A0A087YFX2_POEFO Loading...

Muscarinic acetylcholine receptor

The muscarinic acetylcholine receptor mediates various cellular responses, including inhibition of adenylate cyclase, breakdown of phosphoinositides and modulation of potassium channels through the action of G proteins.

AlphaFold DB , UniProt , Accession A0A087YFX2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 502 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
1M37.1Very low34.3Very low218 Ų218156.6 Ų156.6100%1.07482%0.818SS**  040.50-61.6-175.6-178.900110.8
2D32.7Very low34.4Very low139 Ų139152.3 Ų152.374%0.74381%0.811SS**  35.7100108.2-20.5-49000113.2
3V38.1Very low35.2Very low134 Ų134156.6 Ų156.681%0.81282%0.823SS**  61.510052.2-169.50000112.3
4F34.8Very low35.3Very low195 Ų195149.6 Ų149.686%0.85581%0.808SS**  trans-145.1119.1149.3-104.5-74.9000111
5N35.3Very low35.6Very low153 Ų153150.7 Ų150.782%0.81881%0.813SS**  trans-99.2138.3160.2-103.7-24000107.2
6F31.8Very low35.7Very low182 Ų182152.7 Ų152.780%0.79882%0.815SS**  trans-152.989.4165.1-133.1-111.7000108.2
7T34Very low36Very low93 Ų93150.4 Ų150.457%0.57181%0.809SS**  90.2124.38656.10000114.4
8S31.1Very low36.4Very low93 Ų93152.4 Ų152.465%0.6581%0.812SS**  trans33.2108148.1590000119.2N10S8-N10 PolarHBondContact O-N 3.4Å
9W29Very low36.4Very low263 Ų263151.1 Ų151.1100%0.99681%0.81SS**  trans-72.3111.5146.1-82.947.3000108.5
10N30.5Very low36.6Very low142 Ų142152 Ų15276%0.75981%0.811SS**  trans-76.8127.9164.4-86.5-12.2000108.6S8 S12S8-N10 PolarHBondContact O-N 3.4Å; N10-S12 PolarHBondContact O-N 3.46Å
11A43Very low36.9Very low111 Ų111150.8 Ų150.892%0.91780%0.801SS**  trans-70.9123.4163.700000108.9
12S35Very low37.4Very low105 Ų105149.3 Ų149.373%0.73479%0.791SS**  trans-135.6118.5167.553.50000107.6N10 G14N10-S12 PolarHBondContact O-N 3.46Å; S12-G14 VanDerWaalsContact C-N 3.27Å; S12-G14 PolarHBondContact O-N 3.12Å
13E45.4Very low38.5Very low208 Ų208150.1 Ų150.197%0.97278%0.784SS**  trans-69.683.4-179.4-66.5173.7120.300110.2N15E13-N15 PolarHBondContact O-N 2.99Å
14G36.3Very low39.6Very low59 Ų59150.9 Ų150.961%0.60878%0.783SS**  trans-72.1119.316600000109S12 E16S12-G14 VanDerWaalsContact C-N 3.27Å; S12-G14 PolarHBondContact O-N 3.12Å; G14-E16 PolarHBondContact O-N 3.36Å
15N40Very low41Very low165 Ų165143.4 Ų143.488%0.88276%0.755SS**  trans-75.878.5174.6-14813.6000108.3E13 T17E13-N15 PolarHBondContact O-N 2.99Å; N15-T17 VanDerWaalsContact C-N 3.31Å; N15-T17 PolarHBondContact O-N 3.32Å
16E37.6Very low42.7Very low183 Ų183140.4 Ų140.486%0.85574%0.744SS**  trans-66.192.6174.9-69.9-167.7157.200108.9G14 E18G14-E16 PolarHBondContact O-N 3.36Å; E16-E18 PolarHBondContact O-N 3.31Å
17T40.7Very low45.1Very low114 Ų114134.4 Ų134.470%0.69972%0.717SS**  trans-52.5120.9158.449.40000107.3N15 V19N15-T17 VanDerWaalsContact C-N 3.31Å; N15-T17 PolarHBondContact O-N 3.32Å; T17-V19 PolarHBondContact O-N 3.47Å
18E42.1Very low47.7Very low187 Ų187137.2 Ų137.287%0.87472%0.721SS**  trans-53.7102.3175.4-72.8-172.7120.500109E16 M20E16-E18 PolarHBondContact O-N 3.31Å; E18-M20 VanDerWaalsContact C-N 3.28Å; E18-M20 PolarHBondContact O-N 3.39Å
19V37.6Very low50.4Low126 Ų126138.4 Ų138.476%0.76472%0.724SS**  trans-66.1101.2165.5177.20000104.3T17 E21T17-V19 PolarHBondContact O-N 3.47Å; V19-E21 VanDerWaalsContact C-N 3.27Å; V19-E21 PolarHBondContact O-N 3.16Å
20M39.4Very low53.3Low170 Ų170131.6 Ų131.684%0.83771%0.712SS**  trans-57100.3169.3-73.9-171.669.400106.8E18 E22E18-M20 VanDerWaalsContact C-N 3.28Å; E18-M20 PolarHBondContact O-N 3.39Å; M20-E22 VanDerWaalsContact C-N 3.31Å; M20-E22 PolarHBondContact O-N 2.97Å
21E43.3Very low56.1Low127 Ų127128.7 Ų128.759%0.59369%0.694SS**  trans-60.996.6177.9-172.3-169.5-116.800107V19 R23V19-E21 VanDerWaalsContact C-N 3.27Å; V19-E21 PolarHBondContact O-N 3.16Å; E21-R23 PolarHBondContact O-N 3.17Å; E21-R23 IonicContact OE2-CZ 2.76Å; E21-R23 VanDerWaalsContact OE2-CZ 3.22Å; E21-R23 IonicContact OE2-NE 2.87Å; E21-R23 PolarHBondContact OE2-NE 2.82Å; E21-R23 IonicContact OE2-NH2 4Å; E21-R23 PolarHBondContact OE2-NH2 3.03Å
22E47Very low58.4Low186 Ų186124.8 Ų124.887%0.86966%0.658SS**  trans-64.583.9171.7-78.7-160.1122.400107.3M20 D24M20-E22 VanDerWaalsContact C-N 3.31Å; M20-E22 PolarHBondContact O-N 2.97Å; E22-D24 VanDerWaalsContact C-N 3.27Å; E22-D24 PolarHBondContact O-N 3.49Å
23R56.9Low61.2Low156 Ų156123.5 Ų123.559%0.58965%0.646SS**  trans-73.290-178-162.6174.5-65.3179.7-2107.2E21E21-R23 PolarHBondContact O-N 3.17Å; E21-R23 IonicContact OE2-CZ 2.76Å; E21-R23 VanDerWaalsContact OE2-CZ 3.22Å; E21-R23 IonicContact OE2-NE 2.87Å; E21-R23 PolarHBondContact OE2-NE 2.82Å; E21-R23 IonicContact OE2-NH2 4Å; E21-R23 PolarHBondContact OE2-NH2 3.03Å
24D60.3Low63.6Low150 Ų150120.4 Ų120.480%0.80263%0.629SS**  trans-42.5145.6-179-106-36.5000112E22E22-D24 VanDerWaalsContact C-N 3.27Å; E22-D24 PolarHBondContact O-N 3.49Å
25S63.8Low66.3Low39 Ų39119.4 Ų119.427%0.27361%0.61SS.*  trans-54.1137.6174.8-177.30000109.8Y27 V94S25-Y27 PolarHBondContact O-N 2.94Å; S25-V94 WeakPolarHBondContact CB-O 3.31Å; S25-V94 PolarHBondContact OG-O 3Å
26P71.3Confident69Low90 Ų90114.9 Ų114.958%0.58459%0.588SS**SBendtrans-65.91.5177.627.9-35.6000113.7
27Y82.6Confident71.8Confident56 Ų56111.9 Ų111.922%0.2258%0.577CS.*SBendtrans-122.7142.4179.5-63.8-70.7000110.8S25 E31 I35 I93S25-Y27 PolarHBondContact O-N 2.94Å; Y27-E31 HydrophobicContact CD1-CB 4.38Å; Y27-I35 HydrophobicContact CD1-CD1 3.84Å; Y27-I35 HydrophobicContact CD2-CD1 3.93Å; Y27-I35 HydrophobicContact CE1-CD1 3.95Å; Y27-I35 HydrophobicContact CE2-CD1 4.05Å; Y27-I35 HydrophobicContact CG-CD1 3.83Å; Y27-I93 HydrophobicContact CE2-CG2 3.61Å
28K88Confident74.4Confident151 Ų151109.2 Ų109.266%0.65756%0.561SS**  trans-64.8154.7172.8-63.7172.7-176.2166.90110.2V30 E31 V32K28-V30 PolarHBondContact O-N 3.1Å; K28-E31 HydrophobicContact CB-CG 4.3Å; K28-E31 PolarHBondContact N-OE2 3Å; K28-E31 CarbonylContact O-C 3.59Å; K28-E31 WeakPolarHBondContact O-CA 3.26Å; K28-E31 WeakPolarHBondContact O-CB 3.47Å; K28-E31 PolarHBondContact O-N 3.27Å; K28-V32 PolarHBondContact O-N 3.27Å
29T87.9Confident77Confident118 Ų118100.6 Ų100.672%0.72452%0.521SS*.Hα-helixtrans-51.4-37.2-177.9-360000113.6V33T29-V33 WeakPolarHBondContact O-CB 3.44Å; T29-V33 VanDerWaalsContact O-CG2 3.3Å; T29-V33 WeakPolarHBondContact O-CG2 3.34Å; T29-V33 PolarHBondContact O-N 3.03Å
30V90.8Very high79.8Confident121 Ų12196.1 Ų96.173%0.73350%0.501SS*.Hα-helixtrans-68.3-38.6176.3-178.30000112.1K28 F34K28-V30 PolarHBondContact O-N 3.1Å; V30-F34 WeakPolarHBondContact O-CB 3.35Å; V30-F34 PolarHBondContact O-N 3.41Å
31E90.1Very high82.6Confident81 Ų8190.9 Ų90.938%0.37948%0.481SS..Hα-helixtrans-70.2-42.1177.2-64.4159.4-177.100110.4Y27 K28 F34 I35Y27-E31 HydrophobicContact CD1-CB 4.38Å; K28-E31 HydrophobicContact CB-CG 4.3Å; K28-E31 PolarHBondContact N-OE2 3Å; K28-E31 CarbonylContact O-C 3.59Å; K28-E31 WeakPolarHBondContact O-CA 3.26Å; K28-E31 WeakPolarHBondContact O-CB 3.47Å; K28-E31 PolarHBondContact O-N 3.27Å; E31-F34 PolarHBondContact O-N 3.08Å; E31-I35 WeakPolarHBondContact O-CB 3.45Å; E31-I35 VanDerWaalsContact O-CG1 3.24Å; E31-I35 WeakPolarHBondContact O-CG1 3.49Å; E31-I35 PolarHBondContact O-N 3.08Å
32V91Very high85.2Confident29 Ų2986.8 Ų86.818%0.17646%0.463CS..Hα-helixtrans-56.5-52.1171.6169.90000111.2K28 F34 I35 V36 V94K28-V32 PolarHBondContact O-N 3.27Å; V32-F34 VanDerWaalsContact C-N 3.3Å; V32-F34 PolarHBondContact O-N 3.47Å; V32-I35 PolarHBondContact O-N 3.49Å; V32-V36 HydrophobicContact CG1-CG2 4.39Å; V32-V36 WeakPolarHBondContact O-CG2 3.32Å; V32-V36 PolarHBondContact O-N 3.14Å; V32-V94 HydrophobicContact CG1-CG1 3.67Å
33V93.8Very high87.6Confident78 Ų7878.2 Ų78.247%0.47342%0.423SS..Hα-helixtrans-59.8-41.6178.6167.90000111T29 L37T29-V33 WeakPolarHBondContact O-CB 3.44Å; T29-V33 VanDerWaalsContact O-CG2 3.3Å; T29-V33 WeakPolarHBondContact O-CG2 3.34Å; T29-V33 PolarHBondContact O-N 3.03Å; V33-L37 HydrophobicContact CG1-CD1 3.79Å; V33-L37 HydrophobicContact CG1-CG 4.41Å; V33-L37 WeakPolarHBondContact O-CB 3.37Å; V33-L37 WeakPolarHBondContact O-CG 3.27Å; V33-L37 PolarHBondContact O-N 2.93Å
34F94.8Very high89.6Confident143 Ų14375.5 Ų75.563%0.62742%0.42SS*.Hα-helixtrans-63.3-46.9175.7-179.8-99.6000112.6V30 E31 V32 L37 V38V30-F34 WeakPolarHBondContact O-CB 3.35Å; V30-F34 PolarHBondContact O-N 3.41Å; E31-F34 PolarHBondContact O-N 3.08Å; V32-F34 VanDerWaalsContact C-N 3.3Å; V32-F34 PolarHBondContact O-N 3.47Å; F34-L37 PolarHBondContact O-N 3.09Å; F34-V38 HydrophobicContact CD1-CG2 4.36Å; F34-V38 HydrophobicContact CD2-CG2 4.28Å; F34-V38 HydrophobicContact CE1-CG2 4Å; F34-V38 HydrophobicContact CE2-CG2 3.92Å; F34-V38 HydrophobicContact CG-CG2 4.5Å; F34-V38 HydrophobicContact CZ-CG2 3.77Å; F34-V38 WeakPolarHBondContact O-CB 3.36Å; F34-V38 WeakPolarHBondContact O-CG2 3.47Å; F34-V38 PolarHBondContact O-N 2.91Å
35I93.9Very high91.3Very high37 Ų3772.4 Ų72.419%0.1941%0.406CS..Hα-helixtrans-59.5-48.9177.8-71163.7000110.5Y27 E31 V32 L37 V38 A39 V94Y27-I35 HydrophobicContact CD1-CD1 3.84Å; Y27-I35 HydrophobicContact CD2-CD1 3.93Å; Y27-I35 HydrophobicContact CE1-CD1 3.95Å; Y27-I35 HydrophobicContact CE2-CD1 4.05Å; Y27-I35 HydrophobicContact CG-CD1 3.83Å; E31-I35 WeakPolarHBondContact O-CB 3.45Å; E31-I35 VanDerWaalsContact O-CG1 3.24Å; E31-I35 WeakPolarHBondContact O-CG1 3.49Å; E31-I35 PolarHBondContact O-N 3.08Å; V32-I35 PolarHBondContact O-N 3.49Å; I35-L37 PolarHBondContact O-N 3.13Å; I35-V38 PolarHBondContact O-N 3.01Å; I35-A39 WeakPolarHBondContact O-CB 3.28Å; I35-A39 PolarHBondContact O-N 2.8Å; I35-V94 HydrophobicContact CG2-CG2 3.93Å
36V95.3Very high93Very high70 Ų7070.6 Ų70.642%0.42439%0.393SS..Hα-helixtrans-61.8-44179.6171.80000111.5V32 G40 V94V32-V36 HydrophobicContact CG1-CG2 4.39Å; V32-V36 WeakPolarHBondContact O-CG2 3.32Å; V32-V36 PolarHBondContact O-N 3.14Å; V36-G40 WeakPolarHBondContact O-CA 3.45Å; V36-G40 PolarHBondContact O-N 3.33Å; V36-V94 HydrophobicContact CG2-CG1 4.37Å; V36-V94 HydrophobicContact CG2-CG2 3.75Å
37L96.4Very high94.3Very high120 Ų12067.7 Ų67.763%0.62837%0.373SS*.Hα-helixtrans-64.5-45.1177.8-73.3171.3000112V33 F34 I35 S41V33-L37 HydrophobicContact CG1-CD1 3.79Å; V33-L37 HydrophobicContact CG1-CG 4.41Å; V33-L37 WeakPolarHBondContact O-CB 3.37Å; V33-L37 WeakPolarHBondContact O-CG 3.27Å; V33-L37 PolarHBondContact O-N 2.93Å; F34-L37 PolarHBondContact O-N 3.09Å; I35-L37 PolarHBondContact O-N 3.13Å; L37-S41 VanDerWaalsContact O-CB 3.25Å; L37-S41 WeakPolarHBondContact O-CB 3.42Å; L37-S41 PolarHBondContact O-N 3.08Å; L37-S41 PolarHBondContact O-OG 3.23Å
38V96.6Very high94.9Very high59 Ų5969 Ų6936%0.35838%0.383SS..Hα-helixtrans-66.3-53.11791720000110.8F34 I35 G40 S41 L42F34-V38 HydrophobicContact CD1-CG2 4.36Å; F34-V38 HydrophobicContact CD2-CG2 4.28Å; F34-V38 HydrophobicContact CE1-CG2 4Å; F34-V38 HydrophobicContact CE2-CG2 3.92Å; F34-V38 HydrophobicContact CG-CG2 4.5Å; F34-V38 HydrophobicContact CZ-CG2 3.77Å; F34-V38 WeakPolarHBondContact O-CB 3.36Å; F34-V38 WeakPolarHBondContact O-CG2 3.47Å; F34-V38 PolarHBondContact O-N 2.91Å; I35-V38 PolarHBondContact O-N 3.01Å; V38-G40 PolarHBondContact O-N 2.92Å; V38-S41 PolarHBondContact O-N 2.98Å; V38-S41 PolarHBondContact O-OG 3.37Å; V38-L42 HydrophobicContact CG1-CD1 4.04Å; V38-L42 WeakPolarHBondContact O-CG 3.29Å; V38-L42 PolarHBondContact O-N 2.93Å
39A96.3Very high95.4Very high5 Ų562.4 Ų62.44%0.04136%0.357CS..Hα-helixtrans-61.9-44.9-178.800000112.2I35 S41 L42 S43 T90 W463I35-A39 WeakPolarHBondContact O-CB 3.28Å; I35-A39 PolarHBondContact O-N 2.8Å; A39-S41 VanDerWaalsContact C-N 3.34Å; A39-S41 PolarHBondContact O-N 3.24Å; A39-L42 PolarHBondContact O-N 3Å; A39-S43 WeakPolarHBondContact O-CB 3.29Å; A39-S43 PolarHBondContact O-N 3.25Å; A39-T90 HydrophobicContact CB-CG2 3.92Å; A39-T90 WeakPolarHBondContact CB-OG1 3.44Å; A39-W463 HydrophobicContact CB-CH2 3.63Å; A39-W463 HydrophobicContact CB-CZ2 3.77Å; A39-W463 HydrophobicContact CB-CZ3 4.36Å
40G96.9Very high95.8Very high33 Ų3356.8 Ų56.834%0.3432%0.323SS..Hα-helixtrans-61.6-38.917500000112.8V36 V38 L44V36-G40 WeakPolarHBondContact O-CA 3.45Å; V36-G40 PolarHBondContact O-N 3.33Å; V38-G40 PolarHBondContact O-N 2.92Å; G40-L44 WeakPolarHBondContact O-CB 3.41Å; G40-L44 PolarHBondContact O-N 3.22Å
41S97.7Very high96.1Very high60 Ų6054.4 Ų54.442%0.4231%0.305SS..Hα-helixtrans-66.8-39.5175.178.40000112.7L37 V38 A39 L44 V45L37-S41 VanDerWaalsContact O-CB 3.25Å; L37-S41 WeakPolarHBondContact O-CB 3.42Å; L37-S41 PolarHBondContact O-N 3.08Å; L37-S41 PolarHBondContact O-OG 3.23Å; V38-S41 PolarHBondContact O-N 2.98Å; V38-S41 PolarHBondContact O-OG 3.37Å; A39-S41 VanDerWaalsContact C-N 3.34Å; A39-S41 PolarHBondContact O-N 3.24Å; S41-L44 PolarHBondContact O-N 3.5Å; S41-V45 WeakPolarHBondContact O-CB 3.12Å; S41-V45 VanDerWaalsContact O-CG2 3.29Å; S41-V45 WeakPolarHBondContact O-CG2 3.44Å; S41-V45 PolarHBondContact O-N 2.87Å
42L97.3Very high96.4Very high40 Ų4051.5 Ų51.521%0.20929%0.292CS..Hα-helixtrans-67.5-42.9176.8-71.9171000111.7V38 A39 V45 T46 I467 T470V38-L42 HydrophobicContact CG1-CD1 4.04Å; V38-L42 WeakPolarHBondContact O-CG 3.29Å; V38-L42 PolarHBondContact O-N 2.93Å; A39-L42 PolarHBondContact O-N 3Å; L42-V45 PolarHBondContact O-N 2.97Å; L42-T46 VanDerWaalsContact O-CB 3.3Å; L42-T46 WeakPolarHBondContact O-CB 3.47Å; L42-T46 PolarHBondContact O-N 3Å; L42-T46 PolarHBondContact O-OG1 3.02Å; L42-I467 HydrophobicContact CD1-CD1 4.18Å; L42-I467 HydrophobicContact CD1-CG1 4.19Å; L42-T470 HydrophobicContact CD2-CG2 4.36Å
43S98.2Very high96.6Very high6 Ų650.1 Ų50.14%0.04228%0.284CS..Hα-helixtrans-54.6-54.5170.9171.10000110.8A39 V45 T46 I47 G82 N87A39-S43 WeakPolarHBondContact O-CB 3.29Å; A39-S43 PolarHBondContact O-N 3.25Å; S43-V45 PolarHBondContact O-N 3.18Å; S43-T46 WeakPolarHBondContact O-CB 3.48Å; S43-T46 PolarHBondContact O-N 3.38Å; S43-T46 VanDerWaalsContact O-N 3.12Å; S43-I47 WeakPolarHBondContact O-CD1 3.31Å; S43-I47 VanDerWaalsContact O-CG1 3.25Å; S43-I47 WeakPolarHBondContact O-CG1 3.34Å; S43-I47 PolarHBondContact O-N 3.46Å; S43-G82 PolarHBondContact OG-O 3.21Å; S43-N87 WeakPolarHBondContact CB-OD1 3.41Å; S43-N87 PolarHBondContact OG-ND2 3.45Å; S43-N87 VanDerWaalsContact OG-ND2 3.15Å; S43-N87 PolarHBondContact OG-OD1 3.31Å
44L97.9Very high96.7Very high100 Ų10048.4 Ų48.452%0.52427%0.271SS..Hα-helixtrans-59.6-44.4179.8-175.762.1000113.1G40 S41 T46 I47 I48G40-L44 WeakPolarHBondContact O-CB 3.41Å; G40-L44 PolarHBondContact O-N 3.22Å; S41-L44 PolarHBondContact O-N 3.5Å; L44-T46 VanDerWaalsContact C-N 3.34Å; L44-I47 PolarHBondContact O-N 2.91Å; L44-I48 HydrophobicContact CD1-CD1 3.77Å; L44-I48 HydrophobicContact CD1-CG1 4.22Å; L44-I48 HydrophobicContact CG-CD1 3.85Å; L44-I48 WeakPolarHBondContact O-CB 3.32Å; L44-I48 VanDerWaalsContact O-CG1 3.32Å; L44-I48 WeakPolarHBondContact O-CG1 3.37Å; L44-I48 PolarHBondContact O-N 2.83Å
45V97.8Very high96.6Very high85 Ų8544.4 Ų44.452%0.51526%0.256SS..Hα-helixtrans-65-38.1176.5171.40000111.5S41 L42 S43 G49 T470S41-V45 WeakPolarHBondContact O-CB 3.12Å; S41-V45 VanDerWaalsContact O-CG2 3.29Å; S41-V45 WeakPolarHBondContact O-CG2 3.44Å; S41-V45 PolarHBondContact O-N 2.87Å; L42-V45 PolarHBondContact O-N 2.97Å; S43-V45 PolarHBondContact O-N 3.18Å; V45-G49 WeakPolarHBondContact O-CA 3.45Å; V45-G49 PolarHBondContact O-N 3.1Å; V45-T470 HydrophobicContact CB-CG2 4.24Å; V45-T470 HydrophobicContact CG1-CG2 3.74Å
46T97.9Very high96.6Very high0 Ų042.6 Ų42.60%025%0.247CC..Hα-helixtrans-65.5-45177-570000111.4L42 S43 L44 N50 D78 M86 T470L42-T46 VanDerWaalsContact O-CB 3.3Å; L42-T46 WeakPolarHBondContact O-CB 3.47Å; L42-T46 PolarHBondContact O-N 3Å; L42-T46 PolarHBondContact O-OG1 3.02Å; S43-T46 WeakPolarHBondContact O-CB 3.48Å; S43-T46 PolarHBondContact O-N 3.38Å; S43-T46 VanDerWaalsContact O-N 3.12Å; L44-T46 VanDerWaalsContact C-N 3.34Å; T46-N50 WeakPolarHBondContact O-CB 3.28Å; T46-N50 PolarHBondContact O-N 3.13Å; T46-N50 PolarHBondContact O-ND2 2.85Å; T46-D78 WeakPolarHBondContact CG2-O 3.08Å; T46-M86 HydrophobicContact CG2-CE 4.14Å; T46-M86 WeakPolarHBondContact OG1-CE 3.48Å; T46-T470 WeakPolarHBondContact OG1-CA 3.03Å; T46-T470 WeakPolarHBondContact OG1-CB 3.43Å; T46-T470 WeakPolarHBondContact OG1-CG2 3.42Å; T46-T470 PolarHBondContact OG1-OG1 3.18Å
47I98.3Very high96.5Very high30 Ų3039.7 Ų39.715%0.15423%0.229CC..Hα-helixtrans-62.3-56177.6-67.4160.8000110.4S43 L44 G49 N50 I51 L79 L83S43-I47 WeakPolarHBondContact O-CD1 3.31Å; S43-I47 VanDerWaalsContact O-CG1 3.25Å; S43-I47 WeakPolarHBondContact O-CG1 3.34Å; S43-I47 PolarHBondContact O-N 3.46Å; L44-I47 PolarHBondContact O-N 2.91Å; I47-G49 VanDerWaalsContact C-N 3.34Å; I47-G49 PolarHBondContact O-N 2.77Å; I47-N50 PolarHBondContact O-N 3.08Å; I47-I51 HydrophobicContact CG2-CD1 3.7Å; I47-I51 WeakPolarHBondContact O-CB 3.4Å; I47-I51 VanDerWaalsContact O-CG1 3.26Å; I47-I51 WeakPolarHBondContact O-CG1 3.31Å; I47-I51 PolarHBondContact O-N 3.1Å; I47-L79 HydrophobicContact CB-CD1 4.25Å; I47-L79 HydrophobicContact CG1-CD1 4.3Å; I47-L79 HydrophobicContact CG2-CD1 4.02Å; I47-L83 HydrophobicContact CD1-CD2 3.73Å; I47-L83 HydrophobicContact CD1-CG 4.34Å; I47-L83 HydrophobicContact CG1-CD2 3.9Å; I47-L83 HydrophobicContact CG1-CG 4.08Å; I47-L83 HydrophobicContact CG2-CD2 4.31Å
48I97Very high96.3Very high84 Ų8441.7 Ų41.743%0.43123%0.232SC..Hα-helixtrans-61-44.5-179.4-67.1171.7000110.8L44 L52L44-I48 HydrophobicContact CD1-CD1 3.77Å; L44-I48 HydrophobicContact CD1-CG1 4.22Å; L44-I48 HydrophobicContact CG-CD1 3.85Å; L44-I48 WeakPolarHBondContact O-CB 3.32Å; L44-I48 VanDerWaalsContact O-CG1 3.32Å; L44-I48 WeakPolarHBondContact O-CG1 3.37Å; L44-I48 PolarHBondContact O-N 2.83Å; I48-L52 HydrophobicContact CG2-CD1 3.91Å; I48-L52 HydrophobicContact CG2-CG 4.44Å; I48-L52 WeakPolarHBondContact O-CB 3.4Å; I48-L52 VanDerWaalsContact O-CG 3.29Å; I48-L52 WeakPolarHBondContact O-CG 3.43Å; I48-L52 PolarHBondContact O-N 2.93Å
49G96.7Very high96Very high11 Ų1141 Ų4111%0.11323%0.228CC..Hα-helixtrans-58.5-50.5-179.700000112.4V45 I47 L52 V53 P473V45-G49 WeakPolarHBondContact O-CA 3.45Å; V45-G49 PolarHBondContact O-N 3.1Å; I47-G49 VanDerWaalsContact C-N 3.34Å; I47-G49 PolarHBondContact O-N 2.77Å; G49-L52 PolarHBondContact O-N 3.32Å; G49-V53 WeakPolarHBondContact O-CG2 3.26Å; G49-V53 PolarHBondContact O-N 3.44Å; G49-V53 VanDerWaalsContact O-N 3.15Å; G49-P473 VanDerWaalsContact C-CG 3.5Å
50N97.6Very high95.6Very high0 Ų041.3 Ų41.30%023%0.229CC..Hα-helixtrans-73.8-34.9-177.5-73.9-66.4000112.9T46 I47 L52 V53 M54 A75 D78 L79 S469 P473T46-N50 WeakPolarHBondContact O-CB 3.28Å; T46-N50 PolarHBondContact O-N 3.13Å; T46-N50 PolarHBondContact O-ND2 2.85Å; I47-N50 PolarHBondContact O-N 3.08Å; N50-L52 VanDerWaalsContact C-N 3.32Å; N50-L52 PolarHBondContact O-N 3.31Å; N50-V53 WeakPolarHBondContact O-CB 3.39Å; N50-V53 PolarHBondContact O-N 3.25Å; N50-V53 VanDerWaalsContact O-N 3.16Å; N50-M54 WeakPolarHBondContact O-CG 3.38Å; N50-M54 PolarHBondContact O-N 2.96Å; N50-A75 HydrophobicContact CB-CB 4.28Å; N50-A75 WeakPolarHBondContact OD1-CA 3.38Å; N50-D78 WeakPolarHBondContact ND2-CB 3.33Å; N50-L79 HydrophobicContact CB-CB 4.09Å; N50-S469 PolarHBondContact ND2-O 3.41Å; N50-S469 VanDerWaalsContact ND2-O 3.11Å; N50-P473 HydrophobicContact CB-CG 4.49Å; N50-P473 WeakPolarHBondContact OD1-CG 3.26Å
51I97.1Very high95.1Very high71 Ų7149 Ų4936%0.36425%0.248SC..Hα-helixtrans-58.5-43.6169.3-70.9170.4000110.9I47 V53 M54 L55 L79I47-I51 HydrophobicContact CG2-CD1 3.7Å; I47-I51 WeakPolarHBondContact O-CB 3.4Å; I47-I51 VanDerWaalsContact O-CG1 3.26Å; I47-I51 WeakPolarHBondContact O-CG1 3.31Å; I47-I51 PolarHBondContact O-N 3.1Å; I51-V53 VanDerWaalsContact C-N 3.33Å; I51-V53 PolarHBondContact O-N 3.4Å; I51-M54 PolarHBondContact O-N 2.9Å; I51-L55 HydrophobicContact CG2-CD1 3.73Å; I51-L55 HydrophobicContact CG2-CG 4.14Å; I51-L55 WeakPolarHBondContact O-CB 3.19Å; I51-L55 VanDerWaalsContact O-CG 3.32Å; I51-L55 WeakPolarHBondContact O-CG 3.43Å; I51-L55 PolarHBondContact O-N 3.46Å; I51-L79 HydrophobicContact CD1-CD1 4.24Å; I51-L79 HydrophobicContact CG1-CD1 3.98Å; I51-L79 HydrophobicContact CG1-CD2 4.07Å
52L95.3Very high94.6Very high21 Ų2151.6 Ų51.611%0.1126%0.257CS..Hα-helixtrans-63.3-34.7176.2-74.2169.3000112.9I48 G49 N50 S56 F487 L490 L491I48-L52 HydrophobicContact CG2-CD1 3.91Å; I48-L52 HydrophobicContact CG2-CG 4.44Å; I48-L52 WeakPolarHBondContact O-CB 3.4Å; I48-L52 VanDerWaalsContact O-CG 3.29Å; I48-L52 WeakPolarHBondContact O-CG 3.43Å; I48-L52 PolarHBondContact O-N 2.93Å; G49-L52 PolarHBondContact O-N 3.32Å; N50-L52 VanDerWaalsContact C-N 3.32Å; N50-L52 PolarHBondContact O-N 3.31Å; L52-S56 WeakPolarHBondContact O-CB 3.39Å; L52-S56 PolarHBondContact O-N 3.28Å; L52-S56 PolarHBondContact O-OG 3.25Å; L52-F487 HydrophobicContact CB-CD1 4.29Å; L52-F487 HydrophobicContact CB-CE1 3.94Å; L52-F487 HydrophobicContact CB-CE2 4.21Å; L52-F487 HydrophobicContact CB-CZ 3.9Å; L52-F487 WeakPolarHBondContact O-CE1 3.24Å; L52-L490 HydrophobicContact CD2-CB 4.06Å; L52-L490 HydrophobicContact CD2-CD1 4.12Å; L52-L491 HydrophobicContact CD1-CD2 4.15Å; L52-L491 HydrophobicContact CD1-CG 4.44Å; L52-L491 HydrophobicContact CD2-CD2 4.3Å; L52-L491 HydrophobicContact CD2-CG 4.38Å
53V95.5Very high94.2Very high0 Ų049.8 Ų49.80%025%0.248CC..Hα-helixtrans-63.4-52.9172.4177.30000110.6G49 N50 I51 L55 S56 I57 A75 P473 Y476 F483 F487G49-V53 WeakPolarHBondContact O-CG2 3.26Å; G49-V53 PolarHBondContact O-N 3.44Å; G49-V53 VanDerWaalsContact O-N 3.15Å; N50-V53 WeakPolarHBondContact O-CB 3.39Å; N50-V53 PolarHBondContact O-N 3.25Å; N50-V53 VanDerWaalsContact O-N 3.16Å; I51-V53 VanDerWaalsContact C-N 3.33Å; I51-V53 PolarHBondContact O-N 3.4Å; V53-L55 PolarHBondContact O-N 3.15Å; V53-S56 PolarHBondContact O-N 3.2Å; V53-I57 HydrophobicContact CG1-CD1 3.87Å; V53-I57 WeakPolarHBondContact O-CG1 3.44Å; V53-I57 PolarHBondContact O-N 2.87Å; V53-I57 VanDerWaalsContact O-N 3.13Å; V53-A75 HydrophobicContact CB-CB 4.06Å; V53-A75 HydrophobicContact CG1-CB 3.85Å; V53-P473 HydrophobicContact CG2-CB 3.97Å; V53-P473 HydrophobicContact CG2-CG 4.19Å; V53-Y476 HydrophobicContact CB-CD2 4.47Å; V53-Y476 HydrophobicContact CG1-CD2 3.92Å; V53-Y476 HydrophobicContact CG1-CE2 4.02Å; V53-Y476 HydrophobicContact CG2-CD2 3.62Å; V53-Y476 HydrophobicContact CG2-CE2 4.04Å; V53-F483 HydrophobicContact CG1-CE1 4.16Å; V53-F483 HydrophobicContact CG1-CZ 4.49Å; V53-F487 HydrophobicContact CG2-CE1 4.39Å; V53-F487 HydrophobicContact CG2-CZ 3.82Å
54M96.1Very high93.8Very high42 Ų4253.3 Ų53.321%0.20726%0.264CS..Hα-helixtrans-60.4-47.4-178.4-68.4170.569.100111.8N50 I51 S56 I57 K58 F72 A75 C76 L79N50-M54 WeakPolarHBondContact O-CG 3.38Å; N50-M54 PolarHBondContact O-N 2.96Å; I51-M54 PolarHBondContact O-N 2.9Å; M54-S56 PolarHBondContact O-N 2.94Å; M54-I57 PolarHBondContact O-N 2.89Å; M54-K58 WeakPolarHBondContact O-CB 3.38Å; M54-K58 PolarHBondContact O-N 3.11Å; M54-F72 HydrophobicContact CB-CD2 4.15Å; M54-F72 HydrophobicContact CB-CE2 3.67Å; M54-F72 HydrophobicContact CB-CZ 4.33Å; M54-F72 HydrophobicContact CE-CE1 4.28Å; M54-F72 HydrophobicContact CE-CE2 4.31Å; M54-F72 HydrophobicContact CE-CZ 3.81Å; M54-F72 HydrophobicContact CG-CD2 4.08Å; M54-F72 HydrophobicContact CG-CE2 3.86Å; M54-F72 HydrophobicContact CG-CZ 4.27Å; M54-A75 HydrophobicContact CG-CB 4.01Å; M54-C76 VanDerWaalsContact CE-SG 3.58Å; M54-L79 HydrophobicContact CE-CD2 4.5Å; M54-L79 HydrophobicContact SD-CD2 3.81Å
55L94Very high93.4Very high58 Ų5851.1 Ų51.130%0.30425%0.254SS..Hα-helixtrans-62.8-41.1176-70.6178.2000112I51 V53 I57 K58 V59 L490I51-L55 HydrophobicContact CG2-CD1 3.73Å; I51-L55 HydrophobicContact CG2-CG 4.14Å; I51-L55 WeakPolarHBondContact O-CB 3.19Å; I51-L55 VanDerWaalsContact O-CG 3.32Å; I51-L55 WeakPolarHBondContact O-CG 3.43Å; I51-L55 PolarHBondContact O-N 3.46Å; V53-L55 PolarHBondContact O-N 3.15Å; L55-I57 VanDerWaalsContact C-N 3.32Å; L55-I57 PolarHBondContact O-N 2.99Å; L55-K58 PolarHBondContact O-N 3.26Å; L55-V59 WeakPolarHBondContact O-CB 3.48Å; L55-V59 VanDerWaalsContact O-CG2 3.27Å; L55-V59 WeakPolarHBondContact O-CG2 3.43Å; L55-V59 PolarHBondContact O-N 3.17Å; L55-L490 HydrophobicContact CB-CD1 4.05Å
56S93Very high92.9Very high0 Ų047.9 Ų47.90%024%0.235CC..Hα-helixtrans-59.5-42.4178.3-68.60000112.4L52 V53 M54 N60 T486 F487 L490L52-S56 WeakPolarHBondContact O-CB 3.39Å; L52-S56 PolarHBondContact O-N 3.28Å; L52-S56 PolarHBondContact O-OG 3.25Å; V53-S56 PolarHBondContact O-N 3.2Å; M54-S56 PolarHBondContact O-N 2.94Å; S56-N60 VanDerWaalsContact O-CB 3.28Å; S56-N60 WeakPolarHBondContact O-CB 3.41Å; S56-N60 PolarHBondContact O-N 3.13Å; S56-T486 WeakPolarHBondContact OG-CG2 3.46Å; S56-F487 VanDerWaalsContact OG-CD1 3.24Å; S56-F487 WeakPolarHBondContact OG-CD1 3.35Å; S56-F487 WeakPolarHBondContact OG-CE1 3.47Å; S56-L490 VanDerWaalsContact OG-CD1 3.31Å; S56-L490 WeakPolarHBondContact OG-CD1 3.37Å
57I93.2Very high92.4Very high9 Ų949.5 Ų49.55%0.04624%0.243CC..Hα-helixtrans-71.1-39.5178.3-61161.4000110.6V53 M54 L55 Q64 N68 F72 F483V53-I57 HydrophobicContact CG1-CD1 3.87Å; V53-I57 WeakPolarHBondContact O-CG1 3.44Å; V53-I57 PolarHBondContact O-N 2.87Å; V53-I57 VanDerWaalsContact O-N 3.13Å; M54-I57 PolarHBondContact O-N 2.89Å; L55-I57 VanDerWaalsContact C-N 3.32Å; L55-I57 PolarHBondContact O-N 2.99Å; I57-Q64 WeakPolarHBondContact O-CG 3.39Å; I57-Q64 PolarHBondContact O-NE2 3.3Å; I57-N68 HydrophobicContact CD1-CB 4.29Å; I57-N68 HydrophobicContact CG1-CB 4.34Å; I57-F72 HydrophobicContact CB-CD2 4.28Å; I57-F72 HydrophobicContact CD1-CB 3.96Å; I57-F72 HydrophobicContact CD1-CD2 4.16Å; I57-F72 HydrophobicContact CG2-CD2 4.35Å; I57-F483 HydrophobicContact CD1-CE1 4.26Å; I57-F483 HydrophobicContact CD1-CZ 3.95Å; I57-F483 HydrophobicContact CG1-CE1 3.84Å; I57-F483 HydrophobicContact CG1-CZ 3.7Å
58K91.8Very high92Very high161 Ų16148.6 Ų48.670%0.724%0.239SC*.Hα-helixtrans-68.9-37.4179.6-166.8171-177176.50113M54 L55 Q64M54-K58 WeakPolarHBondContact O-CB 3.38Å; M54-K58 PolarHBondContact O-N 3.11Å; L55-K58 PolarHBondContact O-N 3.26Å; K58-Q64 PolarHBondContact O-NE2 3.41Å
59V89.8Confident91.8Very high44 Ų4449.2 Ų49.227%0.26724%0.236SC..Hα-helixtrans-87.2-44.3-176.2177.70000112.6L55 R61 Y495 I498L55-V59 WeakPolarHBondContact O-CB 3.48Å; L55-V59 VanDerWaalsContact O-CG2 3.27Å; L55-V59 WeakPolarHBondContact O-CG2 3.43Å; L55-V59 PolarHBondContact O-N 3.17Å; V59-R61 PolarHBondContact O-N 3.38Å; V59-Y495 HydrophobicContact CG1-CD1 4.14Å; V59-Y495 HydrophobicContact CG2-CD1 4.22Å; V59-Y495 HydrophobicContact CG2-CE1 4Å; V59-I498 HydrophobicContact CG1-CB 4.21Å; V59-I498 HydrophobicContact CG1-CD1 4.19Å; V59-I498 HydrophobicContact CG1-CG2 3.93Å
60N88.6Confident91.6Very high13 Ų1348.8 Ų48.87%0.0723%0.231CC..  trans-93.1105.3-174-170.7-13.3000111.3S56 N62 L63 T486 I498S56-N60 VanDerWaalsContact O-CB 3.28Å; S56-N60 WeakPolarHBondContact O-CB 3.41Å; S56-N60 PolarHBondContact O-N 3.13Å; N60-N62 PolarHBondContact O-N 3.17Å; N60-N62 VanDerWaalsContact O-N 3.1Å; N60-N62 VanDerWaalsContact OD1-CB 3.29Å; N60-N62 WeakPolarHBondContact OD1-CB 3.46Å; N60-N62 PolarHBondContact OD1-N 3.32Å; N60-N62 PolarHBondContact OD1-ND2 2.98Å; N60-N62 VanDerWaalsContact OD1-ND2 3.08Å; N60-L63 HydrophobicContact CB-CB 4.4Å; N60-L63 HydrophobicContact CB-CD1 4.14Å; N60-L63 HydrophobicContact CB-CG 4.24Å; N60-L63 WeakPolarHBondContact O-CA 3.49Å; N60-L63 WeakPolarHBondContact O-CB 3.43Å; N60-L63 PolarHBondContact O-N 3.42Å; N60-T486 HydrophobicContact CB-CG2 4.03Å; N60-T486 PolarHBondContact ND2-OG1 3.04Å; N60-I498 HydrophobicContact CB-CG2 3.81Å
61R87.2Confident91.4Very high194 Ų19449.8 Ų49.873%0.73224%0.237SC*.G310 helixtrans-56.5-27.1177-73.6-171.4167.7-175.2-3.9113.7V59 L63 Q64V59-R61 PolarHBondContact O-N 3.38Å; R61-L63 PolarHBondContact O-N 3.41Å; R61-Q64 WeakPolarHBondContact O-CB 3.34Å; R61-Q64 PolarHBondContact O-N 3.31Å; R61-Q64 VanDerWaalsContact O-N 3.08Å
62N87.4Confident91.3Very high114 Ų11449.5 Ų49.561%0.6123%0.233SC*.G310 helixtrans-70.2-14.2175-56.4-71.3000113.4N60N60-N62 PolarHBondContact O-N 3.17Å; N60-N62 VanDerWaalsContact O-N 3.1Å; N60-N62 VanDerWaalsContact OD1-CB 3.29Å; N60-N62 WeakPolarHBondContact OD1-CB 3.46Å; N60-N62 PolarHBondContact OD1-N 3.32Å; N60-N62 PolarHBondContact OD1-ND2 2.98Å; N60-N62 VanDerWaalsContact OD1-ND2 3.08Å
63L88.3Confident91.4Very high3 Ų348.8 Ų48.82%0.01623%0.23CC..G310 helixtrans-97.1-2.8171.5-66.9177.2000112.9N60 R61 T65 N68 T482 F483 T486N60-L63 HydrophobicContact CB-CB 4.4Å; N60-L63 HydrophobicContact CB-CD1 4.14Å; N60-L63 HydrophobicContact CB-CG 4.24Å; N60-L63 WeakPolarHBondContact O-CA 3.49Å; N60-L63 WeakPolarHBondContact O-CB 3.43Å; N60-L63 PolarHBondContact O-N 3.42Å; R61-L63 PolarHBondContact O-N 3.41Å; L63-T65 PolarHBondContact O-N 2.68Å; L63-N68 VanDerWaalsContact O-CB 3.29Å; L63-N68 WeakPolarHBondContact O-CB 3.46Å; L63-N68 PolarHBondContact O-ND2 2.87Å; L63-T482 HydrophobicContact CD1-CG2 4.4Å; L63-T482 HydrophobicContact CD2-CG2 3.62Å; L63-T482 HydrophobicContact CG-CG2 3.86Å; L63-F483 HydrophobicContact CD1-CD1 3.85Å; L63-F483 HydrophobicContact CD1-CE1 3.91Å; L63-F483 HydrophobicContact CD1-CG 4.18Å; L63-F483 HydrophobicContact CD1-CZ 4.27Å; L63-F483 HydrophobicContact CD2-CD2 4Å; L63-F483 HydrophobicContact CD2-CE2 3.97Å; L63-F483 HydrophobicContact CD2-CG 4.39Å; L63-F483 HydrophobicContact CD2-CZ 4.35Å; L63-T486 HydrophobicContact CD1-CG2 4.45Å
64Q88.9Confident91.4Very high80 Ų8048.8 Ų48.837%0.37423%0.23SC..  trans-83.354.7-180-66.3177.1-6.200111.8I57 K58 R61I57-Q64 WeakPolarHBondContact O-CG 3.39Å; I57-Q64 PolarHBondContact O-NE2 3.3Å; K58-Q64 PolarHBondContact O-NE2 3.41Å; R61-Q64 WeakPolarHBondContact O-CB 3.34Å; R61-Q64 PolarHBondContact O-N 3.31Å; R61-Q64 VanDerWaalsContact O-N 3.08Å
65T89.6Confident91.4Very high54 Ų5446.8 Ų46.833%0.33122%0.22SC..SBendtrans-102.7151.1176.4750000110.4L63 N67 N68 Y69L63-T65 PolarHBondContact O-N 2.68Å; T65-N67 PolarHBondContact O-N 2.81Å; T65-N67 VanDerWaalsContact O-N 3.1Å; T65-N68 WeakPolarHBondContact O-CB 3.38Å; T65-N68 PolarHBondContact O-N 2.66Å; T65-Y69 PolarHBondContact O-N 3.01Å
66V88.4Confident91.6Very high17 Ų1745.5 Ų45.510%0.10322%0.215CC..Hα-helixtrans-50.5-40.6-179-178.90000112.7N68 Y69 F70 R144 T146 A149V66-N68 PolarHBondContact O-N 3.03Å; V66-N68 VanDerWaalsContact O-N 3.1Å; V66-Y69 WeakPolarHBondContact O-CB 3.26Å; V66-Y69 PolarHBondContact O-N 3.26Å; V66-Y69 VanDerWaalsContact O-N 3.08Å; V66-F70 HydrophobicContact CG1-CE2 4.26Å; V66-R144 HydrophobicContact CG1-CG 4.02Å; V66-T146 HydrophobicContact CG2-CG2 4.03Å; V66-A149 HydrophobicContact CG1-CB 3.51Å
67N85.9Confident91.9Very high34 Ų3445.5 Ų45.518%0.18222%0.215CC..Hα-helixtrans-48-40.6174.2-48.9-30.2000113.4T65 R130 R144T65-N67 PolarHBondContact O-N 2.81Å; T65-N67 VanDerWaalsContact O-N 3.1Å; N67-R130 VanDerWaalsContact CG-NH1 3.31Å; N67-R130 PolarHBondContact ND2-NH2 2.92Å; N67-R130 PolarHBondContact OD1-NH1 2.94Å; N67-R130 PolarHBondContact OD1-NH2 3.43Å; N67-R144 PolarHBondContact OD1-NH1 3.49Å; N67-R144 PolarHBondContact OD1-NH2 2.98Å
68N91.1Very high92.1Very high10 Ų1045 Ų455%0.05321%0.213CC..Hα-helixtrans-89.6-11.2-170.9-62.4-1000111.6I57 L63 T65 V66 F70 L71 F72I57-N68 HydrophobicContact CD1-CB 4.29Å; I57-N68 HydrophobicContact CG1-CB 4.34Å; L63-N68 VanDerWaalsContact O-CB 3.29Å; L63-N68 WeakPolarHBondContact O-CB 3.46Å; L63-N68 PolarHBondContact O-ND2 2.87Å; T65-N68 WeakPolarHBondContact O-CB 3.38Å; T65-N68 PolarHBondContact O-N 2.66Å; V66-N68 PolarHBondContact O-N 3.03Å; V66-N68 VanDerWaalsContact O-N 3.1Å; N68-F70 VanDerWaalsContact C-N 3.32Å; N68-L71 PolarHBondContact O-N 3.16Å; N68-F72 WeakPolarHBondContact O-CB 3.3Å; N68-F72 PolarHBondContact O-N 2.96Å
69Y93.3Very high92.4Very high97 Ų9738.5 Ų38.538%0.3819%0.186SC..Hα-helixtrans-65.8-38.6165.6-81.7-104.2000110.4T65 V66 F72 S73 T146 I153T65-Y69 PolarHBondContact O-N 3.01Å; V66-Y69 WeakPolarHBondContact O-CB 3.26Å; V66-Y69 PolarHBondContact O-N 3.26Å; V66-Y69 VanDerWaalsContact O-N 3.08Å; Y69-F72 WeakPolarHBondContact O-CB 3.39Å; Y69-F72 PolarHBondContact O-N 3.17Å; Y69-S73 PolarHBondContact O-N 2.93Å; Y69-T146 HydrophobicContact CD2-CG2 4.49Å; Y69-T146 HydrophobicContact CE2-CG2 3.95Å; Y69-I153 WeakPolarHBondContact O-CD1 3.2Å
70F92.4Very high92.8Very high2 Ų238.8 Ų38.81%0.00919%0.185CC..Hα-helixtrans-66-40.1172.6-53.9-53.3000112.1V66 N68 F72 S73 L74 I125 I126 D129 A149 M152 I153V66-F70 HydrophobicContact CG1-CE2 4.26Å; N68-F70 VanDerWaalsContact C-N 3.32Å; F70-F72 VanDerWaalsContact C-N 3.3Å; F70-F72 PolarHBondContact O-N 3.12Å; F70-S73 PolarHBondContact O-N 3.32Å; F70-L74 WeakPolarHBondContact O-CB 3.48Å; F70-L74 PolarHBondContact O-N 3.06Å; F70-I125 HydrophobicContact CD1-CG2 3.56Å; F70-I125 HydrophobicContact CD2-CG2 4.41Å; F70-I125 HydrophobicContact CE1-CG2 3.34Å; F70-I125 HydrophobicContact CE2-CG2 4.22Å; F70-I125 HydrophobicContact CG-CG2 4.12Å; F70-I125 HydrophobicContact CZ-CG2 3.7Å; F70-I126 HydrophobicContact CB-CD1 3.97Å; F70-I126 HydrophobicContact CB-CG1 3.58Å; F70-I126 HydrophobicContact CD2-CG1 4.46Å; F70-I126 HydrophobicContact CG-CG1 4.25Å; F70-D129 HydrophobicContact CE2-CB 4.21Å; F70-A149 HydrophobicContact CE1-CB 3.64Å; F70-A149 HydrophobicContact CE2-CB 4.34Å; F70-A149 HydrophobicContact CZ-CB 3.51Å; F70-M152 HydrophobicContact CE1-CB 4.34Å; F70-M152 HydrophobicContact CZ-SD 4.35Å; F70-I153 HydrophobicContact CD1-CD1 3.83Å; F70-I153 HydrophobicContact CD1-CG1 3.76Å; F70-I153 HydrophobicContact CE1-CD1 4.27Å; F70-I153 HydrophobicContact CE1-CG1 4.12Å
71L92.5Very high93.3Very high21 Ų2138.3 Ų38.311%0.1118%0.182CC..Hα-helixtrans-67.1-29.9173.4-57.2-176.4000112.9N68 A75 I126 Y476 F483N68-L71 PolarHBondContact O-N 3.16Å; L71-A75 VanDerWaalsContact O-CB 3.28Å; L71-A75 WeakPolarHBondContact O-CB 3.41Å; L71-A75 PolarHBondContact O-N 3.27Å; L71-I126 HydrophobicContact CD2-CD1 3.99Å; L71-Y476 HydrophobicContact CD1-CD1 4.35Å; L71-Y476 HydrophobicContact CD1-CE1 4.44Å; L71-Y476 HydrophobicContact CD2-CD1 4.45Å; L71-Y476 HydrophobicContact CD2-CE1 3.77Å; L71-F483 HydrophobicContact CD1-CE2 4.35Å
72F95.8Very high93.8Very high66 Ų6629.1 Ų29.129%0.28915%0.148SC..Hα-helixtrans-69.2-44.4173.2-172.1-83.9000111.1M54 I57 N68 Y69 F70 A75 C76M54-F72 HydrophobicContact CB-CD2 4.15Å; M54-F72 HydrophobicContact CB-CE2 3.67Å; M54-F72 HydrophobicContact CB-CZ 4.33Å; M54-F72 HydrophobicContact CE-CE1 4.28Å; M54-F72 HydrophobicContact CE-CE2 4.31Å; M54-F72 HydrophobicContact CE-CZ 3.81Å; M54-F72 HydrophobicContact CG-CD2 4.08Å; M54-F72 HydrophobicContact CG-CE2 3.86Å; M54-F72 HydrophobicContact CG-CZ 4.27Å; I57-F72 HydrophobicContact CB-CD2 4.28Å; I57-F72 HydrophobicContact CD1-CB 3.96Å; I57-F72 HydrophobicContact CD1-CD2 4.16Å; I57-F72 HydrophobicContact CG2-CD2 4.35Å; N68-F72 WeakPolarHBondContact O-CB 3.3Å; N68-F72 PolarHBondContact O-N 2.96Å; Y69-F72 WeakPolarHBondContact O-CB 3.39Å; Y69-F72 PolarHBondContact O-N 3.17Å; F70-F72 VanDerWaalsContact C-N 3.3Å; F70-F72 PolarHBondContact O-N 3.12Å; F72-A75 PolarHBondContact O-N 3.35Å; F72-C76 VanDerWaalsContact CE1-SG 3.53Å; F72-C76 PolarHBondContact O-N 2.95Å; F72-C76 PolarHBondContact O-SG 2.72Å
73S96.9Very high94.3Very high6 Ų627.9 Ų27.94%0.04214%0.141CC..Hα-helixtrans-58.6-47.1174.1178.30000111.9Y69 F70 C76 A77 N122 I153 W157Y69-S73 PolarHBondContact O-N 2.93Å; F70-S73 PolarHBondContact O-N 3.32Å; S73-C76 WeakPolarHBondContact O-CB 3.39Å; S73-C76 PolarHBondContact O-N 3.41Å; S73-A77 PolarHBondContact O-N 3.13Å; S73-A77 VanDerWaalsContact O-N 3.14Å; S73-N122 VanDerWaalsContact CB-OD1 3.26Å; S73-N122 WeakPolarHBondContact CB-OD1 3.44Å; S73-N122 VanDerWaalsContact OG-CG 3.27Å; S73-N122 PolarHBondContact OG-ND2 2.84Å; S73-N122 VanDerWaalsContact OG-ND2 3.13Å; S73-N122 PolarHBondContact OG-OD1 3.46Å; S73-I153 WeakPolarHBondContact OG-CG2 3.25Å; S73-W157 PolarHBondContact OG-NE1 3.09Å; S73-W157 VanDerWaalsContact OG-NE1 3.15Å
74L95.1Very high94.7Very high0 Ų029.9 Ų29.90%016%0.155CC..Hα-helixtrans-62.4-44.1175.8-176.852.4000111.8F70 C76 A77 D78 S119 N122 L123 I126 Y476F70-L74 WeakPolarHBondContact O-CB 3.48Å; F70-L74 PolarHBondContact O-N 3.06Å; L74-C76 VanDerWaalsContact C-N 3.28Å; L74-C76 PolarHBondContact O-N 3.15Å; L74-A77 PolarHBondContact O-N 2.98Å; L74-A77 VanDerWaalsContact O-N 3.14Å; L74-D78 WeakPolarHBondContact O-CB 3.4Å; L74-D78 VanDerWaalsContact O-CG 3.29Å; L74-D78 PolarHBondContact O-N 3.17Å; L74-S119 WeakPolarHBondContact CD1-OG 3.45Å; L74-N122 HydrophobicContact CB-CB 4.48Å; L74-L123 HydrophobicContact CD2-CD2 3.76Å; L74-L123 HydrophobicContact CD2-CG 4.38Å; L74-I126 HydrophobicContact CD2-CD1 4.37Å; L74-Y476 VanDerWaalsContact CD2-OH 3.31Å; L74-Y476 WeakPolarHBondContact CD2-OH 3.37Å
75A97.1Very high95.1Very high0 Ų026.1 Ų26.10%014%0.137CC..Hα-helixtrans-64.4-28.1174.800000113.8N50 V53 M54 L71 F72 L79N50-A75 HydrophobicContact CB-CB 4.28Å; N50-A75 WeakPolarHBondContact OD1-CA 3.38Å; V53-A75 HydrophobicContact CB-CB 4.06Å; V53-A75 HydrophobicContact CG1-CB 3.85Å; M54-A75 HydrophobicContact CG-CB 4.01Å; L71-A75 VanDerWaalsContact O-CB 3.28Å; L71-A75 WeakPolarHBondContact O-CB 3.41Å; L71-A75 PolarHBondContact O-N 3.27Å; F72-A75 PolarHBondContact O-N 3.35Å; A75-L79 WeakPolarHBondContact O-CB 3.5Å; A75-L79 PolarHBondContact O-N 3.47Å
76C98.1Very high95.5Very high30 Ų3023.5 Ų23.520%0.20312%0.121CC..Hα-helixtrans-68.3-42.5171.7-64.90000111.3M54 F72 S73 L74 L79 I80M54-C76 VanDerWaalsContact CE-SG 3.58Å; F72-C76 VanDerWaalsContact CE1-SG 3.53Å; F72-C76 PolarHBondContact O-N 2.95Å; F72-C76 PolarHBondContact O-SG 2.72Å; S73-C76 WeakPolarHBondContact O-CB 3.39Å; S73-C76 PolarHBondContact O-N 3.41Å; L74-C76 VanDerWaalsContact C-N 3.28Å; L74-C76 PolarHBondContact O-N 3.15Å; C76-L79 PolarHBondContact O-N 2.77Å; C76-I80 WeakPolarHBondContact O-CD1 3.4Å; C76-I80 WeakPolarHBondContact O-CG1 3.17Å; C76-I80 PolarHBondContact O-N 3.06Å
77A97.9Very high95.9Very high0 Ų025.3 Ų25.30%013%0.13CC..Hα-helixtrans-65.2-50.6175.900000111.4S73 L74 L79 I80 I81 V115 S119 W157S73-A77 PolarHBondContact O-N 3.13Å; S73-A77 VanDerWaalsContact O-N 3.14Å; L74-A77 PolarHBondContact O-N 2.98Å; L74-A77 VanDerWaalsContact O-N 3.14Å; A77-L79 PolarHBondContact O-N 3.36Å; A77-I80 PolarHBondContact O-N 3.47Å; A77-I81 PolarHBondContact O-N 2.8Å; A77-V115 HydrophobicContact CB-CG1 3.74Å; A77-V115 VanDerWaalsContact O-CG1 3.29Å; A77-V115 WeakPolarHBondContact O-CG1 3.13Å; A77-S119 WeakPolarHBondContact CB-OG 3.32Å; A77-W157 HydrophobicContact CB-CH2 3.8Å; A77-W157 HydrophobicContact CB-CZ2 3.83Å
78D97.8Very high96.5Very high0 Ų025.7 Ų25.70%013%0.132CC..Hα-helixtrans-58.2-33.4177.3-69.6-27.9000112.7T46 N50 L74 G82 S469 N472T46-D78 WeakPolarHBondContact CG2-O 3.08Å; N50-D78 WeakPolarHBondContact ND2-CB 3.33Å; L74-D78 WeakPolarHBondContact O-CB 3.4Å; L74-D78 VanDerWaalsContact O-CG 3.29Å; L74-D78 PolarHBondContact O-N 3.17Å; D78-G82 PolarHBondContact O-N 3.09Å; D78-S469 WeakPolarHBondContact OD1-CA 3.42Å; D78-S469 VanDerWaalsContact OD1-CB 3.22Å; D78-S469 WeakPolarHBondContact OD1-CB 3.46Å; D78-S469 PolarHBondContact OD1-OG 3Å; D78-N472 WeakPolarHBondContact OD2-CB 3.5Å; D78-N472 PolarHBondContact OD2-ND2 3.15Å
79L98.3Very high96.8Very high24 Ų2426 Ų2613%0.12613%0.133CC..Hα-helixtrans-68.7-37.8173.3178.859.9000112.5I47 N50 I51 M54 A75 C76 A77 G82 L83I47-L79 HydrophobicContact CB-CD1 4.25Å; I47-L79 HydrophobicContact CG1-CD1 4.3Å; I47-L79 HydrophobicContact CG2-CD1 4.02Å; N50-L79 HydrophobicContact CB-CB 4.09Å; I51-L79 HydrophobicContact CD1-CD1 4.24Å; I51-L79 HydrophobicContact CG1-CD1 3.98Å; I51-L79 HydrophobicContact CG1-CD2 4.07Å; M54-L79 HydrophobicContact CE-CD2 4.5Å; M54-L79 HydrophobicContact SD-CD2 3.81Å; A75-L79 WeakPolarHBondContact O-CB 3.5Å; A75-L79 PolarHBondContact O-N 3.47Å; C76-L79 PolarHBondContact O-N 2.77Å; A77-L79 PolarHBondContact O-N 3.36Å; L79-G82 PolarHBondContact O-N 2.9Å; L79-L83 HydrophobicContact CD1-CD1 3.91Å; L79-L83 HydrophobicContact CD1-CG 4.05Å; L79-L83 HydrophobicContact CG-CD1 3.88Å; L79-L83 HydrophobicContact CG-CG 4.44Å; L79-L83 WeakPolarHBondContact O-CB 3.29Å; L79-L83 VanDerWaalsContact O-CG 3.3Å; L79-L83 WeakPolarHBondContact O-CG 3.43Å; L79-L83 PolarHBondContact O-N 3.35Å
80I98.4Very high97Very high49 Ų4922.1 Ų22.125%0.25112%0.119SC..Hα-helixtrans-69.4-40176.8-65.3160.8000110.7C76 A77 G82 L83 C84 L111 V115 W157C76-I80 WeakPolarHBondContact O-CD1 3.4Å; C76-I80 WeakPolarHBondContact O-CG1 3.17Å; C76-I80 PolarHBondContact O-N 3.06Å; A77-I80 PolarHBondContact O-N 3.47Å; I80-G82 VanDerWaalsContact C-N 3.33Å; I80-G82 PolarHBondContact O-N 3.35Å; I80-L83 PolarHBondContact O-N 3.49Å; I80-C84 WeakPolarHBondContact O-CB 3.45Å; I80-C84 PolarHBondContact O-N 3.09Å; I80-L111 HydrophobicContact CG2-CD1 4.07Å; I80-L111 HydrophobicContact CG2-CD2 3.83Å; I80-L111 HydrophobicContact CG2-CG 4.1Å; I80-V115 HydrophobicContact CB-CG1 4.19Å; I80-V115 HydrophobicContact CB-CG2 4.28Å; I80-V115 HydrophobicContact CD1-CG2 4.33Å; I80-V115 HydrophobicContact CG2-CG1 4.37Å; I80-V115 HydrophobicContact CG2-CG2 3.77Å; I80-W157 HydrophobicContact CD1-CH2 4.11Å
81I98.3Very high97.1Very high4 Ų424.6 Ų24.62%0.02113%0.134CC..Iπ-helixtrans-58.4-45.8171.6-61.1-59.4000110.7A77 S85 M86 D112 V115 Y466A77-I81 PolarHBondContact O-N 2.8Å; I81-S85 WeakPolarHBondContact O-CB 3.32Å; I81-S85 PolarHBondContact O-N 3.43Å; I81-M86 HydrophobicContact CG2-CE 4.42Å; I81-M86 HydrophobicContact CG2-CG 4.36Å; I81-M86 WeakPolarHBondContact O-CG 3.44Å; I81-M86 PolarHBondContact O-N 3.38Å; I81-D112 VanDerWaalsContact CD1-OD1 3.26Å; I81-D112 WeakPolarHBondContact CD1-OD1 3.25Å; I81-V115 HydrophobicContact CD1-CB 4.11Å; I81-V115 HydrophobicContact CD1-CG1 3.66Å; I81-V115 HydrophobicContact CG1-CG1 3.77Å; I81-Y466 HydrophobicContact CG2-CD1 3.63Å; I81-Y466 HydrophobicContact CG2-CE1 4.19Å; I81-Y466 HydrophobicContact CG2-CG 4.04Å
82G97.8Very high97.2Very high0 Ų026.2 Ų26.20%014%0.139CC..Iπ-helixtrans-65.8-37.7178.200000114.4S43 D78 L79 I80 N87S43-G82 PolarHBondContact OG-O 3.21Å; D78-G82 PolarHBondContact O-N 3.09Å; L79-G82 PolarHBondContact O-N 2.9Å; I80-G82 VanDerWaalsContact C-N 3.33Å; I80-G82 PolarHBondContact O-N 3.35Å; G82-N87 PolarHBondContact O-ND2 2.89Å; G82-N87 VanDerWaalsContact O-ND2 3.08Å
83L97.8Very high97.1Very high88 Ų8823.7 Ų23.746%0.46113%0.128SC..Iπ-helixtrans-78.8-46.5-179.5-74.3169.6000113.3I47 L79 I80 N87I47-L83 HydrophobicContact CD1-CD2 3.73Å; I47-L83 HydrophobicContact CD1-CG 4.34Å; I47-L83 HydrophobicContact CG1-CD2 3.9Å; I47-L83 HydrophobicContact CG1-CG 4.08Å; I47-L83 HydrophobicContact CG2-CD2 4.31Å; L79-L83 HydrophobicContact CD1-CD1 3.91Å; L79-L83 HydrophobicContact CD1-CG 4.05Å; L79-L83 HydrophobicContact CG-CD1 3.88Å; L79-L83 HydrophobicContact CG-CG 4.44Å; L79-L83 WeakPolarHBondContact O-CB 3.29Å; L79-L83 VanDerWaalsContact O-CG 3.3Å; L79-L83 WeakPolarHBondContact O-CG 3.43Å; L79-L83 PolarHBondContact O-N 3.35Å; I80-L83 PolarHBondContact O-N 3.49Å; L83-N87 PolarHBondContact O-ND2 3.15Å
84C97.4Very high96.9Very high46 Ų4624.7 Ų24.731%0.31113%0.134SC..Iπ-helixtrans-102.2-65.9-171.8-59.60000110.9I80 M86 N87 L88 L111I80-C84 WeakPolarHBondContact O-CB 3.45Å; I80-C84 PolarHBondContact O-N 3.09Å; C84-M86 PolarHBondContact O-N 3.14Å; C84-N87 PolarHBondContact O-N 2.67Å; C84-L88 HydrophobicContact CB-CD1 4.41Å; C84-L88 WeakPolarHBondContact O-CB 3.47Å; C84-L88 WeakPolarHBondContact O-CG 3.18Å; C84-L88 PolarHBondContact O-N 3.4Å; C84-L111 HydrophobicContact CB-CD2 3.72Å
85S97.6Very high96.7Very high0 Ų027.6 Ų27.60%015%0.149CC..Iπ-helixtrans-60.4-50.7-166.4-54.20000113.5I81 N87 Y89 D112 Y466I81-S85 WeakPolarHBondContact O-CB 3.32Å; I81-S85 PolarHBondContact O-N 3.43Å; S85-N87 VanDerWaalsContact C-N 3.31Å; S85-N87 PolarHBondContact O-N 2.94Å; S85-Y89 VanDerWaalsContact O-CB 3.24Å; S85-Y89 WeakPolarHBondContact O-CB 3.33Å; S85-Y89 PolarHBondContact O-N 3.44Å; S85-D112 WeakPolarHBondContact CB-OD1 3.49Å; S85-D112 PolarHBondContact OG-OD1 2.86Å; S85-Y466 WeakPolarHBondContact CB-OH 3.47Å
86M97.8Very high96.4Very high0 Ų029.6 Ų29.60%017%0.17CC..Hα-helixtrans-56.2-44177.6-75.5-176.1176.900112.2T46 I81 C84 T90 W463 Y466T46-M86 HydrophobicContact CG2-CE 4.14Å; T46-M86 WeakPolarHBondContact OG1-CE 3.48Å; I81-M86 HydrophobicContact CG2-CE 4.42Å; I81-M86 HydrophobicContact CG2-CG 4.36Å; I81-M86 WeakPolarHBondContact O-CG 3.44Å; I81-M86 PolarHBondContact O-N 3.38Å; C84-M86 PolarHBondContact O-N 3.14Å; M86-T90 PolarHBondContact O-N 2.89Å; M86-T90 PolarHBondContact O-OG1 2.86Å; M86-W463 HydrophobicContact CB-CH2 3.72Å; M86-W463 HydrophobicContact CB-CZ3 3.99Å; M86-W463 HydrophobicContact CG-CH2 4Å; M86-W463 HydrophobicContact CG-CZ3 3.72Å; M86-W463 WeakPolarHBondContact O-CH2 3.5Å; M86-W463 WeakPolarHBondContact O-CZ2 3.3Å; M86-W463 HydrophobicContact SD-CZ3 4.2Å; M86-Y466 HydrophobicContact CB-CD2 4.49Å; M86-Y466 VanDerWaalsContact CE-O 3.22Å; M86-Y466 WeakPolarHBondContact CE-O 3.41Å; M86-Y466 HydrophobicContact CG-CD2 3.82Å; M86-Y466 HydrophobicContact CG-CE2 4.5Å; M86-Y466 HydrophobicContact CG-CG 4.11Å
87N97.6Very high96.1Very high55 Ų5532.5 Ų32.529%0.29418%0.177SC..Hα-helixtrans-76.7-43.3-174.4-59.3-51.7000111.6S43 G82 L83 C84 S85 Y89 T90 V91S43-N87 WeakPolarHBondContact CB-OD1 3.41Å; S43-N87 PolarHBondContact OG-ND2 3.45Å; S43-N87 VanDerWaalsContact OG-ND2 3.15Å; S43-N87 PolarHBondContact OG-OD1 3.31Å; G82-N87 PolarHBondContact O-ND2 2.89Å; G82-N87 VanDerWaalsContact O-ND2 3.08Å; L83-N87 PolarHBondContact O-ND2 3.15Å; C84-N87 PolarHBondContact O-N 2.67Å; S85-N87 VanDerWaalsContact C-N 3.31Å; S85-N87 PolarHBondContact O-N 2.94Å; N87-Y89 VanDerWaalsContact C-N 3.33Å; N87-Y89 PolarHBondContact O-N 3.01Å; N87-T90 WeakPolarHBondContact O-CB 3.34Å; N87-T90 PolarHBondContact O-N 3.49Å; N87-V91 WeakPolarHBondContact O-CG2 3.35Å; N87-V91 PolarHBondContact O-N 3.5Å
88L97.7Very high96Very high42 Ų4232.8 Ų32.822%0.2218%0.178CC..Hα-helixtrans-63.3-38.8175.7-68.3169.2000112C84 V91 Y92 W98 L100 W108C84-L88 HydrophobicContact CB-CD1 4.41Å; C84-L88 WeakPolarHBondContact O-CB 3.47Å; C84-L88 WeakPolarHBondContact O-CG 3.18Å; C84-L88 PolarHBondContact O-N 3.4Å; L88-V91 PolarHBondContact O-N 3.19Å; L88-Y92 PolarHBondContact O-N 2.97Å; L88-Y92 VanDerWaalsContact O-N 3.13Å; L88-W98 HydrophobicContact CB-CH2 4.42Å; L88-W98 HydrophobicContact CD2-CH2 4.47Å; L88-L100 HydrophobicContact CD2-CD1 3.6Å; L88-W108 HydrophobicContact CB-CD2 4.4Å; L88-W108 HydrophobicContact CB-CG 4.23Å; L88-W108 HydrophobicContact CD1-CB 4.01Å; L88-W108 HydrophobicContact CD1-CG 3.87Å
89Y97.5Very high95.9Very high17 Ų1735.4 Ų35.47%0.06720%0.196CC..Hα-helixtrans-70.3-34.5174.9-164.2-131.2000112.5S85 N87 V91 Y92 I93 W108 T459 Y462 W463 Y466S85-Y89 VanDerWaalsContact O-CB 3.24Å; S85-Y89 WeakPolarHBondContact O-CB 3.33Å; S85-Y89 PolarHBondContact O-N 3.44Å; N87-Y89 VanDerWaalsContact C-N 3.33Å; N87-Y89 PolarHBondContact O-N 3.01Å; Y89-V91 VanDerWaalsContact C-N 3.33Å; Y89-V91 PolarHBondContact O-N 3Å; Y89-Y92 HydrophobicContact CD2-CD1 4.16Å; Y89-Y92 HydrophobicContact CE2-CD1 4.04Å; Y89-Y92 PolarHBondContact O-N 3.38Å; Y89-I93 HydrophobicContact CD1-CD1 3.7Å; Y89-I93 HydrophobicContact CD2-CD1 4.43Å; Y89-I93 HydrophobicContact CE1-CD1 3.67Å; Y89-I93 HydrophobicContact CE1-CG1 4.5Å; Y89-I93 HydrophobicContact CE2-CD1 4.42Å; Y89-I93 HydrophobicContact CE2-CG1 4.46Å; Y89-I93 HydrophobicContact CG-CD1 4.09Å; Y89-I93 VanDerWaalsContact O-CD1 3.28Å; Y89-I93 WeakPolarHBondContact O-CD1 3.28Å; Y89-I93 VanDerWaalsContact O-CG1 3.25Å; Y89-I93 WeakPolarHBondContact O-CG1 3.29Å; Y89-I93 PolarHBondContact O-N 3.5Å; Y89-I93 VanDerWaalsContact O-N 3.09Å; Y89-W108 AromaticContact CD2-CH2 3.65Å; Y89-W108 HydrophobicContact CD2-CH2 3.65Å; Y89-W108 AromaticContact CD2-CZ2 3.78Å; Y89-W108 HydrophobicContact CD2-CZ2 3.78Å; Y89-W108 HydrophobicContact CE2-CH2 4.32Å; Y89-W108 HydrophobicContact CG-CZ2 4.22Å; Y89-T459 HydrophobicContact CE1-CG2 4.47Å; Y89-T459 WeakPolarHBondContact OH-CA 3.48Å; Y89-Y462 HydrophobicContact CD1-CD1 4.23Å; Y89-Y462 AromaticContact CE1-CD1 3.89Å; Y89-Y462 HydrophobicContact CE1-CD1 3.89Å; Y89-Y462 HydrophobicContact CE1-CG 4Å; Y89-Y462 AromaticContact CZ-CG 3.94Å; Y89-Y462 WeakPolarHBondContact OH-CB 3.48Å; Y89-W463 AromaticContact CD1-CD1 3.76Å; Y89-W463 AromaticContact CD1-CE2 3.91Å; Y89-W463 HydrophobicContact CD1-CG 4.42Å; Y89-W463 HydrophobicContact CD1-CZ2 4.44Å; Y89-W463 AromaticContact CD1-NE1 3.4Å; Y89-W463 AromaticContact CE1-CD1 3.59Å; Y89-W463 HydrophobicContact CE1-CG 4.39Å; Y89-W463 AromaticContact CE1-NE1 3.69Å; Y89-Y466 HydrophobicContact CD1-CD2 4.41Å; Y89-Y466 AromaticContact CD1-CE2 3.75Å; Y89-Y466 HydrophobicContact CD1-CE2 3.75Å; Y89-Y466 HydrophobicContact CG-CE2 4.06Å
90T96.3Very high95.8Very high15 Ų1537.8 Ų37.89%0.09221%0.208CC..Hα-helixtrans-58.3-46.5170.8-53.10000111A39 M86 N87 Y92 I93 V94 W463A39-T90 HydrophobicContact CB-CG2 3.92Å; A39-T90 WeakPolarHBondContact CB-OG1 3.44Å; M86-T90 PolarHBondContact O-N 2.89Å; M86-T90 PolarHBondContact O-OG1 2.86Å; N87-T90 WeakPolarHBondContact O-CB 3.34Å; N87-T90 PolarHBondContact O-N 3.49Å; T90-Y92 PolarHBondContact O-N 3.41Å; T90-I93 PolarHBondContact O-N 3.15Å; T90-V94 HydrophobicContact CG2-CG2 4.11Å; T90-V94 WeakPolarHBondContact O-CB 3.45Å; T90-V94 WeakPolarHBondContact O-CG2 3.39Å; T90-V94 PolarHBondContact O-N 3.02Å; T90-W463 VanDerWaalsContact OG1-CZ2 3.28Å; T90-W463 WeakPolarHBondContact OG1-CZ2 3.49Å
91V95.1Very high95.7Very high54 Ų5436.7 Ų36.733%0.32721%0.209SC..Hα-helixtrans-58.1-47.9178.5170.40000110.8N87 L88 Y89 I93 V94 I95 P99N87-V91 WeakPolarHBondContact O-CG2 3.35Å; N87-V91 PolarHBondContact O-N 3.5Å; L88-V91 PolarHBondContact O-N 3.19Å; Y89-V91 VanDerWaalsContact C-N 3.33Å; Y89-V91 PolarHBondContact O-N 3Å; V91-I93 PolarHBondContact O-N 2.92Å; V91-V94 PolarHBondContact O-N 3.32Å; V91-I95 HydrophobicContact CG1-CD1 3.74Å; V91-I95 WeakPolarHBondContact O-CB 3.23Å; V91-I95 WeakPolarHBondContact O-CG1 3.19Å; V91-I95 PolarHBondContact O-N 2.96Å; V91-P99 HydrophobicContact CG1-CG 4.11Å
92Y95.2Very high95.5Very high54 Ų5439.5 Ų39.521%0.21223%0.227CC..Hα-helixtrans-58.5-44.9177.9-176.5-127.9000113.1L88 Y89 T90 G96 W98L88-Y92 PolarHBondContact O-N 2.97Å; L88-Y92 VanDerWaalsContact O-N 3.13Å; Y89-Y92 HydrophobicContact CD2-CD1 4.16Å; Y89-Y92 HydrophobicContact CE2-CD1 4.04Å; Y89-Y92 PolarHBondContact O-N 3.38Å; T90-Y92 PolarHBondContact O-N 3.41Å; Y92-G96 PolarHBondContact O-N 3.23Å; Y92-W98 HydrophobicContact CD2-CB 3.88Å; Y92-W98 HydrophobicContact CD2-CE3 4.01Å; Y92-W98 HydrophobicContact CE2-CB 3.92Å; Y92-W98 HydrophobicContact CG-CE3 4.24Å
93I93.3Very high95.4Very high14 Ų1444.4 Ų44.47%0.07226%0.257CS..Hα-helixtrans-68.8-44.5-179.1-64.9157.9000111.7Y27 Y89 T90 V91 G96 T459Y27-I93 HydrophobicContact CE2-CG2 3.61Å; Y89-I93 HydrophobicContact CD1-CD1 3.7Å; Y89-I93 HydrophobicContact CD2-CD1 4.43Å; Y89-I93 HydrophobicContact CE1-CD1 3.67Å; Y89-I93 HydrophobicContact CE1-CG1 4.5Å; Y89-I93 HydrophobicContact CE2-CD1 4.42Å; Y89-I93 HydrophobicContact CE2-CG1 4.46Å; Y89-I93 HydrophobicContact CG-CD1 4.09Å; Y89-I93 VanDerWaalsContact O-CD1 3.28Å; Y89-I93 WeakPolarHBondContact O-CD1 3.28Å; Y89-I93 VanDerWaalsContact O-CG1 3.25Å; Y89-I93 WeakPolarHBondContact O-CG1 3.29Å; Y89-I93 PolarHBondContact O-N 3.5Å; Y89-I93 VanDerWaalsContact O-N 3.09Å; T90-I93 PolarHBondContact O-N 3.15Å; V91-I93 PolarHBondContact O-N 2.92Å; I93-G96 PolarHBondContact O-N 2.98Å; I93-T459 HydrophobicContact CD1-CG2 3.44Å; I93-T459 VanDerWaalsContact CD1-CG2 3.44Å; I93-T459 HydrophobicContact CG1-CG2 3.79Å; I93-T459 HydrophobicContact CG2-CG2 4.29Å
94V92.6Very high95.4Very high27 Ų2743 Ų4316%0.16425%0.252CS..Hα-helixtrans-71.4-37.3-174.6166.10000111.8S25 V32 I35 V36 T90 V91S25-V94 WeakPolarHBondContact CB-O 3.31Å; S25-V94 PolarHBondContact OG-O 3Å; V32-V94 HydrophobicContact CG1-CG1 3.67Å; I35-V94 HydrophobicContact CG2-CG2 3.93Å; V36-V94 HydrophobicContact CG2-CG1 4.37Å; V36-V94 HydrophobicContact CG2-CG2 3.75Å; T90-V94 HydrophobicContact CG2-CG2 4.11Å; T90-V94 WeakPolarHBondContact O-CB 3.45Å; T90-V94 WeakPolarHBondContact O-CG2 3.39Å; T90-V94 PolarHBondContact O-N 3.02Å; V91-V94 PolarHBondContact O-N 3.32Å
95I91.3Very high95.4Very high60 Ų6040.9 Ų40.931%0.30824%0.237SC..Hα-helixtrans-81.9-21.1177.7-66.2176.1000111.3V91 Y97 P99V91-I95 HydrophobicContact CG1-CD1 3.74Å; V91-I95 WeakPolarHBondContact O-CB 3.23Å; V91-I95 WeakPolarHBondContact O-CG1 3.19Å; V91-I95 PolarHBondContact O-N 2.96Å; I95-Y97 HydrophobicContact CG2-CD1 3.5Å; I95-Y97 HydrophobicContact CG2-CD2 4.24Å; I95-Y97 HydrophobicContact CG2-CE1 3.31Å; I95-Y97 HydrophobicContact CG2-CE2 4.07Å; I95-Y97 HydrophobicContact CG2-CG 3.96Å; I95-Y97 WeakPolarHBondContact O-CD1 3.13Å; I95-Y97 PolarHBondContact O-N 3.19Å; I95-P99 HydrophobicContact CD1-CG 3.9Å
96G90.4Very high95.4Very high43 Ų4341.7 Ų41.744%0.44324%0.242SC..SBendtrans76.2-3.7-178.800000114.4Y92 I93Y92-G96 PolarHBondContact O-N 3.23Å; I93-G96 PolarHBondContact O-N 2.98Å
97Y92.4Very high95.4Very high91 Ų9146.3 Ų46.336%0.35727%0.266SS..SBendtrans-148.8170.317471.7-93000110.1I95 P99 K183I95-Y97 HydrophobicContact CG2-CD1 3.5Å; I95-Y97 HydrophobicContact CG2-CD2 4.24Å; I95-Y97 HydrophobicContact CG2-CE1 3.31Å; I95-Y97 HydrophobicContact CG2-CE2 4.07Å; I95-Y97 HydrophobicContact CG2-CG 3.96Å; I95-Y97 WeakPolarHBondContact O-CD1 3.13Å; I95-Y97 PolarHBondContact O-N 3.19Å; Y97-P99 HydrophobicContact CE2-CB 3.98Å; Y97-P99 WeakPolarHBondContact O-CD 3.23Å; Y97-K183 WeakPolarHBondContact CA-O 3.47Å; Y97-K183 WeakPolarHBondContact CB-O 3.46Å; Y97-K183 HydrophobicContact CD2-CB 4.46Å; Y97-K183 HydrophobicContact CD2-CG 4.37Å
98W96.3Very high95.5Very high5 Ų544.1 Ų44.12%0.01925%0.254CS..  trans-93.1112.4179.2-176.7-98000111.8L88 Y92 L100 G101 V104 C105 W108 K183 C185L88-W98 HydrophobicContact CB-CH2 4.42Å; L88-W98 HydrophobicContact CD2-CH2 4.47Å; Y92-W98 HydrophobicContact CD2-CB 3.88Å; Y92-W98 HydrophobicContact CD2-CE3 4.01Å; Y92-W98 HydrophobicContact CE2-CB 3.92Å; Y92-W98 HydrophobicContact CG-CE3 4.24Å; W98-L100 HydrophobicContact CH2-CD1 4.06Å; W98-L100 HydrophobicContact CZ2-CB 3.79Å; W98-L100 HydrophobicContact CZ2-CD1 3.95Å; W98-L100 HydrophobicContact CZ2-CG 4.25Å; W98-G101 PolarHBondContact NE1-O 3.02Å; W98-V104 HydrophobicContact CZ2-CB 4.2Å; W98-V104 HydrophobicContact CZ2-CG1 4.06Å; W98-C105 HydrophobicContact CD2-CB 4.43Å; W98-C105 HydrophobicContact CZ2-CB 4.14Å; W98-W108 HydrophobicContact CE3-CE3 4.17Å; W98-W108 HydrophobicContact CE3-CZ3 4.17Å; W98-W108 HydrophobicContact CH2-CB 4.18Å; W98-W108 AromaticContact CH2-CD2 3.94Å; W98-W108 HydrophobicContact CH2-CD2 3.94Å; W98-W108 AromaticContact CH2-CE3 3.47Å; W98-W108 HydrophobicContact CH2-CE3 3.47Å; W98-W108 VanDerWaalsContact CH2-CE3 3.47Å; W98-W108 HydrophobicContact CH2-CG 4.23Å; W98-W108 HydrophobicContact CH2-CZ3 4.25Å; W98-W108 HydrophobicContact CZ2-CE3 4.34Å; W98-W108 HydrophobicContact CZ3-CD2 4.08Å; W98-W108 AromaticContact CZ3-CE3 3.38Å; W98-W108 HydrophobicContact CZ3-CE3 3.38Å; W98-W108 AromaticContact CZ3-CZ3 3.68Å; W98-W108 HydrophobicContact CZ3-CZ3 3.68Å; W98-K183 PolarHBondContact N-O 3.2Å; W98-C185 HydrophobicContact CB-CB 3.99Å; W98-C185 HydrophobicContact CD2-CB 3.77Å; W98-C185 HydrophobicContact CE3-CB 3.93Å; W98-C185 HydrophobicContact CG-CB 3.78Å
99P95.4Very high95.5Very high56 Ų5642.5 Ų42.536%0.36425%0.245SC..  trans-95-9.3-175.337.7-37.8000114.2V91 I95 Y97 G101V91-P99 HydrophobicContact CG1-CG 4.11Å; I95-P99 HydrophobicContact CD1-CG 3.9Å; Y97-P99 HydrophobicContact CE2-CB 3.98Å; Y97-P99 WeakPolarHBondContact O-CD 3.23Å; P99-G101 VanDerWaalsContact C-N 3.32Å; P99-G101 PolarHBondContact O-N 2.87Å
100L95.9Very high95.5Very high74 Ų7442 Ų4239%0.38724%0.244SC..SBendtrans-90.37.8-169.3-53.3178.1000113.8L88 W98 V104L88-L100 HydrophobicContact CD2-CD1 3.6Å; W98-L100 HydrophobicContact CH2-CD1 4.06Å; W98-L100 HydrophobicContact CZ2-CB 3.79Å; W98-L100 HydrophobicContact CZ2-CD1 3.95Å; W98-L100 HydrophobicContact CZ2-CG 4.25Å; L100-V104 HydrophobicContact CB-CB 3.81Å; L100-V104 HydrophobicContact CB-CG1 3.92Å; L100-V104 HydrophobicContact CB-CG2 4.26Å; L100-V104 HydrophobicContact CD1-CG1 4.01Å; L100-V104 WeakPolarHBondContact O-CB 3.43Å; L100-V104 WeakPolarHBondContact O-CG2 3.43Å
101G95.6Very high95.7Very high26 Ų2644.2 Ų44.227%0.26826%0.256SS..Hα-helixtrans72169.1-179.600000114.9W98 P99 V103 V104 C105W98-G101 PolarHBondContact NE1-O 3.02Å; P99-G101 VanDerWaalsContact C-N 3.32Å; P99-G101 PolarHBondContact O-N 2.87Å; G101-V103 PolarHBondContact O-N 3.14Å; G101-V104 PolarHBondContact O-N 3.19Å; G101-C105 PolarHBondContact O-N 3.11Å; G101-C105 VanDerWaalsContact O-N 3.16Å
102P95.5Very high95.8Very high63 Ų6341.7 Ų41.741%0.40924%0.24SC..Hα-helixtrans-66.2-36.1-169.524.5-34.1000113.3V104 C105 D106P102-V104 PolarHBondContact O-N 2.96Å; P102-C105 WeakPolarHBondContact O-CB 3.23Å; P102-C105 PolarHBondContact O-N 2.99Å; P102-D106 PolarHBondContact O-N 3.14Å
103V95.7Very high95.9Very high102 Ų10240.7 Ų40.762%0.61824%0.236SC*.Hα-helixtrans-63.5-42-179.5-179.60000111.6G101 L107G101-V103 PolarHBondContact O-N 3.14Å; V103-L107 HydrophobicContact CG1-CD1 3.99Å; V103-L107 WeakPolarHBondContact O-CB 3.43Å; V103-L107 VanDerWaalsContact O-CG 3.23Å; V103-L107 WeakPolarHBondContact O-CG 3.47Å; V103-L107 PolarHBondContact O-N 3.33Å; V103-L107 VanDerWaalsContact O-N 3.09Å
104V97.4Very high96.2Very high60 Ų6040.6 Ų40.636%0.36424%0.236SC..Hα-helixtrans-74.6-31.4178.6-170.30000110.9W98 L100 G101 P102 W108W98-V104 HydrophobicContact CZ2-CB 4.2Å; W98-V104 HydrophobicContact CZ2-CG1 4.06Å; L100-V104 HydrophobicContact CB-CB 3.81Å; L100-V104 HydrophobicContact CB-CG1 3.92Å; L100-V104 HydrophobicContact CB-CG2 4.26Å; L100-V104 HydrophobicContact CD1-CG1 4.01Å; L100-V104 WeakPolarHBondContact O-CB 3.43Å; L100-V104 WeakPolarHBondContact O-CG2 3.43Å; G101-V104 PolarHBondContact O-N 3.19Å; P102-V104 PolarHBondContact O-N 2.96Å; V104-W108 VanDerWaalsContact O-CB 3.24Å; V104-W108 WeakPolarHBondContact O-CB 3.27Å; V104-W108 PolarHBondContact O-N 3.01Å
105C97.9Very high96.5Very high0 Ų039.6 Ų39.60%023%0.23CC..Hα-helixtrans-58.3-55.5170.8170.10000110.9W98 G101 P102 L107 W108 L109 C185W98-C105 HydrophobicContact CD2-CB 4.43Å; W98-C105 HydrophobicContact CZ2-CB 4.14Å; G101-C105 PolarHBondContact O-N 3.11Å; G101-C105 VanDerWaalsContact O-N 3.16Å; P102-C105 WeakPolarHBondContact O-CB 3.23Å; P102-C105 PolarHBondContact O-N 2.99Å; C105-L107 VanDerWaalsContact C-N 3.33Å; C105-L107 PolarHBondContact O-N 2.83Å; C105-W108 PolarHBondContact O-N 3.16Å; C105-W108 VanDerWaalsContact O-N 3.16Å; C105-L109 WeakPolarHBondContact O-CG 2.96Å; C105-L109 PolarHBondContact O-N 3.19Å; C105-C185 WeakPolarHBondContact CA-SG 3.39Å; C105-C185 HydrophobicContact CB-CB 3.87Å; C105-C185 WeakPolarHBondContact CB-SG 3.46Å; C105-C185 WeakPolarHBondContact SG-CA 3.32Å; C105-C185 WeakPolarHBondContact SG-CB 3.42Å; C105-C185 CovalentContact SG-SG 2.03Å; C105-C185 PolarHBondContact SG-SG 3.38Å
106D97.3Very high96.7Very high17 Ų1737.9 Ų37.99%0.09122%0.223CC..Hα-helixtrans-65.3-37.5-175-60.8-6.1000111.6P102 A110 L169 Q172 R178P102-D106 PolarHBondContact O-N 3.14Å; D106-A110 WeakPolarHBondContact O-CB 3.32Å; D106-A110 PolarHBondContact O-N 3.46Å; D106-L169 HydrophobicContact CB-CD2 3.91Å; D106-Q172 PolarHBondContact OD2-NE2 2.96Å; D106-R178 IonicContact OD1-CZ 2.67Å; D106-R178 VanDerWaalsContact OD1-CZ 3.28Å; D106-R178 IonicContact OD1-NH1 2.93Å; D106-R178 PolarHBondContact OD1-NH1 3.22Å; D106-R178 IonicContact OD1-NH2 3.28Å; D106-R178 PolarHBondContact OD1-NH2 3.39Å; D106-R178 IonicContact OD2-CZ 2.77Å; D106-R178 IonicContact OD2-NH1 2.68Å; D106-R178 PolarHBondContact OD2-NH1 3.25Å; D106-R178 IonicContact OD2-NH2 3.82Å
107L97.9Very high97.1Very high97 Ų9736.2 Ų36.251%0.50821%0.205SC..Hα-helixtrans-67.7-39.3173.6-72.2173000112.9V103 C105 L111 L169V103-L107 HydrophobicContact CG1-CD1 3.99Å; V103-L107 WeakPolarHBondContact O-CB 3.43Å; V103-L107 VanDerWaalsContact O-CG 3.23Å; V103-L107 WeakPolarHBondContact O-CG 3.47Å; V103-L107 PolarHBondContact O-N 3.33Å; V103-L107 VanDerWaalsContact O-N 3.09Å; C105-L107 VanDerWaalsContact C-N 3.33Å; C105-L107 PolarHBondContact O-N 2.83Å; L107-L111 VanDerWaalsContact O-CB 3.25Å; L107-L111 WeakPolarHBondContact O-CB 3.31Å; L107-L111 PolarHBondContact O-N 2.97Å; L107-L169 HydrophobicContact CD2-CD2 4.34Å
108W98.4Very high97.3Very high10 Ų1031.9 Ų31.94%0.03819%0.188CC..Hα-helixtrans-64.1-50.7174.7165.446.8000110.9L88 Y89 W98 V104 C105 A110 L111 D112 C185L88-W108 HydrophobicContact CB-CD2 4.4Å; L88-W108 HydrophobicContact CB-CG 4.23Å; L88-W108 HydrophobicContact CD1-CB 4.01Å; L88-W108 HydrophobicContact CD1-CG 3.87Å; Y89-W108 AromaticContact CD2-CH2 3.65Å; Y89-W108 HydrophobicContact CD2-CH2 3.65Å; Y89-W108 AromaticContact CD2-CZ2 3.78Å; Y89-W108 HydrophobicContact CD2-CZ2 3.78Å; Y89-W108 HydrophobicContact CE2-CH2 4.32Å; Y89-W108 HydrophobicContact CG-CZ2 4.22Å; W98-W108 HydrophobicContact CE3-CE3 4.17Å; W98-W108 HydrophobicContact CE3-CZ3 4.17Å; W98-W108 HydrophobicContact CH2-CB 4.18Å; W98-W108 AromaticContact CH2-CD2 3.94Å; W98-W108 HydrophobicContact CH2-CD2 3.94Å; W98-W108 AromaticContact CH2-CE3 3.47Å; W98-W108 HydrophobicContact CH2-CE3 3.47Å; W98-W108 VanDerWaalsContact CH2-CE3 3.47Å; W98-W108 HydrophobicContact CH2-CG 4.23Å; W98-W108 HydrophobicContact CH2-CZ3 4.25Å; W98-W108 HydrophobicContact CZ2-CE3 4.34Å; W98-W108 HydrophobicContact CZ3-CD2 4.08Å; W98-W108 AromaticContact CZ3-CE3 3.38Å; W98-W108 HydrophobicContact CZ3-CE3 3.38Å; W98-W108 AromaticContact CZ3-CZ3 3.68Å; W98-W108 HydrophobicContact CZ3-CZ3 3.68Å; V104-W108 VanDerWaalsContact O-CB 3.24Å; V104-W108 WeakPolarHBondContact O-CB 3.27Å; V104-W108 PolarHBondContact O-N 3.01Å; C105-W108 PolarHBondContact O-N 3.16Å; C105-W108 VanDerWaalsContact O-N 3.16Å; W108-A110 VanDerWaalsContact C-N 3.35Å; W108-A110 PolarHBondContact O-N 2.81Å; W108-L111 PolarHBondContact O-N 3.31Å; W108-D112 WeakPolarHBondContact O-CB 3.31Å; W108-D112 PolarHBondContact O-N 2.92Å; W108-C185 VanDerWaalsContact CE3-SG 3.51Å; W108-C185 HydrophobicContact CZ3-CB 4.12Å; W108-C185 VanDerWaalsContact CZ3-SG 3.52Å
109L98.2Very high97.3Very high7 Ų731.9 Ų31.94%0.03719%0.188CC..Hα-helixtrans-59.9-44.6178.3-67.5172.7000111.4C105 L111 D112 Y113 I168 Y186 I187C105-L109 WeakPolarHBondContact O-CG 2.96Å; C105-L109 PolarHBondContact O-N 3.19Å; L109-L111 PolarHBondContact O-N 3.15Å; L109-D112 PolarHBondContact O-N 3.49Å; L109-Y113 WeakPolarHBondContact O-CB 3.45Å; L109-Y113 WeakPolarHBondContact O-CD2 3.48Å; L109-Y113 PolarHBondContact O-N 2.76Å; L109-I168 HydrophobicContact CB-CG2 3.83Å; L109-Y186 VanDerWaalsContact CD1-C 3.49Å; L109-I187 HydrophobicContact CB-CG1 4.24Å; L109-I187 HydrophobicContact CD1-CG1 3.99Å; L109-I187 HydrophobicContact CD2-CG1 4.29Å; L109-I187 HydrophobicContact CG-CG1 4.41Å
110A98.4Very high97.3Very high7 Ų729.2 Ų29.26%0.05817%0.171CC..Hα-helixtrans-61.3-45.5176.400000111.8D106 W108 V114 A165 I168 L169D106-A110 WeakPolarHBondContact O-CB 3.32Å; D106-A110 PolarHBondContact O-N 3.46Å; W108-A110 VanDerWaalsContact C-N 3.35Å; W108-A110 PolarHBondContact O-N 2.81Å; A110-V114 VanDerWaalsContact O-CB 3.23Å; A110-V114 WeakPolarHBondContact O-CB 3.33Å; A110-V114 WeakPolarHBondContact O-CG2 3.45Å; A110-V114 PolarHBondContact O-N 3.14Å; A110-V114 VanDerWaalsContact O-N 3.07Å; A110-A165 HydrophobicContact CB-CB 4.4Å; A110-I168 HydrophobicContact CB-CB 4.34Å; A110-I168 HydrophobicContact CB-CG2 4.13Å; A110-L169 HydrophobicContact CB-CD2 3.95Å; A110-L169 HydrophobicContact CB-CG 4.09Å
111L98.5Very high97.3Very high62 Ų6227.6 Ų27.633%0.32516%0.162SC..Hα-helixtrans-62.2-48.7176.1176.5130.8000111.7I80 C84 L107 W108 L109 Y113 V114 V115I80-L111 HydrophobicContact CG2-CD1 4.07Å; I80-L111 HydrophobicContact CG2-CD2 3.83Å; I80-L111 HydrophobicContact CG2-CG 4.1Å; C84-L111 HydrophobicContact CB-CD2 3.72Å; L107-L111 VanDerWaalsContact O-CB 3.25Å; L107-L111 WeakPolarHBondContact O-CB 3.31Å; L107-L111 PolarHBondContact O-N 2.97Å; W108-L111 PolarHBondContact O-N 3.31Å; L109-L111 PolarHBondContact O-N 3.15Å; L111-Y113 PolarHBondContact O-N 3.32Å; L111-V114 PolarHBondContact O-N 3.3Å; L111-V115 HydrophobicContact CG-CG2 4.31Å; L111-V115 VanDerWaalsContact O-CB 3.27Å; L111-V115 WeakPolarHBondContact O-CB 3.31Å; L111-V115 WeakPolarHBondContact O-CG2 3.32Å; L111-V115 PolarHBondContact O-N 3.17Å
112D98.3Very high97.3Very high0 Ų026.3 Ų26.30%015%0.149CC..Hα-helixtrans-63.4-45.4-174.1-161.532.4000111.9I81 S85 W108 L109 S116 Y462 Y466I81-D112 VanDerWaalsContact CD1-OD1 3.26Å; I81-D112 WeakPolarHBondContact CD1-OD1 3.25Å; S85-D112 WeakPolarHBondContact CB-OD1 3.49Å; S85-D112 PolarHBondContact OG-OD1 2.86Å; W108-D112 WeakPolarHBondContact O-CB 3.31Å; W108-D112 PolarHBondContact O-N 2.92Å; L109-D112 PolarHBondContact O-N 3.49Å; D112-S116 WeakPolarHBondContact O-CB 3.39Å; D112-S116 PolarHBondContact O-N 3.32Å; D112-S116 PolarHBondContact O-OG 3.46Å; D112-Y462 WeakPolarHBondContact OD2-CE1 3.12Å; D112-Y462 PolarHBondContact OD2-OH 3.17Å; D112-Y466 WeakPolarHBondContact OD1-CE1 3.45Å; D112-Y466 WeakPolarHBondContact OD2-CE1 3.28Å; D112-Y466 PolarHBondContact OD2-OH 3.43Å
113Y98.1Very high97.1Very high33 Ų3323.4 Ų23.413%0.12913%0.13CC..Hα-helixtrans-73-39.1179-81.2-104.2000112.8L109 L111 N117 W164 I168 I187 F190 Y462L109-Y113 WeakPolarHBondContact O-CB 3.45Å; L109-Y113 WeakPolarHBondContact O-CD2 3.48Å; L109-Y113 PolarHBondContact O-N 2.76Å; L111-Y113 PolarHBondContact O-N 3.32Å; Y113-N117 WeakPolarHBondContact O-CB 3.5Å; Y113-N117 PolarHBondContact O-N 2.93Å; Y113-W164 HydrophobicContact CD1-CD2 4.25Å; Y113-W164 AromaticContact CD1-CE3 3.78Å; Y113-W164 HydrophobicContact CD1-CE3 3.78Å; Y113-W164 AromaticContact CD1-CH2 3.91Å; Y113-W164 HydrophobicContact CD1-CH2 3.91Å; Y113-W164 HydrophobicContact CD1-CZ2 4.37Å; Y113-W164 AromaticContact CD1-CZ3 3.59Å; Y113-W164 HydrophobicContact CD1-CZ3 3.59Å; Y113-W164 HydrophobicContact CE1-CH2 4.35Å; Y113-W164 HydrophobicContact CE1-CZ3 4.16Å; Y113-W164 HydrophobicContact CG-CE3 4.23Å; Y113-W164 HydrophobicContact CG-CZ3 4.46Å; Y113-I168 HydrophobicContact CD2-CD1 4.38Å; Y113-I168 HydrophobicContact CG-CD1 4.1Å; Y113-I187 HydrophobicContact CD1-CD1 4.03Å; Y113-I187 HydrophobicContact CD2-CD1 3.68Å; Y113-I187 HydrophobicContact CE1-CD1 3.86Å; Y113-I187 HydrophobicContact CE2-CD1 3.48Å; Y113-I187 VanDerWaalsContact CE2-CD1 3.48Å; Y113-I187 HydrophobicContact CE2-CG1 4.48Å; Y113-I187 HydrophobicContact CG-CD1 3.95Å; Y113-F190 AromaticContact CE1-CE2 3.73Å; Y113-F190 HydrophobicContact CE1-CE2 3.73Å; Y113-F190 HydrophobicContact CE1-CZ 4.22Å; Y113-F190 AromaticContact CZ-CE2 3.99Å; Y113-Y462 VanDerWaalsContact CE2-OH 3.29Å; Y113-Y462 WeakPolarHBondContact CE2-OH 3.24Å
114V98.5Very high97.1Very high12 Ų1219.4 Ų19.47%0.07311%0.105CC..Hα-helixtrans-62.9-46175.1169.10000111.3A110 L111 A118 S160 F161 W164 A165A110-V114 VanDerWaalsContact O-CB 3.23Å; A110-V114 WeakPolarHBondContact O-CB 3.33Å; A110-V114 WeakPolarHBondContact O-CG2 3.45Å; A110-V114 PolarHBondContact O-N 3.14Å; A110-V114 VanDerWaalsContact O-N 3.07Å; L111-V114 PolarHBondContact O-N 3.3Å; V114-A118 WeakPolarHBondContact O-CB 3.4Å; V114-A118 PolarHBondContact O-N 2.64Å; V114-S160 WeakPolarHBondContact O-CB 3.39Å; V114-F161 HydrophobicContact CG1-CB 4.19Å; V114-F161 HydrophobicContact CG1-CD2 4.44Å; V114-F161 HydrophobicContact CG2-CD2 4.48Å; V114-W164 HydrophobicContact CG2-CB 3.75Å; V114-A165 HydrophobicContact CG2-CB 4.04Å
115V98.3Very high97Very high6 Ų617.7 Ų17.74%0.0369%0.093CC..Hα-helixtrans-67.4-44.6180173.50000110.6A77 I80 I81 L111 A118 S119 W157A77-V115 HydrophobicContact CB-CG1 3.74Å; A77-V115 VanDerWaalsContact O-CG1 3.29Å; A77-V115 WeakPolarHBondContact O-CG1 3.13Å; I80-V115 HydrophobicContact CB-CG1 4.19Å; I80-V115 HydrophobicContact CB-CG2 4.28Å; I80-V115 HydrophobicContact CD1-CG2 4.33Å; I80-V115 HydrophobicContact CG2-CG1 4.37Å; I80-V115 HydrophobicContact CG2-CG2 3.77Å; I81-V115 HydrophobicContact CD1-CB 4.11Å; I81-V115 HydrophobicContact CD1-CG1 3.66Å; I81-V115 HydrophobicContact CG1-CG1 3.77Å; L111-V115 HydrophobicContact CG-CG2 4.31Å; L111-V115 VanDerWaalsContact O-CB 3.27Å; L111-V115 WeakPolarHBondContact O-CB 3.31Å; L111-V115 WeakPolarHBondContact O-CG2 3.32Å; L111-V115 PolarHBondContact O-N 3.17Å; V115-A118 WeakPolarHBondContact O-CB 3.47Å; V115-A118 PolarHBondContact O-N 2.85Å; V115-S119 PolarHBondContact O-N 2.89Å; V115-W157 HydrophobicContact CG2-CH2 4.41Å; V115-W157 HydrophobicContact CG2-CZ3 4.08Å
116S97.3Very high96.7Very high24 Ų2418.2 Ų18.217%0.16810%0.096CC..Hα-helixtrans-60.8-46.8176.7-68.20000111.9D112 A118 S119 V120D112-S116 WeakPolarHBondContact O-CB 3.39Å; D112-S116 PolarHBondContact O-N 3.32Å; D112-S116 PolarHBondContact O-OG 3.46Å; S116-A118 VanDerWaalsContact C-N 3.34Å; S116-A118 PolarHBondContact O-N 3.07Å; S116-S119 WeakPolarHBondContact O-CB 3.38Å; S116-S119 PolarHBondContact O-N 3.48Å; S116-S119 VanDerWaalsContact O-N 3.17Å; S116-V120 PolarHBondContact O-N 2.87Å; S116-V120 VanDerWaalsContact O-N 3.1Å
117N97.5Very high96.4Very high9 Ų917.6 Ų17.65%0.0489%0.093CC..Hα-helixtrans-64.1-38.4175.9-169.495.6000111.8Y113 S119 V120 M121 S160 W164Y113-N117 WeakPolarHBondContact O-CB 3.5Å; Y113-N117 PolarHBondContact O-N 2.93Å; N117-S119 VanDerWaalsContact C-N 3.31Å; N117-S119 PolarHBondContact O-N 3.42Å; N117-V120 PolarHBondContact O-N 3.43Å; N117-M121 WeakPolarHBondContact O-CG 3.36Å; N117-M121 PolarHBondContact O-N 2.94Å; N117-S160 WeakPolarHBondContact ND2-CB 3.39Å; N117-S160 PolarHBondContact ND2-OG 3.41Å; N117-W164 PolarHBondContact OD1-NE1 3.46Å
118A97.5Very high96.2Very high0 Ų016.7 Ų16.70%09%0.085CC..Hα-helixtrans-61.3-39.7173.800000111.3V114 V115 S116 M121 N122 W157 S160V114-A118 WeakPolarHBondContact O-CB 3.4Å; V114-A118 PolarHBondContact O-N 2.64Å; V115-A118 WeakPolarHBondContact O-CB 3.47Å; V115-A118 PolarHBondContact O-N 2.85Å; S116-A118 VanDerWaalsContact C-N 3.34Å; S116-A118 PolarHBondContact O-N 3.07Å; A118-M121 PolarHBondContact O-N 3.35Å; A118-N122 WeakPolarHBondContact O-CB 3.44Å; A118-N122 PolarHBondContact O-N 2.94Å; A118-N122 PolarHBondContact O-ND2 3.06Å; A118-W157 HydrophobicContact CB-CD2 3.87Å; A118-W157 HydrophobicContact CB-CE3 3.87Å; A118-W157 HydrophobicContact CB-CG 4.41Å; A118-W157 HydrophobicContact CB-CH2 4.38Å; A118-W157 HydrophobicContact CB-CZ2 4.38Å; A118-W157 HydrophobicContact CB-CZ3 4.13Å; A118-S160 VanDerWaalsContact CA-OG 3.31Å; A118-S160 WeakPolarHBondContact CA-OG 3.43Å; A118-S160 PolarHBondContact N-OG 2.82Å; A118-S160 VanDerWaalsContact N-OG 3.17Å
119S95.9Very high95.8Very high4 Ų416.3 Ų16.33%0.0288%0.084CC..Hα-helixtrans-60.3-44.8172.3-76.30000112.8L74 A77 V115 S116 N117 M121 N122 L123L74-S119 WeakPolarHBondContact CD1-OG 3.45Å; A77-S119 WeakPolarHBondContact CB-OG 3.32Å; V115-S119 PolarHBondContact O-N 2.89Å; S116-S119 WeakPolarHBondContact O-CB 3.38Å; S116-S119 PolarHBondContact O-N 3.48Å; S116-S119 VanDerWaalsContact O-N 3.17Å; N117-S119 VanDerWaalsContact C-N 3.31Å; N117-S119 PolarHBondContact O-N 3.42Å; S119-M121 PolarHBondContact O-N 2.9Å; S119-N122 PolarHBondContact O-N 3.36Å; S119-L123 WeakPolarHBondContact O-CG 3.34Å; S119-L123 PolarHBondContact O-N 3.44Å
120V95.9Very high95.3Very high1 Ų117.6 Ų17.61%0.0069%0.088CC..Hα-helixtrans-60-45.5174.9-177.40000111.4S116 N117 N122 L123 L124 P207 F432 W436S116-V120 PolarHBondContact O-N 2.87Å; S116-V120 VanDerWaalsContact O-N 3.1Å; N117-V120 PolarHBondContact O-N 3.43Å; V120-N122 VanDerWaalsContact C-N 3.35Å; V120-N122 PolarHBondContact O-N 3.04Å; V120-L123 PolarHBondContact O-N 3.34Å; V120-L123 VanDerWaalsContact O-N 3.14Å; V120-L124 PolarHBondContact O-N 3.25Å; V120-P207 HydrophobicContact CG1-CB 3.6Å; V120-P207 HydrophobicContact CG1-CG 3.96Å; V120-F432 HydrophobicContact CG1-CZ 4.37Å; V120-F432 HydrophobicContact CG2-CE2 3.93Å; V120-F432 HydrophobicContact CG2-CZ 3.8Å; V120-W436 HydrophobicContact CG2-CE3 4.28Å; V120-W436 HydrophobicContact CG2-CH2 3.59Å; V120-W436 HydrophobicContact CG2-CZ3 3.38Å
121M95.9Very high94.9Very high39 Ų3920.5 Ų20.519%0.19210%0.098CC..Hα-helixtrans-66.1-35.6179-65.4-61.6157.300112.1N117 A118 S119 L124 I125 A156N117-M121 WeakPolarHBondContact O-CG 3.36Å; N117-M121 PolarHBondContact O-N 2.94Å; A118-M121 PolarHBondContact O-N 3.35Å; S119-M121 PolarHBondContact O-N 2.9Å; M121-L124 HydrophobicContact CE-CD1 4.44Å; M121-L124 PolarHBondContact O-N 3.19Å; M121-L124 HydrophobicContact SD-CD1 3.87Å; M121-I125 WeakPolarHBondContact O-CB 3.44Å; M121-I125 WeakPolarHBondContact O-CD1 3.25Å; M121-I125 VanDerWaalsContact O-CG1 3.27Å; M121-I125 WeakPolarHBondContact O-CG1 3.43Å; M121-I125 PolarHBondContact O-N 3.43Å; M121-A156 HydrophobicContact CB-CB 3.78Å
122N94.8Very high94.6Very high0 Ų020.6 Ų20.60%010%0.096CC..Hα-helixtrans-62.5-41.4170.5-79.2-70.6000111.8S73 L74 A118 S119 V120 I125 I126S73-N122 VanDerWaalsContact CB-OD1 3.26Å; S73-N122 WeakPolarHBondContact CB-OD1 3.44Å; S73-N122 VanDerWaalsContact OG-CG 3.27Å; S73-N122 PolarHBondContact OG-ND2 2.84Å; S73-N122 VanDerWaalsContact OG-ND2 3.13Å; S73-N122 PolarHBondContact OG-OD1 3.46Å; L74-N122 HydrophobicContact CB-CB 4.48Å; A118-N122 WeakPolarHBondContact O-CB 3.44Å; A118-N122 PolarHBondContact O-N 2.94Å; A118-N122 PolarHBondContact O-ND2 3.06Å; S119-N122 PolarHBondContact O-N 3.36Å; V120-N122 VanDerWaalsContact C-N 3.35Å; V120-N122 PolarHBondContact O-N 3.04Å; N122-I125 PolarHBondContact O-N 3.01Å; N122-I126 WeakPolarHBondContact O-CB 3.37Å; N122-I126 WeakPolarHBondContact O-CD1 3.5Å; N122-I126 VanDerWaalsContact O-CG1 3.23Å; N122-I126 WeakPolarHBondContact O-CG1 3.5Å; N122-I126 PolarHBondContact O-N 3.22Å
123L92.4Very high94Very high2 Ų221.9 Ų21.91%0.0110%0.104CC..Hα-helixtrans-66.7-37.7176.6-69.6175.6000112.9L74 S119 V120 I126 S127 M211 I428 F432L74-L123 HydrophobicContact CD2-CD2 3.76Å; L74-L123 HydrophobicContact CD2-CG 4.38Å; S119-L123 WeakPolarHBondContact O-CG 3.34Å; S119-L123 PolarHBondContact O-N 3.44Å; V120-L123 PolarHBondContact O-N 3.34Å; V120-L123 VanDerWaalsContact O-N 3.14Å; L123-I126 PolarHBondContact O-N 2.97Å; L123-S127 WeakPolarHBondContact O-CB 3.38Å; L123-S127 PolarHBondContact O-N 2.96Å; L123-S127 PolarHBondContact O-OG 3.38Å; L123-M211 HydrophobicContact CB-SD 3.78Å; L123-I428 HydrophobicContact CD2-CG2 3.54Å; L123-F432 HydrophobicContact CD1-CB 3.93Å; L123-F432 HydrophobicContact CD1-CD1 4.18Å; L123-F432 HydrophobicContact CD1-CD2 3.52Å; L123-F432 HydrophobicContact CD1-CE2 4.04Å; L123-F432 HydrophobicContact CD1-CG 3.59Å
124L94.6Very high93.4Very high18 Ų1821.8 Ų21.89%0.09411%0.108CC..Hα-helixtrans-61.4-48.5170-83.6169000111.5V120 M121 I126 S127 F128 P207 I210 M211V120-L124 PolarHBondContact O-N 3.25Å; M121-L124 HydrophobicContact CE-CD1 4.44Å; M121-L124 PolarHBondContact O-N 3.19Å; M121-L124 HydrophobicContact SD-CD1 3.87Å; L124-I126 VanDerWaalsContact C-N 3.34Å; L124-I126 PolarHBondContact O-N 2.71Å; L124-S127 WeakPolarHBondContact O-CA 3.47Å; L124-S127 WeakPolarHBondContact O-CB 3.39Å; L124-S127 PolarHBondContact O-N 3.36Å; L124-F128 HydrophobicContact CD2-CE2 4.34Å; L124-F128 VanDerWaalsContact O-CD2 3.31Å; L124-F128 WeakPolarHBondContact O-CD2 3.36Å; L124-F128 PolarHBondContact O-N 3.38Å; L124-P207 HydrophobicContact CD1-CB 3.82Å; L124-P207 HydrophobicContact CD1-CG 4.06Å; L124-P207 HydrophobicContact CD2-CB 4.43Å; L124-P207 HydrophobicContact CG-CB 4.22Å; L124-I210 HydrophobicContact CD2-CB 4.03Å; L124-I210 HydrophobicContact CD2-CG2 3.69Å; L124-M211 HydrophobicContact CD2-CG 3.72Å; L124-M211 HydrophobicContact CD2-SD 4.46Å; L124-M211 HydrophobicContact CG-CG 4.29Å; L124-M211 HydrophobicContact CG-SD 4.4Å
125I94.4Very high92.8Very high23 Ų2323.5 Ų23.512%0.11812%0.118CC..Hα-helixtrans-59.1-43.9177.3-74.4164.3000111.3F70 M121 N122 S127 F128 D129 M152 A156F70-I125 HydrophobicContact CD1-CG2 3.56Å; F70-I125 HydrophobicContact CD2-CG2 4.41Å; F70-I125 HydrophobicContact CE1-CG2 3.34Å; F70-I125 HydrophobicContact CE2-CG2 4.22Å; F70-I125 HydrophobicContact CG-CG2 4.12Å; F70-I125 HydrophobicContact CZ-CG2 3.7Å; M121-I125 WeakPolarHBondContact O-CB 3.44Å; M121-I125 WeakPolarHBondContact O-CD1 3.25Å; M121-I125 VanDerWaalsContact O-CG1 3.27Å; M121-I125 WeakPolarHBondContact O-CG1 3.43Å; M121-I125 PolarHBondContact O-N 3.43Å; N122-I125 PolarHBondContact O-N 3.01Å; I125-S127 VanDerWaalsContact C-N 3.3Å; I125-S127 PolarHBondContact O-N 3.44Å; I125-F128 PolarHBondContact O-N 2.89Å; I125-D129 WeakPolarHBondContact O-CB 3.5Å; I125-D129 PolarHBondContact O-N 2.94Å; I125-M152 HydrophobicContact CD1-CB 4.24Å; I125-M152 WeakPolarHBondContact CD1-O 3.38Å; I125-M152 HydrophobicContact CG1-CE 4.26Å; I125-M152 HydrophobicContact CG2-CE 3.83Å; I125-A156 HydrophobicContact CD1-CB 3.84Å
126I92Very high92.2Very high12 Ų1229.1 Ų29.16%0.06214%0.142CC..Hα-helixtrans-60.3-40.9173.8-70.7162.9000110.6F70 L71 L74 N122 L123 L124 R130 I425F70-I126 HydrophobicContact CB-CD1 3.97Å; F70-I126 HydrophobicContact CB-CG1 3.58Å; F70-I126 HydrophobicContact CD2-CG1 4.46Å; F70-I126 HydrophobicContact CG-CG1 4.25Å; L71-I126 HydrophobicContact CD2-CD1 3.99Å; L74-I126 HydrophobicContact CD2-CD1 4.37Å; N122-I126 WeakPolarHBondContact O-CB 3.37Å; N122-I126 WeakPolarHBondContact O-CD1 3.5Å; N122-I126 VanDerWaalsContact O-CG1 3.23Å; N122-I126 WeakPolarHBondContact O-CG1 3.5Å; N122-I126 PolarHBondContact O-N 3.22Å; L123-I126 PolarHBondContact O-N 2.97Å; L124-I126 VanDerWaalsContact C-N 3.34Å; L124-I126 PolarHBondContact O-N 2.71Å; I126-R130 WeakPolarHBondContact O-CB 3.47Å; I126-R130 WeakPolarHBondContact O-CG 3.49Å; I126-R130 PolarHBondContact O-N 3.02Å; I126-I425 HydrophobicContact CG2-CG1 4.39Å; I126-I425 HydrophobicContact CG2-CG2 4.24Å
127S92Very high91.5Very high3 Ų330.5 Ų30.52%0.02115%0.15CC..Hα-helixtrans-66.2-42.9178.4-60.40000112.3L123 L124 I125 R130 Y131L123-S127 WeakPolarHBondContact O-CB 3.38Å; L123-S127 PolarHBondContact O-N 2.96Å; L123-S127 PolarHBondContact O-OG 3.38Å; L124-S127 WeakPolarHBondContact O-CA 3.47Å; L124-S127 WeakPolarHBondContact O-CB 3.39Å; L124-S127 PolarHBondContact O-N 3.36Å; I125-S127 VanDerWaalsContact C-N 3.3Å; I125-S127 PolarHBondContact O-N 3.44Å; S127-R130 PolarHBondContact O-N 3.44Å; S127-Y131 WeakPolarHBondContact O-CB 3.48Å; S127-Y131 PolarHBondContact O-N 2.81Å
128F92.8Very high90.9Very high78 Ų7837.1 Ų37.134%0.34219%0.185SC..Hα-helixtrans-68.8-45.4177.1-82.1-69.6000113.2L124 I125 R130 Y131 F132 I210 L214L124-F128 HydrophobicContact CD2-CE2 4.34Å; L124-F128 VanDerWaalsContact O-CD2 3.31Å; L124-F128 WeakPolarHBondContact O-CD2 3.36Å; L124-F128 PolarHBondContact O-N 3.38Å; I125-F128 PolarHBondContact O-N 2.89Å; F128-R130 PolarHBondContact O-N 2.9Å; F128-Y131 PolarHBondContact O-N 2.89Å; F128-F132 HydrophobicContact CB-CD2 4.44Å; F128-F132 HydrophobicContact CB-CE2 4.12Å; F128-F132 HydrophobicContact CD1-CE2 4.06Å; F128-F132 HydrophobicContact CD1-CZ 4.26Å; F128-F132 WeakPolarHBondContact O-CD2 3.29Å; F128-F132 WeakPolarHBondContact O-CG 3.32Å; F128-F132 PolarHBondContact O-N 3.15Å; F128-I210 HydrophobicContact CE2-CG2 3.9Å; F128-I210 HydrophobicContact CZ-CG2 3.77Å; F128-L214 HydrophobicContact CD1-CD1 3.81Å; F128-L214 HydrophobicContact CD1-CD2 3.97Å; F128-L214 HydrophobicContact CD2-CD1 3.98Å; F128-L214 HydrophobicContact CE1-CD1 3.8Å; F128-L214 HydrophobicContact CE1-CD2 3.84Å; F128-L214 HydrophobicContact CE1-CG 4.38Å; F128-L214 HydrophobicContact CE2-CD1 3.97Å; F128-L214 HydrophobicContact CG-CD1 3.9Å; F128-L214 HydrophobicContact CZ-CD1 3.89Å
129D91.3Very high90.4Very high2 Ų240.8 Ų40.81%0.01121%0.211CC..Hα-helixtrans-48.4-45.7172.3171.281.2000111F70 I125 F132 C133 R144F70-D129 HydrophobicContact CE2-CB 4.21Å; I125-D129 WeakPolarHBondContact O-CB 3.5Å; I125-D129 PolarHBondContact O-N 2.94Å; D129-F132 PolarHBondContact O-N 3.08Å; D129-C133 WeakPolarHBondContact O-CB 3.36Å; D129-C133 PolarHBondContact O-N 2.78Å; D129-C133 PolarHBondContact O-SG 3.46Å; D129-C133 VanDerWaalsContact O-SG 3.4Å; D129-R144 VanDerWaalsContact CG-NH1 3.3Å; D129-R144 WeakPolarHBondContact OD1-CD 3.39Å; D129-R144 IonicContact OD1-CZ 3.4Å; D129-R144 IonicContact OD1-NE 3.58Å; D129-R144 IonicContact OD1-NH1 3.14Å; D129-R144 PolarHBondContact OD1-NH1 3.11Å; D129-R144 IonicContact OD2-NH1 3.72Å; D129-R144 PolarHBondContact OD2-NH1 3.28Å; D129-R144 VanDerWaalsContact OD2-NH1 3.14Å
130R88Confident90.1Very high35 Ų3542.1 Ų42.113%0.13222%0.215CC..Hα-helixtrans-75.8-37.7-174.2-65.6-70.2-171.8-133.319112.4N67 I126 S127 F128 V134 I218 I425N67-R130 VanDerWaalsContact CG-NH1 3.31Å; N67-R130 PolarHBondContact ND2-NH2 2.92Å; N67-R130 PolarHBondContact OD1-NH1 2.94Å; N67-R130 PolarHBondContact OD1-NH2 3.43Å; I126-R130 WeakPolarHBondContact O-CB 3.47Å; I126-R130 WeakPolarHBondContact O-CG 3.49Å; I126-R130 PolarHBondContact O-N 3.02Å; S127-R130 PolarHBondContact O-N 3.44Å; F128-R130 PolarHBondContact O-N 2.9Å; R130-V134 WeakPolarHBondContact O-CB 3.42Å; R130-V134 VanDerWaalsContact O-CG2 3.31Å; R130-V134 WeakPolarHBondContact O-CG2 3.44Å; R130-V134 PolarHBondContact O-N 3.12Å; R130-I218 HydrophobicContact CB-CD1 4.19Å; R130-I425 HydrophobicContact CB-CD1 4.2Å; R130-I425 VanDerWaalsContact CD-CD1 3.41Å; R130-I425 HydrophobicContact CG-CD1 3.52Å; R130-I425 HydrophobicContact CG-CG1 4.26Å
131Y89.8Confident89.7Confident67 Ų6744.5 Ų44.526%0.26323%0.231SC..Hα-helixtrans-59.4-47.8170.1173.2-98.1000111S127 F128 V134 T135 L214 Q217 I218S127-Y131 WeakPolarHBondContact O-CB 3.48Å; S127-Y131 PolarHBondContact O-N 2.81Å; F128-Y131 PolarHBondContact O-N 2.89Å; Y131-V134 PolarHBondContact O-N 3.38Å; Y131-T135 HydrophobicContact CD2-CG2 4.03Å; Y131-T135 HydrophobicContact CE1-CG2 4.32Å; Y131-T135 HydrophobicContact CE2-CG2 3.68Å; Y131-T135 HydrophobicContact CG-CG2 4.48Å; Y131-T135 WeakPolarHBondContact O-CB 3.48Å; Y131-T135 VanDerWaalsContact O-CG2 3.32Å; Y131-T135 WeakPolarHBondContact O-CG2 3.46Å; Y131-T135 PolarHBondContact O-N 3.46Å; Y131-T135 PolarHBondContact O-OG1 2.89Å; Y131-L214 HydrophobicContact CD1-CD2 4.09Å; Y131-L214 HydrophobicContact CD2-CD2 3.91Å; Y131-L214 HydrophobicContact CG-CD2 3.69Å; Y131-Q217 HydrophobicContact CD2-CB 4.11Å; Y131-Q217 HydrophobicContact CE2-CB 3.76Å; Y131-Q217 HydrophobicContact CE2-CG 4.35Å; Y131-I218 HydrophobicContact CD2-CG1 4.46Å
132F90.5Very high89.2Confident65 Ų6548.6 Ų48.629%0.28526%0.258SS..Hα-helixtrans-69.5-38.1179.5-64.3-51.6000113.3F128 D129 V134 T135 K136 Y140F128-F132 HydrophobicContact CB-CD2 4.44Å; F128-F132 HydrophobicContact CB-CE2 4.12Å; F128-F132 HydrophobicContact CD1-CE2 4.06Å; F128-F132 HydrophobicContact CD1-CZ 4.26Å; F128-F132 WeakPolarHBondContact O-CD2 3.29Å; F128-F132 WeakPolarHBondContact O-CG 3.32Å; F128-F132 PolarHBondContact O-N 3.15Å; D129-F132 PolarHBondContact O-N 3.08Å; F132-V134 VanDerWaalsContact C-N 3.35Å; F132-V134 PolarHBondContact O-N 3.05Å; F132-T135 PolarHBondContact O-OG1 2.94Å; F132-K136 WeakPolarHBondContact O-CA 3.34Å; F132-K136 PolarHBondContact O-N 3.22Å; F132-Y140 HydrophobicContact CB-CD1 3.56Å; F132-Y140 HydrophobicContact CB-CD2 3.75Å; F132-Y140 HydrophobicContact CB-CE1 3.66Å; F132-Y140 HydrophobicContact CB-CE2 3.85Å; F132-Y140 HydrophobicContact CB-CG 3.6Å; F132-Y140 HydrophobicContact CD2-CE2 4.16Å; F132-Y140 HydrophobicContact CG-CD2 4.38Å; F132-Y140 HydrophobicContact CG-CE2 4.27Å
133C86.4Confident88.9Confident26 Ų2656.5 Ų56.518%0.17629%0.292CS..Hα-helixtrans-59.8-40.8172-80.80000112.9D129 P137D129-C133 WeakPolarHBondContact O-CB 3.36Å; D129-C133 PolarHBondContact O-N 2.78Å; D129-C133 PolarHBondContact O-SG 3.46Å; D129-C133 VanDerWaalsContact O-SG 3.4Å; C133-P137 WeakPolarHBondContact O-CA 3.21Å
134V85Confident88.7Confident32 Ų3258.5 Ų58.519%0.19430%0.299CS..Hα-helixtrans-80.9-32.4-176.6172.90000112.4R130 Y131 F132 I218 A221 R225R130-V134 WeakPolarHBondContact O-CB 3.42Å; R130-V134 VanDerWaalsContact O-CG2 3.31Å; R130-V134 WeakPolarHBondContact O-CG2 3.44Å; R130-V134 PolarHBondContact O-N 3.12Å; Y131-V134 PolarHBondContact O-N 3.38Å; F132-V134 VanDerWaalsContact C-N 3.35Å; F132-V134 PolarHBondContact O-N 3.05Å; V134-I218 HydrophobicContact CG2-CG2 4.35Å; V134-A221 HydrophobicContact CG1-CB 3.83Å; V134-R225 PolarHBondContact O-NH2 3.21Å
135T86.1Confident88.6Confident48 Ų4861.1 Ų61.129%0.29432%0.316SS..Hα-helixtrans-84.1-42179.655.20000113.1Y131 F132 P137Y131-T135 HydrophobicContact CD2-CG2 4.03Å; Y131-T135 HydrophobicContact CE1-CG2 4.32Å; Y131-T135 HydrophobicContact CE2-CG2 3.68Å; Y131-T135 HydrophobicContact CG-CG2 4.48Å; Y131-T135 WeakPolarHBondContact O-CB 3.48Å; Y131-T135 VanDerWaalsContact O-CG2 3.32Å; Y131-T135 WeakPolarHBondContact O-CG2 3.46Å; Y131-T135 PolarHBondContact O-N 3.46Å; Y131-T135 PolarHBondContact O-OG1 2.89Å; F132-T135 PolarHBondContact O-OG1 2.94Å; T135-P137 WeakPolarHBondContact O-CD 3.38Å
136K86.4Confident88.3Confident124 Ų12463.2 Ų63.254%0.53933%0.331SS..SBendtrans-117.459-175.9-59.9-177.3-178.1-179.10111.8F132 L138 S139 Y140 P141F132-K136 WeakPolarHBondContact O-CA 3.34Å; F132-K136 PolarHBondContact O-N 3.22Å; K136-L138 VanDerWaalsContact C-N 3.3Å; K136-L138 PolarHBondContact O-N 2.89Å; K136-S139 PolarHBondContact O-N 3.36Å; K136-Y140 PolarHBondContact O-N 3.47Å; K136-P141 WeakPolarHBondContact O-CD 3.41Å
137P83.4Confident88.3Confident52 Ų5270.9 Ų70.934%0.33836%0.363SS..THydrogen-bonded Turntrans-66.4-21.8-164.728.4-38.6000115.5C133 T135 P141C133-P137 WeakPolarHBondContact O-CA 3.21Å; T135-P137 WeakPolarHBondContact O-CD 3.38Å; P137-P141 WeakPolarHBondContact O-CD 3.06Å; P137-P141 WeakPolarHBondContact O-CG 3.24Å
138L83.9Confident88.4Confident149 Ų14974 Ų7478%0.7838%0.378SS*.THydrogen-bonded Turntrans-92.7-35.9177-59.4179.4000112.2K136 V142K136-L138 VanDerWaalsContact C-N 3.3Å; K136-L138 PolarHBondContact O-N 2.89Å; L138-V142 WeakPolarHBondContact O-CG2 3.26Å
139S87Confident88.4Confident77 Ų7770.3 Ų70.354%0.53836%0.362SS..THydrogen-bonded Turntrans-92.2-39.2-170.9-39.20000113.8K136K136-S139 PolarHBondContact O-N 3.36Å
140Y89.5Confident88.5Confident31 Ų3171.8 Ų71.812%0.12238%0.378CS..Hα-helixtrans-77.3-47.2-174.9179.8-103.4000113.2F132 K136 V142 K143 R144F132-Y140 HydrophobicContact CB-CD1 3.56Å; F132-Y140 HydrophobicContact CB-CD2 3.75Å; F132-Y140 HydrophobicContact CB-CE1 3.66Å; F132-Y140 HydrophobicContact CB-CE2 3.85Å; F132-Y140 HydrophobicContact CB-CG 3.6Å; F132-Y140 HydrophobicContact CD2-CE2 4.16Å; F132-Y140 HydrophobicContact CG-CD2 4.38Å; F132-Y140 HydrophobicContact CG-CE2 4.27Å; K136-Y140 PolarHBondContact O-N 3.47Å; Y140-V142 PolarHBondContact O-N 3.05Å; Y140-V142 VanDerWaalsContact O-N 3.15Å; Y140-K143 PolarHBondContact O-N 2.92Å; Y140-K143 VanDerWaalsContact O-N 3.13Å; Y140-R144 HydrophobicContact CE1-CB 4.49Å; Y140-R144 HydrophobicContact CE1-CG 4.41Å; Y140-R144 WeakPolarHBondContact O-CB 3.22Å; Y140-R144 PolarHBondContact O-N 2.73Å; Y140-R144 VanDerWaalsContact O-N 3.11Å
141P87Confident88.9Confident52 Ų5276.1 Ų76.134%0.33840%0.401SS..Hα-helixtrans-61.1-26.6-179-26.938.2000114.7K136 P137K136-P141 WeakPolarHBondContact O-CD 3.41Å; P137-P141 WeakPolarHBondContact O-CD 3.06Å; P137-P141 WeakPolarHBondContact O-CG 3.24Å
142V86.6Confident89.1Confident125 Ų12575.2 Ų75.276%0.75840%0.4SS*.Hα-helixtrans-75.9-38.1177.2-179.70000111.8L138 Y140 R144L138-V142 WeakPolarHBondContact O-CG2 3.26Å; Y140-V142 PolarHBondContact O-N 3.05Å; Y140-V142 VanDerWaalsContact O-N 3.15Å; V142-R144 VanDerWaalsContact C-N 3.34Å
143K87.1Confident89.5Confident166 Ų16673.4 Ų73.472%0.72239%0.393SS*.Hα-helixtrans-76.5-19.9176.9-68-171.4177.2-166.20113.4Y140 T145Y140-K143 PolarHBondContact O-N 2.92Å; Y140-K143 VanDerWaalsContact O-N 3.13Å; K143-T145 PolarHBondContact O-N 2.99Å; K143-T145 VanDerWaalsContact O-N 3.09Å
144R88.4Confident90Very high43 Ų4374.6 Ų74.616%0.16241%0.405CS..  trans-8091-171.3-170.6-169.662.1162.83.9112.7V66 N67 D129 Y140 V142V66-R144 HydrophobicContact CG1-CG 4.02Å; N67-R144 PolarHBondContact OD1-NH1 3.49Å; N67-R144 PolarHBondContact OD1-NH2 2.98Å; D129-R144 VanDerWaalsContact CG-NH1 3.3Å; D129-R144 WeakPolarHBondContact OD1-CD 3.39Å; D129-R144 IonicContact OD1-CZ 3.4Å; D129-R144 IonicContact OD1-NE 3.58Å; D129-R144 IonicContact OD1-NH1 3.14Å; D129-R144 PolarHBondContact OD1-NH1 3.11Å; D129-R144 IonicContact OD2-NH1 3.72Å; D129-R144 PolarHBondContact OD2-NH1 3.28Å; D129-R144 VanDerWaalsContact OD2-NH1 3.14Å; Y140-R144 HydrophobicContact CE1-CB 4.49Å; Y140-R144 HydrophobicContact CE1-CG 4.41Å; Y140-R144 WeakPolarHBondContact O-CB 3.22Å; Y140-R144 PolarHBondContact O-N 2.73Å; Y140-R144 VanDerWaalsContact O-N 3.11Å; V142-R144 VanDerWaalsContact C-N 3.34Å
145T92.2Very high90.6Very high73 Ų7375.8 Ų75.845%0.44842%0.418SS..  trans-85.8163.317765.60000113.4K143 K147 M148 A149K143-T145 PolarHBondContact O-N 2.99Å; K143-T145 VanDerWaalsContact O-N 3.09Å; T145-K147 VanDerWaalsContact C-N 3.33Å; T145-M148 PolarHBondContact O-N 2.9Å; T145-M148 PolarHBondContact OG1-N 3.37Å; T145-M148 VanDerWaalsContact OG1-N 3.14Å; T145-A149 PolarHBondContact O-N 2.67Å
146T89.6Confident91.1Very high68 Ų6873.8 Ų73.842%0.41741%0.406SS..Hα-helixtrans-64.4-35.1169.4460000112.4V66 Y69 M148 A149 G150V66-T146 HydrophobicContact CG2-CG2 4.03Å; Y69-T146 HydrophobicContact CD2-CG2 4.49Å; Y69-T146 HydrophobicContact CE2-CG2 3.95Å; T146-M148 PolarHBondContact O-N 3.11Å; T146-A149 PolarHBondContact O-N 3.33Å; T146-G150 PolarHBondContact O-N 3.17Å
147K92.1Very high91.7Very high172 Ų17270.9 Ų70.975%0.74839%0.392SS*.Hα-helixtrans-58-46.8173.7-68.5-169.4177-171.80111.4T145 A149 G150 M151T145-K147 VanDerWaalsContact C-N 3.33Å; K147-A149 PolarHBondContact O-N 3.21Å; K147-G150 PolarHBondContact O-N 3.14Å; K147-M151 WeakPolarHBondContact O-CG 3.38Å; K147-M151 PolarHBondContact O-N 3.02Å
148M92.5Very high92.4Very high68 Ų6872.3 Ų72.334%0.33540%0.4SS..Hα-helixtrans-58.5-47.9177.1-175.2-176.6-178.900111.7T145 T146 G150 M151 M152T145-M148 PolarHBondContact O-N 2.9Å; T145-M148 PolarHBondContact OG1-N 3.37Å; T145-M148 VanDerWaalsContact OG1-N 3.14Å; T146-M148 PolarHBondContact O-N 3.11Å; M148-G150 PolarHBondContact O-N 3.4Å; M148-M151 PolarHBondContact O-N 2.62Å; M148-M152 HydrophobicContact CE-SD 4.06Å; M148-M152 HydrophobicContact CG-SD 4.18Å; M148-M152 WeakPolarHBondContact O-CG 3.43Å; M148-M152 PolarHBondContact O-N 2.77Å
149A93.3Very high93.1Very high1 Ų169.3 Ų69.31%0.00838%0.384CS..Hα-helixtrans-64.3-37.8178.200000113.1V66 F70 T145 T146 K147 M152 I153V66-A149 HydrophobicContact CG1-CB 3.51Å; F70-A149 HydrophobicContact CE1-CB 3.64Å; F70-A149 HydrophobicContact CE2-CB 4.34Å; F70-A149 HydrophobicContact CZ-CB 3.51Å; T145-A149 PolarHBondContact O-N 2.67Å; T146-A149 PolarHBondContact O-N 3.33Å; K147-A149 PolarHBondContact O-N 3.21Å; A149-M152 PolarHBondContact O-N 2.8Å; A149-I153 WeakPolarHBondContact O-CB 3.37Å; A149-I153 WeakPolarHBondContact O-CD1 3.34Å; A149-I153 VanDerWaalsContact O-CG1 3.28Å; A149-I153 WeakPolarHBondContact O-CG1 3.23Å; A149-I153 PolarHBondContact O-N 2.89Å
150G94.8Very high93.6Very high33 Ų3365.7 Ų65.734%0.3436%0.358SS..Hα-helixtrans-60.2-43.4172.800000112.7T146 K147 M148 I153 A154T146-G150 PolarHBondContact O-N 3.17Å; K147-G150 PolarHBondContact O-N 3.14Å; M148-G150 PolarHBondContact O-N 3.4Å; G150-I153 PolarHBondContact O-N 3.43Å; G150-A154 WeakPolarHBondContact O-CB 3.08Å; G150-A154 PolarHBondContact O-N 2.91Å
151M95.1Very high94Very high127 Ų12769.9 Ų69.963%0.62638%0.377SS*.Hα-helixtrans-66-40.2175-66.7-174.6-59.400112.4K147 M148 I153 A154 A155K147-M151 WeakPolarHBondContact O-CG 3.38Å; K147-M151 PolarHBondContact O-N 3.02Å; M148-M151 PolarHBondContact O-N 2.62Å; M151-I153 VanDerWaalsContact C-N 3.34Å; M151-I153 PolarHBondContact O-N 3.24Å; M151-A154 PolarHBondContact O-N 2.98Å; M151-A155 VanDerWaalsContact O-CB 3.31Å; M151-A155 WeakPolarHBondContact O-CB 3.46Å; M151-A155 PolarHBondContact O-N 2.62Å
152M95.3Very high94.5Very high48 Ų4872.4 Ų72.424%0.23639%0.387CS..Hα-helixtrans-63.4-39.7175.6-67.7173.87900112F70 I125 M148 A149 A156F70-M152 HydrophobicContact CE1-CB 4.34Å; F70-M152 HydrophobicContact CZ-SD 4.35Å; I125-M152 HydrophobicContact CD1-CB 4.24Å; I125-M152 WeakPolarHBondContact CD1-O 3.38Å; I125-M152 HydrophobicContact CG1-CE 4.26Å; I125-M152 HydrophobicContact CG2-CE 3.83Å; M148-M152 HydrophobicContact CE-SD 4.06Å; M148-M152 HydrophobicContact CG-SD 4.18Å; M148-M152 WeakPolarHBondContact O-CG 3.43Å; M148-M152 PolarHBondContact O-N 2.77Å; A149-M152 PolarHBondContact O-N 2.8Å; M152-A156 PolarHBondContact O-N 3.2Å; M152-A156 VanDerWaalsContact O-N 3.09Å
153I97.3Very high95Very high26 Ų2670.9 Ų70.913%0.13337%0.374CS..Hα-helixtrans-64.7-51.2173.9-72161.4000110.3Y69 F70 S73 A149 G150 M151 A155 A156 W157Y69-I153 WeakPolarHBondContact O-CD1 3.2Å; F70-I153 HydrophobicContact CD1-CD1 3.83Å; F70-I153 HydrophobicContact CD1-CG1 3.76Å; F70-I153 HydrophobicContact CE1-CD1 4.27Å; F70-I153 HydrophobicContact CE1-CG1 4.12Å; S73-I153 WeakPolarHBondContact OG-CG2 3.25Å; A149-I153 WeakPolarHBondContact O-CB 3.37Å; A149-I153 WeakPolarHBondContact O-CD1 3.34Å; A149-I153 VanDerWaalsContact O-CG1 3.28Å; A149-I153 WeakPolarHBondContact O-CG1 3.23Å; A149-I153 PolarHBondContact O-N 2.89Å; G150-I153 PolarHBondContact O-N 3.43Å; M151-I153 VanDerWaalsContact C-N 3.34Å; M151-I153 PolarHBondContact O-N 3.24Å; I153-A155 VanDerWaalsContact C-N 3.31Å; I153-A155 PolarHBondContact O-N 3.09Å; I153-A156 WeakPolarHBondContact O-CB 3.36Å; I153-A156 PolarHBondContact O-N 3.45Å; I153-A156 VanDerWaalsContact O-N 3.09Å; I153-W157 VanDerWaalsContact O-CD1 3.29Å; I153-W157 PolarHBondContact O-N 2.76Å
154A97.6Very high95.5Very high51 Ų5164 Ų6442%0.42134%0.344SS..Hα-helixtrans-58.1-43179.400000111.9G150 M151 A156 W157 V158G150-A154 WeakPolarHBondContact O-CB 3.08Å; G150-A154 PolarHBondContact O-N 2.91Å; M151-A154 PolarHBondContact O-N 2.98Å; A154-A156 PolarHBondContact O-N 3.09Å; A154-W157 PolarHBondContact O-N 2.96Å; A154-V158 WeakPolarHBondContact O-CB 3.23Å; A154-V158 VanDerWaalsContact O-CG2 3.3Å; A154-V158 WeakPolarHBondContact O-CG2 3.35Å; A154-V158 PolarHBondContact O-N 2.94Å
155A97.6Very high95.9Very high57 Ų5762.1 Ų62.147%0.47134%0.337SS..Hα-helixtrans-61.6-40.317500000112.6M151 I153 L159M151-A155 VanDerWaalsContact O-CB 3.31Å; M151-A155 WeakPolarHBondContact O-CB 3.46Å; M151-A155 PolarHBondContact O-N 2.62Å; I153-A155 VanDerWaalsContact C-N 3.31Å; I153-A155 PolarHBondContact O-N 3.09Å; A155-L159 WeakPolarHBondContact O-CB 3.5Å; A155-L159 PolarHBondContact O-N 3.37Å
156A97.4Very high96.1Very high6 Ų661 Ų615%0.0533%0.332CS..Hα-helixtrans-63-43.9176.100000112.6M121 I125 M152 I153 A154 S160M121-A156 HydrophobicContact CB-CB 3.78Å; I125-A156 HydrophobicContact CD1-CB 3.84Å; M152-A156 PolarHBondContact O-N 3.2Å; M152-A156 VanDerWaalsContact O-N 3.09Å; I153-A156 WeakPolarHBondContact O-CB 3.36Å; I153-A156 PolarHBondContact O-N 3.45Å; I153-A156 VanDerWaalsContact O-N 3.09Å; A154-A156 PolarHBondContact O-N 3.09Å; A156-S160 VanDerWaalsContact O-CB 3.32Å; A156-S160 WeakPolarHBondContact O-CB 3.49Å; A156-S160 PolarHBondContact O-N 3.31Å; A156-S160 VanDerWaalsContact O-N 3.07Å; A156-S160 PolarHBondContact O-OG 3.5Å
157W98.6Very high96.4Very high63 Ų6359.2 Ų59.224%0.23932%0.323CS..Hα-helixtrans-67.7-46.7176.9-77.995.6000112.2S73 A77 I80 V115 A118 I153 A154 S160 F161S73-W157 PolarHBondContact OG-NE1 3.09Å; S73-W157 VanDerWaalsContact OG-NE1 3.15Å; A77-W157 HydrophobicContact CB-CH2 3.8Å; A77-W157 HydrophobicContact CB-CZ2 3.83Å; I80-W157 HydrophobicContact CD1-CH2 4.11Å; V115-W157 HydrophobicContact CG2-CH2 4.41Å; V115-W157 HydrophobicContact CG2-CZ3 4.08Å; A118-W157 HydrophobicContact CB-CD2 3.87Å; A118-W157 HydrophobicContact CB-CE3 3.87Å; A118-W157 HydrophobicContact CB-CG 4.41Å; A118-W157 HydrophobicContact CB-CH2 4.38Å; A118-W157 HydrophobicContact CB-CZ2 4.38Å; A118-W157 HydrophobicContact CB-CZ3 4.13Å; I153-W157 VanDerWaalsContact O-CD1 3.29Å; I153-W157 PolarHBondContact O-N 2.76Å; A154-W157 PolarHBondContact O-N 2.96Å; W157-S160 PolarHBondContact O-N 2.9Å; W157-F161 PolarHBondContact O-N 3.24Å
158V98.4Very high96.6Very high83 Ų8351.8 Ų51.850%0.50329%0.292SS..Hα-helixtrans-64.5-43.8179.5170.10000111.7A154 S160 F161 I162A154-V158 WeakPolarHBondContact O-CB 3.23Å; A154-V158 VanDerWaalsContact O-CG2 3.3Å; A154-V158 WeakPolarHBondContact O-CG2 3.35Å; A154-V158 PolarHBondContact O-N 2.94Å; V158-S160 VanDerWaalsContact C-N 3.35Å; V158-S160 PolarHBondContact O-N 3.16Å; V158-F161 PolarHBondContact O-N 3.07Å; V158-I162 HydrophobicContact CG1-CD1 3.65Å; V158-I162 HydrophobicContact CG1-CG1 4.41Å; V158-I162 VanDerWaalsContact O-CG1 3.32Å; V158-I162 WeakPolarHBondContact O-CG1 3.36Å; V158-I162 PolarHBondContact O-N 2.96Å
159L97.4Very high96.8Very high86 Ų8650.5 Ų50.545%0.4529%0.286SS..Hα-helixtrans-63.7-41.1176-178.361.3000111.4A155 F161 I162 L163A155-L159 WeakPolarHBondContact O-CB 3.5Å; A155-L159 PolarHBondContact O-N 3.37Å; L159-F161 VanDerWaalsContact C-N 3.35Å; L159-F161 PolarHBondContact O-N 3.44Å; L159-I162 PolarHBondContact O-N 2.77Å; L159-L163 HydrophobicContact CD1-CD1 3.91Å; L159-L163 HydrophobicContact CD1-CG 4.05Å; L159-L163 HydrophobicContact CG-CD1 3.85Å; L159-L163 HydrophobicContact CG-CG 4.39Å; L159-L163 WeakPolarHBondContact O-CB 3.27Å; L159-L163 VanDerWaalsContact O-CG 3.24Å; L159-L163 WeakPolarHBondContact O-CG 3.09Å; L159-L163 PolarHBondContact O-N 2.94Å
160S98.2Very high96.9Very high0 Ų055.9 Ų55.90%031%0.309CS..Hα-helixtrans-62.4-43175.9-570000111.7V114 N117 A118 A156 W157 V158 W164V114-S160 WeakPolarHBondContact O-CB 3.39Å; N117-S160 WeakPolarHBondContact ND2-CB 3.39Å; N117-S160 PolarHBondContact ND2-OG 3.41Å; A118-S160 VanDerWaalsContact CA-OG 3.31Å; A118-S160 WeakPolarHBondContact CA-OG 3.43Å; A118-S160 PolarHBondContact N-OG 2.82Å; A118-S160 VanDerWaalsContact N-OG 3.17Å; A156-S160 VanDerWaalsContact O-CB 3.32Å; A156-S160 WeakPolarHBondContact O-CB 3.49Å; A156-S160 PolarHBondContact O-N 3.31Å; A156-S160 VanDerWaalsContact O-N 3.07Å; A156-S160 PolarHBondContact O-OG 3.5Å; W157-S160 PolarHBondContact O-N 2.9Å; V158-S160 VanDerWaalsContact C-N 3.35Å; V158-S160 PolarHBondContact O-N 3.16Å; S160-W164 PolarHBondContact O-N 2.93Å
161F98.3Very high96.9Very high119 Ų11959.1 Ų59.152%0.52231%0.311SS..Hα-helixtrans-61-51.6176-175.8-94000111.7V114 W157 V158 L159 L163 W164 A165 P166V114-F161 HydrophobicContact CG1-CB 4.19Å; V114-F161 HydrophobicContact CG1-CD2 4.44Å; V114-F161 HydrophobicContact CG2-CD2 4.48Å; W157-F161 PolarHBondContact O-N 3.24Å; V158-F161 PolarHBondContact O-N 3.07Å; L159-F161 VanDerWaalsContact C-N 3.35Å; L159-F161 PolarHBondContact O-N 3.44Å; F161-L163 VanDerWaalsContact C-N 3.32Å; F161-L163 PolarHBondContact O-N 3.06Å; F161-W164 PolarHBondContact O-N 2.91Å; F161-A165 HydrophobicContact CD2-CB 3.81Å; F161-A165 HydrophobicContact CE1-CB 4.39Å; F161-A165 HydrophobicContact CE2-CB 3.6Å; F161-A165 HydrophobicContact CG-CB 4.29Å; F161-A165 HydrophobicContact CZ-CB 3.92Å; F161-A165 WeakPolarHBondContact O-CB 3.23Å; F161-A165 PolarHBondContact O-N 3.17Å; F161-P166 WeakPolarHBondContact O-CD 3.45Å
162I97.7Very high96.8Very high105 Ų10554.4 Ų54.454%0.53829%0.288SS..Hα-helixtrans-63.1-36.1-177.8-68.8169.8000112.2V158 L159 P166V158-I162 HydrophobicContact CG1-CD1 3.65Å; V158-I162 HydrophobicContact CG1-CG1 4.41Å; V158-I162 VanDerWaalsContact O-CG1 3.32Å; V158-I162 WeakPolarHBondContact O-CG1 3.36Å; V158-I162 PolarHBondContact O-N 2.96Å; L159-I162 PolarHBondContact O-N 2.77Å; I162-P166 WeakPolarHBondContact O-CD 3.33Å; I162-P166 WeakPolarHBondContact O-CG 3.31Å
163L95.5Very high96.7Very high93 Ų9359.2 Ų59.249%0.48731%0.308SS..Hα-helixtrans-73-38.7179.2-71.8171.9000113.3L159 F161L159-L163 HydrophobicContact CD1-CD1 3.91Å; L159-L163 HydrophobicContact CD1-CG 4.05Å; L159-L163 HydrophobicContact CG-CD1 3.85Å; L159-L163 HydrophobicContact CG-CG 4.39Å; L159-L163 WeakPolarHBondContact O-CB 3.27Å; L159-L163 VanDerWaalsContact O-CG 3.24Å; L159-L163 WeakPolarHBondContact O-CG 3.09Å; L159-L163 PolarHBondContact O-N 2.94Å; F161-L163 VanDerWaalsContact C-N 3.32Å; F161-L163 PolarHBondContact O-N 3.06Å
164W97.7Very high96.5Very high23 Ų2363.9 Ų63.99%0.08733%0.332CS..Hα-helixtrans-106.9-44.1-169-70.2102.9000114.6Y113 V114 N117 S160 F161 A167 I168 F189 F190 A203Y113-W164 HydrophobicContact CD1-CD2 4.25Å; Y113-W164 AromaticContact CD1-CE3 3.78Å; Y113-W164 HydrophobicContact CD1-CE3 3.78Å; Y113-W164 AromaticContact CD1-CH2 3.91Å; Y113-W164 HydrophobicContact CD1-CH2 3.91Å; Y113-W164 HydrophobicContact CD1-CZ2 4.37Å; Y113-W164 AromaticContact CD1-CZ3 3.59Å; Y113-W164 HydrophobicContact CD1-CZ3 3.59Å; Y113-W164 HydrophobicContact CE1-CH2 4.35Å; Y113-W164 HydrophobicContact CE1-CZ3 4.16Å; Y113-W164 HydrophobicContact CG-CE3 4.23Å; Y113-W164 HydrophobicContact CG-CZ3 4.46Å; V114-W164 HydrophobicContact CG2-CB 3.75Å; N117-W164 PolarHBondContact OD1-NE1 3.46Å; S160-W164 PolarHBondContact O-N 2.93Å; F161-W164 PolarHBondContact O-N 2.91Å; W164-A167 PolarHBondContact O-N 3.48Å; W164-I168 HydrophobicContact CB-CD1 4.37Å; W164-I168 HydrophobicContact CE3-CD1 4.15Å; W164-I168 WeakPolarHBondContact O-CB 3.46Å; W164-I168 WeakPolarHBondContact O-CG1 3.46Å; W164-I168 PolarHBondContact O-N 2.92Å; W164-F189 HydrophobicContact CE3-CZ 4.38Å; W164-F189 HydrophobicContact CZ3-CE2 4.4Å; W164-F189 HydrophobicContact CZ3-CZ 4.19Å; W164-F190 AromaticContact CH2-CZ 3.96Å; W164-F190 HydrophobicContact CH2-CZ 3.96Å; W164-F190 HydrophobicContact CZ3-CE1 4.43Å; W164-F190 AromaticContact CZ3-CZ 3.75Å; W164-F190 HydrophobicContact CZ3-CZ 3.75Å; W164-A203 HydrophobicContact CZ2-CB 3.92Å
165A97.4Very high96.2Very high3 Ų365.4 Ų65.43%0.02534%0.335CS..Hα-helixtrans-67-46.8-173.500000113.2A110 V114 F161 A167 I168 L169A110-A165 HydrophobicContact CB-CB 4.4Å; V114-A165 HydrophobicContact CG2-CB 4.04Å; F161-A165 HydrophobicContact CD2-CB 3.81Å; F161-A165 HydrophobicContact CE1-CB 4.39Å; F161-A165 HydrophobicContact CE2-CB 3.6Å; F161-A165 HydrophobicContact CG-CB 4.29Å; F161-A165 HydrophobicContact CZ-CB 3.92Å; F161-A165 WeakPolarHBondContact O-CB 3.23Å; F161-A165 PolarHBondContact O-N 3.17Å; A165-A167 VanDerWaalsContact C-N 3.31Å; A165-A167 PolarHBondContact O-N 2.95Å; A165-I168 PolarHBondContact O-N 3.42Å; A165-L169 HydrophobicContact CB-CD1 4.49Å; A165-L169 VanDerWaalsContact O-CB 3.31Å; A165-L169 WeakPolarHBondContact O-CB 3.3Å; A165-L169 VanDerWaalsContact O-CG 3.23Å; A165-L169 WeakPolarHBondContact O-CG 3.44Å; A165-L169 PolarHBondContact O-N 3.46Å
166P97.1Very high96Very high50 Ų5066.1 Ų66.133%0.32535%0.349SS..Hα-helixtrans-60.7-39.4174.9-24.434.7000113F161 I162 F170F161-P166 WeakPolarHBondContact O-CD 3.45Å; I162-P166 WeakPolarHBondContact O-CD 3.33Å; I162-P166 WeakPolarHBondContact O-CG 3.31Å; P166-F170 HydrophobicContact CB-CD2 4.13Å; P166-F170 WeakPolarHBondContact O-CB 3.39Å; P166-F170 PolarHBondContact O-N 3.1Å
167A95.7Very high95.7Very high30 Ų3067.4 Ų67.425%0.24836%0.362CS..Hα-helixtrans-66.6-43.1179.100000112W164 A165 W171 F189W164-A167 PolarHBondContact O-N 3.48Å; A165-A167 VanDerWaalsContact C-N 3.31Å; A165-A167 PolarHBondContact O-N 2.95Å; A167-W171 WeakPolarHBondContact O-CB 3.2Å; A167-F189 HydrophobicContact CB-CE1 3.75Å; A167-F189 HydrophobicContact CB-CZ 3.97Å; A167-F189 WeakPolarHBondContact O-CE1 3.34Å
168I96.5Very high95.5Very high15 Ų1567.9 Ų67.98%0.07736%0.364CS..Hα-helixtrans-73.4-45.2-179.3-67.7167.8000111.1L109 A110 Y113 W164 A165 I187 F189L109-I168 HydrophobicContact CB-CG2 3.83Å; A110-I168 HydrophobicContact CB-CB 4.34Å; A110-I168 HydrophobicContact CB-CG2 4.13Å; Y113-I168 HydrophobicContact CD2-CD1 4.38Å; Y113-I168 HydrophobicContact CG-CD1 4.1Å; W164-I168 HydrophobicContact CB-CD1 4.37Å; W164-I168 HydrophobicContact CE3-CD1 4.15Å; W164-I168 WeakPolarHBondContact O-CB 3.46Å; W164-I168 WeakPolarHBondContact O-CG1 3.46Å; W164-I168 PolarHBondContact O-N 2.92Å; A165-I168 PolarHBondContact O-N 3.42Å; I168-I187 HydrophobicContact CD1-CD1 3.63Å; I168-I187 HydrophobicContact CD1-CG1 4.28Å; I168-I187 HydrophobicContact CG1-CD1 3.88Å; I168-I187 HydrophobicContact CG1-CG1 4.14Å; I168-I187 HydrophobicContact CG1-CG2 4.39Å; I168-F189 HydrophobicContact CG1-CE1 3.9Å; I168-F189 HydrophobicContact CG1-CZ 4.17Å
169L96.1Very high95.2Very high41 Ų4167.9 Ų67.922%0.21536%0.364CS..Hα-helixtrans-76.2-41.1-174-61.1176000113.1D106 L107 A110 A165 Q172D106-L169 HydrophobicContact CB-CD2 3.91Å; L107-L169 HydrophobicContact CD2-CD2 4.34Å; A110-L169 HydrophobicContact CB-CD2 3.95Å; A110-L169 HydrophobicContact CB-CG 4.09Å; A165-L169 HydrophobicContact CB-CD1 4.49Å; A165-L169 VanDerWaalsContact O-CB 3.31Å; A165-L169 WeakPolarHBondContact O-CB 3.3Å; A165-L169 VanDerWaalsContact O-CG 3.23Å; A165-L169 WeakPolarHBondContact O-CG 3.44Å; A165-L169 PolarHBondContact O-N 3.46Å; L169-Q172 PolarHBondContact O-NE2 3.35Å
170F95.6Very high95.1Very high114 Ų11464.3 Ų64.350%0.535%0.346SS..Hα-helixtrans-102-9.5-167.9-56.4-57.6000115.8P166 Q172 F173 I174P166-F170 HydrophobicContact CB-CD2 4.13Å; P166-F170 WeakPolarHBondContact O-CB 3.39Å; P166-F170 PolarHBondContact O-N 3.1Å; F170-Q172 VanDerWaalsContact C-N 3.25Å; F170-Q172 PolarHBondContact O-N 3.25Å; F170-F173 HydrophobicContact CB-CD2 4.37Å; F170-F173 AromaticContact CD1-CD2 3.99Å; F170-F173 HydrophobicContact CD1-CD2 3.99Å; F170-F173 HydrophobicContact CD1-CE2 4.11Å; F170-F173 PolarHBondContact O-N 3.16Å; F170-I174 PolarHBondContact O-N 3.46Å
171W94.8Very high94.9Very high101 Ų10167.2 Ų67.238%0.38337%0.365SS..Hα-helixtrans-58.2-35.3-178.1-175.6-95.5000113.5A167 F173 I174 V175 F189A167-W171 WeakPolarHBondContact O-CB 3.2Å; W171-F173 VanDerWaalsContact C-N 3.26Å; W171-F173 PolarHBondContact O-N 3.04Å; W171-I174 HydrophobicContact CE3-CD1 4.44Å; W171-I174 PolarHBondContact O-N 3.28Å; W171-I174 VanDerWaalsContact O-N 3.13Å; W171-V175 HydrophobicContact CD2-CG2 4.37Å; W171-V175 HydrophobicContact CG-CG2 4.41Å; W171-V175 HydrophobicContact CZ2-CG2 4.23Å; W171-V175 WeakPolarHBondContact O-CG2 3.47Å; W171-V175 PolarHBondContact O-N 3Å; W171-F189 HydrophobicContact CB-CD1 4.32Å; W171-F189 HydrophobicContact CD2-CB 3.93Å; W171-F189 HydrophobicContact CG-CB 4.1Å; W171-F189 HydrophobicContact CG-CD1 4.25Å; W171-F189 HydrophobicContact CZ2-CB 4.22Å
172Q92.5Very high94.5Very high29 Ų2969.9 Ų69.914%0.13638%0.379CS..Hα-helixtrans-59.6-32.8174.463.8-161.8-41.900113.3D106 L169 F170 G176 G177 R178D106-Q172 PolarHBondContact OD2-NE2 2.96Å; L169-Q172 PolarHBondContact O-NE2 3.35Å; F170-Q172 VanDerWaalsContact C-N 3.25Å; F170-Q172 PolarHBondContact O-N 3.25Å; Q172-G176 PolarHBondContact O-N 2.9Å; Q172-G177 CarbonylContact O-C 3.48Å; Q172-G177 PolarHBondContact O-N 2.77Å; Q172-R178 HydrophobicContact CB-CB 4.38Å
173F93.3Very high94.2Very high148 Ų14870.2 Ų70.265%0.64938%0.376SS*.Hα-helixtrans-79.9-31.4174.6-51.9-68.9000112.4F170 W171 V175 G176F170-F173 HydrophobicContact CB-CD2 4.37Å; F170-F173 AromaticContact CD1-CD2 3.99Å; F170-F173 HydrophobicContact CD1-CD2 3.99Å; F170-F173 HydrophobicContact CD1-CE2 4.11Å; F170-F173 PolarHBondContact O-N 3.16Å; W171-F173 VanDerWaalsContact C-N 3.26Å; W171-F173 PolarHBondContact O-N 3.04Å; F173-V175 VanDerWaalsContact C-N 3.35Å; F173-G176 PolarHBondContact O-N 2.78Å
174I92.6Very high94.1Very high125 Ų12570 Ų7064%0.64137%0.373SS*.Hα-helixtrans-66.7-38.1175.4-62.2172.2000111F170 W171 G176F170-I174 PolarHBondContact O-N 3.46Å; W171-I174 HydrophobicContact CE3-CD1 4.44Å; W171-I174 PolarHBondContact O-N 3.28Å; W171-I174 VanDerWaalsContact O-N 3.13Å; I174-G176 VanDerWaalsContact C-N 3.31Å
175V91.9Very high94.1Very high82 Ų8269.2 Ų69.250%0.49737%0.371SS..THydrogen-bonded Turntrans-80.6-12.4175.3177.80000112.3W171 F173 G177W171-V175 HydrophobicContact CD2-CG2 4.37Å; W171-V175 HydrophobicContact CG-CG2 4.41Å; W171-V175 HydrophobicContact CZ2-CG2 4.23Å; W171-V175 WeakPolarHBondContact O-CG2 3.47Å; W171-V175 PolarHBondContact O-N 3Å; F173-V175 VanDerWaalsContact C-N 3.35Å; V175-G177 VanDerWaalsContact C-N 3.33Å
176G92.4Very high94Very high73 Ų7372.7 Ų72.775%0.75338%0.384SS*.THydrogen-bonded Turntrans78.112.2-177.700000114.8Q172 F173 I174Q172-G176 PolarHBondContact O-N 2.9Å; F173-G176 PolarHBondContact O-N 2.78Å; I174-G176 VanDerWaalsContact C-N 3.31Å
177G92.1Very high93.9Very high32 Ų3270.6 Ų70.633%0.3337%0.37SS..SBendtrans-176.2153.4178.800000113.7Q172 V175 Q188Q172-G177 CarbonylContact O-C 3.48Å; Q172-G177 PolarHBondContact O-N 2.77Å; V175-G177 VanDerWaalsContact C-N 3.33Å; G177-Q188 PolarHBondContact O-NE2 2.94Å
178R93.3Very high93.8Very high74 Ų7470.2 Ų70.228%0.27936%0.363SS..  trans-84.1127.4170-173-176.5-171.584.8-1.3109.4D106 Q172 V180D106-R178 IonicContact OD1-CZ 2.67Å; D106-R178 VanDerWaalsContact OD1-CZ 3.28Å; D106-R178 IonicContact OD1-NH1 2.93Å; D106-R178 PolarHBondContact OD1-NH1 3.22Å; D106-R178 IonicContact OD1-NH2 3.28Å; D106-R178 PolarHBondContact OD1-NH2 3.39Å; D106-R178 IonicContact OD2-CZ 2.77Å; D106-R178 IonicContact OD2-NH1 2.68Å; D106-R178 PolarHBondContact OD2-NH1 3.25Å; D106-R178 IonicContact OD2-NH2 3.82Å; Q172-R178 HydrophobicContact CB-CB 4.38Å; R178-V180 HydrophobicContact CG-CB 4.23Å; R178-V180 PolarHBondContact NE-O 3.38Å
179T94.1Very high93.5Very high83 Ų8370.6 Ų70.651%0.50936%0.364SS..  trans-105.7-2.817667.70000113.5Y186 Q188T179-Y186 PolarHBondContact O-OH 2.88Å; T179-Q188 WeakPolarHBondContact OG1-CG 3.48Å
180V94.6Very high93.3Very high10 Ų1070.2 Ų70.26%0.06136%0.361CS..SBendtrans-80.7120.4175.4-177.70000109.1R178 E184 Y186 Q188R178-V180 HydrophobicContact CG-CB 4.23Å; R178-V180 PolarHBondContact NE-O 3.38Å; V180-E184 HydrophobicContact CG1-CB 4.5Å; V180-Y186 HydrophobicContact CB-CE1 4.39Å; V180-Y186 HydrophobicContact CG1-CD1 4.01Å; V180-Y186 HydrophobicContact CG1-CE1 3.87Å; V180-Y186 HydrophobicContact CG2-CD2 4.21Å; V180-Y186 HydrophobicContact CG2-CE1 4.37Å; V180-Y186 HydrophobicContact CG2-CE2 3.84Å; V180-Q188 HydrophobicContact CG2-CB 3.98Å
181P93.9Very high93Very high61 Ų6168.5 Ų68.540%0.39636%0.363SS..  trans-58.3151.5178.1-2534.8000113.2K183 E184P181-K183 PolarHBondContact O-N 2.92Å; P181-K183 VanDerWaalsContact O-N 3.16Å; P181-E184 HydrophobicContact CB-CB 4.3Å; P181-E184 HydrophobicContact CB-CG 4.26Å; P181-E184 HydrophobicContact CG-CG 4.42Å; P181-E184 PolarHBondContact O-N 2.92Å
182E89.8Confident92.8Very high176 Ų17668 Ų6882%0.82237%0.368SS*.THydrogen-bonded Turntrans-59-32.5-175.2-59.1-170.8145.900114.3
183K91.2Very high92.7Very high112 Ų11267.9 Ų67.949%0.48737%0.372SS..THydrogen-bonded Turntrans-89.51-179.8-69.4-171.5-179.8-176.90113.4Y97 W98 P181Y97-K183 WeakPolarHBondContact CA-O 3.47Å; Y97-K183 WeakPolarHBondContact CB-O 3.46Å; Y97-K183 HydrophobicContact CD2-CB 4.46Å; Y97-K183 HydrophobicContact CD2-CG 4.37Å; W98-K183 PolarHBondContact N-O 3.2Å; P181-K183 PolarHBondContact O-N 2.92Å; P181-K183 VanDerWaalsContact O-N 3.16Å
184E93.9Very high92.6Very high88 Ų8864 Ų6441%0.41137%0.367SS..  trans-118.1157.6-178.3-67.1-176.3-179.700111.8V180 P181 Y186V180-E184 HydrophobicContact CG1-CB 4.5Å; P181-E184 HydrophobicContact CB-CB 4.3Å; P181-E184 HydrophobicContact CB-CG 4.26Å; P181-E184 HydrophobicContact CG-CG 4.42Å; P181-E184 PolarHBondContact O-N 2.92Å; E184-Y186 HydrophobicContact CB-CD1 4.32Å; E184-Y186 HydrophobicContact CB-CE1 4.33Å; E184-Y186 WeakPolarHBondContact OE2-CE1 3.43Å
185C96.6Very high92.7Very high7 Ų761 Ų615%0.04736%0.355CS..  trans-139.9108.7172.8-1740000112W98 C105 W108W98-C185 HydrophobicContact CB-CB 3.99Å; W98-C185 HydrophobicContact CD2-CB 3.77Å; W98-C185 HydrophobicContact CE3-CB 3.93Å; W98-C185 HydrophobicContact CG-CB 3.78Å; C105-C185 WeakPolarHBondContact CA-SG 3.39Å; C105-C185 HydrophobicContact CB-CB 3.87Å; C105-C185 WeakPolarHBondContact CB-SG 3.46Å; C105-C185 WeakPolarHBondContact SG-CA 3.32Å; C105-C185 WeakPolarHBondContact SG-CB 3.42Å; C105-C185 CovalentContact SG-SG 2.03Å; C105-C185 PolarHBondContact SG-SG 3.38Å; W108-C185 VanDerWaalsContact CE3-SG 3.51Å; W108-C185 HydrophobicContact CZ3-CB 4.12Å; W108-C185 VanDerWaalsContact CZ3-SG 3.52Å
186Y95.1Very high92.7Very high75 Ų7557.9 Ų57.929%0.29434%0.335SS..  trans-152.7165174.564.7-95.2000110.4L109 T179 V180 E184 Q188 S191L109-Y186 VanDerWaalsContact CD1-C 3.49Å; T179-Y186 PolarHBondContact O-OH 2.88Å; V180-Y186 HydrophobicContact CB-CE1 4.39Å; V180-Y186 HydrophobicContact CG1-CD1 4.01Å; V180-Y186 HydrophobicContact CG1-CE1 3.87Å; V180-Y186 HydrophobicContact CG2-CD2 4.21Å; V180-Y186 HydrophobicContact CG2-CE1 4.37Å; V180-Y186 HydrophobicContact CG2-CE2 3.84Å; E184-Y186 HydrophobicContact CB-CD1 4.32Å; E184-Y186 HydrophobicContact CB-CE1 4.33Å; E184-Y186 WeakPolarHBondContact OE2-CE1 3.43Å; Y186-Q188 PolarHBondContact O-N 2.95Å; Y186-S191 WeakPolarHBondContact CE2-OG 3.34Å
187I95.3Very high92.8Very high6 Ų656.9 Ų56.93%0.03131%0.31CS..  trans-75.2117.7-179.9-68.7176.3000110.5L109 Y113 I168 F189 F190L109-I187 HydrophobicContact CB-CG1 4.24Å; L109-I187 HydrophobicContact CD1-CG1 3.99Å; L109-I187 HydrophobicContact CD2-CG1 4.29Å; L109-I187 HydrophobicContact CG-CG1 4.41Å; Y113-I187 HydrophobicContact CD1-CD1 4.03Å; Y113-I187 HydrophobicContact CD2-CD1 3.68Å; Y113-I187 HydrophobicContact CE1-CD1 3.86Å; Y113-I187 HydrophobicContact CE2-CD1 3.48Å; Y113-I187 VanDerWaalsContact CE2-CD1 3.48Å; Y113-I187 HydrophobicContact CE2-CG1 4.48Å; Y113-I187 HydrophobicContact CG-CD1 3.95Å; I168-I187 HydrophobicContact CD1-CD1 3.63Å; I168-I187 HydrophobicContact CD1-CG1 4.28Å; I168-I187 HydrophobicContact CG1-CD1 3.88Å; I168-I187 HydrophobicContact CG1-CG1 4.14Å; I168-I187 HydrophobicContact CG1-CG2 4.39Å; I187-F189 VanDerWaalsContact C-N 3.31Å; I187-F189 HydrophobicContact CG2-CD1 3.44Å; I187-F189 VanDerWaalsContact CG2-CD1 3.44Å; I187-F189 HydrophobicContact CG2-CD2 3.99Å; I187-F189 HydrophobicContact CG2-CE1 3.28Å; I187-F189 HydrophobicContact CG2-CE2 3.86Å; I187-F189 HydrophobicContact CG2-CG 3.79Å; I187-F189 HydrophobicContact CG2-CZ 3.51Å; I187-F189 PolarHBondContact O-N 2.94Å; I187-F190 HydrophobicContact CB-CB 4.28Å; I187-F190 HydrophobicContact CB-CD2 3.77Å; I187-F190 HydrophobicContact CB-CE2 4.37Å; I187-F190 HydrophobicContact CB-CG 4.05Å; I187-F190 HydrophobicContact CD1-CD2 4.04Å; I187-F190 HydrophobicContact CD1-CE2 3.79Å; I187-F190 HydrophobicContact CD1-CZ 4.49Å; I187-F190 HydrophobicContact CG1-CD2 4.4Å; I187-F190 HydrophobicContact CG2-CB 4.34Å; I187-F190 HydrophobicContact CG2-CD1 4.29Å; I187-F190 HydrophobicContact CG2-CD2 4Å; I187-F190 HydrophobicContact CG2-CE2 4.45Å; I187-F190 HydrophobicContact CG2-CG 3.92Å; I187-F190 WeakPolarHBondContact O-CB 3.44Å; I187-F190 PolarHBondContact O-N 3.2Å
188Q93.4Very high93Very high22 Ų2257.1 Ų57.110%0.10331%0.313CS..G310 helixtrans-55.9-37.7-175.2-177.2163.3-36.900114.4G177 T179 V180 Y186 F190 S191G177-Q188 PolarHBondContact O-NE2 2.94Å; T179-Q188 WeakPolarHBondContact OG1-CG 3.48Å; V180-Q188 HydrophobicContact CG2-CB 3.98Å; Y186-Q188 PolarHBondContact O-N 2.95Å; Q188-F190 PolarHBondContact O-N 3.32Å; Q188-S191 PolarHBondContact O-N 3.14Å; Q188-S191 PolarHBondContact O-OG 2.84Å
189F91.4Very high93Very high23 Ų2355.2 Ų55.210%0.10131%0.31CS..G310 helixtrans-76.8-6.1178.563.3-96.6000114.2W164 A167 I168 W171 I187 V195W164-F189 HydrophobicContact CE3-CZ 4.38Å; W164-F189 HydrophobicContact CZ3-CE2 4.4Å; W164-F189 HydrophobicContact CZ3-CZ 4.19Å; A167-F189 HydrophobicContact CB-CE1 3.75Å; A167-F189 HydrophobicContact CB-CZ 3.97Å; A167-F189 WeakPolarHBondContact O-CE1 3.34Å; I168-F189 HydrophobicContact CG1-CE1 3.9Å; I168-F189 HydrophobicContact CG1-CZ 4.17Å; W171-F189 HydrophobicContact CB-CD1 4.32Å; W171-F189 HydrophobicContact CD2-CB 3.93Å; W171-F189 HydrophobicContact CG-CB 4.1Å; W171-F189 HydrophobicContact CG-CD1 4.25Å; W171-F189 HydrophobicContact CZ2-CB 4.22Å; I187-F189 VanDerWaalsContact C-N 3.31Å; I187-F189 HydrophobicContact CG2-CD1 3.44Å; I187-F189 VanDerWaalsContact CG2-CD1 3.44Å; I187-F189 HydrophobicContact CG2-CD2 3.99Å; I187-F189 HydrophobicContact CG2-CE1 3.28Å; I187-F189 HydrophobicContact CG2-CE2 3.86Å; I187-F189 HydrophobicContact CG2-CG 3.79Å; I187-F189 HydrophobicContact CG2-CZ 3.51Å; I187-F189 PolarHBondContact O-N 2.94Å; F189-V195 HydrophobicContact CD2-CG1 4.12Å
190F92.4Very high93.1Very high33 Ų3351.7 Ų51.715%0.14529%0.289CS..G310 helixtrans-88.5-1.2173.5-73.4-11.2000114.4Y113 W164 I187 Q188 N192 T196 T199Y113-F190 AromaticContact CE1-CE2 3.73Å; Y113-F190 HydrophobicContact CE1-CE2 3.73Å; Y113-F190 HydrophobicContact CE1-CZ 4.22Å; Y113-F190 AromaticContact CZ-CE2 3.99Å; W164-F190 AromaticContact CH2-CZ 3.96Å; W164-F190 HydrophobicContact CH2-CZ 3.96Å; W164-F190 HydrophobicContact CZ3-CE1 4.43Å; W164-F190 AromaticContact CZ3-CZ 3.75Å; W164-F190 HydrophobicContact CZ3-CZ 3.75Å; I187-F190 HydrophobicContact CB-CB 4.28Å; I187-F190 HydrophobicContact CB-CD2 3.77Å; I187-F190 HydrophobicContact CB-CE2 4.37Å; I187-F190 HydrophobicContact CB-CG 4.05Å; I187-F190 HydrophobicContact CD1-CD2 4.04Å; I187-F190 HydrophobicContact CD1-CE2 3.79Å; I187-F190 HydrophobicContact CD1-CZ 4.49Å; I187-F190 HydrophobicContact CG1-CD2 4.4Å; I187-F190 HydrophobicContact CG2-CB 4.34Å; I187-F190 HydrophobicContact CG2-CD1 4.29Å; I187-F190 HydrophobicContact CG2-CD2 4Å; I187-F190 HydrophobicContact CG2-CE2 4.45Å; I187-F190 HydrophobicContact CG2-CG 3.92Å; I187-F190 WeakPolarHBondContact O-CB 3.44Å; I187-F190 PolarHBondContact O-N 3.2Å; Q188-F190 PolarHBondContact O-N 3.32Å; F190-N192 PolarHBondContact O-N 3.49Å; F190-T196 VanDerWaalsContact CA-OG1 3.24Å; F190-T196 WeakPolarHBondContact CA-OG1 3.36Å; F190-T196 HydrophobicContact CB-CG2 4.17Å; F190-T196 WeakPolarHBondContact CB-OG1 3.15Å; F190-T196 HydrophobicContact CD1-CG2 3.99Å; F190-T196 HydrophobicContact CD2-CG2 4.02Å; F190-T196 HydrophobicContact CE1-CG2 4.31Å; F190-T196 HydrophobicContact CE2-CG2 4.35Å; F190-T196 HydrophobicContact CG-CG2 3.83Å; F190-T196 HydrophobicContact CZ-CG2 4.47Å; F190-T196 PolarHBondContact O-OG1 3.02Å; F190-T199 HydrophobicContact CE1-CG2 3.98Å; F190-T199 WeakPolarHBondContact CE1-OG1 3.4Å; F190-T199 WeakPolarHBondContact CZ-OG1 3.26Å
191S88Confident93.2Very high78 Ų7854.4 Ų54.455%0.54530%0.303SS..G310 helixtrans-60.1-21167.9-58.80000112.9Y186 Q188Y186-S191 WeakPolarHBondContact CE2-OG 3.34Å; Q188-S191 PolarHBondContact O-N 3.14Å; Q188-S191 PolarHBondContact O-OG 2.84Å
192N90.6Very high93.2Very high92 Ų9254.4 Ų54.449%0.49231%0.308SS..SBendtrans-96107.6169.1-175.7-32.1000110.3F190 A194 V195 T196F190-N192 PolarHBondContact O-N 3.49Å; N192-A194 PolarHBondContact O-N 2.85Å; N192-A194 VanDerWaalsContact O-N 3.14Å; N192-A194 WeakPolarHBondContact OD1-CB 3.37Å; N192-A194 PolarHBondContact OD1-N 2.94Å; N192-V195 HydrophobicContact CB-CB 4.26Å; N192-V195 HydrophobicContact CB-CG2 3.91Å; N192-V195 WeakPolarHBondContact O-CB 3.47Å; N192-V195 PolarHBondContact O-N 3.41Å; N192-T196 PolarHBondContact O-N 3.43Å; N192-T196 VanDerWaalsContact O-N 3.1Å; N192-T196 PolarHBondContact O-OG1 2.99Å
193A90.8Very high93.4Very high26 Ų2647 Ų4722%0.21528%0.276CS..Hα-helixtrans-56.6-31.9-177.400000114T196 F197 T447A193-T196 PolarHBondContact O-N 3.48Å; A193-F197 WeakPolarHBondContact O-CB 3.35Å; A193-F197 PolarHBondContact O-N 2.95Å; A193-T447 HydrophobicContact CB-CG2 4.25Å; A193-T447 WeakPolarHBondContact O-CG2 3.29Å
194A91.4Very high93.5Very high67 Ų6741.8 Ų41.855%0.55425%0.254SS*.Hα-helixtrans-69.5-33.317700000112.3N192 G198N192-A194 PolarHBondContact O-N 2.85Å; N192-A194 VanDerWaalsContact O-N 3.14Å; N192-A194 WeakPolarHBondContact OD1-CB 3.37Å; N192-A194 PolarHBondContact OD1-N 2.94Å; A194-G198 PolarHBondContact O-N 3.5Å
195V93.4Very high93.6Very high62 Ų6240.1 Ų40.138%0.37624%0.244SC..Hα-helixtrans-67.9-47.6171.41780000109.7F189 N192 F197 G198 T199F189-V195 HydrophobicContact CD2-CG1 4.12Å; N192-V195 HydrophobicContact CB-CB 4.26Å; N192-V195 HydrophobicContact CB-CG2 3.91Å; N192-V195 WeakPolarHBondContact O-CB 3.47Å; N192-V195 PolarHBondContact O-N 3.41Å; V195-F197 PolarHBondContact O-N 3.32Å; V195-G198 PolarHBondContact O-N 3Å; V195-G198 VanDerWaalsContact O-N 3.16Å; V195-T199 WeakPolarHBondContact O-CG2 3.47Å; V195-T199 PolarHBondContact O-N 2.96Å
196T93.6Very high93.6Very high15 Ų1544 Ų449%0.09226%0.264CS..Hα-helixtrans-56-48.7178.1-45.20000111.3F190 N192 A193 T199 A200 V443F190-T196 VanDerWaalsContact CA-OG1 3.24Å; F190-T196 WeakPolarHBondContact CA-OG1 3.36Å; F190-T196 HydrophobicContact CB-CG2 4.17Å; F190-T196 WeakPolarHBondContact CB-OG1 3.15Å; F190-T196 HydrophobicContact CD1-CG2 3.99Å; F190-T196 HydrophobicContact CD2-CG2 4.02Å; F190-T196 HydrophobicContact CE1-CG2 4.31Å; F190-T196 HydrophobicContact CE2-CG2 4.35Å; F190-T196 HydrophobicContact CG-CG2 3.83Å; F190-T196 HydrophobicContact CZ-CG2 4.47Å; F190-T196 PolarHBondContact O-OG1 3.02Å; N192-T196 PolarHBondContact O-N 3.43Å; N192-T196 VanDerWaalsContact O-N 3.1Å; N192-T196 PolarHBondContact O-OG1 2.99Å; A193-T196 PolarHBondContact O-N 3.48Å; T196-T199 PolarHBondContact O-N 3.31Å; T196-T199 PolarHBondContact O-OG1 2.96Å; T196-A200 PolarHBondContact O-N 3.34Å; T196-V443 HydrophobicContact CG2-CG1 3.85Å; T196-V443 HydrophobicContact CG2-CG2 4.45Å
197F94.8Very high93.6Very high52 Ų5240.7 Ų40.723%0.22825%0.251CS..Hα-helixtrans-68-37.9176.3179.4-121.3000113.3A193 V195 T199 A200 I201 Y205 V443 L444 T447A193-F197 WeakPolarHBondContact O-CB 3.35Å; A193-F197 PolarHBondContact O-N 2.95Å; V195-F197 PolarHBondContact O-N 3.32Å; F197-T199 VanDerWaalsContact C-N 3.32Å; F197-T199 PolarHBondContact O-N 3.21Å; F197-A200 WeakPolarHBondContact O-CB 3.29Å; F197-A200 PolarHBondContact O-N 2.89Å; F197-A200 VanDerWaalsContact O-N 3.15Å; F197-I201 HydrophobicContact CD1-CD1 4.04Å; F197-I201 HydrophobicContact CE1-CD1 3.64Å; F197-I201 HydrophobicContact CE1-CG1 4.33Å; F197-I201 HydrophobicContact CE2-CD1 4.32Å; F197-I201 HydrophobicContact CE2-CG1 4.1Å; F197-I201 HydrophobicContact CZ-CD1 3.78Å; F197-I201 HydrophobicContact CZ-CG1 4Å; F197-I201 WeakPolarHBondContact O-CG1 3.48Å; F197-I201 PolarHBondContact O-N 2.87Å; F197-Y205 HydrophobicContact CE2-CE2 4.18Å; F197-V443 HydrophobicContact CB-CG1 4.19Å; F197-L444 HydrophobicContact CD2-CB 4.28Å; F197-L444 HydrophobicContact CD2-CD1 4.35Å; F197-L444 HydrophobicContact CE1-CD1 4.31Å; F197-L444 HydrophobicContact CE2-CB 4.01Å; F197-L444 HydrophobicContact CE2-CD1 3.66Å; F197-L444 HydrophobicContact CE2-CG 4.35Å; F197-L444 HydrophobicContact CZ-CD1 3.64Å; F197-T447 HydrophobicContact CB-CG2 3.39Å; F197-T447 HydrophobicContact CD1-CG2 4.14Å; F197-T447 HydrophobicContact CG-CG2 3.86Å
198G95Very high93.6Very high37 Ų3741 Ų4138%0.38125%0.254SS..Hα-helixtrans-57.3-43.1172.100000112.7A194 V195 I201 A202A194-G198 PolarHBondContact O-N 3.5Å; V195-G198 PolarHBondContact O-N 3Å; V195-G198 VanDerWaalsContact O-N 3.16Å; G198-I201 PolarHBondContact O-N 3.28Å; G198-A202 PolarHBondContact O-N 3.07Å
199T94.6Very high93.7Very high35 Ų3543.8 Ų43.822%0.21527%0.268CS..Hα-helixtrans-69.5-36.6173.966.80000112.7F190 V195 T196 F197 I201 A202 A203F190-T199 HydrophobicContact CE1-CG2 3.98Å; F190-T199 WeakPolarHBondContact CE1-OG1 3.4Å; F190-T199 WeakPolarHBondContact CZ-OG1 3.26Å; V195-T199 WeakPolarHBondContact O-CG2 3.47Å; V195-T199 PolarHBondContact O-N 2.96Å; T196-T199 PolarHBondContact O-N 3.31Å; T196-T199 PolarHBondContact O-OG1 2.96Å; F197-T199 VanDerWaalsContact C-N 3.32Å; F197-T199 PolarHBondContact O-N 3.21Å; T199-I201 VanDerWaalsContact C-N 3.31Å; T199-I201 PolarHBondContact O-N 3.21Å; T199-A202 PolarHBondContact O-N 3.01Å; T199-A203 VanDerWaalsContact O-CB 3.26Å; T199-A203 WeakPolarHBondContact O-CB 3.35Å; T199-A203 PolarHBondContact O-N 3.44Å
200A95.2Very high93.9Very high9 Ų945.6 Ų45.67%0.07428%0.278CS..Hα-helixtrans-62.5-36.7174.100000112.3T196 F197 F204 Y205 V443T196-A200 PolarHBondContact O-N 3.34Å; F197-A200 WeakPolarHBondContact O-CB 3.29Å; F197-A200 PolarHBondContact O-N 2.89Å; F197-A200 VanDerWaalsContact O-N 3.15Å; A200-F204 WeakPolarHBondContact O-CA 3.3Å; A200-F204 WeakPolarHBondContact O-CB 3.45Å; A200-F204 PolarHBondContact O-N 2.91Å; A200-Y205 HydrophobicContact CB-CD2 4.47Å; A200-Y205 HydrophobicContact CB-CE2 4.32Å; A200-Y205 WeakPolarHBondContact O-CD2 3.25Å; A200-Y205 PolarHBondContact O-N 3.33Å; A200-V443 HydrophobicContact CB-CG1 4.02Å
201I95.9Very high93.9Very high67 Ų6744.3 Ų44.334%0.34427%0.273SS..Iπ-helixtrans-58.6-50.2172-69.4165.8000110.5F197 G198 T199 Y205 L206F197-I201 HydrophobicContact CD1-CD1 4.04Å; F197-I201 HydrophobicContact CE1-CD1 3.64Å; F197-I201 HydrophobicContact CE1-CG1 4.33Å; F197-I201 HydrophobicContact CE2-CD1 4.32Å; F197-I201 HydrophobicContact CE2-CG1 4.1Å; F197-I201 HydrophobicContact CZ-CD1 3.78Å; F197-I201 HydrophobicContact CZ-CG1 4Å; F197-I201 WeakPolarHBondContact O-CG1 3.48Å; F197-I201 PolarHBondContact O-N 2.87Å; G198-I201 PolarHBondContact O-N 3.28Å; T199-I201 VanDerWaalsContact C-N 3.31Å; T199-I201 PolarHBondContact O-N 3.21Å; I201-Y205 HydrophobicContact CG1-CD2 4.48Å; I201-Y205 PolarHBondContact O-N 3.32Å; I201-L206 HydrophobicContact CG2-CD1 4.17Å; I201-L206 HydrophobicContact CG2-CG 4.1Å; I201-L206 WeakPolarHBondContact O-CB 3.43Å; I201-L206 WeakPolarHBondContact O-CG 3.43Å; I201-L206 PolarHBondContact O-N 3.11Å
202A94.4Very high94.1Very high61 Ų6145.2 Ų45.250%0.50427%0.271SS..Iπ-helixtrans-69.9-42.6-177.200000113.7G198 T199 P207G198-A202 PolarHBondContact O-N 3.07Å; T199-A202 PolarHBondContact O-N 3.01Å; A202-P207 VanDerWaalsContact O-CD 3.25Å; A202-P207 WeakPolarHBondContact O-CD 3.28Å
203A93.4Very high94.2Very high19 Ų1946.5 Ų46.516%0.15727%0.274CS..Iπ-helixtrans-91.8-21.6-171.100000114.4W164 T199W164-A203 HydrophobicContact CZ2-CB 3.92Å; T199-A203 VanDerWaalsContact O-CB 3.26Å; T199-A203 WeakPolarHBondContact O-CB 3.35Å; T199-A203 PolarHBondContact O-N 3.44Å
204F94.8Very high94.3Very high4 Ų446.1 Ų46.12%0.01827%0.268CS..Iπ-helixtrans-124.1-61.6180178.8-107.1000113.4A200 L206 P207 V208 F432 W436 N440A200-F204 WeakPolarHBondContact O-CA 3.3Å; A200-F204 WeakPolarHBondContact O-CB 3.45Å; A200-F204 PolarHBondContact O-N 2.91Å; F204-L206 PolarHBondContact O-N 2.96Å; F204-P207 WeakPolarHBondContact O-CD 3.4Å; F204-V208 HydrophobicContact CD2-CG2 3.87Å; F204-V208 HydrophobicContact CE1-CG2 4.25Å; F204-V208 HydrophobicContact CE2-CG2 3.52Å; F204-V208 HydrophobicContact CG-CG2 4.37Å; F204-V208 HydrophobicContact CZ-CG2 3.74Å; F204-V208 WeakPolarHBondContact O-CB 3.34Å; F204-V208 VanDerWaalsContact O-CG2 3.32Å; F204-V208 WeakPolarHBondContact O-CG2 3.43Å; F204-V208 PolarHBondContact O-N 3.5Å; F204-F432 HydrophobicContact CD2-CE1 4.16Å; F204-F432 AromaticContact CD2-CZ 3.96Å; F204-F432 HydrophobicContact CD2-CZ 3.96Å; F204-F432 AromaticContact CE2-CE1 3.85Å; F204-F432 HydrophobicContact CE2-CE1 3.85Å; F204-F432 AromaticContact CE2-CZ 3.97Å; F204-F432 HydrophobicContact CE2-CZ 3.97Å; F204-W436 HydrophobicContact CD2-CB 4.11Å; F204-W436 AromaticContact CD2-CE3 3.97Å; F204-W436 HydrophobicContact CD2-CE3 3.97Å; F204-W436 HydrophobicContact CE2-CB 3.44Å; F204-W436 VanDerWaalsContact CE2-CB 3.44Å; F204-W436 HydrophobicContact CE2-CE3 4.4Å; F204-W436 HydrophobicContact CE2-CG 4.46Å; F204-W436 HydrophobicContact CZ-CB 4.06Å; F204-N440 VanDerWaalsContact CB-OD1 3.29Å; F204-N440 WeakPolarHBondContact CB-OD1 3.46Å; F204-N440 HydrophobicContact CD1-CB 3.47Å; F204-N440 VanDerWaalsContact CD1-CB 3.47Å; F204-N440 WeakPolarHBondContact CD1-OD1 3.47Å; F204-N440 HydrophobicContact CE1-CB 3.67Å; F204-N440 HydrophobicContact CG-CB 4.22Å; F204-N440 VanDerWaalsContact CG-CG 3.46Å; F204-N440 WeakPolarHBondContact CG-OD1 3.02Å
205Y95.8Very high94.1Very high53 Ų5346.3 Ų46.321%0.20826%0.255CS..Iπ-helixtrans-65.2-45.6-168.9-69.7-82.3000113F197 A200 I201 V208 I209 N440F197-Y205 HydrophobicContact CE2-CE2 4.18Å; A200-Y205 HydrophobicContact CB-CD2 4.47Å; A200-Y205 HydrophobicContact CB-CE2 4.32Å; A200-Y205 WeakPolarHBondContact O-CD2 3.25Å; A200-Y205 PolarHBondContact O-N 3.33Å; I201-Y205 HydrophobicContact CG1-CD2 4.48Å; I201-Y205 PolarHBondContact O-N 3.32Å; Y205-V208 PolarHBondContact O-N 3.42Å; Y205-I209 WeakPolarHBondContact O-CB 3.24Å; Y205-I209 WeakPolarHBondContact O-CD1 3.38Å; Y205-I209 VanDerWaalsContact O-CG1 3.24Å; Y205-I209 WeakPolarHBondContact O-CG1 3.34Å; Y205-I209 PolarHBondContact O-N 2.98Å; Y205-N440 HydrophobicContact CE2-CB 4.03Å; Y205-N440 VanDerWaalsContact OH-C 3.29Å; Y205-N440 PolarHBondContact OH-O 3.39Å; Y205-N440 VanDerWaalsContact OH-O 3.06Å
206L95.9Very high93.9Very high89 Ų8950.4 Ų50.447%0.46626%0.264SS..Hα-helixtrans-62.3-48.9176.3-72.6176.8000112.1I201 F204 V208 I209 I210I201-L206 HydrophobicContact CG2-CD1 4.17Å; I201-L206 HydrophobicContact CG2-CG 4.1Å; I201-L206 WeakPolarHBondContact O-CB 3.43Å; I201-L206 WeakPolarHBondContact O-CG 3.43Å; I201-L206 PolarHBondContact O-N 3.11Å; F204-L206 PolarHBondContact O-N 2.96Å; L206-V208 PolarHBondContact O-N 3.22Å; L206-I209 PolarHBondContact O-N 3.27Å; L206-I210 VanDerWaalsContact O-CG1 3.3Å; L206-I210 WeakPolarHBondContact O-CG1 3.22Å; L206-I210 PolarHBondContact O-N 3.49Å
207P95.3Very high93.7Very high5 Ų553.4 Ų53.43%0.03228%0.276CS..Hα-helixtrans-51.3-46.9169.1-33.538.3000114.6V120 L124 A202 F204 I210 M211V120-P207 HydrophobicContact CG1-CB 3.6Å; V120-P207 HydrophobicContact CG1-CG 3.96Å; L124-P207 HydrophobicContact CD1-CB 3.82Å; L124-P207 HydrophobicContact CD1-CG 4.06Å; L124-P207 HydrophobicContact CD2-CB 4.43Å; L124-P207 HydrophobicContact CG-CB 4.22Å; A202-P207 VanDerWaalsContact O-CD 3.25Å; A202-P207 WeakPolarHBondContact O-CD 3.28Å; F204-P207 WeakPolarHBondContact O-CD 3.4Å; P207-I210 PolarHBondContact O-N 3.23Å; P207-M211 HydrophobicContact CB-CE 4.42Å; P207-M211 VanDerWaalsContact O-CG 3.3Å; P207-M211 WeakPolarHBondContact O-CG 3.36Å; P207-M211 PolarHBondContact O-N 2.76Å
208V94.8Very high93.3Very high13 Ų1351.4 Ų51.48%0.07927%0.268CS..Hα-helixtrans-62.9-45.9179.1167.50000111.5F204 Y205 L206 I210 M211 I212 F432 V433F204-V208 HydrophobicContact CD2-CG2 3.87Å; F204-V208 HydrophobicContact CE1-CG2 4.25Å; F204-V208 HydrophobicContact CE2-CG2 3.52Å; F204-V208 HydrophobicContact CG-CG2 4.37Å; F204-V208 HydrophobicContact CZ-CG2 3.74Å; F204-V208 WeakPolarHBondContact O-CB 3.34Å; F204-V208 VanDerWaalsContact O-CG2 3.32Å; F204-V208 WeakPolarHBondContact O-CG2 3.43Å; F204-V208 PolarHBondContact O-N 3.5Å; Y205-V208 PolarHBondContact O-N 3.42Å; L206-V208 PolarHBondContact O-N 3.22Å; V208-I210 VanDerWaalsContact C-N 3.34Å; V208-I210 PolarHBondContact O-N 2.95Å; V208-M211 HydrophobicContact CG2-CE 4.35Å; V208-M211 PolarHBondContact O-N 3.33Å; V208-I212 HydrophobicContact CG1-CD1 3.63Å; V208-I212 HydrophobicContact CG1-CG1 4.35Å; V208-I212 WeakPolarHBondContact O-CB 3.4Å; V208-I212 VanDerWaalsContact O-CG1 3.28Å; V208-I212 WeakPolarHBondContact O-CG1 3.22Å; V208-I212 PolarHBondContact O-N 3.01Å; V208-F432 HydrophobicContact CG2-CD1 4.47Å; V208-F432 HydrophobicContact CG2-CE1 3.77Å; V208-V433 HydrophobicContact CG1-CG2 4.02Å; V208-V433 HydrophobicContact CG2-CG2 4.22Å
209I95.8Very high92.8Very high79 Ų7950.9 Ų50.941%0.40526%0.259SS..Hα-helixtrans-59.1-45.7176.9-70.1163.5000110.5Y205 L206 I212 Q213Y205-I209 WeakPolarHBondContact O-CB 3.24Å; Y205-I209 WeakPolarHBondContact O-CD1 3.38Å; Y205-I209 VanDerWaalsContact O-CG1 3.24Å; Y205-I209 WeakPolarHBondContact O-CG1 3.34Å; Y205-I209 PolarHBondContact O-N 2.98Å; L206-I209 PolarHBondContact O-N 3.27Å; I209-I212 PolarHBondContact O-N 3.46Å; I209-Q213 WeakPolarHBondContact O-CB 3.33Å; I209-Q213 VanDerWaalsContact O-CG 3.3Å; I209-Q213 WeakPolarHBondContact O-CG 3.41Å; I209-Q213 PolarHBondContact O-N 2.67Å
210I95.7Very high92.3Very high62 Ų6256.2 Ų56.232%0.31828%0.275SS..Hα-helixtrans-61.5-47177.1-68164.6000110.8L124 F128 L206 P207 V208 I212 Q213 L214L124-I210 HydrophobicContact CD2-CB 4.03Å; L124-I210 HydrophobicContact CD2-CG2 3.69Å; F128-I210 HydrophobicContact CE2-CG2 3.9Å; F128-I210 HydrophobicContact CZ-CG2 3.77Å; L206-I210 VanDerWaalsContact O-CG1 3.3Å; L206-I210 WeakPolarHBondContact O-CG1 3.22Å; L206-I210 PolarHBondContact O-N 3.49Å; P207-I210 PolarHBondContact O-N 3.23Å; V208-I210 VanDerWaalsContact C-N 3.34Å; V208-I210 PolarHBondContact O-N 2.95Å; I210-I212 PolarHBondContact O-N 3.22Å; I210-Q213 PolarHBondContact O-N 3.49Å; I210-L214 HydrophobicContact CG2-CD1 3.83Å; I210-L214 HydrophobicContact CG2-CG 4.3Å; I210-L214 WeakPolarHBondContact O-CB 3.48Å; I210-L214 VanDerWaalsContact O-CG 3.26Å; I210-L214 WeakPolarHBondContact O-CG 3.4Å; I210-L214 PolarHBondContact O-N 2.9Å
211M92.5Very high91.7Very high5 Ų556.7 Ų56.73%0.02528%0.279CS..Hα-helixtrans-63-39.5178.8-70.1-172.8-6900112.4L123 L124 P207 V208 Y215 L429 F432L123-M211 HydrophobicContact CB-SD 3.78Å; L124-M211 HydrophobicContact CD2-CG 3.72Å; L124-M211 HydrophobicContact CD2-SD 4.46Å; L124-M211 HydrophobicContact CG-CG 4.29Å; L124-M211 HydrophobicContact CG-SD 4.4Å; P207-M211 HydrophobicContact CB-CE 4.42Å; P207-M211 VanDerWaalsContact O-CG 3.3Å; P207-M211 WeakPolarHBondContact O-CG 3.36Å; P207-M211 PolarHBondContact O-N 2.76Å; V208-M211 HydrophobicContact CG2-CE 4.35Å; V208-M211 PolarHBondContact O-N 3.33Å; M211-Y215 VanDerWaalsContact O-CB 3.26Å; M211-Y215 WeakPolarHBondContact O-CB 3Å; M211-Y215 PolarHBondContact O-N 2.96Å; M211-L429 HydrophobicContact CB-CD2 4.21Å; M211-L429 HydrophobicContact CE-CD2 4.46Å; M211-L429 HydrophobicContact CG-CD2 4.26Å; M211-L429 HydrophobicContact SD-CD2 3.46Å; M211-L429 WeakPolarHBondContact SD-CD2 3.46Å; M211-F432 HydrophobicContact CE-CD1 3.94Å; M211-F432 HydrophobicContact CE-CE1 3.64Å
212I92.2Very high90.7Very high98 Ų9855.1 Ų55.150%0.50327%0.273SS..Hα-helixtrans-64.6-45.2174.8-69.9169.8000111.1V208 I209 I210 Y215 W216V208-I212 HydrophobicContact CG1-CD1 3.63Å; V208-I212 HydrophobicContact CG1-CG1 4.35Å; V208-I212 WeakPolarHBondContact O-CB 3.4Å; V208-I212 VanDerWaalsContact O-CG1 3.28Å; V208-I212 WeakPolarHBondContact O-CG1 3.22Å; V208-I212 PolarHBondContact O-N 3.01Å; I209-I212 PolarHBondContact O-N 3.46Å; I210-I212 PolarHBondContact O-N 3.22Å; I212-Y215 PolarHBondContact O-N 3Å; I212-W216 WeakPolarHBondContact O-CB 3.45Å; I212-W216 PolarHBondContact O-N 3.44Å
213Q93.2Very high89.9Confident119 Ų11959.8 Ų59.856%0.55628%0.282SS*.Hα-helixtrans-62.3-47.5177.2-72.7178.81500111.9I209 I210 Y215 W216 Q217I209-Q213 WeakPolarHBondContact O-CB 3.33Å; I209-Q213 VanDerWaalsContact O-CG 3.3Å; I209-Q213 WeakPolarHBondContact O-CG 3.41Å; I209-Q213 PolarHBondContact O-N 2.67Å; I210-Q213 PolarHBondContact O-N 3.49Å; Q213-Y215 VanDerWaalsContact C-N 3.33Å; Q213-Y215 PolarHBondContact O-N 2.66Å; Q213-W216 PolarHBondContact O-N 2.96Å; Q213-Q217 WeakPolarHBondContact O-CG 3.33Å; Q213-Q217 PolarHBondContact O-N 3.35Å
214L92.1Very high88.8Confident17 Ų1762.2 Ų62.29%0.08930%0.298CS..Hα-helixtrans-59.8-43.9176-68.4171.4000111.2F128 Y131 I210 Q217 I218F128-L214 HydrophobicContact CD1-CD1 3.81Å; F128-L214 HydrophobicContact CD1-CD2 3.97Å; F128-L214 HydrophobicContact CD2-CD1 3.98Å; F128-L214 HydrophobicContact CE1-CD1 3.8Å; F128-L214 HydrophobicContact CE1-CD2 3.84Å; F128-L214 HydrophobicContact CE1-CG 4.38Å; F128-L214 HydrophobicContact CE2-CD1 3.97Å; F128-L214 HydrophobicContact CG-CD1 3.9Å; F128-L214 HydrophobicContact CZ-CD1 3.89Å; Y131-L214 HydrophobicContact CD1-CD2 4.09Å; Y131-L214 HydrophobicContact CD2-CD2 3.91Å; Y131-L214 HydrophobicContact CG-CD2 3.69Å; I210-L214 HydrophobicContact CG2-CD1 3.83Å; I210-L214 HydrophobicContact CG2-CG 4.3Å; I210-L214 WeakPolarHBondContact O-CB 3.48Å; I210-L214 VanDerWaalsContact O-CG 3.26Å; I210-L214 WeakPolarHBondContact O-CG 3.4Å; I210-L214 PolarHBondContact O-N 2.9Å; L214-Q217 PolarHBondContact O-N 3.25Å; L214-I218 WeakPolarHBondContact O-CD1 3.29Å; L214-I218 VanDerWaalsContact O-CG1 3.29Å; L214-I218 WeakPolarHBondContact O-CG1 3.4Å; L214-I218 PolarHBondContact O-N 3.04Å
215Y87.6Confident87.4Confident71 Ų7167.7 Ų67.728%0.27832%0.319SS..Hα-helixtrans-62.7-43.8177177.8-108.3000112.3M211 I212 Q213 Q217 I218 S219 T422 M426M211-Y215 VanDerWaalsContact O-CB 3.26Å; M211-Y215 WeakPolarHBondContact O-CB 3Å; M211-Y215 PolarHBondContact O-N 2.96Å; I212-Y215 PolarHBondContact O-N 3Å; Q213-Y215 VanDerWaalsContact C-N 3.33Å; Q213-Y215 PolarHBondContact O-N 2.66Å; Y215-Q217 VanDerWaalsContact C-N 3.34Å; Y215-Q217 PolarHBondContact O-N 2.99Å; Y215-I218 PolarHBondContact O-N 3.43Å; Y215-S219 PolarHBondContact O-N 3Å; Y215-S219 PolarHBondContact O-OG 3.46Å; Y215-S219 VanDerWaalsContact O-OG 3.13Å; Y215-T422 HydrophobicContact CE2-CG2 4.39Å; Y215-M426 HydrophobicContact CE2-CB 3.92Å; Y215-M426 HydrophobicContact CE2-CG 4.12Å; Y215-M426 PolarHBondContact OH-SD 2.85Å
216W89.1Confident86Confident149 Ų14967.5 Ų67.556%0.56432%0.323SS*.Hα-helixtrans-59.3-43.4175.2-177.282.8000111.9I212 Q213 S219 R220I212-W216 WeakPolarHBondContact O-CB 3.45Å; I212-W216 PolarHBondContact O-N 3.44Å; Q213-W216 PolarHBondContact O-N 2.96Å; W216-S219 PolarHBondContact O-N 2.99Å; W216-R220 VanDerWaalsContact CH2-NH1 3.34Å; W216-R220 WeakPolarHBondContact O-CB 3.24Å; W216-R220 PolarHBondContact O-N 3.11Å
217Q89.6Confident84.3Confident77 Ų7769.8 Ų69.836%0.3633%0.329SS..Hα-helixtrans-66-41.1175.9-64.5-72.214.700112.3Y131 Q213 L214 Y215 S219 R220 A221Y131-Q217 HydrophobicContact CD2-CB 4.11Å; Y131-Q217 HydrophobicContact CE2-CB 3.76Å; Y131-Q217 HydrophobicContact CE2-CG 4.35Å; Q213-Q217 WeakPolarHBondContact O-CG 3.33Å; Q213-Q217 PolarHBondContact O-N 3.35Å; L214-Q217 PolarHBondContact O-N 3.25Å; Y215-Q217 VanDerWaalsContact C-N 3.34Å; Y215-Q217 PolarHBondContact O-N 2.99Å; Q217-S219 VanDerWaalsContact C-N 3.35Å; Q217-S219 PolarHBondContact O-N 3.24Å; Q217-R220 PolarHBondContact O-N 3.13Å; Q217-A221 WeakPolarHBondContact O-CB 3.36Å; Q217-A221 PolarHBondContact O-N 3.08Å
218I86.8Confident82.5Confident10 Ų1077.7 Ų77.75%0.05136%0.363CS..Hα-helixtrans-58.9-45.9172.6-72.6157.9000110.6R130 Y131 V134 L214 Y215 A221 S222 T422R130-I218 HydrophobicContact CB-CD1 4.19Å; Y131-I218 HydrophobicContact CD2-CG1 4.46Å; V134-I218 HydrophobicContact CG2-CG2 4.35Å; L214-I218 WeakPolarHBondContact O-CD1 3.29Å; L214-I218 VanDerWaalsContact O-CG1 3.29Å; L214-I218 WeakPolarHBondContact O-CG1 3.4Å; L214-I218 PolarHBondContact O-N 3.04Å; Y215-I218 PolarHBondContact O-N 3.43Å; I218-A221 PolarHBondContact O-N 3.21Å; I218-S222 WeakPolarHBondContact O-CB 3.37Å; I218-S222 PolarHBondContact O-N 3.33Å; I218-T422 HydrophobicContact CG2-CG2 3.79Å
219S83.8Confident80.8Confident27 Ų2783.2 Ų83.219%0.18939%0.392CS..Hα-helixtrans-63-41.2176.4-63.30000112.2Y215 W216 Q217 S222 K223Y215-S219 PolarHBondContact O-N 3Å; Y215-S219 PolarHBondContact O-OG 3.46Å; Y215-S219 VanDerWaalsContact O-OG 3.13Å; W216-S219 PolarHBondContact O-N 2.99Å; Q217-S219 VanDerWaalsContact C-N 3.35Å; Q217-S219 PolarHBondContact O-N 3.24Å; S219-S222 PolarHBondContact O-N 2.99Å; S219-K223 WeakPolarHBondContact O-CG 3.36Å; S219-K223 PolarHBondContact O-N 3.32Å
220R85.2Confident78.8Confident147 Ų14785.2 Ų85.256%0.55540%0.404SS*.Hα-helixtrans-63.3-45.4175.9-174.3176.1178.5170.5-2111.5W216 Q217 S222 K223 S224W216-R220 VanDerWaalsContact CH2-NH1 3.34Å; W216-R220 WeakPolarHBondContact O-CB 3.24Å; W216-R220 PolarHBondContact O-N 3.11Å; Q217-R220 PolarHBondContact O-N 3.13Å; R220-S222 PolarHBondContact O-N 3.09Å; R220-K223 PolarHBondContact O-N 3.16Å; R220-S224 PolarHBondContact O-N 3.25Å; R220-S224 PolarHBondContact O-OG 2.87Å
221A81.4Confident76.8Confident18 Ų1891.4 Ų91.415%0.14942%0.423CS..Hα-helixtrans-65.4-35.4176.500000113V134 Q217 I218 S224 R225V134-A221 HydrophobicContact CG1-CB 3.83Å; Q217-A221 WeakPolarHBondContact O-CB 3.36Å; Q217-A221 PolarHBondContact O-N 3.08Å; I218-A221 PolarHBondContact O-N 3.21Å; A221-S224 PolarHBondContact O-OG 3.4Å; A221-S224 VanDerWaalsContact O-OG 3.07Å; A221-R225 WeakPolarHBondContact O-CG 3.26Å; A221-R225 PolarHBondContact O-N 3.13Å
222S76.3Confident74.8Confident34 Ų34100.5 Ų100.524%0.23846%0.462CS..Hα-helixtrans-67.3-43.1173.5-172.80000111.9I218 S219 R220 V226I218-S222 WeakPolarHBondContact O-CB 3.37Å; I218-S222 PolarHBondContact O-N 3.33Å; S219-S222 PolarHBondContact O-N 2.99Å; R220-S222 PolarHBondContact O-N 3.09Å; S222-V226 PolarHBondContact O-N 3.38Å
223K76.7Confident72.8Confident159 Ų159100.7 Ų100.769%0.69147%0.47SS*.Hα-helixtrans-66.7-40.1176.5-73.4176.9180-179.50112.6S219 R220 V226 K227S219-K223 WeakPolarHBondContact O-CG 3.36Å; S219-K223 PolarHBondContact O-N 3.32Å; R220-K223 PolarHBondContact O-N 3.16Å; K223-V226 PolarHBondContact O-N 2.84Å; K223-K227 PolarHBondContact O-N 3.01Å
224S69.5Low70.4Confident70 Ų70100.7 Ų100.749%0.4948%0.483SS..Hα-helixtrans-66.2-40-17967.60000112.7R220 A221 V226 K227 K228R220-S224 PolarHBondContact O-N 3.25Å; R220-S224 PolarHBondContact O-OG 2.87Å; A221-S224 PolarHBondContact O-OG 3.4Å; A221-S224 VanDerWaalsContact O-OG 3.07Å; S224-V226 PolarHBondContact O-N 3.34Å; S224-K227 PolarHBondContact O-N 3.46Å; S224-K228 PolarHBondContact O-N 3.28Å
225R66.7Low68Low120 Ų120103.4 Ų103.445%0.45352%0.515SS..Hα-helixtrans-57.9-47.1173.1-69.9176.7-170.1-77.5-0.3111.5V134 A221 K227 K228 D229V134-R225 PolarHBondContact O-NH2 3.21Å; A221-R225 WeakPolarHBondContact O-CG 3.26Å; A221-R225 PolarHBondContact O-N 3.13Å; R225-K227 VanDerWaalsContact C-N 3.35Å; R225-K227 PolarHBondContact O-N 3.5Å; R225-K228 PolarHBondContact O-N 2.95Å; R225-K228 VanDerWaalsContact O-N 3.11Å; R225-D229 PolarHBondContact O-N 2.69Å
226V65Low65.8Low48 Ų48105.3 Ų105.329%0.29154%0.539SS..Hα-helixtrans-63.3-37.2176.6176.10000112.4S222 K223 S224 K228 N230 K419S222-V226 PolarHBondContact O-N 3.38Å; K223-V226 PolarHBondContact O-N 2.84Å; S224-V226 PolarHBondContact O-N 3.34Å; V226-K228 VanDerWaalsContact C-N 3.31Å; V226-K228 PolarHBondContact O-N 3.45Å; V226-N230 WeakPolarHBondContact O-CB 3.38Å; V226-N230 PolarHBondContact O-N 2.76Å; V226-K419 VanDerWaalsContact CG2-NZ 3.32Å
227K60.2Low63.5Low137 Ų137105.3 Ų105.360%0.59655%0.55SS**Hα-helixtrans-70.3-25.6175.2-165.9172.5-177.5176.70112.7K223 S224 R225 R231K223-K227 PolarHBondContact O-N 3.01Å; S224-K227 PolarHBondContact O-N 3.46Å; R225-K227 VanDerWaalsContact C-N 3.35Å; R225-K227 PolarHBondContact O-N 3.5Å; K227-R231 WeakPolarHBondContact O-CG 3.49Å; K227-R231 PolarHBondContact O-N 3.49Å
228K58.6Low61.3Low172 Ų172107.5 Ų107.575%0.74857%0.571SS**Hα-helixtrans-78.3-42.5174.4-163.6171.2-176.5175.90112S224 R225 V226 R231S224-K228 PolarHBondContact O-N 3.28Å; R225-K228 PolarHBondContact O-N 2.95Å; R225-K228 VanDerWaalsContact O-N 3.11Å; V226-K228 VanDerWaalsContact C-N 3.31Å; V226-K228 PolarHBondContact O-N 3.45Å; K228-R231 PolarHBondContact O-N 2.87Å
229D58.5Low59.1Low128 Ų128115.4 Ų115.468%0.68461%0.608SS**Hα-helixtrans-58.9-52.7171.5-93.4-9.8000111.4R225 R231 K232R225-D229 PolarHBondContact O-N 2.69Å; D229-R231 PolarHBondContact O-N 3.22Å; D229-K232 PolarHBondContact O-N 3.35Å
230N53.7Low57Low121 Ų121119.8 Ų119.865%0.64764%0.635SS**THydrogen-bonded Turntrans-64.9-7.9-179.4-74.6-17.2000114V226 P233V226-N230 WeakPolarHBondContact O-CB 3.38Å; V226-N230 PolarHBondContact O-N 2.76Å; N230-P233 WeakPolarHBondContact O-CD 3.48Å
231R53.6Low54.7Low193 Ų193121 Ų12173%0.72865%0.652SS**THydrogen-bonded Turntrans-92.5-5.1172.6-86.4178.6165.2-173.2-7.5114K227 K228 D229 P233K227-R231 WeakPolarHBondContact O-CG 3.49Å; K227-R231 PolarHBondContact O-N 3.49Å; K228-R231 PolarHBondContact O-N 2.87Å; D229-R231 PolarHBondContact O-N 3.22Å; R231-P233 WeakPolarHBondContact O-CD 3.26Å
232K51.8Low52.6Low196 Ų196127.8 Ų127.885%0.85269%0.685SS**  trans-10269.8167.1-77.1-164.2168.8-165.10113.3D229D229-K232 PolarHBondContact O-N 3.35Å
233P48.7Very low50.9Low102 Ų102132.2 Ų132.266%0.66271%0.713SS**  trans-13250.615541.8-29.7000112.5N230 R231N230-P233 WeakPolarHBondContact O-CD 3.48Å; R231-P233 WeakPolarHBondContact O-CD 3.26Å
234S43.6Very low48.9Very low119 Ų119128.2 Ų128.283%0.83272%0.716SS**  trans-152.976.2159.8-158.70000109.6
235G41.5Very low47.2Very low74 Ų74134.5 Ų134.576%0.76374%0.738SS**PPolyproline II helixtrans-88.8122.215800000106.5
236S41.9Very low45.7Very low111 Ų111139.8 Ų139.878%0.77676%0.758SS**PPolyproline II helixtrans-61137.9175.736.20000110.4
237N39.7Very low44.1Very low149 Ų149148.7 Ų148.780%0.79779%0.786SS**PPolyproline II helixtrans-65.6130.1157.4-70.4-21.2000107.1E239N237-E239 PolarHBondContact O-N 2.03Å; N237-E239 VanDerWaalsContact O-N 3.15Å
238P45.1Very low42.6Very low123 Ų123150 Ų15080%0.79980%0.795SS**  trans-71.6104.7163.629-30.1000107.8
239E39.9Very low41.4Very low176 Ų176147.1 Ų147.182%0.82280%0.796SS**PPolyproline II helixtrans-73.5133.7175.3-161.4161.8133.600109.6N237 L241N237-E239 PolarHBondContact O-N 2.03Å; N237-E239 VanDerWaalsContact O-N 3.15Å; E239-L241 PolarHBondContact O-N 2.96Å
240P40.3Very low40.1Very low118 Ų118147.7 Ų147.777%0.76681%0.805SS**PPolyproline II helixtrans-68.4116.2-175.9-20.133.1000111.9L242P240-L242 PolarHBondContact O-N 3.03Å
241L35.3Very low39.4Very low174 Ų174147.2 Ų147.291%0.91181%0.808SS**PPolyproline II helixtrans-62.8121.9171.5-79161.3000110.6E239E239-L241 PolarHBondContact O-N 2.96Å
242L38.4Very low38.3Very low160 Ų160147.6 Ų147.684%0.83882%0.815SS**  trans-110.2140.4161.3-74.6175000109.4P240P240-L242 PolarHBondContact O-N 3.03Å
243P39.5Very low37.7Very low127 Ų127144.2 Ų144.283%0.82581%0.813SS**  trans-87.2129.2-169.132.4-34.3000113.6
244G35.8Very low37Very low74 Ų74146 Ų14676%0.76382%0.817SS**  trans96.6106.8142.500000118.1
245Q33.6Very low36.4Very low203 Ų203147.6 Ų147.695%0.94982%0.816SS**  -148.8146.8122.4-114.8175.511.500111.1
246R33.9Very low36.1Very low230 Ų230149.9 Ų149.987%0.86881%0.811SS**  trans-107.4132.2-175.1-179.4-167.1-164.3-176.16.8108.7
247R32.1Very low35.6Very low235 Ų235152.2 Ų152.289%0.88782%0.815SS**  trans-158.9156.4157.7-116.4165.5-171.91762.3112.3
248E29.7Very low35.5Very low165 Ų165151.5 Ų151.577%0.77182%0.816SS**  trans-86.1171-159.4-67.1107134.500116.9
249S32.8Very low35.6Very low112 Ų112151.8 Ų151.878%0.78382%0.817SS**  trans-87.7134.7176.253.50000113.4
250T30.8Very low35Very low140 Ų140146.3 Ų146.386%0.85981%0.808SS**  trans-147.3134.7154.6-15.20000110.1
251P38.4Very low34.5Very low110 Ų110149.8 Ų149.871%0.71481%0.814SS**  trans-108.1163.5-17739-33.7000114.4
252K31.8Very low34.3Very low201 Ų201150 Ų15087%0.87482%0.816SS**  trans70.5165.1163-78.2178.7-178-178.40115.2
253P38.9Very low33.9Very low126 Ų126145.9 Ų145.982%0.81881%0.813SS**  cis-120.317613.142-28.9000117
254N34.3Very low33.5Very low138 Ų138144.1 Ų144.174%0.73881%0.809SS**  trans-103.9146.4167178.961000108.3
255N30.6Very low33.4Very low154 Ų154148.7 Ų148.782%0.82481%0.81SS**  trans-158.4155.2163.6-124-5.2000113.1
256N35Very low33.2Very low122 Ų122142.9 Ų142.965%0.65279%0.792SS**  trans-94158.8-173.4-51.1-30.6000111.9
257N32.3Very low33.2Very low160 Ų160139.3 Ų139.386%0.85679%0.785SS**  177160.6112.1-86.8-13.4000113.9
258V37.7Very low33.1Very low134 Ų134134.1 Ų134.181%0.81278%0.775SS**  trans-132.3138.5179.1169.30000104.6
259P45.6Very low33.5Very low128 Ų128134.2 Ų134.283%0.83178%0.775SS**  -158.2-17083.942.7-20.3000117.2
260G28.8Very low33.4Very low62 Ų62134.8 Ų134.864%0.63977%0.774SS**  trans102.898.4176.600000111.7
261E28.6Very low33.7Very low191 Ų191131.6 Ų131.689%0.89376%0.762SS**  69.2111.162-63-167.6114.500114.4
262D31.1Very low33.5Very low177 Ų177133.9 Ų133.995%0.94777%0.768SS**  179159.8124-108.1-28.3000113.3
263G30.5Very low33.5Very low74 Ų74131.9 Ų131.976%0.76377%0.767SS**  trans100.4103.8150.200000119.8
264A32.2Very low33.1Very low90 Ų90128.5 Ų128.574%0.74476%0.755SS**  trans-67.4170.3167.900000112.8
265H32.2Very low33.1Very low170 Ų170127 Ų12779%0.78776%0.762SS**  -173.8155.650.1-128.7-72000113.1
266S30.6Very low33Very low81 Ų81127.4 Ų127.457%0.56676%0.764SS**  trans50.3145.1141.8-76.30000123.1
267Q33.6Very low32.9Very low155 Ų155129.4 Ų129.472%0.72477%0.77SS**  cis-171.5177.6-14.4-136.7158.4-2300112
268N30.7Very low33Very low126 Ų126129 Ų12967%0.67476%0.762SS**  trans76.3118.4168.3-54.5-10.7000116
269Q36.8Very low32.7Very low168 Ų168128.9 Ų128.979%0.78576%0.757SS**  74.7140.151.7-62.5175.8-2.300112.7
270T31.6Very low32Very low124 Ų124125.9 Ų125.976%0.76175%0.749SS**  cis-123144.51642.60000112.4
271A36.8Very low32.1Very low73 Ų73131.5 Ų131.560%0.60376%0.756SS**  67.9132.17000000114.2
272D33.7Very low32.1Very low158 Ų158128.9 Ų128.985%0.84575%0.748SS**  cis-139.8-165.2-9.9-76.9-44.1000108.1
273D32.4Very low32.1Very low159 Ų159128.9 Ų128.985%0.8574%0.742SS**  cis-158.2174.514.4-168.440.1000107.3
274G30.9Very low32.1Very low55 Ų55133.3 Ų133.357%0.56775%0.748SS**  cis175.7-159.58.600000115
275A33.2Very low31.9Very low107 Ų107132.7 Ų132.788%0.88475%0.751SS**  trans35.6113.8166.700000120.7
276N28.5Very low31.8Very low161 Ų161134.8 Ų134.886%0.86176%0.757SS**  trans-156-176.5174.8-162.4-3.2000110.9
277Q33.5Very low31.5Very low165 Ų165134 Ų13477%0.77176%0.762SS**  trans87.3151.1-179.9-56.7-179.60.400116.1
278H34.3Very low32.2Very low152 Ų152132.4 Ų132.470%0.70477%0.765SS**  cis-162.7167.7-12-114.2-61.4000107.2
279D31.4Very low32.2Very low131 Ų131131.5 Ų131.570%0.70177%0.769SS**  cis-128.9-110.6-10.3-167.557.1000110.6
280G29.8Very low32.1Very low65 Ų65128.7 Ų128.767%0.6777%0.767SS**  cis129.8146.5-8.600000114.2
281K31.4Very low32Very low180 Ų180127.9 Ų127.978%0.78377%0.767SS**  cis-167.7166.8-23.9-159.3-175178.5174.80108.1
282L29.7Very low31.8Very low136 Ų136129.2 Ų129.271%0.71278%0.778SS**  trans72.7154.3163.8-60.3167.3000117.4
283Q31.5Very low31.5Very low177 Ų177126.5 Ų126.583%0.82778%0.777SS**  cis-158-167.7-22.9-133.6176.29.300113.3
284N28.5Very low31.3Very low167 Ų167126.3 Ų126.389%0.89378%0.776SS**  trans-84.8160.8-165.2-86.7-22.7000119.1
285G29.5Very low31.2Very low77 Ų77130.6 Ų130.679%0.79479%0.791SS**  trans122.5158.7147.400000116.5
286K28.7Very low31Very low214 Ų214133.6 Ų133.693%0.9379%0.787SS**  cis-165167.6-13.4-158.7173.2-178.4-179.20109.3
287G24.9Very low30.9Very low65 Ų65131.1 Ų131.167%0.6778%0.778SS**  trans-79.8-155.5175.100000114.7
288P49.3Very low30.5Very low120 Ų120132.2 Ų132.278%0.77978%0.783SS**  cis-150.8-16729.342.8-20.5000118.5
289S30.8Very low30.2Very low108 Ų108128.5 Ų128.576%0.75579%0.786SS**  trans66.115015647.30000119.9
290S33.4Very low30Very low108 Ų108129.9 Ų129.976%0.75579%0.793SS**  cis179.7161.5-8.447.80000109.1
291S30.1Very low29.9Very low108 Ų108131.7 Ų131.776%0.75580%0.796SS**  cis-177.1150.2-1750.90000111.8
292A31.6Very low29.8Very low100 Ų100130.1 Ų130.183%0.82680%0.801SS**  trans66.8122154.800000122.9
293A27.9Very low29.7Very low101 Ų101128 Ų12884%0.83580%0.803SS**  trans-168.6143.2136.800000109.1
294D28.6Very low29.6Very low155 Ų155129.5 Ų129.583%0.82981%0.807SS**  trans-108.1158.6-166.7-53.1-78.6000114.8
295V29Very low29.4Very low145 Ų145130.6 Ų130.688%0.87981%0.806SS**  176.6156.6126.2151.30000110.7
296E28Very low29.1Very low170 Ų170134.3 Ų134.379%0.79481%0.808SS**  trans-67.1174.4-170.5-55.4172.5160.300114.1
297T26.9Very low28.9Very low110 Ų110130.7 Ų130.768%0.67581%0.809SS**  cis-158.8153.730.3-45.70000111.7
298E25.5Very low29.1Very low187 Ų187131.9 Ų131.987%0.87481%0.812SS**  trans32.8138.2160.9-68.1172.5167.600121.6
299G27.6Very low28.2Very low75 Ų75132.4 Ų132.477%0.77382%0.815SS**  cis100.9123.714.100000112
300D27.4Very low28Very low159 Ų159131.9 Ų131.985%0.8582%0.818SS**  cis-148.1-158.1-8-170.81.6000108.9
301S28.6Very low27.7Very low103 Ų103135.9 Ų135.972%0.7282%0.824SS**  trans-106.5164.6-144.9500000117.2
302V27.6Very low27.4Very low148 Ų148140.1 Ų140.190%0.89783%0.832SS**PPolyproline II helixtrans-82.6121.3-170.2176.40000113.1
303A28.9Very low27.3Very low91 Ų91144.7 Ų144.775%0.75283%0.834SS**PPolyproline II helixtrans-93.8155.1164.800000112.3
304K28.1Very low27.2Very low208 Ų208148.6 Ų148.690%0.90484%0.835SS**PPolyproline II helixtrans-92.4144.8178.3-65.6165-178.1153.20111.1
305E25.3Very low27Very low190 Ų190147.2 Ų147.289%0.88884%0.837SS**  trans-138.4162.2153.7-160.2155.5-144.900112.6
306N23.8Very low26.9Very low156 Ų156145.1 Ų145.183%0.83483%0.828SS**  trans-102.7149.1179-60.2-89.8000109.8
307C24.2Very low27Very low138 Ų138144.4 Ų144.493%0.93283%0.83SS**  trans-112.8137.1165.8-110.10000112.1
308A27.5Very low26.9Very low90 Ų90145.4 Ų145.474%0.74483%0.832SS**PPolyproline II helixtrans-94.5167.5173.600000110.2
309P31.4Very low27Very low130 Ų130141.1 Ų141.184%0.84482%0.822SS**PPolyproline II helixtrans-83.1143.7-17533.4-33.5000112.4
310A25.9Very low27Very low98 Ų98144 Ų14481%0.8183%0.825SS**PPolyproline II helixtrans-99.9135.9165.700000110.7
311E27.9Very low26.9Very low192 Ų192141.9 Ų141.990%0.89782%0.822SS**  trans-113.4129157.3-68.7-174.7155.900106.6
312E24.5Very low26.7Very low196 Ų196140.3 Ų140.392%0.91682%0.822SS**  trans-135.2163.4165.2-75.3-154.813400111
313K28.4Very low26.7Very low197 Ų197138.3 Ų138.386%0.85782%0.815SS**  trans-110.1169.8-169.2-91.8-174.5173.9-176.70112.8
314E26.1Very low26.6Very low183 Ų183141 Ų14186%0.85582%0.822SS**  trans-43.1137.8170.7-57.6157.8116.100114
315S24.3Very low26.6Very low125 Ų125135.2 Ų135.287%0.87481%0.813SS**  -136.4159.112882.30000109.3
316S27.8Very low26.6Very low101 Ų101130.4 Ų130.471%0.70681%0.806SS**  trans-137.8139.6-177.158.60000109.3
317N28.8Very low26.9Very low156 Ų156127.2 Ų127.283%0.83480%0.796SS**  trans167.1153.4158.4-86.8-9.8000107.7
318D26.4Very low27.1Very low131 Ų131126.7 Ų126.770%0.70178%0.784SS**  cis-157.9158.1-32.2-162.3-14.2000107.1
319S27.2Very low27.2Very low97 Ų97129.3 Ų129.368%0.67878%0.781SS**  trans31.6128.6154.3-66.10000121.6
320T26.4Very low27.1Very low135 Ų135130 Ų13083%0.82877%0.77SS**  -170.2124.3110.2-77.40000113.7
321S25.7Very low27.1Very low114 Ų114130.1 Ų130.180%0.79776%0.757SS**  trans21136.5147-154.60000123.6
322G24.7Very low27.2Very low70 Ų70127.8 Ų127.872%0.72275%0.746SS**  trans117.5143.5137.400000117.1
323S27.7Very low27.2Very low107 Ų107126.7 Ų126.775%0.74874%0.741SS**  cis179.9133.9-26.1-113.10000108.6
324V27.2Very low27.3Very low146 Ų146124.8 Ų124.889%0.88574%0.735SS**  trans67.9148.3159176.60000114
325A27.7Very low27.4Very low87 Ų87122 Ų12272%0.71973%0.731SS**  cis-136.8163.713.900000114.2
326A26.2Very low27.8Very low90 Ų90119.6 Ų119.674%0.74472%0.718SS**  trans-88.9179.5146.900000108.1
327S28.1Very low28Very low89 Ų89120.6 Ų120.662%0.62273%0.725SS**  cis178165.137.354.30000111.2
328N29.6Very low28.3Very low126 Ų126117.8 Ų117.867%0.67472%0.724SS**  trans71153.9144.6-68.2-1.5000118.4
329Q30Very low28.6Very low146 Ų146116 Ų11668%0.68273%0.727SS**  cis-165.4154.7-5.7-118.8168.7-10.800112.3
330K27.7Very low28.8Very low143 Ų143118.3 Ų118.362%0.62273%0.732SS**  trans54161.7138.4-77-178142.1-76.50120.9E332K330-E332 IonicContact NZ-OE2 3.22Å; K330-E332 PolarHBondContact NZ-OE2 3.45Å
331D27.2Very low29Very low101 Ų101116.8 Ų116.854%0.5473%0.727SS.*  cis-146.9153-1.1-106-20.5000111.1
332E29.4Very low29.2Very low143 Ų143116.7 Ų116.767%0.66873%0.726SS**  54.814394.8-55.4-166.799.500114.9K330K330-E332 IonicContact NZ-OE2 3.22Å; K330-E332 PolarHBondContact NZ-OE2 3.45Å
333E25.3Very low29.6Very low173 Ų173117.5 Ų117.581%0.80873%0.726SS**  cis-119.9166.628.8-69.1172.4100.400113.5
334Q29.4Very low29.6Very low157 Ų157121.8 Ų121.873%0.73473%0.734SS**  63.4140.453-54.5-157.433.200114.4
335V28.7Very low29.7Very low126 Ų126119.4 Ų119.476%0.76473%0.73SS**  -167164.859.3160.90000108.9
336A33.4Very low29.8Very low73 Ų73121.1 Ų121.160%0.60373%0.731SS**  cis-176.6-175.1-36.200000110.3
337S31.6Very low29.9Very low122 Ų122126 Ų12685%0.85374%0.739SS**  trans74.6154.216780.20000118.6
338A33.9Very low29.9Very low97 Ų97130.5 Ų130.580%0.80275%0.75SS**  cis-177.2168.2-24.400000107.1
339A33.4Very low29.8Very low94 Ų94131.5 Ų131.578%0.77776%0.755SS**  cis-150.6-152.4-6.800000106.4
340N30.8Very low30.3Very low146 Ų146130.9 Ų130.978%0.78176%0.763SS**  cis-163171.1-5.7-156.4-7.4000110
341S31.7Very low30.3Very low103 Ų103134.8 Ų134.872%0.7277%0.774SS**  trans62.2154.9158.868.30000119
342S29.3Very low30.4Very low112 Ų112137.6 Ų137.678%0.78378%0.784SS**  cis179157.2-18.550.20000108
343A32.4Very low30.3Very low86 Ų86140.8 Ų140.871%0.71179%0.79SS**  cis-169.5-168.9-17.500000108.5
344E28.4Very low30.5Very low197 Ų197136.7 Ų136.792%0.92179%0.786SS**  trans66.7150.4165.8-64-164.6133.100119.3
345A30.5Very low30.4Very low96 Ų96138.6 Ų138.679%0.79379%0.792SS**  cis-155.5165.4-17.800000113.5
346T28.1Very low30.6Very low123 Ų123137.6 Ų137.676%0.75580%0.797SS**  trans-68.5149.4-168.2-48.20000118.6
347Q29.1Very low30.3Very low194 Ų194137.9 Ų137.991%0.90781%0.807SS**  -178.5178.5124.6-97.2-179.526.900115.4
348Q27.2Very low30.3Very low182 Ų182136 Ų13685%0.8581%0.807SS**  trans-125.8158.6-149.5-67.7179.4-22.900118.2
349L27.4Very low30.2Very low148 Ų148136.6 Ų136.678%0.77581%0.805SS**  trans-14.3150.1155.7-90.3138.7000120.1R351L349-R351 HydrophobicContact CD2-CB 4.4Å
350P42.3Very low30.1Very low133 Ų133140.5 Ų140.586%0.86480%0.804SS**  -137.5-15878.737.8-20.7000116.8
351R26.6Very low30.2Very low224 Ų224142 Ų14285%0.84581%0.812SS**  trans-141.6139.2-139.7170.5-168.2-174.1-175.74.7113.8L349L349-R351 HydrophobicContact CD2-CB 4.4Å
352Q30.5Very low30Very low160 Ų160143 Ų14375%0.74881%0.814SS**  trans148.2155152.9-87.7-170.589.800111.5
353R26.6Very low29.8Very low210 Ų210143.5 Ų143.579%0.79282%0.816SS**  cis-171.8151.6-17.4178.1174.7-174.7177.30.7110.2
354A29Very low29.8Very low88 Ų88146.9 Ų146.973%0.72782%0.82SS**  trans68.6157.9166.100000117.6
355K28.4Very low29.6Very low196 Ų196147 Ų14785%0.85282%0.817SS**  cis-159.4143-12.5-127.3-179.7-179.8-179.50110.7
356A31.1Very low29.5Very low106 Ų106149.5 Ų149.588%0.87682%0.816SS**  trans53.8150154.100000120.6
357G28.1Very low29.4Very low79 Ų79152.8 Ų152.881%0.81482%0.82SS**  cis167119.3-8.300000112.5
358G31.1Very low29.4Very low83 Ų83149.6 Ų149.686%0.85681%0.814SS**  trans-91.4144177.800000113.6
359S31.2Very low29.5Very low108 Ų108150.6 Ų150.676%0.75582%0.815SS**  trans-167.2147.2-178.9-161.80000110.7
360K33.4Very low29.6Very low176 Ų176149 Ų14977%0.76582%0.816SS**  cis-160.8152.7-23.7-113172.9-172.1174.60107.4
361L31.2Very low29.3Very low179 Ų179148.3 Ų148.394%0.93781%0.812SS**  trans-79.5138.7154.7-126.276.4000108.2
362T29.3Very low29.3Very low124 Ų124147.5 Ų147.576%0.76181%0.814SS**  trans-140.9123.6173.7-270000111.1
363C25.1Very low29.2Very low122 Ų122142.9 Ų142.982%0.82481%0.81SS**  trans-84.5141.2172.6-175.30000110K365C363-K365 PolarHBondContact O-N 2.94Å
364I31.2Very low29.2Very low156 Ų156140.1 Ų140.180%0.881%0.811SS**  trans-82.5114.7178-60.5175.5000109
365K24.1Very low29.1Very low199 Ų199145.6 Ų145.687%0.86581%0.814SS**  trans-107.6104.4173.6-167.7168.3-173.6170.70109.8C363C363-K365 PolarHBondContact O-N 2.94Å
366I29.3Very low29Very low149 Ų149147 Ų14776%0.76482%0.816SS**  trans-66.3135.6176.3-59.3172.8000108.9
367K25.2Very low28.9Very low192 Ų192147.8 Ų147.884%0.83581%0.81SS**  trans-140.7111.7169.7-168.2170.1-172.8176.10109.7
368T28.6Very low29.4Very low127 Ų127149.3 Ų149.378%0.77981%0.805SS**  trans-74.5144.217639.40000111.3
369K30.1Very low29.2Very low204 Ų204150.3 Ų150.389%0.88780%0.799SS**  trans-141138.2156.7-88.5-160.9170.3-166.30108.3
370S29.6Very low29Very low113 Ų113152.7 Ų152.779%0.7980%0.803SS**  trans-118.5141.1174.7172.40000108.8
371P35.7Very low28.8Very low120 Ų120149 Ų14978%0.77981%0.806SS**  trans-107.3122.5163.933-21.6000112
372K26.9Very low28.6Very low206 Ų206147.1 Ų147.190%0.89680%0.802SS**  trans-82.8156.4139.9-57.5178.1178.9-176.60106.8
373G27.4Very low28.5Very low63 Ų63147.4 Ų147.465%0.64980%0.803SS**  cis172.3179.6-1.900000110.3
374D26.4Very low28.6Very low153 Ų153150.2 Ų150.282%0.81880%0.804SS**  trans97.6111.3158.2-51.4-18.6000120.9
375Y27.1Very low28.8Very low203 Ų203149.6 Ų149.680%0.79680%0.801SS**  trans38121.4145.8-71.6-89.9000123.4
376Y26.5Very low29.1Very low225 Ų225146.3 Ų146.388%0.88280%0.797SS**  -16416199.4-100.5-74.6000110.7
377T29.1Very low29.5Very low123 Ų123144.2 Ų144.276%0.75579%0.793SS**  trans-145.1173.8175.7600000109.2
378P39.1Very low29.6Very low111 Ų111141.1 Ų141.172%0.72179%0.791SS**  cis-126180-7.342.4-28.8000113.7
379S26.9Very low29.8Very low104 Ų104141.1 Ų141.173%0.72779%0.791SS**  trans177.5125.1133.3-83.60000115.2
380N27.6Very low30.2Very low157 Ų157140 Ų14084%0.8479%0.788SS**  trans39.7109.6137.1-53.2-9.4000121.6
381A28.9Very low30.5Very low98 Ų98146.4 Ų146.481%0.8180%0.796SS**  trans-154.2112.7138.900000111.5
382T27.6Very low30.4Very low141 Ų141148.6 Ų148.687%0.86580%0.795SS**  trans1.6126.4163.748.50000120.7
383V26.9Very low31.2Very low129 Ų129146.1 Ų146.178%0.78279%0.792SS**  trans-78.5140.1152173.30000109.2I385V383-I385 HydrophobicContact CG1-CD1 3.98Å; V383-I385 HydrophobicContact CG1-CG1 3.87Å
384E26.5Very low31.9Very low181 Ų181150.9 Ų150.985%0.84680%0.797SS**  trans-132.3126163-169.8170.2-127.200109.7
385I35.3Very low32.8Very low144 Ų144148 Ų14874%0.73879%0.785SS**  trans-138.6106.9176.9-59.7174.3000108.4V383V383-I385 HydrophobicContact CG1-CD1 3.98Å; V383-I385 HydrophobicContact CG1-CG1 3.87Å
386V30.7Very low33.5Very low130 Ų130141.5 Ų141.579%0.78877%0.773SS**  trans-135124.3162.2-176.90000108.1
387P37.2Very low34.2Very low104 Ų104140.5 Ų140.568%0.67577%0.768SS**  trans-97.3154.5-177.536.6-33.9000112.8
388T27.5Very low34.6Very low128 Ų128143 Ų14379%0.78577%0.768SS**  trans-170.5119131.811.30000113.9
389T32.8Very low35Very low126 Ų126143.9 Ų143.977%0.77377%0.765SS**  trans53.7159.3139.748.30000123.8
390E37.8Very low35.9Very low180 Ų180144.7 Ų144.784%0.84177%0.765SS**  trans69.565.2158.9-60.6-114.9120.100120.1
391R37Very low36.3Very low249 Ų249146 Ų14694%0.9476%0.764SS**  175.487.9127.4-98.3169.4172.9-167.4-0.4114.1
392Q32.8Very low36.8Very low166 Ų166149.5 Ų149.578%0.77677%0.766SS**  trans-132.918.4164.6-74.6-156.90.700116.1H394Q392-H394 PolarHBondContact O-N 3.48Å
393N44.4Very low37.7Very low153 Ų153148.7 Ų148.782%0.81876%0.761SS**THydrogen-bonded Turntrans-73.738.7173.5-88.9-28.9000114.8
394H42.3Very low38.3Very low163 Ų163152 Ų15276%0.75577%0.765SS**THydrogen-bonded Turntrans-139.3-16.7174.3-115.362.2000116Q392Q392-H394 PolarHBondContact O-N 3.48Å
395V44.7Very low38.8Very low93 Ų93150.6 Ų150.656%0.56476%0.758SS**THydrogen-bonded Turntrans-86.4-44.9179-173.40000111.3R397 K398V395-R397 VanDerWaalsContact C-N 3.26Å; V395-R397 PolarHBondContact O-N 3.3Å; V395-K398 WeakPolarHBondContact O-CB 3.25Å; V395-K398 PolarHBondContact O-N 3.42Å
396A41.2Very low39.1Very low67 Ų67148.6 Ų148.655%0.55475%0.754SS**Hα-helixtrans-57.1-34.7-179.300000113.8K398 I399A396-K398 PolarHBondContact O-N 3.24Å; A396-I399 PolarHBondContact O-N 3.13Å
397R41.1Very low39.6Very low204 Ų204148.4 Ų148.477%0.7776%0.755SS**Hα-helixtrans-69.4-9.9177.3-77.8-175.1173.5179-0.5114.4V395V395-R397 VanDerWaalsContact C-N 3.26Å; V395-R397 PolarHBondContact O-N 3.3Å
398K37.9Very low39.8Very low174 Ų174149.1 Ų149.176%0.75775%0.754SS**Hα-helixtrans-90.7-26.1179-141.6173.9-172.3178.80113.4V395 A396V395-K398 WeakPolarHBondContact O-CB 3.25Å; V395-K398 PolarHBondContact O-N 3.42Å; A396-K398 PolarHBondContact O-N 3.24Å
399I48Very low40.5Very low131 Ų131152.5 Ų152.567%0.67276%0.757SS**Hα-helixtrans-81.6-43.8-179-62.8175.5000111.1A396 K401A396-I399 PolarHBondContact O-N 3.13Å; I399-K401 PolarHBondContact O-N 3.41Å
400V45.3Very low41.1Very low120 Ų120155.8 Ų155.873%0.72776%0.761SS**THydrogen-bonded Turntrans-70.7-12.5-179.2-175.40000113.1
401K36.5Very low41.3Very low184 Ų184156.4 Ų156.480%0.876%0.761SS**THydrogen-bonded Turntrans-91.31.9-177-123179.8-176.3-177.70115.6I399I399-K401 PolarHBondContact O-N 3.41Å
402M40Very low41.4Very low173 Ų173154.4 Ų154.485%0.85276%0.759SS**SBendtrans-89.8-20.7174.5-87.7-172.6153.300114.5
403T45.1Very low41.7Very low124 Ų124149.6 Ų149.676%0.76175%0.754SS**SBendtrans-93.36.1-167.4-15.70000115.6
404K41Very low41.7Very low199 Ų199146.3 Ų146.387%0.86575%0.748SS**  trans-135.367.3176.1-71.3-169.8178.2-179.10112.7
405Q35.4Very low42.1Very low150 Ų150142 Ų14270%0.70173%0.734SS**  trans-71.1137.5143-70.8-166.412.800107.8N408Q405-N408 PolarHBondContact OE1-ND2 2.85Å
406P42.5Very low42.8Very low103 Ų103139.7 Ų139.767%0.66972%0.722SS**  trans-60.5153.2167.428.5-34.5000109.2N408P406-N408 PolarHBondContact O-N 2.92Å
407P40.8Very low43.6Very low125 Ų125147.1 Ų147.181%0.81274%0.736SS**  trans-57.3111178.623.9-33.5000109K409P407-K409 PolarHBondContact O-N 3.19Å
408N42.3Very low44.5Very low120 Ų120143.6 Ų143.664%0.64273%0.729SS**  trans-58.1100.6179-98.9-62.3000108.1Q405 P406 K410Q405-N408 PolarHBondContact OE1-ND2 2.85Å; P406-N408 PolarHBondContact O-N 2.92Å; N408-K410 PolarHBondContact O-N 3.13Å
409K42.4Very low45.8Very low198 Ų198139.4 Ų139.486%0.86171%0.71SS**  trans-44.9112.5171.9-79.3-175.2176.3179.50106.3P407 K411P407-K409 PolarHBondContact O-N 3.19Å; K409-K411 VanDerWaalsContact C-N 3.31Å; K409-K411 PolarHBondContact O-N 2.96Å
410K44.4Very low46.8Very low196 Ų196138.8 Ų138.885%0.85270%0.703SS**  trans-52.693.1-167.9-73.8179.6178175.30109.5N408 K412N408-K410 PolarHBondContact O-N 3.13Å; K410-K412 PolarHBondContact O-N 2.94Å
411K42.7Very low47.8Very low193 Ų193135.3 Ų135.384%0.83968%0.682SS**  trans-57.3114.9174-79.7-174.5176.9176.90104.4K409 G413K409-K411 VanDerWaalsContact C-N 3.31Å; K409-K411 PolarHBondContact O-N 2.96Å; K411-G413 VanDerWaalsContact C-N 3.31Å; K411-G413 PolarHBondContact O-N 2.81Å
412K39.1Very low49.5Very low207 Ų207127.9 Ų127.990%0.965%0.652SS**  trans-53.7102.5175.4-75.8179178.2173.60106K410 A414K410-K412 PolarHBondContact O-N 2.94Å; K412-A414 PolarHBondContact O-N 3.42Å
413G39.3Very low51.2Low64 Ų64128.6 Ų128.666%0.6665%0.645SS**PPolyproline II helixtrans-52.9127.3-169.700000108.4K411 P415K411-G413 VanDerWaalsContact C-N 3.31Å; K411-G413 PolarHBondContact O-N 2.81Å; G413-P415 VanDerWaalsContact O-N 3.08Å
414A43.8Very low52.6Low85 Ų85123.7 Ų123.770%0.70262%0.615SS**PPolyproline II helixtrans-48.7123.1-172.100000108.4K412 S416K412-A414 PolarHBondContact O-N 3.42Å; A414-S416 PolarHBondContact O-N 3.19Å; A414-S416 VanDerWaalsContact O-N 3.16Å
415P50Low54.3Low71 Ų71115 Ų11546%0.46158%0.578SS.*PPolyproline II helixtrans-54.4128.2-163.817.6-31.2000109.5G413 K419 K420G413-P415 VanDerWaalsContact O-N 3.08Å; P415-K419 HydrophobicContact CB-CB 4.04Å; P415-K419 HydrophobicContact CB-CD 4.27Å; P415-K420 WeakPolarHBondContact O-CE 3.37Å
416S59.4Low56.4Low45 Ų45111.6 Ų111.632%0.31556%0.562SS.*PPolyproline II helixtrans-49.3151.5-171.967.30000110.6A414 E418 K419 K420A414-S416 PolarHBondContact O-N 3.19Å; A414-S416 VanDerWaalsContact O-N 3.16Å; S416-E418 CarbonylContact O-C 3.56Å; S416-E418 PolarHBondContact O-N 3.47Å; S416-E418 PolarHBondContact OG-OE2 3.26Å; S416-K419 PolarHBondContact O-N 2.91Å; S416-K420 PolarHBondContact O-N 2.91Å
417R58Low58.4Low223 Ų223108.3 Ų108.384%0.84254%0.544SS*.Hα-helixtrans-49.8-35.1-177.4-171.8171.964.5-179.7-0.5111.8K420 V421R417-K420 PolarHBondContact O-N 3.43Å; R417-V421 WeakPolarHBondContact O-CG2 3.3Å; R417-V421 PolarHBondContact O-N 3.31Å; R417-V421 VanDerWaalsContact O-N 3.11Å
418E60.7Low60.5Low131 Ų131102.6 Ų102.661%0.61251%0.507SS*.Hα-helixtrans-59.5-52.5172.1-55.1161.7143.600113S416 K420 V421 T422S416-E418 CarbonylContact O-C 3.56Å; S416-E418 PolarHBondContact O-N 3.47Å; S416-E418 PolarHBondContact OG-OE2 3.26Å; E418-K420 PolarHBondContact O-N 3.35Å; E418-V421 CarbonylContact O-C 3.54Å; E418-V421 WeakPolarHBondContact O-CA 3.46Å; E418-V421 WeakPolarHBondContact O-CB 3.46Å; E418-V421 PolarHBondContact O-N 2.91Å; E418-T422 PolarHBondContact O-N 3.3Å; E418-T422 PolarHBondContact O-OG1 2.9Å
419K65.6Low62.7Low86 Ų8697.8 Ų97.837%0.37448%0.481SS..Hα-helixtrans-58.4-33.9179.1-70.7177-178.6175.30112.5V226 P415 S416 R423V226-K419 VanDerWaalsContact CG2-NZ 3.32Å; P415-K419 HydrophobicContact CB-CB 4.04Å; P415-K419 HydrophobicContact CB-CD 4.27Å; S416-K419 PolarHBondContact O-N 2.91Å; K419-R423 PolarHBondContact O-N 2.91Å; K419-R423 VanDerWaalsContact O-N 3.16Å
420K67.4Low64.9Low118 Ų11892.5 Ų92.551%0.51347%0.465SS..Hα-helixtrans-69.3-42.2173.2-62.6-174.7-178.8-176.90111.8P415 S416 R417 E418 R423 T424P415-K420 WeakPolarHBondContact O-CE 3.37Å; S416-K420 PolarHBondContact O-N 2.91Å; R417-K420 PolarHBondContact O-N 3.43Å; E418-K420 PolarHBondContact O-N 3.35Å; K420-R423 PolarHBondContact O-N 2.98Å; K420-T424 PolarHBondContact O-N 2.93Å; K420-T424 VanDerWaalsContact O-N 3.09Å; K420-T424 PolarHBondContact O-OG1 2.92Å
421V67.3Low67.2Low47 Ų4783.8 Ų83.829%0.28543%0.43SS..Hα-helixtrans-62.9-46.1174.5168.80000111.2R417 E418 R423 T424 I425R417-V421 WeakPolarHBondContact O-CG2 3.3Å; R417-V421 PolarHBondContact O-N 3.31Å; R417-V421 VanDerWaalsContact O-N 3.11Å; E418-V421 CarbonylContact O-C 3.54Å; E418-V421 WeakPolarHBondContact O-CA 3.46Å; E418-V421 WeakPolarHBondContact O-CB 3.46Å; E418-V421 PolarHBondContact O-N 2.91Å; V421-R423 VanDerWaalsContact C-N 3.28Å; V421-R423 PolarHBondContact O-N 2.89Å; V421-T424 WeakPolarHBondContact O-CA 3.3Å; V421-T424 VanDerWaalsContact O-CB 3.23Å; V421-T424 WeakPolarHBondContact O-CB 3.49Å; V421-T424 PolarHBondContact O-N 2.89Å; V421-I425 HydrophobicContact CG1-CD1 3.83Å; V421-I425 VanDerWaalsContact O-CD1 3.23Å; V421-I425 WeakPolarHBondContact O-CD1 3.38Å; V421-I425 PolarHBondContact O-N 3.39Å; V421-I425 VanDerWaalsContact O-N 3.14Å
422T72.7Confident69.6Low27 Ų2774.6 Ų74.617%0.16639%0.39CS..Hα-helixtrans-55.1-41.9173.9-52.60000112Y215 I218 E418 T424 I425 M426Y215-T422 HydrophobicContact CE2-CG2 4.39Å; I218-T422 HydrophobicContact CG2-CG2 3.79Å; E418-T422 PolarHBondContact O-N 3.3Å; E418-T422 PolarHBondContact O-OG1 2.9Å; T422-T424 VanDerWaalsContact C-N 3.31Å; T422-T424 PolarHBondContact O-N 3.35Å; T422-I425 PolarHBondContact O-N 3.02Å; T422-M426 WeakPolarHBondContact O-CB 3.47Å; T422-M426 PolarHBondContact O-N 3.45Å
423R75.1Confident72.2Confident189 Ų18966.9 Ų66.971%0.71336%0.36SS*.Hα-helixtrans-65.4-32.3175.4-168.6177.2-175.8177.92.5113.1K419 K420 V421 A427K419-R423 PolarHBondContact O-N 2.91Å; K419-R423 VanDerWaalsContact O-N 3.16Å; K420-R423 PolarHBondContact O-N 2.98Å; V421-R423 VanDerWaalsContact C-N 3.28Å; V421-R423 PolarHBondContact O-N 2.89Å; R423-A427 PolarHBondContact O-N 3.29Å; R423-A427 VanDerWaalsContact O-N 3.09Å
424T74.3Confident74.8Confident21 Ų2166.9 Ų66.913%0.12935%0.354CS..Hα-helixtrans-63.5-48.1174.7-480000110.6K420 V421 T422 A427 I428 C479K420-T424 PolarHBondContact O-N 2.93Å; K420-T424 VanDerWaalsContact O-N 3.09Å; K420-T424 PolarHBondContact O-OG1 2.92Å; V421-T424 WeakPolarHBondContact O-CA 3.3Å; V421-T424 VanDerWaalsContact O-CB 3.23Å; V421-T424 WeakPolarHBondContact O-CB 3.49Å; V421-T424 PolarHBondContact O-N 2.89Å; T422-T424 VanDerWaalsContact C-N 3.31Å; T422-T424 PolarHBondContact O-N 3.35Å; T424-A427 PolarHBondContact O-N 3.44Å; T424-I428 HydrophobicContact CG2-CD1 4.13Å; T424-I428 WeakPolarHBondContact O-CD1 3.33Å; T424-I428 WeakPolarHBondContact O-CG1 3.36Å; T424-I428 PolarHBondContact O-N 3.37Å; T424-C479 HydrophobicContact CG2-CB 3.71Å; T424-C479 WeakPolarHBondContact OG1-CB 3.35Å
425I77.3Confident77.4Confident16 Ų1663.1 Ų63.18%0.08232%0.322CS..Hα-helixtrans-67.3-41.6-179.2-57.5136.8000110.6I126 R130 V421 T422 A427 I428 L429I126-I425 HydrophobicContact CG2-CG1 4.39Å; I126-I425 HydrophobicContact CG2-CG2 4.24Å; R130-I425 HydrophobicContact CB-CD1 4.2Å; R130-I425 VanDerWaalsContact CD-CD1 3.41Å; R130-I425 HydrophobicContact CG-CD1 3.52Å; R130-I425 HydrophobicContact CG-CG1 4.26Å; V421-I425 HydrophobicContact CG1-CD1 3.83Å; V421-I425 VanDerWaalsContact O-CD1 3.23Å; V421-I425 WeakPolarHBondContact O-CD1 3.38Å; V421-I425 PolarHBondContact O-N 3.39Å; V421-I425 VanDerWaalsContact O-N 3.14Å; T422-I425 PolarHBondContact O-N 3.02Å; I425-A427 VanDerWaalsContact C-N 3.28Å; I425-A427 PolarHBondContact O-N 3.28Å; I425-I428 PolarHBondContact O-N 2.94Å; I425-L429 HydrophobicContact CG2-CD1 3.89Å; I425-L429 HydrophobicContact CG2-CG 4.16Å; I425-L429 WeakPolarHBondContact O-CG 3.34Å; I425-L429 PolarHBondContact O-N 3.3Å
426M79.6Confident79.6Confident78 Ų7861.2 Ų61.238%0.38431%0.306SS..Hα-helixtrans-54.3-44.7172.6179.9-165.8168.600111.6Y215 T422 L429 V430Y215-M426 HydrophobicContact CE2-CB 3.92Å; Y215-M426 HydrophobicContact CE2-CG 4.12Å; Y215-M426 PolarHBondContact OH-SD 2.85Å; T422-M426 WeakPolarHBondContact O-CB 3.47Å; T422-M426 PolarHBondContact O-N 3.45Å; M426-L429 PolarHBondContact O-N 3Å; M426-V430 HydrophobicContact CG-CG2 4.37Å; M426-V430 WeakPolarHBondContact O-CB 3.22Å; M426-V430 VanDerWaalsContact O-CG2 3.24Å; M426-V430 WeakPolarHBondContact O-CG2 3.35Å; M426-V430 PolarHBondContact O-N 3.48Å
427A83.4Confident81.4Confident35 Ų3561.3 Ų61.329%0.28930%0.304SS..Hα-helixtrans-63.1-42.7179.300000112.3R423 T424 I425 A431R423-A427 PolarHBondContact O-N 3.29Å; R423-A427 VanDerWaalsContact O-N 3.09Å; T424-A427 PolarHBondContact O-N 3.44Å; I425-A427 VanDerWaalsContact C-N 3.28Å; I425-A427 PolarHBondContact O-N 3.28Å; A427-A431 WeakPolarHBondContact O-CB 3.34Å; A427-A431 PolarHBondContact O-N 2.89Å
428I85.7Confident83.3Confident5 Ų553.3 Ų53.33%0.02628%0.281CS..Hα-helixtrans-64.9-47.1177.7-61156.4000110.8L123 T424 I425 V430 A431 F432 C475 Y476L123-I428 HydrophobicContact CD2-CG2 3.54Å; T424-I428 HydrophobicContact CG2-CD1 4.13Å; T424-I428 WeakPolarHBondContact O-CD1 3.33Å; T424-I428 WeakPolarHBondContact O-CG1 3.36Å; T424-I428 PolarHBondContact O-N 3.37Å; I425-I428 PolarHBondContact O-N 2.94Å; I428-V430 PolarHBondContact O-N 3.38Å; I428-A431 PolarHBondContact O-N 2.92Å; I428-F432 PolarHBondContact O-N 3.45Å; I428-C475 HydrophobicContact CG1-CB 3.91Å; I428-Y476 HydrophobicContact CD1-CD1 4Å; I428-Y476 HydrophobicContact CD1-CE1 3.6Å; I428-Y476 HydrophobicContact CG1-CD1 4.48Å; I428-Y476 HydrophobicContact CG1-CE1 4.05Å
429L87.6Confident85Confident19 Ų1948.9 Ų48.910%0.09926%0.259CS..Hα-helixtrans-64.5-38179-68.4177.6000112.4M211 I425 M426 V433M211-L429 HydrophobicContact CB-CD2 4.21Å; M211-L429 HydrophobicContact CE-CD2 4.46Å; M211-L429 HydrophobicContact CG-CD2 4.26Å; M211-L429 HydrophobicContact SD-CD2 3.46Å; M211-L429 WeakPolarHBondContact SD-CD2 3.46Å; I425-L429 HydrophobicContact CG2-CD1 3.89Å; I425-L429 HydrophobicContact CG2-CG 4.16Å; I425-L429 WeakPolarHBondContact O-CG 3.34Å; I425-L429 PolarHBondContact O-N 3.3Å; M426-L429 PolarHBondContact O-N 3Å; L429-V433 WeakPolarHBondContact O-CG2 3.46Å; L429-V433 PolarHBondContact O-N 3.39Å
430V89.9Confident86.5Confident86 Ų8645.3 Ų45.352%0.52124%0.244SC..Hα-helixtrans-68.6-39.9175.1169.60000111.2M426 I428 A434M426-V430 HydrophobicContact CG-CG2 4.37Å; M426-V430 WeakPolarHBondContact O-CB 3.22Å; M426-V430 VanDerWaalsContact O-CG2 3.24Å; M426-V430 WeakPolarHBondContact O-CG2 3.35Å; M426-V430 PolarHBondContact O-N 3.48Å; I428-V430 PolarHBondContact O-N 3.38Å; V430-A434 WeakPolarHBondContact O-CB 3.33Å; V430-A434 PolarHBondContact O-N 3.47Å
431A91.4Very high87.9Confident14 Ų1442.5 Ų42.512%0.11624%0.237CC..Hα-helixtrans-60.9-48.1174.600000111.7A427 I428 A434 T435 I471A427-A431 WeakPolarHBondContact O-CB 3.34Å; A427-A431 PolarHBondContact O-N 2.89Å; I428-A431 PolarHBondContact O-N 2.92Å; A431-A434 PolarHBondContact O-N 3.05Å; A431-T435 WeakPolarHBondContact O-CB 3.19Å; A431-T435 WeakPolarHBondContact O-CG2 3.35Å; A431-T435 PolarHBondContact O-N 2.85Å; A431-T435 PolarHBondContact O-OG1 3.37Å; A431-I471 HydrophobicContact CB-CG2 3.78Å
432F93.5Very high89.2Confident0 Ų040.9 Ų40.90%023%0.226CC..Hα-helixtrans-57.8-51.7176.3173.9-101.7000112.4V120 L123 F204 V208 M211 I428 A434 T435 W436 N468V120-F432 HydrophobicContact CG1-CZ 4.37Å; V120-F432 HydrophobicContact CG2-CE2 3.93Å; V120-F432 HydrophobicContact CG2-CZ 3.8Å; L123-F432 HydrophobicContact CD1-CB 3.93Å; L123-F432 HydrophobicContact CD1-CD1 4.18Å; L123-F432 HydrophobicContact CD1-CD2 3.52Å; L123-F432 HydrophobicContact CD1-CE2 4.04Å; L123-F432 HydrophobicContact CD1-CG 3.59Å; F204-F432 HydrophobicContact CD2-CE1 4.16Å; F204-F432 AromaticContact CD2-CZ 3.96Å; F204-F432 HydrophobicContact CD2-CZ 3.96Å; F204-F432 AromaticContact CE2-CE1 3.85Å; F204-F432 HydrophobicContact CE2-CE1 3.85Å; F204-F432 AromaticContact CE2-CZ 3.97Å; F204-F432 HydrophobicContact CE2-CZ 3.97Å; V208-F432 HydrophobicContact CG2-CD1 4.47Å; V208-F432 HydrophobicContact CG2-CE1 3.77Å; M211-F432 HydrophobicContact CE-CD1 3.94Å; M211-F432 HydrophobicContact CE-CE1 3.64Å; I428-F432 PolarHBondContact O-N 3.45Å; F432-A434 PolarHBondContact O-N 2.97Å; F432-T435 PolarHBondContact O-N 2.84Å; F432-T435 PolarHBondContact O-OG1 3.44Å; F432-T435 VanDerWaalsContact O-OG1 3.11Å; F432-W436 HydrophobicContact CD2-CD2 4.01Å; F432-W436 HydrophobicContact CD2-CG 4.08Å; F432-W436 HydrophobicContact CE2-CB 4.46Å; F432-W436 AromaticContact CE2-CD2 3.34Å; F432-W436 HydrophobicContact CE2-CD2 3.34Å; F432-W436 AromaticContact CE2-CE2 3.61Å; F432-W436 AromaticContact CE2-CE3 3.48Å; F432-W436 HydrophobicContact CE2-CE3 3.48Å; F432-W436 VanDerWaalsContact CE2-CE3 3.48Å; F432-W436 AromaticContact CE2-CG 3.8Å; F432-W436 HydrophobicContact CE2-CG 3.8Å; F432-W436 HydrophobicContact CE2-CH2 4.06Å; F432-W436 AromaticContact CE2-CZ2 3.97Å; F432-W436 HydrophobicContact CE2-CZ2 3.97Å; F432-W436 AromaticContact CE2-CZ3 3.84Å; F432-W436 HydrophobicContact CE2-CZ3 3.84Å; F432-W436 AromaticContact CZ-CD2 3.94Å; F432-W436 HydrophobicContact CZ-CD2 3.94Å; F432-W436 AromaticContact CZ-CE3 3.7Å; F432-W436 HydrophobicContact CZ-CE3 3.7Å; F432-W436 HydrophobicContact CZ-CG 4.36Å; F432-W436 HydrophobicContact CZ-CZ3 4.13Å; F432-W436 WeakPolarHBondContact O-CB 3.28Å; F432-W436 PolarHBondContact O-N 3.09Å; F432-N468 WeakPolarHBondContact CA-OD1 3.5Å; F432-N468 PolarHBondContact N-OD1 3.48Å
433V93.9Very high90.3Very high44 Ų4439.8 Ų39.827%0.26722%0.22SC..Hα-helixtrans-62.8-43.4179.4173.80000111V208 L429 T435 T437V208-V433 HydrophobicContact CG1-CG2 4.02Å; V208-V433 HydrophobicContact CG2-CG2 4.22Å; L429-V433 WeakPolarHBondContact O-CG2 3.46Å; L429-V433 PolarHBondContact O-N 3.39Å; V433-T435 VanDerWaalsContact C-N 3.32Å; V433-T435 PolarHBondContact O-N 3.02Å; V433-T437 WeakPolarHBondContact O-CB 3.38Å; V433-T437 PolarHBondContact O-N 3.16Å; V433-T437 PolarHBondContact O-OG1 3.32Å
434A95.2Very high91.2Very high64 Ų6433.8 Ų33.853%0.52920%0.201SC..Hα-helixtrans-66.1-32.5-178.900000113.3V430 A431 F432 P438V430-A434 WeakPolarHBondContact O-CB 3.33Å; V430-A434 PolarHBondContact O-N 3.47Å; A431-A434 PolarHBondContact O-N 3.05Å; F432-A434 PolarHBondContact O-N 2.97Å; A434-P438 WeakPolarHBondContact O-CD 3.38Å
435T96.4Very high92.2Very high7 Ų736.4 Ų36.44%0.04321%0.214CC..Hα-helixtrans-84.7-38.6-179.345.90000113.4A431 F432 V433 L464 N468 I471A431-T435 WeakPolarHBondContact O-CB 3.19Å; A431-T435 WeakPolarHBondContact O-CG2 3.35Å; A431-T435 PolarHBondContact O-N 2.85Å; A431-T435 PolarHBondContact O-OG1 3.37Å; F432-T435 PolarHBondContact O-N 2.84Å; F432-T435 PolarHBondContact O-OG1 3.44Å; F432-T435 VanDerWaalsContact O-OG1 3.11Å; V433-T435 VanDerWaalsContact C-N 3.32Å; V433-T435 PolarHBondContact O-N 3.02Å; T435-L464 VanDerWaalsContact CB-O 3.32Å; T435-L464 WeakPolarHBondContact CB-O 3.48Å; T435-L464 HydrophobicContact CG2-CD1 4.35Å; T435-L464 HydrophobicContact CG2-CG 4.33Å; T435-L464 WeakPolarHBondContact O-CD2 3.44Å; T435-L464 WeakPolarHBondContact O-CG 3.48Å; T435-N468 HydrophobicContact CG2-CB 4.46Å; T435-N468 WeakPolarHBondContact OG1-CB 3.44Å; T435-I471 HydrophobicContact CG2-CD1 4.06Å
436W97.1Very high93Very high30 Ų3037.6 Ų37.611%0.11422%0.22CC..Hα-helixtrans-92.7-21.7-174.5-75.639.3000114.3V120 F204 F432 N440 C465V120-W436 HydrophobicContact CG2-CE3 4.28Å; V120-W436 HydrophobicContact CG2-CH2 3.59Å; V120-W436 HydrophobicContact CG2-CZ3 3.38Å; F204-W436 HydrophobicContact CD2-CB 4.11Å; F204-W436 AromaticContact CD2-CE3 3.97Å; F204-W436 HydrophobicContact CD2-CE3 3.97Å; F204-W436 HydrophobicContact CE2-CB 3.44Å; F204-W436 VanDerWaalsContact CE2-CB 3.44Å; F204-W436 HydrophobicContact CE2-CE3 4.4Å; F204-W436 HydrophobicContact CE2-CG 4.46Å; F204-W436 HydrophobicContact CZ-CB 4.06Å; F432-W436 HydrophobicContact CD2-CD2 4.01Å; F432-W436 HydrophobicContact CD2-CG 4.08Å; F432-W436 HydrophobicContact CE2-CB 4.46Å; F432-W436 AromaticContact CE2-CD2 3.34Å; F432-W436 HydrophobicContact CE2-CD2 3.34Å; F432-W436 AromaticContact CE2-CE2 3.61Å; F432-W436 AromaticContact CE2-CE3 3.48Å; F432-W436 HydrophobicContact CE2-CE3 3.48Å; F432-W436 VanDerWaalsContact CE2-CE3 3.48Å; F432-W436 AromaticContact CE2-CG 3.8Å; F432-W436 HydrophobicContact CE2-CG 3.8Å; F432-W436 HydrophobicContact CE2-CH2 4.06Å; F432-W436 AromaticContact CE2-CZ2 3.97Å; F432-W436 HydrophobicContact CE2-CZ2 3.97Å; F432-W436 AromaticContact CE2-CZ3 3.84Å; F432-W436 HydrophobicContact CE2-CZ3 3.84Å; F432-W436 AromaticContact CZ-CD2 3.94Å; F432-W436 HydrophobicContact CZ-CD2 3.94Å; F432-W436 AromaticContact CZ-CE3 3.7Å; F432-W436 HydrophobicContact CZ-CE3 3.7Å; F432-W436 HydrophobicContact CZ-CG 4.36Å; F432-W436 HydrophobicContact CZ-CZ3 4.13Å; F432-W436 WeakPolarHBondContact O-CB 3.28Å; F432-W436 PolarHBondContact O-N 3.09Å; W436-N440 PolarHBondContact O-N 3.48Å; W436-N440 PolarHBondContact O-ND2 3.45Å; W436-C465 HydrophobicContact CG-CB 4.42Å; W436-C465 PolarHBondContact NE1-O 3.17Å
437T97Very high93.6Very high47 Ų4735.6 Ų35.629%0.28821%0.212SC..Hα-helixtrans-57.6-46.2178.5-65.70000113.2V433 Y439 N440 V441V433-T437 WeakPolarHBondContact O-CB 3.38Å; V433-T437 PolarHBondContact O-N 3.16Å; V433-T437 PolarHBondContact O-OG1 3.32Å; T437-Y439 PolarHBondContact O-N 3.21Å; T437-N440 PolarHBondContact O-N 3.16Å; T437-N440 VanDerWaalsContact O-N 3.15Å; T437-V441 HydrophobicContact CG2-CG2 3.79Å; T437-V441 WeakPolarHBondContact O-CG2 3.25Å; T437-V441 PolarHBondContact O-N 3.01Å
438P97.3Very high94.1Very high55 Ų5542.2 Ų42.236%0.35724%0.235SC..Hα-helixtrans-59-41.5-176.7-29.840.2000113.9A434 V441 M442 L464A434-P438 WeakPolarHBondContact O-CD 3.38Å; P438-V441 PolarHBondContact O-N 3.01Å; P438-M442 WeakPolarHBondContact O-CG 3.4Å; P438-M442 PolarHBondContact O-N 3.47Å; P438-M442 VanDerWaalsContact O-N 3.08Å; P438-L464 HydrophobicContact CB-CD2 4.15Å; P438-L464 HydrophobicContact CG-CD2 3.69Å
439Y97.2Very high94.5Very high39 Ų3943.8 Ų43.815%0.15325%0.246CC..Hα-helixtrans-62.8-45.4174.8179.7-96.9000112.3T437 V441 M442 V443 W458 Y462 C465T437-Y439 PolarHBondContact O-N 3.21Å; Y439-V441 VanDerWaalsContact C-N 3.34Å; Y439-V441 PolarHBondContact O-N 3.27Å; Y439-M442 HydrophobicContact CD2-CE 4.11Å; Y439-M442 WeakPolarHBondContact O-CB 3.48Å; Y439-M442 PolarHBondContact O-N 3.19Å; Y439-M442 VanDerWaalsContact O-N 3.17Å; Y439-V443 HydrophobicContact CD1-CG2 4.36Å; Y439-V443 HydrophobicContact CE1-CG2 3.9Å; Y439-V443 PolarHBondContact O-N 3.11Å; Y439-W458 HydrophobicContact CD2-CE3 4.03Å; Y439-W458 AromaticContact CD2-CZ3 3.99Å; Y439-W458 HydrophobicContact CD2-CZ3 3.99Å; Y439-W458 AromaticContact CE2-CE3 3.69Å; Y439-W458 HydrophobicContact CE2-CE3 3.69Å; Y439-W458 AromaticContact CE2-CZ3 3.58Å; Y439-W458 HydrophobicContact CE2-CZ3 3.58Å; Y439-Y462 HydrophobicContact CD2-CD2 4.28Å; Y439-Y462 AromaticContact CE2-CD2 3.63Å; Y439-Y462 HydrophobicContact CE2-CD2 3.63Å; Y439-Y462 HydrophobicContact CE2-CE2 4.29Å; Y439-Y462 HydrophobicContact CE2-CG 4.43Å; Y439-C465 VanDerWaalsContact CB-SG 3.55Å
440N96.6Very high94.5Very high11 Ų1147.1 Ų47.16%0.05927%0.271CS..Hα-helixtrans-69.8-31.6-179.3-73.6-91.5000112.5F204 Y205 W436 T437 V443 L444F204-N440 VanDerWaalsContact CB-OD1 3.29Å; F204-N440 WeakPolarHBondContact CB-OD1 3.46Å; F204-N440 HydrophobicContact CD1-CB 3.47Å; F204-N440 VanDerWaalsContact CD1-CB 3.47Å; F204-N440 WeakPolarHBondContact CD1-OD1 3.47Å; F204-N440 HydrophobicContact CE1-CB 3.67Å; F204-N440 HydrophobicContact CG-CB 4.22Å; F204-N440 VanDerWaalsContact CG-CG 3.46Å; F204-N440 WeakPolarHBondContact CG-OD1 3.02Å; Y205-N440 HydrophobicContact CE2-CB 4.03Å; Y205-N440 VanDerWaalsContact OH-C 3.29Å; Y205-N440 PolarHBondContact OH-O 3.39Å; Y205-N440 VanDerWaalsContact OH-O 3.06Å; W436-N440 PolarHBondContact O-N 3.48Å; W436-N440 PolarHBondContact O-ND2 3.45Å; T437-N440 PolarHBondContact O-N 3.16Å; T437-N440 VanDerWaalsContact O-N 3.15Å; N440-V443 WeakPolarHBondContact O-CB 3.46Å; N440-V443 PolarHBondContact O-N 2.67Å; N440-L444 PolarHBondContact O-N 3.35Å
441V96.6Very high94.5Very high58 Ų5848.3 Ų48.335%0.35228%0.283SS..Hα-helixtrans-65.9-36.3170.9169.70000111.6T437 P438 Y439 L444 I445T437-V441 HydrophobicContact CG2-CG2 3.79Å; T437-V441 WeakPolarHBondContact O-CG2 3.25Å; T437-V441 PolarHBondContact O-N 3.01Å; P438-V441 PolarHBondContact O-N 3.01Å; Y439-V441 VanDerWaalsContact C-N 3.34Å; Y439-V441 PolarHBondContact O-N 3.27Å; V441-L444 PolarHBondContact O-N 3.4Å; V441-I445 HydrophobicContact CG1-CD1 3.96Å; V441-I445 WeakPolarHBondContact O-CG1 3.42Å; V441-I445 PolarHBondContact O-N 3.37Å
442M95.7Very high94.6Very high14 Ų1451.6 Ų51.67%0.06930%0.304CS..Hα-helixtrans-63.6-42.3170.2-71.7-172-6500112P438 Y439 L444 I445 N446 I453 V457 W458P438-M442 WeakPolarHBondContact O-CG 3.4Å; P438-M442 PolarHBondContact O-N 3.47Å; P438-M442 VanDerWaalsContact O-N 3.08Å; Y439-M442 HydrophobicContact CD2-CE 4.11Å; Y439-M442 WeakPolarHBondContact O-CB 3.48Å; Y439-M442 PolarHBondContact O-N 3.19Å; Y439-M442 VanDerWaalsContact O-N 3.17Å; M442-L444 VanDerWaalsContact C-N 3.29Å; M442-L444 PolarHBondContact O-N 2.98Å; M442-I445 PolarHBondContact O-N 2.93Å; M442-I445 VanDerWaalsContact O-N 3.15Å; M442-N446 VanDerWaalsContact O-CB 3.32Å; M442-N446 WeakPolarHBondContact O-CB 3.37Å; M442-N446 PolarHBondContact O-N 2.86Å; M442-I453 HydrophobicContact CB-CD1 3.97Å; M442-I453 HydrophobicContact CB-CG2 4.48Å; M442-I453 HydrophobicContact CG-CD1 4.38Å; M442-I453 HydrophobicContact CG-CG2 4.09Å; M442-I453 WeakPolarHBondContact O-CD1 3.46Å; M442-I453 HydrophobicContact SD-CG2 3.55Å; M442-I453 VanDerWaalsContact SD-CG2 3.55Å; M442-V457 WeakPolarHBondContact CE-O 3.43Å; M442-V457 HydrophobicContact SD-CB 4.41Å; M442-V457 HydrophobicContact SD-CG1 3.73Å; M442-W458 HydrophobicContact CB-CD2 4.49Å; M442-W458 HydrophobicContact CB-CE3 4.02Å; M442-W458 HydrophobicContact CB-CH2 3.72Å; M442-W458 HydrophobicContact CB-CZ2 4.2Å; M442-W458 HydrophobicContact CB-CZ3 3.6Å; M442-W458 HydrophobicContact CE-CD2 4.38Å; M442-W458 HydrophobicContact CE-CE3 3.73Å; M442-W458 HydrophobicContact CE-CZ3 4.23Å; M442-W458 HydrophobicContact SD-CD2 4.23Å; M442-W458 HydrophobicContact SD-CE3 4.11Å
443V95.1Very high94.6Very high4 Ų452.2 Ų52.22%0.02431%0.308CS..Hα-helixtrans-58.4-40.2174.1175.50000111.8T196 F197 A200 Y439 N440 N446 W458T196-V443 HydrophobicContact CG2-CG1 3.85Å; T196-V443 HydrophobicContact CG2-CG2 4.45Å; F197-V443 HydrophobicContact CB-CG1 4.19Å; A200-V443 HydrophobicContact CB-CG1 4.02Å; Y439-V443 HydrophobicContact CD1-CG2 4.36Å; Y439-V443 HydrophobicContact CE1-CG2 3.9Å; Y439-V443 PolarHBondContact O-N 3.11Å; N440-V443 WeakPolarHBondContact O-CB 3.46Å; N440-V443 PolarHBondContact O-N 2.67Å; V443-N446 PolarHBondContact O-N 2.96Å; V443-W458 HydrophobicContact CG2-CH2 3.9Å; V443-W458 HydrophobicContact CG2-CZ3 3.98Å
444L95.1Very high94.6Very high63 Ų6353.9 Ų53.933%0.3332%0.319SS..Hα-helixtrans-67.2-38.9174170.162.9000113.2F197 N440 V441 M442 N446 T447 F448F197-L444 HydrophobicContact CD2-CB 4.28Å; F197-L444 HydrophobicContact CD2-CD1 4.35Å; F197-L444 HydrophobicContact CE1-CD1 4.31Å; F197-L444 HydrophobicContact CE2-CB 4.01Å; F197-L444 HydrophobicContact CE2-CD1 3.66Å; F197-L444 HydrophobicContact CE2-CG 4.35Å; F197-L444 HydrophobicContact CZ-CD1 3.64Å; N440-L444 PolarHBondContact O-N 3.35Å; V441-L444 PolarHBondContact O-N 3.4Å; M442-L444 VanDerWaalsContact C-N 3.29Å; M442-L444 PolarHBondContact O-N 2.98Å; L444-N446 VanDerWaalsContact C-N 3.33Å; L444-T447 PolarHBondContact O-OG1 2.65Å; L444-F448 HydrophobicContact CD1-CE2 4.15Å
445I95Very high94.4Very high75 Ų7557 Ų5739%0.38533%0.327SS..Hα-helixtrans-67.8-38.9176.9-70.7164.3000110.2V441 M442 T447 F448 C449 C452 I453V441-I445 HydrophobicContact CG1-CD1 3.96Å; V441-I445 WeakPolarHBondContact O-CG1 3.42Å; V441-I445 PolarHBondContact O-N 3.37Å; M442-I445 PolarHBondContact O-N 2.93Å; M442-I445 VanDerWaalsContact O-N 3.15Å; I445-T447 PolarHBondContact O-N 2.93Å; I445-T447 VanDerWaalsContact O-N 3.17Å; I445-F448 PolarHBondContact O-N 3.04Å; I445-C449 PolarHBondContact O-N 3.32Å; I445-C452 HydrophobicContact CG2-CB 4.16Å; I445-I453 HydrophobicContact CB-CD1 4.04Å; I445-I453 HydrophobicContact CG2-CD1 3.88Å; I445-I453 HydrophobicContact CG2-CG1 4.01Å
446N93.2Very high94.2Very high41 Ų4160.2 Ų60.222%0.21935%0.347CS..Hα-helixtrans-63.2-19.2-179.1-169.173.7000114.3M442 V443 L444 F448 I453 W458M442-N446 VanDerWaalsContact O-CB 3.32Å; M442-N446 WeakPolarHBondContact O-CB 3.37Å; M442-N446 PolarHBondContact O-N 2.86Å; V443-N446 PolarHBondContact O-N 2.96Å; L444-N446 VanDerWaalsContact C-N 3.33Å; N446-F448 VanDerWaalsContact C-N 3.27Å; N446-F448 PolarHBondContact O-N 3.44Å; N446-I453 HydrophobicContact CB-CD1 4.01Å; N446-W458 HydrophobicContact CB-CH2 4.38Å; N446-W458 HydrophobicContact CB-CZ2 3.96Å
447T93.3Very high94.1Very high36 Ų3662.1 Ų62.122%0.22136%0.361CS..THydrogen-bonded Turntrans-73.6-18.1173.260.70000113.8A193 F197 L444 I445A193-T447 HydrophobicContact CB-CG2 4.25Å; A193-T447 WeakPolarHBondContact O-CG2 3.29Å; F197-T447 HydrophobicContact CB-CG2 3.39Å; F197-T447 HydrophobicContact CD1-CG2 4.14Å; F197-T447 HydrophobicContact CG-CG2 3.86Å; L444-T447 PolarHBondContact O-OG1 2.65Å; I445-T447 PolarHBondContact O-N 2.93Å; I445-T447 VanDerWaalsContact O-N 3.17Å
448F94.2Very high94Very high174 Ų17462.3 Ų62.376%0.76336%0.357SS*.THydrogen-bonded Turntrans-121.8-20.9-177.4-54.1-66000113.3L444 I445 N446L444-F448 HydrophobicContact CD1-CE2 4.15Å; I445-F448 PolarHBondContact O-N 3.04Å; N446-F448 VanDerWaalsContact C-N 3.27Å; N446-F448 PolarHBondContact O-N 3.44Å
449C92.4Very high93.8Very high38 Ų3861 Ų6126%0.25735%0.348SS..  trans-151.3102.7173.1-176.30000111.2I445 C452I445-C449 PolarHBondContact O-N 3.32Å; C449-C452 HydrophobicContact CB-CB 3.76Å; C449-C452 WeakPolarHBondContact CB-SG 3.36Å; C449-C452 WeakPolarHBondContact SG-CB 3.32Å; C449-C452 PolarHBondContact SG-N 3.34Å; C449-C452 CovalentContact SG-SG 2.03Å; C449-C452 PolarHBondContact SG-SG 3.39Å
450S87.6Confident93.7Very high90 Ų9064.2 Ų64.263%0.62937%0.367SS*.SBendtrans-73.9-32176.950.80000113.4C452S450-C452 VanDerWaalsContact C-N 3.32Å; S450-C452 PolarHBondContact O-N 2.93Å
451S90.8Very high93.8Very high111 Ų11163.9 Ų63.978%0.77637%0.366SS*.THydrogen-bonded Turntrans-78.6-10178.953.10000114.4I453S451-I453 VanDerWaalsContact C-N 3.29Å; S451-I453 PolarHBondContact O-N 3.2Å
452C93.4Very high93.8Very high82 Ų8262.6 Ų62.655%0.55436%0.355SS*.THydrogen-bonded Turntrans-75.9-12.3-176.4-72.30000114.2I445 C449 S450I445-C452 HydrophobicContact CG2-CB 4.16Å; C449-C452 HydrophobicContact CB-CB 3.76Å; C449-C452 WeakPolarHBondContact CB-SG 3.36Å; C449-C452 WeakPolarHBondContact SG-CB 3.32Å; C449-C452 PolarHBondContact SG-N 3.34Å; C449-C452 CovalentContact SG-SG 2.03Å; C449-C452 PolarHBondContact SG-SG 3.39Å; S450-C452 VanDerWaalsContact C-N 3.32Å; S450-C452 PolarHBondContact O-N 2.93Å
453I94.1Very high93.8Very high14 Ų1463.3 Ų63.37%0.07236%0.357CS..SBendtrans-122.1102.2-172.6-52.4155.4000109.2M442 I445 N446 S451 V457 W458M442-I453 HydrophobicContact CB-CD1 3.97Å; M442-I453 HydrophobicContact CB-CG2 4.48Å; M442-I453 HydrophobicContact CG-CD1 4.38Å; M442-I453 HydrophobicContact CG-CG2 4.09Å; M442-I453 WeakPolarHBondContact O-CD1 3.46Å; M442-I453 HydrophobicContact SD-CG2 3.55Å; M442-I453 VanDerWaalsContact SD-CG2 3.55Å; I445-I453 HydrophobicContact CB-CD1 4.04Å; I445-I453 HydrophobicContact CG2-CD1 3.88Å; I445-I453 HydrophobicContact CG2-CG1 4.01Å; N446-I453 HydrophobicContact CB-CD1 4.01Å; S451-I453 VanDerWaalsContact C-N 3.29Å; S451-I453 PolarHBondContact O-N 3.2Å; I453-V457 HydrophobicContact CG2-CB 4.44Å; I453-W458 HydrophobicContact CD1-CZ2 3.81Å; I453-W458 HydrophobicContact CG2-CD2 4.04Å; I453-W458 HydrophobicContact CG2-CG 3.9Å
454P94.2Very high93.9Very high78 Ų7865.6 Ų65.651%0.50637%0.369SS..  trans-71.2149.4177.329.1-33.5000111.1T456 V457 W458P454-T456 PolarHBondContact O-N 3.1Å; P454-T456 VanDerWaalsContact O-N 3.08Å; P454-V457 HydrophobicContact CG-CB 4.41Å; P454-V457 HydrophobicContact CG-CG2 3.84Å; P454-V457 PolarHBondContact O-N 3.37Å; P454-W458 PolarHBondContact O-N 2.83Å
455N90.4Very high94.1Very high130 Ų13063.4 Ų63.470%0.69536%0.358SS*.Hα-helixtrans-51.2-38-174.5-70-22.6000113.8V457 W458 T459N455-V457 PolarHBondContact O-N 3.27Å; N455-W458 WeakPolarHBondContact O-CB 3.39Å; N455-W458 PolarHBondContact O-N 3.44Å; N455-T459 PolarHBondContact O-N 2.89Å; N455-T459 PolarHBondContact O-OG1 2.97Å; N455-T459 VanDerWaalsContact O-OG1 3.07Å
456T91.7Very high94.2Very high75 Ų7560 Ų6046%0.4634%0.341SS..Hα-helixtrans-56-36.5175.8-42.40000113.2P454 T459 I460P454-T456 PolarHBondContact O-N 3.1Å; P454-T456 VanDerWaalsContact O-N 3.08Å; T456-T459 PolarHBondContact O-N 3.41Å; T456-I460 HydrophobicContact CG2-CD1 4.22Å; T456-I460 WeakPolarHBondContact O-CD1 3.41Å; T456-I460 VanDerWaalsContact O-CG1 3.24Å; T456-I460 WeakPolarHBondContact O-CG1 3.19Å; T456-I460 PolarHBondContact O-N 3.39Å
457V95.1Very high94.4Very high69 Ų6960.2 Ų60.242%0.41834%0.341SS..Hα-helixtrans-79.7-35.8-178.9-175.60000110.6M442 I453 P454 N455 I460 G461M442-V457 WeakPolarHBondContact CE-O 3.43Å; M442-V457 HydrophobicContact SD-CB 4.41Å; M442-V457 HydrophobicContact SD-CG1 3.73Å; I453-V457 HydrophobicContact CG2-CB 4.44Å; P454-V457 HydrophobicContact CG-CB 4.41Å; P454-V457 HydrophobicContact CG-CG2 3.84Å; P454-V457 PolarHBondContact O-N 3.37Å; N455-V457 PolarHBondContact O-N 3.27Å; V457-I460 PolarHBondContact O-N 3.16Å; V457-G461 PolarHBondContact O-N 3.42Å
458W94.6Very high94.5Very high52 Ų5258.6 Ų58.620%0.19733%0.331CS..Hα-helixtrans-55-50165.4-82.3120.4000111.5Y439 M442 V443 N446 I453 P454 N455 I460 G461 Y462Y439-W458 HydrophobicContact CD2-CE3 4.03Å; Y439-W458 AromaticContact CD2-CZ3 3.99Å; Y439-W458 HydrophobicContact CD2-CZ3 3.99Å; Y439-W458 AromaticContact CE2-CE3 3.69Å; Y439-W458 HydrophobicContact CE2-CE3 3.69Å; Y439-W458 AromaticContact CE2-CZ3 3.58Å; Y439-W458 HydrophobicContact CE2-CZ3 3.58Å; M442-W458 HydrophobicContact CB-CD2 4.49Å; M442-W458 HydrophobicContact CB-CE3 4.02Å; M442-W458 HydrophobicContact CB-CH2 3.72Å; M442-W458 HydrophobicContact CB-CZ2 4.2Å; M442-W458 HydrophobicContact CB-CZ3 3.6Å; M442-W458 HydrophobicContact CE-CD2 4.38Å; M442-W458 HydrophobicContact CE-CE3 3.73Å; M442-W458 HydrophobicContact CE-CZ3 4.23Å; M442-W458 HydrophobicContact SD-CD2 4.23Å; M442-W458 HydrophobicContact SD-CE3 4.11Å; V443-W458 HydrophobicContact CG2-CH2 3.9Å; V443-W458 HydrophobicContact CG2-CZ3 3.98Å; N446-W458 HydrophobicContact CB-CH2 4.38Å; N446-W458 HydrophobicContact CB-CZ2 3.96Å; I453-W458 HydrophobicContact CD1-CZ2 3.81Å; I453-W458 HydrophobicContact CG2-CD2 4.04Å; I453-W458 HydrophobicContact CG2-CG 3.9Å; P454-W458 PolarHBondContact O-N 2.83Å; N455-W458 WeakPolarHBondContact O-CB 3.39Å; N455-W458 PolarHBondContact O-N 3.44Å; W458-I460 PolarHBondContact O-N 2.9Å; W458-G461 PolarHBondContact O-N 3.34Å; W458-Y462 PolarHBondContact O-N 3.06Å
459T94.1Very high94.5Very high26 Ų2650.6 Ų50.616%0.1630%0.297CS..Hα-helixtrans-58.9-46.3178.5-59.60000112.6Y89 I93 N455 T456 Y462 W463Y89-T459 HydrophobicContact CE1-CG2 4.47Å; Y89-T459 WeakPolarHBondContact OH-CA 3.48Å; I93-T459 HydrophobicContact CD1-CG2 3.44Å; I93-T459 VanDerWaalsContact CD1-CG2 3.44Å; I93-T459 HydrophobicContact CG1-CG2 3.79Å; I93-T459 HydrophobicContact CG2-CG2 4.29Å; N455-T459 PolarHBondContact O-N 2.89Å; N455-T459 PolarHBondContact O-OG1 2.97Å; N455-T459 VanDerWaalsContact O-OG1 3.07Å; T456-T459 PolarHBondContact O-N 3.41Å; T459-Y462 PolarHBondContact O-N 3.15Å; T459-W463 PolarHBondContact O-N 3.45Å
460I95.4Very high94.7Very high108 Ų10849.7 Ų49.755%0.55429%0.29SS*.Hα-helixtrans-62.5-43.3177-70.9163.6000111T456 V457 W458 W463 L464T456-I460 HydrophobicContact CG2-CD1 4.22Å; T456-I460 WeakPolarHBondContact O-CD1 3.41Å; T456-I460 VanDerWaalsContact O-CG1 3.24Å; T456-I460 WeakPolarHBondContact O-CG1 3.19Å; T456-I460 PolarHBondContact O-N 3.39Å; V457-I460 PolarHBondContact O-N 3.16Å; W458-I460 PolarHBondContact O-N 2.9Å; I460-W463 PolarHBondContact O-N 2.92Å; I460-L464 WeakPolarHBondContact O-CB 3.37Å; I460-L464 PolarHBondContact O-N 3.38Å
461G96.9Very high95.1Very high4 Ų448.1 Ų48.14%0.04127%0.274CS..Hα-helixtrans-66.4-38.7178.500000113.4V457 W458 L464 C465V457-G461 PolarHBondContact O-N 3.42Å; W458-G461 PolarHBondContact O-N 3.34Å; G461-L464 WeakPolarHBondContact O-CB 3.34Å; G461-L464 PolarHBondContact O-N 2.89Å; G461-C465 PolarHBondContact O-N 3.28Å
462Y96.6Very high95.1Very high30 Ų3042.8 Ų42.812%0.11824%0.237CC..Hα-helixtrans-67.5-42.4176.6-152.3-65.4000111.1Y89 D112 Y113 Y439 W458 T459 L464 C465 Y466Y89-Y462 HydrophobicContact CD1-CD1 4.23Å; Y89-Y462 AromaticContact CE1-CD1 3.89Å; Y89-Y462 HydrophobicContact CE1-CD1 3.89Å; Y89-Y462 HydrophobicContact CE1-CG 4Å; Y89-Y462 AromaticContact CZ-CG 3.94Å; Y89-Y462 WeakPolarHBondContact OH-CB 3.48Å; D112-Y462 WeakPolarHBondContact OD2-CE1 3.12Å; D112-Y462 PolarHBondContact OD2-OH 3.17Å; Y113-Y462 VanDerWaalsContact CE2-OH 3.29Å; Y113-Y462 WeakPolarHBondContact CE2-OH 3.24Å; Y439-Y462 HydrophobicContact CD2-CD2 4.28Å; Y439-Y462 AromaticContact CE2-CD2 3.63Å; Y439-Y462 HydrophobicContact CE2-CD2 3.63Å; Y439-Y462 HydrophobicContact CE2-CE2 4.29Å; Y439-Y462 HydrophobicContact CE2-CG 4.43Å; W458-Y462 PolarHBondContact O-N 3.06Å; T459-Y462 PolarHBondContact O-N 3.15Å; Y462-L464 VanDerWaalsContact C-N 3.29Å; Y462-L464 PolarHBondContact O-N 2.84Å; Y462-C465 WeakPolarHBondContact O-CB 3.13Å; Y462-C465 PolarHBondContact O-N 2.99Å; Y462-Y466 HydrophobicContact CD1-CE1 4.09Å; Y462-Y466 HydrophobicContact CD1-CE2 4.2Å; Y462-Y466 AromaticContact CD1-CZ 3.86Å; Y462-Y466 AromaticContact CE1-CE1 3.64Å; Y462-Y466 HydrophobicContact CE1-CE1 3.64Å; Y462-Y466 HydrophobicContact CE1-CE2 4.28Å; Y462-Y466 AromaticContact CE1-CZ 3.49Å; Y462-Y466 VanDerWaalsContact CE1-CZ 3.49Å; Y462-Y466 WeakPolarHBondContact CE1-OH 3.33Å; Y462-Y466 PolarHBondContact O-N 2.81Å
463W97.4Very high95.1Very high29 Ų2939.2 Ų39.211%0.1121%0.213CC..Hα-helixtrans-61.3-35.3170.8-93.6102.2000113.5A39 M86 Y89 T90 T459 I460 C465 Y466 I467A39-W463 HydrophobicContact CB-CH2 3.63Å; A39-W463 HydrophobicContact CB-CZ2 3.77Å; A39-W463 HydrophobicContact CB-CZ3 4.36Å; M86-W463 HydrophobicContact CB-CH2 3.72Å; M86-W463 HydrophobicContact CB-CZ3 3.99Å; M86-W463 HydrophobicContact CG-CH2 4Å; M86-W463 HydrophobicContact CG-CZ3 3.72Å; M86-W463 WeakPolarHBondContact O-CH2 3.5Å; M86-W463 WeakPolarHBondContact O-CZ2 3.3Å; M86-W463 HydrophobicContact SD-CZ3 4.2Å; Y89-W463 AromaticContact CD1-CD1 3.76Å; Y89-W463 AromaticContact CD1-CE2 3.91Å; Y89-W463 HydrophobicContact CD1-CG 4.42Å; Y89-W463 HydrophobicContact CD1-CZ2 4.44Å; Y89-W463 AromaticContact CD1-NE1 3.4Å; Y89-W463 AromaticContact CE1-CD1 3.59Å; Y89-W463 HydrophobicContact CE1-CG 4.39Å; Y89-W463 AromaticContact CE1-NE1 3.69Å; T90-W463 VanDerWaalsContact OG1-CZ2 3.28Å; T90-W463 WeakPolarHBondContact OG1-CZ2 3.49Å; T459-W463 PolarHBondContact O-N 3.45Å; I460-W463 PolarHBondContact O-N 2.92Å; W463-C465 VanDerWaalsContact C-N 3.3Å; W463-C465 PolarHBondContact O-N 3Å; W463-Y466 HydrophobicContact CD2-CD2 4.28Å; W463-Y466 HydrophobicContact CE3-CD2 4.04Å; W463-Y466 HydrophobicContact CZ3-CD2 4.19Å; W463-Y466 WeakPolarHBondContact O-CB 3.4Å; W463-Y466 PolarHBondContact O-N 3.25Å; W463-Y466 VanDerWaalsContact O-N 3.16Å; W463-I467 WeakPolarHBondContact O-CG1 3.24Å; W463-I467 PolarHBondContact O-N 3.07Å
464L97.1Very high94.9Very high53 Ų5340.9 Ų40.928%0.27723%0.228SC..Hα-helixtrans-64.1-37.2177-165.968000111.5T435 P438 I460 G461 Y462 Y466 I467T435-L464 VanDerWaalsContact CB-O 3.32Å; T435-L464 WeakPolarHBondContact CB-O 3.48Å; T435-L464 HydrophobicContact CG2-CD1 4.35Å; T435-L464 HydrophobicContact CG2-CG 4.33Å; T435-L464 WeakPolarHBondContact O-CD2 3.44Å; T435-L464 WeakPolarHBondContact O-CG 3.48Å; P438-L464 HydrophobicContact CB-CD2 4.15Å; P438-L464 HydrophobicContact CG-CD2 3.69Å; I460-L464 WeakPolarHBondContact O-CB 3.37Å; I460-L464 PolarHBondContact O-N 3.38Å; G461-L464 WeakPolarHBondContact O-CB 3.34Å; G461-L464 PolarHBondContact O-N 2.89Å; Y462-L464 VanDerWaalsContact C-N 3.29Å; Y462-L464 PolarHBondContact O-N 2.84Å; L464-Y466 VanDerWaalsContact C-N 3.33Å; L464-Y466 PolarHBondContact O-N 2.73Å; L464-I467 HydrophobicContact CD1-CD1 4.47Å; L464-I467 PolarHBondContact O-N 3.42Å
465C97.5Very high94.6Very high16 Ų1637.9 Ų37.911%0.10821%0.209CC..Hα-helixtrans-59.2-41.4171.5-66.90000112.5W436 Y439 G461 Y462 W463 N468W436-C465 HydrophobicContact CG-CB 4.42Å; W436-C465 PolarHBondContact NE1-O 3.17Å; Y439-C465 VanDerWaalsContact CB-SG 3.55Å; G461-C465 PolarHBondContact O-N 3.28Å; Y462-C465 WeakPolarHBondContact O-CB 3.13Å; Y462-C465 PolarHBondContact O-N 2.99Å; W463-C465 VanDerWaalsContact C-N 3.3Å; W463-C465 PolarHBondContact O-N 3Å; C465-N468 VanDerWaalsContact O-CB 3.22Å; C465-N468 WeakPolarHBondContact O-CB 3.29Å; C465-N468 PolarHBondContact O-N 2.9Å
466Y97.9Very high94.5Very high4 Ų431.8 Ų31.82%0.01618%0.176CC..Hα-helixtrans-66.7-36.5175.2-67.9-17.8000113.1I81 S85 M86 Y89 D112 Y462 W463 L464 N468 S469I81-Y466 HydrophobicContact CG2-CD1 3.63Å; I81-Y466 HydrophobicContact CG2-CE1 4.19Å; I81-Y466 HydrophobicContact CG2-CG 4.04Å; S85-Y466 WeakPolarHBondContact CB-OH 3.47Å; M86-Y466 HydrophobicContact CB-CD2 4.49Å; M86-Y466 VanDerWaalsContact CE-O 3.22Å; M86-Y466 WeakPolarHBondContact CE-O 3.41Å; M86-Y466 HydrophobicContact CG-CD2 3.82Å; M86-Y466 HydrophobicContact CG-CE2 4.5Å; M86-Y466 HydrophobicContact CG-CG 4.11Å; Y89-Y466 HydrophobicContact CD1-CD2 4.41Å; Y89-Y466 AromaticContact CD1-CE2 3.75Å; Y89-Y466 HydrophobicContact CD1-CE2 3.75Å; Y89-Y466 HydrophobicContact CG-CE2 4.06Å; D112-Y466 WeakPolarHBondContact OD1-CE1 3.45Å; D112-Y466 WeakPolarHBondContact OD2-CE1 3.28Å; D112-Y466 PolarHBondContact OD2-OH 3.43Å; Y462-Y466 HydrophobicContact CD1-CE1 4.09Å; Y462-Y466 HydrophobicContact CD1-CE2 4.2Å; Y462-Y466 AromaticContact CD1-CZ 3.86Å; Y462-Y466 AromaticContact CE1-CE1 3.64Å; Y462-Y466 HydrophobicContact CE1-CE1 3.64Å; Y462-Y466 HydrophobicContact CE1-CE2 4.28Å; Y462-Y466 AromaticContact CE1-CZ 3.49Å; Y462-Y466 VanDerWaalsContact CE1-CZ 3.49Å; Y462-Y466 WeakPolarHBondContact CE1-OH 3.33Å; Y462-Y466 PolarHBondContact O-N 2.81Å; W463-Y466 HydrophobicContact CD2-CD2 4.28Å; W463-Y466 HydrophobicContact CE3-CD2 4.04Å; W463-Y466 HydrophobicContact CZ3-CD2 4.19Å; W463-Y466 WeakPolarHBondContact O-CB 3.4Å; W463-Y466 PolarHBondContact O-N 3.25Å; W463-Y466 VanDerWaalsContact O-N 3.16Å; L464-Y466 VanDerWaalsContact C-N 3.33Å; L464-Y466 PolarHBondContact O-N 2.73Å; Y466-N468 PolarHBondContact O-N 3.25Å; Y466-N468 VanDerWaalsContact O-N 3.11Å; Y466-S469 WeakPolarHBondContact O-CB 3.32Å; Y466-S469 PolarHBondContact O-N 2.68Å
467I96.8Very high94.2Very high46 Ų4629 Ų2924%0.23616%0.161CC..Hα-helixtrans-60.2-23179.2-74.5167.4000112.5L42 W463 L464 S469 T470 I471L42-I467 HydrophobicContact CD1-CD1 4.18Å; L42-I467 HydrophobicContact CD1-CG1 4.19Å; W463-I467 WeakPolarHBondContact O-CG1 3.24Å; W463-I467 PolarHBondContact O-N 3.07Å; L464-I467 HydrophobicContact CD1-CD1 4.47Å; L464-I467 PolarHBondContact O-N 3.42Å; I467-S469 VanDerWaalsContact C-N 3.26Å; I467-S469 PolarHBondContact O-N 2.92Å; I467-T470 WeakPolarHBondContact O-CB 3.47Å; I467-T470 PolarHBondContact O-N 3.5Å; I467-T470 VanDerWaalsContact O-N 3.09Å; I467-I471 HydrophobicContact CG2-CD1 3.79Å; I467-I471 HydrophobicContact CG2-CG1 4.22Å; I467-I471 WeakPolarHBondContact O-CG1 3.18Å; I467-I471 PolarHBondContact O-N 3.24Å; I467-I471 VanDerWaalsContact O-N 3.08Å
468N95.4Very high93.6Very high1 Ų132.3 Ų32.31%0.00518%0.176CC..Hα-helixtrans-51.5-44.7169.3-176.257.9000112.6F432 T435 C465 Y466 T470 I471 N472F432-N468 WeakPolarHBondContact CA-OD1 3.5Å; F432-N468 PolarHBondContact N-OD1 3.48Å; T435-N468 HydrophobicContact CG2-CB 4.46Å; T435-N468 WeakPolarHBondContact OG1-CB 3.44Å; C465-N468 VanDerWaalsContact O-CB 3.22Å; C465-N468 WeakPolarHBondContact O-CB 3.29Å; C465-N468 PolarHBondContact O-N 2.9Å; Y466-N468 PolarHBondContact O-N 3.25Å; Y466-N468 VanDerWaalsContact O-N 3.11Å; N468-T470 VanDerWaalsContact C-N 3.27Å; N468-T470 PolarHBondContact O-N 2.88Å; N468-I471 PolarHBondContact O-N 2.95Å; N468-I471 VanDerWaalsContact O-N 3.13Å; N468-N472 PolarHBondContact O-N 3.08Å; N468-N472 VanDerWaalsContact O-N 3.14Å
469S95.9Very high92.9Very high6 Ų632.1 Ų32.14%0.04218%0.182CC..Hα-helixtrans-68.1-26-179.8-64.20000113N50 D78 Y466 I467 P473N50-S469 PolarHBondContact ND2-O 3.41Å; N50-S469 VanDerWaalsContact ND2-O 3.11Å; D78-S469 WeakPolarHBondContact OD1-CA 3.42Å; D78-S469 VanDerWaalsContact OD1-CB 3.22Å; D78-S469 WeakPolarHBondContact OD1-CB 3.46Å; D78-S469 PolarHBondContact OD1-OG 3Å; Y466-S469 WeakPolarHBondContact O-CB 3.32Å; Y466-S469 PolarHBondContact O-N 2.68Å; I467-S469 VanDerWaalsContact C-N 3.26Å; I467-S469 PolarHBondContact O-N 2.92Å; S469-P473 WeakPolarHBondContact O-CD 3.24Å
470T96.3Very high92.5Very high20 Ų2033.1 Ų33.112%0.12319%0.186CC..Hα-helixtrans-73.6-37.3171-38.40000111.9L42 V45 T46 I467 N468L42-T470 HydrophobicContact CD2-CG2 4.36Å; V45-T470 HydrophobicContact CB-CG2 4.24Å; V45-T470 HydrophobicContact CG1-CG2 3.74Å; T46-T470 WeakPolarHBondContact OG1-CA 3.03Å; T46-T470 WeakPolarHBondContact OG1-CB 3.43Å; T46-T470 WeakPolarHBondContact OG1-CG2 3.42Å; T46-T470 PolarHBondContact OG1-OG1 3.18Å; I467-T470 WeakPolarHBondContact O-CB 3.47Å; I467-T470 PolarHBondContact O-N 3.5Å; I467-T470 VanDerWaalsContact O-N 3.09Å; N468-T470 VanDerWaalsContact C-N 3.27Å; N468-T470 PolarHBondContact O-N 2.88Å
471I94.9Very high92Very high56 Ų5632.9 Ų32.929%0.28719%0.19SC..Hα-helixtrans-75.1-34.2-175.8-68.4167.6000112.1A431 T435 I467 N468 A474 C475A431-I471 HydrophobicContact CB-CG2 3.78Å; T435-I471 HydrophobicContact CG2-CD1 4.06Å; I467-I471 HydrophobicContact CG2-CD1 3.79Å; I467-I471 HydrophobicContact CG2-CG1 4.22Å; I467-I471 WeakPolarHBondContact O-CG1 3.18Å; I467-I471 PolarHBondContact O-N 3.24Å; I467-I471 VanDerWaalsContact O-N 3.08Å; N468-I471 PolarHBondContact O-N 2.95Å; N468-I471 VanDerWaalsContact O-N 3.13Å; I471-A474 WeakPolarHBondContact O-CA 3.24Å; I471-A474 WeakPolarHBondContact O-CB 3.45Å; I471-A474 PolarHBondContact O-N 3.02Å; I471-C475 PolarHBondContact O-N 3.33Å
472N91.6Very high91.4Very high0 Ų035.5 Ų35.50%021%0.205CC..Hα-helixtrans-51.5-52.2-175.1-83.8-25.4000114.5D78 N468 A474 C475 Y476D78-N472 WeakPolarHBondContact OD2-CB 3.5Å; D78-N472 PolarHBondContact OD2-ND2 3.15Å; N468-N472 PolarHBondContact O-N 3.08Å; N468-N472 VanDerWaalsContact O-N 3.14Å; N472-A474 VanDerWaalsContact C-N 3.29Å; N472-A474 PolarHBondContact O-N 3.33Å; N472-C475 WeakPolarHBondContact O-CB 3.43Å; N472-C475 PolarHBondContact O-N 3.44Å; N472-Y476 HydrophobicContact CB-CE2 4.4Å; N472-Y476 WeakPolarHBondContact O-CD1 3.3Å; N472-Y476 WeakPolarHBondContact O-CD2 3.49Å; N472-Y476 WeakPolarHBondContact O-CE1 3.5Å; N472-Y476 VanDerWaalsContact O-CG 3.31Å; N472-Y476 PolarHBondContact O-N 2.86Å
473P93.2Very high91Very high7 Ų734.1 Ų34.15%0.04520%0.199CC..Hα-helixtrans-55.4-38.2173.7-29.236.3000114.6G49 N50 V53 S469 Y476 A477G49-P473 VanDerWaalsContact C-CG 3.5Å; N50-P473 HydrophobicContact CB-CG 4.49Å; N50-P473 WeakPolarHBondContact OD1-CG 3.26Å; V53-P473 HydrophobicContact CG2-CB 3.97Å; V53-P473 HydrophobicContact CG2-CG 4.19Å; S469-P473 WeakPolarHBondContact O-CD 3.24Å; P473-Y476 PolarHBondContact O-N 3.49Å; P473-A477 WeakPolarHBondContact O-CB 3.47Å; P473-A477 PolarHBondContact O-N 3.45Å
474A90.1Very high90.6Very high48 Ų4839 Ų3940%0.39722%0.222SC..Hα-helixtrans-68.1-41.717900000111.3I471 N472 Y476 A477 L478I471-A474 WeakPolarHBondContact O-CA 3.24Å; I471-A474 WeakPolarHBondContact O-CB 3.45Å; I471-A474 PolarHBondContact O-N 3.02Å; N472-A474 VanDerWaalsContact C-N 3.29Å; N472-A474 PolarHBondContact O-N 3.33Å; A474-Y476 VanDerWaalsContact C-N 3.3Å; A474-Y476 PolarHBondContact O-N 3.26Å; A474-A477 PolarHBondContact O-N 3.06Å; A474-L478 WeakPolarHBondContact O-CB 3.24Å; A474-L478 VanDerWaalsContact O-CG 3.25Å; A474-L478 WeakPolarHBondContact O-CG 3.48Å; A474-L478 PolarHBondContact O-N 3.17Å
475C88.6Confident90.2Very high15 Ų1543.1 Ų43.110%0.10124%0.237CC..Hα-helixtrans-56.1-43.6172.3-71.60000111.9I428 I471 N472 C479I428-C475 HydrophobicContact CG1-CB 3.91Å; I471-C475 PolarHBondContact O-N 3.33Å; N472-C475 WeakPolarHBondContact O-CB 3.43Å; N472-C475 PolarHBondContact O-N 3.44Å; C475-C479 VanDerWaalsContact O-CB 3.29Å; C475-C479 WeakPolarHBondContact O-CB 3.38Å; C475-C479 PolarHBondContact O-N 3.35Å; C475-C479 VanDerWaalsContact O-N 3.11Å
476Y86.9Confident89.8Confident2 Ų242.5 Ų42.51%0.00823%0.233CC..Hα-helixtrans-66.7-45.7178.9-48.7-24.8000111.9V53 L71 L74 I428 N472 P473 A474 N480V53-Y476 HydrophobicContact CB-CD2 4.47Å; V53-Y476 HydrophobicContact CG1-CD2 3.92Å; V53-Y476 HydrophobicContact CG1-CE2 4.02Å; V53-Y476 HydrophobicContact CG2-CD2 3.62Å; V53-Y476 HydrophobicContact CG2-CE2 4.04Å; L71-Y476 HydrophobicContact CD1-CD1 4.35Å; L71-Y476 HydrophobicContact CD1-CE1 4.44Å; L71-Y476 HydrophobicContact CD2-CD1 4.45Å; L71-Y476 HydrophobicContact CD2-CE1 3.77Å; L74-Y476 VanDerWaalsContact CD2-OH 3.31Å; L74-Y476 WeakPolarHBondContact CD2-OH 3.37Å; I428-Y476 HydrophobicContact CD1-CD1 4Å; I428-Y476 HydrophobicContact CD1-CE1 3.6Å; I428-Y476 HydrophobicContact CG1-CD1 4.48Å; I428-Y476 HydrophobicContact CG1-CE1 4.05Å; N472-Y476 HydrophobicContact CB-CE2 4.4Å; N472-Y476 WeakPolarHBondContact O-CD1 3.3Å; N472-Y476 WeakPolarHBondContact O-CD2 3.49Å; N472-Y476 WeakPolarHBondContact O-CE1 3.5Å; N472-Y476 VanDerWaalsContact O-CG 3.31Å; N472-Y476 PolarHBondContact O-N 2.86Å; P473-Y476 PolarHBondContact O-N 3.49Å; A474-Y476 VanDerWaalsContact C-N 3.3Å; A474-Y476 PolarHBondContact O-N 3.26Å; Y476-N480 WeakPolarHBondContact O-CB 3.4Å; Y476-N480 PolarHBondContact O-N 3.06Å
477A85.9Confident89.4Confident17 Ų1743.4 Ų43.414%0.1424%0.237CC..Hα-helixtrans-67.9-37-17900000113.2P473 A474 K484 F487P473-A477 WeakPolarHBondContact O-CB 3.47Å; P473-A477 PolarHBondContact O-N 3.45Å; A474-A477 PolarHBondContact O-N 3.06Å; A477-K484 WeakPolarHBondContact O-CB 3.49Å; A477-F487 HydrophobicContact CB-CD2 3.98Å; A477-F487 HydrophobicContact CB-CE2 3.86Å
478L82.8Confident89Confident139 Ų13947.9 Ų47.973%0.72825%0.254SS*.Hα-helixtrans-74.9-37.6179.2-68.9173000112.4A474A474-L478 WeakPolarHBondContact O-CB 3.24Å; A474-L478 VanDerWaalsContact O-CG 3.25Å; A474-L478 WeakPolarHBondContact O-CG 3.48Å; A474-L478 PolarHBondContact O-N 3.17Å
479C80.7Confident88.7Confident48 Ų4850.5 Ų50.532%0.32427%0.267SS..Hα-helixtrans-93.1-19.3-174.9-68.30000114.5T424 C475T424-C479 HydrophobicContact CG2-CB 3.71Å; T424-C479 WeakPolarHBondContact OG1-CB 3.35Å; C475-C479 VanDerWaalsContact O-CB 3.29Å; C475-C479 WeakPolarHBondContact O-CB 3.38Å; C475-C479 PolarHBondContact O-N 3.35Å; C475-C479 VanDerWaalsContact O-N 3.11Å
480N83.8Confident88.3Confident47 Ų4750.7 Ų50.725%0.25127%0.267SS..  trans-121.5108.1-179.6-172.3-19.2000112.7Y476 T482 F483 K484Y476-N480 WeakPolarHBondContact O-CB 3.4Å; Y476-N480 PolarHBondContact O-N 3.06Å; N480-T482 PolarHBondContact O-N 3.16Å; N480-T482 WeakPolarHBondContact OD1-CB 3.49Å; N480-T482 PolarHBondContact OD1-N 2.94Å; N480-F483 HydrophobicContact CB-CB 4.32Å; N480-F483 HydrophobicContact CB-CD2 3.94Å; N480-F483 WeakPolarHBondContact ND2-CD2 3.35Å; N480-F483 PolarHBondContact O-N 2.97Å; N480-K484 PolarHBondContact O-N 2.91Å
481V84.8Confident87.9Confident103 Ų10355.4 Ų55.462%0.62429%0.291SS*.Hα-helixtrans-57-31.6179.6-177.30000112.9K484 K485V481-K484 PolarHBondContact O-N 3.19Å; V481-K485 WeakPolarHBondContact O-CG 3.41Å; V481-K485 PolarHBondContact O-N 3Å
482T86.3Confident87.7Confident58 Ų5857.2 Ų57.236%0.35630%0.3SS..Hα-helixtrans-72.1-38.2178.2-51.50000111.4L63 N480 T486L63-T482 HydrophobicContact CD1-CG2 4.4Å; L63-T482 HydrophobicContact CD2-CG2 3.62Å; L63-T482 HydrophobicContact CG-CG2 3.86Å; N480-T482 PolarHBondContact O-N 3.16Å; N480-T482 WeakPolarHBondContact OD1-CB 3.49Å; N480-T482 PolarHBondContact OD1-N 2.94Å; T482-T486 WeakPolarHBondContact O-CB 3.46Å; T482-T486 PolarHBondContact O-N 3.02Å; T482-T486 PolarHBondContact O-OG1 2.82Å
483F87.9Confident87.3Confident1 Ų162 Ų620%0.00433%0.333CS..Hα-helixtrans-63.3-49.4168.7-87.3-73.7000110.5V53 I57 L63 L71 N480 K485 T486 F487V53-F483 HydrophobicContact CG1-CE1 4.16Å; V53-F483 HydrophobicContact CG1-CZ 4.49Å; I57-F483 HydrophobicContact CD1-CE1 4.26Å; I57-F483 HydrophobicContact CD1-CZ 3.95Å; I57-F483 HydrophobicContact CG1-CE1 3.84Å; I57-F483 HydrophobicContact CG1-CZ 3.7Å; L63-F483 HydrophobicContact CD1-CD1 3.85Å; L63-F483 HydrophobicContact CD1-CE1 3.91Å; L63-F483 HydrophobicContact CD1-CG 4.18Å; L63-F483 HydrophobicContact CD1-CZ 4.27Å; L63-F483 HydrophobicContact CD2-CD2 4Å; L63-F483 HydrophobicContact CD2-CE2 3.97Å; L63-F483 HydrophobicContact CD2-CG 4.39Å; L63-F483 HydrophobicContact CD2-CZ 4.35Å; L71-F483 HydrophobicContact CD1-CE2 4.35Å; N480-F483 HydrophobicContact CB-CB 4.32Å; N480-F483 HydrophobicContact CB-CD2 3.94Å; N480-F483 WeakPolarHBondContact ND2-CD2 3.35Å; N480-F483 PolarHBondContact O-N 2.97Å; F483-K485 VanDerWaalsContact C-N 3.33Å; F483-K485 PolarHBondContact O-N 3.14Å; F483-T486 PolarHBondContact O-N 2.84Å; F483-F487 HydrophobicContact CD1-CD1 4.46Å; F483-F487 AromaticContact CD1-CE1 3.88Å; F483-F487 HydrophobicContact CD1-CE1 3.88Å; F483-F487 WeakPolarHBondContact O-CD1 3.39Å; F483-F487 PolarHBondContact O-N 2.89Å
484K88.9Confident86.8Confident133 Ų13365.1 Ų65.158%0.57835%0.347SS*.Hα-helixtrans-54.8-43.4178.9-167.1168.1-177.4169.50113.6A477 N480 V481 K488A477-K484 WeakPolarHBondContact O-CB 3.49Å; N480-K484 PolarHBondContact O-N 2.91Å; V481-K484 PolarHBondContact O-N 3.19Å; K484-K488 PolarHBondContact O-N 2.78Å
485K88.3Confident85.9Confident139 Ų13967.7 Ų67.760%0.60435%0.347SS*.Hα-helixtrans-65.2-45.4174-75.6-170.2175.4-1680111.8V481 F483 K488 H489V481-K485 WeakPolarHBondContact O-CG 3.41Å; V481-K485 PolarHBondContact O-N 3Å; F483-K485 VanDerWaalsContact C-N 3.33Å; F483-K485 PolarHBondContact O-N 3.14Å; K485-K488 PolarHBondContact O-N 2.78Å; K485-H489 PolarHBondContact O-CD2 2.68Å; K485-H489 PolarHBondContact O-N 2.89Å
486T88.2Confident84.6Confident2 Ų277.6 Ų77.61%0.01238%0.382CS..Hα-helixtrans-63.4-45.6-179.1-49.70000110.8S56 N60 L63 T482 F483 K488 H489 L490 I498S56-T486 WeakPolarHBondContact OG-CG2 3.46Å; N60-T486 HydrophobicContact CB-CG2 4.03Å; N60-T486 PolarHBondContact ND2-OG1 3.04Å; L63-T486 HydrophobicContact CD1-CG2 4.45Å; T482-T486 WeakPolarHBondContact O-CB 3.46Å; T482-T486 PolarHBondContact O-N 3.02Å; T482-T486 PolarHBondContact O-OG1 2.82Å; F483-T486 PolarHBondContact O-N 2.84Å; T486-K488 PolarHBondContact O-N 2.86Å; T486-H489 PolarHBondContact O-N 2.87Å; T486-H489 VanDerWaalsContact O-N 3.13Å; T486-L490 HydrophobicContact CG2-CD1 4.23Å; T486-L490 HydrophobicContact CG2-CG 4.34Å; T486-L490 WeakPolarHBondContact O-CG 3.44Å; T486-L490 PolarHBondContact O-N 2.93Å; T486-I498 HydrophobicContact CG2-CD1 4.23Å; T486-I498 HydrophobicContact CG2-CG2 4.32Å
487F90Very high83.4Confident24 Ų2481.5 Ų81.511%0.10540%0.403CS..Hα-helixtrans-53.8-49.8173.3-81.728.4000111.6L52 V53 S56 A477 F483 H489 L490 L491L52-F487 HydrophobicContact CB-CD1 4.29Å; L52-F487 HydrophobicContact CB-CE1 3.94Å; L52-F487 HydrophobicContact CB-CE2 4.21Å; L52-F487 HydrophobicContact CB-CZ 3.9Å; L52-F487 WeakPolarHBondContact O-CE1 3.24Å; V53-F487 HydrophobicContact CG2-CE1 4.39Å; V53-F487 HydrophobicContact CG2-CZ 3.82Å; S56-F487 VanDerWaalsContact OG-CD1 3.24Å; S56-F487 WeakPolarHBondContact OG-CD1 3.35Å; S56-F487 WeakPolarHBondContact OG-CE1 3.47Å; A477-F487 HydrophobicContact CB-CD2 3.98Å; A477-F487 HydrophobicContact CB-CE2 3.86Å; F483-F487 HydrophobicContact CD1-CD1 4.46Å; F483-F487 AromaticContact CD1-CE1 3.88Å; F483-F487 HydrophobicContact CD1-CE1 3.88Å; F483-F487 WeakPolarHBondContact O-CD1 3.39Å; F483-F487 PolarHBondContact O-N 2.89Å; F487-H489 VanDerWaalsContact C-N 3.33Å; F487-H489 PolarHBondContact O-N 3.47Å; F487-L490 PolarHBondContact O-N 3.08Å; F487-L491 WeakPolarHBondContact O-CB 3.42Å; F487-L491 WeakPolarHBondContact O-CG 3.4Å; F487-L491 PolarHBondContact O-N 3.18Å
488K88.8Confident82.3Confident139 Ų13981.3 Ų81.360%0.60440%0.4SS*.Hα-helixtrans-60.2-40177.6-177.4171.9-179.61770112.4K484 K485 T486 L492K484-K488 PolarHBondContact O-N 2.78Å; K485-K488 PolarHBondContact O-N 2.78Å; T486-K488 PolarHBondContact O-N 2.86Å; K488-L492 HydrophobicContact CD-CD1 4.43Å; K488-L492 HydrophobicContact CG-CD1 3.84Å; K488-L492 WeakPolarHBondContact O-CB 3.4Å; K488-L492 VanDerWaalsContact O-CG 3.26Å; K488-L492 WeakPolarHBondContact O-CG 3.32Å; K488-L492 PolarHBondContact O-N 3.22Å
489H88.1Confident81.2Confident57 Ų5785 Ų8526%0.26440%0.404SS..Hα-helixtrans-72.8-33.8177.6-68.7-62.7000113K485 T486 F487 C493 Q494 I498K485-H489 PolarHBondContact O-CD2 2.68Å; K485-H489 PolarHBondContact O-N 2.89Å; T486-H489 PolarHBondContact O-N 2.87Å; T486-H489 VanDerWaalsContact O-N 3.13Å; F487-H489 VanDerWaalsContact C-N 3.33Å; F487-H489 PolarHBondContact O-N 3.47Å; H489-C493 PolarHBondContact O-N 2.86Å; H489-Q494 HydrophobicContact CB-CB 4.2Å; H489-Q494 PolarHBondContact ND1-OE1 2.95Å; H489-Q494 PolarHBondContact O-N 3.49Å; H489-I498 HydrophobicContact CB-CD1 3.64Å; H489-I498 HydrophobicContact CB-CG1 3.51Å
490L87.8Confident79.8Confident9 Ų987.3 Ų87.35%0.04742%0.421CS..Hα-helixtrans-65.8-48.3174.4-68174.5000111.2L52 L55 S56 T486 F487 L492 C493 Y495 I498L52-L490 HydrophobicContact CD2-CB 4.06Å; L52-L490 HydrophobicContact CD2-CD1 4.12Å; L55-L490 HydrophobicContact CB-CD1 4.05Å; S56-L490 VanDerWaalsContact OG-CD1 3.31Å; S56-L490 WeakPolarHBondContact OG-CD1 3.37Å; T486-L490 HydrophobicContact CG2-CD1 4.23Å; T486-L490 HydrophobicContact CG2-CG 4.34Å; T486-L490 WeakPolarHBondContact O-CG 3.44Å; T486-L490 PolarHBondContact O-N 2.93Å; F487-L490 PolarHBondContact O-N 3.08Å; L490-L492 PolarHBondContact O-N 3.36Å; L490-C493 PolarHBondContact O-N 2.89Å; L490-Y495 HydrophobicContact CD2-CD1 3.99Å; L490-Y495 HydrophobicContact CD2-CE1 3.33Å; L490-Y495 HydrophobicContact CD2-CE2 4.24Å; L490-Y495 VanDerWaalsContact CD2-CZ 3.47Å; L490-I498 HydrophobicContact CD2-CD1 3.83Å; L490-I498 HydrophobicContact CG-CD1 4.12Å
491L88.5Confident78.3Confident119 Ų11988.5 Ų88.562%0.62344%0.437SS*.Hα-helixtrans-65.6-21.8178.6-70.3170.3000113.8L52 F487L52-L491 HydrophobicContact CD1-CD2 4.15Å; L52-L491 HydrophobicContact CD1-CG 4.44Å; L52-L491 HydrophobicContact CD2-CD2 4.3Å; L52-L491 HydrophobicContact CD2-CG 4.38Å; F487-L491 WeakPolarHBondContact O-CB 3.42Å; F487-L491 WeakPolarHBondContact O-CG 3.4Å; F487-L491 PolarHBondContact O-N 3.18Å
492L89.7Confident76.5Confident94 Ų9497.3 Ų97.349%0.49246%0.459SS..THydrogen-bonded Turntrans-99.212.7173.2-63.7175.1000112.8K488 L490 Q494K488-L492 HydrophobicContact CD-CD1 4.43Å; K488-L492 HydrophobicContact CG-CD1 3.84Å; K488-L492 WeakPolarHBondContact O-CB 3.4Å; K488-L492 VanDerWaalsContact O-CG 3.26Å; K488-L492 WeakPolarHBondContact O-CG 3.32Å; K488-L492 PolarHBondContact O-N 3.22Å; L490-L492 PolarHBondContact O-N 3.36Å; L492-Q494 HydrophobicContact CB-CG 3.95Å; L492-Q494 WeakPolarHBondContact O-CG 3.21Å; L492-Q494 PolarHBondContact O-N 3.15Å
493C84.9Confident76Confident101 Ų10199.3 Ų99.368%0.68247%0.465SS*.THydrogen-bonded Turntrans55.118-177.5-64.40000115.7H489 L490 Y495H489-C493 PolarHBondContact O-N 2.86Å; L490-C493 PolarHBondContact O-N 2.89Å; C493-Y495 PolarHBondContact O-N 3.17Å
494Q82.4Confident75.4Confident73 Ų73104.5 Ų104.534%0.34149%0.489SS..  trans-80.943-174.7-61.7-170.8-8.600113.8H489 L492 R496 N497H489-Q494 HydrophobicContact CB-CB 4.2Å; H489-Q494 PolarHBondContact ND1-OE1 2.95Å; H489-Q494 PolarHBondContact O-N 3.49Å; L492-Q494 HydrophobicContact CB-CG 3.95Å; L492-Q494 WeakPolarHBondContact O-CG 3.21Å; L492-Q494 PolarHBondContact O-N 3.15Å; Q494-R496 VanDerWaalsContact C-N 3.25Å; Q494-R496 PolarHBondContact O-N 3.48Å; Q494-R496 VanDerWaalsContact O-N 3.16Å; Q494-N497 HydrophobicContact CB-CB 4.32Å; Q494-N497 WeakPolarHBondContact O-CB 3.37Å; Q494-N497 PolarHBondContact O-N 2.87Å; Q494-N497 PolarHBondContact OE1-ND2 2.96Å
495Y69.9Low74.6Confident102 Ų102102.9 Ų102.940%0.448%0.484SS..Hα-helixtrans-55.2-35.1-175.7-76.5-97.3000113.7V59 L490 C493 N497 I498 R499V59-Y495 HydrophobicContact CG1-CD1 4.14Å; V59-Y495 HydrophobicContact CG2-CD1 4.22Å; V59-Y495 HydrophobicContact CG2-CE1 4Å; L490-Y495 HydrophobicContact CD2-CD1 3.99Å; L490-Y495 HydrophobicContact CD2-CE1 3.33Å; L490-Y495 HydrophobicContact CD2-CE2 4.24Å; L490-Y495 VanDerWaalsContact CD2-CZ 3.47Å; C493-Y495 PolarHBondContact O-N 3.17Å; Y495-N497 VanDerWaalsContact C-N 3.31Å; Y495-N497 PolarHBondContact O-N 3.03Å; Y495-I498 PolarHBondContact O-N 2.83Å; Y495-R499 PolarHBondContact O-N 3.47Å
496R61.6Low73.8Confident222 Ų222100.8 Ų100.884%0.83848%0.477SS*.Hα-helixtrans-58.6-40175.2-75.1176.768.8161.6-1.4112.2Q494 I498 R499 S500Q494-R496 VanDerWaalsContact C-N 3.25Å; Q494-R496 PolarHBondContact O-N 3.48Å; Q494-R496 VanDerWaalsContact O-N 3.16Å; R496-I498 PolarHBondContact O-N 3.39Å; R496-R499 PolarHBondContact O-N 3.3Å; R496-S500 VanDerWaalsContact O-CB 3.26Å; R496-S500 WeakPolarHBondContact O-CB 3.05Å; R496-S500 PolarHBondContact O-N 2.03Å
497N62.6Low72.9Confident84 Ų84106.9 Ų106.945%0.44951%0.506SS..Hα-helixtrans-69.7-33.3-177.6-63.6-9.5000111.8Q494 Y495 R499 A501Q494-N497 HydrophobicContact CB-CB 4.32Å; Q494-N497 WeakPolarHBondContact O-CB 3.37Å; Q494-N497 PolarHBondContact O-N 2.87Å; Q494-N497 PolarHBondContact OE1-ND2 2.96Å; Y495-N497 VanDerWaalsContact C-N 3.31Å; Y495-N497 PolarHBondContact O-N 3.03Å; N497-R499 VanDerWaalsContact C-N 3.35Å; N497-A501 WeakPolarHBondContact O-CB 3.02Å; N497-A501 PolarHBondContact O-N 3.38Å
498I63.4Low71.8Confident13 Ų13112.5 Ų112.57%0.06753%0.532CS..Hα-helixtrans-66.5-38.1176.7-49175.4000111.1V59 N60 T486 H489 L490 Y495 R496V59-I498 HydrophobicContact CG1-CB 4.21Å; V59-I498 HydrophobicContact CG1-CD1 4.19Å; V59-I498 HydrophobicContact CG1-CG2 3.93Å; N60-I498 HydrophobicContact CB-CG2 3.81Å; T486-I498 HydrophobicContact CG2-CD1 4.23Å; T486-I498 HydrophobicContact CG2-CG2 4.32Å; H489-I498 HydrophobicContact CB-CD1 3.64Å; H489-I498 HydrophobicContact CB-CG1 3.51Å; L490-I498 HydrophobicContact CD2-CD1 3.83Å; L490-I498 HydrophobicContact CG-CD1 4.12Å; Y495-I498 PolarHBondContact O-N 2.83Å; R496-I498 PolarHBondContact O-N 3.39Å
499R58.3Low70.6Confident216 Ų216110.6 Ų110.682%0.81553%0.527SS*.Hα-helixtrans-85.2-22.4-177.6-159.9174.7-175.5177.90.5113.4Y495 R496 N497Y495-R499 PolarHBondContact O-N 3.47Å; R496-R499 PolarHBondContact O-N 3.3Å; N497-R499 VanDerWaalsContact C-N 3.35Å
500S51.4Low69.2Low97 Ų97114.7 Ų114.768%0.67855%0.548SS*.Hα-helixtrans-98.2-8.3-178-161.30000114.7R496 R502R496-S500 VanDerWaalsContact O-CB 3.26Å; R496-S500 WeakPolarHBondContact O-CB 3.05Å; R496-S500 PolarHBondContact O-N 2.03Å; S500-R502 PolarHBondContact O-N 3.43Å; S500-R502 VanDerWaalsContact O-N 3.12Å
501A52Low67.7Low72 Ų72123.5 Ų123.560%0.59559%0.589SS**  trans-76.691169.600000109.7N497N497-A501 WeakPolarHBondContact O-CB 3.02Å; N497-A501 PolarHBondContact O-N 3.38Å
502R47.3Very low65.8Low289 Ų289123.9 Ų123.9100%1.09159%0.586SS**  trans-137.90-171.6-160.4176.7-169.8-169.2-0.8111.8S500S500-R502 PolarHBondContact O-N 3.43Å; S500-R502 VanDerWaalsContact O-N 3.12Å

Retrieved 502 of 502 residues in 73.2 ms (Link to these results)