A0A087XVD3_POEFO Loading...

Protein S100

AlphaFold DB , UniProt , Accession A0A087XVD3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 111 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
1M42.3Very low72.3Confident242 Ų242118.6 Ų118.6100%1.19264%0.641SS**  094.90-84.8170.1153.600107.4K3M1-K3 PolarHBondContact O-N 3.4Å
2S47.8Very low73.9Confident119 Ų119111.9 Ų111.983%0.83261%0.614SS**  trans-83.9100.8172.9-44.90000106.2E4S2-E4 PolarHBondContact O-N 2.94Å
3K56.1Low75.4Confident192 Ų192112.5 Ų112.584%0.83561%0.612SS**  trans-70.6109.3165.1-84.4-177.3174.7-1800105.9M1M1-K3 PolarHBondContact O-N 3.4Å
4E64Low76.7Confident162 Ų162109.1 Ų109.176%0.75759%0.59SS**  trans-43.1133.6159.7-67.9-7114000108.4S2 S6S2-E4 PolarHBondContact O-N 2.94Å; E4-S6 PolarHBondContact O-N 2.92Å
5P56.8Low77.9Confident46 Ų46109.7 Ų109.730%0.29959%0.589SS.*  trans-58.6127.8-178.522.7-31000109.6S7 E10 S11P5-S7 VanDerWaalsContact C-N 3.28Å; P5-S7 PolarHBondContact O-N 3.49Å; P5-E10 HydrophobicContact CB-CB 4.38Å; P5-S11 WeakPolarHBondContact CB-OG 3.44Å; P5-S11 WeakPolarHBondContact CG-OG 3.5Å
6S70.7Confident79Confident94 Ų94106.4 Ų106.466%0.65757%0.572SS**SBendtrans-86.36-166.183.80000114E4 E10E4-S6 PolarHBondContact O-N 2.92Å; S6-E10 VanDerWaalsContact CA-OE2 3.23Å; S6-E10 WeakPolarHBondContact CA-OE2 3.42Å; S6-E10 WeakPolarHBondContact CB-OE2 3.44Å; S6-E10 PolarHBondContact N-OE2 3.14Å; S6-E10 PolarHBondContact OG-OE1 2.83Å; S6-E10 PolarHBondContact OG-OE2 2.82Å
7S90.1Very high80Confident54 Ų54104.4 Ų104.438%0.37856%0.56SS.*SBendtrans-168166.9167.264.80000111.2P5 L9 E10 S11P5-S7 VanDerWaalsContact C-N 3.28Å; P5-S7 PolarHBondContact O-N 3.49Å; S7-L9 PolarHBondContact O-N 2.94Å; S7-E10 PolarHBondContact O-N 3.27Å; S7-E10 VanDerWaalsContact O-N 3.17Å; S7-E10 WeakPolarHBondContact OG-CG 3.05Å; S7-E10 PolarHBondContact OG-N 3.28Å; S7-S11 PolarHBondContact O-N 2.83Å; S7-S11 PolarHBondContact O-OG 2.81Å
8N91.9Very high80.8Confident147 Ų147106.1 Ų106.179%0.78656%0.561SS**Hα-helixtrans-55.8-36.5175.8-70.9-14.2000112.9S11 A12N8-S11 WeakPolarHBondContact O-CB 3.3Å; N8-S11 PolarHBondContact O-N 2.56Å; N8-A12 PolarHBondContact O-N 3.27Å
9L92.4Very high81.6Confident136 Ų136102.4 Ų102.471%0.71254%0.543SS*.Hα-helixtrans-68.8-43.5178.6-68.7177.1000111.4S7 S11 A12 M13S7-L9 PolarHBondContact O-N 2.94Å; L9-S11 VanDerWaalsContact C-N 3.31Å; L9-S11 PolarHBondContact O-N 3.33Å; L9-A12 PolarHBondContact O-N 2.66Å; L9-M13 WeakPolarHBondContact O-CG 3.32Å; L9-M13 PolarHBondContact O-N 2.91Å
10E90.9Very high82.3Confident79 Ų7997.3 Ų97.337%0.36952%0.516SS..Hα-helixtrans-63.3-39.1175.1-70.4-179.4-176.600111.9P5 S6 S7 M13 Q14P5-E10 HydrophobicContact CB-CB 4.38Å; S6-E10 VanDerWaalsContact CA-OE2 3.23Å; S6-E10 WeakPolarHBondContact CA-OE2 3.42Å; S6-E10 WeakPolarHBondContact CB-OE2 3.44Å; S6-E10 PolarHBondContact N-OE2 3.14Å; S6-E10 PolarHBondContact OG-OE1 2.83Å; S6-E10 PolarHBondContact OG-OE2 2.82Å; S7-E10 PolarHBondContact O-N 3.27Å; S7-E10 VanDerWaalsContact O-N 3.17Å; S7-E10 WeakPolarHBondContact OG-CG 3.05Å; S7-E10 PolarHBondContact OG-N 3.28Å; E10-M13 PolarHBondContact O-N 3.24Å; E10-Q14 WeakPolarHBondContact O-CB 3.44Å; E10-Q14 VanDerWaalsContact O-CG 3.3Å; E10-Q14 WeakPolarHBondContact O-CG 3.23Å; E10-Q14 PolarHBondContact O-N 2.77Å
11S92Very high82.9Confident34 Ų3497.1 Ų97.124%0.23851%0.512CS..Hα-helixtrans-59.4-46.2172.7-62.90000111.5P5 S7 N8 L9 Q14 M15P5-S11 WeakPolarHBondContact CB-OG 3.44Å; P5-S11 WeakPolarHBondContact CG-OG 3.5Å; S7-S11 PolarHBondContact O-N 2.83Å; S7-S11 PolarHBondContact O-OG 2.81Å; N8-S11 WeakPolarHBondContact O-CB 3.3Å; N8-S11 PolarHBondContact O-N 2.56Å; L9-S11 VanDerWaalsContact C-N 3.31Å; L9-S11 PolarHBondContact O-N 3.33Å; S11-Q14 PolarHBondContact O-N 3.34Å; S11-M15 WeakPolarHBondContact O-CG 3.06Å; S11-M15 PolarHBondContact O-N 2.85Å
12A92.3Very high85.5Confident38 Ų3890.8 Ų90.831%0.31448%0.478SS..Hα-helixtrans-62.2-45.9178.400000111.8N8 L9 Q14 M15 L16N8-A12 PolarHBondContact O-N 3.27Å; L9-A12 PolarHBondContact O-N 2.66Å; A12-Q14 VanDerWaalsContact C-N 3.33Å; A12-Q14 PolarHBondContact O-N 3.34Å; A12-M15 HydrophobicContact CB-CE 4.47Å; A12-M15 WeakPolarHBondContact O-CB 3.31Å; A12-M15 PolarHBondContact O-N 2.94Å; A12-M15 VanDerWaalsContact O-N 3.15Å; A12-L16 WeakPolarHBondContact O-CG 3.44Å; A12-L16 PolarHBondContact O-N 2.95Å
13M93.4Very high87.8Confident120 Ų12085.1 Ų85.159%0.59144%0.438SS*.Hα-helixtrans-59.2-44.5174.9-68.6175.670.600111.6L9 E10 M15 L16 I17L9-M13 WeakPolarHBondContact O-CG 3.32Å; L9-M13 PolarHBondContact O-N 2.91Å; E10-M13 PolarHBondContact O-N 3.24Å; M13-M15 VanDerWaalsContact C-N 3.32Å; M13-M15 PolarHBondContact O-N 3.48Å; M13-L16 PolarHBondContact O-N 3.26Å; M13-I17 WeakPolarHBondContact O-CG1 3.5Å; M13-I17 PolarHBondContact O-N 3.31Å
14Q92.9Very high89.7Confident64 Ų6476.5 Ų76.530%0.29940%0.402SS..Hα-helixtrans-63.6-36.8176-74.4-177.615.900112.4E10 S11 A12 K18E10-Q14 WeakPolarHBondContact O-CB 3.44Å; E10-Q14 VanDerWaalsContact O-CG 3.3Å; E10-Q14 WeakPolarHBondContact O-CG 3.23Å; E10-Q14 PolarHBondContact O-N 2.77Å; S11-Q14 PolarHBondContact O-N 3.34Å; A12-Q14 VanDerWaalsContact C-N 3.33Å; A12-Q14 PolarHBondContact O-N 3.34Å; Q14-K18 VanDerWaalsContact O-CB 3.28Å; Q14-K18 WeakPolarHBondContact O-CB 3.43Å; Q14-K18 WeakPolarHBondContact O-CG 3.43Å; Q14-K18 PolarHBondContact O-N 2.83Å
15M94.6Very high90.9Very high118 Ų11870.5 Ų70.558%0.58138%0.384SS*.Hα-helixtrans-64.8-43.2175.5-74.4-170.7-60.600111.4S11 A12 M13 K18 T19S11-M15 WeakPolarHBondContact O-CG 3.06Å; S11-M15 PolarHBondContact O-N 2.85Å; A12-M15 HydrophobicContact CB-CE 4.47Å; A12-M15 WeakPolarHBondContact O-CB 3.31Å; A12-M15 PolarHBondContact O-N 2.94Å; A12-M15 VanDerWaalsContact O-N 3.15Å; M13-M15 VanDerWaalsContact C-N 3.32Å; M13-M15 PolarHBondContact O-N 3.48Å; M15-K18 PolarHBondContact O-N 3Å; M15-T19 VanDerWaalsContact O-CB 3.31Å; M15-T19 WeakPolarHBondContact O-CB 3.26Å; M15-T19 PolarHBondContact O-N 3.44Å; M15-T19 PolarHBondContact O-OG1 2.93Å
16L95.5Very high92.5Very high58 Ų5873.3 Ų73.330%0.30439%0.391SS..Hα-helixtrans-59.8-49.3175.9-68.7167.2000111.5A12 M13 K18 T19 F20 I80 M83A12-L16 WeakPolarHBondContact O-CG 3.44Å; A12-L16 PolarHBondContact O-N 2.95Å; M13-L16 PolarHBondContact O-N 3.26Å; L16-K18 PolarHBondContact O-N 3.36Å; L16-T19 PolarHBondContact O-N 3.37Å; L16-F20 PolarHBondContact O-N 3.2Å; L16-I80 HydrophobicContact CB-CD1 4Å; L16-I80 HydrophobicContact CD1-CD1 3.85Å; L16-I80 HydrophobicContact CD2-CD1 4.32Å; L16-I80 HydrophobicContact CG-CD1 4.28Å; L16-M83 HydrophobicContact CD2-CB 4.21Å; L16-M83 HydrophobicContact CD2-CG 3.91Å; L16-M83 HydrophobicContact CD2-SD 4.42Å
17I95.5Very high93.3Very high72 Ų7274.7 Ų74.737%0.36939%0.388SS..Hα-helixtrans-60.6-46.7178.3-66.2164.2000111.2M13 T19 F20 H21 F76M13-I17 WeakPolarHBondContact O-CG1 3.5Å; M13-I17 PolarHBondContact O-N 3.31Å; I17-T19 VanDerWaalsContact C-N 3.32Å; I17-T19 PolarHBondContact O-N 2.77Å; I17-F20 PolarHBondContact O-N 2.68Å; I17-H21 PolarHBondContact O-CD2 2.92Å; I17-H21 PolarHBondContact O-N 3.32Å; I17-H21 VanDerWaalsContact O-N 3.07Å; I17-F76 HydrophobicContact CB-CZ 4.49Å; I17-F76 HydrophobicContact CG1-CE1 4.35Å; I17-F76 HydrophobicContact CG1-CE2 4.07Å; I17-F76 HydrophobicContact CG1-CZ 3.57Å
18K95.3Very high93.2Very high135 Ų13575.8 Ų75.859%0.58741%0.407SS*.Hα-helixtrans-64.3-38.2179.4-76.3172.3-178.4172.70112.1Q14 M15 L16 K22Q14-K18 VanDerWaalsContact O-CB 3.28Å; Q14-K18 WeakPolarHBondContact O-CB 3.43Å; Q14-K18 WeakPolarHBondContact O-CG 3.43Å; Q14-K18 PolarHBondContact O-N 2.83Å; M15-K18 PolarHBondContact O-N 3Å; L16-K18 PolarHBondContact O-N 3.36Å; K18-K22 WeakPolarHBondContact O-CB 3.42Å; K18-K22 PolarHBondContact O-N 3.46Å
19T95.6Very high93.2Very high36 Ų3672.3 Ų72.322%0.22139%0.389CS..Hα-helixtrans-67.4-46.8179.1-55.40000110.1M15 L16 I17 H21 K22 Y23 E45M15-T19 VanDerWaalsContact O-CB 3.31Å; M15-T19 WeakPolarHBondContact O-CB 3.26Å; M15-T19 PolarHBondContact O-N 3.44Å; M15-T19 PolarHBondContact O-OG1 2.93Å; L16-T19 PolarHBondContact O-N 3.37Å; I17-T19 VanDerWaalsContact C-N 3.32Å; I17-T19 PolarHBondContact O-N 2.77Å; T19-H21 VanDerWaalsContact C-N 3.35Å; T19-H21 PolarHBondContact O-N 3.29Å; T19-K22 WeakPolarHBondContact O-CB 3.19Å; T19-K22 PolarHBondContact O-N 2.8Å; T19-K22 VanDerWaalsContact O-N 3.12Å; T19-Y23 HydrophobicContact CG2-CD2 4.42Å; T19-Y23 HydrophobicContact CG2-CE2 4.15Å; T19-Y23 VanDerWaalsContact O-CD2 3.25Å; T19-Y23 WeakPolarHBondContact O-CD2 3.43Å; T19-E45 HydrophobicContact CG2-CG 3.8Å
20F95.8Very high93.2Very high0 Ų071.7 Ų71.70%038%0.38CS..Hα-helixtrans-53.9-52.2174.1-179.5-94.4000111.6L16 I17 K22 Y23 S24 Y31 L33 F76 F79L16-F20 PolarHBondContact O-N 3.2Å; I17-F20 PolarHBondContact O-N 2.68Å; F20-K22 PolarHBondContact O-N 3.3Å; F20-Y23 PolarHBondContact O-N 3.02Å; F20-S24 PolarHBondContact O-N 2.87Å; F20-S24 PolarHBondContact O-OG 2.93Å; F20-Y31 WeakPolarHBondContact CE1-O 3.28Å; F20-Y31 VanDerWaalsContact CZ-O 3.31Å; F20-Y31 WeakPolarHBondContact CZ-O 3.34Å; F20-L33 HydrophobicContact CD2-CD1 3.73Å; F20-L33 HydrophobicContact CD2-CG 4.09Å; F20-L33 HydrophobicContact CE2-CD1 3.61Å; F20-L33 HydrophobicContact CE2-CG 3.67Å; F20-L33 HydrophobicContact CZ-CG 4.24Å; F20-F76 HydrophobicContact CB-CD2 3.86Å; F20-F76 HydrophobicContact CB-CE2 3.96Å; F20-F76 AromaticContact CD1-CD2 3.78Å; F20-F76 HydrophobicContact CD1-CD2 3.78Å; F20-F76 AromaticContact CD2-CD2 3.95Å; F20-F76 HydrophobicContact CD2-CD2 3.95Å; F20-F76 HydrophobicContact CE1-CB 4.19Å; F20-F76 HydrophobicContact CE1-CD2 4.3Å; F20-F76 HydrophobicContact CE2-CB 4.42Å; F20-F76 HydrophobicContact CE2-CD2 4.43Å; F20-F76 AromaticContact CG-CD2 3.59Å; F20-F76 HydrophobicContact CG-CD2 3.59Å; F20-F76 HydrophobicContact CG-CE2 4.21Å; F20-F76 HydrophobicContact CZ-CB 4.14Å; F20-F79 HydrophobicContact CB-CD1 4.09Å; F20-F79 HydrophobicContact CB-CE1 4Å; F20-F79 HydrophobicContact CB-CZ 4.49Å; F20-F79 HydrophobicContact CD2-CB 3.73Å; F20-F79 AromaticContact CD2-CD1 3.75Å; F20-F79 HydrophobicContact CD2-CD1 3.75Å; F20-F79 HydrophobicContact CD2-CD2 4.15Å; F20-F79 HydrophobicContact CD2-CE1 4.41Å; F20-F79 AromaticContact CD2-CG 3.59Å; F20-F79 HydrophobicContact CD2-CG 3.59Å; F20-F79 HydrophobicContact CE2-CB 3.86Å; F20-F79 HydrophobicContact CE2-CG 4.23Å; F20-F79 HydrophobicContact CG-CD1 4.3Å
21H95.9Very high93.4Very high94 Ų9474.4 Ų74.444%0.43539%0.388SS..Hα-helixtrans-72.1-10.5-179.2-72.6-52.6000115.5I17 T19 Y23 S24I17-H21 PolarHBondContact O-CD2 2.92Å; I17-H21 PolarHBondContact O-N 3.32Å; I17-H21 VanDerWaalsContact O-N 3.07Å; T19-H21 VanDerWaalsContact C-N 3.35Å; T19-H21 PolarHBondContact O-N 3.29Å; H21-Y23 VanDerWaalsContact C-N 3.31Å; H21-S24 WeakPolarHBondContact CA-OG 3.42Å; H21-S24 PolarHBondContact ND1-OG 2.78Å
22K95.9Very high93.5Very high108 Ų10873.5 Ų73.547%0.4738%0.381SS..Hα-helixtrans-71.7-29.9169.6174.9-173.2165.1-162.20111K18 T19 F20 K26 E44 E45K18-K22 WeakPolarHBondContact O-CB 3.42Å; K18-K22 PolarHBondContact O-N 3.46Å; T19-K22 WeakPolarHBondContact O-CB 3.19Å; T19-K22 PolarHBondContact O-N 2.8Å; T19-K22 VanDerWaalsContact O-N 3.12Å; F20-K22 PolarHBondContact O-N 3.3Å; K22-K26 VanDerWaalsContact O-CE 3.22Å; K22-K26 WeakPolarHBondContact O-CE 3.31Å; K22-E44 IonicContact NZ-OE2 3.99Å; K22-E45 IonicContact NZ-OE1 2.71Å; K22-E45 PolarHBondContact NZ-OE1 3.19Å
23Y95.8Very high93.7Very high0 Ų071.7 Ų71.70%037%0.366CS..Hα-helixtrans-104.8-34.9-176.6-65-81.5000113.3T19 F20 H21 E37 E40 L41 E44 E45T19-Y23 HydrophobicContact CG2-CD2 4.42Å; T19-Y23 HydrophobicContact CG2-CE2 4.15Å; T19-Y23 VanDerWaalsContact O-CD2 3.25Å; T19-Y23 WeakPolarHBondContact O-CD2 3.43Å; F20-Y23 PolarHBondContact O-N 3.02Å; H21-Y23 VanDerWaalsContact C-N 3.31Å; Y23-E37 WeakPolarHBondContact O-CG 3.42Å; Y23-E40 HydrophobicContact CD1-CB 4.06Å; Y23-E40 HydrophobicContact CD1-CG 4.02Å; Y23-E40 HydrophobicContact CE1-CB 4.25Å; Y23-E40 HydrophobicContact CE1-CG 3.84Å; Y23-L41 HydrophobicContact CD1-CB 4.11Å; Y23-L41 HydrophobicContact CD2-CB 3.79Å; Y23-L41 HydrophobicContact CD2-CD1 3.77Å; Y23-L41 HydrophobicContact CD2-CG 3.74Å; Y23-L41 HydrophobicContact CE1-CB 4.5Å; Y23-L41 HydrophobicContact CE2-CB 4.2Å; Y23-L41 HydrophobicContact CE2-CG 4.08Å; Y23-L41 HydrophobicContact CG-CB 3.76Å; Y23-L41 HydrophobicContact CG-CD1 4.22Å; Y23-L41 HydrophobicContact CG-CG 4.22Å; Y23-E44 WeakPolarHBondContact CE1-OE2 3.37Å; Y23-E44 VanDerWaalsContact OH-CB 3.3Å; Y23-E44 WeakPolarHBondContact OH-CB 3.42Å; Y23-E44 PolarHBondContact OH-OE2 3.42Å; Y23-E45 HydrophobicContact CE2-CG 3.66Å; Y23-E45 PolarHBondContact OH-OE1 3.1Å; Y23-E45 VanDerWaalsContact OH-OE1 3.06Å
24S95.4Very high93.7Very high12 Ų1266.7 Ų66.78%0.08434%0.343CS..THydrogen-bonded Turntrans-67145.218068.20000112.8F20 H21 K26 K30 T32F20-S24 PolarHBondContact O-N 2.87Å; F20-S24 PolarHBondContact O-OG 2.93Å; H21-S24 WeakPolarHBondContact CA-OG 3.42Å; H21-S24 PolarHBondContact ND1-OG 2.78Å; S24-K26 VanDerWaalsContact C-N 3.31Å; S24-K26 PolarHBondContact O-N 2.92Å; S24-K30 PolarHBondContact OG-O 3.46Å; S24-T32 WeakPolarHBondContact CA-O 3.32Å; S24-T32 WeakPolarHBondContact CB-O 3.13Å
25G90.5Very high93.5Very high36 Ų3667.3 Ų67.337%0.37134%0.343SS..THydrogen-bonded Turntrans76.513.2170.600000115.7E37G25-E37 PolarHBondContact N-OE1 3.38Å
26K90.9Very high93.3Very high104 Ų10463.6 Ų63.645%0.45234%0.335SS..SBendtrans-68.2-32.4160.4-61.6177.1-177.9173.40109.9K22 S24 E37 E40K22-K26 VanDerWaalsContact O-CE 3.22Å; K22-K26 WeakPolarHBondContact O-CE 3.31Å; S24-K26 VanDerWaalsContact C-N 3.31Å; S24-K26 PolarHBondContact O-N 2.92Å; K26-E37 VanDerWaalsContact CA-OE1 3.27Å; K26-E37 WeakPolarHBondContact CA-OE1 3.48Å; K26-E37 HydrophobicContact CB-CG 4.33Å; K26-E37 VanDerWaalsContact CB-OE1 3.29Å; K26-E37 WeakPolarHBondContact CB-OE1 3.29Å; K26-E37 PolarHBondContact N-OE1 3.13Å; K26-E40 IonicContact NZ-OE1 2.73Å; K26-E40 PolarHBondContact NZ-OE1 2.77Å; K26-E40 IonicContact NZ-OE2 2.68Å; K26-E40 PolarHBondContact NZ-OE2 3.43Å
27E86.4Confident93.3Very high124 Ų12461 Ų6158%0.57932%0.321SS*.SBendtrans-137.9138.1177.4-60.3-179.3177.200109.9E37E27-E37 PolarHBondContact N-OE1 3.38Å
28G88.1Confident93Very high77 Ų7757.6 Ų57.679%0.79430%0.303SS*.SBendtrans72.1-132.7173.600000114.7
29D91.7Very high92.7Very high74 Ų7454.3 Ų54.340%0.39629%0.289SS..  trans-80.9137-179.5-168.6-24.1000111.1Y31 T32D29-Y31 PolarHBondContact O-N 3.36Å; D29-Y31 WeakPolarHBondContact OD1-CD2 3.45Å; D29-Y31 PolarHBondContact OD1-N 2.95Å; D29-T32 WeakPolarHBondContact CB-OG1 3.36Å
30K92.9Very high92.5Very high122 Ų12255.8 Ų55.853%0.5329%0.293SS..THydrogen-bonded Turntrans-76.4-7.518070.7-176.6-173.91780114.5S24S24-K30 PolarHBondContact OG-O 3.46Å
31Y94.3Very high92.4Very high137 Ų13755.9 Ų55.954%0.53729%0.294SS..THydrogen-bonded Turntrans-105.1-1-179.8-61-65.5000113.4F20 D29F20-Y31 WeakPolarHBondContact CE1-O 3.28Å; F20-Y31 VanDerWaalsContact CZ-O 3.31Å; F20-Y31 WeakPolarHBondContact CZ-O 3.34Å; D29-Y31 PolarHBondContact O-N 3.36Å; D29-Y31 WeakPolarHBondContact OD1-CD2 3.45Å; D29-Y31 PolarHBondContact OD1-N 2.95Å
32T95.6Very high91.9Very high14 Ų1451.5 Ų51.59%0.08627%0.274CS..EExtended strand (participates in β ladder)trans-128.8163.2179.962.30000109.8S24 D29 E73 V74 D75S24-T32 WeakPolarHBondContact CA-O 3.32Å; S24-T32 WeakPolarHBondContact CB-O 3.13Å; D29-T32 WeakPolarHBondContact CB-OG1 3.36Å; T32-E73 VanDerWaalsContact CB-OE2 3.31Å; T32-E73 WeakPolarHBondContact CB-OE2 3.33Å; T32-E73 HydrophobicContact CG2-CB 4.27Å; T32-E73 WeakPolarHBondContact CG2-OE2 3.19Å; T32-E73 PolarHBondContact OG1-OE2 3.38Å; T32-V74 CarbonylContact C-O 3.6Å; T32-V74 VanDerWaalsContact CA-O 3.31Å; T32-V74 WeakPolarHBondContact CA-O 3.28Å; T32-D75 HydrophobicContact CG2-CB 4.3Å
33L95.1Very high91.5Very high0 Ų048.6 Ų48.60%027%0.265CS..EExtended strand (participates in β ladder)trans-101.4122.6168.7-66.8163.5000108.5F20 E37 L38 L41 E73 V74 F79F20-L33 HydrophobicContact CD2-CD1 3.73Å; F20-L33 HydrophobicContact CD2-CG 4.09Å; F20-L33 HydrophobicContact CE2-CD1 3.61Å; F20-L33 HydrophobicContact CE2-CG 3.67Å; F20-L33 HydrophobicContact CZ-CG 4.24Å; L33-E37 VanDerWaalsContact CA-OE2 3.32Å; L33-E37 WeakPolarHBondContact CA-OE2 3.48Å; L33-E37 HydrophobicContact CB-CB 4.35Å; L33-E37 HydrophobicContact CD2-CB 3.83Å; L33-L38 HydrophobicContact CB-CB 4.39Å; L33-L38 HydrophobicContact CD1-CD1 4.3Å; L33-L41 HydrophobicContact CD1-CD1 3.93Å; L33-E73 CarbonylContact O-C 3.27Å; L33-E73 WeakPolarHBondContact O-CA 3.27Å; L33-V74 HydrophobicContact CB-CB 4.26Å; L33-V74 PolarHBondContact N-O 3.46Å; L33-V74 PolarHBondContact O-N 2.89Å; L33-F79 HydrophobicContact CD1-CD2 4.38Å
34S93.5Very high91.2Very high15 Ų1554 Ų5411%0.10529%0.29CS..  trans-65.6163.6164.494.60000110G36 E37 L38S34-G36 PolarHBondContact O-N 2.84Å; S34-G36 PolarHBondContact OG-N 3.35Å; S34-E37 PolarHBondContact N-OE2 2.83Å; S34-E37 PolarHBondContact O-N 3.08Å; S34-E37 VanDerWaalsContact O-N 3.08Å; S34-E37 PolarHBondContact OG-N 2.81Å; S34-L38 PolarHBondContact O-N 3.19Å
35R89.4Confident90.9Very high78 Ų7857.1 Ų57.129%0.29430%0.303SS..Hα-helixtrans-50.6-40.7172.2-174.8176.3-168.658.547.9113.7K39 E60R35-K39 WeakPolarHBondContact O-CB 3.27Å; R35-K39 PolarHBondContact O-N 3.08Å; R35-K39 VanDerWaalsContact O-N 3.13Å; R35-E60 IonicContact CZ-OE1 2.7Å; R35-E60 IonicContact CZ-OE2 3Å; R35-E60 IonicContact NE-OE1 2.77Å; R35-E60 PolarHBondContact NE-OE1 3.05Å; R35-E60 IonicContact NE-OE2 3.79Å; R35-E60 IonicContact NH1-OE1 3.24Å; R35-E60 PolarHBondContact NH1-OE1 3.24Å; R35-E60 IonicContact NH1-OE2 2.66Å; R35-E60 PolarHBondContact NH1-OE2 3.24Å; R35-E60 IonicContact NH2-OE1 2.91Å; R35-E60 PolarHBondContact NH2-OE1 3.5Å; R35-E60 IonicContact NH2-OE2 3.27Å; R35-E60 PolarHBondContact NH2-OE2 3.13Å
36G90.8Very high90.6Very high40 Ų4056.8 Ų56.841%0.41229%0.293SS..Hα-helixtrans-69.3-41.417900000112S34 K39 E40S34-G36 PolarHBondContact O-N 2.84Å; S34-G36 PolarHBondContact OG-N 3.35Å; G36-K39 WeakPolarHBondContact O-CB 3.35Å; G36-K39 PolarHBondContact O-N 2.68Å; G36-E40 PolarHBondContact O-N 3.26Å; G36-E40 VanDerWaalsContact O-N 3.08Å
37E94.1Very high89.9Confident3 Ų353 Ų531%0.01428%0.283CS..Hα-helixtrans-69.2-41.5179.1-63.5174.1151.400111.9Y23 G25 K26 E27 L33 S34 K39 E40 L41Y23-E37 WeakPolarHBondContact O-CG 3.42Å; G25-E37 PolarHBondContact N-OE1 3.38Å; K26-E37 VanDerWaalsContact CA-OE1 3.27Å; K26-E37 WeakPolarHBondContact CA-OE1 3.48Å; K26-E37 HydrophobicContact CB-CG 4.33Å; K26-E37 VanDerWaalsContact CB-OE1 3.29Å; K26-E37 WeakPolarHBondContact CB-OE1 3.29Å; K26-E37 PolarHBondContact N-OE1 3.13Å; E27-E37 PolarHBondContact N-OE1 3.38Å; L33-E37 VanDerWaalsContact CA-OE2 3.32Å; L33-E37 WeakPolarHBondContact CA-OE2 3.48Å; L33-E37 HydrophobicContact CB-CB 4.35Å; L33-E37 HydrophobicContact CD2-CB 3.83Å; S34-E37 PolarHBondContact N-OE2 2.83Å; S34-E37 PolarHBondContact O-N 3.08Å; S34-E37 VanDerWaalsContact O-N 3.08Å; S34-E37 PolarHBondContact OG-N 2.81Å; E37-K39 VanDerWaalsContact C-N 3.33Å; E37-K39 PolarHBondContact O-N 3.03Å; E37-E40 PolarHBondContact O-N 3.26Å; E37-L41 PolarHBondContact O-N 3.47Å
38L90.9Very high89.3Confident0 Ų052.8 Ų52.80%030%0.295CS..Hα-helixtrans-60-44.9173.3-179.964.3000110.6L33 S34 E40 L41 L42 M63 L66 V74L33-L38 HydrophobicContact CB-CB 4.39Å; L33-L38 HydrophobicContact CD1-CD1 4.3Å; S34-L38 PolarHBondContact O-N 3.19Å; L38-E40 VanDerWaalsContact C-N 3.3Å; L38-E40 PolarHBondContact O-N 2.95Å; L38-L41 PolarHBondContact O-N 3.25Å; L38-L42 HydrophobicContact CD1-CD1 4.22Å; L38-L42 HydrophobicContact CD1-CD2 4.35Å; L38-L42 HydrophobicContact CD1-CG 4.05Å; L38-L42 HydrophobicContact CD2-CD1 4.5Å; L38-L42 HydrophobicContact CG-CD1 3.98Å; L38-L42 HydrophobicContact CG-CG 4.21Å; L38-L42 WeakPolarHBondContact O-CB 3.29Å; L38-L42 VanDerWaalsContact O-CG 3.25Å; L38-L42 WeakPolarHBondContact O-CG 3.14Å; L38-L42 PolarHBondContact O-N 2.73Å; L38-M63 HydrophobicContact CD2-CB 4.16Å; L38-M63 HydrophobicContact CD2-CG 4.47Å; L38-M63 HydrophobicContact CD2-SD 3.45Å; L38-M63 WeakPolarHBondContact CD2-SD 3.34Å; L38-L66 HydrophobicContact CD2-CD1 4.49Å; L38-V74 HydrophobicContact CD2-CG2 4.11Å
39K89Confident88.4Confident66 Ų6655 Ų5529%0.28728%0.281SS..Hα-helixtrans-56.3-46176.1-179.5168.9178.9-175.10112.1R35 G36 E37 T43 N56 V59R35-K39 WeakPolarHBondContact O-CB 3.27Å; R35-K39 PolarHBondContact O-N 3.08Å; R35-K39 VanDerWaalsContact O-N 3.13Å; G36-K39 WeakPolarHBondContact O-CB 3.35Å; G36-K39 PolarHBondContact O-N 2.68Å; E37-K39 VanDerWaalsContact C-N 3.33Å; E37-K39 PolarHBondContact O-N 3.03Å; K39-T43 WeakPolarHBondContact O-CB 3.35Å; K39-T43 PolarHBondContact O-N 3.46Å; K39-T43 PolarHBondContact O-OG1 3.46Å; K39-N56 PolarHBondContact NZ-OD1 3.06Å; K39-V59 HydrophobicContact CB-CG1 3.93Å; K39-V59 HydrophobicContact CB-CG2 4.35Å; K39-V59 HydrophobicContact CD-CG2 4.43Å; K39-V59 HydrophobicContact CG-CG1 4.42Å; K39-V59 HydrophobicContact CG-CG2 4.01Å
40E91.2Very high87.3Confident67 Ų6754.7 Ų54.731%0.31328%0.279SS..Hα-helixtrans-62.3-47.9179.6-163.1-171.6166.800110.7Y23 K26 G36 E37 L38 L42 T43 E44Y23-E40 HydrophobicContact CD1-CB 4.06Å; Y23-E40 HydrophobicContact CD1-CG 4.02Å; Y23-E40 HydrophobicContact CE1-CB 4.25Å; Y23-E40 HydrophobicContact CE1-CG 3.84Å; K26-E40 IonicContact NZ-OE1 2.73Å; K26-E40 PolarHBondContact NZ-OE1 2.77Å; K26-E40 IonicContact NZ-OE2 2.68Å; K26-E40 PolarHBondContact NZ-OE2 3.43Å; G36-E40 PolarHBondContact O-N 3.26Å; G36-E40 VanDerWaalsContact O-N 3.08Å; E37-E40 PolarHBondContact O-N 3.26Å; L38-E40 VanDerWaalsContact C-N 3.3Å; L38-E40 PolarHBondContact O-N 2.95Å; E40-L42 PolarHBondContact O-N 3.37Å; E40-T43 PolarHBondContact O-N 2.74Å; E40-E44 WeakPolarHBondContact O-CB 3.31Å; E40-E44 WeakPolarHBondContact O-CG 3.48Å; E40-E44 PolarHBondContact O-N 3.27Å
41L92.3Very high85.8Confident3 Ų351.5 Ų51.52%0.01628%0.281CS..Hα-helixtrans-56.1-51.9176-174.5159000111.6Y23 L33 E37 L38 T43 E44 E45 F79Y23-L41 HydrophobicContact CD1-CB 4.11Å; Y23-L41 HydrophobicContact CD2-CB 3.79Å; Y23-L41 HydrophobicContact CD2-CD1 3.77Å; Y23-L41 HydrophobicContact CD2-CG 3.74Å; Y23-L41 HydrophobicContact CE1-CB 4.5Å; Y23-L41 HydrophobicContact CE2-CB 4.2Å; Y23-L41 HydrophobicContact CE2-CG 4.08Å; Y23-L41 HydrophobicContact CG-CB 3.76Å; Y23-L41 HydrophobicContact CG-CD1 4.22Å; Y23-L41 HydrophobicContact CG-CG 4.22Å; L33-L41 HydrophobicContact CD1-CD1 3.93Å; E37-L41 PolarHBondContact O-N 3.47Å; L38-L41 PolarHBondContact O-N 3.25Å; L41-T43 PolarHBondContact O-N 2.75Å; L41-E44 PolarHBondContact O-N 3.02Å; L41-E45 WeakPolarHBondContact O-CB 3.22Å; L41-E45 PolarHBondContact O-N 2.68Å; L41-F79 HydrophobicContact CD1-CD2 4.34Å; L41-F79 HydrophobicContact CD1-CE2 3.81Å; L41-F79 HydrophobicContact CD2-CE2 4.17Å
42L87.2Confident83.9Confident2 Ų250.9 Ų50.91%0.0129%0.287CS..Hα-helixtrans-63.9-28.9-179.1-65.7179000112.5L38 E40 L46 G47 L50 S53 V62 L82L38-L42 HydrophobicContact CD1-CD1 4.22Å; L38-L42 HydrophobicContact CD1-CD2 4.35Å; L38-L42 HydrophobicContact CD1-CG 4.05Å; L38-L42 HydrophobicContact CD2-CD1 4.5Å; L38-L42 HydrophobicContact CG-CD1 3.98Å; L38-L42 HydrophobicContact CG-CG 4.21Å; L38-L42 WeakPolarHBondContact O-CB 3.29Å; L38-L42 VanDerWaalsContact O-CG 3.25Å; L38-L42 WeakPolarHBondContact O-CG 3.14Å; L38-L42 PolarHBondContact O-N 2.73Å; E40-L42 PolarHBondContact O-N 3.37Å; L42-L46 HydrophobicContact CD2-CD1 3.86Å; L42-L46 CarbonylContact O-C 3.48Å; L42-L46 VanDerWaalsContact O-C 3.27Å; L42-G47 PolarHBondContact O-N 2.89Å; L42-G47 VanDerWaalsContact O-N 3.1Å; L42-L50 HydrophobicContact CB-CD1 4.34Å; L42-L50 HydrophobicContact CD2-CD1 3.93Å; L42-S53 PolarHBondContact O-OG 3.4Å; L42-S53 VanDerWaalsContact O-OG 3.11Å; L42-V62 HydrophobicContact CD1-CB 4.13Å; L42-V62 HydrophobicContact CD1-CG1 3.75Å; L42-L82 HydrophobicContact CD2-CD2 4.1Å
43T85.4Confident82Confident46 Ų4650.6 Ų50.628%0.28229%0.285SS..Hα-helixtrans-79-45.3178.7-57.20000111.6K39 E40 L41 G47 S53K39-T43 WeakPolarHBondContact O-CB 3.35Å; K39-T43 PolarHBondContact O-N 3.46Å; K39-T43 PolarHBondContact O-OG1 3.46Å; E40-T43 PolarHBondContact O-N 2.74Å; L41-T43 PolarHBondContact O-N 2.75Å; T43-G47 WeakPolarHBondContact O-CA 3.26Å; T43-G47 PolarHBondContact O-N 2.96Å; T43-S53 WeakPolarHBondContact CA-OG 3.41Å
44E89.9Confident80.4Confident113 Ų11357.6 Ų57.653%0.52832%0.316SS..Hα-helixtrans-82.4-43.9-173.3-68.8-167.9169.100113.3K22 Y23 E40 L41K22-E44 IonicContact NZ-OE2 3.99Å; Y23-E44 WeakPolarHBondContact CE1-OE2 3.37Å; Y23-E44 VanDerWaalsContact OH-CB 3.3Å; Y23-E44 WeakPolarHBondContact OH-CB 3.42Å; Y23-E44 PolarHBondContact OH-OE2 3.42Å; E40-E44 WeakPolarHBondContact O-CB 3.31Å; E40-E44 WeakPolarHBondContact O-CG 3.48Å; E40-E44 PolarHBondContact O-N 3.27Å; L41-E44 PolarHBondContact O-N 3.02Å
45E89.9Confident79.2Confident78 Ų7861 Ų6136%0.36433%0.333SS..THydrogen-bonded Turntrans-90.4-31.1-174.6-57.5-67.6170.200111.8T19 K22 Y23 L41T19-E45 HydrophobicContact CG2-CG 3.8Å; K22-E45 IonicContact NZ-OE1 2.71Å; K22-E45 PolarHBondContact NZ-OE1 3.19Å; Y23-E45 HydrophobicContact CE2-CG 3.66Å; Y23-E45 PolarHBondContact OH-OE1 3.1Å; Y23-E45 VanDerWaalsContact OH-OE1 3.06Å; L41-E45 WeakPolarHBondContact O-CB 3.22Å; L41-E45 PolarHBondContact O-N 2.68Å
46L83.1Confident78.6Confident30 Ų3061.9 Ų61.916%0.15734%0.343CS..THydrogen-bonded Turntrans-1226.1-172.4-59.7175.5000114.3L42 S48 Y49 L50 M83 L86L42-L46 HydrophobicContact CD2-CD1 3.86Å; L42-L46 CarbonylContact O-C 3.48Å; L42-L46 VanDerWaalsContact O-C 3.27Å; L46-S48 PolarHBondContact O-N 3.32Å; L46-S48 VanDerWaalsContact O-N 3.17Å; L46-Y49 WeakPolarHBondContact O-CA 3.25Å; L46-Y49 WeakPolarHBondContact O-CB 3.49Å; L46-Y49 PolarHBondContact O-N 3.21Å; L46-L50 HydrophobicContact CB-CD1 3.82Å; L46-L50 HydrophobicContact CB-CG 4.16Å; L46-L50 HydrophobicContact CD1-CD1 4.28Å; L46-L50 PolarHBondContact O-N 3.29Å; L46-M83 HydrophobicContact CD1-CE 3.88Å; L46-L86 HydrophobicContact CD1-CD1 3.88Å
47G77.4Confident78.1Confident23 Ų2367 Ų6724%0.23736%0.356CS..Hα-helixtrans-60.7-29.7-174.500000114.3L42 T43 G51L42-G47 PolarHBondContact O-N 2.89Å; L42-G47 VanDerWaalsContact O-N 3.1Å; T43-G47 WeakPolarHBondContact O-CA 3.26Å; T43-G47 PolarHBondContact O-N 2.96Å; G47-G51 PolarHBondContact O-N 3.43Å
48S74.4Confident77.3Confident120 Ų12068.9 Ų68.984%0.83937%0.373SS*.Hα-helixtrans-74-28.7173.557.20000113.1L46L46-S48 PolarHBondContact O-N 3.32Å; L46-S48 VanDerWaalsContact O-N 3.17Å
49Y68.1Low76.8Confident125 Ų12569 Ų6949%0.4937%0.374SS..Hα-helixtrans-86.2-40.6-176.8-145.1-93.7000111.8L46 C90L46-Y49 WeakPolarHBondContact O-CA 3.25Å; L46-Y49 WeakPolarHBondContact O-CB 3.49Å; L46-Y49 PolarHBondContact O-N 3.21Å; Y49-C90 PolarHBondContact OH-SG 3.14Å
50L68.1Low76.6Confident66 Ų6669.8 Ų69.835%0.34638%0.378SS..Hα-helixtrans-90.3-9.4-175.2-64.8174.7000113.7L42 L46 L86L42-L50 HydrophobicContact CB-CD1 4.34Å; L42-L50 HydrophobicContact CD2-CD1 3.93Å; L46-L50 HydrophobicContact CB-CD1 3.82Å; L46-L50 HydrophobicContact CB-CG 4.16Å; L46-L50 HydrophobicContact CD1-CD1 4.28Å; L46-L50 PolarHBondContact O-N 3.29Å; L50-L86 HydrophobicContact CD2-CD2 4.38Å
51G61.1Low76.2Confident56 Ų5673.2 Ų73.258%0.57739%0.392SS*.THydrogen-bonded Turntrans63.396.8177.800000112.7G47 S53G47-G51 PolarHBondContact O-N 3.43Å; G51-S53 PolarHBondContact O-N 2.9Å
52N55.2Low75.8Confident123 Ų12374.6 Ų74.666%0.65840%0.401SS*.  trans46.959.2178.6-93.9-1.4000113.7K54 D55N52-K54 PolarHBondContact O-N 3.47Å; N52-D55 PolarHBondContact O-N 2.92Å
53S56.2Low75.7Confident8 Ų874.7 Ų74.76%0.05640%0.401CS..THydrogen-bonded Turntrans-60.214.9165.144.90000114.7L42 T43 G51 D55L42-S53 PolarHBondContact O-OG 3.4Å; L42-S53 VanDerWaalsContact O-OG 3.11Å; T43-S53 WeakPolarHBondContact CA-OG 3.41Å; G51-S53 PolarHBondContact O-N 2.9Å; S53-D55 PolarHBondContact O-N 3.28Å
54K60.5Low75.7Confident147 Ų14777.1 Ų77.164%0.63941%0.412SS*.THydrogen-bonded Turntrans-71.5-15.9170.5-65.2-175.9178.7179.20112.3N52 N56N52-K54 PolarHBondContact O-N 3.47Å; K54-N56 PolarHBondContact O-N 3.28Å
55D69.4Low75.4Confident87 Ų8777.4 Ų77.447%0.46542%0.417SS..  trans-72.3116.9174.9-166.2-11.8000110.3N52 S53 E57 A58 V59N52-D55 PolarHBondContact O-N 2.92Å; S53-D55 PolarHBondContact O-N 3.28Å; D55-E57 PolarHBondContact O-N 3.22Å; D55-E57 WeakPolarHBondContact OD1-CB 3.25Å; D55-E57 PolarHBondContact OD1-N 3.37Å; D55-A58 HydrophobicContact CB-CB 4.13Å; D55-A58 PolarHBondContact O-N 2.9Å; D55-V59 PolarHBondContact O-N 3.32Å
56N76.5Confident75.1Confident96 Ų9674.3 Ų74.351%0.51340%0.403SS..Hα-helixtrans-58.5-32.5176.1-73.5-24.6000111.4K39 K54 V59 E60K39-N56 PolarHBondContact NZ-OD1 3.06Å; K54-N56 PolarHBondContact O-N 3.28Å; N56-V59 PolarHBondContact O-N 2.94Å; N56-E60 WeakPolarHBondContact O-CG 3.48Å; N56-E60 PolarHBondContact O-N 3.1Å
57E79.9Confident75.3Confident147 Ų14773.4 Ų73.469%0.68740%0.398SS*.Hα-helixtrans-69.7-38.2-179.2-169.1174.4-177.500112D55 V59 E60 K61D55-E57 PolarHBondContact O-N 3.22Å; D55-E57 WeakPolarHBondContact OD1-CB 3.25Å; D55-E57 PolarHBondContact OD1-N 3.37Å; E57-V59 VanDerWaalsContact C-N 3.32Å; E57-V59 PolarHBondContact O-N 3.39Å; E57-E60 WeakPolarHBondContact O-CB 3.42Å; E57-E60 PolarHBondContact O-N 2.59Å; E57-K61 PolarHBondContact O-N 3.11Å
58A78.1Confident75.7Confident44 Ų4476.1 Ų76.136%0.36442%0.419SS..Hα-helixtrans-64.5-39.917400000111.3D55 K61 V62D55-A58 HydrophobicContact CB-CB 4.13Å; D55-A58 PolarHBondContact O-N 2.9Å; A58-K61 PolarHBondContact O-N 3.13Å; A58-V62 WeakPolarHBondContact O-CG2 3.42Å; A58-V62 PolarHBondContact O-N 3.47Å
59V80.9Confident76.4Confident3 Ų374.6 Ų74.62%0.01840%0.401CS..Hα-helixtrans-68.3-40.1175.7177.80000111.3K39 D55 N56 E57 K61 V62 M63K39-V59 HydrophobicContact CB-CG1 3.93Å; K39-V59 HydrophobicContact CB-CG2 4.35Å; K39-V59 HydrophobicContact CD-CG2 4.43Å; K39-V59 HydrophobicContact CG-CG1 4.42Å; K39-V59 HydrophobicContact CG-CG2 4.01Å; D55-V59 PolarHBondContact O-N 3.32Å; N56-V59 PolarHBondContact O-N 2.94Å; E57-V59 VanDerWaalsContact C-N 3.32Å; E57-V59 PolarHBondContact O-N 3.39Å; V59-K61 VanDerWaalsContact C-N 3.3Å; V59-K61 PolarHBondContact O-N 3.35Å; V59-V62 PolarHBondContact O-N 3.24Å; V59-M63 VanDerWaalsContact O-CB 3.28Å; V59-M63 WeakPolarHBondContact O-CB 3.33Å; V59-M63 PolarHBondContact O-N 3.18Å
60E83.4Confident77.4Confident81 Ų8174.9 Ų74.938%0.37941%0.411SS..Hα-helixtrans-54.1-49.3170.6-75.1-67.9159.300110.9R35 N56 E57 M63 N64R35-E60 IonicContact CZ-OE1 2.7Å; R35-E60 IonicContact CZ-OE2 3Å; R35-E60 IonicContact NE-OE1 2.77Å; R35-E60 PolarHBondContact NE-OE1 3.05Å; R35-E60 IonicContact NE-OE2 3.79Å; R35-E60 IonicContact NH1-OE1 3.24Å; R35-E60 PolarHBondContact NH1-OE1 3.24Å; R35-E60 IonicContact NH1-OE2 2.66Å; R35-E60 PolarHBondContact NH1-OE2 3.24Å; R35-E60 IonicContact NH2-OE1 2.91Å; R35-E60 PolarHBondContact NH2-OE1 3.5Å; R35-E60 IonicContact NH2-OE2 3.27Å; R35-E60 PolarHBondContact NH2-OE2 3.13Å; N56-E60 WeakPolarHBondContact O-CG 3.48Å; N56-E60 PolarHBondContact O-N 3.1Å; E57-E60 WeakPolarHBondContact O-CB 3.42Å; E57-E60 PolarHBondContact O-N 2.59Å; E60-M63 PolarHBondContact O-N 3.06Å; E60-N64 WeakPolarHBondContact O-CB 3.47Å; E60-N64 PolarHBondContact O-N 2.92Å; E60-N64 PolarHBondContact O-ND2 3.47Å; E60-N64 VanDerWaalsContact O-ND2 3.14Å
61K83.3Confident78.4Confident140 Ų14075.9 Ų75.961%0.60942%0.417SS*.Hα-helixtrans-62.9-47.3-179.6-168.9-177.2175-166.50111.8E57 A58 V59 M63 N64 D65E57-K61 PolarHBondContact O-N 3.11Å; A58-K61 PolarHBondContact O-N 3.13Å; V59-K61 VanDerWaalsContact C-N 3.3Å; V59-K61 PolarHBondContact O-N 3.35Å; K61-M63 VanDerWaalsContact C-N 3.33Å; K61-M63 PolarHBondContact O-N 2.87Å; K61-N64 PolarHBondContact O-N 3.36Å; K61-D65 WeakPolarHBondContact O-CB 3.32Å; K61-D65 PolarHBondContact O-N 2.85Å
62V83Confident79.8Confident32 Ų3275.2 Ų75.219%0.19441%0.41CS..Hα-helixtrans-62.6-41.7177.9173.80000111.1L42 A58 V59 D65 L66 L82L42-V62 HydrophobicContact CD1-CB 4.13Å; L42-V62 HydrophobicContact CD1-CG1 3.75Å; A58-V62 WeakPolarHBondContact O-CG2 3.42Å; A58-V62 PolarHBondContact O-N 3.47Å; V59-V62 PolarHBondContact O-N 3.24Å; V62-D65 PolarHBondContact O-N 3.05Å; V62-L66 HydrophobicContact CG1-CD1 3.69Å; V62-L66 HydrophobicContact CG1-CG 4.28Å; V62-L66 WeakPolarHBondContact O-CB 3.48Å; V62-L66 WeakPolarHBondContact O-CG 3.3Å; V62-L66 PolarHBondContact O-N 3.07Å; V62-L66 VanDerWaalsContact O-N 3.1Å; V62-L82 HydrophobicContact CG1-CD2 4.35Å
63M85.6Confident81.6Confident4 Ų472 Ų722%0.0239%0.391CS..Hα-helixtrans-57.7-51.7174.7-171.981.6-170.200110.7L38 V59 E60 K61 D65 L66 D67 G72 V74L38-M63 HydrophobicContact CD2-CB 4.16Å; L38-M63 HydrophobicContact CD2-CG 4.47Å; L38-M63 HydrophobicContact CD2-SD 3.45Å; L38-M63 WeakPolarHBondContact CD2-SD 3.34Å; V59-M63 VanDerWaalsContact O-CB 3.28Å; V59-M63 WeakPolarHBondContact O-CB 3.33Å; V59-M63 PolarHBondContact O-N 3.18Å; E60-M63 PolarHBondContact O-N 3.06Å; K61-M63 VanDerWaalsContact C-N 3.33Å; K61-M63 PolarHBondContact O-N 2.87Å; M63-D65 VanDerWaalsContact C-N 3.25Å; M63-D65 PolarHBondContact O-N 3.38Å; M63-L66 PolarHBondContact O-N 3.47Å; M63-D67 HydrophobicContact CE-CB 4.39Å; M63-D67 VanDerWaalsContact O-CB 3.26Å; M63-D67 WeakPolarHBondContact O-CB 3.49Å; M63-D67 PolarHBondContact O-N 2.98Å; M63-G72 WeakPolarHBondContact CE-O 3.36Å; M63-V74 HydrophobicContact CE-CG2 3.72Å; M63-V74 HydrophobicContact SD-CG2 3.71Å
64N86Confident83.4Confident97 Ų9771.7 Ų71.752%0.51939%0.389SS..Hα-helixtrans-64.6-29.6-178.8-64.9-24.8000113.1E60 K61 L66E60-N64 WeakPolarHBondContact O-CB 3.47Å; E60-N64 PolarHBondContact O-N 2.92Å; E60-N64 PolarHBondContact O-ND2 3.47Å; E60-N64 VanDerWaalsContact O-ND2 3.14Å; K61-N64 PolarHBondContact O-N 3.36Å; N64-L66 VanDerWaalsContact C-N 3.31Å
65D83.1Confident85.1Confident118 Ų11867.2 Ų67.263%0.63137%0.372SS*.Hα-helixtrans-75.9-21.4175.7-70.4-19.8000112K61 V62 M63K61-D65 WeakPolarHBondContact O-CB 3.32Å; K61-D65 PolarHBondContact O-N 2.85Å; V62-D65 PolarHBondContact O-N 3.05Å; M63-D65 VanDerWaalsContact C-N 3.25Å; M63-D65 PolarHBondContact O-N 3.38Å
66L84.2Confident86.3Confident13 Ų1366.4 Ų66.47%0.06837%0.365CS..Hα-helixtrans-102.1-39.4-176.8-67.5178.6000114.9L38 V62 M63 N64 A68 V74 E78 L82L38-L66 HydrophobicContact CD2-CD1 4.49Å; V62-L66 HydrophobicContact CG1-CD1 3.69Å; V62-L66 HydrophobicContact CG1-CG 4.28Å; V62-L66 WeakPolarHBondContact O-CB 3.48Å; V62-L66 WeakPolarHBondContact O-CG 3.3Å; V62-L66 PolarHBondContact O-N 3.07Å; V62-L66 VanDerWaalsContact O-N 3.1Å; M63-L66 PolarHBondContact O-N 3.47Å; N64-L66 VanDerWaalsContact C-N 3.31Å; L66-A68 PolarHBondContact O-N 3.45Å; L66-V74 HydrophobicContact CB-CG1 4.48Å; L66-V74 HydrophobicContact CB-CG2 4.15Å; L66-E78 WeakPolarHBondContact O-CB 3.47Å; L66-E78 VanDerWaalsContact O-CG 3.29Å; L66-E78 WeakPolarHBondContact O-CG 3.29Å; L66-L82 HydrophobicContact CD1-CB 3.98Å; L66-L82 HydrophobicContact CD1-CD1 4.23Å; L66-L82 HydrophobicContact CD1-CD2 3.57Å; L66-L82 HydrophobicContact CD1-CG 4.08Å; L66-L82 HydrophobicContact CD2-CB 3.49Å; L66-L82 VanDerWaalsContact CD2-CB 3.49Å; L66-L82 HydrophobicContact CD2-CD1 3.94Å; L66-L82 HydrophobicContact CD2-CG 4.11Å; L66-L82 HydrophobicContact CG-CB 4.36Å; L66-L82 HydrophobicContact CG-CD1 4.44Å
67D87.1Confident87.2Confident11 Ų1166.2 Ų66.26%0.05937%0.367CS..  trans-70.874.8177.5178.28.9000109.3M63 N69 N70 D71 G72M63-D67 HydrophobicContact CE-CB 4.39Å; M63-D67 VanDerWaalsContact O-CB 3.26Å; M63-D67 WeakPolarHBondContact O-CB 3.49Å; M63-D67 PolarHBondContact O-N 2.98Å; D67-N69 VanDerWaalsContact C-N 3.27Å; D67-N69 PolarHBondContact O-N 3.29Å; D67-N69 PolarHBondContact OD1-OD1 2.89Å; D67-N70 VanDerWaalsContact CG-CA 3.5Å; D67-N70 PolarHBondContact O-N 2.87Å; D67-N70 WeakPolarHBondContact OD1-CA 3.33Å; D67-N70 PolarHBondContact OD1-N 3.34Å; D67-N70 WeakPolarHBondContact OD2-CA 3.39Å; D67-D71 PolarHBondContact OD1-N 3.17Å; D67-D71 PolarHBondContact OD2-N 2.71Å; D67-G72 VanDerWaalsContact OD2-CA 3.23Å; D67-G72 WeakPolarHBondContact OD2-CA 3.49Å; D67-G72 PolarHBondContact OD2-N 3.4Å
68A85.9Confident87.9Confident81 Ų8159.8 Ų59.867%0.66934%0.337SS*.SBendtrans-71.2-30-171.800000111L66 N70 E78L66-A68 PolarHBondContact O-N 3.45Å; A68-N70 PolarHBondContact O-ND2 2.9Å; A68-E78 PolarHBondContact N-OE1 3.46Å
69N89.1Confident88.6Confident88 Ų8857.9 Ų57.947%0.47132%0.32SS..SBendtrans-86.2-9.7178.475.58.9000112.9D67 D71D67-N69 VanDerWaalsContact C-N 3.27Å; D67-N69 PolarHBondContact O-N 3.29Å; D67-N69 PolarHBondContact OD1-OD1 2.89Å; N69-D71 PolarHBondContact ND2-OD2 3.19Å; N69-D71 VanDerWaalsContact OD1-CB 3.3Å; N69-D71 WeakPolarHBondContact OD1-CB 3.31Å; N69-D71 PolarHBondContact OD1-N 2.96Å; N69-D71 PolarHBondContact OD1-OD1 3.12Å; N69-D71 PolarHBondContact OD1-OD2 2.95Å
70N88.1Confident89.2Confident131 Ų13160.5 Ų60.570%0.70133%0.333SS*.  trans58.939.9-178.2-61.7-95.5000113.4D67 A68D67-N70 VanDerWaalsContact CG-CA 3.5Å; D67-N70 PolarHBondContact O-N 2.87Å; D67-N70 WeakPolarHBondContact OD1-CA 3.33Å; D67-N70 PolarHBondContact OD1-N 3.34Å; D67-N70 WeakPolarHBondContact OD2-CA 3.39Å; A68-N70 PolarHBondContact O-ND2 2.9Å
71D90.1Very high89.5Confident87 Ų8761.9 Ų61.947%0.46534%0.343SS..SBendtrans-89.9-7.3175.973.215.4000113.6D67 N69 E73D67-D71 PolarHBondContact OD1-N 3.17Å; D67-D71 PolarHBondContact OD2-N 2.71Å; N69-D71 PolarHBondContact ND2-OD2 3.19Å; N69-D71 VanDerWaalsContact OD1-CB 3.3Å; N69-D71 WeakPolarHBondContact OD1-CB 3.31Å; N69-D71 PolarHBondContact OD1-N 2.96Å; N69-D71 PolarHBondContact OD1-OD1 3.12Å; N69-D71 PolarHBondContact OD1-OD2 2.95Å; D71-E73 VanDerWaalsContact C-N 3.33Å; D71-E73 WeakPolarHBondContact OD1-CA 3.43Å; D71-E73 PolarHBondContact OD1-N 3.35Å
72G89.5Confident89.6Confident42 Ų4256.4 Ų56.443%0.43332%0.32SS..SBendtrans83.18.4179.400000114.1M63 D67M63-G72 WeakPolarHBondContact CE-O 3.36Å; D67-G72 VanDerWaalsContact OD2-CA 3.23Å; D67-G72 WeakPolarHBondContact OD2-CA 3.49Å; D67-G72 PolarHBondContact OD2-N 3.4Å
73E93.3Very high89.9Confident56 Ų5656 Ų5626%0.26232%0.316SS..SBendtrans-125.7170.6173.7-55.8-169.6160.600110.1T32 L33 D71T32-E73 VanDerWaalsContact CB-OE2 3.31Å; T32-E73 WeakPolarHBondContact CB-OE2 3.33Å; T32-E73 HydrophobicContact CG2-CB 4.27Å; T32-E73 WeakPolarHBondContact CG2-OE2 3.19Å; T32-E73 PolarHBondContact OG1-OE2 3.38Å; L33-E73 CarbonylContact O-C 3.27Å; L33-E73 WeakPolarHBondContact O-CA 3.27Å; D71-E73 VanDerWaalsContact C-N 3.33Å; D71-E73 WeakPolarHBondContact OD1-CA 3.43Å; D71-E73 PolarHBondContact OD1-N 3.35Å
74V94.6Very high90.1Very high0 Ų057.6 Ų57.60%033%0.333CS..EExtended strand (participates in β ladder)trans-124.6113.9175.5175.50000109.4T32 L33 L38 M63 L66 E78 F79T32-V74 CarbonylContact C-O 3.6Å; T32-V74 VanDerWaalsContact CA-O 3.31Å; T32-V74 WeakPolarHBondContact CA-O 3.28Å; L33-V74 HydrophobicContact CB-CB 4.26Å; L33-V74 PolarHBondContact N-O 3.46Å; L33-V74 PolarHBondContact O-N 2.89Å; L38-V74 HydrophobicContact CD2-CG2 4.11Å; M63-V74 HydrophobicContact CE-CG2 3.72Å; M63-V74 HydrophobicContact SD-CG2 3.71Å; L66-V74 HydrophobicContact CB-CG1 4.48Å; L66-V74 HydrophobicContact CB-CG2 4.15Å; V74-E78 WeakPolarHBondContact CA-OE2 3.45Å; V74-E78 HydrophobicContact CG1-CB 3.74Å; V74-F79 HydrophobicContact CG1-CB 4.27Å
75D95.6Very high90Very high53 Ų5355.8 Ų55.828%0.28333%0.332SS..EExtended strand (participates in β ladder)trans-78.1174.3176.585.214.9000112.5T32 T77 E78 F79T32-D75 HydrophobicContact CG2-CB 4.3Å; D75-T77 VanDerWaalsContact C-N 3.26Å; D75-T77 PolarHBondContact O-N 3.19Å; D75-T77 VanDerWaalsContact OD1-CA 3.26Å; D75-T77 WeakPolarHBondContact OD1-CA 3.5Å; D75-T77 WeakPolarHBondContact OD1-CB 3.44Å; D75-T77 PolarHBondContact OD1-N 2.68Å; D75-E78 PolarHBondContact N-OE2 3.04Å; D75-E78 PolarHBondContact O-N 3.01Å; D75-E78 PolarHBondContact OD1-N 2.94Å; D75-F79 WeakPolarHBondContact O-CB 3.34Å; D75-F79 PolarHBondContact O-N 3.31Å
76F95.3Very high90Very high71 Ų7151.8 Ų51.831%0.31131%0.31SS..Hα-helixtrans-63.9-31.1-179.1-174-104.7000113.5I17 F20 F79 I80I17-F76 HydrophobicContact CB-CZ 4.49Å; I17-F76 HydrophobicContact CG1-CE1 4.35Å; I17-F76 HydrophobicContact CG1-CE2 4.07Å; I17-F76 HydrophobicContact CG1-CZ 3.57Å; F20-F76 HydrophobicContact CB-CD2 3.86Å; F20-F76 HydrophobicContact CB-CE2 3.96Å; F20-F76 AromaticContact CD1-CD2 3.78Å; F20-F76 HydrophobicContact CD1-CD2 3.78Å; F20-F76 AromaticContact CD2-CD2 3.95Å; F20-F76 HydrophobicContact CD2-CD2 3.95Å; F20-F76 HydrophobicContact CE1-CB 4.19Å; F20-F76 HydrophobicContact CE1-CD2 4.3Å; F20-F76 HydrophobicContact CE2-CB 4.42Å; F20-F76 HydrophobicContact CE2-CD2 4.43Å; F20-F76 AromaticContact CG-CD2 3.59Å; F20-F76 HydrophobicContact CG-CD2 3.59Å; F20-F76 HydrophobicContact CG-CE2 4.21Å; F20-F76 HydrophobicContact CZ-CB 4.14Å; F76-F79 HydrophobicContact CD2-CD1 4.06Å; F76-F79 AromaticContact CE2-CD1 3.95Å; F76-F79 HydrophobicContact CE2-CD1 3.95Å; F76-F79 HydrophobicContact CE2-CE1 4.25Å; F76-I80 HydrophobicContact CD1-CG1 4.3Å; F76-I80 HydrophobicContact CE1-CG1 3.7Å; F76-I80 HydrophobicContact CE2-CD1 4.37Å; F76-I80 HydrophobicContact CE2-CG1 4.07Å; F76-I80 HydrophobicContact CZ-CD1 3.98Å; F76-I80 HydrophobicContact CZ-CG1 3.57Å; F76-I80 PolarHBondContact O-N 2.98Å
77T95.1Very high90.1Very high91 Ų9155.6 Ų55.656%0.55833%0.334SS*.Hα-helixtrans-66.7-48.9178-50.10000109.8D75 I80 I81D75-T77 VanDerWaalsContact C-N 3.26Å; D75-T77 PolarHBondContact O-N 3.19Å; D75-T77 VanDerWaalsContact OD1-CA 3.26Å; D75-T77 WeakPolarHBondContact OD1-CA 3.5Å; D75-T77 WeakPolarHBondContact OD1-CB 3.44Å; D75-T77 PolarHBondContact OD1-N 2.68Å; T77-I80 PolarHBondContact O-N 2.92Å; T77-I81 HydrophobicContact CG2-CD1 4.26Å; T77-I81 WeakPolarHBondContact O-CG1 3.44Å; T77-I81 PolarHBondContact O-N 3.18Å
78E94.2Very high90.1Very high13 Ų1359 Ų596%0.06136%0.355CS..Hα-helixtrans-62.4-42.7178.1-68.4169.714700111.2L66 A68 V74 D75 I80 I81 L82L66-E78 WeakPolarHBondContact O-CB 3.47Å; L66-E78 VanDerWaalsContact O-CG 3.29Å; L66-E78 WeakPolarHBondContact O-CG 3.29Å; A68-E78 PolarHBondContact N-OE1 3.46Å; V74-E78 WeakPolarHBondContact CA-OE2 3.45Å; V74-E78 HydrophobicContact CG1-CB 3.74Å; D75-E78 PolarHBondContact N-OE2 3.04Å; D75-E78 PolarHBondContact O-N 3.01Å; D75-E78 PolarHBondContact OD1-N 2.94Å; E78-I80 PolarHBondContact O-N 2.83Å; E78-I81 PolarHBondContact O-N 3.4Å; E78-L82 PolarHBondContact O-N 2.93Å
79F92.9Very high89.8Confident3 Ų358 Ų581%0.01335%0.346CS..Hα-helixtrans-57-46.2172.6168.8-103.8000113F20 L33 L41 V74 D75 F76 I81 L82 M83F20-F79 HydrophobicContact CB-CD1 4.09Å; F20-F79 HydrophobicContact CB-CE1 4Å; F20-F79 HydrophobicContact CB-CZ 4.49Å; F20-F79 HydrophobicContact CD2-CB 3.73Å; F20-F79 AromaticContact CD2-CD1 3.75Å; F20-F79 HydrophobicContact CD2-CD1 3.75Å; F20-F79 HydrophobicContact CD2-CD2 4.15Å; F20-F79 HydrophobicContact CD2-CE1 4.41Å; F20-F79 AromaticContact CD2-CG 3.59Å; F20-F79 HydrophobicContact CD2-CG 3.59Å; F20-F79 HydrophobicContact CE2-CB 3.86Å; F20-F79 HydrophobicContact CE2-CG 4.23Å; F20-F79 HydrophobicContact CG-CD1 4.3Å; L33-F79 HydrophobicContact CD1-CD2 4.38Å; L41-F79 HydrophobicContact CD1-CD2 4.34Å; L41-F79 HydrophobicContact CD1-CE2 3.81Å; L41-F79 HydrophobicContact CD2-CE2 4.17Å; V74-F79 HydrophobicContact CG1-CB 4.27Å; D75-F79 WeakPolarHBondContact O-CB 3.34Å; D75-F79 PolarHBondContact O-N 3.31Å; F76-F79 HydrophobicContact CD2-CD1 4.06Å; F76-F79 AromaticContact CE2-CD1 3.95Å; F76-F79 HydrophobicContact CE2-CD1 3.95Å; F76-F79 HydrophobicContact CE2-CE1 4.25Å; F79-I81 VanDerWaalsContact C-N 3.33Å; F79-I81 PolarHBondContact O-N 3.15Å; F79-L82 WeakPolarHBondContact O-CB 3.13Å; F79-L82 PolarHBondContact O-N 3.12Å; F79-M83 HydrophobicContact CD1-CG 4.47Å; F79-M83 HydrophobicContact CD2-CG 4.46Å; F79-M83 HydrophobicContact CE1-CG 3.96Å; F79-M83 HydrophobicContact CE2-CE 4.02Å; F79-M83 HydrophobicContact CE2-CG 3.94Å; F79-M83 HydrophobicContact CE2-SD 4.1Å; F79-M83 HydrophobicContact CZ-CG 3.66Å; F79-M83 HydrophobicContact CZ-SD 4.04Å; F79-M83 WeakPolarHBondContact O-CG 3.44Å; F79-M83 PolarHBondContact O-N 3.07Å; F79-M83 VanDerWaalsContact O-N 3.13Å
80I93.3Very high89.3Confident58 Ų5855.1 Ų55.130%0.29733%0.333SS..Hα-helixtrans-69.1-32.1-179.6-79.8-52.2000112.5L16 F76 T77 E78 L82 M83 G84L16-I80 HydrophobicContact CB-CD1 4Å; L16-I80 HydrophobicContact CD1-CD1 3.85Å; L16-I80 HydrophobicContact CD2-CD1 4.32Å; L16-I80 HydrophobicContact CG-CD1 4.28Å; F76-I80 HydrophobicContact CD1-CG1 4.3Å; F76-I80 HydrophobicContact CE1-CG1 3.7Å; F76-I80 HydrophobicContact CE2-CD1 4.37Å; F76-I80 HydrophobicContact CE2-CG1 4.07Å; F76-I80 HydrophobicContact CZ-CD1 3.98Å; F76-I80 HydrophobicContact CZ-CG1 3.57Å; F76-I80 PolarHBondContact O-N 2.98Å; T77-I80 PolarHBondContact O-N 2.92Å; E78-I80 PolarHBondContact O-N 2.83Å; I80-L82 VanDerWaalsContact C-N 3.3Å; I80-L82 PolarHBondContact O-N 3.32Å; I80-M83 HydrophobicContact CD1-CB 4.44Å; I80-M83 HydrophobicContact CD1-CG 4.49Å; I80-M83 PolarHBondContact O-N 3.37Å; I80-G84 PolarHBondContact O-N 3.44Å
81I90Very high88.9Confident111 Ų11152.7 Ų52.757%0.56932%0.32SS*.Hα-helixtrans-60.8-42.6173.1-69.6165.8000110.1T77 E78 F79 M83 G84 A85T77-I81 HydrophobicContact CG2-CD1 4.26Å; T77-I81 WeakPolarHBondContact O-CG1 3.44Å; T77-I81 PolarHBondContact O-N 3.18Å; E78-I81 PolarHBondContact O-N 3.4Å; F79-I81 VanDerWaalsContact C-N 3.33Å; F79-I81 PolarHBondContact O-N 3.15Å; I81-M83 PolarHBondContact O-N 2.89Å; I81-G84 PolarHBondContact O-N 2.88Å; I81-A85 PolarHBondContact O-N 2.69Å
82L85.1Confident88.1Confident25 Ų2552.4 Ų52.413%0.13132%0.319CS..Hα-helixtrans-57.3-51172.3-17459.6000111.7L42 V62 L66 E78 F79 I80 G84 A85 L86L42-L82 HydrophobicContact CD2-CD2 4.1Å; V62-L82 HydrophobicContact CG1-CD2 4.35Å; L66-L82 HydrophobicContact CD1-CB 3.98Å; L66-L82 HydrophobicContact CD1-CD1 4.23Å; L66-L82 HydrophobicContact CD1-CD2 3.57Å; L66-L82 HydrophobicContact CD1-CG 4.08Å; L66-L82 HydrophobicContact CD2-CB 3.49Å; L66-L82 VanDerWaalsContact CD2-CB 3.49Å; L66-L82 HydrophobicContact CD2-CD1 3.94Å; L66-L82 HydrophobicContact CD2-CG 4.11Å; L66-L82 HydrophobicContact CG-CB 4.36Å; L66-L82 HydrophobicContact CG-CD1 4.44Å; E78-L82 PolarHBondContact O-N 2.93Å; F79-L82 WeakPolarHBondContact O-CB 3.13Å; F79-L82 PolarHBondContact O-N 3.12Å; I80-L82 VanDerWaalsContact C-N 3.3Å; I80-L82 PolarHBondContact O-N 3.32Å; L82-G84 PolarHBondContact O-N 2.95Å; L82-A85 PolarHBondContact O-N 3.47Å; L82-A85 VanDerWaalsContact O-N 3.13Å; L82-L86 HydrophobicContact CD1-CD1 4.31Å; L82-L86 HydrophobicContact CD1-CG 4.28Å; L82-L86 HydrophobicContact CD2-CD1 4.43Å; L82-L86 HydrophobicContact CG-CD1 4.02Å; L82-L86 HydrophobicContact CG-CG 4.37Å; L82-L86 WeakPolarHBondContact O-CG 3.5Å; L82-L86 PolarHBondContact O-N 2.92Å
83M89.4Confident86.8Confident24 Ų2457.1 Ų57.112%0.11833%0.327CS..Hα-helixtrans-62.5-37.6-176-65.9-59.7101.400110.8L16 L46 F79 I80 I81 L86 T87L16-M83 HydrophobicContact CD2-CB 4.21Å; L16-M83 HydrophobicContact CD2-CG 3.91Å; L16-M83 HydrophobicContact CD2-SD 4.42Å; L46-M83 HydrophobicContact CD1-CE 3.88Å; F79-M83 HydrophobicContact CD1-CG 4.47Å; F79-M83 HydrophobicContact CD2-CG 4.46Å; F79-M83 HydrophobicContact CE1-CG 3.96Å; F79-M83 HydrophobicContact CE2-CE 4.02Å; F79-M83 HydrophobicContact CE2-CG 3.94Å; F79-M83 HydrophobicContact CE2-SD 4.1Å; F79-M83 HydrophobicContact CZ-CG 3.66Å; F79-M83 HydrophobicContact CZ-SD 4.04Å; F79-M83 WeakPolarHBondContact O-CG 3.44Å; F79-M83 PolarHBondContact O-N 3.07Å; F79-M83 VanDerWaalsContact O-N 3.13Å; I80-M83 HydrophobicContact CD1-CB 4.44Å; I80-M83 HydrophobicContact CD1-CG 4.49Å; I80-M83 PolarHBondContact O-N 3.37Å; I81-M83 PolarHBondContact O-N 2.89Å; M83-L86 HydrophobicContact CE-CD1 3.74Å; M83-T87 VanDerWaalsContact O-CB 3.27Å; M83-T87 WeakPolarHBondContact O-CB 3.35Å; M83-T87 PolarHBondContact O-N 3.46Å; M83-T87 PolarHBondContact O-OG1 2.66Å
84G89.8Confident85Confident36 Ų3661.3 Ų61.337%0.37135%0.345SS..Hα-helixtrans-60.7-50.8171.100000112.1I80 I81 L82 L86 T87 V88I80-G84 PolarHBondContact O-N 3.44Å; I81-G84 PolarHBondContact O-N 2.88Å; L82-G84 PolarHBondContact O-N 2.95Å; G84-L86 PolarHBondContact O-N 3.01Å; G84-T87 PolarHBondContact O-N 3.37Å; G84-V88 WeakPolarHBondContact O-CG2 3.44Å; G84-V88 PolarHBondContact O-N 3.3Å
85A84.6Confident83.3Confident60 Ų6065.4 Ų65.450%0.49637%0.367SS..Hα-helixtrans-60.4-45.5179.600000112.3I81 L82 V88 A89I81-A85 PolarHBondContact O-N 2.69Å; L82-A85 PolarHBondContact O-N 3.47Å; L82-A85 VanDerWaalsContact O-N 3.13Å; A85-V88 PolarHBondContact O-N 2.91Å; A85-A89 PolarHBondContact O-N 2.97Å
86L82.6Confident81.4Confident34 Ų3469.9 Ų69.918%0.17839%0.39CS..Hα-helixtrans-60.7-45.9174.1-70.6174.2000111L46 L50 L82 M83 G84 V88 A89 C90L46-L86 HydrophobicContact CD1-CD1 3.88Å; L50-L86 HydrophobicContact CD2-CD2 4.38Å; L82-L86 HydrophobicContact CD1-CD1 4.31Å; L82-L86 HydrophobicContact CD1-CG 4.28Å; L82-L86 HydrophobicContact CD2-CD1 4.43Å; L82-L86 HydrophobicContact CG-CD1 4.02Å; L82-L86 HydrophobicContact CG-CG 4.37Å; L82-L86 WeakPolarHBondContact O-CG 3.5Å; L82-L86 PolarHBondContact O-N 2.92Å; M83-L86 HydrophobicContact CE-CD1 3.74Å; G84-L86 PolarHBondContact O-N 3.01Å; L86-V88 VanDerWaalsContact C-N 3.31Å; L86-V88 PolarHBondContact O-N 3.43Å; L86-A89 PolarHBondContact O-N 3.44Å; L86-C90 PolarHBondContact O-N 2.93Å; L86-C90 PolarHBondContact O-SG 3.49Å
87T87.6Confident79.4Confident92 Ų9269.7 Ų69.756%0.56440%0.398SS*.Hα-helixtrans-61.2-39.7179.1-59.30000112M83 G84 C90 N91M83-T87 VanDerWaalsContact O-CB 3.27Å; M83-T87 WeakPolarHBondContact O-CB 3.35Å; M83-T87 PolarHBondContact O-N 3.46Å; M83-T87 PolarHBondContact O-OG1 2.66Å; G84-T87 PolarHBondContact O-N 3.37Å; T87-C90 WeakPolarHBondContact O-CB 3.3Å; T87-C90 PolarHBondContact O-N 3.29Å; T87-N91 VanDerWaalsContact O-CB 3.29Å; T87-N91 WeakPolarHBondContact O-CB 3.37Å; T87-N91 PolarHBondContact O-N 3.43Å
88V86.4Confident77.3Confident84 Ų8472.2 Ų72.251%0.50940%0.401SS..Hα-helixtrans-64.2-47.5174.6171.50000110.5G84 A85 L86 C90 N91 D92G84-V88 WeakPolarHBondContact O-CG2 3.44Å; G84-V88 PolarHBondContact O-N 3.3Å; A85-V88 PolarHBondContact O-N 2.91Å; L86-V88 VanDerWaalsContact C-N 3.31Å; L86-V88 PolarHBondContact O-N 3.43Å; V88-C90 VanDerWaalsContact C-N 3.32Å; V88-C90 PolarHBondContact O-N 2.92Å; V88-N91 WeakPolarHBondContact O-CB 3.5Å; V88-N91 PolarHBondContact O-N 3.21Å; V88-N91 VanDerWaalsContact O-N 3.07Å; V88-D92 PolarHBondContact O-N 2.93Å
89A80.1Confident75.3Confident58 Ų5877.2 Ų77.248%0.47944%0.435SS..Hα-helixtrans-60.1-40.6176.800000112.4A85 L86 F93A85-A89 PolarHBondContact O-N 2.97Å; L86-A89 PolarHBondContact O-N 3.44Å; A89-F93 PolarHBondContact O-N 3.33Å
90C77Confident73.4Confident29 Ų2984.1 Ų84.120%0.19647%0.472CS..Hα-helixtrans-59.8-48.5171.6-61.70000111Y49 L86 T87 V88 D92 F93 F94Y49-C90 PolarHBondContact OH-SG 3.14Å; L86-C90 PolarHBondContact O-N 2.93Å; L86-C90 PolarHBondContact O-SG 3.49Å; T87-C90 WeakPolarHBondContact O-CB 3.3Å; T87-C90 PolarHBondContact O-N 3.29Å; V88-C90 VanDerWaalsContact C-N 3.32Å; V88-C90 PolarHBondContact O-N 2.92Å; C90-D92 PolarHBondContact O-N 3.4Å; C90-F93 WeakPolarHBondContact O-CB 3.23Å; C90-F93 PolarHBondContact O-N 3.24Å; C90-F94 WeakPolarHBondContact O-CD2 3.37Å; C90-F94 PolarHBondContact O-N 3.23Å
91N80.5Confident71.6Confident80 Ų8088.9 Ų88.943%0.42850%0.498SS..Hα-helixtrans-61.3-43.6-177.1174.880.1000111.7T87 V88 F93 F94 L95T87-N91 VanDerWaalsContact O-CB 3.29Å; T87-N91 WeakPolarHBondContact O-CB 3.37Å; T87-N91 PolarHBondContact O-N 3.43Å; V88-N91 WeakPolarHBondContact O-CB 3.5Å; V88-N91 PolarHBondContact O-N 3.21Å; V88-N91 VanDerWaalsContact O-N 3.07Å; N91-F93 VanDerWaalsContact C-N 3.34Å; N91-F93 PolarHBondContact O-N 3.38Å; N91-F94 PolarHBondContact O-N 2.55Å; N91-F94 VanDerWaalsContact O-N 3.14Å; N91-L95 WeakPolarHBondContact ND2-CD1 3.18Å; N91-L95 WeakPolarHBondContact O-CG 3.49Å; N91-L95 PolarHBondContact O-N 2.76Å
92D72.9Confident69.8Low81 Ų8192.9 Ų92.943%0.43351%0.511SS..Hα-helixtrans-63.2-42.5177.9-66.8-11.2000110.9V88 C90 F94 L95 D96V88-D92 PolarHBondContact O-N 2.93Å; C90-D92 PolarHBondContact O-N 3.4Å; D92-F94 VanDerWaalsContact C-N 3.29Å; D92-F94 PolarHBondContact O-N 3.45Å; D92-L95 PolarHBondContact O-N 2.96Å; D92-L95 VanDerWaalsContact O-N 3.12Å; D92-D96 WeakPolarHBondContact O-CB 3.16Å; D92-D96 PolarHBondContact O-N 3.17Å
93F62.5Low67.9Low140 Ų14094.2 Ų94.261%0.61453%0.531SS*.Hα-helixtrans-58.5-38.5172.8-178.5-93.6000112.8A89 C90 N91 S97A89-F93 PolarHBondContact O-N 3.33Å; C90-F93 WeakPolarHBondContact O-CB 3.23Å; C90-F93 PolarHBondContact O-N 3.24Å; N91-F93 VanDerWaalsContact C-N 3.34Å; N91-F93 PolarHBondContact O-N 3.38Å; F93-S97 WeakPolarHBondContact O-CB 3.45Å; F93-S97 PolarHBondContact O-N 3.23Å; F93-S97 PolarHBondContact O-OG 3.34Å
94F55.7Low66.2Low145 Ų145102.5 Ų102.564%0.63657%0.566SS**Hα-helixtrans-74.7-26.2176.6-83.6-70.7000113.8C90 N91 D92 S97C90-F94 WeakPolarHBondContact O-CD2 3.37Å; C90-F94 PolarHBondContact O-N 3.23Å; N91-F94 PolarHBondContact O-N 2.55Å; N91-F94 VanDerWaalsContact O-N 3.14Å; D92-F94 VanDerWaalsContact C-N 3.29Å; D92-F94 PolarHBondContact O-N 3.45Å; F94-S97 WeakPolarHBondContact CA-OG 3.09Å; F94-S97 PolarHBondContact O-OG 3.22Å
95L58.9Low64.2Low86 Ų86108.9 Ų108.945%0.4559%0.592SS.*Hα-helixtrans-81.5-34.8177-70.6177.1000112.4N91 D92 S97N91-L95 WeakPolarHBondContact ND2-CD1 3.18Å; N91-L95 WeakPolarHBondContact O-CG 3.49Å; N91-L95 PolarHBondContact O-N 2.76Å; D92-L95 PolarHBondContact O-N 2.96Å; D92-L95 VanDerWaalsContact O-N 3.12Å; L95-S97 VanDerWaalsContact C-N 3.31Å
96D56.2Low62.3Low146 Ų146109.5 Ų109.578%0.78161%0.605SS**Hα-helixtrans-75.8-17.5177.2-78.8-7.2000113.4D92D92-D96 WeakPolarHBondContact O-CB 3.16Å; D92-D96 PolarHBondContact O-N 3.17Å
97S53.7Low60.8Low67 Ų67112.9 Ų112.947%0.46964%0.637SS.*THydrogen-bonded Turntrans-92.417.9-179.946.60000114.6F93 F94 L95 P99F93-S97 WeakPolarHBondContact O-CB 3.45Å; F93-S97 PolarHBondContact O-N 3.23Å; F93-S97 PolarHBondContact O-OG 3.34Å; F94-S97 WeakPolarHBondContact CA-OG 3.09Å; F94-S97 PolarHBondContact O-OG 3.22Å; L95-S97 VanDerWaalsContact C-N 3.31Å; S97-P99 WeakPolarHBondContact O-CD 3.47Å
98K49.3Very low58.8Low144 Ų144116.5 Ų116.563%0.62665%0.648SS**  trans-60.7125.1167.7-79.6-163.4-178.571.10109.1D100K98-D100 PolarHBondContact O-N 3.06Å
99P53Low57.2Low119 Ų119122 Ų12277%0.77367%0.665SS**  trans-63126.2170.226.7-30.3000107.1S97 D101S97-P99 WeakPolarHBondContact O-CD 3.47Å; P99-D101 PolarHBondContact O-N 3.23Å
100D53.6Low55.7Low148 Ų148127.4 Ų127.479%0.79168%0.677SS**  trans-45.3119.4172.7-70-52.3000109.6K98 K102K98-D100 PolarHBondContact O-N 3.06Å; D100-K102 PolarHBondContact O-N 2.82Å
101D54.8Low54.7Low157 Ų157136.9 Ų136.984%0.8473%0.726SS**  trans-61.490.7161.3-176.929.7000106.8P99 G103P99-D101 PolarHBondContact O-N 3.23Å; D101-G103 PolarHBondContact O-N 2.83Å
102K51.9Low53.4Low195 Ų195139.8 Ų139.885%0.84874%0.741SS**  trans-70.181.2163.8-79.3-168179.4178.20107.4D100 K104D100-K102 PolarHBondContact O-N 2.82Å; K102-K104 PolarHBondContact O-N 3.47Å
103G44.9Very low52.4Low54 Ų54142.8 Ų142.856%0.55776%0.758SS**  trans-46.1130.9161.800000110.1D101 D105D101-G103 PolarHBondContact O-N 2.83Å; G103-D105 PolarHBondContact O-N 3.4Å
104K54.1Low51.9Low197 Ų197143 Ų14386%0.85777%0.766SS**  trans-52.5129.2159.9-71.7171174.3172.60109.1K102K102-K104 PolarHBondContact O-N 3.47Å
105D48.3Very low51.6Low171 Ų171142.9 Ų142.991%0.91477%0.773SS**  trans174.8135.7142.7-81.6-24.4000105.9G103G103-D105 PolarHBondContact O-N 3.4Å
106G43.6Very low51.2Low73 Ų73146.4 Ų146.475%0.75379%0.793SS**  cis-159.8170.88.800000109.5
107A51.6Low50.8Low105 Ų105146.5 Ų146.587%0.86879%0.794SS**  trans-67.5144.7179.900000113
108E45.1Very low50.6Low168 Ų168152.1 Ų152.179%0.78582%0.817SS**  trans-145.3113.8142.7-149.3172.5133.200110.1
109K52.5Low50.7Low199 Ų199152.8 Ų152.887%0.86583%0.832SS**  trans-57.4141.3161.8-79.4173.5169.8176.90108.7
110K49.6Very low50.5Low171 Ų171155.6 Ų155.674%0.74384%0.837SS**  trans-145.5109.8147.6-108.9171.4-173.2167.90110
111D56.7Low50.3Low229 Ų229156.3 Ų156.3100%1.22584%0.841SS**  trans48.90150.2-49.4-40.7000120.3

Retrieved 111 of 111 residues in 98.7 ms (Link to these results)