E34 PolarHBondContact O-N 3.39Å; Y32-E34 PolarHBondContact O-N 3.02Å; E34-L36 HydrophobicContact CB-CD2 3.87Å; E34-L36 WeakPolarHBondContact O-CD2 3.2Å; E34-I107 HydrophobicContact CG-CD1 3.97Å; E34-I107 WeakPolarHBondContact OE1-CD1 3.03Å; E34-I107 VanDerWaalsContact OE2-CD1 3.23Å; E34-I107 WeakPolarHBondContact OE2-CD1 3.09Å; E34-I110 HydrophobicContact CB-CD1 4.16Å; E34-I110 HydrophobicContact CB-CG2 4.03Å; E34-I110 HydrophobicContact CG-CD1 3.87Å; E34-K114 VanDerWaalsContact O-CE 3.32Å; E34-K114 WeakPolarHBondContact O-CE 3.45Å; E34-K114 PolarHBondContact O-NZ 3.27Å
35D98Very high98.4Very high124 Ų12452.1 Ų52.166%0.66329%0.293SS*.THydrogen-bonded Turntrans6141.2177.3-57.9-52.4000114.8L31 Y32L31-D35 PolarHBondContact O-N 3.15Å; Y32-D35 PolarHBondContact O-N 2.9Å; Y32-D35 VanDerWaalsContact O-N 3.13Å
36L98.6Very high98.4Very high0 Ų051.6 Ų51.60%029%0.287CS..  trans-93.4-17.6178-76.7-83.2000112.3L31 E34 G38 F39 W47 I110 K114L31-L36 HydrophobicContact CB-CB 4.13Å; L31-L36 HydrophobicContact CB-CG 4.5Å; L31-L36 HydrophobicContact CD2-CB 4.43Å; L31-L36 HydrophobicContact CD2-CG 4Å; L31-L36 VanDerWaalsContact O-CB 3.29Å; L31-L36 WeakPolarHBondContact O-CB 3.31Å; L31-L36 PolarHBondContact O-N 3.1Å; E34-L36 HydrophobicContact CB-CD2 3.87Å; E34-L36 WeakPolarHBondContact O-CD2 3.2Å; L36-G38 PolarHBondContact O-N 3.14Å; L36-F39 PolarHBondContact O-N 2.98Å; L36-W47 HydrophobicContact CB-CD2 4.42Å; L36-W47 HydrophobicContact CB-CG 4.41Å; L36-W47 HydrophobicContact CD1-CD2 3.79Å; L36-W47 HydrophobicContact CD1-CE3 4.05Å; L36-W47 HydrophobicContact CD1-CH2 3.45Å; L36-W47 VanDerWaalsContact CD1-CH2 3.45Å; L36-W47 HydrophobicContact CD1-CZ2 3.16Å; L36-W47 HydrophobicContact CD1-CZ3 3.9Å; L36-W47 HydrophobicContact CG-CD2 4.46Å; L36-W47 HydrophobicContact CG-CZ2 4.42Å; L36-W47 PolarHBondContact O-NE1 3.2Å; L36-I110 HydrophobicContact CD1-CG2 4.36Å; L36-I110 HydrophobicContact CD2-CG2 3.56Å; L36-I110 HydrophobicContact CG-CG2 4.17Å; L36-K114 HydrophobicContact CD1-CG 4.1Å; L36-K114 HydrophobicContact CD2-CD 4.43Å; L36-K114 HydrophobicContact CD2-CG 4.48Å
37D98.2Very high98.5Very high85 Ų8548.8 Ų48.846%0.45527%0.267SS..THydrogen-bonded Turntrans-70.8111.5177-160.830.7000110.7Y32 F39 L44Y32-D37 HydrophobicContact CD2-CB 4.22Å; D37-F39 VanDerWaalsContact C-N 3.33Å; D37-L44 HydrophobicContact CB-CD1 4.07Å; D37-L44 HydrophobicContact CB-CD2 4.13Å; D37-L44 HydrophobicContact CB-CG 3.65Å; D37-L44 PolarHBondContact OD1-N 3.15Å
38G98.2Very high98.5Very high49 Ų4948.8 Ų48.851%0.50527%0.267SS..THydrogen-bonded Turntrans85.1-0.5-175.900000114.6L36 E40 G41 Y42L36-G38 PolarHBondContact O-N 3.14Å; G38-E40 PolarHBondContact O-N 3.18Å; G38-G41 PolarHBondContact O-N 2.83Å; G38-Y42 CarbonylContact C-O 3.52Å; G38-Y42 WeakPolarHBondContact CA-O 3.32Å; G38-Y42 PolarHBondContact N-O 3.19Å
39F98.7Very high98.5Very high47 Ų4748.9 Ų48.921%0.20627%0.268CS..G310 helixtrans-59.8121.8178.6-176.7-94.9000110.8L36 D37 G41 Y42 W47 K114 V117 S118L36-F39 PolarHBondContact O-N 2.98Å; D37-F39 VanDerWaalsContact C-N 3.33Å; F39-G41 PolarHBondContact O-N 2.77Å; F39-Y42 PolarHBondContact N-O 2.78Å; F39-Y42 PolarHBondContact O-N 3.42Å; F39-W47 HydrophobicContact CD1-CZ2 4.14Å; F39-K114 HydrophobicContact CD1-CG 4.24Å; F39-K114 HydrophobicContact CD2-CD 4.35Å; F39-K114 HydrophobicContact CD2-CG 4.45Å; F39-K114 HydrophobicContact CE1-CB 3.85Å; F39-K114 HydrophobicContact CE1-CG 3.84Å; F39-K114 HydrophobicContact CE2-CB 4.38Å; F39-K114 HydrophobicContact CE2-CD 3.95Å; F39-K114 HydrophobicContact CE2-CG 4.08Å; F39-K114 HydrophobicContact CZ-CB 3.67Å; F39-K114 HydrophobicContact CZ-CD 4.1Å; F39-K114 HydrophobicContact CZ-CG 3.76Å; F39-V117 HydrophobicContact CD1-CB 4.49Å; F39-V117 HydrophobicContact CD1-CG1 4.04Å; F39-V117 HydrophobicContact CE1-CB 4.17Å; F39-V117 HydrophobicContact CE1-CG1 4.05Å; F39-S118 WeakPolarHBondContact CZ-OG 3.44Å
40E98Very high98.5Very high112 Ų11244.5 Ų44.552%0.52325%0.249SC..G310 helixtrans51.826.8-174.7-58.9-72179.100113.6G38 Y42 V117 S118G38-E40 PolarHBondContact O-N 3.18Å; E40-Y42 HydrophobicContact CB-CD2 4.22Å; E40-Y42 HydrophobicContact CB-CE2 4.45Å; E40-V117 HydrophobicContact CB-CG1 3.75Å; E40-V117 HydrophobicContact CG-CG1 4.01Å; E40-S118 WeakPolarHBondContact OE1-CB 3.34Å; E40-S118 PolarHBondContact OE1-OG 3.46Å
41G97.8Very high98.5Very high70 Ų7042.2 Ų42.272%0.72224%0.237SC*.G310 helixtrans84.26.5-179.200000115.5G38 F39G38-G41 PolarHBondContact O-N 2.83Å; F39-G41 PolarHBondContact O-N 2.77Å
42Y98.6Very high98.5Very high35 Ų3546.2 Ų46.214%0.13725%0.254CS..  trans-97132.8176.4-63.2-76.2000111.6G38 F39 E40 D46 V117 M123 W129G38-Y42 CarbonylContact C-O 3.52Å; G38-Y42 WeakPolarHBondContact CA-O 3.32Å; G38-Y42 PolarHBondContact N-O 3.19Å; F39-Y42 PolarHBondContact N-O 2.78Å; F39-Y42 PolarHBondContact O-N 3.42Å; E40-Y42 HydrophobicContact CB-CD2 4.22Å; E40-Y42 HydrophobicContact CB-CE2 4.45Å; Y42-D46 HydrophobicContact CD1-CB 4.26Å; Y42-V117 HydrophobicContact CD2-CG1 3.59Å; Y42-V117 HydrophobicContact CE2-CG1 3.66Å; Y42-M123 HydrophobicContact CD1-CB 4.21Å; Y42-M123 HydrophobicContact CD1-CE 4.25Å; Y42-M123 HydrophobicContact CD1-CG 3.84Å; Y42-M123 HydrophobicContact CD1-SD 3.43Å; Y42-M123 WeakPolarHBondContact CD1-SD 3.32Å; Y42-M123 HydrophobicContact CD2-CG 4.05Å; Y42-M123 HydrophobicContact CD2-SD 4.39Å; Y42-M123 HydrophobicContact CE1-CB 3.67Å; Y42-M123 HydrophobicContact CE1-CG 3.79Å; Y42-M123 HydrophobicContact CE1-SD 3.88Å; Y42-M123 HydrophobicContact CE2-CB 4.3Å; Y42-M123 HydrophobicContact CE2-CG 4Å; Y42-M123 HydrophobicContact CG-CE 3.93Å; Y42-M123 HydrophobicContact CG-CG 3.95Å; Y42-M123 HydrophobicContact CG-SD 3.7Å; Y42-M123 PolarHBondContact OH-N 3.09Å; Y42-M123 VanDerWaalsContact OH-N 3.08Å; Y42-W129 HydrophobicContact CD1-CH2 4.26Å; Y42-W129 HydrophobicContact CD1-CZ2 4.08Å; Y42-W129 AromaticContact CE1-CH2 3.64Å; Y42-W129 HydrophobicContact CE1-CH2 3.64Å; Y42-W129 AromaticContact CE1-CZ2 3.91Å; Y42-W129 HydrophobicContact CE1-CZ2 3.91Å; Y42-W129 HydrophobicContact CE1-CZ3 4.4Å
43S98.5Very high98.5Very high40 Ų4042.6 Ų42.628%0.2824%0.244SC..  trans-87.7164-179.469.60000112.2P45 D46 W47S43-P45 VanDerWaalsContact C-N 3.33Å; S43-P45 WeakPolarHBondContact OG-CD 3.43Å; S43-D46 WeakPolarHBondContact CB-OD2 3.29Å; S43-D46 PolarHBondContact N-OD2 3.05Å; S43-D46 VanDerWaalsContact O-CB 3.3Å; S43-D46 WeakPolarHBondContact O-CB 3.47Å; S43-D46 PolarHBondContact O-N 3Å; S43-D46 PolarHBondContact OG-OD2 3.45Å; S43-W47 PolarHBondContact O-N 2.67Å
44L98.6Very high98.5Very high2 Ų238.5 Ų38.51%0.0123%0.225CC..Hα-helixtrans-50.4-44.5171.8-70.2174.1000114L31 Y32 D37 D46 W47 L48 M142 L147L31-L44 HydrophobicContact CB-CD2 3.48Å; L31-L44 VanDerWaalsContact CB-CD2 3.48Å; Y32-L44 HydrophobicContact CD2-CD1 4.09Å; Y32-L44 HydrophobicContact CG-CD1 4.45Å; D37-L44 HydrophobicContact CB-CD1 4.07Å; D37-L44 HydrophobicContact CB-CD2 4.13Å; D37-L44 HydrophobicContact CB-CG 3.65Å; D37-L44 PolarHBondContact OD1-N 3.15Å; L44-D46 PolarHBondContact O-N 2.94Å; L44-W47 PolarHBondContact O-N 3.46Å; L44-W47 VanDerWaalsContact O-N 3.13Å; L44-L48 WeakPolarHBondContact O-CG 3.37Å; L44-L48 PolarHBondContact O-N 2.98Å; L44-M142 HydrophobicContact CB-SD 4.05Å; L44-M142 HydrophobicContact CD1-CE 4.19Å; L44-M142 HydrophobicContact CD1-SD 4.4Å; L44-L147 HydrophobicContact CD1-CD1 3.66Å
45P98.8Very high98.5Very high17 Ų1736.3 Ų36.311%0.1122%0.215CC..Hα-helixtrans-50.2-37170.5-31.432.8000116S43 C49 L138 W141 M142S43-P45 VanDerWaalsContact C-N 3.33Å; S43-P45 WeakPolarHBondContact OG-CD 3.43Å; P45-C49 VanDerWaalsContact O-CB 3.31Å; P45-C49 WeakPolarHBondContact O-CB 2.96Å; P45-C49 PolarHBondContact O-N 2.89Å; P45-L138 HydrophobicContact CB-CB 3.54Å; P45-L138 WeakPolarHBondContact CB-O 3.36Å; P45-W141 HydrophobicContact CB-CB 4.28Å; P45-M142 HydrophobicContact CG-CG 3.84Å
46D98.8Very high98.5Very high29 Ų2935 Ų3516%0.15521%0.209CC..Hα-helixtrans-65.3-44.9177.7-63.6-74.6000110.7Y42 S43 L44 C49 L50 M123 W129 L138Y42-D46 HydrophobicContact CD1-CB 4.26Å; S43-D46 WeakPolarHBondContact CB-OD2 3.29Å; S43-D46 PolarHBondContact N-OD2 3.05Å; S43-D46 VanDerWaalsContact O-CB 3.3Å; S43-D46 WeakPolarHBondContact O-CB 3.47Å; S43-D46 PolarHBondContact O-N 3Å; S43-D46 PolarHBondContact OG-OD2 3.45Å; L44-D46 PolarHBondContact O-N 2.94Å; D46-C49 PolarHBondContact O-N 3.25Å; D46-L50 WeakPolarHBondContact O-CB 3.38Å; D46-L50 PolarHBondContact O-N 3.38Å; D46-M123 HydrophobicContact CB-CE 4.13Å; D46-M123 HydrophobicContact CB-SD 3.83Å; D46-W129 HydrophobicContact CB-CZ2 4.2Å; D46-W129 PolarHBondContact O-NE1 3.14Å; D46-W129 VanDerWaalsContact O-NE1 3.13Å; D46-L138 HydrophobicContact CB-CD1 4.5Å; D46-L138 WeakPolarHBondContact OD1-CD1 3.39Å
47W98.9Very high98.5Very high0 Ų035.9 Ų35.90%021%0.212CC..Hα-helixtrans-66.1-39.6176.7-65.8103.1000113.1L31 L36 F39 S43 L44 L50 A51 F75 A113 V117 M123L31-W47 HydrophobicContact CD1-CB 3.6Å; L31-W47 HydrophobicContact CD1-CG 4.45Å; L36-W47 HydrophobicContact CB-CD2 4.42Å; L36-W47 HydrophobicContact CB-CG 4.41Å; L36-W47 HydrophobicContact CD1-CD2 3.79Å; L36-W47 HydrophobicContact CD1-CE3 4.05Å; L36-W47 HydrophobicContact CD1-CH2 3.45Å; L36-W47 VanDerWaalsContact CD1-CH2 3.45Å; L36-W47 HydrophobicContact CD1-CZ2 3.16Å; L36-W47 HydrophobicContact CD1-CZ3 3.9Å; L36-W47 HydrophobicContact CG-CD2 4.46Å; L36-W47 HydrophobicContact CG-CZ2 4.42Å; L36-W47 PolarHBondContact O-NE1 3.2Å; F39-W47 HydrophobicContact CD1-CZ2 4.14Å; S43-W47 PolarHBondContact O-N 2.67Å; L44-W47 PolarHBondContact O-N 3.46Å; L44-W47 VanDerWaalsContact O-N 3.13Å; W47-L50 HydrophobicContact CE3-CD2 4.16Å; W47-L50 HydrophobicContact CZ3-CD2 4.28Å; W47-L50 WeakPolarHBondContact O-CB 3.36Å; W47-L50 PolarHBondContact O-N 3.22Å; W47-A51 PolarHBondContact O-N 2.81Å; W47-F75 HydrophobicContact CE3-CE1 4.28Å; W47-F75 HydrophobicContact CE3-CE2 4.24Å; W47-F75 AromaticContact CE3-CZ 3.83Å; W47-F75 HydrophobicContact CE3-CZ 3.83Å; W47-F75 HydrophobicContact CZ3-CE2 4.36Å; W47-F75 HydrophobicContact CZ3-CZ 4.39Å; W47-A113 HydrophobicContact CH2-CB 4.34Å; W47-A113 HydrophobicContact CZ3-CB 3.9Å; W47-V117 HydrophobicContact CH2-CB 4.19Å; W47-V117 HydrophobicContact CH2-CG2 3.56Å; W47-V117 HydrophobicContact CZ2-CG1 4.45Å; W47-V117 HydrophobicContact CZ2-CG2 4.21Å; W47-V117 HydrophobicContact CZ3-CG2 4.28Å; W47-M123 HydrophobicContact CB-CE 4.44Å; W47-M123 HydrophobicContact CD2-CE 3.11Å; W47-M123 HydrophobicContact CE3-CE 3.41Å; W47-M123 VanDerWaalsContact CE3-CE 3.41Å; W47-M123 HydrophobicContact CG-CE 3.63Å; W47-M123 HydrophobicContact CH2-CE 3.78Å; W47-M123 HydrophobicContact CZ2-CE 3.49Å; W47-M123 VanDerWaalsContact CZ2-CE 3.49Å; W47-M123 HydrophobicContact CZ3-CE 3.73Å
48L98.9Very high98.5Very high0 Ų033.9 Ų33.90%020%0.202CC..Hα-helixtrans-67.3-39.4176.2-68.4175.4000111.6R24 L27 A28 L31 L44 F52 F57 W141 M142R24-L48 HydrophobicContact CG-CD1 4.31Å; R24-L48 HydrophobicContact CG-CD2 4.37Å; L27-L48 HydrophobicContact CB-CD2 4.12Å; L27-L48 HydrophobicContact CD2-CD2 3.77Å; L27-L48 HydrophobicContact CG-CD2 3.87Å; A28-L48 HydrophobicContact CB-CD1 3.91Å; A28-L48 HydrophobicContact CB-CD2 4.16Å; L31-L48 HydrophobicContact CD1-CD2 4.25Å; L44-L48 WeakPolarHBondContact O-CG 3.37Å; L44-L48 PolarHBondContact O-N 2.98Å; L48-F52 WeakPolarHBondContact O-CB 3.46Å; L48-F52 PolarHBondContact O-N 2.68Å; L48-F57 HydrophobicContact CD2-CE1 4.41Å; L48-F57 WeakPolarHBondContact O-CE1 3.44Å; L48-W141 HydrophobicContact CB-CB 3.96Å; L48-W141 HydrophobicContact CB-CD2 4.2Å; L48-W141 HydrophobicContact CB-CE3 4.19Å; L48-W141 HydrophobicContact CB-CG 4.11Å; L48-W141 HydrophobicContact CD1-CB 3.92Å; L48-W141 VanDerWaalsContact CD1-O 3.32Å; L48-W141 WeakPolarHBondContact CD1-O 3.39Å; L48-M142 HydrophobicContact CD1-SD 3.66Å
49C98.9Very high98.5Very high2 Ų232 Ų321%0.01418%0.18CC..Hα-helixtrans-62.7-45.8173-167.60000110.9P45 D46 F52 V53 C133 L138P45-C49 VanDerWaalsContact O-CB 3.31Å; P45-C49 WeakPolarHBondContact O-CB 2.96Å; P45-C49 PolarHBondContact O-N 2.89Å; D46-C49 PolarHBondContact O-N 3.25Å; C49-F52 PolarHBondContact O-N 2.93Å; C49-V53 WeakPolarHBondContact O-CG1 3.26Å; C49-V53 WeakPolarHBondContact O-CG2 3.32Å; C49-V53 PolarHBondContact O-N 2.9Å; C49-C133 HydrophobicContact CB-CB 3.82Å; C49-C133 WeakPolarHBondContact CB-SG 3.42Å; C49-C133 WeakPolarHBondContact SG-CB 3.37Å; C49-C133 CovalentContact SG-SG 2.03Å; C49-C133 PolarHBondContact SG-SG 3.13Å; C49-L138 HydrophobicContact CB-CD1 4.04Å; C49-L138 HydrophobicContact CB-CD2 4.14Å
50L98.9Very high98.4Very high0 Ų031.3 Ų31.30%018%0.181CC..Hα-helixtrans-54.1-55.5175.3177.862.6000111.4D46 W47 F52 V53 E54 F75 W126 W129D46-L50 WeakPolarHBondContact O-CB 3.38Å; D46-L50 PolarHBondContact O-N 3.38Å; W47-L50 HydrophobicContact CE3-CD2 4.16Å; W47-L50 HydrophobicContact CZ3-CD2 4.28Å; W47-L50 WeakPolarHBondContact O-CB 3.36Å; W47-L50 PolarHBondContact O-N 3.22Å; L50-F52 VanDerWaalsContact C-N 3.25Å; L50-F52 PolarHBondContact O-N 3.23Å; L50-V53 WeakPolarHBondContact O-CG2 3.41Å; L50-V53 PolarHBondContact O-N 3.16Å; L50-E54 HydrophobicContact CD1-CG 3.61Å; L50-E54 HydrophobicContact CG-CG 4.34Å; L50-E54 VanDerWaalsContact O-CB 3.3Å; L50-E54 WeakPolarHBondContact O-CB 3.18Å; L50-E54 VanDerWaalsContact O-CG 3.24Å; L50-E54 WeakPolarHBondContact O-CG 3.39Å; L50-E54 PolarHBondContact O-N 3.09Å; L50-F75 HydrophobicContact CB-CD1 4.47Å; L50-F75 HydrophobicContact CD2-CD1 3.68Å; L50-F75 HydrophobicContact CD2-CE1 4.03Å; L50-F75 HydrophobicContact CD2-CG 4.17Å; L50-F75 HydrophobicContact CG-CD1 3.75Å; L50-F75 HydrophobicContact CG-CE1 4.22Å; L50-W126 HydrophobicContact CD1-CB 3.6Å; L50-W126 HydrophobicContact CD1-CD2 3.86Å; L50-W126 HydrophobicContact CD1-CG 3.42Å; L50-W126 VanDerWaalsContact CD1-CG 3.42Å; L50-W126 HydrophobicContact CD2-CD2 4.17Å; L50-W126 HydrophobicContact CD2-CE3 4.41Å; L50-W126 HydrophobicContact CD2-CZ2 4.37Å; L50-W129 HydrophobicContact CB-CG 4.4Å; L50-W129 HydrophobicContact CD1-CB 3.68Å; L50-W129 HydrophobicContact CD1-CG 4.17Å
51A98.9Very high98.4Very high0 Ų028.6 Ų28.60%017%0.167CC..Hα-helixtrans-57.3-38.6179.200000113L27 W47 S55 N56 F57 I74 F75L27-A51 HydrophobicContact CD2-CB 3.59Å; W47-A51 PolarHBondContact O-N 2.81Å; A51-S55 PolarHBondContact O-N 3.21Å; A51-S55 VanDerWaalsContact O-N 3.11Å; A51-S55 PolarHBondContact O-OG 3.31Å; A51-N56 PolarHBondContact O-N 3.38Å; A51-F57 HydrophobicContact CB-CD1 3.74Å; A51-F57 HydrophobicContact CB-CE1 3.8Å; A51-F57 PolarHBondContact O-N 3.32Å; A51-I74 HydrophobicContact CB-CD1 3.83Å; A51-I74 HydrophobicContact CB-CG1 3.83Å; A51-F75 HydrophobicContact CB-CD1 4.21Å; A51-F75 HydrophobicContact CB-CE1 3.83Å
52F98.8Very high98.4Very high84 Ų8428.2 Ų28.237%0.36815%0.151SC..Hα-helixtrans-68.6-49.8179.2178.8-105.5000112.5L48 C49 L50 E54 N56 F57 W141L48-F52 WeakPolarHBondContact O-CB 3.46Å; L48-F52 PolarHBondContact O-N 2.68Å; C49-F52 PolarHBondContact O-N 2.93Å; L50-F52 VanDerWaalsContact C-N 3.25Å; L50-F52 PolarHBondContact O-N 3.23Å; F52-E54 VanDerWaalsContact C-N 3.33Å; F52-E54 PolarHBondContact O-N 3.21Å; F52-N56 WeakPolarHBondContact CD2-OD1 3.21Å; F52-N56 WeakPolarHBondContact CE2-OD1 3.09Å; F52-N56 WeakPolarHBondContact O-CA 3.19Å; F52-N56 PolarHBondContact O-N 3.33Å; F52-F57 HydrophobicContact CB-CE1 4.21Å; F52-F57 HydrophobicContact CB-CE2 3.88Å; F52-F57 HydrophobicContact CB-CZ 3.68Å; F52-F57 AromaticContact CD2-CD2 3.99Å; F52-F57 HydrophobicContact CD2-CD2 3.99Å; F52-F57 AromaticContact CD2-CE2 3.52Å; F52-F57 HydrophobicContact CD2-CE2 3.52Å; F52-F57 HydrophobicContact CD2-CZ 4.2Å; F52-F57 HydrophobicContact CE2-CE2 4.5Å; F52-F57 HydrophobicContact CG-CE2 4.14Å; F52-F57 HydrophobicContact CG-CZ 4.38Å; F52-W141 HydrophobicContact CB-CH2 3.47Å; F52-W141 VanDerWaalsContact CB-CH2 3.47Å; F52-W141 HydrophobicContact CB-CZ2 3.98Å; F52-W141 HydrophobicContact CB-CZ3 4.05Å; F52-W141 AromaticContact CD1-CH2 3.52Å; F52-W141 HydrophobicContact CD1-CH2 3.52Å; F52-W141 AromaticContact CD1-CZ2 3.82Å; F52-W141 HydrophobicContact CD1-CZ2 3.82Å; F52-W141 AromaticContact CD2-CH2 3.79Å; F52-W141 HydrophobicContact CD2-CH2 3.79Å; F52-W141 HydrophobicContact CD2-CZ3 4.33Å; F52-W141 HydrophobicContact CE1-CH2 4.15Å; F52-W141 HydrophobicContact CE2-CH2 4.36Å; F52-W141 AromaticContact CG-CH2 3.29Å; F52-W141 HydrophobicContact CG-CH2 3.29Å; F52-W141 AromaticContact CG-CZ2 3.97Å; F52-W141 HydrophobicContact CG-CZ2 3.97Å; F52-W141 HydrophobicContact CG-CZ3 4.12Å
53V98.6Very high98.4Very high38 Ų3829.6 Ų29.623%0.2316%0.16CC..Hα-helixtrans-70.8-32.6-174.9-58.60000111.9C49 L50 E128 H132C49-V53 WeakPolarHBondContact O-CG1 3.26Å; C49-V53 WeakPolarHBondContact O-CG2 3.32Å; C49-V53 PolarHBondContact O-N 2.9Å; L50-V53 WeakPolarHBondContact O-CG2 3.41Å; L50-V53 PolarHBondContact O-N 3.16Å; V53-E128 HydrophobicContact CB-CB 4.13Å; V53-E128 HydrophobicContact CG2-CB 3.75Å; V53-H132 HydrophobicContact CG1-CB 3.76Å
54E98.7Very high98.3Very high23 Ų2334.6 Ų34.611%0.10718%0.179CC..Hα-helixtrans-79.1-43.7-179.2-67.6-62167.700112.5L50 F52 K61 Q76 W126 E128L50-E54 HydrophobicContact CD1-CG 3.61Å; L50-E54 HydrophobicContact CG-CG 4.34Å; L50-E54 VanDerWaalsContact O-CB 3.3Å; L50-E54 WeakPolarHBondContact O-CB 3.18Å; L50-E54 VanDerWaalsContact O-CG 3.24Å; L50-E54 WeakPolarHBondContact O-CG 3.39Å; L50-E54 PolarHBondContact O-N 3.09Å; F52-E54 VanDerWaalsContact C-N 3.33Å; F52-E54 PolarHBondContact O-N 3.21Å; E54-K61 PolarHBondContact O-NZ 2.95Å; E54-Q76 HydrophobicContact CB-CB 4.07Å; E54-Q76 HydrophobicContact CB-CG 3.69Å; E54-Q76 HydrophobicContact CG-CB 4.49Å; E54-Q76 WeakPolarHBondContact O-CG 3.47Å; E54-W126 WeakPolarHBondContact OE1-CB 3.49Å; E54-E128 WeakPolarHBondContact OE1-CB 3.41Å
55S98.3Very high98.2Very high5 Ų537 Ų374%0.03519%0.192CC..Hα-helixtrans-132.5-2.6-17069.80000115.9A51 F57 N58 I74A51-S55 PolarHBondContact O-N 3.21Å; A51-S55 VanDerWaalsContact O-N 3.11Å; A51-S55 PolarHBondContact O-OG 3.31Å; S55-F57 PolarHBondContact O-N 3.04Å; S55-F57 PolarHBondContact OG-N 3.23Å; S55-N58 WeakPolarHBondContact CB-O 3.46Å; S55-N58 WeakPolarHBondContact O-CB 3.19Å; S55-N58 PolarHBondContact O-N 3.32Å; S55-N58 PolarHBondContact OG-N 3.3Å; S55-I74 WeakPolarHBondContact CB-O 3.47Å; S55-I74 WeakPolarHBondContact OG-CA 3.34Å; S55-I74 WeakPolarHBondContact OG-CG1 3.36Å; S55-I74 PolarHBondContact OG-O 3.37Å
56N98Very high98Very high98 Ų9843.9 Ų43.952%0.52423%0.234SC..THydrogen-bonded Turntrans51.141.3-166.8-170.744.4000111.4A51 F52 N58A51-N56 PolarHBondContact O-N 3.38Å; F52-N56 WeakPolarHBondContact CD2-OD1 3.21Å; F52-N56 WeakPolarHBondContact CE2-OD1 3.09Å; F52-N56 WeakPolarHBondContact O-CA 3.19Å; F52-N56 PolarHBondContact O-N 3.33Å; N56-N58 PolarHBondContact O-N 3.39Å
57F98.4Very high97.8Very high18 Ų1847.5 Ų47.58%0.07925%0.253CS..THydrogen-bonded Turntrans62.618.9-175.5-53.2-68.4000115.8I21 I22 R24 L27 L48 A51 F52 S55 I59 W141I21-F57 WeakPolarHBondContact CA-O 3.07Å; I21-F57 HydrophobicContact CG2-CB 4.32Å; I22-F57 HydrophobicContact CG2-CB 4.05Å; I22-F57 PolarHBondContact N-O 2.82Å; I22-F57 WeakPolarHBondContact O-CB 3.39Å; R24-F57 HydrophobicContact CB-CE2 4.44Å; R24-F57 HydrophobicContact CB-CZ 4.27Å; R24-F57 HydrophobicContact CG-CZ 4.31Å; L27-F57 HydrophobicContact CD2-CD1 3.66Å; L27-F57 HydrophobicContact CD2-CE1 3.81Å; L48-F57 HydrophobicContact CD2-CE1 4.41Å; L48-F57 WeakPolarHBondContact O-CE1 3.44Å; A51-F57 HydrophobicContact CB-CD1 3.74Å; A51-F57 HydrophobicContact CB-CE1 3.8Å; A51-F57 PolarHBondContact O-N 3.32Å; F52-F57 HydrophobicContact CB-CE1 4.21Å; F52-F57 HydrophobicContact CB-CE2 3.88Å; F52-F57 HydrophobicContact CB-CZ 3.68Å; F52-F57 AromaticContact CD2-CD2 3.99Å; F52-F57 HydrophobicContact CD2-CD2 3.99Å; F52-F57 AromaticContact CD2-CE2 3.52Å; F52-F57 HydrophobicContact CD2-CE2 3.52Å; F52-F57 HydrophobicContact CD2-CZ 4.2Å; F52-F57 HydrophobicContact CE2-CE2 4.5Å; F52-F57 HydrophobicContact CG-CE2 4.14Å; F52-F57 HydrophobicContact CG-CZ 4.38Å; S55-F57 PolarHBondContact O-N 3.04Å; S55-F57 PolarHBondContact OG-N 3.23Å; F57-I59 PolarHBondContact O-N 3.04Å; F57-W141 AromaticContact CE2-CZ3 3.92Å; F57-W141 HydrophobicContact CE2-CZ3 3.92Å; F57-W141 HydrophobicContact CZ-CE3 4.11Å; F57-W141 HydrophobicContact CZ-CH2 4.32Å; F57-W141 AromaticContact CZ-CZ3 3.56Å; F57-W141 HydrophobicContact CZ-CZ3 3.56Å
58N98.2Very high97.6Very high43 Ų4349 Ų4923%0.2327%0.269CS..BIsolated β-bridgetrans-80.9105.9173.9-174.7-11.9000110.9N20 I21 S55 N56 S60 K61N20-N58 CarbonylContact O-C 3.49Å; N20-N58 WeakPolarHBondContact O-CA 3.48Å; N20-N58 PolarHBondContact O-OD1 3.14Å; I21-N58 HydrophobicContact CD1-CB 3.49Å; I21-N58 VanDerWaalsContact CD1-CB 3.49Å; S55-N58 WeakPolarHBondContact CB-O 3.46Å; S55-N58 WeakPolarHBondContact O-CB 3.19Å; S55-N58 PolarHBondContact O-N 3.32Å; S55-N58 PolarHBondContact OG-N 3.3Å; N56-N58 PolarHBondContact O-N 3.39Å; N58-S60 PolarHBondContact O-N 3.32Å; N58-S60 PolarHBondContact OD1-N 3.33Å; N58-K61 HydrophobicContact CB-CB 3.98Å; N58-K61 PolarHBondContact O-N 3.28Å; N58-K61 PolarHBondContact OD1-N 3.29Å
59I98Very high97.5Very high10 Ų1049.1 Ų49.15%0.05127%0.27CS..THydrogen-bonded Turntrans-65.8-20.4-177.476-157.9000113.4G19 N20 I22 F57 G73 I74 P104 L106G19-I59 WeakPolarHBondContact O-CD1 3.35Å; N20-I59 VanDerWaalsContact O-CG1 3.31Å; N20-I59 WeakPolarHBondContact O-CG1 3.1Å; N20-I59 PolarHBondContact O-N 3.2Å; I22-I59 HydrophobicContact CB-CG2 3.85Å; I22-I59 HydrophobicContact CG2-CG2 3.71Å; F57-I59 PolarHBondContact O-N 3.04Å; I59-G73 VanDerWaalsContact O-CA 3.29Å; I59-G73 WeakPolarHBondContact O-CA 3.35Å; I59-I74 HydrophobicContact CG2-CD1 4.27Å; I59-P104 HydrophobicContact CD1-CB 4.09Å; I59-P104 HydrophobicContact CD1-CG 4.25Å; I59-L106 HydrophobicContact CB-CD2 4.3Å; I59-L106 HydrophobicContact CG2-CD2 4.22Å
60S96.9Very high97.5Very high31 Ų3150.9 Ų50.922%0.21728%0.277CS..THydrogen-bonded Turntrans-115.917.1-174.7-51.60000112.4N20 N58 L102N20-S60 WeakPolarHBondContact OD1-CB 3.3Å; N20-S60 PolarHBondContact OD1-OG 2.87Å; N58-S60 PolarHBondContact O-N 3.32Å; N58-S60 PolarHBondContact OD1-N 3.33Å; S60-L102 PolarHBondContact OG-O 2.94Å
61K97.9Very high97.4Very high56 Ų5652 Ų5224%0.24328%0.283CS..  trans-68.4133.4179-172.3-178176.2-1620110.6E54 N58 N63 G73 Q76E54-K61 PolarHBondContact O-NZ 2.95Å; N58-K61 HydrophobicContact CB-CB 3.98Å; N58-K61 PolarHBondContact O-N 3.28Å; N58-K61 PolarHBondContact OD1-N 3.29Å; K61-N63 WeakPolarHBondContact CE-ND2 3.3Å; K61-N63 WeakPolarHBondContact CE-OD1 3.42Å; K61-N63 PolarHBondContact NZ-ND2 3.23Å; K61-G73 PolarHBondContact O-N 3.01Å; K61-Q76 PolarHBondContact O-NE2 3.28Å; K61-Q76 VanDerWaalsContact O-NE2 3.1Å
62V97.9Very high97.4Very high62 Ų6252.8 Ų52.838%0.37629%0.286SS..EExtended strand (participates in β ladder)trans-126.8129.4171.4-1780000108.5F70 D71 Y72 L102V62-F70 HydrophobicContact CG1-CB 4.41Å; V62-F70 HydrophobicContact CG1-CD1 4.03Å; V62-D71 VanDerWaalsContact CA-O 3.31Å; V62-D71 WeakPolarHBondContact CA-O 3.49Å; V62-Y72 HydrophobicContact CG1-CD1 4.44Å; V62-Y72 HydrophobicContact CG1-CE1 4.15Å; V62-Y72 HydrophobicContact CG2-CD1 3.94Å; V62-Y72 HydrophobicContact CG2-CE1 4.13Å; V62-L102 HydrophobicContact CG2-CD1 3.73Å; V62-L102 HydrophobicContact CG2-CD2 3.66Å; V62-L102 HydrophobicContact CG2-CG 4.35Å
63N97.7Very high97.4Very high63 Ų6348.8 Ų48.834%0.33727%0.268SS..EExtended strand (participates in β ladder)trans-119.7141.4171.6-67-22.6000110.1K61 F70 D71 Q76K61-N63 WeakPolarHBondContact CE-ND2 3.3Å; K61-N63 WeakPolarHBondContact CE-OD1 3.42Å; K61-N63 PolarHBondContact NZ-ND2 3.23Å; N63-F70 CarbonylContact O-C 3.52Å; N63-F70 VanDerWaalsContact O-CA 3.23Å; N63-F70 WeakPolarHBondContact O-CA 3.45Å; N63-D71 PolarHBondContact N-O 3.02Å; N63-D71 VanDerWaalsContact N-O 3.09Å; N63-D71 PolarHBondContact O-N 3.43Å; N63-Q76 VanDerWaalsContact CG-OE1 3.24Å; N63-Q76 PolarHBondContact ND2-OE1 3.21Å
64E97Very high97.4Very high145 Ų14547 Ų4768%0.67826%0.258SS*.EExtended strand (participates in β ladder)trans-88.6137169.8-174.7177.6-178.300109.8F70E64-F70 HydrophobicContact CB-CD1 3.88Å; E64-F70 HydrophobicContact CB-CE1 3.59Å; E64-F70 HydrophobicContact CB-CZ 4.31Å; E64-F70 HydrophobicContact CG-CD1 4.25Å; E64-F70 HydrophobicContact CG-CE1 3.69Å; E64-F70 HydrophobicContact CG-CZ 3.88Å
65N95.9Very high97.4Very high52 Ų5246 Ų4628%0.27825%0.253SS..  trans-100.4158.9175.5-72-57.2000111.7D67 G68 S69 D71 N78N65-D67 WeakPolarHBondContact CB-OD1 3.36Å; N65-D67 PolarHBondContact O-N 3.01Å; N65-D67 VanDerWaalsContact O-N 3.15Å; N65-G68 PolarHBondContact O-N 3.23Å; N65-S69 WeakPolarHBondContact CB-O 3.43Å; N65-S69 PolarHBondContact N-O 2.92Å; N65-D71 PolarHBondContact ND2-OD1 3.42Å; N65-D71 PolarHBondContact ND2-OD2 3.4Å; N65-D71 PolarHBondContact OD1-OD2 3.2Å; N65-N78 PolarHBondContact ND2-ND2 2.94Å
66V94.9Very high97.4Very high162 Ų16246.1 Ų46.198%0.98225%0.253SS*.THydrogen-bonded Turntrans-60.8-27-178.2178.40000112.8G68V66-G68 VanDerWaalsContact C-N 3.27Å; V66-G68 PolarHBondContact O-N 2.81Å
67D93.8Very high97.5Very high106 Ų10641.5 Ų41.557%0.56723%0.228SC*.THydrogen-bonded Turntrans-83.71.7178.170.9-12.4000113.8N65 S69N65-D67 WeakPolarHBondContact CB-OD1 3.36Å; N65-D67 PolarHBondContact O-N 3.01Å; N65-D67 VanDerWaalsContact O-N 3.15Å; D67-S69 VanDerWaalsContact C-N 3.32Å; D67-S69 WeakPolarHBondContact OD1-CB 3.37Å; D67-S69 PolarHBondContact OD1-N 3.18Å; D67-S69 PolarHBondContact OD1-OG 3.26Å
68G94.9Very high97.4Very high32 Ų3241.9 Ų41.933%0.3323%0.231SC..SBendtrans82.53-178.700000114.6N65 V66N65-G68 PolarHBondContact O-N 3.23Å; V66-G68 VanDerWaalsContact C-N 3.27Å; V66-G68 PolarHBondContact O-N 2.81Å
69S97.1Very high97.5Very high2 Ų239.9 Ų39.91%0.01422%0.22CC..  trans-78.5167.3166.470.40000111.1N65 D67 N78N65-S69 WeakPolarHBondContact CB-O 3.43Å; N65-S69 PolarHBondContact N-O 2.92Å; D67-S69 VanDerWaalsContact C-N 3.32Å; D67-S69 WeakPolarHBondContact OD1-CB 3.37Å; D67-S69 PolarHBondContact OD1-N 3.18Å; D67-S69 PolarHBondContact OD1-OG 3.26Å; S69-N78 PolarHBondContact OG-ND2 3.41Å
70F98.2Very high97.4Very high38 Ų3843.4 Ų43.417%0.16723%0.233CC..EExtended strand (participates in β ladder)trans-129.3146.6179-67.7-98.6000110.8V62 N63 E64 Y72 N78 S79V62-F70 HydrophobicContact CG1-CB 4.41Å; V62-F70 HydrophobicContact CG1-CD1 4.03Å; N63-F70 CarbonylContact O-C 3.52Å; N63-F70 VanDerWaalsContact O-CA 3.23Å; N63-F70 WeakPolarHBondContact O-CA 3.45Å; E64-F70 HydrophobicContact CB-CD1 3.88Å; E64-F70 HydrophobicContact CB-CE1 3.59Å; E64-F70 HydrophobicContact CB-CZ 4.31Å; E64-F70 HydrophobicContact CG-CD1 4.25Å; E64-F70 HydrophobicContact CG-CE1 3.69Å; E64-F70 HydrophobicContact CG-CZ 3.88Å; F70-Y72 HydrophobicContact CB-CD2 4.18Å; F70-Y72 HydrophobicContact CB-CE2 3.33Å; F70-Y72 HydrophobicContact CG-CE2 4.49Å; F70-Y72 WeakPolarHBondContact O-CD2 3.1Å; F70-N78 CarbonylContact O-C 3.58Å; F70-N78 WeakPolarHBondContact O-CA 3.29Å; F70-S79 PolarHBondContact N-OG 2.86Å; F70-S79 PolarHBondContact O-N 3.14Å; F70-S79 PolarHBondContact O-OG 3.1Å
71D98.4Very high97.5Very high25 Ų2547.2 Ų47.213%0.13424%0.243CC..EExtended strand (participates in β ladder)trans-105.4129.4174.6-63.3-35.7000110.9V62 N63 N65 Q76 N78V62-D71 VanDerWaalsContact CA-O 3.31Å; V62-D71 WeakPolarHBondContact CA-O 3.49Å; N63-D71 PolarHBondContact N-O 3.02Å; N63-D71 VanDerWaalsContact N-O 3.09Å; N63-D71 PolarHBondContact O-N 3.43Å; N65-D71 PolarHBondContact ND2-OD1 3.42Å; N65-D71 PolarHBondContact ND2-OD2 3.4Å; N65-D71 PolarHBondContact OD1-OD2 3.2Å; D71-Q76 HydrophobicContact CB-CB 3.86Å; D71-N78 WeakPolarHBondContact OD1-CA 3.37Å; D71-N78 WeakPolarHBondContact OD1-CB 3.35Å; D71-N78 VanDerWaalsContact OD1-CG 3.31Å; D71-N78 PolarHBondContact OD1-ND2 2.94Å
72Y98.5Very high97.5Very high15 Ų1547.1 Ų47.16%0.05924%0.242CC..EExtended strand (participates in β ladder)trans-115.5136.7-169.4-68.9-98.2000113.6V62 F70 Q76 I77 D85 Q87 C98 L102V62-Y72 HydrophobicContact CG1-CD1 4.44Å; V62-Y72 HydrophobicContact CG1-CE1 4.15Å; V62-Y72 HydrophobicContact CG2-CD1 3.94Å; V62-Y72 HydrophobicContact CG2-CE1 4.13Å; F70-Y72 HydrophobicContact CB-CD2 4.18Å; F70-Y72 HydrophobicContact CB-CE2 3.33Å; F70-Y72 HydrophobicContact CG-CE2 4.49Å; F70-Y72 WeakPolarHBondContact O-CD2 3.1Å; Y72-Q76 CarbonylContact O-C 3.46Å; Y72-Q76 WeakPolarHBondContact O-CA 3.31Å; Y72-Q76 PolarHBondContact O-N 3.49Å; Y72-I77 PolarHBondContact N-O 3.37Å; Y72-I77 PolarHBondContact O-N 2.87Å; Y72-D85 HydrophobicContact CE2-CB 4.09Å; Y72-D85 WeakPolarHBondContact OH-CB 3.45Å; Y72-Q87 PolarHBondContact OH-NE2 3.38Å; Y72-C98 HydrophobicContact CD1-CB 3.76Å; Y72-C98 HydrophobicContact CD2-CB 3.64Å; Y72-C98 HydrophobicContact CE1-CB 3.77Å; Y72-C98 HydrophobicContact CE2-CB 3.61Å; Y72-C98 HydrophobicContact CG-CB 3.72Å; Y72-L102 HydrophobicContact CD1-CD1 4.01Å; Y72-L102 HydrophobicContact CD1-CD2 4.01Å; Y72-L102 HydrophobicContact CD1-CG 4.05Å; Y72-L102 HydrophobicContact CE1-CD1 4.4Å
73G98.5Very high97.5Very high0 Ų044.1 Ų44.10%022%0.224CC..THydrogen-bonded Turntrans72.3-166164.400000114.6I59 K61 F75 Q76I59-G73 VanDerWaalsContact O-CA 3.29Å; I59-G73 WeakPolarHBondContact O-CA 3.35Å; K61-G73 PolarHBondContact O-N 3.01Å; G73-F75 PolarHBondContact O-N 2.92Å; G73-F75 VanDerWaalsContact O-N 3.14Å; G73-Q76 PolarHBondContact O-N 2.82Å; G73-Q76 PolarHBondContact O-NE2 2.61Å
74I98.6Very high97.6Very high1 Ų142.7 Ų42.71%0.00522%0.216CC..THydrogen-bonded Turntrans-60.3-30.9-168.3-158.1178.8000114.3I22 L27 A51 S55 I59 L106 T109I22-I74 HydrophobicContact CG2-CD1 3.55Å; L27-I74 HydrophobicContact CD1-CD1 3.93Å; L27-I74 HydrophobicContact CD2-CD1 3.57Å; L27-I74 HydrophobicContact CG-CD1 4.37Å; A51-I74 HydrophobicContact CB-CD1 3.83Å; A51-I74 HydrophobicContact CB-CG1 3.83Å; S55-I74 WeakPolarHBondContact CB-O 3.47Å; S55-I74 WeakPolarHBondContact OG-CA 3.34Å; S55-I74 WeakPolarHBondContact OG-CG1 3.36Å; S55-I74 PolarHBondContact OG-O 3.37Å; I59-I74 HydrophobicContact CG2-CD1 4.27Å; I74-L106 HydrophobicContact CG2-CD2 4.44Å; I74-T109 HydrophobicContact CG2-CG2 3.95Å
75F98.8Very high97.6Very high1 Ų136.6 Ų36.60%0.00419%0.188CC..THydrogen-bonded Turntrans-104.19.2178.9-60.6-42.8000112.8L31 W47 L50 A51 G73 I77 T109 A113 W126L31-F75 HydrophobicContact CD2-CZ 4.08Å; W47-F75 HydrophobicContact CE3-CE1 4.28Å; W47-F75 HydrophobicContact CE3-CE2 4.24Å; W47-F75 AromaticContact CE3-CZ 3.83Å; W47-F75 HydrophobicContact CE3-CZ 3.83Å; W47-F75 HydrophobicContact CZ3-CE2 4.36Å; W47-F75 HydrophobicContact CZ3-CZ 4.39Å; L50-F75 HydrophobicContact CB-CD1 4.47Å; L50-F75 HydrophobicContact CD2-CD1 3.68Å; L50-F75 HydrophobicContact CD2-CE1 4.03Å; L50-F75 HydrophobicContact CD2-CG 4.17Å; L50-F75 HydrophobicContact CG-CD1 3.75Å; L50-F75 HydrophobicContact CG-CE1 4.22Å; A51-F75 HydrophobicContact CB-CD1 4.21Å; A51-F75 HydrophobicContact CB-CE1 3.83Å; G73-F75 PolarHBondContact O-N 2.92Å; G73-F75 VanDerWaalsContact O-N 3.14Å; F75-I77 VanDerWaalsContact C-N 3.35Å; F75-I77 HydrophobicContact CB-CG1 4.19Å; F75-I77 PolarHBondContact O-N 2.96Å; F75-T109 HydrophobicContact CD2-CG2 3.81Å; F75-T109 HydrophobicContact CE2-CG2 4.38Å; F75-A113 HydrophobicContact CD2-CB 3.76Å; F75-A113 HydrophobicContact CE2-CB 4.04Å; F75-W126 HydrophobicContact CB-CZ2 4.47Å; F75-W126 PolarHBondContact O-NE1 2.82Å
76Q98.7Very high97.6Very high8 Ų842 Ų424%0.03721%0.206CC..THydrogen-bonded Turntrans5053.9175.9-64.9-66.1-95.400112.3E54 K61 N63 D71 Y72 G73 N78E54-Q76 HydrophobicContact CB-CB 4.07Å; E54-Q76 HydrophobicContact CB-CG 3.69Å; E54-Q76 HydrophobicContact CG-CB 4.49Å; E54-Q76 WeakPolarHBondContact O-CG 3.47Å; K61-Q76 PolarHBondContact O-NE2 3.28Å; K61-Q76 VanDerWaalsContact O-NE2 3.1Å; N63-Q76 VanDerWaalsContact CG-OE1 3.24Å; N63-Q76 PolarHBondContact ND2-OE1 3.21Å; D71-Q76 HydrophobicContact CB-CB 3.86Å; Y72-Q76 CarbonylContact O-C 3.46Å; Y72-Q76 WeakPolarHBondContact O-CA 3.31Å; Y72-Q76 PolarHBondContact O-N 3.49Å; G73-Q76 PolarHBondContact O-N 2.82Å; G73-Q76 PolarHBondContact O-NE2 2.61Å; Q76-N78 PolarHBondContact O-N 3.13Å
77I98.6Very high97.5Very high1 Ų140.6 Ų40.61%0.00519%0.188CC..EExtended strand (participates in β ladder)trans-75.7121-177.8-67175000108.9Y72 F75 W82 L101 T109 C112 I116Y72-I77 PolarHBondContact N-O 3.37Å; Y72-I77 PolarHBondContact O-N 2.87Å; F75-I77 VanDerWaalsContact C-N 3.35Å; F75-I77 HydrophobicContact CB-CG1 4.19Å; F75-I77 PolarHBondContact O-N 2.96Å; I77-W82 HydrophobicContact CG2-CB 3.4Å; I77-W82 HydrophobicContact CG2-CG 4.07Å; I77-L101 HydrophobicContact CB-CD1 3.84Å; I77-L101 HydrophobicContact CD1-CD1 4.19Å; I77-L101 HydrophobicContact CG2-CD1 3.77Å; I77-T109 HydrophobicContact CD1-CG2 4.22Å; I77-C112 HydrophobicContact CD1-CB 3.98Å; I77-I116 HydrophobicContact CD1-CD1 4.4Å; I77-I116 HydrophobicContact CG1-CD1 4.14Å; I77-I116 HydrophobicContact CG2-CD1 4.23Å
78N98.1Very high96.9Very high27 Ų2737.3 Ų37.314%0.14417%0.174CC..EExtended strand (participates in β ladder)trans-76.9131.5-171.9-172.9-82.8000113.6N65 S69 F70 D71 Q76 R80 Y81 W82N65-N78 PolarHBondContact ND2-ND2 2.94Å; S69-N78 PolarHBondContact OG-ND2 3.41Å; F70-N78 CarbonylContact O-C 3.58Å; F70-N78 WeakPolarHBondContact O-CA 3.29Å; D71-N78 WeakPolarHBondContact OD1-CA 3.37Å; D71-N78 WeakPolarHBondContact OD1-CB 3.35Å; D71-N78 VanDerWaalsContact OD1-CG 3.31Å; D71-N78 PolarHBondContact OD1-ND2 2.94Å; Q76-N78 PolarHBondContact O-N 3.13Å; N78-R80 VanDerWaalsContact C-N 3.32Å; N78-R80 PolarHBondContact O-N 3.36Å; N78-R80 WeakPolarHBondContact OD1-CA 3.3Å; N78-R80 WeakPolarHBondContact OD1-CB 3.39Å; N78-R80 PolarHBondContact OD1-N 2.99Å; N78-Y81 PolarHBondContact O-N 3.12Å; N78-W82 PolarHBondContact O-N 2.9Å
79S98.4Very high96.8Very high0 Ų041.1 Ų41.10%018%0.183CC..THydrogen-bonded Turntrans-72.1-17.6-179.164.30000115F70 Y81 C83 D85 S90 C98F70-S79 PolarHBondContact N-OG 2.86Å; F70-S79 PolarHBondContact O-N 3.14Å; F70-S79 PolarHBondContact O-OG 3.1Å; S79-Y81 PolarHBondContact O-N 2.9Å; S79-C83 CarbonylContact C-O 3.57Å; S79-C83 WeakPolarHBondContact CA-O 3.47Å; S79-D85 WeakPolarHBondContact CB-OD2 3.24Å; S79-D85 PolarHBondContact OG-OD2 3.03Å; S79-S90 WeakPolarHBondContact O-CB 3.01Å; S79-S90 PolarHBondContact O-OG 2.03Å; S79-C98 VanDerWaalsContact CB-SG 3.5Å
80R97.5Very high96.8Very high84 Ų8442 Ų4232%0.31719%0.189SC..THydrogen-bonded Turntrans-59.8-35174.6-175.365.2-173.4154.46.4111.8N78 H89 S90 E91N78-R80 VanDerWaalsContact C-N 3.32Å; N78-R80 PolarHBondContact O-N 3.36Å; N78-R80 WeakPolarHBondContact OD1-CA 3.3Å; N78-R80 WeakPolarHBondContact OD1-CB 3.39Å; N78-R80 PolarHBondContact OD1-N 2.99Å; R80-H89 PolarHBondContact NH1-CD2 3.07Å; R80-H89 PolarHBondContact NH1-O 3.22Å; R80-H89 VanDerWaalsContact NH1-O 3.08Å; R80-S90 WeakPolarHBondContact O-CA 3.45Å; R80-E91 PolarHBondContact O-N 3.1Å
81Y97.7Very high96.7Very high111 Ų11144.5 Ų44.544%0.43520%0.201SC..THydrogen-bonded Turntrans-121.4-40.8-168.7-54.6-70.1000113.6N78 S79 E91 N92 F93N78-Y81 PolarHBondContact O-N 3.12Å; S79-Y81 PolarHBondContact O-N 2.9Å; Y81-E91 HydrophobicContact CD1-CG 4.38Å; Y81-N92 PolarHBondContact O-N 2.83Å; Y81-N92 VanDerWaalsContact O-N 3.13Å; Y81-F93 WeakPolarHBondContact O-CD2 3.23Å; Y81-F93 PolarHBondContact O-N 3.48Å
82W98.4Very high96.7Very high54 Ų5444.9 Ų44.921%0.20520%0.203CC..THydrogen-bonded Turntrans-105.8-38.2-157.6-61112.5000113.7I77 N78 N92 F93 C94 I116I77-W82 HydrophobicContact CG2-CB 3.4Å; I77-W82 HydrophobicContact CG2-CG 4.07Å; N78-W82 PolarHBondContact O-N 2.9Å; W82-N92 CarbonylContact O-C 3.6Å; W82-N92 PolarHBondContact O-OD1 3.11Å; W82-F93 HydrophobicContact CE3-CB 3.78Å; W82-F93 HydrophobicContact CE3-CD2 4.18Å; W82-F93 HydrophobicContact CE3-CG 4.48Å; W82-F93 HydrophobicContact CZ3-CB 3.91Å; W82-F93 HydrophobicContact CZ3-CD2 4.15Å; W82-F93 HydrophobicContact CZ3-CG 4.44Å; W82-C94 WeakPolarHBondContact O-CA 3.32Å; W82-C94 WeakPolarHBondContact O-CB 3.45Å; W82-C94 PolarHBondContact O-N 2.76Å; W82-I116 HydrophobicContact CB-CD1 4.48Å; W82-I116 HydrophobicContact CD2-CD1 3.82Å; W82-I116 HydrophobicContact CD2-CG1 3.47Å; W82-I116 VanDerWaalsContact CD2-CG1 3.47Å; W82-I116 HydrophobicContact CE3-CD1 4.31Å; W82-I116 HydrophobicContact CE3-CG1 3.54Å; W82-I116 HydrophobicContact CG-CD1 3.85Å; W82-I116 HydrophobicContact CG-CG1 4.06Å; W82-I116 HydrophobicContact CH2-CB 4.22Å; W82-I116 HydrophobicContact CH2-CG1 3.87Å; W82-I116 HydrophobicContact CH2-CG2 4.26Å; W82-I116 HydrophobicContact CZ2-CB 4.23Å; W82-I116 HydrophobicContact CZ2-CG1 3.8Å; W82-I116 HydrophobicContact CZ2-CG2 3.88Å; W82-I116 HydrophobicContact CZ3-CB 4.44Å; W82-I116 HydrophobicContact CZ3-CG1 3.74Å
83C98.6Very high96.7Very high0 Ų049.2 Ų49.20%022%0.222CC..SBendtrans-131.3160.7179.164.40000110.7S79 S90 N92 V96 C98 L101S79-C83 CarbonylContact C-O 3.57Å; S79-C83 WeakPolarHBondContact CA-O 3.47Å; C83-S90 PolarHBondContact O-OG 2.82Å; C83-N92 WeakPolarHBondContact CA-OD1 3.22Å; C83-V96 WeakPolarHBondContact CA-O 3.4Å; C83-V96 HydrophobicContact CB-CG1 3.64Å; C83-C98 HydrophobicContact CB-CB 3.94Å; C83-C98 WeakPolarHBondContact CB-SG 3.43Å; C83-C98 PolarHBondContact O-SG 2.91Å; C83-C98 VanDerWaalsContact O-SG 3.34Å; C83-C98 WeakPolarHBondContact SG-CA 3.33Å; C83-C98 WeakPolarHBondContact SG-CB 3.4Å; C83-C98 CovalentContact SG-SG 2.04Å; C83-C98 PolarHBondContact SG-SG 3.09Å; C83-L101 HydrophobicContact CB-CD1 3.78Å
84N98.3Very high96.7Very high33 Ų3349.8 Ų49.818%0.17623%0.226CC..BIsolated β-bridgetrans-101.2122176.9-167.8-8.4000111Y86 N92 V96 D97 C98N84-Y86 WeakPolarHBondContact ND2-CE1 3.04Å; N84-Y86 WeakPolarHBondContact OD1-CA 3.38Å; N84-Y86 PolarHBondContact OD1-N 3.28Å; N84-N92 HydrophobicContact CB-CB 4.22Å; N84-V96 PolarHBondContact N-O 2.87Å; N84-D97 WeakPolarHBondContact O-CA 3.37Å; N84-C98 PolarHBondContact O-N 3.12Å
85D97.5Very high96.7Very high16 Ų1657.2 Ų57.29%0.08626%0.261CS..  trans-100.2-3.9175.361.615.9000113.2Y72 S79 Q87 S88 C98Y72-D85 HydrophobicContact CE2-CB 4.09Å; Y72-D85 WeakPolarHBondContact OH-CB 3.45Å; S79-D85 WeakPolarHBondContact CB-OD2 3.24Å; S79-D85 PolarHBondContact OG-OD2 3.03Å; D85-Q87 PolarHBondContact O-N 2.8Å; D85-Q87 PolarHBondContact OD1-N 3.33Å; D85-S88 PolarHBondContact OD1-N 3.25Å; D85-S88 VanDerWaalsContact OD1-N 3.14Å; D85-C98 HydrophobicContact CB-CB 4.04Å; D85-C98 PolarHBondContact N-SG 3.14Å
86Y96.1Very high96.7Very high167 Ų16757.8 Ų57.866%0.65526%0.264SS*.SBendtrans55.417.1-174.8-52.6-79.3000115.1N84N84-Y86 WeakPolarHBondContact ND2-CE1 3.04Å; N84-Y86 WeakPolarHBondContact OD1-CA 3.38Å; N84-Y86 PolarHBondContact OD1-N 3.28Å
87Q92.1Very high96.7Very high132 Ų13260 Ų6062%0.61728%0.276SS*.SBendtrans-106-34177.1-66-176.997.600111.8Y72 D85Y72-Q87 PolarHBondContact OH-NE2 3.38Å; D85-Q87 PolarHBondContact O-N 2.8Å; D85-Q87 PolarHBondContact OD1-N 3.33Å
88S82Confident96.6Very high37 Ų3760 Ų6026%0.25928%0.277SS..SBendtrans-132170.8179.872.70000111.7D85 S90D85-S88 PolarHBondContact OD1-N 3.25Å; D85-S88 VanDerWaalsContact OD1-N 3.14Å; S88-S90 PolarHBondContact O-N 2.97Å
89H92Very high96.6Very high111 Ų11164.6 Ų64.651%0.51430%0.297SS..  trans-67126.6172.6171.198000110R80 E91R80-H89 PolarHBondContact NH1-CD2 3.07Å; R80-H89 PolarHBondContact NH1-O 3.22Å; R80-H89 VanDerWaalsContact NH1-O 3.08Å; H89-E91 IonicContact CD2-OE1 3.66Å; H89-E91 IonicContact CE1-OE1 3.82Å; H89-E91 IonicContact NE2-OE1 2.78Å; H89-E91 PolarHBondContact NE2-OE1 3.37Å
90S97Very high96.6Very high22 Ų2269 Ų6915%0.15432%0.318CS..  trans-125.6137.6179.2176.30000111.4S79 R80 C83 S88 N92S79-S90 WeakPolarHBondContact O-CB 3.01Å; S79-S90 PolarHBondContact O-OG 2.03Å; R80-S90 WeakPolarHBondContact O-CA 3.45Å; C83-S90 PolarHBondContact O-OG 2.82Å; S88-S90 PolarHBondContact O-N 2.97Å; S90-N92 VanDerWaalsContact C-N 3.32Å; S90-N92 PolarHBondContact OG-N 2.92Å
91E97.9Very high96.7Very high90 Ų9065 Ų6542%0.42130%0.303SS..  trans-75.3-22.6168.1-57-59.314400112.7R80 Y81 H89 F93R80-E91 PolarHBondContact O-N 3.1Å; Y81-E91 HydrophobicContact CD1-CG 4.38Å; H89-E91 IonicContact CD2-OE1 3.66Å; H89-E91 IonicContact CE1-OE1 3.82Å; H89-E91 IonicContact NE2-OE1 2.78Å; H89-E91 PolarHBondContact NE2-OE1 3.37Å; E91-F93 HydrophobicContact CB-CD1 4.35Å; E91-F93 HydrophobicContact CB-CD2 4.06Å; E91-F93 HydrophobicContact CB-CE1 3.95Å; E91-F93 HydrophobicContact CB-CE2 3.63Å; E91-F93 HydrophobicContact CB-CG 4.39Å; E91-F93 HydrophobicContact CB-CZ 3.57Å; E91-F93 HydrophobicContact CG-CE2 4.04Å; E91-F93 HydrophobicContact CG-CZ 3.91Å; E91-F93 PolarHBondContact O-N 2.77Å
92N98.2Very high96.7Very high33 Ų3360.8 Ų60.818%0.17629%0.288CS..  trans46.248.2178.5-167.215.7000115Y81 W82 C83 N84 S90 C94 H95 V96Y81-N92 PolarHBondContact O-N 2.83Å; Y81-N92 VanDerWaalsContact O-N 3.13Å; W82-N92 CarbonylContact O-C 3.6Å; W82-N92 PolarHBondContact O-OD1 3.11Å; C83-N92 WeakPolarHBondContact CA-OD1 3.22Å; N84-N92 HydrophobicContact CB-CB 4.22Å; S90-N92 VanDerWaalsContact C-N 3.32Å; S90-N92 PolarHBondContact OG-N 2.92Å; N92-C94 PolarHBondContact O-N 3.35Å; N92-C94 VanDerWaalsContact O-N 3.12Å; N92-H95 PolarHBondContact O-N 2.89Å; N92-H95 WeakPolarHBondContact OD1-CA 3.46Å; N92-H95 PolarHBondContact OD1-N 2.98Å; N92-H95 VanDerWaalsContact OD1-N 3.16Å; N92-V96 PolarHBondContact OD1-N 3.24Å; N92-V96 PolarHBondContact OD1-O 2.89Å; N92-V96 VanDerWaalsContact OD1-O 3.12Å
93F98.3Very high96.5Very high105 Ų10560.3 Ų60.346%0.46129%0.293SS..THydrogen-bonded Turntrans-59.7-26.3-178.3-65.5-52.7000113.7Y81 W82 E91 H95Y81-F93 WeakPolarHBondContact O-CD2 3.23Å; Y81-F93 PolarHBondContact O-N 3.48Å; W82-F93 HydrophobicContact CE3-CB 3.78Å; W82-F93 HydrophobicContact CE3-CD2 4.18Å; W82-F93 HydrophobicContact CE3-CG 4.48Å; W82-F93 HydrophobicContact CZ3-CB 3.91Å; W82-F93 HydrophobicContact CZ3-CD2 4.15Å; W82-F93 HydrophobicContact CZ3-CG 4.44Å; E91-F93 HydrophobicContact CB-CD1 4.35Å; E91-F93 HydrophobicContact CB-CD2 4.06Å; E91-F93 HydrophobicContact CB-CE1 3.95Å; E91-F93 HydrophobicContact CB-CE2 3.63Å; E91-F93 HydrophobicContact CB-CG 4.39Å; E91-F93 HydrophobicContact CB-CZ 3.57Å; E91-F93 HydrophobicContact CG-CE2 4.04Å; E91-F93 HydrophobicContact CG-CZ 3.91Å; E91-F93 PolarHBondContact O-N 2.77Å; F93-H95 VanDerWaalsContact C-N 3.32Å; F93-H95 PolarHBondContact O-ND1 3.05Å
94C98.5Very high96.3Very high12 Ų1264.8 Ų64.88%0.08132%0.321CS..THydrogen-bonded Turntrans-77.8-17175.2-62.50000113.4W82 N92 V96 C112 K115W82-C94 WeakPolarHBondContact O-CA 3.32Å; W82-C94 WeakPolarHBondContact O-CB 3.45Å; W82-C94 PolarHBondContact O-N 2.76Å; N92-C94 PolarHBondContact O-N 3.35Å; N92-C94 VanDerWaalsContact O-N 3.12Å; C94-V96 HydrophobicContact CB-CB 4.48Å; C94-V96 HydrophobicContact CB-CG1 3.72Å; C94-C112 HydrophobicContact CB-CB 3.66Å; C94-C112 WeakPolarHBondContact CB-SG 3.35Å; C94-C112 WeakPolarHBondContact SG-CA 3.11Å; C94-C112 WeakPolarHBondContact SG-CB 3.2Å; C94-C112 CovalentContact SG-SG 2.04Å; C94-C112 PolarHBondContact SG-SG 3.49Å; C94-K115 HydrophobicContact CB-CD 4.36Å; C94-K115 PolarHBondContact O-NZ 3.36Å
95H98.2Very high96.2Very high157 Ų15767.9 Ų67.973%0.72734%0.338SS*.  trans58.451.1-173.5-55.787.8000112.2N92 F93N92-H95 PolarHBondContact O-N 2.89Å; N92-H95 WeakPolarHBondContact OD1-CA 3.46Å; N92-H95 PolarHBondContact OD1-N 2.98Å; N92-H95 VanDerWaalsContact OD1-N 3.16Å; F93-H95 VanDerWaalsContact C-N 3.32Å; F93-H95 PolarHBondContact O-ND1 3.05Å
96V98.5Very high96.2Very high14 Ų1467.4 Ų67.49%0.08534%0.336CS..  trans-140.7147.7-174.1710000110.8C83 N84 N92 C94 E100 L101C83-V96 WeakPolarHBondContact CA-O 3.4Å; C83-V96 HydrophobicContact CB-CG1 3.64Å; N84-V96 PolarHBondContact N-O 2.87Å; N92-V96 PolarHBondContact OD1-N 3.24Å; N92-V96 PolarHBondContact OD1-O 2.89Å; N92-V96 VanDerWaalsContact OD1-O 3.12Å; C94-V96 HydrophobicContact CB-CB 4.48Å; C94-V96 HydrophobicContact CB-CG1 3.72Å; V96-E100 HydrophobicContact CG2-CB 3.89Å; V96-E100 HydrophobicContact CG2-CG 4.28Å; V96-L101 HydrophobicContact CG1-CD2 4.1Å; V96-L101 HydrophobicContact CG2-CD2 4.29Å
97D98.2Very high96.3Very high54 Ų5462 Ų6229%0.28932%0.318SS..BIsolated β-bridgetrans-72.8132.7167.4-172.3-28.2000109.2N84 Q99 E100N84-D97 WeakPolarHBondContact O-CA 3.37Å; D97-Q99 PolarHBondContact O-N 3.46Å; D97-Q99 VanDerWaalsContact O-N 3.12Å; D97-Q99 WeakPolarHBondContact OD1-CB 3.38Å; D97-Q99 PolarHBondContact OD1-N 3.16Å; D97-E100 HydrophobicContact CB-CG 4.3Å; D97-E100 WeakPolarHBondContact O-CB 3.45Å; D97-E100 PolarHBondContact O-N 2.93Å
98C98.4Very high96.6Very high1 Ų157.5 Ų57.51%0.00730%0.3CS..G310 helixtrans-57.5-26.9176.9-65.80000112.6Y72 S79 C83 N84 D85 E100 L101Y72-C98 HydrophobicContact CD1-CB 3.76Å; Y72-C98 HydrophobicContact CD2-CB 3.64Å; Y72-C98 HydrophobicContact CE1-CB 3.77Å; Y72-C98 HydrophobicContact CE2-CB 3.61Å; Y72-C98 HydrophobicContact CG-CB 3.72Å; S79-C98 VanDerWaalsContact CB-SG 3.5Å; C83-C98 HydrophobicContact CB-CB 3.94Å; C83-C98 WeakPolarHBondContact CB-SG 3.43Å; C83-C98 PolarHBondContact O-SG 2.91Å; C83-C98 VanDerWaalsContact O-SG 3.34Å; C83-C98 WeakPolarHBondContact SG-CA 3.33Å; C83-C98 WeakPolarHBondContact SG-CB 3.4Å; C83-C98 CovalentContact SG-SG 2.04Å; C83-C98 PolarHBondContact SG-SG 3.09Å; N84-C98 PolarHBondContact O-N 3.12Å; D85-C98 HydrophobicContact CB-CB 4.04Å; D85-C98 PolarHBondContact N-SG 3.14Å; C98-E100 VanDerWaalsContact C-N 3.26Å; C98-E100 PolarHBondContact O-N 3.42Å; C98-L101 WeakPolarHBondContact O-CB 3.49Å; C98-L101 PolarHBondContact O-N 2.95Å; C98-L101 VanDerWaalsContact O-N 3.1Å
99Q97.6Very high97.4Very high124 Ų12455.7 Ų55.758%0.57929%0.288SS*.G310 helixtrans-64-29.5175.8-172.957.254.300112.9D97 L101 L102D97-Q99 PolarHBondContact O-N 3.46Å; D97-Q99 VanDerWaalsContact O-N 3.12Å; D97-Q99 WeakPolarHBondContact OD1-CB 3.38Å; D97-Q99 PolarHBondContact OD1-N 3.16Å; Q99-L101 PolarHBondContact O-N 3.06Å; Q99-L102 PolarHBondContact O-N 3.23Å
100E98.1Very high97.8Very high92 Ų9250.5 Ų50.543%0.4326%0.264SS..G310 helixtrans-67.1-25.9175.1-67.1-177.9-129.800112.1V96 D97 C98 L102 S103 S108V96-E100 HydrophobicContact CG2-CB 3.89Å; V96-E100 HydrophobicContact CG2-CG 4.28Å; D97-E100 HydrophobicContact CB-CG 4.3Å; D97-E100 WeakPolarHBondContact O-CB 3.45Å; D97-E100 PolarHBondContact O-N 2.93Å; C98-E100 VanDerWaalsContact C-N 3.26Å; C98-E100 PolarHBondContact O-N 3.42Å; E100-L102 PolarHBondContact O-N 3.25Å; E100-S103 WeakPolarHBondContact O-CB 3.49Å; E100-S103 PolarHBondContact O-N 3.12Å; E100-S108 PolarHBondContact OE2-OG 2.72Å; E100-S108 VanDerWaalsContact OE2-OG 3.14Å
101L98.4Very high97.8Very high0 Ų054.3 Ų54.30%028%0.279CS..G310 helixtrans-74.8-10.9-179.3-50.9-173.3000113.3I77 C83 V96 C98 Q99 T109I77-L101 HydrophobicContact CB-CD1 3.84Å; I77-L101 HydrophobicContact CD1-CD1 4.19Å; I77-L101 HydrophobicContact CG2-CD1 3.77Å; C83-L101 HydrophobicContact CB-CD1 3.78Å; V96-L101 HydrophobicContact CG1-CD2 4.1Å; V96-L101 HydrophobicContact CG2-CD2 4.29Å; C98-L101 WeakPolarHBondContact O-CB 3.49Å; C98-L101 PolarHBondContact O-N 2.95Å; C98-L101 VanDerWaalsContact O-N 3.1Å; Q99-L101 PolarHBondContact O-N 3.06Å; L101-T109 WeakPolarHBondContact CA-OG1 3.21Å; L101-T109 PolarHBondContact O-OG1 3.29Å
102L98Very high97.9Very high23 Ų2350.1 Ų50.112%0.1226%0.26CS..G310 helixtrans-93.33.6174.8-53.6179000112.5S60 V62 Y72 Q99 E100S60-L102 PolarHBondContact OG-O 2.94Å; V62-L102 HydrophobicContact CG2-CD1 3.73Å; V62-L102 HydrophobicContact CG2-CD2 3.66Å; V62-L102 HydrophobicContact CG2-CG 4.35Å; Y72-L102 HydrophobicContact CD1-CD1 4.01Å; Y72-L102 HydrophobicContact CD1-CD2 4.01Å; Y72-L102 HydrophobicContact CD1-CG 4.05Å; Y72-L102 HydrophobicContact CE1-CD1 4.4Å; Q99-L102 PolarHBondContact O-N 3.23Å; E100-L102 PolarHBondContact O-N 3.25Å
103S95.2Very high97.9Very high44 Ų4448.6 Ų48.631%0.30825%0.251SS..SBendtrans-73.2141.4-179.3-175.90000111.6E100 N105E100-S103 WeakPolarHBondContact O-CB 3.49Å; E100-S103 PolarHBondContact O-N 3.12Å; S103-N105 PolarHBondContact O-N 2.04Å; S103-N105 PolarHBondContact OG-N 3.36Å; S103-N105 VanDerWaalsContact OG-N 3.14Å
104P94.4Very high97.9Very high93 Ų9345.5 Ų45.560%0.60424%0.238SC*.SBendtrans-59.7-22.3166-22.633.2000113.4I59 L106I59-P104 HydrophobicContact CD1-CB 4.09Å; I59-P104 HydrophobicContact CD1-CG 4.25Å; P104-L106 PolarHBondContact O-N 3.23Å
105N95.8Very high98Very high98 Ų9849.8 Ų49.852%0.52426%0.255SS..SBendtrans-81.3103.2168.1-177.9-9.8000109.3S103 I107S103-N105 PolarHBondContact O-N 2.04Å; S103-N105 PolarHBondContact OG-N 3.36Å; S103-N105 VanDerWaalsContact OG-N 3.14Å; N105-I107 PolarHBondContact O-N 3.48Å; N105-I107 WeakPolarHBondContact OD1-CB 3.07Å; N105-I107 WeakPolarHBondContact OD1-CG1 3.25Å; N105-I107 PolarHBondContact OD1-N 3.14Å
106L97.9Very high98Very high7 Ų742.4 Ų42.44%0.03722%0.221CC..THydrogen-bonded Turntrans-77.12.6-172.6-62.1179.7000114.8I22 L27 I30 I59 I74 P104 S108 T109 I110I22-L106 HydrophobicContact CD1-CD1 4.01Å; L27-L106 HydrophobicContact CD1-CD1 3.62Å; I30-L106 HydrophobicContact CD1-CD1 4.31Å; I59-L106 HydrophobicContact CB-CD2 4.3Å; I59-L106 HydrophobicContact CG2-CD2 4.22Å; I74-L106 HydrophobicContact CG2-CD2 4.44Å; P104-L106 PolarHBondContact O-N 3.23Å; L106-S108 PolarHBondContact O-N 2.92Å; L106-T109 WeakPolarHBondContact O-CB 3.08Å; L106-T109 PolarHBondContact O-N 3.1Å; L106-I110 HydrophobicContact CB-CD1 3.87Å; L106-I110 HydrophobicContact CB-CG1 4.25Å; L106-I110 WeakPolarHBondContact O-CB 3.38Å; L106-I110 VanDerWaalsContact O-CG1 3.26Å; L106-I110 WeakPolarHBondContact O-CG1 3.02Å; L106-I110 PolarHBondContact O-N 3.37Å
107I98.4Very high98Very high54 Ų5442 Ų4228%0.27722%0.218SC..Hα-helixtrans-58.7-50.3-174.1-63.8-68.6000112.3E34 N105 T109 I110 H111E34-I107 HydrophobicContact CG-CD1 3.97Å; E34-I107 WeakPolarHBondContact OE1-CD1 3.03Å; E34-I107 VanDerWaalsContact OE2-CD1 3.23Å; E34-I107 WeakPolarHBondContact OE2-CD1 3.09Å; N105-I107 PolarHBondContact O-N 3.48Å; N105-I107 WeakPolarHBondContact OD1-CB 3.07Å; N105-I107 WeakPolarHBondContact OD1-CG1 3.25Å; N105-I107 PolarHBondContact OD1-N 3.14Å; I107-T109 VanDerWaalsContact C-N 3.3Å; I107-T109 PolarHBondContact O-N 2.04Å; I107-I110 PolarHBondContact O-N 3.34Å; I107-H111 WeakPolarHBondContact O-CB 3.44Å; I107-H111 PolarHBondContact O-N 3.41Å
108S98.5Very high98Very high36 Ų3642.5 Ų42.525%0.25223%0.226SC..Hα-helixtrans-60.7-40.8178.1-640000111.5E100 L106 C112E100-S108 PolarHBondContact OE2-OG 2.72Å; E100-S108 VanDerWaalsContact OE2-OG 3.14Å; L106-S108 PolarHBondContact O-N 2.92Å; S108-C112 WeakPolarHBondContact O-CB 3.48Å; S108-C112 PolarHBondContact O-N 3.46Å
109T98.8Very high97.9Very high0 Ų043.6 Ų43.60%024%0.238CC..Hα-helixtrans-62.3-45.8175.9-57.30000112.4I74 F75 I77 L101 L106 I107 C112 A113I74-T109 HydrophobicContact CG2-CG2 3.95Å; F75-T109 HydrophobicContact CD2-CG2 3.81Å; F75-T109 HydrophobicContact CE2-CG2 4.38Å; I77-T109 HydrophobicContact CD1-CG2 4.22Å; L101-T109 WeakPolarHBondContact CA-OG1 3.21Å; L101-T109 PolarHBondContact O-OG1 3.29Å; L106-T109 WeakPolarHBondContact O-CB 3.08Å; L106-T109 PolarHBondContact O-N 3.1Å; I107-T109 VanDerWaalsContact C-N 3.3Å; I107-T109 PolarHBondContact O-N 2.04Å; T109-C112 PolarHBondContact O-N 2.82Å; T109-A113 WeakPolarHBondContact O-CB 3.47Å; T109-A113 PolarHBondContact O-N 3.09Å
110I98.9Very high97.8Very high1 Ų143.8 Ų43.81%0.00525%0.249CC..Hα-helixtrans-67.3-44.6179.8-72.5168.4000110.9I30 L31 E34 L36 L106 I107 C112 A113 K114I30-I110 HydrophobicContact CG2-CD1 3.74Å; L31-I110 HydrophobicContact CD2-CD1 4.07Å; L31-I110 HydrophobicContact CD2-CG1 4.13Å; E34-I110 HydrophobicContact CB-CD1 4.16Å; E34-I110 HydrophobicContact CB-CG2 4.03Å; E34-I110 HydrophobicContact CG-CD1 3.87Å; L36-I110 HydrophobicContact CD1-CG2 4.36Å; L36-I110 HydrophobicContact CD2-CG2 3.56Å; L36-I110 HydrophobicContact CG-CG2 4.17Å; L106-I110 HydrophobicContact CB-CD1 3.87Å; L106-I110 HydrophobicContact CB-CG1 4.25Å; L106-I110 WeakPolarHBondContact O-CB 3.38Å; L106-I110 VanDerWaalsContact O-CG1 3.26Å; L106-I110 WeakPolarHBondContact O-CG1 3.02Å; L106-I110 PolarHBondContact O-N 3.37Å; I107-I110 PolarHBondContact O-N 3.34Å; I110-C112 VanDerWaalsContact C-N 3.32Å; I110-C112 PolarHBondContact O-N 3.13Å; I110-A113 PolarHBondContact O-N 2.87Å; I110-K114 WeakPolarHBondContact O-CG 3.47Å; I110-K114 PolarHBondContact O-N 2.71Å
111H98.7Very high97.7Very high103 Ų10341.5 Ų41.548%0.47725%0.251SS..Hα-helixtrans-59.9-42.8176.1-78.8-166.5000112.2I107 K114 K115I107-H111 WeakPolarHBondContact O-CB 3.44Å; I107-H111 PolarHBondContact O-N 3.41Å; H111-K114 PolarHBondContact O-N 2.97Å; H111-K115 PolarHBondContact O-N 3.49Å
112C98.8Very high97.7Very high2 Ų241.9 Ų41.91%0.01425%0.254CS..Hα-helixtrans-66.5-44176.4-172.80000111.3I77 C94 S108 T109 I110 K114 K115 I116I77-C112 HydrophobicContact CD1-CB 3.98Å; C94-C112 HydrophobicContact CB-CB 3.66Å; C94-C112 WeakPolarHBondContact CB-SG 3.35Å; C94-C112 WeakPolarHBondContact SG-CA 3.11Å; C94-C112 WeakPolarHBondContact SG-CB 3.2Å; C94-C112 CovalentContact SG-SG 2.04Å; C94-C112 PolarHBondContact SG-SG 3.49Å; S108-C112 WeakPolarHBondContact O-CB 3.48Å; S108-C112 PolarHBondContact O-N 3.46Å; T109-C112 PolarHBondContact O-N 2.82Å; I110-C112 VanDerWaalsContact C-N 3.32Å; I110-C112 PolarHBondContact O-N 3.13Å; C112-K114 VanDerWaalsContact C-N 3.34Å; C112-K114 PolarHBondContact O-N 2.76Å; C112-K115 WeakPolarHBondContact O-CB 3.11Å; C112-K115 PolarHBondContact O-N 3.25Å; C112-K115 VanDerWaalsContact O-N 3.09Å; C112-I116 WeakPolarHBondContact O-CG1 3.45Å; C112-I116 PolarHBondContact O-N 3.06Å
113A98.8Very high97.7Very high0 Ų040.8 Ų40.80%025%0.249CC..Hα-helixtrans-60.6-39.5176.300000113W47 F75 T109 I110 K115 I116 V117 W126W47-A113 HydrophobicContact CH2-CB 4.34Å; W47-A113 HydrophobicContact CZ3-CB 3.9Å; F75-A113 HydrophobicContact CD2-CB 3.76Å; F75-A113 HydrophobicContact CE2-CB 4.04Å; T109-A113 WeakPolarHBondContact O-CB 3.47Å; T109-A113 PolarHBondContact O-N 3.09Å; I110-A113 PolarHBondContact O-N 2.87Å; A113-K115 VanDerWaalsContact C-N 3.35Å; A113-K115 PolarHBondContact O-N 3.05Å; A113-I116 PolarHBondContact O-N 3.36Å; A113-V117 WeakPolarHBondContact O-CB 3.31Å; A113-V117 WeakPolarHBondContact O-CG2 3.35Å; A113-V117 PolarHBondContact O-N 2.9Å; A113-W126 HydrophobicContact CB-CH2 4.49Å
114K98.8Very high97.8Very high41 Ų4144 Ų4418%0.17826%0.257CS..Hα-helixtrans-57.3-45.7171.6-76.1-172.8178.9-178.70111.8E34 L36 F39 I110 H111 C112 I116 V117 S118E34-K114 VanDerWaalsContact O-CE 3.32Å; E34-K114 WeakPolarHBondContact O-CE 3.45Å; E34-K114 PolarHBondContact O-NZ 3.27Å; L36-K114 HydrophobicContact CD1-CG 4.1Å; L36-K114 HydrophobicContact CD2-CD 4.43Å; L36-K114 HydrophobicContact CD2-CG 4.48Å; F39-K114 HydrophobicContact CD1-CG 4.24Å; F39-K114 HydrophobicContact CD2-CD 4.35Å; F39-K114 HydrophobicContact CD2-CG 4.45Å; F39-K114 HydrophobicContact CE1-CB 3.85Å; F39-K114 HydrophobicContact CE1-CG 3.84Å; F39-K114 HydrophobicContact CE2-CB 4.38Å; F39-K114 HydrophobicContact CE2-CD 3.95Å; F39-K114 HydrophobicContact CE2-CG 4.08Å; F39-K114 HydrophobicContact CZ-CB 3.67Å; F39-K114 HydrophobicContact CZ-CD 4.1Å; F39-K114 HydrophobicContact CZ-CG 3.76Å; I110-K114 WeakPolarHBondContact O-CG 3.47Å; I110-K114 PolarHBondContact O-N 2.71Å; H111-K114 PolarHBondContact O-N 2.97Å; C112-K114 VanDerWaalsContact C-N 3.34Å; C112-K114 PolarHBondContact O-N 2.76Å; K114-I116 VanDerWaalsContact C-N 3.33Å; K114-I116 PolarHBondContact O-N 2.93Å; K114-V117 PolarHBondContact O-N 3.27Å; K114-S118 PolarHBondContact O-N 3.22Å; K114-S118 PolarHBondContact O-OG 3.08Å
115K98.6Very high98Very high101 Ų10143.6 Ų43.644%0.43925%0.25SC..Hα-helixtrans-60.1-41.9177.1-72.9179.6174.7-176.30112.3C94 H111 C112 A113 G119C94-K115 HydrophobicContact CB-CD 4.36Å; C94-K115 PolarHBondContact O-NZ 3.36Å; H111-K115 PolarHBondContact O-N 3.49Å; C112-K115 WeakPolarHBondContact O-CB 3.11Å; C112-K115 PolarHBondContact O-N 3.25Å; C112-K115 VanDerWaalsContact O-N 3.09Å; A113-K115 VanDerWaalsContact C-N 3.35Å; A113-K115 PolarHBondContact O-N 3.05Å; K115-G119 PolarHBondContact O-N 3.29Å
116I98.6Very high98.1Very high3 Ų339.7 Ų39.72%0.01523%0.228CC..Hα-helixtrans-62.8-46.8176.5-59.1169.7000110.1I77 W82 C112 A113 K114 G119 N125 W126I77-I116 HydrophobicContact CD1-CD1 4.4Å; I77-I116 HydrophobicContact CG1-CD1 4.14Å; I77-I116 HydrophobicContact CG2-CD1 4.23Å; W82-I116 HydrophobicContact CB-CD1 4.48Å; W82-I116 HydrophobicContact CD2-CD1 3.82Å; W82-I116 HydrophobicContact CD2-CG1 3.47Å; W82-I116 VanDerWaalsContact CD2-CG1 3.47Å; W82-I116 HydrophobicContact CE3-CD1 4.31Å; W82-I116 HydrophobicContact CE3-CG1 3.54Å; W82-I116 HydrophobicContact CG-CD1 3.85Å; W82-I116 HydrophobicContact CG-CG1 4.06Å; W82-I116 HydrophobicContact CH2-CB 4.22Å; W82-I116 HydrophobicContact CH2-CG1 3.87Å; W82-I116 HydrophobicContact CH2-CG2 4.26Å; W82-I116 HydrophobicContact CZ2-CB 4.23Å; W82-I116 HydrophobicContact CZ2-CG1 3.8Å; W82-I116 HydrophobicContact CZ2-CG2 3.88Å; W82-I116 HydrophobicContact CZ3-CB 4.44Å; W82-I116 HydrophobicContact CZ3-CG1 3.74Å; C112-I116 WeakPolarHBondContact O-CG1 3.45Å; C112-I116 PolarHBondContact O-N 3.06Å; A113-I116 PolarHBondContact O-N 3.36Å; K114-I116 VanDerWaalsContact C-N 3.33Å; K114-I116 PolarHBondContact O-N 2.93Å; I116-G119 WeakPolarHBondContact O-CA 3.19Å; I116-G119 PolarHBondContact O-N 3.11Å; I116-N125 HydrophobicContact CG2-CB 4.17Å; I116-W126 HydrophobicContact CB-CH2 3.61Å; I116-W126 HydrophobicContact CB-CZ2 4.38Å; I116-W126 HydrophobicContact CB-CZ3 4.13Å; I116-W126 HydrophobicContact CD1-CH2 3.84Å; I116-W126 HydrophobicContact CD1-CZ2 3.71Å; I116-W126 HydrophobicContact CG1-CH2 4.31Å; I116-W126 HydrophobicContact CG2-CE3 4.34Å; I116-W126 HydrophobicContact CG2-CH2 3.39Å; I116-W126 HydrophobicContact CG2-CZ2 4.13Å; I116-W126 HydrophobicContact CG2-CZ3 3.49Å; I116-W126 VanDerWaalsContact CG2-CZ3 3.49Å
117V98.6Very high98.1Very high4 Ų444 Ų442%0.02425%0.254CS..Hα-helixtrans-71.2-32.1-175.4171.40000113.2F39 E40 Y42 W47 A113 K114 G119 G122 M123 W126F39-V117 HydrophobicContact CD1-CB 4.49Å; F39-V117 HydrophobicContact CD1-CG1 4.04Å; F39-V117 HydrophobicContact CE1-CB 4.17Å; F39-V117 HydrophobicContact CE1-CG1 4.05Å; E40-V117 HydrophobicContact CB-CG1 3.75Å; E40-V117 HydrophobicContact CG-CG1 4.01Å; Y42-V117 HydrophobicContact CD2-CG1 3.59Å; Y42-V117 HydrophobicContact CE2-CG1 3.66Å; W47-V117 HydrophobicContact CH2-CB 4.19Å; W47-V117 HydrophobicContact CH2-CG2 3.56Å; W47-V117 HydrophobicContact CZ2-CG1 4.45Å; W47-V117 HydrophobicContact CZ2-CG2 4.21Å; W47-V117 HydrophobicContact CZ3-CG2 4.28Å; A113-V117 WeakPolarHBondContact O-CB 3.31Å; A113-V117 WeakPolarHBondContact O-CG2 3.35Å; A113-V117 PolarHBondContact O-N 2.9Å; K114-V117 PolarHBondContact O-N 3.27Å; V117-G119 PolarHBondContact O-N 3Å; V117-G122 WeakPolarHBondContact O-CA 3.45Å; V117-M123 HydrophobicContact CG2-CG 3.86Å; V117-W126 HydrophobicContact CG2-CH2 4Å; V117-W126 HydrophobicContact CG2-CZ3 3.64Å
118S98.4Very high98.1Very high66 Ų6645 Ų4546%0.46226%0.258SS..THydrogen-bonded Turntrans-72-11.6169.8-66.80000113.2F39 E40 K114F39-S118 WeakPolarHBondContact CZ-OG 3.44Å; E40-S118 WeakPolarHBondContact OE1-CB 3.34Å; E40-S118 PolarHBondContact OE1-OG 3.46Å; K114-S118 PolarHBondContact O-N 3.22Å; K114-S118 PolarHBondContact O-OG 3.08Å
119G97Very high98.1Very high24 Ų2443.4 Ų43.425%0.24725%0.246CC..SBendtrans-79.1171.9175.200000113.5K115 I116 V117 G121 G122K115-G119 PolarHBondContact O-N 3.29Å; I116-G119 WeakPolarHBondContact O-CA 3.19Å; I116-G119 PolarHBondContact O-N 3.11Å; V117-G119 PolarHBondContact O-N 3Å; G119-G121 PolarHBondContact O-N 3.27Å; G119-G122 PolarHBondContact O-N 2.89Å
120P95.8Very high98.1Very high127 Ų12749 Ų4983%0.82527%0.27SS*.THydrogen-bonded Turntrans-53.9129.2174.8-2534.6000112N125P120-N125 PolarHBondContact O-ND2 2.67Å
121G95.5Very high98.1Very high45 Ų4553.6 Ų53.646%0.46430%0.295SS..THydrogen-bonded Turntrans92.2-16.9177.200000115.4G119 M123 K124G119-G121 PolarHBondContact O-N 3.27Å; G121-M123 PolarHBondContact O-N 3.16Å; G121-K124 WeakPolarHBondContact O-CB 3.46Å; G121-K124 WeakPolarHBondContact O-CG 3.05Å; G121-K124 PolarHBondContact O-N 3.13Å
122G97.9Very high98.1Very high7 Ų753.1 Ų53.17%0.07229%0.293CS..G310 helixtrans55.6-134.8178.700000112.9V117 G119 K124 N125V117-G122 WeakPolarHBondContact O-CA 3.45Å; G119-G122 PolarHBondContact O-N 2.89Å; G122-K124 PolarHBondContact O-N 3.02Å; G122-K124 VanDerWaalsContact O-N 3.11Å; G122-N125 PolarHBondContact O-N 3.05Å; G122-N125 PolarHBondContact O-ND2 2.8Å
123M98.5Very high98.1Very high0 Ų053.1 Ų53.10%029%0.292CS..G310 helixtrans-64.8-11.4175.6-71.9-170.8172.600114.4Y42 D46 W47 V117 G121 N125 W126 W129Y42-M123 HydrophobicContact CD1-CB 4.21Å; Y42-M123 HydrophobicContact CD1-CE 4.25Å; Y42-M123 HydrophobicContact CD1-CG 3.84Å; Y42-M123 HydrophobicContact CD1-SD 3.43Å; Y42-M123 WeakPolarHBondContact CD1-SD 3.32Å; Y42-M123 HydrophobicContact CD2-CG 4.05Å; Y42-M123 HydrophobicContact CD2-SD 4.39Å; Y42-M123 HydrophobicContact CE1-CB 3.67Å; Y42-M123 HydrophobicContact CE1-CG 3.79Å; Y42-M123 HydrophobicContact CE1-SD 3.88Å; Y42-M123 HydrophobicContact CE2-CB 4.3Å; Y42-M123 HydrophobicContact CE2-CG 4Å; Y42-M123 HydrophobicContact CG-CE 3.93Å; Y42-M123 HydrophobicContact CG-CG 3.95Å; Y42-M123 HydrophobicContact CG-SD 3.7Å; Y42-M123 PolarHBondContact OH-N 3.09Å; Y42-M123 VanDerWaalsContact OH-N 3.08Å; D46-M123 HydrophobicContact CB-CE 4.13Å; D46-M123 HydrophobicContact CB-SD 3.83Å; W47-M123 HydrophobicContact CB-CE 4.44Å; W47-M123 HydrophobicContact CD2-CE 3.11Å; W47-M123 HydrophobicContact CE3-CE 3.41Å; W47-M123 VanDerWaalsContact CE3-CE 3.41Å; W47-M123 HydrophobicContact CG-CE 3.63Å; W47-M123 HydrophobicContact CH2-CE 3.78Å; W47-M123 HydrophobicContact CZ2-CE 3.49Å; W47-M123 VanDerWaalsContact CZ2-CE 3.49Å; W47-M123 HydrophobicContact CZ3-CE 3.73Å; V117-M123 HydrophobicContact CG2-CG 3.86Å; G121-M123 PolarHBondContact O-N 3.16Å; M123-N125 PolarHBondContact O-N 2.89Å; M123-N125 VanDerWaalsContact O-N 3.16Å; M123-W126 HydrophobicContact CB-CE3 4.46Å; M123-W126 PolarHBondContact O-N 3.26Å; M123-W126 VanDerWaalsContact O-N 3.09Å; M123-W129 HydrophobicContact CB-CD2 3.75Å; M123-W129 HydrophobicContact CB-CE3 3.67Å; M123-W129 HydrophobicContact CB-CG 4.45Å; M123-W129 HydrophobicContact CB-CH2 4.04Å; M123-W129 HydrophobicContact CB-CZ2 4.08Å; M123-W129 HydrophobicContact CB-CZ3 3.83Å; M123-W129 HydrophobicContact SD-CD2 4.21Å; M123-W129 VanDerWaalsContact SD-CE2 3.55Å; M123-W129 HydrophobicContact SD-CZ2 3.77Å
124K98Very high98Very high112 Ų11256.8 Ų56.849%0.48731%0.312SS..G310 helixtrans-70.7-7.5177.1-57.2170.9-177.9168.20113G121 G122 W129G121-K124 WeakPolarHBondContact O-CB 3.46Å; G121-K124 WeakPolarHBondContact O-CG 3.05Å; G121-K124 PolarHBondContact O-N 3.13Å; G122-K124 PolarHBondContact O-N 3.02Å; G122-K124 VanDerWaalsContact O-N 3.11Å; K124-W129 HydrophobicContact CG-CZ3 4.25Å
125N97.5Very high97.9Very high84 Ų8458.9 Ų58.945%0.44934%0.344SS..G310 helixtrans-67.9-22.6169.2-72.5-65.8000112.3I116 P120 G122 M123I116-N125 HydrophobicContact CG2-CB 4.17Å; P120-N125 PolarHBondContact O-ND2 2.67Å; G122-N125 PolarHBondContact O-N 3.05Å; G122-N125 PolarHBondContact O-ND2 2.8Å; M123-N125 PolarHBondContact O-N 2.89Å; M123-N125 VanDerWaalsContact O-N 3.16Å
126W98.5Very high97.9Very high16 Ų1660.8 Ų60.86%0.06135%0.349CS..SBendtrans-89.7113170.6-72-89.1000110.5L50 E54 F75 A113 I116 V117 M123 W129 K130L50-W126 HydrophobicContact CD1-CB 3.6Å; L50-W126 HydrophobicContact CD1-CD2 3.86Å; L50-W126 HydrophobicContact CD1-CG 3.42Å; L50-W126 VanDerWaalsContact CD1-CG 3.42Å; L50-W126 HydrophobicContact CD2-CD2 4.17Å; L50-W126 HydrophobicContact CD2-CE3 4.41Å; L50-W126 HydrophobicContact CD2-CZ2 4.37Å; E54-W126 WeakPolarHBondContact OE1-CB 3.49Å; F75-W126 HydrophobicContact CB-CZ2 4.47Å; F75-W126 PolarHBondContact O-NE1 2.82Å; A113-W126 HydrophobicContact CB-CH2 4.49Å; I116-W126 HydrophobicContact CB-CH2 3.61Å; I116-W126 HydrophobicContact CB-CZ2 4.38Å; I116-W126 HydrophobicContact CB-CZ3 4.13Å; I116-W126 HydrophobicContact CD1-CH2 3.84Å; I116-W126 HydrophobicContact CD1-CZ2 3.71Å; I116-W126 HydrophobicContact CG1-CH2 4.31Å; I116-W126 HydrophobicContact CG2-CE3 4.34Å; I116-W126 HydrophobicContact CG2-CH2 3.39Å; I116-W126 HydrophobicContact CG2-CZ2 4.13Å; I116-W126 HydrophobicContact CG2-CZ3 3.49Å; I116-W126 VanDerWaalsContact CG2-CZ3 3.49Å; V117-W126 HydrophobicContact CG2-CH2 4Å; V117-W126 HydrophobicContact CG2-CZ3 3.64Å; M123-W126 HydrophobicContact CB-CE3 4.46Å; M123-W126 PolarHBondContact O-N 3.26Å; M123-W126 VanDerWaalsContact O-N 3.09Å; W126-W129 HydrophobicContact CB-CB 3.85Å; W126-W129 PolarHBondContact O-N 3.33Å; W126-K130 WeakPolarHBondContact O-CB 3.5Å; W126-K130 PolarHBondContact O-N 3.45Å
127V97.7Very high97.8Very high98 Ų9865.6 Ų65.659%0.59438%0.38SS*.Hα-helixtrans-63.9-44.4-176.1175.60000110.7W129 K130 L131V127-W129 PolarHBondContact O-N 3.18Å; V127-K130 WeakPolarHBondContact O-CB 3.12Å; V127-K130 PolarHBondContact O-N 3.39Å; V127-L131 HydrophobicContact CG1-CD1 3.95Å; V127-L131 HydrophobicContact CG1-CG 4.47Å; V127-L131 WeakPolarHBondContact O-CG 3.39Å; V127-L131 PolarHBondContact O-N 3.45Å
128E98.3Very high97.8Very high74 Ų7466 Ų6635%0.34638%0.382SS..Hα-helixtrans-64.3-43.6-179.4-63.9-57.2136.500111.2V53 E54 K130 L131 H132V53-E128 HydrophobicContact CB-CB 4.13Å; V53-E128 HydrophobicContact CG2-CB 3.75Å; E54-E128 WeakPolarHBondContact OE1-CB 3.41Å; E128-K130 VanDerWaalsContact C-N 3.33Å; E128-K130 PolarHBondContact O-N 3.21Å; E128-L131 PolarHBondContact O-N 3.34Å; E128-H132 WeakPolarHBondContact O-CB 3.4Å; E128-H132 PolarHBondContact O-CD2 2.81Å; E128-H132 PolarHBondContact O-N 3.41Å; E128-H132 IonicContact OE2-CD2 3.27Å; E128-H132 PolarHBondContact OE2-CD2 2.87Å; E128-H132 VanDerWaalsContact OE2-CD2 3.27Å; E128-H132 IonicContact OE2-NE2 3.45Å; E128-H132 PolarHBondContact OE2-NE2 3.03Å
129W98.7Very high97.8Very high3 Ų367.3 Ų67.31%0.01139%0.391CS..Hα-helixtrans-59.7-43.2174.3-176.291000112.4Y42 D46 L50 M123 K124 W126 V127 L131 H132 C133 L134Y42-W129 HydrophobicContact CD1-CH2 4.26Å; Y42-W129 HydrophobicContact CD1-CZ2 4.08Å; Y42-W129 AromaticContact CE1-CH2 3.64Å; Y42-W129 HydrophobicContact CE1-CH2 3.64Å; Y42-W129 AromaticContact CE1-CZ2 3.91Å; Y42-W129 HydrophobicContact CE1-CZ2 3.91Å; Y42-W129 HydrophobicContact CE1-CZ3 4.4Å; D46-W129 HydrophobicContact CB-CZ2 4.2Å; D46-W129 PolarHBondContact O-NE1 3.14Å; D46-W129 VanDerWaalsContact O-NE1 3.13Å; L50-W129 HydrophobicContact CB-CG 4.4Å; L50-W129 HydrophobicContact CD1-CB 3.68Å; L50-W129 HydrophobicContact CD1-CG 4.17Å; M123-W129 HydrophobicContact CB-CD2 3.75Å; M123-W129 HydrophobicContact CB-CE3 3.67Å; M123-W129 HydrophobicContact CB-CG 4.45Å; M123-W129 HydrophobicContact CB-CH2 4.04Å; M123-W129 HydrophobicContact CB-CZ2 4.08Å; M123-W129 HydrophobicContact CB-CZ3 3.83Å; M123-W129 HydrophobicContact SD-CD2 4.21Å; M123-W129 VanDerWaalsContact SD-CE2 3.55Å; M123-W129 HydrophobicContact SD-CZ2 3.77Å; K124-W129 HydrophobicContact CG-CZ3 4.25Å; W126-W129 HydrophobicContact CB-CB 3.85Å; W126-W129 PolarHBondContact O-N 3.33Å; V127-W129 PolarHBondContact O-N 3.18Å; W129-L131 VanDerWaalsContact C-N 3.27Å; W129-L131 PolarHBondContact O-N 2.86Å; W129-H132 PolarHBondContact O-N 3.06Å; W129-C133 VanDerWaalsContact CD1-CB 3.41Å; W129-C133 HydrophobicContact CD2-CB 4Å; W129-C133 HydrophobicContact CG-CB 3.8Å; W129-C133 HydrophobicContact CZ2-CB 4.46Å; W129-C133 WeakPolarHBondContact O-CA 3.1Å; W129-C133 WeakPolarHBondContact O-CB 3.22Å; W129-C133 PolarHBondContact O-N 2.66Å; W129-L134 HydrophobicContact CE3-CB 4.35Å; W129-L134 HydrophobicContact CH2-CB 4.08Å; W129-L134 HydrophobicContact CH2-CD1 3.73Å; W129-L134 HydrophobicContact CH2-CG 4.47Å; W129-L134 HydrophobicContact CZ3-CB 3.81Å; W129-L134 HydrophobicContact CZ3-CD1 3.88Å; W129-L134 HydrophobicContact CZ3-CG 4.28Å; W129-L134 PolarHBondContact O-N 2.75Å; W129-L134 VanDerWaalsContact O-N 3.14Å
130K98.4Very high97.8Very high117 Ų11771.9 Ų71.951%0.50940%0.402SS..Hα-helixtrans-61.5-35.8177.9-178.3-179.4174-174.20112.3W126 V127 E128 L134W126-K130 WeakPolarHBondContact O-CB 3.5Å; W126-K130 PolarHBondContact O-N 3.45Å; V127-K130 WeakPolarHBondContact O-CB 3.12Å; V127-K130 PolarHBondContact O-N 3.39Å; E128-K130 VanDerWaalsContact C-N 3.33Å; E128-K130 PolarHBondContact O-N 3.21Å; K130-L134 HydrophobicContact CG-CD2 4.2Å; K130-L134 WeakPolarHBondContact O-CB 3.48Å
131L98.5Very high97.9Very high98 Ų9866.9 Ų66.951%0.51337%0.367SS..Hα-helixtrans-80.8-38.3-179.7-67.6174000112.8V127 E128 W129 R136V127-L131 HydrophobicContact CG1-CD1 3.95Å; V127-L131 HydrophobicContact CG1-CG 4.47Å; V127-L131 WeakPolarHBondContact O-CG 3.39Å; V127-L131 PolarHBondContact O-N 3.45Å; E128-L131 PolarHBondContact O-N 3.34Å; W129-L131 VanDerWaalsContact C-N 3.27Å; W129-L131 PolarHBondContact O-N 2.86Å; L131-R136 PolarHBondContact O-NH2 3.09Å; L131-R136 VanDerWaalsContact O-NH2 3.09Å
132H98.5Very high98Very high94 Ų9466.9 Ų66.944%0.43536%0.355SS..Hα-helixtrans-108.5-16.2-166.4-67.4-73.3000114.7V53 E128 W129 R136V53-H132 HydrophobicContact CG1-CB 3.76Å; E128-H132 WeakPolarHBondContact O-CB 3.4Å; E128-H132 PolarHBondContact O-CD2 2.81Å; E128-H132 PolarHBondContact O-N 3.41Å; E128-H132 IonicContact OE2-CD2 3.27Å; E128-H132 PolarHBondContact OE2-CD2 2.87Å; E128-H132 VanDerWaalsContact OE2-CD2 3.27Å; E128-H132 IonicContact OE2-NE2 3.45Å; E128-H132 PolarHBondContact OE2-NE2 3.03Å; W129-H132 PolarHBondContact O-N 3.06Å; H132-R136 WeakPolarHBondContact O-CD 2.89Å; H132-R136 PolarHBondContact O-NE 3.14Å; H132-R136 VanDerWaalsContact O-NE 3.13Å
133C98.6Very high98Very high1 Ų171 Ų711%0.00738%0.379CS..THydrogen-bonded Turntrans-119.2-43.8-175.2-53.30000112.8C49 W129 G135 R136 L138C49-C133 HydrophobicContact CB-CB 3.82Å; C49-C133 WeakPolarHBondContact CB-SG 3.42Å; C49-C133 WeakPolarHBondContact SG-CB 3.37Å; C49-C133 CovalentContact SG-SG 2.03Å; C49-C133 PolarHBondContact SG-SG 3.13Å; W129-C133 VanDerWaalsContact CD1-CB 3.41Å; W129-C133 HydrophobicContact CD2-CB 4Å; W129-C133 HydrophobicContact CG-CB 3.8Å; W129-C133 HydrophobicContact CZ2-CB 4.46Å; W129-C133 WeakPolarHBondContact O-CA 3.1Å; W129-C133 WeakPolarHBondContact O-CB 3.22Å; W129-C133 PolarHBondContact O-N 2.66Å; C133-G135 PolarHBondContact O-N 3.28Å; C133-R136 WeakPolarHBondContact O-CB 3.46Å; C133-R136 PolarHBondContact O-N 3.04Å; C133-R136 VanDerWaalsContact O-N 3.1Å; C133-L138 HydrophobicContact CB-CD1 4.13Å
134L98.1Very high98Very high78 Ų7873.8 Ų73.841%0.40841%0.408SS..THydrogen-bonded Turntrans-55.2124.7-173.9179.962000112.6W129 K130 R136W129-L134 HydrophobicContact CE3-CB 4.35Å; W129-L134 HydrophobicContact CH2-CB 4.08Å; W129-L134 HydrophobicContact CH2-CD1 3.73Å; W129-L134 HydrophobicContact CH2-CG 4.47Å; W129-L134 HydrophobicContact CZ3-CB 3.81Å; W129-L134 HydrophobicContact CZ3-CD1 3.88Å; W129-L134 HydrophobicContact CZ3-CG 4.28Å; W129-L134 PolarHBondContact O-N 2.75Å; W129-L134 VanDerWaalsContact O-N 3.14Å; K130-L134 HydrophobicContact CG-CD2 4.2Å; K130-L134 WeakPolarHBondContact O-CB 3.48Å; L134-R136 VanDerWaalsContact C-N 3.26Å; L134-R136 PolarHBondContact O-N 3.05Å
135G97.1Very high98Very high84 Ų8469.3 Ų69.387%0.86639%0.391SS*.THydrogen-bonded Turntrans74.69.3175.800000114.9C133C133-G135 PolarHBondContact O-N 3.28Å
136R97.8Very high97.9Very high142 Ų14273 Ų7354%0.53641%0.405SS..SBendtrans-97.2155.3177.1-59.7-169.1-167.9-102.5-0.8111.4L131 H132 C133 L134 L138L131-R136 PolarHBondContact O-NH2 3.09Å; L131-R136 VanDerWaalsContact O-NH2 3.09Å; H132-R136 WeakPolarHBondContact O-CD 2.89Å; H132-R136 PolarHBondContact O-NE 3.14Å; H132-R136 VanDerWaalsContact O-NE 3.13Å; C133-R136 WeakPolarHBondContact O-CB 3.46Å; C133-R136 PolarHBondContact O-N 3.04Å; C133-R136 VanDerWaalsContact O-N 3.1Å; L134-R136 VanDerWaalsContact C-N 3.26Å; L134-R136 PolarHBondContact O-N 3.05Å; R136-L138 HydrophobicContact CB-CD2 4.19Å; R136-L138 PolarHBondContact O-N 3.2Å; R136-L138 VanDerWaalsContact O-N 3.14Å
137P97.2Very high97.7Very high103 Ų10374.4 Ų74.467%0.66941%0.413SS*.  trans-69110.4169.728.2-33.2000109.2Y140P137-Y140 WeakPolarHBondContact O-CD1 3.48Å; P137-Y140 WeakPolarHBondContact O-CE1 3.32Å
138L98.2Very high97.1Very high12 Ų1276.5 Ų76.56%0.06346%0.455CS..  trans-102.4-4-176.6-63.6-175.2000113.7P45 D46 C49 C133 R136 Y140 W141P45-L138 HydrophobicContact CB-CB 3.54Å; P45-L138 WeakPolarHBondContact CB-O 3.36Å; D46-L138 HydrophobicContact CB-CD1 4.5Å; D46-L138 WeakPolarHBondContact OD1-CD1 3.39Å; C49-L138 HydrophobicContact CB-CD1 4.04Å; C49-L138 HydrophobicContact CB-CD2 4.14Å; C133-L138 HydrophobicContact CB-CD1 4.13Å; R136-L138 HydrophobicContact CB-CD2 4.19Å; R136-L138 PolarHBondContact O-N 3.2Å; R136-L138 VanDerWaalsContact O-N 3.14Å; L138-Y140 PolarHBondContact O-N 3.2Å; L138-W141 WeakPolarHBondContact O-CB 3.23Å; L138-W141 VanDerWaalsContact O-CD1 3.25Å; L138-W141 PolarHBondContact O-N 2.64Å
139S97.4Very high97Very high94 Ų9476.7 Ų76.766%0.65746%0.46SS*.G310 helixtrans-54.7-26.8-174.157.30000114.6W141 M142S139-W141 PolarHBondContact O-N 2.84Å; S139-M142 PolarHBondContact O-N 3.41Å; S139-M142 VanDerWaalsContact O-N 3.09Å
140Y97.2Very high96.9Very high120 Ų12080.5 Ų80.547%0.47148%0.484SS..G310 helixtrans-62.8-21.817768.7-97.1000113.7P137 L138 M142 T143P137-Y140 WeakPolarHBondContact O-CD1 3.48Å; P137-Y140 WeakPolarHBondContact O-CE1 3.32Å; L138-Y140 PolarHBondContact O-N 3.2Å; Y140-M142 PolarHBondContact O-N 3.45Å; Y140-M142 VanDerWaalsContact O-N 3.16Å; Y140-T143 WeakPolarHBondContact O-CB 3.34Å; Y140-T143 PolarHBondContact O-N 2.78Å; Y140-T143 VanDerWaalsContact O-N 3.1Å; Y140-T143 PolarHBondContact O-OG1 3.17Å
141W98.3Very high96.9Very high22 Ų2278.5 Ų78.58%0.08348%0.483CS..G310 helixtrans-62.3-17.4173.9-75.4111.9000113.1R24 P45 L48 F52 F57 L138 S139R24-W141 WeakPolarHBondContact CD-O 3.4Å; R24-W141 HydrophobicContact CG-CE3 4.29Å; R24-W141 PolarHBondContact NH1-O 2.86Å; P45-W141 HydrophobicContact CB-CB 4.28Å; L48-W141 HydrophobicContact CB-CB 3.96Å; L48-W141 HydrophobicContact CB-CD2 4.2Å; L48-W141 HydrophobicContact CB-CE3 4.19Å; L48-W141 HydrophobicContact CB-CG 4.11Å; L48-W141 HydrophobicContact CD1-CB 3.92Å; L48-W141 VanDerWaalsContact CD1-O 3.32Å; L48-W141 WeakPolarHBondContact CD1-O 3.39Å; F52-W141 HydrophobicContact CB-CH2 3.47Å; F52-W141 VanDerWaalsContact CB-CH2 3.47Å; F52-W141 HydrophobicContact CB-CZ2 3.98Å; F52-W141 HydrophobicContact CB-CZ3 4.05Å; F52-W141 AromaticContact CD1-CH2 3.52Å; F52-W141 HydrophobicContact CD1-CH2 3.52Å; F52-W141 AromaticContact CD1-CZ2 3.82Å; F52-W141 HydrophobicContact CD1-CZ2 3.82Å; F52-W141 AromaticContact CD2-CH2 3.79Å; F52-W141 HydrophobicContact CD2-CH2 3.79Å; F52-W141 HydrophobicContact CD2-CZ3 4.33Å; F52-W141 HydrophobicContact CE1-CH2 4.15Å; F52-W141 HydrophobicContact CE2-CH2 4.36Å; F52-W141 AromaticContact CG-CH2 3.29Å; F52-W141 HydrophobicContact CG-CH2 3.29Å; F52-W141 AromaticContact CG-CZ2 3.97Å; F52-W141 HydrophobicContact CG-CZ2 3.97Å; F52-W141 HydrophobicContact CG-CZ3 4.12Å; F57-W141 AromaticContact CE2-CZ3 3.92Å; F57-W141 HydrophobicContact CE2-CZ3 3.92Å; F57-W141 HydrophobicContact CZ-CE3 4.11Å; F57-W141 HydrophobicContact CZ-CH2 4.32Å; F57-W141 AromaticContact CZ-CZ3 3.56Å; F57-W141 HydrophobicContact CZ-CZ3 3.56Å; L138-W141 WeakPolarHBondContact O-CB 3.23Å; L138-W141 VanDerWaalsContact O-CD1 3.25Å; L138-W141 PolarHBondContact O-N 2.64Å; S139-W141 PolarHBondContact O-N 2.84Å
142M98.3Very high96.8Very high45 Ų4577.4 Ų77.422%0.22248%0.481CS..G310 helixtrans-100.6-3.5176.6-68.5-58.3-63.300113.9A28 L44 P45 L48 S139 Y140 G144 C145 L147A28-M142 HydrophobicContact CB-CE 4.29Å; A28-M142 HydrophobicContact CB-SD 3.99Å; L44-M142 HydrophobicContact CB-SD 4.05Å; L44-M142 HydrophobicContact CD1-CE 4.19Å; L44-M142 HydrophobicContact CD1-SD 4.4Å; P45-M142 HydrophobicContact CG-CG 3.84Å; L48-M142 HydrophobicContact CD1-SD 3.66Å; S139-M142 PolarHBondContact O-N 3.41Å; S139-M142 VanDerWaalsContact O-N 3.09Å; Y140-M142 PolarHBondContact O-N 3.45Å; Y140-M142 VanDerWaalsContact O-N 3.16Å; M142-G144 PolarHBondContact O-N 3.08Å; M142-G144 VanDerWaalsContact O-N 3.14Å; M142-C145 HydrophobicContact CE-CB 4Å; M142-C145 WeakPolarHBondContact O-CB 3.35Å; M142-C145 PolarHBondContact O-N 3.03Å; M142-L147 HydrophobicContact CE-CD1 3.8Å; M142-L147 HydrophobicContact CE-CD2 4.08Å; M142-L147 HydrophobicContact CE-CG 4.07Å
143T98.1Very high96.6Very high93 Ų9376.3 Ų76.357%0.57148%0.484SS*.THydrogen-bonded Turntrans-56.5122-178.4-60.60000111.1R24 Y140 C145R24-T143 PolarHBondContact NH1-O 3.03Å; R24-T143 PolarHBondContact NH2-O 3.36Å; Y140-T143 WeakPolarHBondContact O-CB 3.34Å; Y140-T143 PolarHBondContact O-N 2.78Å; Y140-T143 VanDerWaalsContact O-N 3.1Å; Y140-T143 PolarHBondContact O-OG1 3.17Å; T143-C145 VanDerWaalsContact C-N 3.27Å; T143-C145 PolarHBondContact O-N 3.49Å
144G97.9Very high96.5Very high59 Ų5981.3 Ų81.361%0.60852%0.515SS*.THydrogen-bonded Turntrans76.91.1179.300000115.7M142 H146M142-G144 PolarHBondContact O-N 3.08Å; M142-G144 VanDerWaalsContact O-N 3.14Å; G144-H146 PolarHBondContact O-ND1 3.15Å
145C98Very high96.4Very high19 Ų1981.6 Ų81.613%0.12852%0.523CS..  trans-83.3136174.1-58.20000110.7R24 C25 M142 T143R24-C145 PolarHBondContact NH1-SG 2.97Å; C25-C145 WeakPolarHBondContact CA-SG 3.33Å; C25-C145 HydrophobicContact CB-CB 3.74Å; C25-C145 WeakPolarHBondContact CB-SG 3.23Å; C25-C145 WeakPolarHBondContact SG-CA 3.09Å; C25-C145 WeakPolarHBondContact SG-CB 3.04Å; C25-C145 CovalentContact SG-SG 2.05Å; C25-C145 PolarHBondContact SG-SG 3.13Å; M142-C145 HydrophobicContact CE-CB 4Å; M142-C145 WeakPolarHBondContact O-CB 3.35Å; M142-C145 PolarHBondContact O-N 3.03Å; T143-C145 VanDerWaalsContact C-N 3.27Å; T143-C145 PolarHBondContact O-N 3.49Å
146H96Very high96.3Very high162 Ų16281.4 Ų81.475%0.7550%0.497SS*.  trans-119.9120.7175.1-57.485.4000107.4G144G144-H146 PolarHBondContact O-ND1 3.15Å
147L93.8Very high96.2Very high45 Ų4576.3 Ų76.324%0.23649%0.493CS..  trans-92.9-12.4-175.2-57.4179.4000112.6A28 K29 Y32 L44 M142A28-L147 HydrophobicContact CB-CD2 4.17Å; K29-L147 HydrophobicContact CB-CD2 4.33Å; Y32-L147 HydrophobicContact CD1-CB 4.14Å; Y32-L147 HydrophobicContact CD1-CD1 4.42Å; Y32-L147 HydrophobicContact CD2-CD1 3.82Å; Y32-L147 HydrophobicContact CE1-CB 4.45Å; Y32-L147 HydrophobicContact CE2-CD1 4.36Å; Y32-L147 HydrophobicContact CG-CB 4.37Å; Y32-L147 HydrophobicContact CG-CD1 3.85Å; L44-L147 HydrophobicContact CD1-CD1 3.66Å; M142-L147 HydrophobicContact CE-CD1 3.8Å; M142-L147 HydrophobicContact CE-CD2 4.08Å; M142-L147 HydrophobicContact CE-CG 4.07Å
148G84.2Confident96.1Very high142 Ų14273.9 Ų73.9100%1.46448%0.477SS*.  trans171.60179.100000110.2

Retrieved 148 of 148 residues in 116.6 ms (Link to these results)

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