Q99P83_RAT Loading...

Homeobox protein SIX1

AlphaFold DB , UniProt , Accession Q99P83, Species RAT (Rattus norvegicus, Rat), Gene Six1, Length 272 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
1F49.7Very low81.8Confident261 Ų26190.3 Ų90.3100%1.14548%0.484SS*.  0112.40-87.2-90.6000108.4
2G69.6Low82.6Confident74 Ų7482.8 Ų82.876%0.76344%0.443SS*.PPolyproline II helixtrans-88127.7174.400000109.4
3F74.8Confident83.2Confident121 Ų12179.8 Ų79.853%0.53143%0.426SS..PPolyproline II helixtrans-75147171.1-67.9-77.7000110.2Q7 V8 F27F3-Q7 HydrophobicContact CB-CB 4.26Å; F3-Q7 HydrophobicContact CD1-CB 4.18Å; F3-V8 HydrophobicContact CB-CG2 3.52Å; F3-V8 HydrophobicContact CG-CG2 4.39Å; F3-F27 HydrophobicContact CD2-CE2 4.41Å; F3-F27 HydrophobicContact CE2-CE2 4.28Å
4T86.2Confident83.9Confident68 Ų6880.6 Ų80.642%0.41743%0.434SS..PPolyproline II helixtrans-73162.6167.572.60000110.6E6 Q7 V8T4-E6 VanDerWaalsContact C-N 3.28Å; T4-E6 PolarHBondContact O-N 3.45Å; T4-Q7 PolarHBondContact O-N 3.41Å; T4-Q7 VanDerWaalsContact OG1-CG 3.25Å; T4-Q7 WeakPolarHBondContact OG1-CG 3.36Å; T4-Q7 PolarHBondContact OG1-N 3.39Å; T4-V8 WeakPolarHBondContact O-CG2 3.35Å; T4-V8 PolarHBondContact O-N 3.3Å
5Q84.1Confident84.5Confident78 Ų7876.7 Ų76.736%0.36441%0.413SS..Hα-helixtrans-59-40.6179-170.3-17816.400112.2V8 A9 H36 L37 N40Q5-V8 PolarHBondContact O-N 3.19Å; Q5-A9 WeakPolarHBondContact O-CB 3.34Å; Q5-A9 PolarHBondContact O-N 3.36Å; Q5-H36 PolarHBondContact NE2-O 2.84Å; Q5-L37 HydrophobicContact CB-CD1 4.36Å; Q5-L37 HydrophobicContact CG-CD1 4.13Å; Q5-N40 HydrophobicContact CG-CB 4.22Å; Q5-N40 WeakPolarHBondContact CG-ND2 3.41Å; Q5-N40 PolarHBondContact NE2-ND2 3.43Å; Q5-N40 VanDerWaalsContact NE2-ND2 3.16Å
6E85.8Confident84.8Confident160 Ų16073.8 Ų73.875%0.74840%0.396SS*.Hα-helixtrans-65.5-41.2177.4-67.1163.4-17800111.8T4 A9 C10T4-E6 VanDerWaalsContact C-N 3.28Å; T4-E6 PolarHBondContact O-N 3.45Å; E6-A9 PolarHBondContact O-N 3.41Å; E6-C10 VanDerWaalsContact O-CB 3.3Å; E6-C10 WeakPolarHBondContact O-CB 3.49Å; E6-C10 PolarHBondContact O-N 3.38Å
7Q88.9Confident85.1Confident94 Ų9479 Ų7944%0.43942%0.417SS..Hα-helixtrans-63.8-43.9175.2-72169.5-12.800111F3 T4 C10 V11F3-Q7 HydrophobicContact CB-CB 4.26Å; F3-Q7 HydrophobicContact CD1-CB 4.18Å; T4-Q7 PolarHBondContact O-N 3.41Å; T4-Q7 VanDerWaalsContact OG1-CG 3.25Å; T4-Q7 WeakPolarHBondContact OG1-CG 3.36Å; T4-Q7 PolarHBondContact OG1-N 3.39Å; Q7-C10 PolarHBondContact O-N 3.4Å; Q7-V11 VanDerWaalsContact O-CG2 3.27Å; Q7-V11 WeakPolarHBondContact O-CG2 3.45Å; Q7-V11 PolarHBondContact O-N 3.43Å
8V90Very high85.3Confident1 Ų177.4 Ų77.41%0.00642%0.423CS..Hα-helixtrans-62.9-44176.3174.50000111.2F3 T4 Q5 V11 C12 F27 L31 L37 V43F3-V8 HydrophobicContact CB-CG2 3.52Å; F3-V8 HydrophobicContact CG-CG2 4.39Å; T4-V8 WeakPolarHBondContact O-CG2 3.35Å; T4-V8 PolarHBondContact O-N 3.3Å; Q5-V8 PolarHBondContact O-N 3.19Å; V8-V11 PolarHBondContact O-N 3.31Å; V8-C12 WeakPolarHBondContact O-CB 3.49Å; V8-C12 PolarHBondContact O-N 3.26Å; V8-C12 PolarHBondContact O-SG 3.14Å; V8-F27 HydrophobicContact CB-CZ 4.41Å; V8-F27 HydrophobicContact CG1-CE1 3.95Å; V8-F27 HydrophobicContact CG1-CZ 4.06Å; V8-F27 HydrophobicContact CG2-CZ 4.27Å; V8-L31 HydrophobicContact CG1-CD1 3.77Å; V8-L31 HydrophobicContact CG1-CD2 3.85Å; V8-L31 HydrophobicContact CG1-CG 4.49Å; V8-L31 HydrophobicContact CG2-CD2 3.91Å; V8-L37 HydrophobicContact CB-CD1 3.88Å; V8-L37 HydrophobicContact CG1-CD1 3.91Å; V8-L37 HydrophobicContact CG1-CG 4.5Å; V8-L37 HydrophobicContact CG2-CD1 3.98Å; V8-L37 HydrophobicContact CG2-CD2 4.41Å; V8-V43 HydrophobicContact CG1-CG2 3.69Å
9A88.8Confident85.5Confident14 Ų1476.1 Ų76.112%0.11643%0.429CS..Hα-helixtrans-60.2-48.4176.500000111.2Q5 E6 V11 C12 E13Q5-A9 WeakPolarHBondContact O-CB 3.34Å; Q5-A9 PolarHBondContact O-N 3.36Å; E6-A9 PolarHBondContact O-N 3.41Å; A9-V11 PolarHBondContact O-N 3.22Å; A9-C12 WeakPolarHBondContact O-CB 3.11Å; A9-C12 PolarHBondContact O-N 3.05Å; A9-C12 VanDerWaalsContact O-N 3.14Å; A9-E13 WeakPolarHBondContact O-CG 3.31Å; A9-E13 PolarHBondContact O-N 3.07Å
10C90.9Very high85.7Confident77 Ų7776.9 Ų76.952%0.5243%0.432SS..Hα-helixtrans-57.5-48.1176.8-1780000112E6 Q7 C12 E13 V14E6-C10 VanDerWaalsContact O-CB 3.3Å; E6-C10 WeakPolarHBondContact O-CB 3.49Å; E6-C10 PolarHBondContact O-N 3.38Å; Q7-C10 PolarHBondContact O-N 3.4Å; C10-C12 VanDerWaalsContact C-N 3.3Å; C10-C12 PolarHBondContact O-N 3.26Å; C10-E13 PolarHBondContact O-N 3.29Å; C10-V14 WeakPolarHBondContact O-CG2 3.28Å; C10-V14 PolarHBondContact O-N 2.68Å
11V91.3Very high86Confident45 Ų4575 Ų7527%0.27342%0.421SS..Hα-helixtrans-60.5-40.2176.8173.10000111.4Q7 V8 A9 V14 L15 F27Q7-V11 VanDerWaalsContact O-CG2 3.27Å; Q7-V11 WeakPolarHBondContact O-CG2 3.45Å; Q7-V11 PolarHBondContact O-N 3.43Å; V8-V11 PolarHBondContact O-N 3.31Å; A9-V11 PolarHBondContact O-N 3.22Å; V11-V14 PolarHBondContact O-N 2.92Å; V11-L15 HydrophobicContact CG1-CD1 3.73Å; V11-L15 HydrophobicContact CG1-CG 4.21Å; V11-L15 WeakPolarHBondContact O-CB 3.49Å; V11-L15 VanDerWaalsContact O-CG 3.29Å; V11-L15 WeakPolarHBondContact O-CG 3.43Å; V11-L15 PolarHBondContact O-N 3.03Å; V11-F27 HydrophobicContact CB-CE1 3.96Å; V11-F27 HydrophobicContact CB-CZ 3.87Å; V11-F27 HydrophobicContact CG1-CD1 3.9Å; V11-F27 HydrophobicContact CG1-CD2 4.22Å; V11-F27 HydrophobicContact CG1-CE1 3.59Å; V11-F27 HydrophobicContact CG1-CE2 3.95Å; V11-F27 HydrophobicContact CG1-CG 4.19Å; V11-F27 HydrophobicContact CG1-CZ 3.61Å; V11-F27 HydrophobicContact CG2-CZ 4.49Å
12C91.8Very high88.1Confident0 Ų066.8 Ų66.80%039%0.386CS..Hα-helixtrans-61.4-43.9175.9-71.90000112.2V8 A9 C10 Q16 L24 A46V8-C12 WeakPolarHBondContact O-CB 3.49Å; V8-C12 PolarHBondContact O-N 3.26Å; V8-C12 PolarHBondContact O-SG 3.14Å; A9-C12 WeakPolarHBondContact O-CB 3.11Å; A9-C12 PolarHBondContact O-N 3.05Å; A9-C12 VanDerWaalsContact O-N 3.14Å; C10-C12 VanDerWaalsContact C-N 3.3Å; C10-C12 PolarHBondContact O-N 3.26Å; C12-Q16 WeakPolarHBondContact O-CB 3.34Å; C12-Q16 VanDerWaalsContact O-CG 3.24Å; C12-Q16 WeakPolarHBondContact O-CG 3.33Å; C12-Q16 PolarHBondContact O-N 2.86Å; C12-Q16 VanDerWaalsContact O-N 3.15Å; C12-Q16 PolarHBondContact O-NE2 3.48Å; C12-L24 HydrophobicContact CB-CD1 4.44Å; C12-A46 HydrophobicContact CB-CB 3.96Å
13E89.9Confident89.1Confident45 Ų4571.5 Ų71.521%0.2138%0.381CS..Hα-helixtrans-66-46.7178.4-64.1-57.4147.300111.5A9 C10 L15 Q16 Q17 S42 K45A9-E13 WeakPolarHBondContact O-CG 3.31Å; A9-E13 PolarHBondContact O-N 3.07Å; C10-E13 PolarHBondContact O-N 3.29Å; E13-L15 PolarHBondContact O-N 3.2Å; E13-Q16 PolarHBondContact O-N 2.76Å; E13-Q17 WeakPolarHBondContact O-CG 3.37Å; E13-Q17 PolarHBondContact O-N 3.36Å; E13-S42 WeakPolarHBondContact OE1-CB 3.4Å; E13-S42 PolarHBondContact OE1-OG 3.34Å; E13-K45 WeakPolarHBondContact OE1-CE 3.48Å; E13-K45 IonicContact OE1-NZ 3.6Å; E13-K45 PolarHBondContact OE1-NZ 3.47Å; E13-K45 IonicContact OE2-NZ 3.27Å; E13-K45 PolarHBondContact OE2-NZ 3.22Å
14V93.4Very high90Very high90 Ų9065.7 Ų65.755%0.54536%0.355SS..Hα-helixtrans-61.7-45.4-179.4172.20000111.4C10 V11 Q16 Q17 G18C10-V14 WeakPolarHBondContact O-CG2 3.28Å; C10-V14 PolarHBondContact O-N 2.68Å; V11-V14 PolarHBondContact O-N 2.92Å; V14-Q16 VanDerWaalsContact C-N 3.31Å; V14-Q16 PolarHBondContact O-N 3.18Å; V14-Q17 PolarHBondContact O-N 3.29Å; V14-G18 PolarHBondContact O-N 3.29Å
15L91.9Very high90.3Very high22 Ų2262.6 Ų62.612%0.11534%0.337CS..Hα-helixtrans-66.9-32.9179-71.2177.2000112.5V11 E13 G19 N20 R23 L24 F27V11-L15 HydrophobicContact CG1-CD1 3.73Å; V11-L15 HydrophobicContact CG1-CG 4.21Å; V11-L15 WeakPolarHBondContact O-CB 3.49Å; V11-L15 VanDerWaalsContact O-CG 3.29Å; V11-L15 WeakPolarHBondContact O-CG 3.43Å; V11-L15 PolarHBondContact O-N 3.03Å; E13-L15 PolarHBondContact O-N 3.2Å; L15-G19 PolarHBondContact O-N 2.85Å; L15-N20 HydrophobicContact CD2-CB 4.47Å; L15-N20 PolarHBondContact O-N 3.15Å; L15-R23 HydrophobicContact CD2-CB 4.4Å; L15-R23 HydrophobicContact CD2-CG 4.16Å; L15-L24 HydrophobicContact CB-CB 4.17Å; L15-L24 HydrophobicContact CB-CD1 4.01Å; L15-L24 HydrophobicContact CD1-CB 4.37Å; L15-L24 HydrophobicContact CD1-CD1 4.08Å; L15-F27 HydrophobicContact CD1-CB 4.25Å; L15-F27 HydrophobicContact CD1-CD1 4.46Å; L15-F27 HydrophobicContact CD1-CG 4.44Å
16Q90.3Very high90.7Very high31 Ų3166.6 Ų66.615%0.14535%0.349CS..Hα-helixtrans-68.5-46.3173.5-78.2172.283.700111.8C12 E13 V14 G18 G19 L24C12-Q16 WeakPolarHBondContact O-CB 3.34Å; C12-Q16 VanDerWaalsContact O-CG 3.24Å; C12-Q16 WeakPolarHBondContact O-CG 3.33Å; C12-Q16 PolarHBondContact O-N 2.86Å; C12-Q16 VanDerWaalsContact O-N 3.15Å; C12-Q16 PolarHBondContact O-NE2 3.48Å; E13-Q16 PolarHBondContact O-N 2.76Å; V14-Q16 VanDerWaalsContact C-N 3.31Å; V14-Q16 PolarHBondContact O-N 3.18Å; Q16-G18 VanDerWaalsContact C-N 3.31Å; Q16-G18 PolarHBondContact O-N 3.23Å; Q16-G19 PolarHBondContact O-N 3.5Å; Q16-G19 VanDerWaalsContact O-N 3.14Å; Q16-L24 HydrophobicContact CG-CD2 3.51Å
17Q90.2Very high91Very high162 Ų16260.2 Ų60.276%0.75732%0.319SS*.Hα-helixtrans-63.7-38.3178.4-71178.517.500111.8E13 V14 G19E13-Q17 WeakPolarHBondContact O-CG 3.37Å; E13-Q17 PolarHBondContact O-N 3.36Å; V14-Q17 PolarHBondContact O-N 3.29Å; Q17-G19 PolarHBondContact O-N 3.47Å
18G88.4Confident91.1Very high50 Ų5056.5 Ų56.552%0.51530%0.302SS..THydrogen-bonded Turntrans-75.4-0.8175.600000115V14 Q16 N20V14-G18 PolarHBondContact O-N 3.29Å; Q16-G18 VanDerWaalsContact C-N 3.31Å; Q16-G18 PolarHBondContact O-N 3.23Å; G18-N20 PolarHBondContact O-N 3.05Å; G18-N20 VanDerWaalsContact O-N 3.14Å; G18-N20 PolarHBondContact O-ND2 3.22Å
19G88.6Confident91.1Very high52 Ų5267.5 Ų67.554%0.53634%0.343SS..THydrogen-bonded Turntrans68.28.6178.200000115.6L15 Q16 Q17 L21L15-G19 PolarHBondContact O-N 2.85Å; Q16-G19 PolarHBondContact O-N 3.5Å; Q16-G19 VanDerWaalsContact O-N 3.14Å; Q17-G19 PolarHBondContact O-N 3.47Å; G19-L21 VanDerWaalsContact C-N 3.28Å; G19-L21 PolarHBondContact O-N 3.19Å
20N90.6Very high91.1Very high93 Ų9370.6 Ų70.650%0.49736%0.364SS..  trans-8563.6-175-76.3-64.3000111.9L15 G18 E22 R23 L24L15-N20 HydrophobicContact CD2-CB 4.47Å; L15-N20 PolarHBondContact O-N 3.15Å; G18-N20 PolarHBondContact O-N 3.05Å; G18-N20 VanDerWaalsContact O-N 3.14Å; G18-N20 PolarHBondContact O-ND2 3.22Å; N20-E22 VanDerWaalsContact C-N 3.31Å; N20-E22 PolarHBondContact O-N 3.38Å; N20-R23 HydrophobicContact CB-CB 4.2Å; N20-R23 PolarHBondContact O-N 2.57Å; N20-R23 VanDerWaalsContact O-N 3.13Å; N20-L24 PolarHBondContact O-N 3.36Å
21L91.8Very high91Very high37 Ų3767.7 Ų67.719%0.19434%0.343CS..Hα-helixtrans-65-31.2-171.4-58.3-176.4000113.7G19 L24 G25 V49 H53G19-L21 VanDerWaalsContact C-N 3.28Å; G19-L21 PolarHBondContact O-N 3.19Å; L21-L24 HydrophobicContact CD2-CD2 4.28Å; L21-L24 WeakPolarHBondContact O-CB 3.42Å; L21-L24 PolarHBondContact O-N 3.01Å; L21-G25 PolarHBondContact O-N 3.43Å; L21-V49 HydrophobicContact CD1-CG1 4.29Å; L21-V49 HydrophobicContact CD2-CG1 3.57Å; L21-H53 HydrophobicContact CD1-CB 3.89Å; L21-H53 VanDerWaalsContact CD1-CD2 3.46Å; L21-H53 WeakPolarHBondContact CD1-CD2 3.44Å
22E92.3Very high90.7Very high88 Ų8869.5 Ų69.541%0.41136%0.356SS..Hα-helixtrans-68.7-35.7175-70.5-53.9131.100112.7N20 R26 H53N20-E22 VanDerWaalsContact C-N 3.31Å; N20-E22 PolarHBondContact O-N 3.38Å; E22-R26 WeakPolarHBondContact O-CG 3.37Å; E22-R26 PolarHBondContact O-N 3.11Å; E22-R26 PolarHBondContact O-NH1 2.99Å; E22-H53 IonicContact OE1-CE1 3.11Å; E22-H53 PolarHBondContact OE1-CE1 3.43Å; E22-H53 IonicContact OE1-ND1 3.94Å; E22-H53 PolarHBondContact OE1-ND1 3.27Å
23R92.1Very high89.8Confident173 Ų17374.5 Ų74.565%0.65340%0.397SS*.Hα-helixtrans-72.5-39.9175-168.8172.4-176.5167.91110.5L15 N20 G25 R26 F27L15-R23 HydrophobicContact CD2-CB 4.4Å; L15-R23 HydrophobicContact CD2-CG 4.16Å; N20-R23 HydrophobicContact CB-CB 4.2Å; N20-R23 PolarHBondContact O-N 2.57Å; N20-R23 VanDerWaalsContact O-N 3.13Å; R23-G25 VanDerWaalsContact C-N 3.34Å; R23-G25 PolarHBondContact O-N 2.92Å; R23-R26 PolarHBondContact O-N 3.27Å; R23-F27 WeakPolarHBondContact O-CB 3.41Å; R23-F27 PolarHBondContact O-N 3.29Å
24L92.9Very high89.2Confident0 Ų075.2 Ų75.20%041%0.406CS..Hα-helixtrans-58.8-45.1173.5-176.560.6000111.7C12 L15 Q16 N20 L21 R26 F27 L28 A46 V50C12-L24 HydrophobicContact CB-CD1 4.44Å; L15-L24 HydrophobicContact CB-CB 4.17Å; L15-L24 HydrophobicContact CB-CD1 4.01Å; L15-L24 HydrophobicContact CD1-CB 4.37Å; L15-L24 HydrophobicContact CD1-CD1 4.08Å; Q16-L24 HydrophobicContact CG-CD2 3.51Å; N20-L24 PolarHBondContact O-N 3.36Å; L21-L24 HydrophobicContact CD2-CD2 4.28Å; L21-L24 WeakPolarHBondContact O-CB 3.42Å; L21-L24 PolarHBondContact O-N 3.01Å; L24-R26 PolarHBondContact O-N 3.35Å; L24-F27 PolarHBondContact O-N 3.48Å; L24-L28 HydrophobicContact CD1-CD1 4.4Å; L24-L28 HydrophobicContact CD1-CG 4.31Å; L24-L28 HydrophobicContact CG-CD1 4.12Å; L24-L28 HydrophobicContact CG-CG 4.46Å; L24-L28 WeakPolarHBondContact O-CB 3.31Å; L24-L28 VanDerWaalsContact O-CG 3.28Å; L24-L28 WeakPolarHBondContact O-CG 3.31Å; L24-L28 PolarHBondContact O-N 3.06Å; L24-A46 HydrophobicContact CD1-CB 3.98Å; L24-A46 HydrophobicContact CD2-CB 4.04Å; L24-A46 HydrophobicContact CG-CB 4.29Å; L24-V50 HydrophobicContact CB-CG2 4.17Å; L24-V50 HydrophobicContact CD2-CG2 3.8Å; L24-V50 HydrophobicContact CG-CG2 3.8Å
25G92Very high88.3Confident3 Ų376.9 Ų76.93%0.03141%0.412CS..Hα-helixtrans-61-40.6177.500000113.4L21 R23 W29L21-G25 PolarHBondContact O-N 3.43Å; R23-G25 VanDerWaalsContact C-N 3.34Å; R23-G25 PolarHBondContact O-N 2.92Å; G25-W29 PolarHBondContact O-N 3.05Å
26R93.2Very high87.6Confident162 Ų16282.3 Ų82.361%0.61144%0.437SS*.Hα-helixtrans-68-42.4174.7-69.4-177.5-17490.8-5.8112E22 R23 L24 W29 S30E22-R26 WeakPolarHBondContact O-CG 3.37Å; E22-R26 PolarHBondContact O-N 3.11Å; E22-R26 PolarHBondContact O-NH1 2.99Å; R23-R26 PolarHBondContact O-N 3.27Å; L24-R26 PolarHBondContact O-N 3.35Å; R26-W29 PolarHBondContact O-N 3.41Å; R26-S30 PolarHBondContact O-N 3.02Å
27F92.1Very high87.1Confident26 Ų2681.5 Ų81.511%0.11443%0.433CS..Hα-helixtrans-59.5-48.9177175.9-111000111.5F3 V8 V11 L15 R23 L24 W29 S30 L31F3-F27 HydrophobicContact CD2-CE2 4.41Å; F3-F27 HydrophobicContact CE2-CE2 4.28Å; V8-F27 HydrophobicContact CB-CZ 4.41Å; V8-F27 HydrophobicContact CG1-CE1 3.95Å; V8-F27 HydrophobicContact CG1-CZ 4.06Å; V8-F27 HydrophobicContact CG2-CZ 4.27Å; V11-F27 HydrophobicContact CB-CE1 3.96Å; V11-F27 HydrophobicContact CB-CZ 3.87Å; V11-F27 HydrophobicContact CG1-CD1 3.9Å; V11-F27 HydrophobicContact CG1-CD2 4.22Å; V11-F27 HydrophobicContact CG1-CE1 3.59Å; V11-F27 HydrophobicContact CG1-CE2 3.95Å; V11-F27 HydrophobicContact CG1-CG 4.19Å; V11-F27 HydrophobicContact CG1-CZ 3.61Å; V11-F27 HydrophobicContact CG2-CZ 4.49Å; L15-F27 HydrophobicContact CD1-CB 4.25Å; L15-F27 HydrophobicContact CD1-CD1 4.46Å; L15-F27 HydrophobicContact CD1-CG 4.44Å; R23-F27 WeakPolarHBondContact O-CB 3.41Å; R23-F27 PolarHBondContact O-N 3.29Å; L24-F27 PolarHBondContact O-N 3.48Å; F27-W29 VanDerWaalsContact C-N 3.26Å; F27-W29 PolarHBondContact O-N 3.13Å; F27-S30 PolarHBondContact O-N 3.32Å; F27-S30 PolarHBondContact O-OG 2.89Å; F27-L31 HydrophobicContact CE1-CD2 4.11Å; F27-L31 HydrophobicContact CE2-CD2 4.09Å; F27-L31 HydrophobicContact CZ-CD2 3.79Å; F27-L31 PolarHBondContact O-N 3.41Å
28L91.1Very high86.7Confident16 Ų1675.9 Ų75.98%0.08441%0.407CS..Hα-helixtrans-60.1-34.6177.6-70.4172.5000113L24 L31 V43 A46 K47 V50L24-L28 HydrophobicContact CD1-CD1 4.4Å; L24-L28 HydrophobicContact CD1-CG 4.31Å; L24-L28 HydrophobicContact CG-CD1 4.12Å; L24-L28 HydrophobicContact CG-CG 4.46Å; L24-L28 WeakPolarHBondContact O-CB 3.31Å; L24-L28 VanDerWaalsContact O-CG 3.28Å; L24-L28 WeakPolarHBondContact O-CG 3.31Å; L24-L28 PolarHBondContact O-N 3.06Å; L28-L31 HydrophobicContact CD2-CD1 4.03Å; L28-V43 HydrophobicContact CD2-CG1 3.96Å; L28-A46 HydrophobicContact CD1-CB 4.02Å; L28-A46 HydrophobicContact CD2-CB 4.13Å; L28-K47 HydrophobicContact CD1-CG 3.93Å; L28-K47 HydrophobicContact CD2-CG 4.25Å; L28-V50 HydrophobicContact CD1-CB 4.41Å; L28-V50 HydrophobicContact CD1-CG2 3.91Å
29W89.9Confident86.5Confident232 Ų23280.3 Ų80.388%0.87941%0.412SS*.Hα-helixtrans-71.8-30.5175.7-174.781.3000112.7G25 R26 F27 L31G25-W29 PolarHBondContact O-N 3.05Å; R26-W29 PolarHBondContact O-N 3.41Å; F27-W29 VanDerWaalsContact C-N 3.26Å; F27-W29 PolarHBondContact O-N 3.13Å; W29-L31 VanDerWaalsContact C-N 3.28Å; W29-L31 PolarHBondContact O-N 3.26Å
30S89.7Confident86.6Confident78 Ų7879.3 Ų79.355%0.54539%0.394SS..THydrogen-bonded Turntrans-78.8-717871.40000114.5R26 F27R26-S30 PolarHBondContact O-N 3.02Å; F27-S30 PolarHBondContact O-N 3.32Å; F27-S30 PolarHBondContact O-OG 2.89Å
31L87.2Confident86.6Confident17 Ų1776.8 Ų76.89%0.08938%0.38CS..SBendtrans-68.6140.1-178.8-66.9-178.9000111.1V8 F27 L28 W29 L37 V43V8-L31 HydrophobicContact CG1-CD1 3.77Å; V8-L31 HydrophobicContact CG1-CD2 3.85Å; V8-L31 HydrophobicContact CG1-CG 4.49Å; V8-L31 HydrophobicContact CG2-CD2 3.91Å; F27-L31 HydrophobicContact CE1-CD2 4.11Å; F27-L31 HydrophobicContact CE2-CD2 4.09Å; F27-L31 HydrophobicContact CZ-CD2 3.79Å; F27-L31 PolarHBondContact O-N 3.41Å; L28-L31 HydrophobicContact CD2-CD1 4.03Å; W29-L31 VanDerWaalsContact C-N 3.28Å; W29-L31 PolarHBondContact O-N 3.26Å; L31-L37 HydrophobicContact CB-CD2 4.1Å; L31-L37 HydrophobicContact CD1-CD2 4.21Å; L31-L37 HydrophobicContact CD2-CD2 4.2Å; L31-L37 HydrophobicContact CG-CD2 4.39Å; L31-V43 HydrophobicContact CD1-CG1 4.22Å
32P84.8Confident86.7Confident83 Ų8376 Ų7654%0.53938%0.377SS..  trans-64.3149.7177.527.7-34.3000111C34 L37 H38P32-C34 PolarHBondContact O-N 3.24Å; P32-L37 HydrophobicContact CG-CD2 4.2Å; P32-H38 PolarHBondContact O-CE1 3.29Å
33A74.3Confident86.7Confident104 Ų10471.9 Ų71.986%0.8636%0.358SS*.  trans-71.961.6177.900000112.4
34C76.6Confident86.9Confident61 Ų6164.1 Ų64.141%0.41233%0.329SS..  trans-103.2121.6173.6179.80000109.3P32 H36 L37 H38P32-C34 PolarHBondContact O-N 3.24Å; C34-H36 VanDerWaalsContact C-N 3.26Å; C34-H36 PolarHBondContact O-N 3.38Å; C34-L37 HydrophobicContact CB-CB 4.18Å; C34-L37 PolarHBondContact O-N 3.22Å; C34-H38 PolarHBondContact O-N 2.95Å; C34-H38 PolarHBondContact O-ND1 3.48Å
35D74.8Confident87Confident125 Ų12564.9 Ų64.967%0.66833%0.333SS*.Hα-helixtrans-60.6-35.5-176.8-73.2-21.2000112.9L37 H38 K39D35-L37 VanDerWaalsContact C-N 3.34Å; D35-L37 PolarHBondContact O-N 3.24Å; D35-H38 PolarHBondContact O-N 2.92Å; D35-K39 WeakPolarHBondContact O-CG 3.17Å; D35-K39 PolarHBondContact O-N 2.97Å
36H76.8Confident87.1Confident136 Ų13664.7 Ų64.763%0.6333%0.331SS*.Hα-helixtrans-68.9-34.6-178.5-137.782.8000112.3Q5 C34Q5-H36 PolarHBondContact NE2-O 2.84Å; C34-H36 VanDerWaalsContact C-N 3.26Å; C34-H36 PolarHBondContact O-N 3.38Å
37L80.4Confident87.2Confident14 Ų1460.1 Ų60.17%0.07332%0.315CS..Hα-helixtrans-68.5-39.7176.4-173.363.5000111.3Q5 V8 L31 P32 C34 D35 K39 N40Q5-L37 HydrophobicContact CB-CD1 4.36Å; Q5-L37 HydrophobicContact CG-CD1 4.13Å; V8-L37 HydrophobicContact CB-CD1 3.88Å; V8-L37 HydrophobicContact CG1-CD1 3.91Å; V8-L37 HydrophobicContact CG1-CG 4.5Å; V8-L37 HydrophobicContact CG2-CD1 3.98Å; V8-L37 HydrophobicContact CG2-CD2 4.41Å; L31-L37 HydrophobicContact CB-CD2 4.1Å; L31-L37 HydrophobicContact CD1-CD2 4.21Å; L31-L37 HydrophobicContact CD2-CD2 4.2Å; L31-L37 HydrophobicContact CG-CD2 4.39Å; P32-L37 HydrophobicContact CG-CD2 4.2Å; C34-L37 HydrophobicContact CB-CB 4.18Å; C34-L37 PolarHBondContact O-N 3.22Å; D35-L37 VanDerWaalsContact C-N 3.34Å; D35-L37 PolarHBondContact O-N 3.24Å; L37-K39 VanDerWaalsContact C-N 3.28Å; L37-K39 PolarHBondContact O-N 3.34Å; L37-N40 VanDerWaalsContact O-CB 3.22Å; L37-N40 WeakPolarHBondContact O-CB 3.29Å; L37-N40 PolarHBondContact O-N 3.34Å
38H81.7Confident87.5Confident44 Ų4458.9 Ų58.920%0.20431%0.31CS..Hα-helixtrans-74.6-17.8-178.5-72.8105.3000114.3P32 C34 D35 L44 K47P32-H38 PolarHBondContact O-CE1 3.29Å; C34-H38 PolarHBondContact O-N 2.95Å; C34-H38 PolarHBondContact O-ND1 3.48Å; D35-H38 PolarHBondContact O-N 2.92Å; H38-L44 VanDerWaalsContact O-CD2 3.29Å; H38-L44 WeakPolarHBondContact O-CD2 3.45Å; H38-L44 WeakPolarHBondContact O-CG 3.22Å; H38-K47 PolarHBondContact CD2-NZ 3.49Å
39K83.7Confident87.7Confident142 Ų14258.8 Ų58.862%0.61731%0.31SS*.THydrogen-bonded Turntrans-86.7-7171.3-69.9174.3-178.1-179.70113.2D35 L37 E41D35-K39 WeakPolarHBondContact O-CG 3.17Å; D35-K39 PolarHBondContact O-N 2.97Å; L37-K39 VanDerWaalsContact C-N 3.28Å; L37-K39 PolarHBondContact O-N 3.34Å; K39-E41 PolarHBondContact O-N 3.49Å
40N89.8Confident88Confident31 Ų3148.1 Ų48.117%0.16627%0.27CS..  trans-64.8132.8177-173.8-84000110.7Q5 L37 S42 V43 L44Q5-N40 HydrophobicContact CG-CB 4.22Å; Q5-N40 WeakPolarHBondContact CG-ND2 3.41Å; Q5-N40 PolarHBondContact NE2-ND2 3.43Å; Q5-N40 VanDerWaalsContact NE2-ND2 3.16Å; L37-N40 VanDerWaalsContact O-CB 3.22Å; L37-N40 WeakPolarHBondContact O-CB 3.29Å; L37-N40 PolarHBondContact O-N 3.34Å; N40-S42 PolarHBondContact O-N 3.18Å; N40-S42 WeakPolarHBondContact OD1-CB 3.45Å; N40-S42 PolarHBondContact OD1-N 3.04Å; N40-V43 HydrophobicContact CB-CB 4.25Å; N40-V43 HydrophobicContact CB-CG2 4Å; N40-V43 PolarHBondContact O-N 3.33Å; N40-V43 VanDerWaalsContact O-N 3.16Å; N40-L44 WeakPolarHBondContact O-CG 3.39Å; N40-L44 PolarHBondContact O-N 3.44Å
41E92.1Very high88.3Confident41 Ų4144.8 Ų44.819%0.19225%0.248CC..Hα-helixtrans-61.9-41-174.3-162.7-179.3160.900113K39 V43 L44 K45 F69 S70 N73K39-E41 PolarHBondContact O-N 3.49Å; E41-V43 VanDerWaalsContact C-N 3.31Å; E41-V43 PolarHBondContact O-N 3.25Å; E41-L44 PolarHBondContact O-N 3.35Å; E41-K45 VanDerWaalsContact O-CB 3.32Å; E41-K45 WeakPolarHBondContact O-CB 3.49Å; E41-K45 PolarHBondContact O-N 2.87Å; E41-F69 HydrophobicContact CG-CD1 3.53Å; E41-F69 HydrophobicContact CG-CE1 4.08Å; E41-F69 HydrophobicContact CG-CG 4.48Å; E41-F69 WeakPolarHBondContact OE1-CA 3.5Å; E41-S70 VanDerWaalsContact CD-N 3.34Å; E41-S70 WeakPolarHBondContact OE1-CB 3.41Å; E41-S70 PolarHBondContact OE1-N 3.48Å; E41-S70 VanDerWaalsContact OE2-CB 3.28Å; E41-S70 WeakPolarHBondContact OE2-CB 3.27Å; E41-S70 PolarHBondContact OE2-N 3.27Å; E41-S70 PolarHBondContact OE2-OG 2.88Å; E41-N73 VanDerWaalsContact CD-ND2 3.31Å; E41-N73 PolarHBondContact OE1-ND2 2.9Å
42S92.7Very high88.8Confident21 Ų2146.5 Ų46.515%0.14726%0.255CS..Hα-helixtrans-64-36.5177.3-71.40000112.1E13 N40 A46E13-S42 WeakPolarHBondContact OE1-CB 3.4Å; E13-S42 PolarHBondContact OE1-OG 3.34Å; N40-S42 PolarHBondContact O-N 3.18Å; N40-S42 WeakPolarHBondContact OD1-CB 3.45Å; N40-S42 PolarHBondContact OD1-N 3.04Å; S42-A46 VanDerWaalsContact O-CB 3.28Å; S42-A46 WeakPolarHBondContact O-CB 3.4Å; S42-A46 PolarHBondContact O-N 2.87Å
43V93.4Very high89.3Confident0 Ų047.2 Ų47.20%025%0.251CS..Hα-helixtrans-69.5-45175.91780000110.6V8 L28 L31 N40 E41 A46 K47V8-V43 HydrophobicContact CG1-CG2 3.69Å; L28-V43 HydrophobicContact CD2-CG1 3.96Å; L31-V43 HydrophobicContact CD1-CG1 4.22Å; N40-V43 HydrophobicContact CB-CB 4.25Å; N40-V43 HydrophobicContact CB-CG2 4Å; N40-V43 PolarHBondContact O-N 3.33Å; N40-V43 VanDerWaalsContact O-N 3.16Å; E41-V43 VanDerWaalsContact C-N 3.31Å; E41-V43 PolarHBondContact O-N 3.25Å; V43-A46 PolarHBondContact O-N 2.97Å; V43-K47 HydrophobicContact CG1-CD 4.49Å; V43-K47 WeakPolarHBondContact O-CG 3.23Å; V43-K47 PolarHBondContact O-N 3.29Å
44L94.9Very high90.3Very high10 Ų1049.5 Ų49.55%0.05224%0.237CC..Hα-helixtrans-61.5-44.6176.5-71.5169000111.5H38 N40 E41 K47 A48 I63 H67 F69H38-L44 VanDerWaalsContact O-CD2 3.29Å; H38-L44 WeakPolarHBondContact O-CD2 3.45Å; H38-L44 WeakPolarHBondContact O-CG 3.22Å; N40-L44 WeakPolarHBondContact O-CG 3.39Å; N40-L44 PolarHBondContact O-N 3.44Å; E41-L44 PolarHBondContact O-N 3.35Å; L44-K47 PolarHBondContact O-N 2.65Å; L44-A48 PolarHBondContact O-N 3.42Å; L44-I63 HydrophobicContact CB-CG2 4.41Å; L44-I63 HydrophobicContact CD2-CG2 4.36Å; L44-H67 HydrophobicContact CD1-CB 3.8Å; L44-F69 HydrophobicContact CB-CE1 3.89Å; L44-F69 HydrophobicContact CB-CZ 3.99Å
45K95.1Very high91.2Very high16 Ų1648.5 Ų48.57%0.0724%0.237CC..Hα-helixtrans-59.3-47.2174-179.1176.570.2-177.80111.3E13 E41 K47 A48 V49 N73 L77E13-K45 WeakPolarHBondContact OE1-CE 3.48Å; E13-K45 IonicContact OE1-NZ 3.6Å; E13-K45 PolarHBondContact OE1-NZ 3.47Å; E13-K45 IonicContact OE2-NZ 3.27Å; E13-K45 PolarHBondContact OE2-NZ 3.22Å; E41-K45 VanDerWaalsContact O-CB 3.32Å; E41-K45 WeakPolarHBondContact O-CB 3.49Å; E41-K45 PolarHBondContact O-N 2.87Å; K45-K47 PolarHBondContact O-N 3.49Å; K45-A48 WeakPolarHBondContact O-CB 3.43Å; K45-A48 PolarHBondContact O-N 3.3Å; K45-V49 WeakPolarHBondContact O-CG2 3.28Å; K45-V49 PolarHBondContact O-N 2.95Å; K45-N73 HydrophobicContact CD-CB 4.41Å; K45-N73 WeakPolarHBondContact CD-OD1 3.46Å; K45-N73 PolarHBondContact NZ-OD1 2.91Å; K45-L77 HydrophobicContact CG-CD2 4.01Å
46A95.4Very high92.2Very high0 Ų046.5 Ų46.50%023%0.227CC..Hα-helixtrans-60.2-43.5176.700000112.3C12 L24 L28 S42 V43 A48 V49 V50C12-A46 HydrophobicContact CB-CB 3.96Å; L24-A46 HydrophobicContact CD1-CB 3.98Å; L24-A46 HydrophobicContact CD2-CB 4.04Å; L24-A46 HydrophobicContact CG-CB 4.29Å; L28-A46 HydrophobicContact CD1-CB 4.02Å; L28-A46 HydrophobicContact CD2-CB 4.13Å; S42-A46 VanDerWaalsContact O-CB 3.28Å; S42-A46 WeakPolarHBondContact O-CB 3.4Å; S42-A46 PolarHBondContact O-N 2.87Å; V43-A46 PolarHBondContact O-N 2.97Å; A46-A48 PolarHBondContact O-N 3.45Å; A46-V49 PolarHBondContact O-N 3.29Å; A46-V50 WeakPolarHBondContact O-CG2 3.33Å; A46-V50 PolarHBondContact O-N 3.18Å
47K95.2Very high93.2Very high65 Ų6541.5 Ų41.528%0.28320%0.203SC..Hα-helixtrans-60-44174.5-75.5-177.3173-162.20111.7L28 H38 V43 L44 K45 V50 A51 I63L28-K47 HydrophobicContact CD1-CG 3.93Å; L28-K47 HydrophobicContact CD2-CG 4.25Å; H38-K47 PolarHBondContact CD2-NZ 3.49Å; V43-K47 HydrophobicContact CG1-CD 4.49Å; V43-K47 WeakPolarHBondContact O-CG 3.23Å; V43-K47 PolarHBondContact O-N 3.29Å; L44-K47 PolarHBondContact O-N 2.65Å; K45-K47 PolarHBondContact O-N 3.49Å; K47-V50 PolarHBondContact O-N 3.06Å; K47-A51 VanDerWaalsContact O-CB 3.31Å; K47-A51 WeakPolarHBondContact O-CB 3.46Å; K47-A51 PolarHBondContact O-N 3.43Å; K47-I63 HydrophobicContact CB-CD1 3.78Å
48A96.9Very high94Very high0 Ų051 Ų510%024%0.238CC..Hα-helixtrans-60.1-45.4175.700000111.7L44 K45 A46 V50 A51 F52 L60 I63 L64 L77 L80L44-A48 PolarHBondContact O-N 3.42Å; K45-A48 WeakPolarHBondContact O-CB 3.43Å; K45-A48 PolarHBondContact O-N 3.3Å; A46-A48 PolarHBondContact O-N 3.45Å; A48-V50 PolarHBondContact O-N 3.43Å; A48-A51 PolarHBondContact O-N 3.16Å; A48-F52 PolarHBondContact O-N 3.35Å; A48-L60 HydrophobicContact CB-CD1 3.72Å; A48-L60 WeakPolarHBondContact O-CD1 3.5Å; A48-I63 HydrophobicContact CB-CG2 4.12Å; A48-L64 HydrophobicContact CB-CD2 4.2Å; A48-L77 HydrophobicContact CB-CD2 4.49Å; A48-L80 HydrophobicContact CB-CD1 4.44Å
49V96.3Very high94.7Very high14 Ų1452.3 Ų52.39%0.08524%0.244CC..Hα-helixtrans-61.4-45176.8173.70000111.6L21 K45 A46 F52 H53 L80L21-V49 HydrophobicContact CD1-CG1 4.29Å; L21-V49 HydrophobicContact CD2-CG1 3.57Å; K45-V49 WeakPolarHBondContact O-CG2 3.28Å; K45-V49 PolarHBondContact O-N 2.95Å; A46-V49 PolarHBondContact O-N 3.29Å; V49-F52 PolarHBondContact O-N 3.27Å; V49-H53 PolarHBondContact O-N 2.86Å; V49-L80 HydrophobicContact CG2-CD1 3.85Å
50V96.4Very high95.3Very high8 Ų845.6 Ų45.65%0.04822%0.215CC..Hα-helixtrans-66.2-40.3178171.30000111.5L24 L28 A46 K47 A48 F52 H53 R54L24-V50 HydrophobicContact CB-CG2 4.17Å; L24-V50 HydrophobicContact CD2-CG2 3.8Å; L24-V50 HydrophobicContact CG-CG2 3.8Å; L28-V50 HydrophobicContact CD1-CB 4.41Å; L28-V50 HydrophobicContact CD1-CG2 3.91Å; A46-V50 WeakPolarHBondContact O-CG2 3.33Å; A46-V50 PolarHBondContact O-N 3.18Å; K47-V50 PolarHBondContact O-N 3.06Å; A48-V50 PolarHBondContact O-N 3.43Å; V50-F52 VanDerWaalsContact C-N 3.33Å; V50-F52 PolarHBondContact O-N 3.44Å; V50-H53 PolarHBondContact O-N 3.14Å; V50-R54 HydrophobicContact CG1-CG 4.48Å; V50-R54 WeakPolarHBondContact O-CG 3.24Å; V50-R54 PolarHBondContact O-N 2.98Å
51A96.6Very high95.7Very high8 Ų845.4 Ų45.47%0.06621%0.212CC..Hα-helixtrans-60.5-44175.900000111.3K47 A48 R54 G55 N56 E59 L60K47-A51 VanDerWaalsContact O-CB 3.31Å; K47-A51 WeakPolarHBondContact O-CB 3.46Å; K47-A51 PolarHBondContact O-N 3.43Å; A48-A51 PolarHBondContact O-N 3.16Å; A51-R54 PolarHBondContact O-N 3.05Å; A51-G55 PolarHBondContact O-N 3.42Å; A51-N56 PolarHBondContact O-N 3.11Å; A51-E59 HydrophobicContact CB-CB 4.41Å; A51-E59 HydrophobicContact CB-CG 4.47Å; A51-L60 HydrophobicContact CB-CB 4.16Å
52F96.9Very high95.9Very high54 Ų5449.4 Ų49.424%0.23723%0.229CC..Hα-helixtrans-60.6-47174-179.2-94.5000112.2A48 V49 V50 R54 G55 F57 L60 L80 K83 A84A48-F52 PolarHBondContact O-N 3.35Å; V49-F52 PolarHBondContact O-N 3.27Å; V50-F52 VanDerWaalsContact C-N 3.33Å; V50-F52 PolarHBondContact O-N 3.44Å; F52-R54 VanDerWaalsContact C-N 3.29Å; F52-R54 PolarHBondContact O-N 3.13Å; F52-G55 PolarHBondContact O-N 3.09Å; F52-F57 HydrophobicContact CD2-CD1 4.33Å; F52-F57 AromaticContact CD2-CE1 3.87Å; F52-F57 HydrophobicContact CD2-CE1 3.87Å; F52-F57 HydrophobicContact CE2-CE1 4.03Å; F52-L60 HydrophobicContact CB-CD2 4.14Å; F52-L60 HydrophobicContact CD2-CD2 3.88Å; F52-L80 HydrophobicContact CB-CD2 3.96Å; F52-L80 HydrophobicContact CD1-CD2 3.81Å; F52-L80 HydrophobicContact CD2-CD2 4.1Å; F52-L80 HydrophobicContact CE1-CD2 4.36Å; F52-L80 HydrophobicContact CG-CD2 3.67Å; F52-K83 HydrophobicContact CE2-CB 3.78Å; F52-K83 HydrophobicContact CZ-CB 3.78Å; F52-K83 HydrophobicContact CZ-CD 4.41Å; F52-A84 HydrophobicContact CD2-CB 4.05Å; F52-A84 HydrophobicContact CE2-CB 4.05Å
53H95.3Very high96.1Very high98 Ų9848.8 Ų48.845%0.45422%0.224SC..Hα-helixtrans-59.9-38.7179.4-176.4-103000112.9L21 E22 V49 V50 G55L21-H53 HydrophobicContact CD1-CB 3.89Å; L21-H53 VanDerWaalsContact CD1-CD2 3.46Å; L21-H53 WeakPolarHBondContact CD1-CD2 3.44Å; E22-H53 IonicContact OE1-CE1 3.11Å; E22-H53 PolarHBondContact OE1-CE1 3.43Å; E22-H53 IonicContact OE1-ND1 3.94Å; E22-H53 PolarHBondContact OE1-ND1 3.27Å; V49-H53 PolarHBondContact O-N 2.86Å; V50-H53 PolarHBondContact O-N 3.14Å; H53-G55 PolarHBondContact O-N 3.13Å
54R94.8Very high96.2Very high151 Ų15148.8 Ų48.857%0.5722%0.224SC*.THydrogen-bonded Turntrans-79.5-1.6178.1-67.6177.6175.5174.6-1.3113.6V50 A51 F52 N56V50-R54 HydrophobicContact CG1-CG 4.48Å; V50-R54 WeakPolarHBondContact O-CG 3.24Å; V50-R54 PolarHBondContact O-N 2.98Å; A51-R54 PolarHBondContact O-N 3.05Å; F52-R54 VanDerWaalsContact C-N 3.29Å; F52-R54 PolarHBondContact O-N 3.13Å; R54-N56 PolarHBondContact O-N 3.28Å
55G95.3Very high96.2Very high41 Ų4153.4 Ų53.442%0.42325%0.245SC..THydrogen-bonded Turntrans68.215-174.500000114.1A51 F52 H53 F57A51-G55 PolarHBondContact O-N 3.42Å; F52-G55 PolarHBondContact O-N 3.09Å; H53-G55 PolarHBondContact O-N 3.13Å; G55-F57 VanDerWaalsContact C-N 3.27Å; G55-F57 PolarHBondContact O-N 3.4Å
56N96.7Very high96.2Very high83 Ų8356.1 Ų56.144%0.44427%0.266SS..  trans-85.373.1175.4-171.9-3.4000109.9A51 R54 R58 E59 L60A51-N56 PolarHBondContact O-N 3.11Å; R54-N56 PolarHBondContact O-N 3.28Å; N56-R58 VanDerWaalsContact C-N 3.3Å; N56-R58 PolarHBondContact O-N 3Å; N56-E59 PolarHBondContact O-N 3.16Å; N56-E59 PolarHBondContact OD1-N 2.93Å; N56-L60 PolarHBondContact O-N 2.98Å
57F97.3Very high96.1Very high30 Ų3059.1 Ų59.113%0.13228%0.28CS..Hα-helixtrans-67.2-30-175.6-57.2-48.6000113.2F52 G55 E59 L60 Y61 A84 V87 E88F52-F57 HydrophobicContact CD2-CD1 4.33Å; F52-F57 AromaticContact CD2-CE1 3.87Å; F52-F57 HydrophobicContact CD2-CE1 3.87Å; F52-F57 HydrophobicContact CE2-CE1 4.03Å; G55-F57 VanDerWaalsContact C-N 3.27Å; G55-F57 PolarHBondContact O-N 3.4Å; F57-E59 VanDerWaalsContact C-N 3.34Å; F57-E59 PolarHBondContact O-N 3.43Å; F57-L60 HydrophobicContact CD1-CD2 4.34Å; F57-L60 WeakPolarHBondContact O-CB 3.44Å; F57-L60 PolarHBondContact O-N 3.2Å; F57-Y61 HydrophobicContact CB-CE1 4.41Å; F57-Y61 HydrophobicContact CB-CE2 3.8Å; F57-Y61 WeakPolarHBondContact O-CD2 3.24Å; F57-Y61 PolarHBondContact O-N 2.8Å; F57-A84 HydrophobicContact CD1-CB 3.48Å; F57-A84 VanDerWaalsContact CD1-CB 3.48Å; F57-A84 HydrophobicContact CE1-CB 3.86Å; F57-A84 HydrophobicContact CG-CB 4.08Å; F57-V87 HydrophobicContact CE2-CB 4.36Å; F57-V87 HydrophobicContact CE2-CG1 3.93Å; F57-V87 HydrophobicContact CZ-CB 4.09Å; F57-V87 HydrophobicContact CZ-CG1 3.8Å; F57-E88 HydrophobicContact CD2-CG 3.44Å; F57-E88 VanDerWaalsContact CD2-CG 3.44Å; F57-E88 HydrophobicContact CE2-CG 3.88Å; F57-E88 HydrophobicContact CG-CG 4.29Å
58R97.1Very high96Very high214 Ų21462.2 Ų62.281%0.80830%0.295SS*.Hα-helixtrans-59.3-45.1176.1-174.7178.4-178.9-1750.6112.1N56 K62N56-R58 VanDerWaalsContact C-N 3.3Å; N56-R58 PolarHBondContact O-N 3Å; R58-K62 PolarHBondContact O-N 3.49Å; R58-K62 VanDerWaalsContact O-N 3.14Å
59E96.2Very high95.8Very high72 Ų7262.4 Ų62.434%0.33630%0.297SS..Hα-helixtrans-70.3-37.8177.5-175.760.1-165.300111.6A51 N56 F57 Y61 K62 I63A51-E59 HydrophobicContact CB-CB 4.41Å; A51-E59 HydrophobicContact CB-CG 4.47Å; N56-E59 PolarHBondContact O-N 3.16Å; N56-E59 PolarHBondContact OD1-N 2.93Å; F57-E59 VanDerWaalsContact C-N 3.34Å; F57-E59 PolarHBondContact O-N 3.43Å; E59-Y61 PolarHBondContact O-N 2.92Å; E59-K62 PolarHBondContact O-N 3.25Å; E59-I63 HydrophobicContact CG-CD1 3.99Å; E59-I63 HydrophobicContact CG-CG1 4.5Å; E59-I63 VanDerWaalsContact O-CG1 3.31Å; E59-I63 WeakPolarHBondContact O-CG1 3.42Å; E59-I63 PolarHBondContact O-N 3.45Å
60L97.3Very high95.7Very high0 Ų063.8 Ų63.80%031%0.307CS..Hα-helixtrans-54.8-52.1172.6170.366.7000111.1A48 A51 F52 N56 F57 K62 I63 L64 L80 A84A48-L60 HydrophobicContact CB-CD1 3.72Å; A48-L60 WeakPolarHBondContact O-CD1 3.5Å; A51-L60 HydrophobicContact CB-CB 4.16Å; F52-L60 HydrophobicContact CB-CD2 4.14Å; F52-L60 HydrophobicContact CD2-CD2 3.88Å; N56-L60 PolarHBondContact O-N 2.98Å; F57-L60 HydrophobicContact CD1-CD2 4.34Å; F57-L60 WeakPolarHBondContact O-CB 3.44Å; F57-L60 PolarHBondContact O-N 3.2Å; L60-K62 VanDerWaalsContact C-N 3.34Å; L60-K62 PolarHBondContact O-N 2.95Å; L60-I63 PolarHBondContact O-N 3.17Å; L60-L64 HydrophobicContact CD1-CD1 3.71Å; L60-L64 HydrophobicContact CD1-CG 3.99Å; L60-L64 HydrophobicContact CG-CD1 4.07Å; L60-L64 VanDerWaalsContact O-CG 3.31Å; L60-L64 WeakPolarHBondContact O-CG 3.41Å; L60-L64 PolarHBondContact O-N 3.47Å; L60-L80 HydrophobicContact CD1-CB 4.27Å; L60-L80 HydrophobicContact CD1-CD1 4.46Å; L60-L80 HydrophobicContact CD2-CB 4.45Å; L60-A84 HydrophobicContact CD2-CB 3.58Å
61Y97.5Very high95.5Very high27 Ų2768.2 Ų68.211%0.10634%0.336CS..Hα-helixtrans-60.4-45.9-179.3-54.6-33.2000111.3F57 E59 I63 L64 E65 W81 A84 H85 E88F57-Y61 HydrophobicContact CB-CE1 4.41Å; F57-Y61 HydrophobicContact CB-CE2 3.8Å; F57-Y61 WeakPolarHBondContact O-CD2 3.24Å; F57-Y61 PolarHBondContact O-N 2.8Å; E59-Y61 PolarHBondContact O-N 2.92Å; Y61-I63 VanDerWaalsContact C-N 3.33Å; Y61-I63 PolarHBondContact O-N 3.41Å; Y61-L64 PolarHBondContact O-N 3.41Å; Y61-E65 WeakPolarHBondContact O-CB 3.5Å; Y61-E65 WeakPolarHBondContact O-CG 3.39Å; Y61-E65 PolarHBondContact O-N 2.78Å; Y61-W81 AromaticContact CD1-CE3 3.81Å; Y61-W81 HydrophobicContact CD1-CE3 3.81Å; Y61-W81 HydrophobicContact CD1-CH2 4.39Å; Y61-W81 AromaticContact CD1-CZ3 3.73Å; Y61-W81 HydrophobicContact CD1-CZ3 3.73Å; Y61-W81 HydrophobicContact CE1-CE3 4.44Å; Y61-W81 HydrophobicContact CG-CZ3 4.17Å; Y61-A84 HydrophobicContact CE1-CB 3.76Å; Y61-A84 WeakPolarHBondContact OH-CB 3.27Å; Y61-H85 AromaticContact CE1-CE1 3.86Å; Y61-H85 AromaticContact CE1-NE2 3.73Å; Y61-H85 AromaticContact CE2-CE1 3.75Å; Y61-H85 AromaticContact CZ-CE1 3.45Å; Y61-H85 VanDerWaalsContact CZ-CE1 3.45Å; Y61-H85 AromaticContact CZ-ND1 3.67Å; Y61-H85 AromaticContact CZ-NE2 3.81Å; Y61-H85 PolarHBondContact OH-N 3.27Å; Y61-H85 PolarHBondContact OH-ND1 3.36Å; Y61-E88 WeakPolarHBondContact CE2-OE2 3.37Å; Y61-E88 PolarHBondContact OH-OE2 3.37Å
62K97Very high95.3Very high125 Ų12574.5 Ų74.554%0.54336%0.363SS..Hα-helixtrans-55.2-47.1176.4-175.3-175.6177.1-171.60112.1R58 E59 L60 S66R58-K62 PolarHBondContact O-N 3.49Å; R58-K62 VanDerWaalsContact O-N 3.14Å; E59-K62 PolarHBondContact O-N 3.25Å; L60-K62 VanDerWaalsContact C-N 3.34Å; L60-K62 PolarHBondContact O-N 2.95Å; K62-S66 WeakPolarHBondContact O-CB 3.45Å; K62-S66 PolarHBondContact O-N 3Å; K62-S66 PolarHBondContact O-OG 3.14Å
63I95.8Very high95.1Very high9 Ų972.3 Ų72.35%0.04635%0.354CS..Hα-helixtrans-62-48.1179.3-68.5163.3000110.5L44 K47 A48 E59 L60 Y61 E65 S66 H67 F69L44-I63 HydrophobicContact CB-CG2 4.41Å; L44-I63 HydrophobicContact CD2-CG2 4.36Å; K47-I63 HydrophobicContact CB-CD1 3.78Å; A48-I63 HydrophobicContact CB-CG2 4.12Å; E59-I63 HydrophobicContact CG-CD1 3.99Å; E59-I63 HydrophobicContact CG-CG1 4.5Å; E59-I63 VanDerWaalsContact O-CG1 3.31Å; E59-I63 WeakPolarHBondContact O-CG1 3.42Å; E59-I63 PolarHBondContact O-N 3.45Å; L60-I63 PolarHBondContact O-N 3.17Å; Y61-I63 VanDerWaalsContact C-N 3.33Å; Y61-I63 PolarHBondContact O-N 3.41Å; I63-E65 PolarHBondContact O-N 2.97Å; I63-S66 PolarHBondContact O-N 3.17Å; I63-H67 PolarHBondContact O-ND1 2.91Å; I63-F69 HydrophobicContact CG2-CZ 4.21Å
64L96.4Very high95.1Very high0 Ų068.4 Ų68.40%034%0.336CS..Hα-helixtrans-66.7-35.1-176.5-64.5-175.9000112.4A48 L60 Y61 F69 L77 W81 T114 I115A48-L64 HydrophobicContact CB-CD2 4.2Å; L60-L64 HydrophobicContact CD1-CD1 3.71Å; L60-L64 HydrophobicContact CD1-CG 3.99Å; L60-L64 HydrophobicContact CG-CD1 4.07Å; L60-L64 VanDerWaalsContact O-CG 3.31Å; L60-L64 WeakPolarHBondContact O-CG 3.41Å; L60-L64 PolarHBondContact O-N 3.47Å; Y61-L64 PolarHBondContact O-N 3.41Å; L64-F69 HydrophobicContact CD2-CE2 4.23Å; L64-F69 HydrophobicContact CD2-CZ 4.43Å; L64-L77 HydrophobicContact CD2-CB 3.98Å; L64-L77 HydrophobicContact CD2-CD1 4.15Å; L64-L77 HydrophobicContact CD2-CD2 3.84Å; L64-L77 HydrophobicContact CD2-CG 4.19Å; L64-W81 HydrophobicContact CB-CE3 4.26Å; L64-W81 HydrophobicContact CD1-CB 4.05Å; L64-W81 HydrophobicContact CD1-CE3 3.9Å; L64-T114 WeakPolarHBondContact O-CB 3.46Å; L64-T114 PolarHBondContact O-OG1 3.2Å; L64-I115 HydrophobicContact CD1-CD1 4.25Å; L64-I115 HydrophobicContact CD2-CG2 4.28Å
65E95.7Very high95.1Very high106 Ų10664.8 Ų64.850%0.49533%0.332SS..Hα-helixtrans-83.1-25.1-179.6-68.2173.9150.300113.6Y61 I63 W81 P112 T114Y61-E65 WeakPolarHBondContact O-CB 3.5Å; Y61-E65 WeakPolarHBondContact O-CG 3.39Å; Y61-E65 PolarHBondContact O-N 2.78Å; I63-E65 PolarHBondContact O-N 2.97Å; E65-W81 HydrophobicContact CG-CH2 4.12Å; E65-W81 HydrophobicContact CG-CZ3 3.94Å; E65-W81 WeakPolarHBondContact OE1-CH2 3.37Å; E65-P112 HydrophobicContact CG-CB 4.12Å; E65-P112 HydrophobicContact CG-CG 4.23Å; E65-T114 WeakPolarHBondContact O-CG2 3.29Å
66S94.7Very high95.1Very high74 Ų7468 Ų6852%0.51733%0.334SS..Hα-helixtrans-89.6-16.8-171.4-56.40000114.6K62 I63K62-S66 WeakPolarHBondContact O-CB 3.45Å; K62-S66 PolarHBondContact O-N 3Å; K62-S66 PolarHBondContact O-OG 3.14Å; I63-S66 PolarHBondContact O-N 3.17Å
67H93.3Very high95.1Very high63 Ų6364 Ų6429%0.29231%0.313SS..SBendtrans-132.6136.9-172.5-56.785000111L44 I63 F69 T114L44-H67 HydrophobicContact CD1-CB 3.8Å; I63-H67 PolarHBondContact O-ND1 2.91Å; H67-F69 HydrophobicContact CB-CE2 4.18Å; H67-F69 HydrophobicContact CB-CZ 4.42Å; H67-F69 WeakPolarHBondContact O-CD2 3.28Å; H67-F69 WeakPolarHBondContact O-CE2 3.32Å; H67-T114 WeakPolarHBondContact O-CB 3.47Å; H67-T114 WeakPolarHBondContact O-CG2 3.37Å
68Q92.1Very high95Very high129 Ų12964.8 Ų64.860%0.60332%0.317SS*.  trans-75.8132.2174.2-166.965.550.100109.9R113 T114Q68-R113 PolarHBondContact NE2-O 2.86Å; Q68-T114 PolarHBondContact NE2-O 3.19Å
69F93.9Very high95Very high5 Ų559.5 Ų59.52%0.02230%0.302CS..  trans-107.5151.5175.2-66.8-91.4000110.8E41 L44 I63 L64 H67 H74 L77 T114 I115E41-F69 HydrophobicContact CG-CD1 3.53Å; E41-F69 HydrophobicContact CG-CE1 4.08Å; E41-F69 HydrophobicContact CG-CG 4.48Å; E41-F69 WeakPolarHBondContact OE1-CA 3.5Å; L44-F69 HydrophobicContact CB-CE1 3.89Å; L44-F69 HydrophobicContact CB-CZ 3.99Å; I63-F69 HydrophobicContact CG2-CZ 4.21Å; L64-F69 HydrophobicContact CD2-CE2 4.23Å; L64-F69 HydrophobicContact CD2-CZ 4.43Å; H67-F69 HydrophobicContact CB-CE2 4.18Å; H67-F69 HydrophobicContact CB-CZ 4.42Å; H67-F69 WeakPolarHBondContact O-CD2 3.28Å; H67-F69 WeakPolarHBondContact O-CE2 3.32Å; F69-H74 PolarHBondContact O-NE2 2.83Å; F69-L77 HydrophobicContact CB-CD1 3.77Å; F69-L77 HydrophobicContact CD1-CD1 3.29Å; F69-L77 HydrophobicContact CD2-CD1 3.66Å; F69-L77 HydrophobicContact CE1-CD1 3.7Å; F69-L77 HydrophobicContact CE2-CD1 4.05Å; F69-L77 HydrophobicContact CG-CD1 3.26Å; F69-L77 HydrophobicContact CZ-CD1 4.06Å; F69-T114 PolarHBondContact N-O 2.97Å; F69-I115 HydrophobicContact CB-CG2 4.38Å; F69-I115 HydrophobicContact CD2-CG2 3.58Å; F69-I115 HydrophobicContact CE2-CG2 4.23Å; F69-I115 HydrophobicContact CG-CG2 4.23Å
70S93Very high95.1Very high43 Ų4356.6 Ų56.630%0.30129%0.289SS..  trans-70.1146.9173.1-63.30000111E41 H72 N73 H74E41-S70 VanDerWaalsContact CD-N 3.34Å; E41-S70 WeakPolarHBondContact OE1-CB 3.41Å; E41-S70 PolarHBondContact OE1-N 3.48Å; E41-S70 VanDerWaalsContact OE2-CB 3.28Å; E41-S70 WeakPolarHBondContact OE2-CB 3.27Å; E41-S70 PolarHBondContact OE2-N 3.27Å; E41-S70 PolarHBondContact OE2-OG 2.88Å; S70-H72 WeakPolarHBondContact CB-CE1 3.21Å; S70-H72 VanDerWaalsContact CB-ND1 3.3Å; S70-H72 WeakPolarHBondContact CB-ND1 3.49Å; S70-H72 PolarHBondContact O-N 3.45Å; S70-H72 VanDerWaalsContact O-N 3.08Å; S70-N73 PolarHBondContact O-N 3.48Å; S70-H74 PolarHBondContact O-CD2 2.94Å; S70-H74 PolarHBondContact O-NE2 2.89Å
71P92.8Very high95.1Very high101 Ų10157 Ų5766%0.65629%0.29SS*.G310 helixtrans-53.7-34.5-175.4-29.635.9000115.2N73 H74 P75P71-N73 PolarHBondContact O-N 2.96Å; P71-H74 WeakPolarHBondContact O-CB 3.14Å; P71-H74 PolarHBondContact O-N 3.45Å; P71-H74 VanDerWaalsContact O-N 3.12Å; P71-P75 WeakPolarHBondContact O-CD 3.33Å
72H92.4Very high95.1Very high139 Ų13957.6 Ų57.664%0.64430%0.295SS*.G310 helixtrans-64.1-25.1179.568.3-90.4000113.5S70S70-H72 WeakPolarHBondContact CB-CE1 3.21Å; S70-H72 VanDerWaalsContact CB-ND1 3.3Å; S70-H72 WeakPolarHBondContact CB-ND1 3.49Å; S70-H72 PolarHBondContact O-N 3.45Å; S70-H72 VanDerWaalsContact O-N 3.08Å
73N93.9Very high95.1Very high8 Ų857 Ų574%0.04329%0.292CS..G310 helixtrans-89.4-17.5176.6-72.3-45000112.8E41 K45 S70 P71 K76 L77E41-N73 VanDerWaalsContact CD-ND2 3.31Å; E41-N73 PolarHBondContact OE1-ND2 2.9Å; K45-N73 HydrophobicContact CD-CB 4.41Å; K45-N73 WeakPolarHBondContact CD-OD1 3.46Å; K45-N73 PolarHBondContact NZ-OD1 2.91Å; S70-N73 PolarHBondContact O-N 3.48Å; P71-N73 PolarHBondContact O-N 2.96Å; N73-K76 PolarHBondContact O-N 3Å; N73-L77 HydrophobicContact CB-CD1 4.24Å; N73-L77 WeakPolarHBondContact O-CG 3.13Å; N73-L77 PolarHBondContact O-N 3.19Å
74H94.4Very high95.2Very high16 Ų1656.5 Ų56.57%0.07429%0.29CS..Hα-helixtrans-53-49.2-175.5-68.8-174.3000113.3F69 S70 P71 K76 L77 Q78 I115F69-H74 PolarHBondContact O-NE2 2.83Å; S70-H74 PolarHBondContact O-CD2 2.94Å; S70-H74 PolarHBondContact O-NE2 2.89Å; P71-H74 WeakPolarHBondContact O-CB 3.14Å; P71-H74 PolarHBondContact O-N 3.45Å; P71-H74 VanDerWaalsContact O-N 3.12Å; H74-K76 VanDerWaalsContact C-N 3.26Å; H74-K76 PolarHBondContact O-N 3.45Å; H74-K76 VanDerWaalsContact O-N 3.17Å; H74-L77 PolarHBondContact O-N 3.37Å; H74-L77 VanDerWaalsContact O-N 3.11Å; H74-Q78 WeakPolarHBondContact O-CB 3.42Å; H74-Q78 WeakPolarHBondContact O-CG 3.39Å; H74-Q78 PolarHBondContact O-N 3.14Å; H74-I115 WeakPolarHBondContact CB-O 3.46Å; H74-I115 VanDerWaalsContact CG-O 3.31Å; H74-I115 PolarHBondContact ND1-O 3.27Å
75P95Very high95.3Very high76 Ų7657 Ų5749%0.49429%0.292SS..Hα-helixtrans-57.9-39.4-175.8-25.335.1000112.9P71 Q79P71-P75 WeakPolarHBondContact O-CD 3.33Å; P75-Q79 VanDerWaalsContact O-CG 3.27Å; P75-Q79 WeakPolarHBondContact O-CG 3.25Å; P75-Q79 PolarHBondContact O-N 3.5Å
76K95Very high95.3Very high108 Ų10853.5 Ų53.547%0.4728%0.275SS..Hα-helixtrans-69.5-43.8179.3-174.664.3173.1-1700111.6N73 H74 Q79 L80N73-K76 PolarHBondContact O-N 3Å; H74-K76 VanDerWaalsContact C-N 3.26Å; H74-K76 PolarHBondContact O-N 3.45Å; H74-K76 VanDerWaalsContact O-N 3.17Å; K76-Q79 WeakPolarHBondContact O-CB 3.22Å; K76-Q79 PolarHBondContact O-N 3.44Å; K76-L80 WeakPolarHBondContact O-CG 3.46Å; K76-L80 PolarHBondContact O-N 2.94Å; K76-L80 VanDerWaalsContact O-N 3.16Å
77L96.5Very high95.4Very high0 Ų052.9 Ų52.90%027%0.267CS..Hα-helixtrans-71.5-38.8-177.9-61.2180000112.1K45 A48 L64 F69 N73 H74 Q79 L80 W81 I115K45-L77 HydrophobicContact CG-CD2 4.01Å; A48-L77 HydrophobicContact CB-CD2 4.49Å; L64-L77 HydrophobicContact CD2-CB 3.98Å; L64-L77 HydrophobicContact CD2-CD1 4.15Å; L64-L77 HydrophobicContact CD2-CD2 3.84Å; L64-L77 HydrophobicContact CD2-CG 4.19Å; F69-L77 HydrophobicContact CB-CD1 3.77Å; F69-L77 HydrophobicContact CD1-CD1 3.29Å; F69-L77 HydrophobicContact CD2-CD1 3.66Å; F69-L77 HydrophobicContact CE1-CD1 3.7Å; F69-L77 HydrophobicContact CE2-CD1 4.05Å; F69-L77 HydrophobicContact CG-CD1 3.26Å; F69-L77 HydrophobicContact CZ-CD1 4.06Å; N73-L77 HydrophobicContact CB-CD1 4.24Å; N73-L77 WeakPolarHBondContact O-CG 3.13Å; N73-L77 PolarHBondContact O-N 3.19Å; H74-L77 PolarHBondContact O-N 3.37Å; H74-L77 VanDerWaalsContact O-N 3.11Å; L77-Q79 VanDerWaalsContact C-N 3.3Å; L77-Q79 PolarHBondContact O-N 3.41Å; L77-L80 HydrophobicContact CD2-CD1 4.24Å; L77-L80 WeakPolarHBondContact O-CB 3.38Å; L77-L80 PolarHBondContact O-N 2.53Å; L77-L80 VanDerWaalsContact O-N 3.14Å; L77-W81 PolarHBondContact O-N 3.38Å; L77-I115 HydrophobicContact CB-CB 4.26Å; L77-I115 HydrophobicContact CB-CD1 4.28Å; L77-I115 HydrophobicContact CB-CG2 3.92Å; L77-I115 HydrophobicContact CD1-CG2 3.79Å
78Q96.2Very high95.6Very high46 Ų4653.2 Ų53.222%0.21527%0.269CS..Hα-helixtrans-59.5-41.7172.4-68.3171.63.100111H74 L80 W81 L82 L111 I115H74-Q78 WeakPolarHBondContact O-CB 3.42Å; H74-Q78 WeakPolarHBondContact O-CG 3.39Å; H74-Q78 PolarHBondContact O-N 3.14Å; Q78-L80 PolarHBondContact O-N 3.41Å; Q78-W81 PolarHBondContact O-N 3.02Å; Q78-L82 WeakPolarHBondContact O-CB 3.42Å; Q78-L82 VanDerWaalsContact O-CG 3.26Å; Q78-L82 WeakPolarHBondContact O-CG 3.42Å; Q78-L82 PolarHBondContact O-N 2.87Å; Q78-L111 HydrophobicContact CB-CD1 4.26Å; Q78-L111 HydrophobicContact CB-CD2 3.93Å; Q78-L111 HydrophobicContact CG-CD1 3.79Å; Q78-L111 HydrophobicContact CG-CD2 3.91Å; Q78-L111 HydrophobicContact CG-CG 4.43Å; Q78-I115 HydrophobicContact CG-CD1 4.28Å; Q78-I115 HydrophobicContact CG-CG1 4.24Å; Q78-I115 WeakPolarHBondContact CG-O 3.3Å; Q78-I115 PolarHBondContact NE2-O 2.96Å
79Q96.5Very high95.7Very high102 Ų10248 Ų4848%0.47725%0.247SC..Hα-helixtrans-61.6-41.1174.2-76.9179.1-3.800112.6P75 K76 L77 K83P75-Q79 VanDerWaalsContact O-CG 3.27Å; P75-Q79 WeakPolarHBondContact O-CG 3.25Å; P75-Q79 PolarHBondContact O-N 3.5Å; K76-Q79 WeakPolarHBondContact O-CB 3.22Å; K76-Q79 PolarHBondContact O-N 3.44Å; L77-Q79 VanDerWaalsContact C-N 3.3Å; L77-Q79 PolarHBondContact O-N 3.41Å; Q79-K83 VanDerWaalsContact O-CB 3.25Å; Q79-K83 WeakPolarHBondContact O-CB 3.33Å; Q79-K83 VanDerWaalsContact O-CG 3.23Å; Q79-K83 WeakPolarHBondContact O-CG 3.47Å; Q79-K83 PolarHBondContact O-N 3.37Å
80L97.1Very high95.8Very high12 Ų1250.5 Ų50.56%0.06326%0.26CS..Hα-helixtrans-64-47.4177.1-67.4175.7000111.3A48 V49 F52 L60 K76 L77 Q78 L82 K83 A84A48-L80 HydrophobicContact CB-CD1 4.44Å; V49-L80 HydrophobicContact CG2-CD1 3.85Å; F52-L80 HydrophobicContact CB-CD2 3.96Å; F52-L80 HydrophobicContact CD1-CD2 3.81Å; F52-L80 HydrophobicContact CD2-CD2 4.1Å; F52-L80 HydrophobicContact CE1-CD2 4.36Å; F52-L80 HydrophobicContact CG-CD2 3.67Å; L60-L80 HydrophobicContact CD1-CB 4.27Å; L60-L80 HydrophobicContact CD1-CD1 4.46Å; L60-L80 HydrophobicContact CD2-CB 4.45Å; K76-L80 WeakPolarHBondContact O-CG 3.46Å; K76-L80 PolarHBondContact O-N 2.94Å; K76-L80 VanDerWaalsContact O-N 3.16Å; L77-L80 HydrophobicContact CD2-CD1 4.24Å; L77-L80 WeakPolarHBondContact O-CB 3.38Å; L77-L80 PolarHBondContact O-N 2.53Å; L77-L80 VanDerWaalsContact O-N 3.14Å; Q78-L80 PolarHBondContact O-N 3.41Å; L80-L82 PolarHBondContact O-N 3.16Å; L80-K83 PolarHBondContact O-N 2.89Å; L80-A84 VanDerWaalsContact O-CB 3.24Å; L80-A84 WeakPolarHBondContact O-CB 3.43Å; L80-A84 PolarHBondContact O-N 3.37Å
81W97.6Very high95.9Very high9 Ų957.2 Ų57.23%0.03428%0.283CS..Hα-helixtrans-54.3-53.2176.3178.9-88.1000111.8Y61 L64 E65 L77 Q78 A84 H85 F109 P110 L111 P112 I115Y61-W81 AromaticContact CD1-CE3 3.81Å; Y61-W81 HydrophobicContact CD1-CE3 3.81Å; Y61-W81 HydrophobicContact CD1-CH2 4.39Å; Y61-W81 AromaticContact CD1-CZ3 3.73Å; Y61-W81 HydrophobicContact CD1-CZ3 3.73Å; Y61-W81 HydrophobicContact CE1-CE3 4.44Å; Y61-W81 HydrophobicContact CG-CZ3 4.17Å; L64-W81 HydrophobicContact CB-CE3 4.26Å; L64-W81 HydrophobicContact CD1-CB 4.05Å; L64-W81 HydrophobicContact CD1-CE3 3.9Å; E65-W81 HydrophobicContact CG-CH2 4.12Å; E65-W81 HydrophobicContact CG-CZ3 3.94Å; E65-W81 WeakPolarHBondContact OE1-CH2 3.37Å; L77-W81 PolarHBondContact O-N 3.38Å; Q78-W81 PolarHBondContact O-N 3.02Å; W81-A84 PolarHBondContact O-N 2.95Å; W81-H85 AromaticContact CD1-CD2 3.9Å; W81-H85 AromaticContact CE2-CD2 3.64Å; W81-H85 AromaticContact CE2-NE2 3.47Å; W81-H85 AromaticContact CH2-NE2 3.97Å; W81-H85 AromaticContact CZ2-NE2 3.41Å; W81-H85 WeakPolarHBondContact CZ2-NE2 3.23Å; W81-H85 AromaticContact NE1-CD2 3.51Å; W81-H85 AromaticContact NE1-NE2 3.8Å; W81-H85 PolarHBondContact O-CD2 3.06Å; W81-H85 PolarHBondContact O-N 2.84Å; W81-F109 HydrophobicContact CZ2-CB 4.48Å; W81-F109 PolarHBondContact NE1-O 2.97Å; W81-P110 PolarHBondContact NE1-O 3.39Å; W81-L111 HydrophobicContact CB-CD2 4.27Å; W81-L111 HydrophobicContact CG-CD2 4.07Å; W81-P112 HydrophobicContact CD2-CG 4.43Å; W81-P112 HydrophobicContact CE3-CG 4.06Å; W81-P112 HydrophobicContact CH2-CG 4.22Å; W81-P112 HydrophobicContact CZ3-CG 3.95Å; W81-I115 HydrophobicContact CB-CD1 4.21Å
82L97.3Very high95.9Very high39 Ų3959.9 Ų59.920%0.20429%0.291CS..Hα-helixtrans-64.5-46.4-178.1-69177.4000112Q78 L80 A84 H85 Y86 R106 L111Q78-L82 WeakPolarHBondContact O-CB 3.42Å; Q78-L82 VanDerWaalsContact O-CG 3.26Å; Q78-L82 WeakPolarHBondContact O-CG 3.42Å; Q78-L82 PolarHBondContact O-N 2.87Å; L80-L82 PolarHBondContact O-N 3.16Å; L82-A84 VanDerWaalsContact C-N 3.34Å; L82-A84 PolarHBondContact O-N 3.21Å; L82-H85 PolarHBondContact O-N 3.42Å; L82-Y86 HydrophobicContact CB-CE2 4.09Å; L82-Y86 WeakPolarHBondContact O-CD1 3.26Å; L82-Y86 VanDerWaalsContact O-CD2 3.27Å; L82-Y86 WeakPolarHBondContact O-CD2 3.45Å; L82-Y86 PolarHBondContact O-N 3.3Å; L82-R106 HydrophobicContact CD2-CG 3.64Å; L82-L111 HydrophobicContact CD2-CD2 4.46Å; L82-L111 HydrophobicContact CG-CD2 4.3Å
83K97.3Very high96Very high111 Ų11159.8 Ų59.848%0.48329%0.285SS..Hα-helixtrans-62.8-41.1179.2-76178.1176-178.90111.6F52 Q79 L80 Y86 V87F52-K83 HydrophobicContact CE2-CB 3.78Å; F52-K83 HydrophobicContact CZ-CB 3.78Å; F52-K83 HydrophobicContact CZ-CD 4.41Å; Q79-K83 VanDerWaalsContact O-CB 3.25Å; Q79-K83 WeakPolarHBondContact O-CB 3.33Å; Q79-K83 VanDerWaalsContact O-CG 3.23Å; Q79-K83 WeakPolarHBondContact O-CG 3.47Å; Q79-K83 PolarHBondContact O-N 3.37Å; L80-K83 PolarHBondContact O-N 2.89Å; K83-Y86 PolarHBondContact O-N 3.46Å; K83-V87 WeakPolarHBondContact O-CG2 3.42Å; K83-V87 PolarHBondContact O-N 3.4Å
84A97.7Very high96Very high0 Ų063 Ų630%032%0.319CS..Hα-helixtrans-60.4-50.2179.300000111F52 F57 L60 Y61 L80 W81 L82 Y86 V87 E88F52-A84 HydrophobicContact CD2-CB 4.05Å; F52-A84 HydrophobicContact CE2-CB 4.05Å; F57-A84 HydrophobicContact CD1-CB 3.48Å; F57-A84 VanDerWaalsContact CD1-CB 3.48Å; F57-A84 HydrophobicContact CE1-CB 3.86Å; F57-A84 HydrophobicContact CG-CB 4.08Å; L60-A84 HydrophobicContact CD2-CB 3.58Å; Y61-A84 HydrophobicContact CE1-CB 3.76Å; Y61-A84 WeakPolarHBondContact OH-CB 3.27Å; L80-A84 VanDerWaalsContact O-CB 3.24Å; L80-A84 WeakPolarHBondContact O-CB 3.43Å; L80-A84 PolarHBondContact O-N 3.37Å; W81-A84 PolarHBondContact O-N 2.95Å; L82-A84 VanDerWaalsContact C-N 3.34Å; L82-A84 PolarHBondContact O-N 3.21Å; A84-Y86 VanDerWaalsContact C-N 3.32Å; A84-Y86 PolarHBondContact O-N 3.23Å; A84-V87 PolarHBondContact O-N 3.04Å; A84-E88 PolarHBondContact O-N 3.42Å
85H98.1Very high95.9Very high10 Ų1070.1 Ų70.15%0.04635%0.346CS..Hα-helixtrans-65.4-32176.6-78.4-54.8000113.7Y61 W81 L82 E88 A89 V105 F109Y61-H85 AromaticContact CE1-CE1 3.86Å; Y61-H85 AromaticContact CE1-NE2 3.73Å; Y61-H85 AromaticContact CE2-CE1 3.75Å; Y61-H85 AromaticContact CZ-CE1 3.45Å; Y61-H85 VanDerWaalsContact CZ-CE1 3.45Å; Y61-H85 AromaticContact CZ-ND1 3.67Å; Y61-H85 AromaticContact CZ-NE2 3.81Å; Y61-H85 PolarHBondContact OH-N 3.27Å; Y61-H85 PolarHBondContact OH-ND1 3.36Å; W81-H85 AromaticContact CD1-CD2 3.9Å; W81-H85 AromaticContact CE2-CD2 3.64Å; W81-H85 AromaticContact CE2-NE2 3.47Å; W81-H85 AromaticContact CH2-NE2 3.97Å; W81-H85 AromaticContact CZ2-NE2 3.41Å; W81-H85 WeakPolarHBondContact CZ2-NE2 3.23Å; W81-H85 AromaticContact NE1-CD2 3.51Å; W81-H85 AromaticContact NE1-NE2 3.8Å; W81-H85 PolarHBondContact O-CD2 3.06Å; W81-H85 PolarHBondContact O-N 2.84Å; L82-H85 PolarHBondContact O-N 3.42Å; H85-E88 IonicContact ND1-OE2 3.69Å; H85-A89 VanDerWaalsContact O-CB 3.23Å; H85-A89 WeakPolarHBondContact O-CB 3.4Å; H85-A89 PolarHBondContact O-N 3.03Å; H85-V105 HydrophobicContact CB-CG1 3.57Å; H85-F109 HydrophobicContact CB-CD2 4.39Å; H85-F109 AromaticContact CE1-CD1 3.66Å; H85-F109 AromaticContact CE1-CG 3.61Å; H85-F109 AromaticContact CG-CD2 3.96Å; H85-F109 AromaticContact ND1-CD2 3.75Å; H85-F109 AromaticContact ND1-CG 3.8Å; H85-F109 AromaticContact NE2-CD1 3.98Å; H85-F109 AromaticContact NE2-CG 3.73Å
86Y97.3Very high95.8Very high33 Ų3371.9 Ų71.913%0.12936%0.357CS..Hα-helixtrans-64.4-47.9172-62.6-23.4000111.2L82 K83 A84 E88 A89 E90 L97 K102 V105 R106L82-Y86 HydrophobicContact CB-CE2 4.09Å; L82-Y86 WeakPolarHBondContact O-CD1 3.26Å; L82-Y86 VanDerWaalsContact O-CD2 3.27Å; L82-Y86 WeakPolarHBondContact O-CD2 3.45Å; L82-Y86 PolarHBondContact O-N 3.3Å; K83-Y86 PolarHBondContact O-N 3.46Å; A84-Y86 VanDerWaalsContact C-N 3.32Å; A84-Y86 PolarHBondContact O-N 3.23Å; Y86-E88 VanDerWaalsContact C-N 3.34Å; Y86-E88 PolarHBondContact O-N 3.02Å; Y86-A89 PolarHBondContact O-N 2.98Å; Y86-A89 VanDerWaalsContact O-N 3.16Å; Y86-E90 WeakPolarHBondContact O-CB 3.07Å; Y86-E90 VanDerWaalsContact O-CG 3.28Å; Y86-E90 WeakPolarHBondContact O-CG 3.25Å; Y86-E90 PolarHBondContact O-N 3.41Å; Y86-L97 HydrophobicContact CD1-CD2 4.31Å; Y86-K102 HydrophobicContact CD1-CB 4.37Å; Y86-K102 HydrophobicContact CD1-CG 4.12Å; Y86-K102 HydrophobicContact CD2-CD 4.39Å; Y86-K102 HydrophobicContact CD2-CG 4.42Å; Y86-K102 HydrophobicContact CE1-CB 3.77Å; Y86-K102 HydrophobicContact CE1-CG 3.97Å; Y86-K102 HydrophobicContact CE2-CD 4.17Å; Y86-K102 HydrophobicContact CE2-CG 4.28Å; Y86-K102 HydrophobicContact CG-CG 4.36Å; Y86-V105 HydrophobicContact CD1-CB 3.95Å; Y86-V105 HydrophobicContact CD1-CG1 3.71Å; Y86-V105 HydrophobicContact CD1-CG2 4.36Å; Y86-V105 HydrophobicContact CE1-CB 3.92Å; Y86-V105 HydrophobicContact CE1-CG1 3.85Å; Y86-R106 HydrophobicContact CE1-CG 4.38Å; Y86-R106 WeakPolarHBondContact OH-CD 3.47Å; Y86-R106 WeakPolarHBondContact OH-CG 3.49Å
87V96.4Very high95.8Very high60 Ų6067.4 Ų67.436%0.36434%0.339SS..Hα-helixtrans-59.9-44.5178.9171.50000111.1F57 K83 A84 A89 E90 K91F57-V87 HydrophobicContact CE2-CB 4.36Å; F57-V87 HydrophobicContact CE2-CG1 3.93Å; F57-V87 HydrophobicContact CZ-CB 4.09Å; F57-V87 HydrophobicContact CZ-CG1 3.8Å; K83-V87 WeakPolarHBondContact O-CG2 3.42Å; K83-V87 PolarHBondContact O-N 3.4Å; A84-V87 PolarHBondContact O-N 3.04Å; V87-A89 PolarHBondContact O-N 3.16Å; V87-E90 PolarHBondContact O-N 2.95Å; V87-K91 WeakPolarHBondContact O-CB 3.39Å; V87-K91 PolarHBondContact O-N 3.31Å
88E96.3Very high95.7Very high71 Ų7169.7 Ų69.733%0.33236%0.362SS..Hα-helixtrans-61.9-43.5175.5-70.4-172.1124.500112.1F57 Y61 A84 H85 Y86 K91 L92F57-E88 HydrophobicContact CD2-CG 3.44Å; F57-E88 VanDerWaalsContact CD2-CG 3.44Å; F57-E88 HydrophobicContact CE2-CG 3.88Å; F57-E88 HydrophobicContact CG-CG 4.29Å; Y61-E88 WeakPolarHBondContact CE2-OE2 3.37Å; Y61-E88 PolarHBondContact OH-OE2 3.37Å; A84-E88 PolarHBondContact O-N 3.42Å; H85-E88 IonicContact ND1-OE2 3.69Å; Y86-E88 VanDerWaalsContact C-N 3.34Å; Y86-E88 PolarHBondContact O-N 3.02Å; E88-K91 PolarHBondContact O-N 3.39Å; E88-L92 WeakPolarHBondContact O-CG 3.41Å; E88-L92 PolarHBondContact O-N 2.93Å
89A96.1Very high95.6Very high18 Ų1871.4 Ų71.415%0.14938%0.384CS..Hα-helixtrans-67.7-36.5178.800000112.9H85 Y86 V87 R93 L97 V105H85-A89 VanDerWaalsContact O-CB 3.23Å; H85-A89 WeakPolarHBondContact O-CB 3.4Å; H85-A89 PolarHBondContact O-N 3.03Å; Y86-A89 PolarHBondContact O-N 2.98Å; Y86-A89 VanDerWaalsContact O-N 3.16Å; V87-A89 PolarHBondContact O-N 3.16Å; A89-R93 WeakPolarHBondContact O-CB 3.47Å; A89-R93 WeakPolarHBondContact O-CG 3.36Å; A89-R93 PolarHBondContact O-N 3.47Å; A89-R93 VanDerWaalsContact O-N 3.13Å; A89-L97 HydrophobicContact CB-CD1 4.1Å; A89-L97 HydrophobicContact CB-CD2 3.9Å; A89-V105 HydrophobicContact CB-CG2 3.67Å
90E96Very high95.5Very high59 Ų5970.8 Ų70.828%0.27639%0.387SS..Hα-helixtrans-66.6-44.8175.1-74-179.9154.100110.5Y86 V87 L92 R93 G94 L97Y86-E90 WeakPolarHBondContact O-CB 3.07Å; Y86-E90 VanDerWaalsContact O-CG 3.28Å; Y86-E90 WeakPolarHBondContact O-CG 3.25Å; Y86-E90 PolarHBondContact O-N 3.41Å; V87-E90 PolarHBondContact O-N 2.95Å; E90-L92 VanDerWaalsContact C-N 3.34Å; E90-L92 PolarHBondContact O-N 3.44Å; E90-R93 CarbonylContact O-C 3.45Å; E90-R93 PolarHBondContact O-N 3Å; E90-R93 VanDerWaalsContact O-N 3.14Å; E90-G94 PolarHBondContact O-N 3.04Å; E90-L97 HydrophobicContact CB-CD1 4.32Å; E90-L97 HydrophobicContact CG-CB 3.74Å; E90-L97 HydrophobicContact CG-CD1 3.53Å; E90-L97 HydrophobicContact CG-CG 4.11Å; E90-L97 PolarHBondContact OE1-N 3.05Å
91K94.7Very high95.4Very high183 Ų18371.1 Ų71.180%0.79639%0.393SS*.Hα-helixtrans-60.5-42.7176.8-170.3176.2-176.9179.10112V87 E88 R93 G94V87-K91 WeakPolarHBondContact O-CB 3.39Å; V87-K91 PolarHBondContact O-N 3.31Å; E88-K91 PolarHBondContact O-N 3.39Å; K91-R93 VanDerWaalsContact C-N 3.32Å; K91-R93 PolarHBondContact O-N 3.14Å; K91-G94 PolarHBondContact O-N 3.35Å
92L93Very high95.3Very high157 Ų15774.5 Ų74.582%0.82241%0.408SS*.Hα-helixtrans-67-30.7176.4-74.4171.6000113.3E88 E90E88-L92 WeakPolarHBondContact O-CG 3.41Å; E88-L92 PolarHBondContact O-N 2.93Å; E90-L92 VanDerWaalsContact C-N 3.34Å; E90-L92 PolarHBondContact O-N 3.44Å
93R93.2Very high95.1Very high138 Ų13877.4 Ų77.452%0.52142%0.417SS..Hα-helixtrans-89.2-17.2179.9-74.9-171.5176.5-87.5-2.9113.9A89 E90 K91 R95A89-R93 WeakPolarHBondContact O-CB 3.47Å; A89-R93 WeakPolarHBondContact O-CG 3.36Å; A89-R93 PolarHBondContact O-N 3.47Å; A89-R93 VanDerWaalsContact O-N 3.13Å; E90-R93 CarbonylContact O-C 3.45Å; E90-R93 PolarHBondContact O-N 3Å; E90-R93 VanDerWaalsContact O-N 3.14Å; K91-R93 VanDerWaalsContact C-N 3.32Å; K91-R93 PolarHBondContact O-N 3.14Å; R93-R95 HydrophobicContact CB-CG 4.23Å; R93-R95 PolarHBondContact O-N 3.4Å
94G93.6Very high95Very high74 Ų7479.6 Ų79.676%0.76342%0.422SS*.THydrogen-bonded Turntrans66.614.1-17400000114.3E90 K91E90-G94 PolarHBondContact O-N 3.04Å; K91-G94 PolarHBondContact O-N 3.35Å
95R93.5Very high94.9Very high167 Ų16780.3 Ų80.363%0.6343%0.427SS*.SBendtrans-148.7153.1179.366.6-179.9-177.9-175.2-0.7112R93R93-R95 HydrophobicContact CB-CG 4.23Å; R93-R95 PolarHBondContact O-N 3.4Å
96P92.6Very high94.8Very high113 Ų11385.6 Ų85.673%0.73445%0.446SS*.  trans-57.7145.7177.3-24.834.7000113.2
97L94.7Very high94.5Very high14 Ų1491.6 Ų91.67%0.07347%0.468CS..  trans-84.2116.6-179.1-113.369000110.9Y86 A89 E90 K102 V105Y86-L97 HydrophobicContact CD1-CD2 4.31Å; A89-L97 HydrophobicContact CB-CD1 4.1Å; A89-L97 HydrophobicContact CB-CD2 3.9Å; E90-L97 HydrophobicContact CB-CD1 4.32Å; E90-L97 HydrophobicContact CG-CB 3.74Å; E90-L97 HydrophobicContact CG-CD1 3.53Å; E90-L97 HydrophobicContact CG-CG 4.11Å; E90-L97 PolarHBondContact OE1-N 3.05Å; L97-K102 HydrophobicContact CB-CG 4.07Å; L97-K102 HydrophobicContact CD2-CG 4.29Å; L97-K102 VanDerWaalsContact O-CE 3.32Å; L97-K102 WeakPolarHBondContact O-CE 3.37Å; L97-V105 HydrophobicContact CD2-CG2 3.63Å
98G95.2Very high94.4Very high48 Ų4896.1 Ų96.150%0.49548%0.483SS..  trans-71.3176.1167.200000113.2V100 G101 K102G98-V100 VanDerWaalsContact C-N 3.34Å; G98-V100 PolarHBondContact O-N 3.23Å; G98-G101 WeakPolarHBondContact O-CA 3.43Å; G98-G101 PolarHBondContact O-N 3.3Å; G98-K102 PolarHBondContact O-N 2.96Å
99A94.4Very high94.3Very high82 Ų8296.2 Ų96.268%0.67848%0.483SS*.Hα-helixtrans-53.9-45.2-176.700000113.5G101 K102 Y103A99-G101 VanDerWaalsContact C-N 3.32Å; A99-G101 PolarHBondContact O-N 2.99Å; A99-K102 PolarHBondContact O-N 3.47Å; A99-Y103 PolarHBondContact O-N 3.16Å
100V92.9Very high94.2Very high89 Ų8999.3 Ų99.354%0.53950%0.502SS..Hα-helixtrans-65.7-36.5177.5-179.30000111.5G98 Y103 R104G98-V100 VanDerWaalsContact C-N 3.34Å; G98-V100 PolarHBondContact O-N 3.23Å; V100-Y103 PolarHBondContact O-N 3.24Å; V100-R104 WeakPolarHBondContact O-CG 3.37Å; V100-R104 PolarHBondContact O-N 3.17Å
101G95.8Very high94Very high18 Ų1898.2 Ų98.219%0.18650%0.497CS..Hα-helixtrans-62-49.8175.300000111.4G98 A99 Y103 R104 V105G98-G101 WeakPolarHBondContact O-CA 3.43Å; G98-G101 PolarHBondContact O-N 3.3Å; A99-G101 VanDerWaalsContact C-N 3.32Å; A99-G101 PolarHBondContact O-N 2.99Å; G101-Y103 VanDerWaalsContact C-N 3.32Å; G101-Y103 PolarHBondContact O-N 3.42Å; G101-R104 PolarHBondContact O-N 3.43Å; G101-R104 VanDerWaalsContact O-N 3.16Å; G101-V105 WeakPolarHBondContact O-CG2 3.28Å; G101-V105 PolarHBondContact O-N 3.38Å
102K95.7Very high94Very high81 Ų8190.6 Ų90.635%0.35247%0.466SS..Hα-helixtrans-61.4-39.3176.3-65.6-178.3179.9173.20112.2Y86 L97 G98 A99 V105 R106Y86-K102 HydrophobicContact CD1-CB 4.37Å; Y86-K102 HydrophobicContact CD1-CG 4.12Å; Y86-K102 HydrophobicContact CD2-CD 4.39Å; Y86-K102 HydrophobicContact CD2-CG 4.42Å; Y86-K102 HydrophobicContact CE1-CB 3.77Å; Y86-K102 HydrophobicContact CE1-CG 3.97Å; Y86-K102 HydrophobicContact CE2-CD 4.17Å; Y86-K102 HydrophobicContact CE2-CG 4.28Å; Y86-K102 HydrophobicContact CG-CG 4.36Å; L97-K102 HydrophobicContact CB-CG 4.07Å; L97-K102 HydrophobicContact CD2-CG 4.29Å; L97-K102 VanDerWaalsContact O-CE 3.32Å; L97-K102 WeakPolarHBondContact O-CE 3.37Å; G98-K102 PolarHBondContact O-N 2.96Å; A99-K102 PolarHBondContact O-N 3.47Å; K102-V105 PolarHBondContact O-N 2.91Å; K102-R106 WeakPolarHBondContact O-CG 3.45Å; K102-R106 PolarHBondContact O-N 3.14Å
103Y93.8Very high93.8Very high100 Ų10090.7 Ų90.739%0.39246%0.456SS..Hα-helixtrans-58.8-47.8172.5173.1-97.9000112.3A99 V100 G101 V105 R106 R107A99-Y103 PolarHBondContact O-N 3.16Å; V100-Y103 PolarHBondContact O-N 3.24Å; G101-Y103 VanDerWaalsContact C-N 3.32Å; G101-Y103 PolarHBondContact O-N 3.42Å; Y103-V105 VanDerWaalsContact C-N 3.3Å; Y103-V105 PolarHBondContact O-N 3.36Å; Y103-R106 PolarHBondContact O-N 3.23Å; Y103-R107 HydrophobicContact CE1-CG 4.02Å; Y103-R107 HydrophobicContact CE2-CG 4.11Å; Y103-R107 PolarHBondContact O-N 3.15Å; Y103-R107 WeakPolarHBondContact OH-CD 3.37Å
104R94.9Very high93.8Very high157 Ų15785 Ų8559%0.59244%0.436SS*.Hα-helixtrans-61.2-39.2178.3-71.7174.1-179.1-170.11112.1V100 G101 R107 K108V100-R104 WeakPolarHBondContact O-CG 3.37Å; V100-R104 PolarHBondContact O-N 3.17Å; G101-R104 PolarHBondContact O-N 3.43Å; G101-R104 VanDerWaalsContact O-N 3.16Å; R104-R107 PolarHBondContact O-N 3.44Å; R104-K108 WeakPolarHBondContact O-CB 3.32Å; R104-K108 PolarHBondContact O-N 3.2Å
105V95.6Very high93.7Very high15 Ų1581.5 Ų81.59%0.09140%0.4CS..Hα-helixtrans-63.5-49.4176.2173.10000111.1H85 Y86 A89 L97 G101 K102 Y103 R107 K108 F109H85-V105 HydrophobicContact CB-CG1 3.57Å; Y86-V105 HydrophobicContact CD1-CB 3.95Å; Y86-V105 HydrophobicContact CD1-CG1 3.71Å; Y86-V105 HydrophobicContact CD1-CG2 4.36Å; Y86-V105 HydrophobicContact CE1-CB 3.92Å; Y86-V105 HydrophobicContact CE1-CG1 3.85Å; A89-V105 HydrophobicContact CB-CG2 3.67Å; L97-V105 HydrophobicContact CD2-CG2 3.63Å; G101-V105 WeakPolarHBondContact O-CG2 3.28Å; G101-V105 PolarHBondContact O-N 3.38Å; K102-V105 PolarHBondContact O-N 2.91Å; Y103-V105 VanDerWaalsContact C-N 3.3Å; Y103-V105 PolarHBondContact O-N 3.36Å; V105-R107 PolarHBondContact O-N 2.83Å; V105-K108 PolarHBondContact O-N 3.11Å; V105-F109 HydrophobicContact CG1-CD2 4.15Å; V105-F109 PolarHBondContact O-N 3.24Å
106R94.4Very high93.5Very high120 Ų12076.1 Ų76.145%0.45338%0.38SS..Hα-helixtrans-56.3-36.9176.4-74.9-175.3-71.3-179.30.6113.2L82 Y86 K102 Y103 F109L82-R106 HydrophobicContact CD2-CG 3.64Å; Y86-R106 HydrophobicContact CE1-CG 4.38Å; Y86-R106 WeakPolarHBondContact OH-CD 3.47Å; Y86-R106 WeakPolarHBondContact OH-CG 3.49Å; K102-R106 WeakPolarHBondContact O-CG 3.45Å; K102-R106 PolarHBondContact O-N 3.14Å; Y103-R106 PolarHBondContact O-N 3.23Å; R106-F109 CarbonylContact O-C 3.6Å
107R91.8Very high92.8Very high159 Ų15976.4 Ų76.460%0.638%0.375SS*.Hα-helixtrans-72.3-34.8176.5-76.9-124.860.6161.43.1113.5Y103 R104 V105Y103-R107 HydrophobicContact CE1-CG 4.02Å; Y103-R107 HydrophobicContact CE2-CG 4.11Å; Y103-R107 PolarHBondContact O-N 3.15Å; Y103-R107 WeakPolarHBondContact OH-CD 3.37Å; R104-R107 PolarHBondContact O-N 3.44Å; V105-R107 PolarHBondContact O-N 2.83Å
108K94.4Very high91.7Very high155 Ų15576.4 Ų76.467%0.67438%0.379SS*.Hα-helixtrans-77.2-34.6179.7-172.7174.9178.2-176.80111.9R104 V105R104-K108 WeakPolarHBondContact O-CB 3.32Å; R104-K108 PolarHBondContact O-N 3.2Å; V105-K108 PolarHBondContact O-N 3.11Å
109F94.6Very high90.4Very high73 Ų7381.4 Ų81.432%0.3239%0.389SS..SBendtrans-127.277.4-177.2-54.3-72.7000109.7W81 H85 V105 R106W81-F109 HydrophobicContact CZ2-CB 4.48Å; W81-F109 PolarHBondContact NE1-O 2.97Å; H85-F109 HydrophobicContact CB-CD2 4.39Å; H85-F109 AromaticContact CE1-CD1 3.66Å; H85-F109 AromaticContact CE1-CG 3.61Å; H85-F109 AromaticContact CG-CD2 3.96Å; H85-F109 AromaticContact ND1-CD2 3.75Å; H85-F109 AromaticContact ND1-CG 3.8Å; H85-F109 AromaticContact NE2-CD1 3.98Å; H85-F109 AromaticContact NE2-CG 3.73Å; V105-F109 HydrophobicContact CG1-CD2 4.15Å; V105-F109 PolarHBondContact O-N 3.24Å; R106-F109 CarbonylContact O-C 3.6Å
110P93Very high88.8Confident84 Ų8485 Ų8555%0.54539%0.392SS..PPolyproline II helixtrans-62.3158.4177.928.7-35.1000110.9W81W81-P110 PolarHBondContact NE1-O 3.39Å
111L93.3Very high87.2Confident36 Ų3685 Ų8519%0.18839%0.392CS..PPolyproline II helixtrans-64.7133.1176.3-66.8170.1000110Q78 W81 L82 I115 W116Q78-L111 HydrophobicContact CB-CD1 4.26Å; Q78-L111 HydrophobicContact CB-CD2 3.93Å; Q78-L111 HydrophobicContact CG-CD1 3.79Å; Q78-L111 HydrophobicContact CG-CD2 3.91Å; Q78-L111 HydrophobicContact CG-CG 4.43Å; W81-L111 HydrophobicContact CB-CD2 4.27Å; W81-L111 HydrophobicContact CG-CD2 4.07Å; L82-L111 HydrophobicContact CD2-CD2 4.46Å; L82-L111 HydrophobicContact CG-CD2 4.3Å; L111-I115 HydrophobicContact CD2-CD1 4.34Å; L111-W116 HydrophobicContact CB-CB 3.88Å; L111-W116 HydrophobicContact CB-CD2 4.27Å; L111-W116 HydrophobicContact CB-CE3 4.29Å; L111-W116 HydrophobicContact CB-CG 4.14Å; L111-W116 HydrophobicContact CD1-CB 4.43Å; L111-W116 HydrophobicContact CD1-CG 4.21Å
112P93.3Very high85.7Confident22 Ų2288.4 Ų88.414%0.14341%0.414CS..PPolyproline II helixtrans-70.2148.1176.426.9-30.3000111.1E65 W81 T114 I115 W116E65-P112 HydrophobicContact CG-CB 4.12Å; E65-P112 HydrophobicContact CG-CG 4.23Å; W81-P112 HydrophobicContact CD2-CG 4.43Å; W81-P112 HydrophobicContact CE3-CG 4.06Å; W81-P112 HydrophobicContact CH2-CG 4.22Å; W81-P112 HydrophobicContact CZ3-CG 3.95Å; P112-T114 WeakPolarHBondContact CB-OG1 3.44Å; P112-T114 PolarHBondContact O-N 3Å; P112-I115 HydrophobicContact CG-CD1 3.99Å; P112-I115 HydrophobicContact CG-CG1 3.91Å; P112-I115 PolarHBondContact O-N 2.81Å; P112-W116 PolarHBondContact O-N 2.75Å
113R90.3Very high84.5Confident160 Ų16092.6 Ų92.660%0.60443%0.428SS*.THydrogen-bonded Turntrans-59.7-19.4-177.9-66.6-64.6-147.4-158.610.6113.8Q68 I115 W116 G118Q68-R113 PolarHBondContact NE2-O 2.86Å; R113-I115 VanDerWaalsContact C-N 3.27Å; R113-I115 PolarHBondContact O-N 3.06Å; R113-W116 CarbonylContact C-O 3.48Å; R113-W116 WeakPolarHBondContact CA-O 3.46Å; R113-G118 PolarHBondContact NH1-O 3.47Å
114T92.6Very high83.8Confident18 Ų1891.4 Ų91.411%0.1143%0.434CS..THydrogen-bonded Turntrans-65.8-25.2174.943.10000114.3L64 E65 H67 Q68 F69 P112L64-T114 WeakPolarHBondContact O-CB 3.46Å; L64-T114 PolarHBondContact O-OG1 3.2Å; E65-T114 WeakPolarHBondContact O-CG2 3.29Å; H67-T114 WeakPolarHBondContact O-CB 3.47Å; H67-T114 WeakPolarHBondContact O-CG2 3.37Å; Q68-T114 PolarHBondContact NE2-O 3.19Å; F69-T114 PolarHBondContact N-O 2.97Å; P112-T114 WeakPolarHBondContact CB-OG1 3.44Å; P112-T114 PolarHBondContact O-N 3Å
115I91.4Very high83.3Confident0 Ų086.3 Ų86.30%042%0.416CS..SBendtrans-126.514179.868178.9000112.2L64 F69 H74 L77 Q78 W81 L111 P112 R113L64-I115 HydrophobicContact CD1-CD1 4.25Å; L64-I115 HydrophobicContact CD2-CG2 4.28Å; F69-I115 HydrophobicContact CB-CG2 4.38Å; F69-I115 HydrophobicContact CD2-CG2 3.58Å; F69-I115 HydrophobicContact CE2-CG2 4.23Å; F69-I115 HydrophobicContact CG-CG2 4.23Å; H74-I115 WeakPolarHBondContact CB-O 3.46Å; H74-I115 VanDerWaalsContact CG-O 3.31Å; H74-I115 PolarHBondContact ND1-O 3.27Å; L77-I115 HydrophobicContact CB-CB 4.26Å; L77-I115 HydrophobicContact CB-CD1 4.28Å; L77-I115 HydrophobicContact CB-CG2 3.92Å; L77-I115 HydrophobicContact CD1-CG2 3.79Å; Q78-I115 HydrophobicContact CG-CD1 4.28Å; Q78-I115 HydrophobicContact CG-CG1 4.24Å; Q78-I115 WeakPolarHBondContact CG-O 3.3Å; Q78-I115 PolarHBondContact NE2-O 2.96Å; W81-I115 HydrophobicContact CB-CD1 4.21Å; L111-I115 HydrophobicContact CD2-CD1 4.34Å; P112-I115 HydrophobicContact CG-CD1 3.99Å; P112-I115 HydrophobicContact CG-CG1 3.91Å; P112-I115 PolarHBondContact O-N 2.81Å; R113-I115 VanDerWaalsContact C-N 3.27Å; R113-I115 PolarHBondContact O-N 3.06Å
116W89.4Confident82.9Confident55 Ų5593.9 Ų93.921%0.20845%0.448CS..  trans-152.1123.9-178.2-175.546.4000110.2L111 P112 R113 G118 E119 E120L111-W116 HydrophobicContact CB-CB 3.88Å; L111-W116 HydrophobicContact CB-CD2 4.27Å; L111-W116 HydrophobicContact CB-CE3 4.29Å; L111-W116 HydrophobicContact CB-CG 4.14Å; L111-W116 HydrophobicContact CD1-CB 4.43Å; L111-W116 HydrophobicContact CD1-CG 4.21Å; P112-W116 PolarHBondContact O-N 2.75Å; R113-W116 CarbonylContact C-O 3.48Å; R113-W116 WeakPolarHBondContact CA-O 3.46Å; W116-G118 PolarHBondContact O-N 3.04Å; W116-E119 VanDerWaalsContact CZ2-C 3.48Å; W116-E119 VanDerWaalsContact CZ2-O 3.22Å; W116-E119 WeakPolarHBondContact CZ2-O 3.37Å; W116-E120 HydrophobicContact CH2-CB 4.23Å
117D78.6Confident82.7Confident118 Ų11893.4 Ų93.463%0.63145%0.451SS*.  trans-61.1-18.8176.653.74.8000113.9
118G70.2Confident82.7Confident15 Ų1594.3 Ų94.316%0.15546%0.459CS..  trans92.915.216900000115.7R113 W116 E120R113-G118 PolarHBondContact NH1-O 3.47Å; W116-G118 PolarHBondContact O-N 3.04Å; G118-E120 VanDerWaalsContact C-N 3.28Å; G118-E120 PolarHBondContact O-N 3.41Å
119E67.5Low82.6Confident153 Ų15387.6 Ų87.672%0.71543%0.431SS*.  trans-6586.9171.4-69.8-149.815600110.9W116 T121W116-E119 VanDerWaalsContact CZ2-C 3.48Å; W116-E119 VanDerWaalsContact CZ2-O 3.22Å; W116-E119 WeakPolarHBondContact CZ2-O 3.37Å; E119-T121 PolarHBondContact O-N 3.04Å; E119-T121 VanDerWaalsContact O-N 3.11Å
120E61.1Low82.6Confident156 Ų15688.2 Ų88.273%0.72943%0.431SS*.  trans-67.5112.4179.9-167.4172.4-163.900110.1W116 G118 S122W116-E120 HydrophobicContact CH2-CB 4.23Å; G118-E120 VanDerWaalsContact C-N 3.28Å; G118-E120 PolarHBondContact O-N 3.41Å; E120-S122 PolarHBondContact O-N 2.98Å
121T59.4Low82.6Confident89 Ų8985.3 Ų85.355%0.54642%0.417SS..  trans-68.3100.1166.7-510000107.9E119 Y123E119-T121 PolarHBondContact O-N 3.04Å; E119-T121 VanDerWaalsContact O-N 3.11Å; T121-Y123 HydrophobicContact CG2-CD1 4.38Å; T121-Y123 HydrophobicContact CG2-CE1 3.94Å; T121-Y123 WeakPolarHBondContact O-CD2 3.38Å; T121-Y123 VanDerWaalsContact O-CE2 3.26Å; T121-Y123 WeakPolarHBondContact O-CE2 3.37Å; T121-Y123 PolarHBondContact O-N 3.49Å
122S65.5Low82.7Confident91 Ų9185.8 Ų85.864%0.63642%0.422SS*.  trans-65.3106174-177.30000109.6E120 C124E120-S122 PolarHBondContact O-N 2.98Å; S122-C124 PolarHBondContact O-N 2.79Å; S122-C124 PolarHBondContact OG-O 3.09Å
123Y69.3Low82.9Confident168 Ų16884.8 Ų84.866%0.65942%0.415SS*.  trans-77.8-4.1175.7-60.1-75000113T121T121-Y123 HydrophobicContact CG2-CD1 4.38Å; T121-Y123 HydrophobicContact CG2-CE1 3.94Å; T121-Y123 WeakPolarHBondContact O-CD2 3.38Å; T121-Y123 VanDerWaalsContact O-CE2 3.26Å; T121-Y123 WeakPolarHBondContact O-CE2 3.37Å; T121-Y123 PolarHBondContact O-N 3.49Å
124C79.1Confident83.2Confident75 Ų7583 Ų8351%0.50741%0.408SS..SBendtrans-90.2139.6174.4-67.60000109.7S122S122-C124 PolarHBondContact O-N 2.79Å; S122-C124 PolarHBondContact OG-O 3.09Å
125F85.2Confident83.3Confident51 Ų5188.3 Ų88.322%0.22443%0.432CS..PPolyproline II helixtrans-57.8152.7169.2-52.8-38.2000110.6R130 L133 L157 Q161 W165F125-R130 HydrophobicContact CB-CG 4Å; F125-R130 WeakPolarHBondContact O-CD 3.46Å; F125-R130 WeakPolarHBondContact O-CG 3.39Å; F125-L133 HydrophobicContact CD2-CD1 3.99Å; F125-L133 HydrophobicContact CE2-CD1 4.27Å; F125-L157 HydrophobicContact CB-CD1 4.44Å; F125-L157 HydrophobicContact CB-CD2 4.42Å; F125-L157 HydrophobicContact CD1-CD1 4.1Å; F125-L157 HydrophobicContact CD1-CD2 3.53Å; F125-L157 HydrophobicContact CD1-CG 4.49Å; F125-L157 HydrophobicContact CD2-CD1 3.53Å; F125-L157 HydrophobicContact CD2-CD2 4.47Å; F125-L157 HydrophobicContact CE1-CD1 4.22Å; F125-L157 HydrophobicContact CE1-CD2 3.83Å; F125-L157 HydrophobicContact CE2-CD1 3.66Å; F125-L157 HydrophobicContact CG-CD1 3.77Å; F125-L157 HydrophobicContact CG-CD2 3.91Å; F125-L157 HydrophobicContact CZ-CD1 4.02Å; F125-L157 HydrophobicContact CZ-CD2 4.42Å; F125-Q161 HydrophobicContact CE1-CB 4.22Å; F125-Q161 HydrophobicContact CE1-CG 4.19Å; F125-Q161 HydrophobicContact CZ-CB 3.79Å; F125-Q161 HydrophobicContact CZ-CG 4.14Å; F125-W165 AromaticContact CD2-CD1 3.92Å; F125-W165 HydrophobicContact CE2-CB 4.12Å; F125-W165 AromaticContact CE2-CD1 3.66Å; F125-W165 HydrophobicContact CE2-CG 4.19Å
126K87.5Confident83.6Confident173 Ų17390.9 Ų90.975%0.75244%0.441SS*.PPolyproline II helixtrans-54.6148.8174.6-67.4-178177179.30110.4K128 S129 R130K126-K128 PolarHBondContact O-N 3.42Å; K126-S129 WeakPolarHBondContact O-CB 3.27Å; K126-S129 PolarHBondContact O-N 2.72Å; K126-R130 WeakPolarHBondContact O-CG 3.35Å; K126-R130 PolarHBondContact O-N 2.63Å
127E89.3Confident83.9Confident110 Ų11090 Ų9051%0.51444%0.438SS..Hα-helixtrans-59-36.7-174.9-170.252.9-142.300112.4S129 R130 G131 R134E127-S129 PolarHBondContact O-N 2.7Å; E127-R130 WeakPolarHBondContact O-CB 3.14Å; E127-R130 PolarHBondContact O-N 3.18Å; E127-R130 IonicContact OE2-NE 3.78Å; E127-R130 PolarHBondContact OE2-NE 3.32Å; E127-G131 PolarHBondContact O-N 3.09Å; E127-R134 IonicContact OE1-CZ 2.81Å; E127-R134 IonicContact OE1-NH2 2.75Å; E127-R134 PolarHBondContact OE1-NH2 2.96Å
128K91.6Very high84.7Confident179 Ų17988.5 Ų88.578%0.77844%0.442SS*.Hα-helixtrans-54.9-52.1172.3-174.4177.3179.7179.60112.2K126 R130 G131 V132K126-K128 PolarHBondContact O-N 3.42Å; K128-R130 VanDerWaalsContact C-N 3.31Å; K128-R130 PolarHBondContact O-N 3.3Å; K128-G131 PolarHBondContact O-N 3.45Å; K128-V132 PolarHBondContact O-N 2.97Å
129S93.2Very high85.8Confident13 Ų1395.2 Ų95.29%0.09147%0.47CS..Hα-helixtrans-62.5-38.5178.2-50.80000111.5K126 E127 L133 T155K126-S129 WeakPolarHBondContact O-CB 3.27Å; K126-S129 PolarHBondContact O-N 2.72Å; E127-S129 PolarHBondContact O-N 2.7Å; S129-L133 VanDerWaalsContact O-CG 3.3Å; S129-L133 WeakPolarHBondContact O-CG 3.22Å; S129-L133 PolarHBondContact O-N 3.27Å; S129-T155 PolarHBondContact OG-O 3.26Å
130R93Very high87.1Confident86 Ų8690.5 Ų90.533%0.32545%0.449SS..Hα-helixtrans-65.7-38.5176.3-67168.454.3931112.3F125 K126 E127 K128 R134F125-R130 HydrophobicContact CB-CG 4Å; F125-R130 WeakPolarHBondContact O-CD 3.46Å; F125-R130 WeakPolarHBondContact O-CG 3.39Å; K126-R130 WeakPolarHBondContact O-CG 3.35Å; K126-R130 PolarHBondContact O-N 2.63Å; E127-R130 WeakPolarHBondContact O-CB 3.14Å; E127-R130 PolarHBondContact O-N 3.18Å; E127-R130 IonicContact OE2-NE 3.78Å; E127-R130 PolarHBondContact OE2-NE 3.32Å; K128-R130 VanDerWaalsContact C-N 3.31Å; K128-R130 PolarHBondContact O-N 3.3Å; R130-R134 WeakPolarHBondContact O-CB 3.37Å; R130-R134 VanDerWaalsContact O-CG 3.3Å; R130-R134 WeakPolarHBondContact O-CG 3.25Å; R130-R134 PolarHBondContact O-N 3.36Å
131G94.5Very high88.7Confident24 Ų2485.2 Ų85.225%0.24743%0.428CS..Hα-helixtrans-58.2-54.4176.600000111.3E127 K128 L133 R134 E135E127-G131 PolarHBondContact O-N 3.09Å; K128-G131 PolarHBondContact O-N 3.45Å; G131-L133 VanDerWaalsContact C-N 3.34Å; G131-L133 PolarHBondContact O-N 2.99Å; G131-R134 PolarHBondContact O-N 2.97Å; G131-R134 VanDerWaalsContact O-N 3.12Å; G131-E135 PolarHBondContact O-N 3.41Å
132V95.6Very high90.5Very high46 Ų4688.1 Ų88.128%0.27943%0.43SS..Hα-helixtrans-56.4-46.3178.6176.60000111.6K128 R134 E135 W136 L151 T155K128-V132 PolarHBondContact O-N 2.97Å; V132-R134 PolarHBondContact O-N 3.06Å; V132-E135 PolarHBondContact O-N 2.94Å; V132-W136 WeakPolarHBondContact O-CB 3.3Å; V132-W136 PolarHBondContact O-N 3.03Å; V132-L151 HydrophobicContact CG1-CD2 4.08Å; V132-T155 HydrophobicContact CB-CG2 3.88Å; V132-T155 HydrophobicContact CG1-CG2 3.8Å
133L96.4Very high92Very high0 Ų084.3 Ų84.30%040%0.403CS..Hα-helixtrans-64.4-38.5179-67.7170.4000112.6F125 S129 G131 Y137 T155 L157 V162 W165 F166F125-L133 HydrophobicContact CD2-CD1 3.99Å; F125-L133 HydrophobicContact CE2-CD1 4.27Å; S129-L133 VanDerWaalsContact O-CG 3.3Å; S129-L133 WeakPolarHBondContact O-CG 3.22Å; S129-L133 PolarHBondContact O-N 3.27Å; G131-L133 VanDerWaalsContact C-N 3.34Å; G131-L133 PolarHBondContact O-N 2.99Å; L133-Y137 VanDerWaalsContact O-CB 3.24Å; L133-Y137 WeakPolarHBondContact O-CB 3.42Å; L133-Y137 PolarHBondContact O-N 2.81Å; L133-T155 HydrophobicContact CD2-CG2 4.35Å; L133-T155 HydrophobicContact CG-CG2 4.18Å; L133-L157 HydrophobicContact CD1-CD1 3.88Å; L133-V162 HydrophobicContact CD2-CG1 4.11Å; L133-V162 HydrophobicContact CD2-CG2 4.43Å; L133-W165 HydrophobicContact CB-CD2 3.97Å; L133-W165 HydrophobicContact CB-CE3 3.95Å; L133-W165 HydrophobicContact CB-CH2 3.76Å; L133-W165 HydrophobicContact CB-CZ2 3.75Å; L133-W165 HydrophobicContact CB-CZ3 3.86Å; L133-W165 HydrophobicContact CD1-CB 4.41Å; L133-W165 HydrophobicContact CD1-CD2 3.86Å; L133-W165 HydrophobicContact CD1-CE3 4.43Å; L133-W165 HydrophobicContact CD1-CG 3.81Å; L133-W165 HydrophobicContact CD2-CE3 4.42Å; L133-W165 HydrophobicContact CG-CD2 4.38Å; L133-W165 VanDerWaalsContact O-CH2 3.32Å; L133-W165 WeakPolarHBondContact O-CH2 3.39Å; L133-W165 WeakPolarHBondContact O-CZ3 3.26Å; L133-F166 HydrophobicContact CD2-CE2 3.74Å
134R96Very high93.3Very high123 Ų12378.5 Ų78.546%0.46439%0.387SS..Hα-helixtrans-67.8-45.1177.9-77.6-172-69.7140.5-10.4112E127 R130 G131 V132 Y137 A138 W165E127-R134 IonicContact OE1-CZ 2.81Å; E127-R134 IonicContact OE1-NH2 2.75Å; E127-R134 PolarHBondContact OE1-NH2 2.96Å; R130-R134 WeakPolarHBondContact O-CB 3.37Å; R130-R134 VanDerWaalsContact O-CG 3.3Å; R130-R134 WeakPolarHBondContact O-CG 3.25Å; R130-R134 PolarHBondContact O-N 3.36Å; G131-R134 PolarHBondContact O-N 2.97Å; G131-R134 VanDerWaalsContact O-N 3.12Å; V132-R134 PolarHBondContact O-N 3.06Å; R134-Y137 PolarHBondContact O-N 3.17Å; R134-A138 PolarHBondContact O-N 2.96Å; R134-A138 VanDerWaalsContact O-N 3.17Å; R134-W165 HydrophobicContact CG-CH2 4.32Å; R134-W165 HydrophobicContact CG-CZ2 4.06Å
135E96.4Very high94.1Very high129 Ų12979.8 Ų79.860%0.60340%0.395SS*.Hα-helixtrans-61.4-46.7177.8-178.5175.9-167.600110.9G131 V132 Y137 A138 H139G131-E135 PolarHBondContact O-N 3.41Å; V132-E135 PolarHBondContact O-N 2.94Å; E135-Y137 PolarHBondContact O-N 3.12Å; E135-A138 PolarHBondContact O-N 3.08Å; E135-H139 PolarHBondContact O-ND1 3.15Å
136W95.9Very high94.7Very high55 Ų5585.1 Ų85.121%0.20841%0.413CS..Hα-helixtrans-62.3-44.6177-157.6101.1000111.6V132 A138 H139 N140 P143 E147 L151 F166V132-W136 WeakPolarHBondContact O-CB 3.3Å; V132-W136 PolarHBondContact O-N 3.03Å; W136-A138 VanDerWaalsContact C-N 3.26Å; W136-A138 PolarHBondContact O-N 3.25Å; W136-H139 PolarHBondContact O-N 3.48Å; W136-N140 HydrophobicContact CE3-CB 4.04Å; W136-N140 HydrophobicContact CH2-CB 3.38Å; W136-N140 WeakPolarHBondContact CH2-ND2 3.29Å; W136-N140 HydrophobicContact CZ2-CB 4.11Å; W136-N140 VanDerWaalsContact CZ3-C 3.48Å; W136-N140 HydrophobicContact CZ3-CB 3.38Å; W136-N140 WeakPolarHBondContact CZ3-O 3.26Å; W136-N140 PolarHBondContact O-N 3.09Å; W136-P143 HydrophobicContact CE3-CB 4.33Å; W136-P143 HydrophobicContact CH2-CB 3.36Å; W136-P143 HydrophobicContact CH2-CG 4.25Å; W136-P143 HydrophobicContact CZ2-CB 4Å; W136-P143 HydrophobicContact CZ3-CB 3.52Å; W136-P143 HydrophobicContact CZ3-CG 3.9Å; W136-E147 HydrophobicContact CZ2-CB 4.03Å; W136-E147 HydrophobicContact CZ2-CG 4.16Å; W136-L151 HydrophobicContact CB-CD2 4.05Å; W136-L151 HydrophobicContact CD2-CD1 3.96Å; W136-L151 HydrophobicContact CE3-CD1 4.41Å; W136-L151 HydrophobicContact CG-CD1 4.04Å; W136-L151 HydrophobicContact CG-CD2 3.85Å; W136-L151 HydrophobicContact CG-CG 4.4Å; W136-F166 HydrophobicContact CB-CZ 4.43Å; W136-F166 HydrophobicContact CD2-CZ 4.18Å; W136-F166 AromaticContact CE3-CE1 3.5Å; W136-F166 HydrophobicContact CE3-CE1 3.5Å; W136-F166 AromaticContact CE3-CZ 3.51Å; W136-F166 HydrophobicContact CE3-CZ 3.51Å; W136-F166 AromaticContact CZ3-CE1 3.87Å; W136-F166 HydrophobicContact CZ3-CE1 3.87Å; W136-F166 HydrophobicContact CZ3-CZ 4.17Å
137Y96.5Very high95.1Very high35 Ų3579.6 Ų79.614%0.13739%0.39CS..Hα-helixtrans-58.2-36179.9-173.3-93.2000113.6L133 R134 E135 H139 N140 P141 W165 F166 R169 R170 D173L133-Y137 VanDerWaalsContact O-CB 3.24Å; L133-Y137 WeakPolarHBondContact O-CB 3.42Å; L133-Y137 PolarHBondContact O-N 2.81Å; R134-Y137 PolarHBondContact O-N 3.17Å; E135-Y137 PolarHBondContact O-N 3.12Å; Y137-H139 VanDerWaalsContact C-N 3.26Å; Y137-H139 PolarHBondContact O-N 3.23Å; Y137-N140 WeakPolarHBondContact CA-O 3.44Å; Y137-N140 CarbonylContact O-C 3.48Å; Y137-P141 HydrophobicContact CD2-CB 4.08Å; Y137-P141 HydrophobicContact CE1-CB 4.48Å; Y137-P141 HydrophobicContact CE2-CB 3.54Å; Y137-W165 HydrophobicContact CD2-CZ3 4.01Å; Y137-W165 HydrophobicContact CG-CH2 4.34Å; Y137-W165 HydrophobicContact CG-CZ3 4.18Å; Y137-F166 AromaticContact CD2-CD1 3.64Å; Y137-F166 HydrophobicContact CD2-CD1 3.64Å; Y137-F166 AromaticContact CD2-CE1 3.73Å; Y137-F166 HydrophobicContact CD2-CE1 3.73Å; Y137-F166 HydrophobicContact CE2-CD1 4.27Å; Y137-F166 HydrophobicContact CG-CE1 4.44Å; Y137-R169 HydrophobicContact CD1-CG 3.98Å; Y137-R169 HydrophobicContact CD2-CB 4.34Å; Y137-R169 HydrophobicContact CD2-CG 3.86Å; Y137-R169 HydrophobicContact CE1-CG 3.72Å; Y137-R169 HydrophobicContact CE2-CB 4.02Å; Y137-R169 HydrophobicContact CE2-CG 3.62Å; Y137-R169 HydrophobicContact CG-CG 4.05Å; Y137-R170 HydrophobicContact CE2-CG 3.79Å; Y137-R170 WeakPolarHBondContact OH-CG 3.16Å; Y137-D173 VanDerWaalsContact CE1-OD2 3.26Å; Y137-D173 WeakPolarHBondContact CE1-OD2 3.36Å; Y137-D173 PolarHBondContact OH-OD2 3Å; Y137-D173 VanDerWaalsContact OH-OD2 3.09Å
138A95Very high95.5Very high87 Ų8777.1 Ų77.172%0.71938%0.378SS*.Hα-helixtrans-65-31.2177.500000112.4R134 E135 W136R134-A138 PolarHBondContact O-N 2.96Å; R134-A138 VanDerWaalsContact O-N 3.17Å; E135-A138 PolarHBondContact O-N 3.08Å; W136-A138 VanDerWaalsContact C-N 3.26Å; W136-A138 PolarHBondContact O-N 3.25Å
139H94.1Very high95.8Very high157 Ų15774.9 Ų74.973%0.72736%0.364SS*.Hα-helixtrans-84.4-44.7177.3-66.388.7000111.9E135 W136 Y137E135-H139 PolarHBondContact O-ND1 3.15Å; W136-H139 PolarHBondContact O-N 3.48Å; Y137-H139 VanDerWaalsContact C-N 3.26Å; Y137-H139 PolarHBondContact O-N 3.23Å
140N93.8Very high95.9Very high53 Ų5378.4 Ų78.428%0.28338%0.379SS..  trans-144.5123.3-179.9-179.3-3000109.7W136 Y137 Y142W136-N140 HydrophobicContact CE3-CB 4.04Å; W136-N140 HydrophobicContact CH2-CB 3.38Å; W136-N140 WeakPolarHBondContact CH2-ND2 3.29Å; W136-N140 HydrophobicContact CZ2-CB 4.11Å; W136-N140 VanDerWaalsContact CZ3-C 3.48Å; W136-N140 HydrophobicContact CZ3-CB 3.38Å; W136-N140 WeakPolarHBondContact CZ3-O 3.26Å; W136-N140 PolarHBondContact O-N 3.09Å; Y137-N140 WeakPolarHBondContact CA-O 3.44Å; Y137-N140 CarbonylContact O-C 3.48Å; N140-Y142 PolarHBondContact OD1-N 3.03Å; N140-Y142 PolarHBondContact OD1-O 3.08Å
141P95.5Very high96.1Very high45 Ų4574.6 Ų74.629%0.29237%0.365SS..SBendtrans-87.8-4.7177.626.4-26.4000114.1Y137 R170Y137-P141 HydrophobicContact CD2-CB 4.08Å; Y137-P141 HydrophobicContact CE1-CB 4.48Å; Y137-P141 HydrophobicContact CE2-CB 3.54Å; P141-R170 HydrophobicContact CB-CG 4.49Å; P141-R170 PolarHBondContact O-NH1 3.05Å
142Y97.2Very high96.2Very high151 Ų15173.9 Ų73.959%0.59236%0.357SS*.SBendtrans-13076.8-175.1-63.1-86.3000112.1N140 R170N140-Y142 PolarHBondContact OD1-N 3.03Å; N140-Y142 PolarHBondContact OD1-O 3.08Å; Y142-R170 VanDerWaalsContact CE1-CZ 3.47Å; Y142-R170 WeakPolarHBondContact OH-CD 3.14Å
143P96Very high96.3Very high11 Ų1179 Ų797%0.07138%0.378CS..  trans-67.7137.9176.926.7-31.5000112.2W136 E147 K148 L151 F166W136-P143 HydrophobicContact CE3-CB 4.33Å; W136-P143 HydrophobicContact CH2-CB 3.36Å; W136-P143 HydrophobicContact CH2-CG 4.25Å; W136-P143 HydrophobicContact CZ2-CB 4Å; W136-P143 HydrophobicContact CZ3-CB 3.52Å; W136-P143 HydrophobicContact CZ3-CG 3.9Å; P143-E147 HydrophobicContact CB-CB 4.01Å; P143-K148 HydrophobicContact CB-CG 3.94Å; P143-K148 HydrophobicContact CG-CG 3.88Å; P143-K148 VanDerWaalsContact O-CE 3.28Å; P143-K148 WeakPolarHBondContact O-CE 3.35Å; P143-L151 HydrophobicContact CB-CD1 4.28Å; P143-F166 VanDerWaalsContact CD-CD1 3.49Å; P143-F166 HydrophobicContact CG-CD1 3.83Å; P143-F166 HydrophobicContact CG-CD2 3.98Å; P143-F166 HydrophobicContact CG-CE1 3.9Å; P143-F166 HydrophobicContact CG-CE2 4.05Å; P143-F166 HydrophobicContact CG-CG 3.88Å; P143-F166 HydrophobicContact CG-CZ 4.02Å
144S97.3Very high96.2Very high46 Ų4682.2 Ų82.232%0.32241%0.405SS..  trans-65.4164.1170.470.10000111.8R146 E147 K148S144-R146 PolarHBondContact O-N 3.3Å; S144-E147 WeakPolarHBondContact CA-OE2 3.46Å; S144-E147 WeakPolarHBondContact CB-OE2 3.34Å; S144-E147 PolarHBondContact N-OE2 2.85Å; S144-E147 PolarHBondContact O-N 3.41Å; S144-E147 VanDerWaalsContact OG-CD 3.29Å; S144-E147 WeakPolarHBondContact OG-CG 3.26Å; S144-E147 PolarHBondContact OG-N 3.45Å; S144-E147 PolarHBondContact OG-OE2 3.37Å; S144-K148 VanDerWaalsContact O-CG 3.32Å; S144-K148 WeakPolarHBondContact O-CG 3.45Å; S144-K148 PolarHBondContact O-N 3.1Å
145P96.6Very high96.1Very high101 Ų10176.9 Ų76.966%0.65639%0.386SS*.Hα-helixtrans-56.3-31.4176.8-26.935.9000114.4R149P145-R149 PolarHBondContact O-N 3.09Å
146R96.9Very high96.1Very high164 Ų16474.1 Ų74.162%0.61939%0.392SS*.Hα-helixtrans-72.4-50.8176.4178.4-177.6166.4175.60.4111.1S144 K148 R149 E150S144-R146 PolarHBondContact O-N 3.3Å; R146-K148 PolarHBondContact O-N 2.75Å; R146-R149 WeakPolarHBondContact O-CA 3.11Å; R146-R149 VanDerWaalsContact O-CB 3.3Å; R146-R149 WeakPolarHBondContact O-CB 3.46Å; R146-R149 PolarHBondContact O-N 2.98Å; R146-E150 IonicContact CZ-OE1 3.65Å; R146-E150 IonicContact NE-OE1 2.9Å; R146-E150 PolarHBondContact NE-OE1 3.11Å; R146-E150 IonicContact NH2-OE1 3.54Å; R146-E150 PolarHBondContact O-N 3.19Å; R146-E150 VanDerWaalsContact O-N 3.08Å
147E96.8Very high96Very high57 Ų5772.6 Ų72.627%0.26639%0.388SS..Hα-helixtrans-61.8-33.6179.2-67.9161.2132.400111.5W136 P143 S144 R149 E150 L151W136-E147 HydrophobicContact CZ2-CB 4.03Å; W136-E147 HydrophobicContact CZ2-CG 4.16Å; P143-E147 HydrophobicContact CB-CB 4.01Å; S144-E147 WeakPolarHBondContact CA-OE2 3.46Å; S144-E147 WeakPolarHBondContact CB-OE2 3.34Å; S144-E147 PolarHBondContact N-OE2 2.85Å; S144-E147 PolarHBondContact O-N 3.41Å; S144-E147 VanDerWaalsContact OG-CD 3.29Å; S144-E147 WeakPolarHBondContact OG-CG 3.26Å; S144-E147 PolarHBondContact OG-N 3.45Å; S144-E147 PolarHBondContact OG-OE2 3.37Å; E147-R149 VanDerWaalsContact C-N 3.29Å; E147-R149 PolarHBondContact O-N 3.47Å; E147-E150 PolarHBondContact O-N 3.41Å; E147-L151 WeakPolarHBondContact O-CB 3.24Å; E147-L151 WeakPolarHBondContact O-CG 3.36Å; E147-L151 PolarHBondContact O-N 2.85Å
148K97.2Very high96Very high58 Ų5874.5 Ų74.525%0.25240%0.403SS..Hα-helixtrans-62.5-33.9172.1-73.8171.8174.7-173.50113.3P143 S144 R146 A152 V162 S163P143-K148 HydrophobicContact CB-CG 3.94Å; P143-K148 HydrophobicContact CG-CG 3.88Å; P143-K148 VanDerWaalsContact O-CE 3.28Å; P143-K148 WeakPolarHBondContact O-CE 3.35Å; S144-K148 VanDerWaalsContact O-CG 3.32Å; S144-K148 WeakPolarHBondContact O-CG 3.45Å; S144-K148 PolarHBondContact O-N 3.1Å; R146-K148 PolarHBondContact O-N 2.75Å; K148-A152 VanDerWaalsContact O-CB 3.27Å; K148-A152 WeakPolarHBondContact O-CB 3.32Å; K148-A152 PolarHBondContact O-N 2.89Å; K148-V162 HydrophobicContact CG-CG1 4.49Å; K148-S163 WeakPolarHBondContact CD-OG 3.39Å; K148-S163 PolarHBondContact NZ-OG 3.39Å
149R97.3Very high96.1Very high132 Ų13273.3 Ų73.350%0.49839%0.387SS..Hα-helixtrans-69.7-46.1174.1-102.9-179-75.1120.1-5.8110.7P145 R146 E147 L151 A152 E153 T159P145-R149 PolarHBondContact O-N 3.09Å; R146-R149 WeakPolarHBondContact O-CA 3.11Å; R146-R149 VanDerWaalsContact O-CB 3.3Å; R146-R149 WeakPolarHBondContact O-CB 3.46Å; R146-R149 PolarHBondContact O-N 2.98Å; E147-R149 VanDerWaalsContact C-N 3.29Å; E147-R149 PolarHBondContact O-N 3.47Å; R149-L151 VanDerWaalsContact C-N 3.32Å; R149-L151 PolarHBondContact O-N 3.31Å; R149-A152 WeakPolarHBondContact O-CB 3.39Å; R149-A152 PolarHBondContact O-N 3.49Å; R149-A152 VanDerWaalsContact O-N 3.13Å; R149-E153 WeakPolarHBondContact O-CG 3.38Å; R149-E153 PolarHBondContact O-N 2.73Å; R149-T159 HydrophobicContact CG-CG2 3.74Å
150E96.9Very high96.2Very high86 Ų8670 Ų7040%0.40238%0.378SS..Hα-helixtrans-60.9-41.7176.8-65.7168.6-174.700111.3R146 E147 E153 A154R146-E150 IonicContact CZ-OE1 3.65Å; R146-E150 IonicContact NE-OE1 2.9Å; R146-E150 PolarHBondContact NE-OE1 3.11Å; R146-E150 IonicContact NH2-OE1 3.54Å; R146-E150 PolarHBondContact O-N 3.19Å; R146-E150 VanDerWaalsContact O-N 3.08Å; E147-E150 PolarHBondContact O-N 3.41Å; E150-E153 PolarHBondContact O-N 2.96Å; E150-A154 WeakPolarHBondContact O-CB 3.48Å; E150-A154 PolarHBondContact O-N 3.42Å
151L96.4Very high96.3Very high7 Ų771 Ų714%0.03738%0.381CS..Hα-helixtrans-65.4-39.4173.8-77.9167.5000112.8V132 W136 P143 E147 R149 A154 T155 V162 F166V132-L151 HydrophobicContact CG1-CD2 4.08Å; W136-L151 HydrophobicContact CB-CD2 4.05Å; W136-L151 HydrophobicContact CD2-CD1 3.96Å; W136-L151 HydrophobicContact CE3-CD1 4.41Å; W136-L151 HydrophobicContact CG-CD1 4.04Å; W136-L151 HydrophobicContact CG-CD2 3.85Å; W136-L151 HydrophobicContact CG-CG 4.4Å; P143-L151 HydrophobicContact CB-CD1 4.28Å; E147-L151 WeakPolarHBondContact O-CB 3.24Å; E147-L151 WeakPolarHBondContact O-CG 3.36Å; E147-L151 PolarHBondContact O-N 2.85Å; R149-L151 VanDerWaalsContact C-N 3.32Å; R149-L151 PolarHBondContact O-N 3.31Å; L151-A154 PolarHBondContact O-N 3.07Å; L151-T155 VanDerWaalsContact O-CB 3.29Å; L151-T155 WeakPolarHBondContact O-CB 3.47Å; L151-T155 VanDerWaalsContact O-CG2 3.26Å; L151-T155 WeakPolarHBondContact O-CG2 3.48Å; L151-T155 PolarHBondContact O-N 3.11Å; L151-T155 PolarHBondContact O-OG1 3.35Å; L151-V162 HydrophobicContact CB-CG1 3.97Å; L151-V162 HydrophobicContact CB-CG2 4.5Å; L151-V162 HydrophobicContact CD1-CG1 4.18Å; L151-F166 HydrophobicContact CD1-CE2 3.78Å; L151-F166 HydrophobicContact CD1-CZ 3.89Å
152A97Very high96.3Very high9 Ų968.9 Ų68.97%0.07437%0.367CS..Hα-helixtrans-61-47.1175.700000110.8K148 R149 T155 G156 L157 T159 V162K148-A152 VanDerWaalsContact O-CB 3.27Å; K148-A152 WeakPolarHBondContact O-CB 3.32Å; K148-A152 PolarHBondContact O-N 2.89Å; R149-A152 WeakPolarHBondContact O-CB 3.39Å; R149-A152 PolarHBondContact O-N 3.49Å; R149-A152 VanDerWaalsContact O-N 3.13Å; A152-T155 PolarHBondContact O-N 2.9Å; A152-G156 WeakPolarHBondContact O-CA 3.3Å; A152-G156 PolarHBondContact O-N 3.17Å; A152-L157 CarbonylContact C-O 3.47Å; A152-L157 VanDerWaalsContact CA-O 3.31Å; A152-L157 WeakPolarHBondContact CA-O 3.45Å; A152-L157 WeakPolarHBondContact CB-O 3.44Å; A152-L157 PolarHBondContact O-N 3.06Å; A152-L157 VanDerWaalsContact O-N 3.11Å; A152-T159 HydrophobicContact CB-CG2 3.79Å; A152-V162 HydrophobicContact CB-CG2 4.21Å
153E96.4Very high96.3Very high152 Ų15263.3 Ų63.371%0.7135%0.35SS*.Hα-helixtrans-60.9-49175.4-71.3170.1-166.200111.8R149 E150 T155 G156R149-E153 WeakPolarHBondContact O-CG 3.38Å; R149-E153 PolarHBondContact O-N 2.73Å; E150-E153 PolarHBondContact O-N 2.96Å; E153-T155 VanDerWaalsContact C-N 3.31Å; E153-T155 PolarHBondContact O-N 3.41Å; E153-G156 PolarHBondContact O-N 3.43Å
154A94.8Very high96.3Very high68 Ų6866.5 Ų66.556%0.56237%0.367SS*.Hα-helixtrans-65.4-31.3-178.900000113.7E150 L151E150-A154 WeakPolarHBondContact O-CB 3.48Å; E150-A154 PolarHBondContact O-N 3.42Å; L151-A154 PolarHBondContact O-N 3.07Å
155T94.8Very high96.3Very high11 Ų1166.3 Ų66.37%0.06736%0.359CS..Hα-helixtrans-97.8-11.1-17660.30000114.2S129 V132 L133 L151 A152 E153 L157S129-T155 PolarHBondContact OG-O 3.26Å; V132-T155 HydrophobicContact CB-CG2 3.88Å; V132-T155 HydrophobicContact CG1-CG2 3.8Å; L133-T155 HydrophobicContact CD2-CG2 4.35Å; L133-T155 HydrophobicContact CG-CG2 4.18Å; L151-T155 VanDerWaalsContact O-CB 3.29Å; L151-T155 WeakPolarHBondContact O-CB 3.47Å; L151-T155 VanDerWaalsContact O-CG2 3.26Å; L151-T155 WeakPolarHBondContact O-CG2 3.48Å; L151-T155 PolarHBondContact O-N 3.11Å; L151-T155 PolarHBondContact O-OG1 3.35Å; A152-T155 PolarHBondContact O-N 2.9Å; E153-T155 VanDerWaalsContact C-N 3.31Å; E153-T155 PolarHBondContact O-N 3.41Å; T155-L157 PolarHBondContact O-N 3.47Å; T155-L157 WeakPolarHBondContact OG1-CB 3.01Å; T155-L157 WeakPolarHBondContact OG1-CG 3.49Å
156G94.9Very high96.3Very high71 Ų7161.6 Ų61.673%0.73233%0.328SS*.THydrogen-bonded Turntrans66.123.1-17100000113.3A152 E153A152-G156 WeakPolarHBondContact O-CA 3.3Å; A152-G156 PolarHBondContact O-N 3.17Å; E153-G156 PolarHBondContact O-N 3.43Å
157L95.1Very high96.3Very high23 Ų2358.9 Ų58.912%0.1232%0.321CS..  trans-102.8162178.5-60.2178000110.2F125 L133 A152 T155 Q161 V162F125-L157 HydrophobicContact CB-CD1 4.44Å; F125-L157 HydrophobicContact CB-CD2 4.42Å; F125-L157 HydrophobicContact CD1-CD1 4.1Å; F125-L157 HydrophobicContact CD1-CD2 3.53Å; F125-L157 HydrophobicContact CD1-CG 4.49Å; F125-L157 HydrophobicContact CD2-CD1 3.53Å; F125-L157 HydrophobicContact CD2-CD2 4.47Å; F125-L157 HydrophobicContact CE1-CD1 4.22Å; F125-L157 HydrophobicContact CE1-CD2 3.83Å; F125-L157 HydrophobicContact CE2-CD1 3.66Å; F125-L157 HydrophobicContact CG-CD1 3.77Å; F125-L157 HydrophobicContact CG-CD2 3.91Å; F125-L157 HydrophobicContact CZ-CD1 4.02Å; F125-L157 HydrophobicContact CZ-CD2 4.42Å; L133-L157 HydrophobicContact CD1-CD1 3.88Å; A152-L157 CarbonylContact C-O 3.47Å; A152-L157 VanDerWaalsContact CA-O 3.31Å; A152-L157 WeakPolarHBondContact CA-O 3.45Å; A152-L157 WeakPolarHBondContact CB-O 3.44Å; A152-L157 PolarHBondContact O-N 3.06Å; A152-L157 VanDerWaalsContact O-N 3.11Å; T155-L157 PolarHBondContact O-N 3.47Å; T155-L157 WeakPolarHBondContact OG1-CB 3.01Å; T155-L157 WeakPolarHBondContact OG1-CG 3.49Å; L157-Q161 HydrophobicContact CB-CB 4.25Å; L157-V162 HydrophobicContact CB-CG2 4.07Å; L157-V162 HydrophobicContact CD1-CG2 4.47Å
158T96.2Very high96.2Very high75 Ų7560.2 Ų60.246%0.4633%0.33SS..  trans-74.5151.4169.462.70000111T160 Q161 V162T158-T160 PolarHBondContact O-N 2.94Å; T158-T160 VanDerWaalsContact O-N 3.17Å; T158-Q161 WeakPolarHBondContact O-CB 3.41Å; T158-Q161 PolarHBondContact O-N 3.45Å; T158-Q161 WeakPolarHBondContact OG1-CB 3.33Å; T158-Q161 VanDerWaalsContact OG1-CD 3.29Å; T158-Q161 WeakPolarHBondContact OG1-CG 3.46Å; T158-Q161 PolarHBondContact OG1-N 3.12Å; T158-Q161 PolarHBondContact OG1-OE1 3.43Å; T158-V162 PolarHBondContact O-N 2.83Å
159T96.3Very high96.1Very high62 Ų6260.6 Ų60.638%0.3833%0.33SS..Hα-helixtrans-56.1-32.5174.9530000112.7R149 A152 S163R149-T159 HydrophobicContact CG-CG2 3.74Å; A152-T159 HydrophobicContact CB-CG2 3.79Å; T159-S163 WeakPolarHBondContact O-CB 3.21Å; T159-S163 PolarHBondContact O-N 3.24Å; T159-S163 PolarHBondContact O-OG 3.19Å
160T96.6Very high96.1Very high87 Ų8756.9 Ų56.953%0.53432%0.316SS..Hα-helixtrans-66.6-45.7173.1-57.40000111.9T158 V162 S163 N164T158-T160 PolarHBondContact O-N 2.94Å; T158-T160 VanDerWaalsContact O-N 3.17Å; T160-V162 PolarHBondContact O-N 3Å; T160-S163 PolarHBondContact O-N 3.46Å; T160-N164 WeakPolarHBondContact O-CB 3.41Å; T160-N164 VanDerWaalsContact O-CG 3.32Å; T160-N164 PolarHBondContact O-N 2.98Å; T160-N164 PolarHBondContact O-ND2 3.02Å
161Q95.3Very high96Very high75 Ų7557 Ų5735%0.3532%0.316SS..Hα-helixtrans-61.2-43.8176-79.3165.6-37.200111.7F125 L157 T158 N164 W165F125-Q161 HydrophobicContact CE1-CB 4.22Å; F125-Q161 HydrophobicContact CE1-CG 4.19Å; F125-Q161 HydrophobicContact CZ-CB 3.79Å; F125-Q161 HydrophobicContact CZ-CG 4.14Å; L157-Q161 HydrophobicContact CB-CB 4.25Å; T158-Q161 WeakPolarHBondContact O-CB 3.41Å; T158-Q161 PolarHBondContact O-N 3.45Å; T158-Q161 WeakPolarHBondContact OG1-CB 3.33Å; T158-Q161 VanDerWaalsContact OG1-CD 3.29Å; T158-Q161 WeakPolarHBondContact OG1-CG 3.46Å; T158-Q161 PolarHBondContact OG1-N 3.12Å; T158-Q161 PolarHBondContact OG1-OE1 3.43Å; Q161-N164 PolarHBondContact O-N 3.41Å; Q161-W165 WeakPolarHBondContact O-CB 3.41Å; Q161-W165 PolarHBondContact O-N 3.32Å
162V96.6Very high95.9Very high0 Ų064.2 Ų64.20%034%0.343CS..Hα-helixtrans-60.6-50.5174.3176.90000110.1L133 K148 L151 A152 L157 T158 T160 N164 W165 F166L133-V162 HydrophobicContact CD2-CG1 4.11Å; L133-V162 HydrophobicContact CD2-CG2 4.43Å; K148-V162 HydrophobicContact CG-CG1 4.49Å; L151-V162 HydrophobicContact CB-CG1 3.97Å; L151-V162 HydrophobicContact CB-CG2 4.5Å; L151-V162 HydrophobicContact CD1-CG1 4.18Å; A152-V162 HydrophobicContact CB-CG2 4.21Å; L157-V162 HydrophobicContact CB-CG2 4.07Å; L157-V162 HydrophobicContact CD1-CG2 4.47Å; T158-V162 PolarHBondContact O-N 2.83Å; T160-V162 PolarHBondContact O-N 3Å; V162-N164 VanDerWaalsContact C-N 3.31Å; V162-N164 PolarHBondContact O-N 3.2Å; V162-W165 WeakPolarHBondContact O-CB 3.35Å; V162-W165 PolarHBondContact O-N 3.44Å; V162-W165 VanDerWaalsContact O-N 3.11Å; V162-F166 HydrophobicContact CG1-CD2 3.88Å; V162-F166 HydrophobicContact CG1-CE2 3.86Å; V162-F166 WeakPolarHBondContact O-CD2 2.77Å; V162-F166 PolarHBondContact O-N 2.89Å
163S96.8Very high95.7Very high34 Ų3465.5 Ų65.524%0.23835%0.348CS..Hα-helixtrans-55.8-44.9178.3-67.20000112.7K148 T159 T160 K167K148-S163 WeakPolarHBondContact CD-OG 3.39Å; K148-S163 PolarHBondContact NZ-OG 3.39Å; T159-S163 WeakPolarHBondContact O-CB 3.21Å; T159-S163 PolarHBondContact O-N 3.24Å; T159-S163 PolarHBondContact O-OG 3.19Å; T160-S163 PolarHBondContact O-N 3.46Å; S163-K167 WeakPolarHBondContact O-CB 3.29Å; S163-K167 PolarHBondContact O-N 2.76Å
164N96.3Very high95.6Very high79 Ų7965.6 Ų65.642%0.42234%0.342SS..Hα-helixtrans-66.4-39177.9-75.6-22.4000112.1T160 Q161 V162 K167 N168T160-N164 WeakPolarHBondContact O-CB 3.41Å; T160-N164 VanDerWaalsContact O-CG 3.32Å; T160-N164 PolarHBondContact O-N 2.98Å; T160-N164 PolarHBondContact O-ND2 3.02Å; Q161-N164 PolarHBondContact O-N 3.41Å; V162-N164 VanDerWaalsContact C-N 3.31Å; V162-N164 PolarHBondContact O-N 3.2Å; N164-K167 PolarHBondContact O-N 3.3Å; N164-N168 VanDerWaalsContact O-CB 3.29Å; N164-N168 WeakPolarHBondContact O-CB 3.42Å; N164-N168 PolarHBondContact O-N 2.88Å; N164-N168 PolarHBondContact O-ND2 2.91Å
165W96.3Very high95.4Very high41 Ų4164.9 Ų64.916%0.15534%0.336CS..Hα-helixtrans-60.6-48.7177.2-173.196.7000111.5F125 L133 R134 Y137 Q161 V162 K167 N168 R169F125-W165 AromaticContact CD2-CD1 3.92Å; F125-W165 HydrophobicContact CE2-CB 4.12Å; F125-W165 AromaticContact CE2-CD1 3.66Å; F125-W165 HydrophobicContact CE2-CG 4.19Å; L133-W165 HydrophobicContact CB-CD2 3.97Å; L133-W165 HydrophobicContact CB-CE3 3.95Å; L133-W165 HydrophobicContact CB-CH2 3.76Å; L133-W165 HydrophobicContact CB-CZ2 3.75Å; L133-W165 HydrophobicContact CB-CZ3 3.86Å; L133-W165 HydrophobicContact CD1-CB 4.41Å; L133-W165 HydrophobicContact CD1-CD2 3.86Å; L133-W165 HydrophobicContact CD1-CE3 4.43Å; L133-W165 HydrophobicContact CD1-CG 3.81Å; L133-W165 HydrophobicContact CD2-CE3 4.42Å; L133-W165 HydrophobicContact CG-CD2 4.38Å; L133-W165 VanDerWaalsContact O-CH2 3.32Å; L133-W165 WeakPolarHBondContact O-CH2 3.39Å; L133-W165 WeakPolarHBondContact O-CZ3 3.26Å; R134-W165 HydrophobicContact CG-CH2 4.32Å; R134-W165 HydrophobicContact CG-CZ2 4.06Å; Y137-W165 HydrophobicContact CD2-CZ3 4.01Å; Y137-W165 HydrophobicContact CG-CH2 4.34Å; Y137-W165 HydrophobicContact CG-CZ3 4.18Å; Q161-W165 WeakPolarHBondContact O-CB 3.41Å; Q161-W165 PolarHBondContact O-N 3.32Å; V162-W165 WeakPolarHBondContact O-CB 3.35Å; V162-W165 PolarHBondContact O-N 3.44Å; V162-W165 VanDerWaalsContact O-N 3.11Å; W165-K167 PolarHBondContact O-N 3.42Å; W165-N168 PolarHBondContact O-N 2.87Å; W165-R169 HydrophobicContact CE3-CB 4.39Å; W165-R169 HydrophobicContact CH2-CB 4.42Å; W165-R169 HydrophobicContact CH2-CG 4.17Å; W165-R169 HydrophobicContact CZ3-CB 4.21Å; W165-R169 HydrophobicContact CZ3-CG 4.31Å; W165-R169 WeakPolarHBondContact O-CB 3.3Å; W165-R169 PolarHBondContact O-N 3.3Å
166F97.3Very high95.1Very high2 Ų267 Ų671%0.00936%0.356CS..Hα-helixtrans-63.6-42.7178.4-85.3-91.8000112.1L133 W136 Y137 P143 L151 V162 R169 R170L133-F166 HydrophobicContact CD2-CE2 3.74Å; W136-F166 HydrophobicContact CB-CZ 4.43Å; W136-F166 HydrophobicContact CD2-CZ 4.18Å; W136-F166 AromaticContact CE3-CE1 3.5Å; W136-F166 HydrophobicContact CE3-CE1 3.5Å; W136-F166 AromaticContact CE3-CZ 3.51Å; W136-F166 HydrophobicContact CE3-CZ 3.51Å; W136-F166 AromaticContact CZ3-CE1 3.87Å; W136-F166 HydrophobicContact CZ3-CE1 3.87Å; W136-F166 HydrophobicContact CZ3-CZ 4.17Å; Y137-F166 AromaticContact CD2-CD1 3.64Å; Y137-F166 HydrophobicContact CD2-CD1 3.64Å; Y137-F166 AromaticContact CD2-CE1 3.73Å; Y137-F166 HydrophobicContact CD2-CE1 3.73Å; Y137-F166 HydrophobicContact CE2-CD1 4.27Å; Y137-F166 HydrophobicContact CG-CE1 4.44Å; P143-F166 VanDerWaalsContact CD-CD1 3.49Å; P143-F166 HydrophobicContact CG-CD1 3.83Å; P143-F166 HydrophobicContact CG-CD2 3.98Å; P143-F166 HydrophobicContact CG-CE1 3.9Å; P143-F166 HydrophobicContact CG-CE2 4.05Å; P143-F166 HydrophobicContact CG-CG 3.88Å; P143-F166 HydrophobicContact CG-CZ 4.02Å; L151-F166 HydrophobicContact CD1-CE2 3.78Å; L151-F166 HydrophobicContact CD1-CZ 3.89Å; V162-F166 HydrophobicContact CG1-CD2 3.88Å; V162-F166 HydrophobicContact CG1-CE2 3.86Å; V162-F166 WeakPolarHBondContact O-CD2 2.77Å; V162-F166 PolarHBondContact O-N 2.89Å; F166-R169 PolarHBondContact O-N 2.99Å; F166-R170 WeakPolarHBondContact O-CG 3.48Å; F166-R170 PolarHBondContact O-N 3.49Å; F166-R170 VanDerWaalsContact O-N 3.09Å
167K96.4Very high94.9Very high108 Ų10868.2 Ų68.247%0.4734%0.342SS..Hα-helixtrans-57.2-51.2174.2179.4-177.6175.2179.40111.2S163 N164 W165 R169 R170 Q171S163-K167 WeakPolarHBondContact O-CB 3.29Å; S163-K167 PolarHBondContact O-N 2.76Å; N164-K167 PolarHBondContact O-N 3.3Å; W165-K167 PolarHBondContact O-N 3.42Å; K167-R169 VanDerWaalsContact C-N 3.34Å; K167-R169 PolarHBondContact O-N 3.18Å; K167-R170 PolarHBondContact O-N 3.32Å; K167-Q171 WeakPolarHBondContact O-CG 3.28Å; K167-Q171 PolarHBondContact O-N 3.03Å; K167-Q171 VanDerWaalsContact O-N 3.1Å
168N95.2Very high94.5Very high84 Ų8469.5 Ų69.545%0.44936%0.356SS..Hα-helixtrans-66.9-35.6-177.5-69.4-11.9000111.9N164 W165 Q171 R172N164-N168 VanDerWaalsContact O-CB 3.29Å; N164-N168 WeakPolarHBondContact O-CB 3.42Å; N164-N168 PolarHBondContact O-N 2.88Å; N164-N168 PolarHBondContact O-ND2 2.91Å; W165-N168 PolarHBondContact O-N 2.87Å; N168-Q171 PolarHBondContact O-N 3.46Å; N168-R172 WeakPolarHBondContact O-CG 3.33Å; N168-R172 PolarHBondContact O-N 3.37Å
169R95.8Very high94Very high67 Ų6773.1 Ų73.125%0.25337%0.365SS..Hα-helixtrans-63.1-50.6176.3-175.356.5169.5148.4-3.9111.3Y137 W165 F166 K167 Q171 R172 D173Y137-R169 HydrophobicContact CD1-CG 3.98Å; Y137-R169 HydrophobicContact CD2-CB 4.34Å; Y137-R169 HydrophobicContact CD2-CG 3.86Å; Y137-R169 HydrophobicContact CE1-CG 3.72Å; Y137-R169 HydrophobicContact CE2-CB 4.02Å; Y137-R169 HydrophobicContact CE2-CG 3.62Å; Y137-R169 HydrophobicContact CG-CG 4.05Å; W165-R169 HydrophobicContact CE3-CB 4.39Å; W165-R169 HydrophobicContact CH2-CB 4.42Å; W165-R169 HydrophobicContact CH2-CG 4.17Å; W165-R169 HydrophobicContact CZ3-CB 4.21Å; W165-R169 HydrophobicContact CZ3-CG 4.31Å; W165-R169 WeakPolarHBondContact O-CB 3.3Å; W165-R169 PolarHBondContact O-N 3.3Å; F166-R169 PolarHBondContact O-N 2.99Å; K167-R169 VanDerWaalsContact C-N 3.34Å; K167-R169 PolarHBondContact O-N 3.18Å; R169-Q171 VanDerWaalsContact C-N 3.28Å; R169-Q171 PolarHBondContact O-N 3Å; R169-R172 WeakPolarHBondContact O-CB 3.32Å; R169-R172 PolarHBondContact O-N 3Å; R169-R172 VanDerWaalsContact O-N 3.08Å; R169-D173 IonicContact CZ-OD1 3.84Å; R169-D173 IonicContact CZ-OD2 3.33Å; R169-D173 IonicContact NE-OD1 3.19Å; R169-D173 IonicContact NE-OD2 3.75Å; R169-D173 IonicContact NH1-OD1 2.73Å; R169-D173 PolarHBondContact NH1-OD1 2.84Å; R169-D173 IonicContact NH1-OD2 2.75Å; R169-D173 PolarHBondContact O-N 2.92Å
170R97.3Very high93.4Very high54 Ų5476.5 Ų76.520%0.20438%0.377CS..Hα-helixtrans-60.3-35.3175.8-67.4-166.6-57-932.8113.4Y137 P141 Y142 F166 K167 R174Y137-R170 HydrophobicContact CE2-CG 3.79Å; Y137-R170 WeakPolarHBondContact OH-CG 3.16Å; P141-R170 HydrophobicContact CB-CG 4.49Å; P141-R170 PolarHBondContact O-NH1 3.05Å; Y142-R170 VanDerWaalsContact CE1-CZ 3.47Å; Y142-R170 WeakPolarHBondContact OH-CD 3.14Å; F166-R170 WeakPolarHBondContact O-CG 3.48Å; F166-R170 PolarHBondContact O-N 3.49Å; F166-R170 VanDerWaalsContact O-N 3.09Å; K167-R170 PolarHBondContact O-N 3.32Å; R170-R174 WeakPolarHBondContact O-CG 3.27Å; R170-R174 PolarHBondContact O-N 2.9Å; R170-R174 VanDerWaalsContact O-N 3.15Å
171Q95Very high92.7Very high89 Ų8980.4 Ų80.442%0.41638%0.382SS..Hα-helixtrans-65.5-41174.9-75.7179.5-12.700112K167 N168 R169 A175K167-Q171 WeakPolarHBondContact O-CG 3.28Å; K167-Q171 PolarHBondContact O-N 3.03Å; K167-Q171 VanDerWaalsContact O-N 3.1Å; N168-Q171 PolarHBondContact O-N 3.46Å; R169-Q171 VanDerWaalsContact C-N 3.28Å; R169-Q171 PolarHBondContact O-N 3Å; Q171-A175 WeakPolarHBondContact O-CB 3.37Å; Q171-A175 PolarHBondContact O-N 3.2Å; Q171-A175 VanDerWaalsContact O-N 3.09Å
172R93.6Very high91.9Very high157 Ų15783 Ų8359%0.59239%0.394SS*.Hα-helixtrans-65.4-40.4176.7-77173.254.7-135.6-8.1112.4N168 R169 A175 A176N168-R172 WeakPolarHBondContact O-CG 3.33Å; N168-R172 PolarHBondContact O-N 3.37Å; R169-R172 WeakPolarHBondContact O-CB 3.32Å; R169-R172 PolarHBondContact O-N 3Å; R169-R172 VanDerWaalsContact O-N 3.08Å; R172-A175 PolarHBondContact O-N 3.35Å; R172-A176 PolarHBondContact O-N 2.83Å
173D93Very high90.7Very high36 Ų3688 Ų8819%0.19342%0.421CS..Hα-helixtrans-70.1-44.6-176.7-62.6-5000110.2Y137 R169 A175 A176 E177Y137-D173 VanDerWaalsContact CE1-OD2 3.26Å; Y137-D173 WeakPolarHBondContact CE1-OD2 3.36Å; Y137-D173 PolarHBondContact OH-OD2 3Å; Y137-D173 VanDerWaalsContact OH-OD2 3.09Å; R169-D173 IonicContact CZ-OD1 3.84Å; R169-D173 IonicContact CZ-OD2 3.33Å; R169-D173 IonicContact NE-OD1 3.19Å; R169-D173 IonicContact NE-OD2 3.75Å; R169-D173 IonicContact NH1-OD1 2.73Å; R169-D173 PolarHBondContact NH1-OD1 2.84Å; R169-D173 IonicContact NH1-OD2 2.75Å; R169-D173 PolarHBondContact O-N 2.92Å; D173-A175 VanDerWaalsContact C-N 3.3Å; D173-A175 PolarHBondContact O-N 3.25Å; D173-A176 WeakPolarHBondContact O-CB 3.15Å; D173-A176 PolarHBondContact O-N 3.28Å; D173-E177 WeakPolarHBondContact O-CG 3.31Å; D173-E177 PolarHBondContact O-N 2.72Å
174R94.6Very high89.6Confident154 Ų15490.5 Ų90.558%0.58144%0.435SS*.Hα-helixtrans-57.9-39.3170.6-73-171.5-67.2170.2-0.7113.5R170 A176 A178R170-R174 WeakPolarHBondContact O-CG 3.27Å; R170-R174 PolarHBondContact O-N 2.9Å; R170-R174 VanDerWaalsContact O-N 3.15Å; R174-A176 VanDerWaalsContact C-N 3.33Å; R174-A178 WeakPolarHBondContact O-CB 3.35Å; R174-A178 PolarHBondContact O-N 3.18Å
175A89.8Confident87.9Confident53 Ų5393.2 Ų93.244%0.43845%0.445SS..Hα-helixtrans-70.3-29.5177.600000112.8Q171 R172 D173 K179Q171-A175 WeakPolarHBondContact O-CB 3.37Å; Q171-A175 PolarHBondContact O-N 3.2Å; Q171-A175 VanDerWaalsContact O-N 3.09Å; R172-A175 PolarHBondContact O-N 3.35Å; D173-A175 VanDerWaalsContact C-N 3.3Å; D173-A175 PolarHBondContact O-N 3.25Å; A175-K179 WeakPolarHBondContact O-CG 3.45Å; A175-K179 PolarHBondContact O-N 3.17Å
176A89.3Confident86.2Confident57 Ų5796.6 Ų96.647%0.47147%0.466SS..Hα-helixtrans-72.1-45.5173.900000111R172 D173 R174 A178 K179 E180R172-A176 PolarHBondContact O-N 2.83Å; D173-A176 WeakPolarHBondContact O-CB 3.15Å; D173-A176 PolarHBondContact O-N 3.28Å; R174-A176 VanDerWaalsContact C-N 3.33Å; A176-A178 VanDerWaalsContact C-N 3.34Å; A176-A178 PolarHBondContact O-N 2.94Å; A176-K179 PolarHBondContact O-N 2.85Å; A176-E180 PolarHBondContact O-N 3.4Å
177E90.1Very high84.2Confident95 Ų95101.8 Ų101.844%0.44449%0.494SS..Hα-helixtrans-59.5-41.8175.9-69.6169.3-160.700112.3D173 K179 E180 R181D173-E177 WeakPolarHBondContact O-CG 3.31Å; D173-E177 PolarHBondContact O-N 2.72Å; E177-K179 PolarHBondContact O-N 2.65Å; E177-E180 PolarHBondContact O-N 3.24Å; E177-R181 WeakPolarHBondContact O-CG 3.34Å; E177-R181 PolarHBondContact O-N 3.28Å
178A87.4Confident82.2Confident51 Ų51102.5 Ų102.542%0.42150%0.503SS..Hα-helixtrans-61.3-42.7177.100000112.2R174 A176 R181 E182R174-A178 WeakPolarHBondContact O-CB 3.35Å; R174-A178 PolarHBondContact O-N 3.18Å; A176-A178 VanDerWaalsContact C-N 3.34Å; A176-A178 PolarHBondContact O-N 2.94Å; A178-R181 PolarHBondContact O-N 3.32Å; A178-E182 PolarHBondContact O-N 3.41Å; A178-E182 VanDerWaalsContact O-N 3.11Å
179K86.2Confident80.1Confident150 Ų150102.4 Ų102.465%0.65251%0.509SS*.Hα-helixtrans-66.6-36.7176.7-74.7-178.8175.2-167.70112.9A175 A176 E177 N183A175-K179 WeakPolarHBondContact O-CG 3.45Å; A175-K179 PolarHBondContact O-N 3.17Å; A176-K179 PolarHBondContact O-N 2.85Å; E177-K179 PolarHBondContact O-N 2.65Å; K179-N183 WeakPolarHBondContact O-CB 3.3Å; K179-N183 PolarHBondContact O-N 3.01Å; K179-N183 VanDerWaalsContact O-N 3.09Å
180E83.8Confident77.7Confident134 Ų134104.1 Ų104.163%0.62653%0.531SS*.Hα-helixtrans-66.5-39.2177.9-171.7174.7-173.600111.5A176 E177 N183 T184A176-E180 PolarHBondContact O-N 3.4Å; E177-E180 PolarHBondContact O-N 3.24Å; E180-N183 PolarHBondContact O-N 3.13Å; E180-T184 WeakPolarHBondContact O-CB 3.44Å; E180-T184 PolarHBondContact O-N 3.49Å; E180-T184 PolarHBondContact O-OG1 3.44Å
181R81.4Confident75.2Confident169 Ų169105.8 Ų105.864%0.63855%0.551SS**Hα-helixtrans-63.7-48.8173.6-68.9177.3-170.2-179.24.3112.2E177 A178 N183 T184 E185E177-R181 WeakPolarHBondContact O-CG 3.34Å; E177-R181 PolarHBondContact O-N 3.28Å; A178-R181 PolarHBondContact O-N 3.32Å; R181-N183 VanDerWaalsContact C-N 3.26Å; R181-N183 PolarHBondContact O-N 2.94Å; R181-T184 PolarHBondContact O-N 2.62Å; R181-T184 VanDerWaalsContact O-N 3.13Å; R181-E185 WeakPolarHBondContact O-CG 3.45Å; R181-E185 PolarHBondContact O-N 2.97Å
182E77.1Confident72.8Confident129 Ų129108.3 Ų108.360%0.60357%0.567SS**Hα-helixtrans-56.6-39.5176.1-75.8178.6171.600112.3A178 N186A178-E182 PolarHBondContact O-N 3.41Å; A178-E182 VanDerWaalsContact O-N 3.11Å; E182-N186 PolarHBondContact O-N 3.34Å
183N72.7Confident70.4Confident104 Ų104110.4 Ų110.456%0.55658%0.58SS**Hα-helixtrans-73.4-31.4-179.8-154.933000112.7K179 E180 R181 N187K179-N183 WeakPolarHBondContact O-CB 3.3Å; K179-N183 PolarHBondContact O-N 3.01Å; K179-N183 VanDerWaalsContact O-N 3.09Å; E180-N183 PolarHBondContact O-N 3.13Å; R181-N183 VanDerWaalsContact C-N 3.26Å; R181-N183 PolarHBondContact O-N 2.94Å; N183-N187 PolarHBondContact O-N 3.48Å
184T73.2Confident67.9Low87 Ų87116.8 Ų116.853%0.53461%0.609SS.*Hα-helixtrans-74-39.3177.3-53.80000111.4E180 R181 N187 N188E180-T184 WeakPolarHBondContact O-CB 3.44Å; E180-T184 PolarHBondContact O-N 3.49Å; E180-T184 PolarHBondContact O-OG1 3.44Å; R181-T184 PolarHBondContact O-N 2.62Å; R181-T184 VanDerWaalsContact O-N 3.13Å; T184-N187 PolarHBondContact O-N 2.9Å; T184-N188 PolarHBondContact O-N 3.11Å
185E61.4Low65.2Low136 Ų136116.6 Ų116.664%0.63662%0.62SS**Hα-helixtrans-66.8-36.3175.7-71.5177.517300112.6R181 S189R181-E185 WeakPolarHBondContact O-CG 3.45Å; R181-E185 PolarHBondContact O-N 2.97Å; E185-S189 PolarHBondContact O-N 3.46Å; E185-S189 VanDerWaalsContact O-N 3.15Å; E185-S189 PolarHBondContact O-OG 3.31Å
186N58.8Low62.7Low112 Ų112123.6 Ų123.660%0.59964%0.644SS**Hα-helixtrans-68.9-35.3173.5-88.4-14.9000113.3E182 S190E182-N186 PolarHBondContact O-N 3.34Å; N186-S190 PolarHBondContact O-OG 2.9Å
187N55.8Low60.2Low111 Ų111128.5 Ų128.559%0.59466%0.661SS**Hα-helixtrans-72.2-34.6175.9-90-22.6000112.7N183 T184 S189 S190 S191N183-N187 PolarHBondContact O-N 3.48Å; T184-N187 PolarHBondContact O-N 2.9Å; N187-S189 VanDerWaalsContact C-N 3.32Å; N187-S190 PolarHBondContact O-N 3.43Å; N187-S191 PolarHBondContact O-OG 3.08Å
188N54.3Low57.6Low124 Ų124129 Ų12966%0.66368%0.675SS**Hα-helixtrans-78.4-17178.2-144.520.3000113.1T184 S190T184-N188 PolarHBondContact O-N 3.11Å; N188-S190 VanDerWaalsContact C-N 3.31Å
189S51.4Low56Low82 Ų82132.2 Ų132.257%0.57369%0.691SS**THydrogen-bonded Turntrans-79.7-10.9172.5-60.70000113.6E185 N187E185-S189 PolarHBondContact O-N 3.46Å; E185-S189 VanDerWaalsContact O-N 3.15Å; E185-S189 PolarHBondContact O-OG 3.31Å; N187-S189 VanDerWaalsContact C-N 3.32Å
190S46.3Very low53.9Low103 Ų103132.7 Ų132.772%0.7270%0.7SS**THydrogen-bonded Turntrans-91.8-7.1177.6-60.10000113.5N186 N187 N188N186-S190 PolarHBondContact O-OG 2.9Å; N187-S190 PolarHBondContact O-N 3.43Å; N188-S190 VanDerWaalsContact C-N 3.31Å
191S44.1Very low51.4Low88 Ų88134.7 Ų134.762%0.61571%0.709SS**SBendtrans-104.1-0.5-177.5-3.60000114.1N187N187-S191 PolarHBondContact O-OG 3.08Å
192N43.6Very low49.2Very low142 Ų142130.3 Ų130.376%0.75972%0.717SS**  trans-140.857.4-177.7-146.616.4000114.2
193K43.6Very low47Very low201 Ų201128 Ų12887%0.87473%0.727SS**  trans-123.774.7159.3-75.3-168.9179.6179.20110.6
194Q42.1Very low45.6Very low171 Ų171132.9 Ų132.980%0.79974%0.744SS**  trans-125.1124.1148.1-96.4-177.8-11.200109.2
195N37.6Very low44.1Very low150 Ų150134.4 Ų134.480%0.80276%0.756SS**  trans68.2102.4165.7-66.7-11.1000118.8
196Q36.8Very low43Very low200 Ų200135.9 Ų135.994%0.93577%0.767SS**  -177.1154.291.5-87.3-157.976.300112.1
197L36.1Very low41.8Very low160 Ų160138.7 Ų138.784%0.83878%0.778SS**  trans-95.1135.9-167.8-81.3149.3000113.4
198S37Very low40.6Very low105 Ų105137.7 Ų137.773%0.73478%0.78SS**  trans70.4166.4144.1-440000121.7
199P53.8Low39.5Very low118 Ų118136.3 Ų136.377%0.76678%0.78SS**  -138.1170-55.740.4-23.3000115.8
200L41Very low38.7Very low161 Ų161138.1 Ų138.184%0.84379%0.793SS**  trans83.7151.2153.2-129.481.2000122.3
201E31.1Very low38.4Very low175 Ų175141.9 Ų141.982%0.81880%0.799SS**  trans93.4101.6166.2-78-80.9125.600120
202G35.1Very low37.9Very low77 Ų77146.8 Ų146.879%0.79481%0.812SS**  64.9119.7110.900000121.1
203G31.9Very low37.7Very low80 Ų80148.6 Ų148.683%0.82582%0.816SS**  trans141.8109.3148.600000116.9
204K41.8Very low37.3Very low207 Ų207148.2 Ų148.290%0.982%0.815SS**  trans-76155.1156.1-64176.7176174.70109.3
205P43.2Very low37.2Very low120 Ų120144.1 Ų144.178%0.77981%0.805SS**  -140.2149.491.225.1-4000112.2
206L36.9Very low37.7Very low166 Ų166142.2 Ų142.287%0.86980%0.801SS**  63.6102.269.8-155.185.9000115.9
207M35Very low38.1Very low171 Ų171138.3 Ų138.384%0.84279%0.793SS**  trans179.3120.3133.8-105.5-175.983.900108.6
208S29.5Very low38.3Very low90 Ų90140.2 Ų140.263%0.62980%0.798SS**  9299.187.6-1650000110.5
209S32.7Very low38.3Very low96 Ų96140 Ų14067%0.67180%0.796SS**  69.1112.696.5-160.70000112.6
210S33Very low37.6Very low119 Ų119140.1 Ų140.183%0.83280%0.797SS**  -167.8119.8122.5-89.20000109.9
211E40.2Very low37.2Very low183 Ų183140.5 Ų140.586%0.85580%0.799SS**  trans-67.6128.1166.9-50.417611100107.6
212E33.7Very low37.5Very low191 Ų191140.5 Ų140.589%0.89380%0.799SS**  trans-134.7105.9153.1-78.7-147.1133.500109.6F214E212-F214 PolarHBondContact O-N 2.93Å
213E40.7Very low37.5Very low180 Ų180144.4 Ų144.484%0.84180%0.802SS**  trans-55.9120.4162-151.2-166.3151.600109.1
214F34.1Very low37.5Very low193 Ų193146.2 Ų146.285%0.84680%0.802SS**  trans-141.6101.8165.7-151.2-92.3000111.3E212E212-F214 PolarHBondContact O-N 2.93Å
215S39.4Very low37Very low84 Ų84143.1 Ų143.159%0.58780%0.8SS**PPolyproline II helixtrans-61.3139171.1-72.30000111.3
216P48.4Very low36.5Very low111 Ų111145 Ų14572%0.72180%0.803SS**PPolyproline II helixtrans-78.4143164.469.4000110.6
217P46.2Very low36.3Very low118 Ų118144 Ų14477%0.76680%0.798SS**PPolyproline II helixtrans-70143.818028.7-33.2000111.8
218Q39Very low36.1Very low200 Ų200143.3 Ų143.394%0.93580%0.797SS**PPolyproline II helixtrans-57.9138.2170.8-69176.8-33.400110.8
219S37.8Very low36.1Very low101 Ų101148.3 Ų148.371%0.70681%0.81SS**  trans-105.8150.9163.47.50000108.1D221S219-D221 PolarHBondContact O-N 2.95Å
220P38.1Very low35.9Very low120 Ų120148.2 Ų148.278%0.77981%0.809SS**  trans-71.6121.2-159.928.3-33.3000111.3Q222P220-Q222 PolarHBondContact O-N 3.41Å
221D32.6Very low35.8Very low168 Ų168149.2 Ų149.290%0.89881%0.806SS**  trans-70.4111.4162.7-74.1-44.7000108.1S219S219-D221 PolarHBondContact O-N 2.95Å
222Q37.4Very low35.5Very low175 Ų175147.8 Ų147.882%0.81880%0.8SS**  trans-117128.4156.3-72.4-173-1.500108.1P220P220-Q222 PolarHBondContact O-N 3.41Å
223N35.1Very low35.3Very low160 Ų160141.6 Ų141.686%0.85679%0.788SS**SBendtrans81.290.1177.8-68.2-9.4000118
224S33.2Very low34.9Very low117 Ų117142.1 Ų142.182%0.81879%0.79SS**  178.279120.139.90000113.3
225V31.7Very low34.7Very low142 Ų142137.5 Ų137.586%0.86179%0.788SS**  trans-148.696.7156.9-1720000111.5
226L31.9Very low34.3Very low159 Ų159145.1 Ų145.183%0.83280%0.804SS**  trans-159.4137.5143.5-75.4-178.4000104.2
227L31.8Very low33.4Very low146 Ų146145.1 Ų145.176%0.76481%0.806SS**  cis-170.3126.50-109.4162.8000103.5
228L31.6Very low32.6Very low156 Ų156145 Ų14582%0.81781%0.808SS**  trans-16998.2136.6-151.966.4000110.1
229Q30.2Very low32.2Very low196 Ų196142.1 Ų142.192%0.91680%0.799SS**  trans-112.9103.6150.3-90.7177.71400107.2
230S27.3Very low31.9Very low94 Ų94148.4 Ų148.466%0.65781%0.809SS**  trans-89.3130.9149.3-51.50000106.1
231N31.6Very low31.6Very low140 Ų140148.2 Ų148.275%0.74981%0.811SS**  164.6135.6113.1-155.142000113.1
232M33.8Very low31.7Very low152 Ų152147.9 Ų147.975%0.74981%0.808SS**  trans68.6112.7149.7-75.9-77.3169.200120.2
233G28.4Very low32.3Very low62 Ų62145.7 Ų145.764%0.63981%0.809SS**  trans-75157.9161.900000112.8
234H32.7Very low31.9Very low190 Ų190141 Ų14188%0.8880%0.798SS**  trans-138.2115.8150.2-96-68.8000107.8
235A30.7Very low31.8Very low96 Ų96143.7 Ų143.779%0.79380%0.802SS**  trans-64.2135.2165.700000109.8
236R30.2Very low31.9Very low244 Ų244142.9 Ų142.992%0.92180%0.798SS**  trans-155.5112.8144.9-134.9173.5170-169.5-4.7111
237S29.4Very low31.9Very low111 Ų111139.7 Ų139.778%0.77680%0.795SS**  trans-58.2144.2167.7-43.60000111.5
238S30.7Very low32Very low116 Ų116138.4 Ų138.481%0.81180%0.798SS**  trans-162.3122136.7-110.30000111.2
239N31Very low32.1Very low139 Ų139139.7 Ų139.774%0.74380%0.8SS**  trans-54.3143.4170.4-64.2-26.7000112
240Y31.5Very low33.1Very low233 Ų233135 Ų13591%0.91479%0.787SS**  trans-148.4137.7132-75.1-66.3000110.5
241S30.8Very low33.4Very low117 Ų117134.9 Ų134.982%0.81879%0.786SS**  trans-85.9152.6-166.8-53.80000113.9
242L34.5Very low33.5Very low161 Ų161137.3 Ų137.384%0.84379%0.792SS**  trans-38.9171.9153.2-82164.9000114.5
243P49.5Very low33.3Very low129 Ų129133.3 Ų133.384%0.83879%0.79SS**  cis-156.6176.439.739.4-15.8000119.8
244G28.1Very low33.5Very low60 Ų60138.4 Ų138.462%0.61980%0.801SS**  trans-179105.8152.500000116.9
245L31.2Very low33.6Very low174 Ų174137.7 Ų137.791%0.91180%0.798SS**  trans71132.6134.1-54.9177.2000117.5
246T32Very low33.6Very low126 Ų126137 Ų13777%0.77379%0.793SS**  cis-159.8155.721.659.60000112.5
247A32.5Very low33.8Very low92 Ų92133.2 Ų133.276%0.7679%0.785SS**  trans8151.9145.900000121.4
248S33.3Very low34Very low118 Ų118133.9 Ų133.983%0.82578%0.776SS**  cis-174.9154.218.528.80000110.3
249Q34.8Very low34.3Very low183 Ų183135.5 Ų135.586%0.85577%0.771SS**  trans-82.2-171.1171.9-77.1-142.3-24.600113
250P51.1Low34.6Very low99 Ų99134.8 Ų134.864%0.64376%0.763SS**  cis-147.2168.67.842.7-21.2000120.5
251S34.1Very low35Very low91 Ų91131.1 Ų131.164%0.63676%0.758SS**  trans58148.5135.463.50000127.1
252H34.2Very low35.3Very low191 Ų191131.9 Ų131.988%0.88475%0.749SS**  trans88.2138.1166.4-65.5-85.4000116.7
253G29.6Very low35.3Very low68 Ų68129.7 Ų129.770%0.70174%0.738SS**  cis149.8129.62.700000110.3
254L32.4Very low34.8Very low169 Ų169127.5 Ų127.589%0.88573%0.725SS**  trans70.4128.3152-70.5163.9000123.5
255Q33.8Very low35.3Very low174 Ų174131 Ų13181%0.81373%0.73SS**  111105.8126-140.8145.39.900122.2
256A31.5Very low35.7Very low82 Ų82130.1 Ų130.168%0.67873%0.725SS**  41.4125.8127.900000124.2
257H34.8Very low36.1Very low164 Ų164127.5 Ų127.576%0.75972%0.723SS**  178115.7121.7-120.353.2000108.8
258Q33.4Very low37.2Very low125 Ų125128.6 Ų128.658%0.58472%0.722SS**  78.810781.9-164.9177.5-300115.6
259H36.5Very low37.5Very low151 Ų151130.5 Ų130.570%0.69972%0.722SS**  trans160.4107.4132-90.799.3000107.2
260Q36.2Very low38Very low124 Ų124128.2 Ų128.258%0.57972%0.721SS**  55.9106.671.8-151.5169.517.100109.5
261L40.5Very low37.7Very low155 Ų155128.6 Ų128.681%0.81273%0.726SS**  -149.3128.672.6-70.2158.9000108.1
262Q37Very low38.3Very low133 Ų133133.5 Ų133.562%0.62176%0.76SS**  44.5130.571.2-74.4-175.5-69.100111.8
263D34.9Very low38.5Very low115 Ų115130.6 Ų130.662%0.61575%0.754SS**  cis-171.7148.311.3-127.7-41.5000106.6
264S39.3Very low39Very low83 Ų83133.9 Ų133.958%0.5876%0.757SS**  trans73.5148130-67.80000120.7
265L37.7Very low39.3Very low135 Ų135131.9 Ų131.971%0.70775%0.75SS**  cis-173.3152.2-7.4-106.2164.9000105.4
266L40.6Very low39.6Very low155 Ų155129.5 Ų129.581%0.81275%0.746SS**  trans64.8116.2141.3-64.1162000120.6
267G39.1Very low40.2Very low71 Ų71132.4 Ų132.473%0.73275%0.75SS**  110.5162.210400000118.3
268P57.1Low40.5Very low114 Ų114130.3 Ų130.374%0.7475%0.749SS**  trans-124.3-176.3-136.734.7-16.1000115.6
269L39.7Very low41Very low159 Ų159130.7 Ų130.783%0.83276%0.761SS**  trans75.8143.2167.4-42.7174000113.3
270T45.3Very low41.4Very low134 Ų134129.2 Ų129.282%0.82277%0.766SS**  cis-159.1168.341.359.60000112.5
271S43.2Very low41.8Very low107 Ų107129.6 Ų129.675%0.74878%0.782SS**  trans-29.6145.9162.9-154.60000118.9
272S47.3Very low41.9Very low194 Ų194127.3 Ų127.3100%1.35778%0.779SS**  -1620126.5-73.50000109.1

Retrieved 272 of 272 residues in 615.6 ms (Link to these results)

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