A0A077YX81_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077YX81, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 168 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M43.7Very low43.2Very low254 Ų254148.5 Ų148.5100%1.25182%0.818SS**  0114.90-73.3174.4172.700106.6
2A39.3Very low42.5Very low95 Ų95147.1 Ų147.179%0.78581%0.809SS**  trans-118.7135.4-154.300000112.5
3S56.9Low42.7Very low131 Ų131151.7 Ų151.792%0.91682%0.816SS**  trans-157.6112.6143-88.70000108.4
4V42.2Very low42.5Very low127 Ų127152.9 Ų152.977%0.7782%0.815SS**  trans-126140.2-175.31610000106
5S44.4Very low42.4Very low99 Ų99155.5 Ų155.569%0.69282%0.819SS**  trans72.4145.8158-71.60000116.7
6Q45.2Very low42.1Very low171 Ų171150.4 Ų150.480%0.79982%0.815SS**  cis-166.7136.623.7-128.2166.5-1.500105.9
7S40.9Very low42Very low80 Ų80150.8 Ų150.856%0.55982%0.817SS**  78.1102.199.2-174.60000112.8
8E40.2Very low42.4Very low173 Ų173148.6 Ų148.681%0.80881%0.812SS**  76.6104.3105.4-70.9167.597.800114.4
9S38.4Very low43Very low117 Ų117150 Ų15082%0.81881%0.809SS**  trans-162.592.3131.6-1090000111.3R11S9-R11 PolarHBondContact O-N 3.06Å
10H37.3Very low43.5Very low168 Ų168149 Ų14978%0.77881%0.811SS**  trans-65.5103.6153.3177.6-67.4000108.6
11R46.3Very low43.7Very low218 Ų218148.6 Ų148.682%0.82381%0.807SS**  trans-146119.7157-75.6-160.3179.4165.51.7111.4S9 F13S9-R11 PolarHBondContact O-N 3.06Å; R11-F13 PolarHBondContact O-N 2.71Å
12D35.8Very low44.1Very low132 Ų132138.9 Ų138.971%0.70677%0.772SS**  trans-34.5118.3165.4-55.2-88.8000113.7
13F44.8Very low44.8Very low207 Ų207143.4 Ų143.491%0.90878%0.779SS**  trans-114.379.5162.3-117.3-91.9000107.6R11R11-F13 PolarHBondContact O-N 2.71Å
14Q39.5Very low44.6Very low169 Ų169146.1 Ų146.179%0.7978%0.775SS**  trans-74.7146160.2-81.8-165.859.300109.2
15H40.7Very low44.7Very low192 Ų192142.7 Ų142.789%0.88977%0.765SS**SBendtrans85.988.4167.4-108.960.9000118
16G37.9Very low44.8Very low73 Ų73141 Ų14175%0.75376%0.757SS**  trans101.769.1147.200000115.3
17D40.4Very low45.1Very low158 Ų158138.4 Ų138.485%0.84576%0.755SS**  trans-44122.3-176.3-73.6-52.7000114.2K19D17-K19 PolarHBondContact O-N 3.06Å
18P49.5Very low45.6Very low111 Ų111138.5 Ų138.572%0.72176%0.761SS**  trans-71.6121.8175.128.8-30.7000109.1
19K54.3Low46.2Very low175 Ų175134.1 Ų134.176%0.76175%0.749SS**  trans-47.6132.8172.7-77.8167.2179.7159.40109.7D17 L21D17-K19 PolarHBondContact O-N 3.06Å; K19-L21 PolarHBondContact O-N 3.03Å
20P52.3Low47Very low130 Ų130135.4 Ų135.484%0.84474%0.741SS**  trans-58.6115.8-179.523-32.2000109.8G22P20-G22 PolarHBondContact O-N 2.84Å
21L47.3Very low48.3Very low140 Ų140131.6 Ų131.673%0.73373%0.733SS**  trans-64.1128.4175.9-71.4122.5000109K19K19-L21 PolarHBondContact O-N 3.03Å
22G51.8Low49.5Very low50 Ų50124.8 Ų124.852%0.51572%0.715SS.*  trans-62.5160.9171.500000111.4P20 F24 G25P20-G22 PolarHBondContact O-N 2.84Å; G22-F24 PolarHBondContact O-N 3.43Å; G22-G25 PolarHBondContact O-N 3.27Å
23M55.2Low51.3Low191 Ų191120.8 Ų120.894%0.94170%0.698SS**THydrogen-bonded Turntrans-55.8-7.7-175.6-145.8170.680.800115.2
24F52.5Low52.9Low188 Ų188113.9 Ų113.983%0.82567%0.669SS**THydrogen-bonded Turntrans-111.74.4179.6-86.7-82.8000115.2G22 A26G22-F24 PolarHBondContact O-N 3.43Å; F24-A26 PolarHBondContact O-N 3.45Å
25G44.2Very low55.1Low55 Ų55109.5 Ų109.557%0.56765%0.654SS**  trans61.46.6176.600000115.4G22G22-G25 PolarHBondContact O-N 3.27Å
26A46.9Very low57.1Low63 Ų63105.7 Ų105.752%0.52164%0.64SS.*  trans-87.8143.3177.500000110.3F24 A28F24-A26 PolarHBondContact O-N 3.45Å; A26-A28 PolarHBondContact O-N 3.41Å
27P50.2Low59.2Low116 Ų116102.7 Ų102.775%0.75361%0.608SS**  trans-54.8134.2173.623.9-32.7000108.9C29P27-C29 VanDerWaalsContact C-N 3.33Å; P27-C29 PolarHBondContact O-N 3.47Å
28A51.8Low61.3Low83 Ų8399.4 Ų99.469%0.68659%0.59SS**  trans-54.897.6178.100000109.2A26 H30A26-A28 PolarHBondContact O-N 3.41Å; A28-H30 PolarHBondContact O-N 3.07Å
29C52.6Low63.2Low81 Ų8197.5 Ų97.555%0.54758%0.578SS.*  trans-59.7111170.5-83.40000105.7P27 C31 T32P27-C29 VanDerWaalsContact C-N 3.33Å; P27-C29 PolarHBondContact O-N 3.47Å; C29-C31 PolarHBondContact O-N 3.27Å; C29-T32 HydrophobicContact CB-CG2 3.84Å; C29-T32 WeakPolarHBondContact O-CB 3.19Å; C29-T32 WeakPolarHBondContact O-CG2 3.44Å; C29-T32 PolarHBondContact O-N 3.33Å; C29-T32 PolarHBondContact O-OG1 3.3Å
30H56.8Low64.7Low144 Ų14491.8 Ų91.867%0.66756%0.558SS**THydrogen-bonded Turntrans-55.3-16.1-176.8-81.8-74.4000114.1A28A28-H30 PolarHBondContact O-N 3.07Å
31C63Low66.4Low88 Ų8887.1 Ų87.160%0.59553%0.529SS*.Hα-helixtrans-74.2-24173.9-50.40000113.5C29 S33 I34 V35C29-C31 PolarHBondContact O-N 3.27Å; C31-S33 PolarHBondContact O-N 3.11Å; C31-I34 PolarHBondContact O-N 3.44Å; C31-V35 WeakPolarHBondContact O-CB 3.36Å; C31-V35 WeakPolarHBondContact O-CG2 3.39Å; C31-V35 PolarHBondContact O-N 3.43Å
32T71.6Confident68.4Low74 Ų7485.3 Ų85.345%0.45452%0.519SS..Hα-helixtrans-63.9-42.8-172.256.90000112.1C29 I34 V35 L36C29-T32 HydrophobicContact CB-CG2 3.84Å; C29-T32 WeakPolarHBondContact O-CB 3.19Å; C29-T32 WeakPolarHBondContact O-CG2 3.44Å; C29-T32 PolarHBondContact O-N 3.33Å; C29-T32 PolarHBondContact O-OG1 3.3Å; T32-I34 VanDerWaalsContact C-N 3.34Å; T32-I34 PolarHBondContact O-N 3.08Å; T32-V35 PolarHBondContact O-N 3.48Å; T32-L36 VanDerWaalsContact O-CB 3.27Å; T32-L36 WeakPolarHBondContact O-CB 3.42Å; T32-L36 WeakPolarHBondContact O-CG 3.44Å; T32-L36 PolarHBondContact O-N 3.13Å
33S73.9Confident70.2Confident48 Ų4885.6 Ų85.634%0.33651%0.513SS..Hα-helixtrans-59.7-44.6179176.70000112C31 L36 A37 D89C31-S33 PolarHBondContact O-N 3.11Å; S33-L36 PolarHBondContact O-N 3.13Å; S33-A37 WeakPolarHBondContact O-CB 3.29Å; S33-A37 PolarHBondContact O-N 3.46Å; S33-D89 WeakPolarHBondContact CB-OD2 3.28Å; S33-D89 PolarHBondContact OG-OD2 3.24Å
34I78.8Confident71.8Confident62 Ų6276.5 Ų76.532%0.31847%0.469SS..Hα-helixtrans-67.4-46.1178.2-67.1169.4000110.7C31 T32 L36 A37 L38 F86C31-I34 PolarHBondContact O-N 3.44Å; T32-I34 VanDerWaalsContact C-N 3.34Å; T32-I34 PolarHBondContact O-N 3.08Å; I34-L36 VanDerWaalsContact C-N 3.32Å; I34-L36 PolarHBondContact O-N 3.31Å; I34-A37 PolarHBondContact O-N 3.12Å; I34-L38 HydrophobicContact CG2-CD1 3.95Å; I34-L38 HydrophobicContact CG2-CG 4.38Å; I34-L38 WeakPolarHBondContact O-CB 3.5Å; I34-L38 WeakPolarHBondContact O-CG 3.48Å; I34-L38 PolarHBondContact O-N 3.14Å; I34-F86 HydrophobicContact CB-CE2 4.25Å; I34-F86 HydrophobicContact CG1-CD2 4.3Å; I34-F86 HydrophobicContact CG1-CE2 3.91Å; I34-F86 HydrophobicContact CG2-CD2 4.34Å; I34-F86 HydrophobicContact CG2-CE2 3.73Å
35V84.9Confident73.6Confident78 Ų7872.4 Ų72.447%0.47346%0.455SS..Hα-helixtrans-61.9-42.5179.1172.90000110.5C31 T32 L38 C39C31-V35 WeakPolarHBondContact O-CB 3.36Å; C31-V35 WeakPolarHBondContact O-CG2 3.39Å; C31-V35 PolarHBondContact O-N 3.43Å; T32-V35 PolarHBondContact O-N 3.48Å; V35-L38 PolarHBondContact O-N 3.1Å; V35-C39 WeakPolarHBondContact O-CB 3.5Å; V35-C39 PolarHBondContact O-N 3.33Å; V35-C39 PolarHBondContact O-SG 3.49Å
36L83.1Confident75.9Confident111 Ų11175.9 Ų75.958%0.58146%0.458SS*.Hα-helixtrans-63.7-45176.4-72.2172.6000111.4T32 S33 I34 L38 C39 V40T32-L36 VanDerWaalsContact O-CB 3.27Å; T32-L36 WeakPolarHBondContact O-CB 3.42Å; T32-L36 WeakPolarHBondContact O-CG 3.44Å; T32-L36 PolarHBondContact O-N 3.13Å; S33-L36 PolarHBondContact O-N 3.13Å; I34-L36 VanDerWaalsContact C-N 3.32Å; I34-L36 PolarHBondContact O-N 3.31Å; L36-L38 VanDerWaalsContact C-N 3.32Å; L36-L38 PolarHBondContact O-N 3.32Å; L36-C39 PolarHBondContact O-N 2.96Å; L36-V40 WeakPolarHBondContact O-CB 3.2Å; L36-V40 VanDerWaalsContact O-CG2 3.25Å; L36-V40 WeakPolarHBondContact O-CG2 3.15Å; L36-V40 PolarHBondContact O-N 3.29Å
37A82.7Confident78Confident11 Ų1175.7 Ų75.79%0.09145%0.448CS..Hα-helixtrans-61.3-41.5176.400000111.9S33 I34 V40 S41 F86S33-A37 WeakPolarHBondContact O-CB 3.29Å; S33-A37 PolarHBondContact O-N 3.46Å; I34-A37 PolarHBondContact O-N 3.12Å; A37-V40 PolarHBondContact O-N 3.3Å; A37-S41 WeakPolarHBondContact O-CB 3.08Å; A37-S41 PolarHBondContact O-N 3.41Å; A37-S41 PolarHBondContact O-OG 3.01Å; A37-F86 HydrophobicContact CB-CB 3.95Å; A37-F86 HydrophobicContact CB-CD2 4.26Å
38L85.2Confident79.9Confident89 Ų8970.9 Ų70.947%0.46642%0.418SS..Hα-helixtrans-64.6-47.4174.9-72.9174.2000111.6I34 V35 L36 V40 S41 L42I34-L38 HydrophobicContact CG2-CD1 3.95Å; I34-L38 HydrophobicContact CG2-CG 4.38Å; I34-L38 WeakPolarHBondContact O-CB 3.5Å; I34-L38 WeakPolarHBondContact O-CG 3.48Å; I34-L38 PolarHBondContact O-N 3.14Å; V35-L38 PolarHBondContact O-N 3.1Å; L36-L38 VanDerWaalsContact C-N 3.32Å; L36-L38 PolarHBondContact O-N 3.32Å; L38-V40 VanDerWaalsContact C-N 3.31Å; L38-V40 PolarHBondContact O-N 3.43Å; L38-S41 WeakPolarHBondContact CA-OG 3.49Å; L38-S41 PolarHBondContact O-N 3.13Å; L38-S41 VanDerWaalsContact O-N 3.16Å; L38-S41 PolarHBondContact O-OG 2.62Å; L38-L42 WeakPolarHBondContact O-CB 3.28Å; L38-L42 WeakPolarHBondContact O-CG 3.4Å; L38-L42 PolarHBondContact O-N 3.4Å
39C87.8Confident81.7Confident70 Ų7068.6 Ų68.647%0.47340%0.402SS..Hα-helixtrans-58.3-42.8176.8-73.10000112V35 L36 L42 S43V35-C39 WeakPolarHBondContact O-CB 3.5Å; V35-C39 PolarHBondContact O-N 3.33Å; V35-C39 PolarHBondContact O-SG 3.49Å; L36-C39 PolarHBondContact O-N 2.96Å; C39-L42 PolarHBondContact O-N 2.88Å; C39-S43 WeakPolarHBondContact O-CB 3.03Å; C39-S43 PolarHBondContact O-N 3.3Å; C39-S43 PolarHBondContact O-OG 3.13Å
40V87.1Confident83.4Confident56 Ų5668.4 Ų68.434%0.33940%0.399SS..Hα-helixtrans-67.2-39.2176.5173.10000111.4L36 A37 L38 S43 G44 M78L36-V40 WeakPolarHBondContact O-CB 3.2Å; L36-V40 VanDerWaalsContact O-CG2 3.25Å; L36-V40 WeakPolarHBondContact O-CG2 3.15Å; L36-V40 PolarHBondContact O-N 3.29Å; A37-V40 PolarHBondContact O-N 3.3Å; L38-V40 VanDerWaalsContact C-N 3.31Å; L38-V40 PolarHBondContact O-N 3.43Å; V40-S43 WeakPolarHBondContact CA-OG 3.43Å; V40-S43 PolarHBondContact O-OG 3.04Å; V40-G44 PolarHBondContact O-N 3.1Å; V40-M78 HydrophobicContact CG1-CE 4.32Å
41S86.5Confident84.9Confident32 Ų3261.6 Ų61.622%0.22437%0.367CS..Hα-helixtrans-67-40176.572.40000112.4A37 L38 G44 L45A37-S41 WeakPolarHBondContact O-CB 3.08Å; A37-S41 PolarHBondContact O-N 3.41Å; A37-S41 PolarHBondContact O-OG 3.01Å; L38-S41 WeakPolarHBondContact CA-OG 3.49Å; L38-S41 PolarHBondContact O-N 3.13Å; L38-S41 VanDerWaalsContact O-N 3.16Å; L38-S41 PolarHBondContact O-OG 2.62Å; S41-G44 PolarHBondContact O-N 3.37Å; S41-L45 PolarHBondContact O-N 3.02Å
42L89.6Confident86Confident101 Ų10159.7 Ų59.753%0.52936%0.358SS..Hα-helixtrans-68.8-40.7177.6-72.1172.7000111.5L38 C39 L45 M46L38-L42 WeakPolarHBondContact O-CB 3.28Å; L38-L42 WeakPolarHBondContact O-CG 3.4Å; L38-L42 PolarHBondContact O-N 3.4Å; C39-L42 PolarHBondContact O-N 2.88Å; L42-L45 PolarHBondContact O-N 2.87Å; L42-M46 WeakPolarHBondContact O-CG 3.44Å; L42-M46 PolarHBondContact O-N 3.21Å
43S90Very high86.9Confident57 Ų5759.8 Ų59.840%0.39936%0.36SS..Hα-helixtrans-65.5-40.1174.766.30000111.5C39 V40 L45 M46 L47C39-S43 WeakPolarHBondContact O-CB 3.03Å; C39-S43 PolarHBondContact O-N 3.3Å; C39-S43 PolarHBondContact O-OG 3.13Å; V40-S43 WeakPolarHBondContact CA-OG 3.43Å; V40-S43 PolarHBondContact O-OG 3.04Å; S43-L45 PolarHBondContact O-N 3.13Å; S43-M46 PolarHBondContact O-N 2.87Å; S43-L47 WeakPolarHBondContact O-CB 3.19Å; S43-L47 PolarHBondContact O-N 2.79Å
44G89.3Confident87.4Confident0 Ų059.6 Ų59.60%036%0.355CS..Hα-helixtrans-60.9-40.1172.200000113V40 S41 L47 A48 G75V40-G44 PolarHBondContact O-N 3.1Å; S41-G44 PolarHBondContact O-N 3.37Å; G44-L47 PolarHBondContact O-N 3.46Å; G44-A48 WeakPolarHBondContact O-CB 3.26Å; G44-A48 PolarHBondContact O-N 2.91Å; G44-G75 WeakPolarHBondContact O-CA 3.3Å
45L90Very high87.7Confident101 Ų10158 Ų5853%0.52935%0.35SS..Hα-helixtrans-64.9-44.2175.9-167.195.4000111.8S41 L42 S43 L47 A48 G49 I79S41-L45 PolarHBondContact O-N 3.02Å; L42-L45 PolarHBondContact O-N 2.87Å; S43-L45 PolarHBondContact O-N 3.13Å; L45-L47 VanDerWaalsContact C-N 3.3Å; L45-L47 PolarHBondContact O-N 3.11Å; L45-A48 PolarHBondContact O-N 3.38Å; L45-G49 PolarHBondContact O-N 2.93Å; L45-I79 HydrophobicContact CB-CD1 4.4Å; L45-I79 HydrophobicContact CD1-CD1 4.43Å
46M92.4Very high87.6Confident129 Ų12956.7 Ų56.764%0.63535%0.352SS*.Hα-helixtrans-62.6-39.9176.1-69.4-65.9162.400111.3L42 S43 T50L42-M46 WeakPolarHBondContact O-CG 3.44Å; L42-M46 PolarHBondContact O-N 3.21Å; S43-M46 PolarHBondContact O-N 2.87Å; M46-T50 WeakPolarHBondContact O-CB 3.2Å; M46-T50 PolarHBondContact O-N 3.43Å; M46-T50 PolarHBondContact O-OG1 3.29Å
47L90Very high87.5Confident59 Ų5960.2 Ų60.231%0.30936%0.362SS..Hα-helixtrans-66.6-44.3176.5-154.781.3000111.6S43 G44 L45 T50 G51 L71 I74S43-L47 WeakPolarHBondContact O-CB 3.19Å; S43-L47 PolarHBondContact O-N 2.79Å; G44-L47 PolarHBondContact O-N 3.46Å; L45-L47 VanDerWaalsContact C-N 3.3Å; L45-L47 PolarHBondContact O-N 3.11Å; L47-T50 PolarHBondContact O-N 3.44Å; L47-G51 PolarHBondContact O-N 3.42Å; L47-L71 HydrophobicContact CD2-CD2 4.47Å; L47-L71 HydrophobicContact CG-CD2 4.41Å; L47-I74 HydrophobicContact CD2-CB 4.29Å; L47-I74 HydrophobicContact CD2-CG2 3.85Å
48A90Very high87.2Confident15 Ų1563.1 Ų63.112%0.12438%0.376CS..Hα-helixtrans-64.3-42.217700000111.9G44 L45 G51 A52G44-A48 WeakPolarHBondContact O-CB 3.26Å; G44-A48 PolarHBondContact O-N 2.91Å; L45-A48 PolarHBondContact O-N 3.38Å; A48-G51 PolarHBondContact O-N 3.5Å; A48-A52 WeakPolarHBondContact O-CB 3.49Å; A48-A52 PolarHBondContact O-N 2.77Å
49G90.6Very high86.7Confident35 Ų3568 Ų6836%0.36139%0.389SS..Hα-helixtrans-62.2-43.6174.300000111.8L45 G51 A52 C53L45-G49 PolarHBondContact O-N 2.93Å; G49-G51 PolarHBondContact O-N 3.44Å; G49-A52 PolarHBondContact O-N 3.3Å; G49-C53 WeakPolarHBondContact O-CB 3.44Å; G49-C53 PolarHBondContact O-N 2.79Å; G49-C53 PolarHBondContact O-SG 3.01Å
50T89.2Confident86.1Confident77 Ų7773.6 Ų73.647%0.47241%0.407SS..Hα-helixtrans-62.3-44.5175.3-54.40000111.2M46 L47 A52 C53 I54M46-T50 WeakPolarHBondContact O-CB 3.2Å; M46-T50 PolarHBondContact O-N 3.43Å; M46-T50 PolarHBondContact O-OG1 3.29Å; L47-T50 PolarHBondContact O-N 3.44Å; T50-A52 PolarHBondContact O-N 3.03Å; T50-C53 PolarHBondContact O-N 3.1Å; T50-I54 HydrophobicContact CG2-CD1 3.97Å; T50-I54 VanDerWaalsContact O-CG1 3.24Å; T50-I54 WeakPolarHBondContact O-CG1 3.41Å; T50-I54 PolarHBondContact O-N 2.93Å
51G87Confident85.5Confident0 Ų075.8 Ų75.80%042%0.417CS..Hα-helixtrans-59.4-43.8174.600000112.7L47 A48 G49 I54 C55L47-G51 PolarHBondContact O-N 3.42Å; A48-G51 PolarHBondContact O-N 3.5Å; G49-G51 PolarHBondContact O-N 3.44Å; G51-I54 PolarHBondContact O-N 3.32Å; G51-C55 PolarHBondContact O-N 3.42Å; G51-C55 PolarHBondContact O-SG 2.82Å; G51-C55 VanDerWaalsContact O-SG 3.34Å
52A87.5Confident84.6Confident49 Ų4981 Ų8141%0.40544%0.44SS..Hα-helixtrans-64.7-41.7176.400000112.3A48 G49 T50 C55 G56A48-A52 WeakPolarHBondContact O-CB 3.49Å; A48-A52 PolarHBondContact O-N 2.77Å; G49-A52 PolarHBondContact O-N 3.3Å; T50-A52 PolarHBondContact O-N 3.03Å; A52-C55 PolarHBondContact O-N 2.87Å; A52-G56 PolarHBondContact O-N 2.95Å
53C88.6Confident83.9Confident75 Ų7581.3 Ų81.351%0.50745%0.446SS..Hα-helixtrans-60.8-45.5174.5-70.60000111.4G49 T50 C55 G56 F57G49-C53 WeakPolarHBondContact O-CB 3.44Å; G49-C53 PolarHBondContact O-N 2.79Å; G49-C53 PolarHBondContact O-SG 3.01Å; T50-C53 PolarHBondContact O-N 3.1Å; C53-C55 PolarHBondContact O-N 3.27Å; C53-G56 PolarHBondContact O-N 2.92Å; C53-F57 WeakPolarHBondContact O-CD2 3.36Å; C53-F57 PolarHBondContact O-N 3.33Å
54I85.3Confident83.4Confident45 Ų4579.4 Ų79.423%0.23143%0.432CS..Hα-helixtrans-61.2-44.3177-67.5165.8000110.5T50 G51 G56 L58 L71T50-I54 HydrophobicContact CG2-CD1 3.97Å; T50-I54 VanDerWaalsContact O-CG1 3.24Å; T50-I54 WeakPolarHBondContact O-CG1 3.41Å; T50-I54 PolarHBondContact O-N 2.93Å; G51-I54 PolarHBondContact O-N 3.32Å; I54-G56 VanDerWaalsContact C-N 3.32Å; I54-G56 PolarHBondContact O-N 2.74Å; I54-L58 HydrophobicContact CG2-CD1 3.95Å; I54-L58 WeakPolarHBondContact O-CD1 3.37Å; I54-L58 PolarHBondContact O-N 3.32Å; I54-L71 HydrophobicContact CD1-CD1 3.86Å
55C84.7Confident82.9Confident29 Ų2982 Ų8220%0.19644%0.444CS..Hα-helixtrans-61.2-37.9175.7-73.90000113.2G51 A52 C53 G68G51-C55 PolarHBondContact O-N 3.42Å; G51-C55 PolarHBondContact O-SG 2.82Å; G51-C55 VanDerWaalsContact O-SG 3.34Å; A52-C55 PolarHBondContact O-N 2.87Å; C53-C55 PolarHBondContact O-N 3.27Å; C55-G68 WeakPolarHBondContact SG-CA 3.48Å
56G83.6Confident82.6Confident50 Ų5083.3 Ų83.352%0.51545%0.45SS..Hα-helixtrans-74.2-45-179.500000113.3A52 C53 I54A52-G56 PolarHBondContact O-N 2.95Å; C53-G56 PolarHBondContact O-N 2.92Å; I54-G56 VanDerWaalsContact C-N 3.32Å; I54-G56 PolarHBondContact O-N 2.74Å
57F80.9Confident82.3Confident184 Ų18482.2 Ų82.281%0.80745%0.446SS*.Hα-helixtrans-71.7-37.2-179.3-87.1-78.3000112.8C53 W59C53-F57 WeakPolarHBondContact O-CD2 3.36Å; C53-F57 PolarHBondContact O-N 3.33Å; F57-W59 VanDerWaalsContact C-N 3.32Å; F57-W59 PolarHBondContact O-N 3.03Å
58L76.9Confident82.1Confident73 Ų7379.4 Ų79.438%0.38243%0.431SS..THydrogen-bonded Turntrans-97.740.3-177.9-62.994.6000112.8I54 H60 D61 P64I54-L58 HydrophobicContact CG2-CD1 3.95Å; I54-L58 WeakPolarHBondContact O-CD1 3.37Å; I54-L58 PolarHBondContact O-N 3.32Å; L58-H60 PolarHBondContact O-N 2.78Å; L58-D61 PolarHBondContact O-N 2.96Å; L58-P64 HydrophobicContact CB-CB 3.77Å; L58-P64 HydrophobicContact CB-CG 3.31Å; L58-P64 HydrophobicContact CD1-CB 4.47Å; L58-P64 HydrophobicContact CD2-CB 3.53Å; L58-P64 HydrophobicContact CD2-CG 3.46Å; L58-P64 VanDerWaalsContact CD2-CG 3.46Å; L58-P64 HydrophobicContact CG-CB 4.11Å; L58-P64 HydrophobicContact CG-CG 3.96Å
59W73.5Confident82Confident191 Ų19183.9 Ų83.972%0.72345%0.452SS*.THydrogen-bonded Turntrans-58.5-29.7178.1-170-91.3000113.3F57 K65F57-W59 VanDerWaalsContact C-N 3.32Å; F57-W59 PolarHBondContact O-N 3.03Å; W59-K65 WeakPolarHBondContact O-CE 3.45Å; W59-K65 PolarHBondContact O-NZ 3.19Å
60H75.8Confident81.9Confident187 Ų18784.5 Ų84.587%0.86646%0.455SS*.THydrogen-bonded Turntrans-77.2-24.6-175.3-105.4-82.4000114.7L58L58-H60 PolarHBondContact O-N 2.78Å
61D75Confident81.9Confident102 Ų10282.9 Ų82.955%0.54544%0.443SS..  trans-110.8138-175.3-112.2-47.4000111.2L58 P64 K65L58-D61 PolarHBondContact O-N 2.96Å; D61-P64 HydrophobicContact CB-CG 3.89Å; D61-P64 WeakPolarHBondContact O-CD 3.29Å; D61-K65 WeakPolarHBondContact O-CE 3.26Å
62M67.7Low82Confident141 Ų14186.6 Ų86.670%0.69546%0.461SS*.SBendtrans-79.5-30.1-175.6-70.6-65.3-167.500113.3K65M62-K65 HydrophobicContact SD-CD 4.11Å
63T74.3Confident82.2Confident109 Ų10986.2 Ų86.267%0.66946%0.462SS*.Hα-helixtrans-64.2-44.6-178.340.80000115K65T63-K65 VanDerWaalsContact C-N 3.31Å; T63-K65 PolarHBondContact O-N 2.86Å
64P78.6Confident82.3Confident17 Ų1786.7 Ų86.711%0.1146%0.458CS..Hα-helixtrans-75.5-16.7-179.530-37.2000113.7L58 D61 I66 L67 G68L58-P64 HydrophobicContact CB-CB 3.77Å; L58-P64 HydrophobicContact CB-CG 3.31Å; L58-P64 HydrophobicContact CD1-CB 4.47Å; L58-P64 HydrophobicContact CD2-CB 3.53Å; L58-P64 HydrophobicContact CD2-CG 3.46Å; L58-P64 VanDerWaalsContact CD2-CG 3.46Å; L58-P64 HydrophobicContact CG-CB 4.11Å; L58-P64 HydrophobicContact CG-CG 3.96Å; D61-P64 HydrophobicContact CB-CG 3.89Å; D61-P64 WeakPolarHBondContact O-CD 3.29Å; P64-I66 VanDerWaalsContact C-N 3.31Å; P64-I66 PolarHBondContact O-N 3.3Å; P64-L67 PolarHBondContact O-N 3.31Å; P64-G68 PolarHBondContact O-N 3.28Å
65K79.1Confident82.6Confident54 Ų5484.5 Ų84.524%0.23545%0.447CS..Hα-helixtrans-61.5-42.3176.3-68.3178.1-177.61720111.4W59 D61 M62 T63 L67 G68 L69W59-K65 WeakPolarHBondContact O-CE 3.45Å; W59-K65 PolarHBondContact O-NZ 3.19Å; D61-K65 WeakPolarHBondContact O-CE 3.26Å; M62-K65 HydrophobicContact SD-CD 4.11Å; T63-K65 VanDerWaalsContact C-N 3.31Å; T63-K65 PolarHBondContact O-N 2.86Å; K65-L67 VanDerWaalsContact C-N 3.33Å; K65-G68 PolarHBondContact O-N 3.17Å; K65-L69 WeakPolarHBondContact O-CB 3.42Å; K65-L69 VanDerWaalsContact O-CG 3.26Å; K65-L69 WeakPolarHBondContact O-CG 3.33Å; K65-L69 PolarHBondContact O-N 2.96Å
66I84.1Confident82.9Confident128 Ų12887 Ų8766%0.65646%0.458SS*.Hα-helixtrans-65.1-42.8179.1-60.7161000109.8P64 L69 A70P64-I66 VanDerWaalsContact C-N 3.31Å; P64-I66 PolarHBondContact O-N 3.3Å; I66-L69 PolarHBondContact O-N 3.42Å; I66-A70 VanDerWaalsContact O-CB 3.3Å; I66-A70 WeakPolarHBondContact O-CB 3.38Å; I66-A70 PolarHBondContact O-N 3.5Å
67L85.7Confident83.2Confident106 Ų10687.3 Ų87.356%0.55545%0.453SS*.Hα-helixtrans-64.4-45.7178.7-17466.5000111.6P64 K65 A70 L71P64-L67 PolarHBondContact O-N 3.31Å; K65-L67 VanDerWaalsContact C-N 3.33Å; L67-A70 PolarHBondContact O-N 2.75Å; L67-L71 HydrophobicContact CG-CD1 4.47Å; L67-L71 WeakPolarHBondContact O-CG 3.34Å; L67-L71 PolarHBondContact O-N 3.45Å
68G87Confident83.6Confident0 Ų081.8 Ų81.80%043%0.43CS..Hα-helixtrans-65.3-40.8177.800000112.6C55 P64 K65 L71 M72C55-G68 WeakPolarHBondContact SG-CA 3.48Å; P64-G68 PolarHBondContact O-N 3.28Å; K65-G68 PolarHBondContact O-N 3.17Å; G68-L71 PolarHBondContact O-N 3.17Å; G68-M72 WeakPolarHBondContact O-CB 3.46Å; G68-M72 PolarHBondContact O-N 3.1Å
69L86.5Confident84.2Confident109 Ų10980.4 Ų80.457%0.57142%0.422SS*.Hα-helixtrans-64.6-39.8173.6-74.1174.3000112.2K65 I66 M72 G73K65-L69 WeakPolarHBondContact O-CB 3.42Å; K65-L69 VanDerWaalsContact O-CG 3.26Å; K65-L69 WeakPolarHBondContact O-CG 3.33Å; K65-L69 PolarHBondContact O-N 2.96Å; I66-L69 PolarHBondContact O-N 3.42Å; L69-M72 PolarHBondContact O-N 3.46Å; L69-G73 PolarHBondContact O-N 3.47Å
70A89.9Confident85.1Confident49 Ų4976.7 Ų76.741%0.40542%0.416SS..Hα-helixtrans-62.8-45.7175.200000111.2I66 L67 M72 G73 I74I66-A70 VanDerWaalsContact O-CB 3.3Å; I66-A70 WeakPolarHBondContact O-CB 3.38Å; I66-A70 PolarHBondContact O-N 3.5Å; L67-A70 PolarHBondContact O-N 2.75Å; A70-M72 VanDerWaalsContact C-N 3.35Å; A70-M72 PolarHBondContact O-N 3.06Å; A70-G73 PolarHBondContact O-N 2.94Å; A70-I74 WeakPolarHBondContact O-CD1 3.49Å; A70-I74 VanDerWaalsContact O-CG1 3.24Å; A70-I74 WeakPolarHBondContact O-CG1 3.21Å; A70-I74 PolarHBondContact O-N 3.28Å
71L88.8Confident85.7Confident43 Ų4371.7 Ų71.723%0.22540%0.399CS..Hα-helixtrans-63.4-40.1176.1-72.7173.9000112.3L47 I54 L67 G68 I74 G75L47-L71 HydrophobicContact CD2-CD2 4.47Å; L47-L71 HydrophobicContact CG-CD2 4.41Å; I54-L71 HydrophobicContact CD1-CD1 3.86Å; L67-L71 HydrophobicContact CG-CD1 4.47Å; L67-L71 WeakPolarHBondContact O-CG 3.34Å; L67-L71 PolarHBondContact O-N 3.45Å; G68-L71 PolarHBondContact O-N 3.17Å; L71-I74 PolarHBondContact O-N 3.45Å; L71-G75 PolarHBondContact O-N 3.41Å
72M89.3Confident86.2Confident77 Ų7767.1 Ų67.138%0.37938%0.376SS..Hα-helixtrans-63.6-44.3174.9-173-18017600111.3G68 L69 A70 G75 L76G68-M72 WeakPolarHBondContact O-CB 3.46Å; G68-M72 PolarHBondContact O-N 3.1Å; L69-M72 PolarHBondContact O-N 3.46Å; A70-M72 VanDerWaalsContact C-N 3.35Å; A70-M72 PolarHBondContact O-N 3.06Å; M72-G75 PolarHBondContact O-N 3.32Å; M72-L76 HydrophobicContact CE-CD1 4.3Å; M72-L76 HydrophobicContact CG-CD1 4.29Å; M72-L76 WeakPolarHBondContact O-CB 3.37Å; M72-L76 WeakPolarHBondContact O-CG 3.15Å; M72-L76 PolarHBondContact O-N 2.77Å
73G91.2Very high87.1Confident41 Ų4165.9 Ų65.942%0.42337%0.367SS..Hα-helixtrans-62.4-42.9176.700000112.9L69 A70 S77L69-G73 PolarHBondContact O-N 3.47Å; A70-G73 PolarHBondContact O-N 2.94Å; G73-S77 WeakPolarHBondContact O-CB 3.41Å; G73-S77 PolarHBondContact O-N 3.2Å; G73-S77 PolarHBondContact O-OG 3.31Å
74I91.4Very high87.7Confident85 Ų8565 Ų6544%0.43636%0.362SS..Hα-helixtrans-66.5-43.4175.6-64.9163.3000110.7L47 A70 L71 L76 S77 M78L47-I74 HydrophobicContact CD2-CB 4.29Å; L47-I74 HydrophobicContact CD2-CG2 3.85Å; A70-I74 WeakPolarHBondContact O-CD1 3.49Å; A70-I74 VanDerWaalsContact O-CG1 3.24Å; A70-I74 WeakPolarHBondContact O-CG1 3.21Å; A70-I74 PolarHBondContact O-N 3.28Å; L71-I74 PolarHBondContact O-N 3.45Å; I74-L76 VanDerWaalsContact C-N 3.35Å; I74-L76 PolarHBondContact O-N 2.72Å; I74-S77 PolarHBondContact O-N 2.79Å; I74-S77 PolarHBondContact O-OG 2.88Å; I74-M78 HydrophobicContact CG2-CG 4.46Å; I74-M78 HydrophobicContact CG2-SD 4.3Å; I74-M78 WeakPolarHBondContact O-CB 3.26Å; I74-M78 VanDerWaalsContact O-CG 3.31Å; I74-M78 WeakPolarHBondContact O-CG 3.5Å; I74-M78 PolarHBondContact O-N 3.4Å
75G89.8Confident87.9Confident0 Ų070 Ų700%039%0.385CS..Hα-helixtrans-60.1-44.7177.100000112.1G44 L71 M72 M78 I79G44-G75 WeakPolarHBondContact O-CA 3.3Å; L71-G75 PolarHBondContact O-N 3.41Å; M72-G75 PolarHBondContact O-N 3.32Å; G75-M78 PolarHBondContact O-N 2.95Å; G75-I79 WeakPolarHBondContact O-CD1 3.3Å; G75-I79 VanDerWaalsContact O-CG1 3.24Å; G75-I79 WeakPolarHBondContact O-CG1 3.35Å; G75-I79 PolarHBondContact O-N 3.48Å
76L91.2Very high88.2Confident81 Ų8171.1 Ų71.142%0.42439%0.39SS..Hα-helixtrans-66-41.2176.5-72.1174.7000112.7M72 I74 M78 I79 L80M72-L76 HydrophobicContact CE-CD1 4.3Å; M72-L76 HydrophobicContact CG-CD1 4.29Å; M72-L76 WeakPolarHBondContact O-CB 3.37Å; M72-L76 WeakPolarHBondContact O-CG 3.15Å; M72-L76 PolarHBondContact O-N 2.77Å; I74-L76 VanDerWaalsContact C-N 3.35Å; I74-L76 PolarHBondContact O-N 2.72Å; L76-M78 VanDerWaalsContact C-N 3.31Å; L76-M78 PolarHBondContact O-N 3.31Å; L76-I79 HydrophobicContact CD2-CD1 4.47Å; L76-I79 PolarHBondContact O-N 3.42Å; L76-L80 WeakPolarHBondContact O-CB 3.37Å; L76-L80 WeakPolarHBondContact O-CG 3.28Å; L76-L80 PolarHBondContact O-N 3.29Å
77S91.3Very high88.2Confident57 Ų5768.8 Ų68.840%0.39938%0.378SS..Hα-helixtrans-65.2-36.7177.272.60000111.6G73 I74 T81G73-S77 WeakPolarHBondContact O-CB 3.41Å; G73-S77 PolarHBondContact O-N 3.2Å; G73-S77 PolarHBondContact O-OG 3.31Å; I74-S77 PolarHBondContact O-N 2.79Å; I74-S77 PolarHBondContact O-OG 2.88Å; S77-T81 VanDerWaalsContact O-CB 3.31Å; S77-T81 WeakPolarHBondContact O-CB 3.27Å; S77-T81 PolarHBondContact O-N 3.47Å; S77-T81 PolarHBondContact O-OG1 3.44Å
78M89.4Confident88.1Confident68 Ų6870.7 Ų70.734%0.33538%0.379SS..Hα-helixtrans-65.5-43.7172.9-72.1-173.178.300112.1V40 I74 G75 L76 T81 G82V40-M78 HydrophobicContact CG1-CE 4.32Å; I74-M78 HydrophobicContact CG2-CG 4.46Å; I74-M78 HydrophobicContact CG2-SD 4.3Å; I74-M78 WeakPolarHBondContact O-CB 3.26Å; I74-M78 VanDerWaalsContact O-CG 3.31Å; I74-M78 WeakPolarHBondContact O-CG 3.5Å; I74-M78 PolarHBondContact O-N 3.4Å; G75-M78 PolarHBondContact O-N 2.95Å; L76-M78 VanDerWaalsContact C-N 3.31Å; L76-M78 PolarHBondContact O-N 3.31Å; M78-T81 PolarHBondContact O-N 2.89Å; M78-G82 PolarHBondContact O-N 2.77Å
79I89.6Confident87.8Confident43 Ų4372.4 Ų72.422%0.22139%0.388CS..Hα-helixtrans-61.3-48.3176-67.5162000110.5L45 G75 L76 T81 G82 F83L45-I79 HydrophobicContact CB-CD1 4.4Å; L45-I79 HydrophobicContact CD1-CD1 4.43Å; G75-I79 WeakPolarHBondContact O-CD1 3.3Å; G75-I79 VanDerWaalsContact O-CG1 3.24Å; G75-I79 WeakPolarHBondContact O-CG1 3.35Å; G75-I79 PolarHBondContact O-N 3.48Å; L76-I79 HydrophobicContact CD2-CD1 4.47Å; L76-I79 PolarHBondContact O-N 3.42Å; I79-T81 PolarHBondContact O-N 2.84Å; I79-G82 PolarHBondContact O-N 2.84Å; I79-F83 VanDerWaalsContact O-CB 3.28Å; I79-F83 WeakPolarHBondContact O-CB 3.44Å; I79-F83 PolarHBondContact O-N 3.43Å
80L90.6Very high87.2Confident113 Ų11368.8 Ų68.859%0.59238%0.377SS*.Hα-helixtrans-60.1-45.6178.2-77.5165.1000111.3L76 F83 V84L76-L80 WeakPolarHBondContact O-CB 3.37Å; L76-L80 WeakPolarHBondContact O-CG 3.28Å; L76-L80 PolarHBondContact O-N 3.29Å; L80-F83 PolarHBondContact O-N 2.85Å; L80-V84 WeakPolarHBondContact O-CB 3.48Å; L80-V84 VanDerWaalsContact O-CG2 3.24Å; L80-V84 WeakPolarHBondContact O-CG2 3.45Å; L80-V84 PolarHBondContact O-N 3.16Å
81T88.3Confident86.4Confident83 Ų8371.9 Ų71.951%0.50938%0.384SS..Hα-helixtrans-63.5-45.4178.6-55.80000111.3S77 M78 I79 F83 V84 M85S77-T81 VanDerWaalsContact O-CB 3.31Å; S77-T81 WeakPolarHBondContact O-CB 3.27Å; S77-T81 PolarHBondContact O-N 3.47Å; S77-T81 PolarHBondContact O-OG1 3.44Å; M78-T81 PolarHBondContact O-N 2.89Å; I79-T81 PolarHBondContact O-N 2.84Å; T81-F83 VanDerWaalsContact C-N 3.34Å; T81-F83 PolarHBondContact O-N 2.72Å; T81-V84 PolarHBondContact O-N 2.89Å; T81-M85 WeakPolarHBondContact O-CB 3.34Å; T81-M85 VanDerWaalsContact O-CG 3.29Å; T81-M85 WeakPolarHBondContact O-CG 3.33Å; T81-M85 PolarHBondContact O-N 2.98Å
82G85.7Confident85.3Confident6 Ų673.5 Ų73.56%0.06239%0.392CS..Hα-helixtrans-62.3-40.6176.100000112.5M78 I79 M85 F86M78-G82 PolarHBondContact O-N 2.77Å; I79-G82 PolarHBondContact O-N 2.84Å; G82-M85 PolarHBondContact O-N 3.47Å; G82-F86 WeakPolarHBondContact O-CB 3.25Å; G82-F86 PolarHBondContact O-N 3.31Å
83F86.5Confident84.1Confident115 Ų11572.7 Ų72.750%0.50439%0.386SS..Hα-helixtrans-69.4-41.9178.3-170-106.1000112.5I79 L80 T81 M85 F86 L87I79-F83 VanDerWaalsContact O-CB 3.28Å; I79-F83 WeakPolarHBondContact O-CB 3.44Å; I79-F83 PolarHBondContact O-N 3.43Å; L80-F83 PolarHBondContact O-N 2.85Å; T81-F83 VanDerWaalsContact C-N 3.34Å; T81-F83 PolarHBondContact O-N 2.72Å; F83-M85 VanDerWaalsContact C-N 3.34Å; F83-F86 WeakPolarHBondContact O-CB 3.46Å; F83-F86 PolarHBondContact O-N 3.38Å; F83-L87 HydrophobicContact CD1-CD1 3.76Å; F83-L87 HydrophobicContact CD1-CG 4.15Å; F83-L87 HydrophobicContact CE1-CD1 3.33Å; F83-L87 HydrophobicContact CE1-CD2 4.38Å; F83-L87 HydrophobicContact CE1-CG 3.86Å; F83-L87 HydrophobicContact CZ-CD1 3.95Å; F83-L87 HydrophobicContact CZ-CD2 4.17Å; F83-L87 HydrophobicContact CZ-CG 4.08Å; F83-L87 WeakPolarHBondContact O-CB 3.41Å; F83-L87 WeakPolarHBondContact O-CG 3.38Å; F83-L87 PolarHBondContact O-N 2.82Å
84V87.6Confident82.6Confident91 Ų9179.7 Ų79.755%0.55240%0.4SS*.Hα-helixtrans-62.5-43174.5170.60000110.5L80 T81 L87 Y88L80-V84 WeakPolarHBondContact O-CB 3.48Å; L80-V84 VanDerWaalsContact O-CG2 3.24Å; L80-V84 WeakPolarHBondContact O-CG2 3.45Å; L80-V84 PolarHBondContact O-N 3.16Å; T81-V84 PolarHBondContact O-N 2.89Å; V84-L87 PolarHBondContact O-N 3.38Å; V84-Y88 VanDerWaalsContact O-CB 3.22Å; V84-Y88 WeakPolarHBondContact O-CB 3.45Å; V84-Y88 PolarHBondContact O-N 3.34Å
85M83.1Confident81Confident121 Ų12183.1 Ų83.160%0.59641%0.408SS*.Hα-helixtrans-63.1-41.4174.7-73.1-67.2-177.100112T81 G82 F83 Y88 D89T81-M85 WeakPolarHBondContact O-CB 3.34Å; T81-M85 VanDerWaalsContact O-CG 3.29Å; T81-M85 WeakPolarHBondContact O-CG 3.33Å; T81-M85 PolarHBondContact O-N 2.98Å; G82-M85 PolarHBondContact O-N 3.47Å; F83-M85 VanDerWaalsContact C-N 3.34Å; M85-Y88 PolarHBondContact O-N 3.47Å; M85-D89 WeakPolarHBondContact O-CB 3.47Å; M85-D89 PolarHBondContact O-N 2.96Å
86F84.8Confident79.3Confident78 Ų7889.6 Ų89.634%0.34244%0.436SS..Hα-helixtrans-62.9-46.1176.1179.2-102.5000112.2I34 A37 G82 F83 G90I34-F86 HydrophobicContact CB-CE2 4.25Å; I34-F86 HydrophobicContact CG1-CD2 4.3Å; I34-F86 HydrophobicContact CG1-CE2 3.91Å; I34-F86 HydrophobicContact CG2-CD2 4.34Å; I34-F86 HydrophobicContact CG2-CE2 3.73Å; A37-F86 HydrophobicContact CB-CB 3.95Å; A37-F86 HydrophobicContact CB-CD2 4.26Å; G82-F86 WeakPolarHBondContact O-CB 3.25Å; G82-F86 PolarHBondContact O-N 3.31Å; F83-F86 WeakPolarHBondContact O-CB 3.46Å; F83-F86 PolarHBondContact O-N 3.38Å; F86-G90 PolarHBondContact O-N 2.9Å
87L84.6Confident77.5Confident79 Ų7990.9 Ų90.941%0.41444%0.442SS..Hα-helixtrans-64.9-41.5175.7-73.1-177000111.5F83 V84 G90 M91F83-L87 HydrophobicContact CD1-CD1 3.76Å; F83-L87 HydrophobicContact CD1-CG 4.15Å; F83-L87 HydrophobicContact CE1-CD1 3.33Å; F83-L87 HydrophobicContact CE1-CD2 4.38Å; F83-L87 HydrophobicContact CE1-CG 3.86Å; F83-L87 HydrophobicContact CZ-CD1 3.95Å; F83-L87 HydrophobicContact CZ-CD2 4.17Å; F83-L87 HydrophobicContact CZ-CG 4.08Å; F83-L87 WeakPolarHBondContact O-CB 3.41Å; F83-L87 WeakPolarHBondContact O-CG 3.38Å; F83-L87 PolarHBondContact O-N 2.82Å; V84-L87 PolarHBondContact O-N 3.38Å; L87-G90 PolarHBondContact O-N 2.85Å; L87-M91 VanDerWaalsContact O-CB 3.3Å; L87-M91 WeakPolarHBondContact O-CB 3.47Å; L87-M91 VanDerWaalsContact O-CG 3.26Å; L87-M91 WeakPolarHBondContact O-CG 3.49Å; L87-M91 PolarHBondContact O-N 3.43Å
88Y84Confident75.4Confident145 Ų14593.9 Ų93.957%0.56945%0.45SS*.Hα-helixtrans-62.8-45.8179.2-171.4-95000111.3V84 M85 M91 M92V84-Y88 VanDerWaalsContact O-CB 3.22Å; V84-Y88 WeakPolarHBondContact O-CB 3.45Å; V84-Y88 PolarHBondContact O-N 3.34Å; M85-Y88 PolarHBondContact O-N 3.47Å; Y88-M91 PolarHBondContact O-N 3.45Å; Y88-M92 HydrophobicContact CD1-CG 4.32Å; Y88-M92 HydrophobicContact CE1-CE 4.21Å; Y88-M92 HydrophobicContact CE1-CG 3.95Å; Y88-M92 VanDerWaalsContact O-CB 3.28Å; Y88-M92 WeakPolarHBondContact O-CB 3.4Å; Y88-M92 PolarHBondContact O-N 3.25Å; Y88-M92 WeakPolarHBondContact OH-CE 3.24Å
89D79.7Confident73.6Confident36 Ų3697.2 Ų97.219%0.19347%0.465CS..Hα-helixtrans-66.5-39.9175.2-17331.1000111.6S33 M85 M91 M92 K93S33-D89 WeakPolarHBondContact CB-OD2 3.28Å; S33-D89 PolarHBondContact OG-OD2 3.24Å; M85-D89 WeakPolarHBondContact O-CB 3.47Å; M85-D89 PolarHBondContact O-N 2.96Å; D89-M91 PolarHBondContact O-N 2.89Å; D89-M92 PolarHBondContact O-N 2.94Å; D89-K93 WeakPolarHBondContact O-CB 3.46Å; D89-K93 WeakPolarHBondContact O-CD 3.29Å; D89-K93 VanDerWaalsContact O-CG 3.26Å; D89-K93 WeakPolarHBondContact O-CG 3.34Å; D89-K93 PolarHBondContact O-N 2.82Å; D89-K93 WeakPolarHBondContact OD1-CE 3.44Å; D89-K93 IonicContact OD1-NZ 3.6Å; D89-K93 WeakPolarHBondContact OD2-CE 3.38Å; D89-K93 IonicContact OD2-NZ 2.77Å; D89-K93 PolarHBondContact OD2-NZ 2.91Å
90G74.7Confident71.6Confident33 Ų3398.7 Ų98.734%0.3448%0.479SS..Hα-helixtrans-61.7-42.2174.600000113.3F86 L87 R94F86-G90 PolarHBondContact O-N 2.9Å; L87-G90 PolarHBondContact O-N 2.85Å; G90-R94 WeakPolarHBondContact O-CG 3.43Å; G90-R94 PolarHBondContact O-N 2.72Å; G90-R94 VanDerWaalsContact O-N 3.17Å
91M72Confident69.5Low114 Ų11498.1 Ų98.156%0.56248%0.48SS*.Hα-helixtrans-74-38.8177.5-72.8-175.367.700112.2L87 Y88 D89 K93 R94 R95L87-M91 VanDerWaalsContact O-CB 3.3Å; L87-M91 WeakPolarHBondContact O-CB 3.47Å; L87-M91 VanDerWaalsContact O-CG 3.26Å; L87-M91 WeakPolarHBondContact O-CG 3.49Å; L87-M91 PolarHBondContact O-N 3.43Å; Y88-M91 PolarHBondContact O-N 3.45Å; D89-M91 PolarHBondContact O-N 2.89Å; M91-K93 VanDerWaalsContact C-N 3.27Å; M91-K93 PolarHBondContact O-N 3.39Å; M91-R94 WeakPolarHBondContact O-CB 3.22Å; M91-R94 PolarHBondContact O-N 3.35Å; M91-R94 VanDerWaalsContact O-N 3.17Å; M91-R95 PolarHBondContact O-N 3.35Å
92M66.9Low67.4Low78 Ų7898 Ų9838%0.38448%0.476SS..Hα-helixtrans-59-40.1171.8-96-84.8-178.900111.4Y88 D89 R95 K96Y88-M92 HydrophobicContact CD1-CG 4.32Å; Y88-M92 HydrophobicContact CE1-CE 4.21Å; Y88-M92 HydrophobicContact CE1-CG 3.95Å; Y88-M92 VanDerWaalsContact O-CB 3.28Å; Y88-M92 WeakPolarHBondContact O-CB 3.4Å; Y88-M92 PolarHBondContact O-N 3.25Å; Y88-M92 WeakPolarHBondContact OH-CE 3.24Å; D89-M92 PolarHBondContact O-N 2.94Å; M92-R95 PolarHBondContact O-N 3.46Å; M92-K96 PolarHBondContact O-N 2.92Å
93K63.7Low65.5Low59 Ų59101.1 Ų101.126%0.25750%0.496SS..Hα-helixtrans-64.5-39.2175-76.3165.1177.3162.80112.2D89 M91 K96 L97D89-K93 WeakPolarHBondContact O-CB 3.46Å; D89-K93 WeakPolarHBondContact O-CD 3.29Å; D89-K93 VanDerWaalsContact O-CG 3.26Å; D89-K93 WeakPolarHBondContact O-CG 3.34Å; D89-K93 PolarHBondContact O-N 2.82Å; D89-K93 WeakPolarHBondContact OD1-CE 3.44Å; D89-K93 IonicContact OD1-NZ 3.6Å; D89-K93 WeakPolarHBondContact OD2-CE 3.38Å; D89-K93 IonicContact OD2-NZ 2.77Å; D89-K93 PolarHBondContact OD2-NZ 2.91Å; M91-K93 VanDerWaalsContact C-N 3.27Å; M91-K93 PolarHBondContact O-N 3.39Å; K93-K96 PolarHBondContact O-N 3.48Å; K93-L97 PolarHBondContact O-N 3.41Å; K93-L97 VanDerWaalsContact O-N 3.1Å
94R59.3Low63.4Low189 Ų189103 Ų10371%0.71350%0.504SS*.Hα-helixtrans-65-40.5174.5-68.3-83-176-176.4-0.1111.6G90 M91 L97 Q98G90-R94 WeakPolarHBondContact O-CG 3.43Å; G90-R94 PolarHBondContact O-N 2.72Å; G90-R94 VanDerWaalsContact O-N 3.17Å; M91-R94 WeakPolarHBondContact O-CB 3.22Å; M91-R94 PolarHBondContact O-N 3.35Å; M91-R94 VanDerWaalsContact O-N 3.17Å; R94-L97 PolarHBondContact O-N 2.82Å; R94-Q98 WeakPolarHBondContact O-CB 3.45Å; R94-Q98 PolarHBondContact O-N 2.87Å
95R57.7Low61.4Low157 Ų157103 Ų10359%0.59250%0.504SS*.Hα-helixtrans-63.8-41.3176.5-71.2-172.9-176.2-165.61.2112.2M91 M92 L97 Q98 E99M91-R95 PolarHBondContact O-N 3.35Å; M92-R95 PolarHBondContact O-N 3.46Å; R95-L97 VanDerWaalsContact C-N 3.35Å; R95-L97 PolarHBondContact O-N 3.47Å; R95-Q98 CarbonylContact O-C 3.58Å; R95-Q98 PolarHBondContact O-N 3.47Å; R95-E99 WeakPolarHBondContact O-CB 3.46Å; R95-E99 WeakPolarHBondContact O-CG 3.33Å; R95-E99 PolarHBondContact O-N 3.47Å
96K55Low59.4Low136 Ų136103.9 Ų103.959%0.59151%0.511SS*.Hα-helixtrans-67.5-33.2175.6-68.8-171.9178.5-176.40113.5M92 K93 S100M92-K96 PolarHBondContact O-N 2.92Å; K93-K96 PolarHBondContact O-N 3.48Å; K96-S100 VanDerWaalsContact O-CB 3.3Å; K96-S100 WeakPolarHBondContact O-CB 3.39Å; K96-S100 PolarHBondContact O-N 2.86Å; K96-S100 PolarHBondContact O-OG 3.36Å
97L52.5Low57.4Low107 Ų107105.8 Ų105.856%0.5652%0.521SS*.Hα-helixtrans-69.5-39.2172.1-81156.4000111.2K93 R94 R95 S100 V101K93-L97 PolarHBondContact O-N 3.41Å; K93-L97 VanDerWaalsContact O-N 3.1Å; R94-L97 PolarHBondContact O-N 2.82Å; R95-L97 VanDerWaalsContact C-N 3.35Å; R95-L97 PolarHBondContact O-N 3.47Å; L97-S100 WeakPolarHBondContact CA-OG 3.24Å; L97-S100 PolarHBondContact O-N 2.84Å; L97-S100 PolarHBondContact O-OG 3.35Å; L97-V101 VanDerWaalsContact O-CG2 3.28Å; L97-V101 WeakPolarHBondContact O-CG2 3.37Å; L97-V101 PolarHBondContact O-N 3.41Å
98Q48.4Very low55.5Low121 Ų121111.1 Ų111.157%0.56554%0.536SS*.Hα-helixtrans-68.9-43.2176.7-160.5169.60.100111.4R94 R95 S100 V101 D102R94-Q98 WeakPolarHBondContact O-CB 3.45Å; R94-Q98 PolarHBondContact O-N 2.87Å; R95-Q98 CarbonylContact O-C 3.58Å; R95-Q98 PolarHBondContact O-N 3.47Å; Q98-S100 PolarHBondContact O-N 3.33Å; Q98-V101 CarbonylContact O-C 3.59Å; Q98-V101 PolarHBondContact O-N 2.97Å; Q98-V101 VanDerWaalsContact O-N 3.1Å; Q98-D102 WeakPolarHBondContact CG-OD2 3.31Å; Q98-D102 VanDerWaalsContact O-CB 3.29Å; Q98-D102 WeakPolarHBondContact O-CB 3.42Å; Q98-D102 PolarHBondContact O-N 2.96Å
99E51.5Low53.4Low137 Ų137106.5 Ų106.564%0.6453%0.533SS*.Hα-helixtrans-66.2-21.2172.2-71.4173.8136.300113.4R95 P103R95-E99 WeakPolarHBondContact O-CB 3.46Å; R95-E99 WeakPolarHBondContact O-CG 3.33Å; R95-E99 PolarHBondContact O-N 3.47Å; E99-P103 VanDerWaalsContact O-CD 3.26Å; E99-P103 WeakPolarHBondContact O-CD 3.42Å
100S47.3Very low51.7Low75 Ų75107.5 Ų107.552%0.52455%0.546SS..Hα-helixtrans-86.4-20.2172.172.30000113.9K96 L97 Q98 P103K96-S100 VanDerWaalsContact O-CB 3.3Å; K96-S100 WeakPolarHBondContact O-CB 3.39Å; K96-S100 PolarHBondContact O-N 2.86Å; K96-S100 PolarHBondContact O-OG 3.36Å; L97-S100 WeakPolarHBondContact CA-OG 3.24Å; L97-S100 PolarHBondContact O-N 2.84Å; L97-S100 PolarHBondContact O-OG 3.35Å; Q98-S100 PolarHBondContact O-N 3.33Å; S100-P103 WeakPolarHBondContact O-CD 3.46Å
101V47.3Very low50.3Low100 Ų100109.8 Ų109.861%0.60655%0.55SS**Hα-helixtrans-92.6-25.3174.6173.10000110.9L97 Q98L97-V101 VanDerWaalsContact O-CG2 3.28Å; L97-V101 WeakPolarHBondContact O-CG2 3.37Å; L97-V101 PolarHBondContact O-N 3.41Å; Q98-V101 CarbonylContact O-C 3.59Å; Q98-V101 PolarHBondContact O-N 2.97Å; Q98-V101 VanDerWaalsContact O-N 3.1Å
102D43.3Very low49.1Very low80 Ų80107.6 Ų107.643%0.42855%0.55SS.*THydrogen-bonded Turntrans-96.118.5178.1-71.7-42.2000117.9Q98 F104Q98-D102 WeakPolarHBondContact CG-OD2 3.31Å; Q98-D102 VanDerWaalsContact O-CB 3.29Å; Q98-D102 WeakPolarHBondContact O-CB 3.42Å; Q98-D102 PolarHBondContact O-N 2.96Å; D102-F104 VanDerWaalsContact C-N 3.31Å
103P45.4Very low48.1Very low73 Ų73110.5 Ų110.547%0.47457%0.567SS.*THydrogen-bonded Turntrans-85.3-4.6158.625.4-13.2000112.4E99 S100E99-P103 VanDerWaalsContact O-CD 3.26Å; E99-P103 WeakPolarHBondContact O-CD 3.42Å; S100-P103 WeakPolarHBondContact O-CD 3.46Å
104F43.7Very low47.4Very low155 Ų155112 Ų11268%0.6858%0.577SS**THydrogen-bonded Turntrans-101.7-4.7-177.7-114.6-86.2000115.3D102D102-F104 VanDerWaalsContact C-N 3.31Å
105T43.6Very low46.7Very low91 Ų91112.7 Ų112.756%0.55858%0.58SS**THydrogen-bonded Turntrans-106.4-26.8-176.9-34.80000112.8
106D41.3Very low46Very low138 Ų138108.4 Ų108.474%0.73859%0.585SS**SBendtrans-87.3-20.9174.8-115.8-26000113.8R108 G109 A110D106-R108 VanDerWaalsContact C-N 3.3Å; D106-G109 PolarHBondContact O-N 3.19Å; D106-A110 PolarHBondContact O-N 2.96Å
107Q44.2Very low45.5Very low119 Ų119110.3 Ų110.356%0.55660%0.595SS**Hα-helixtrans-70.9-26.5165.1-105.9176.317.400112.1G109 A110 D111Q107-G109 VanDerWaalsContact C-N 3.31Å; Q107-G109 PolarHBondContact O-N 2.87Å; Q107-A110 PolarHBondContact O-N 2.95Å; Q107-D111 WeakPolarHBondContact O-CA 3.24Å; Q107-D111 WeakPolarHBondContact O-CB 3.31Å; Q107-D111 PolarHBondContact O-N 3.31Å
108R43.3Very low45.2Very low190 Ų190114 Ų11472%0.71760%0.602SS**Hα-helixtrans-73.3-20.5174.2-86.5-178.2173.2-177-0.2113.8D106 A112D106-R108 VanDerWaalsContact C-N 3.3Å; R108-A112 WeakPolarHBondContact O-CB 3.48Å; R108-A112 PolarHBondContact O-N 3.28Å
109G40.3Very low45.1Very low49 Ų49117.3 Ų117.351%0.50562%0.618SS.*Hα-helixtrans-83.3-35.5172.700000113.3D106 Q107D106-G109 PolarHBondContact O-N 3.19Å; Q107-G109 VanDerWaalsContact C-N 3.31Å; Q107-G109 PolarHBondContact O-N 2.87Å
110A44.3Very low44.8Very low57 Ų57115.7 Ų115.747%0.47163%0.628SS.*Hα-helixtrans-80.5-32.8174.400000112.9D106 Q107 I114D106-A110 PolarHBondContact O-N 2.96Å; Q107-A110 PolarHBondContact O-N 2.95Å; A110-I114 PolarHBondContact O-N 3.47Å
111D45.2Very low44.8Very low80 Ų80114.6 Ų114.643%0.42863%0.628SS.*Hα-helixtrans-79.5-18.9174.9-72-36000113.1Q107 N113 R115Q107-D111 WeakPolarHBondContact O-CA 3.24Å; Q107-D111 WeakPolarHBondContact O-CB 3.31Å; Q107-D111 PolarHBondContact O-N 3.31Å; D111-N113 VanDerWaalsContact C-N 3.33Å; D111-R115 WeakPolarHBondContact O-CB 3.19Å; D111-R115 WeakPolarHBondContact O-CG 3.47Å; D111-R115 PolarHBondContact O-N 2.88Å
112A46.7Very low44.6Very low68 Ų68119.2 Ų119.256%0.56265%0.645SS**Hα-helixtrans-72.7-26172.300000112.7R108R108-A112 WeakPolarHBondContact O-CB 3.48Å; R108-A112 PolarHBondContact O-N 3.28Å
113N45Very low45.1Very low139 Ų139124.6 Ų124.674%0.74367%0.665SS**Hα-helixtrans-89.3-17.3175.9-149.58.6000112.8D111D111-N113 VanDerWaalsContact C-N 3.33Å
114I49.6Very low46Very low91 Ų91125.1 Ų125.147%0.46768%0.675SS.*Hα-helixtrans-94.7-21.9173.9-60.5-176.2000112A110 G116 Q117A110-I114 PolarHBondContact O-N 3.47Å; I114-G116 VanDerWaalsContact C-N 3.31Å; I114-G116 PolarHBondContact O-N 3.5Å; I114-Q117 PolarHBondContact O-N 2.87Å
115R45.5Very low46.7Very low204 Ų204123 Ų12377%0.7768%0.677SS**THydrogen-bonded Turntrans-71.6-17.7173.3-94.5179.6163-176.3-4.4115D111 Q117D111-R115 WeakPolarHBondContact O-CB 3.19Å; D111-R115 WeakPolarHBondContact O-CG 3.47Å; D111-R115 PolarHBondContact O-N 2.88Å; R115-Q117 VanDerWaalsContact C-N 3.32Å
116G43.2Very low47.5Very low67 Ų67123.6 Ų123.669%0.69168%0.683SS**THydrogen-bonded Turntrans-75.4-16.5173.300000114.4I114I114-G116 VanDerWaalsContact C-N 3.31Å; I114-G116 PolarHBondContact O-N 3.5Å
117Q44.5Very low48.3Very low175 Ų175119.7 Ų119.782%0.81867%0.666SS**THydrogen-bonded Turntrans-111.5-8.2-177.6-96-172.7-22.500114.7I114 R115I114-Q117 PolarHBondContact O-N 2.87Å; R115-Q117 VanDerWaalsContact C-N 3.32Å
118R44.6Very low48.6Very low184 Ų184123.5 Ų123.569%0.69468%0.677SS**  trans-10321.5-176.9-75.3-166.3174.8-166.10.9115.3A120R118-A120 PolarHBondContact O-N 3.34Å; R118-A120 VanDerWaalsContact O-N 3.11Å
119Q48.1Very low49.3Very low192 Ų192120.1 Ų120.190%0.89767%0.673SS**THydrogen-bonded Turntrans-74.316.8168.9-79.4-171-2.300114.1
120A45Very low50.1Low103 Ų103121.8 Ų121.885%0.85167%0.671SS**THydrogen-bonded Turntrans-128.719.1-175.500000115.2R118R118-A120 PolarHBondContact O-N 3.34Å; R118-A120 VanDerWaalsContact O-N 3.11Å
121G45.8Very low50.7Low51 Ų51122.5 Ų122.553%0.52667%0.669SS.*  trans-149.6100.9177.400000112.6F123G121-F123 PolarHBondContact O-N 2.93Å; G121-F123 VanDerWaalsContact O-N 3.1Å
122M44.6Very low51.2Low198 Ų198123 Ų12398%0.97567%0.671SS**  trans-60107.8172.3-71.2-171.9-8900110.1A124M122-A124 PolarHBondContact O-N 3.33Å
123F53.4Low51.7Low193 Ų193126.4 Ų126.485%0.84668%0.675SS**  trans-84.6103.9164.2-103.3-93.6000108G121G121-F123 PolarHBondContact O-N 2.93Å; G121-F123 VanDerWaalsContact O-N 3.1Å
124A64Low52.1Low83 Ų83126.2 Ų126.269%0.68667%0.67SS**PPolyproline II helixtrans-69.2144.3169.300000109.9M122M122-A124 PolarHBondContact O-N 3.33Å
125P58.9Low52.1Low112 Ų112126.4 Ų126.473%0.72767%0.672SS**PPolyproline II helixtrans-61.2148.8171.926.6-33.1000110.5S127P125-S127 PolarHBondContact O-N 3.44Å
126P60Low52.6Low103 Ų103120.5 Ų120.567%0.66966%0.658SS**PPolyproline II helixtrans-56.3140.8177.724-32.9000110.2
127S57.9Low53.2Low56 Ų56123.1 Ų123.139%0.39265%0.652SS.*PPolyproline II helixtrans-70.7152.1-179.670.90000109.7P125 D129 D130P125-S127 PolarHBondContact O-N 3.44Å; S127-D129 PolarHBondContact O-N 3.29Å; S127-D130 PolarHBondContact N-OD2 2.97Å; S127-D130 PolarHBondContact O-N 3.38Å; S127-D130 VanDerWaalsContact OG-CG 3.31Å; S127-D130 PolarHBondContact OG-OD2 2.88Å
128Y50.8Low53.5Low198 Ų198122.3 Ų122.378%0.77664%0.643SS**Hα-helixtrans-58.4-23.3-179.6-156.6-97.1000112.2L132Y128-L132 HydrophobicContact CD1-CD1 3.75Å; Y128-L132 HydrophobicContact CE1-CD1 3.85Å; Y128-L132 PolarHBondContact O-N 2.95Å
129D58Low53.8Low119 Ų119123.2 Ų123.264%0.63665%0.646SS**Hα-helixtrans-71.9-33.6177.8-67.7-35.1000112.9S127 V131 L132 Q133S127-D129 PolarHBondContact O-N 3.29Å; D129-V131 VanDerWaalsContact C-N 3.31Å; D129-V131 PolarHBondContact O-N 2.9Å; D129-L132 PolarHBondContact O-N 2.86Å; D129-Q133 PolarHBondContact O-N 3.46Å; D129-Q133 VanDerWaalsContact O-N 3.07Å
130D57.2Low54Low85 Ų85121 Ų12146%0.45564%0.636SS.*Hα-helixtrans-65.5-37179.2-60.1-51000111.2S127 Q133 E134S127-D130 PolarHBondContact N-OD2 2.97Å; S127-D130 PolarHBondContact O-N 3.38Å; S127-D130 VanDerWaalsContact OG-CG 3.31Å; S127-D130 PolarHBondContact OG-OD2 2.88Å; D130-Q133 PolarHBondContact O-N 2.94Å; D130-E134 PolarHBondContact O-N 2.7Å
131V56.5Low54.4Low72 Ų72122.6 Ų122.644%0.43663%0.626SS.*Hα-helixtrans-74-29.7179.4-169.90000111.7D129 N135D129-V131 VanDerWaalsContact C-N 3.31Å; D129-V131 PolarHBondContact O-N 2.9Å; V131-N135 PolarHBondContact O-N 3.32Å; V131-N135 PolarHBondContact O-ND2 2.95Å
132L56.2Low54.8Low91 Ų91123.9 Ų123.948%0.47663%0.632SS.*Hα-helixtrans-73.4-37.6175.3-103.1141.5000111.4Y128 D129 N135 V136Y128-L132 HydrophobicContact CD1-CD1 3.75Å; Y128-L132 HydrophobicContact CE1-CD1 3.85Å; Y128-L132 PolarHBondContact O-N 2.95Å; D129-L132 PolarHBondContact O-N 2.86Å; L132-N135 PolarHBondContact O-N 2.92Å; L132-V136 WeakPolarHBondContact O-CG2 3.35Å; L132-V136 PolarHBondContact O-N 3.48Å; L132-V136 VanDerWaalsContact O-N 3.11Å
133Q56.8Low55.3Low138 Ų138119.6 Ų119.665%0.64562%0.621SS**Hα-helixtrans-67.5-39.6179.8-156.1169.120.700112.1D129 D130 N135 V136 Q137D129-Q133 PolarHBondContact O-N 3.46Å; D129-Q133 VanDerWaalsContact O-N 3.07Å; D130-Q133 PolarHBondContact O-N 2.94Å; Q133-N135 VanDerWaalsContact C-N 3.33Å; Q133-N135 PolarHBondContact O-N 3.42Å; Q133-V136 PolarHBondContact O-N 3.34Å; Q133-Q137 PolarHBondContact O-N 2.92Å; Q133-Q137 VanDerWaalsContact O-N 3.08Å
134E53.7Low55.2Low135 Ų135113.9 Ų113.963%0.63162%0.617SS**Hα-helixtrans-62.8-38174.7-167.4177.5-176.100112D130 Q137 Y138D130-E134 PolarHBondContact O-N 2.7Å; E134-Q137 PolarHBondContact O-N 3.37Å; E134-Y138 PolarHBondContact O-N 3.06Å; E134-Y138 VanDerWaalsContact O-N 3.13Å
135N50.2Low54.1Low96 Ų96112.8 Ų112.851%0.51361%0.613SS.*Hα-helixtrans-73-26.8177.7-80.6-59.8000113.9V131 L132 Q133 R139V131-N135 PolarHBondContact O-N 3.32Å; V131-N135 PolarHBondContact O-ND2 2.95Å; L132-N135 PolarHBondContact O-N 2.92Å; Q133-N135 VanDerWaalsContact C-N 3.33Å; Q133-N135 PolarHBondContact O-N 3.42Å; N135-R139 PolarHBondContact O-N 3.22Å
136V56.1Low53.5Low79 Ų79111 Ų11148%0.47962%0.616SS.*Hα-helixtrans-75.6-40174.1174.70000110.3L132 Q133 Y138 R139 E140L132-V136 WeakPolarHBondContact O-CG2 3.35Å; L132-V136 PolarHBondContact O-N 3.48Å; L132-V136 VanDerWaalsContact O-N 3.11Å; Q133-V136 PolarHBondContact O-N 3.34Å; V136-Y138 PolarHBondContact O-N 2.95Å; V136-R139 WeakPolarHBondContact O-CB 3.5Å; V136-R139 PolarHBondContact O-N 2.88Å; V136-R139 VanDerWaalsContact O-N 3.12Å; V136-E140 PolarHBondContact O-N 3.33Å; V136-E140 VanDerWaalsContact O-N 3.1Å
137Q55.6Low52.6Low122 Ų122117.7 Ų117.757%0.5763%0.627SS**Hα-helixtrans-65.2-40.4179.2-151.5166.16.400111.7Q133 E134 R139 E140 E141Q133-Q137 PolarHBondContact O-N 2.92Å; Q133-Q137 VanDerWaalsContact O-N 3.08Å; E134-Q137 PolarHBondContact O-N 3.37Å; Q137-R139 PolarHBondContact O-N 3.48Å; Q137-E140 PolarHBondContact O-N 2.97Å; Q137-E141 WeakPolarHBondContact O-CG 3.45Å; Q137-E141 PolarHBondContact O-N 3.36Å; Q137-E141 VanDerWaalsContact O-N 3.13Å
138Y50.7Low52.4Low158 Ų158120 Ų12062%0.6264%0.644SS**Hα-helixtrans-65.3-27.8174.2-136.7-92.6000113.3E134 V136 A142E134-Y138 PolarHBondContact O-N 3.06Å; E134-Y138 VanDerWaalsContact O-N 3.13Å; V136-Y138 PolarHBondContact O-N 2.95Å; Y138-A142 VanDerWaalsContact O-CB 3.29Å; Y138-A142 WeakPolarHBondContact O-CB 3.37Å; Y138-A142 PolarHBondContact O-N 3.39Å; Y138-A142 VanDerWaalsContact O-N 3.14Å
139R49.8Very low52.5Low203 Ų203118.1 Ų118.177%0.76665%0.647SS**Hα-helixtrans-78.5-31.5178.6-168.3176.7-176.8164.10.2112.3N135 V136 Q137 S143N135-R139 PolarHBondContact O-N 3.22Å; V136-R139 WeakPolarHBondContact O-CB 3.5Å; V136-R139 PolarHBondContact O-N 2.88Å; V136-R139 VanDerWaalsContact O-N 3.12Å; Q137-R139 PolarHBondContact O-N 3.48Å; R139-S143 WeakPolarHBondContact O-CB 3.24Å; R139-S143 PolarHBondContact O-N 2.85Å
140E52.7Low52.1Low145 Ų145124.2 Ų124.268%0.67866%0.661SS**Hα-helixtrans-74.6-37.2174-72.8-173.5155.600111.8V136 Q137 S143V136-E140 PolarHBondContact O-N 3.33Å; V136-E140 VanDerWaalsContact O-N 3.1Å; Q137-E140 PolarHBondContact O-N 2.97Å; E140-S143 PolarHBondContact O-N 3.37Å
141E54.1Low51.8Low137 Ų137127.3 Ų127.364%0.6468%0.677SS**Hα-helixtrans-68.6-36174.6-68.8-178174.300112.5Q137 S143Q137-E141 WeakPolarHBondContact O-CG 3.45Å; Q137-E141 PolarHBondContact O-N 3.36Å; Q137-E141 VanDerWaalsContact O-N 3.13Å; E141-S143 VanDerWaalsContact C-N 3.3Å; E141-S143 PolarHBondContact O-N 3.43Å
142A54.2Low51.6Low78 Ų78126.3 Ų126.365%0.64567%0.673SS**THydrogen-bonded Turntrans-74.8-15.5176.100000114.2Y138Y138-A142 VanDerWaalsContact O-CB 3.29Å; Y138-A142 WeakPolarHBondContact O-CB 3.37Å; Y138-A142 PolarHBondContact O-N 3.39Å; Y138-A142 VanDerWaalsContact O-N 3.14Å
143S54.2Low51.2Low108 Ų108130.9 Ų130.976%0.75569%0.685SS**THydrogen-bonded Turntrans-95.5-5.4-178-161.20000113.7R139 E140 E141R139-S143 WeakPolarHBondContact O-CB 3.24Å; R139-S143 PolarHBondContact O-N 2.85Å; E140-S143 PolarHBondContact O-N 3.37Å; E141-S143 VanDerWaalsContact C-N 3.3Å; E141-S143 PolarHBondContact O-N 3.43Å
144G50.8Low50.9Low73 Ų73132.7 Ų132.775%0.75369%0.692SS**SBendtrans-105.1-8.3-17400000116.9
145G42.5Very low50.9Low60 Ų60130.2 Ų130.262%0.61969%0.685SS**SBendtrans-139.2114.2-170.700000112.9
146G46.1Very low50.9Low75 Ų75128.5 Ų128.577%0.77369%0.685SS**  trans-63.9143.7-171.400000116
147R41.2Very low50.8Low243 Ų243129.5 Ų129.592%0.91769%0.691SS**SBendtrans50.484.3149-66.1170.798168.54.7115.8
148S53.4Low50.6Low106 Ų106133.4 Ų133.474%0.74170%0.7SS**SBendtrans-172.9-18.4131.4-870000116.5R150S148-R150 VanDerWaalsContact C-N 3.27Å; S148-R150 PolarHBondContact O-N 3.28Å
149D51.6Low50.5Low157 Ų157130.5 Ų130.584%0.8470%0.703SS**  trans-89.433.4-169.9-62.5-32.7000115.7L151D149-L151 PolarHBondContact O-N 3.36Å
150R49.3Very low50.4Low248 Ų248124.1 Ų124.194%0.93669%0.694SS**  trans-78.22.9175.7-117.2-173.3177.7-166.1-0.2114.3S148S148-R150 VanDerWaalsContact C-N 3.27Å; S148-R150 PolarHBondContact O-N 3.28Å
151L51.4Low49.9Very low150 Ų150125.8 Ų125.879%0.78570%0.699SS**SBendtrans-102.6104.2159.1-78.982.6000105.6D149D149-L151 PolarHBondContact O-N 3.36Å
152S51.9Low49.5Very low51 Ų51125.1 Ų125.136%0.35770%0.704SS.*  174.735.785.4-108.80000112.5F154 T155 A156S152-F154 PolarHBondContact O-N 2.95Å; S152-T155 WeakPolarHBondContact CB-OG1 3.43Å; S152-T155 WeakPolarHBondContact O-CA 3.26Å; S152-T155 PolarHBondContact O-N 3.34Å; S152-T155 WeakPolarHBondContact OG-CB 3.34Å; S152-T155 PolarHBondContact OG-OG1 2.91Å; S152-A156 PolarHBondContact O-N 3.18Å
153Y49.6Very low49Very low187 Ų187128.5 Ų128.573%0.73372%0.717SS**Hα-helixtrans-56.1-34.6168-115.7-89.7000110.9T155 V157Y153-T155 VanDerWaalsContact C-N 3.29Å; Y153-T155 PolarHBondContact O-N 3.47Å; Y153-V157 WeakPolarHBondContact O-CB 3.3Å; Y153-V157 WeakPolarHBondContact O-CG2 3.12Å; Y153-V157 PolarHBondContact O-N 2.91Å; Y153-V157 VanDerWaalsContact O-N 3.13Å
154F49.9Very low48.6Very low176 Ų176127.3 Ų127.377%0.77271%0.708SS**Hα-helixtrans-71-19.3173.1-119.5-87.3000114.6S152 R158S152-F154 PolarHBondContact O-N 2.95Å; F154-R158 WeakPolarHBondContact O-CB 3.46Å; F154-R158 PolarHBondContact O-N 3.45Å
155T53.6Low48.7Very low82 Ų82130.4 Ų130.450%0.50371%0.713SS.*Hα-helixtrans-93.5-35.6179-46.20000111.1S152 Y153 V157 R158 S159S152-T155 WeakPolarHBondContact CB-OG1 3.43Å; S152-T155 WeakPolarHBondContact O-CA 3.26Å; S152-T155 PolarHBondContact O-N 3.34Å; S152-T155 WeakPolarHBondContact OG-CB 3.34Å; S152-T155 PolarHBondContact OG-OG1 2.91Å; Y153-T155 VanDerWaalsContact C-N 3.29Å; Y153-T155 PolarHBondContact O-N 3.47Å; T155-V157 VanDerWaalsContact C-N 3.34Å; T155-R158 PolarHBondContact O-N 2.89Å; T155-S159 PolarHBondContact O-N 3.45Å; T155-S159 PolarHBondContact O-OG 3.41Å; T155-S159 VanDerWaalsContact O-OG 3.13Å
156A50.8Low49.2Very low60 Ų60133.3 Ų133.350%0.49672%0.719SS.*Hα-helixtrans-65.3-36.317100000112.1S152 S159 A160S152-A156 PolarHBondContact O-N 3.18Å; A156-S159 PolarHBondContact O-OG 3.35Å; A156-A160 PolarHBondContact O-N 3.47Å
157V52.9Low49.1Very low100 Ų100134.6 Ų134.661%0.60672%0.722SS**Hα-helixtrans-78.1-21.8175.6178.50000112.3Y153 T155Y153-V157 WeakPolarHBondContact O-CB 3.3Å; Y153-V157 WeakPolarHBondContact O-CG2 3.12Å; Y153-V157 PolarHBondContact O-N 2.91Å; Y153-V157 VanDerWaalsContact O-N 3.13Å; T155-V157 VanDerWaalsContact C-N 3.34Å
158R51.3Low49.2Very low204 Ų204132.9 Ų132.977%0.7774%0.738SS**Hα-helixtrans-83.1-25.3172.6-98.7-172.6175170.60.5114.1F154 T155 A160F154-R158 WeakPolarHBondContact O-CB 3.46Å; F154-R158 PolarHBondContact O-N 3.45Å; T155-R158 PolarHBondContact O-N 2.89Å; R158-A160 VanDerWaalsContact C-N 3.35Å
159S49.1Very low49Very low97 Ų97134.2 Ų134.268%0.67874%0.738SS**Hα-helixtrans-79.6-1917250.80000112.6T155 A156 K161T155-S159 PolarHBondContact O-N 3.45Å; T155-S159 PolarHBondContact O-OG 3.41Å; T155-S159 VanDerWaalsContact O-OG 3.13Å; A156-S159 PolarHBondContact O-OG 3.35Å; S159-K161 PolarHBondContact O-N 3.29Å
160A47.5Very low48.9Very low70 Ų70133 Ų13358%0.57973%0.733SS**SBendtrans-7560.8164.200000111A156 R158 V162A156-A160 PolarHBondContact O-N 3.47Å; R158-A160 VanDerWaalsContact C-N 3.35Å; A160-V162 PolarHBondContact O-N 2.88Å
161K42.7Very low48.9Very low179 Ų179126.6 Ų126.678%0.77872%0.721SS**  trans-70.894.7172.9-173.2171.9179.4173.40109.1S159 T163S159-K161 PolarHBondContact O-N 3.29Å; K161-T163 PolarHBondContact O-N 2.88Å; K161-T163 VanDerWaalsContact O-N 3.13Å
162V44.4Very low48.7Very low123 Ų123125.2 Ų125.275%0.74572%0.718SS**  trans14.686.8142.3-170.40000114.1A160A160-V162 PolarHBondContact O-N 2.88Å
163T45Very low48.5Very low149 Ų149129.9 Ų129.991%0.91474%0.74SS**  trans-96.875.6155.9-45.60000106.9K161K161-T163 PolarHBondContact O-N 2.88Å; K161-T163 VanDerWaalsContact O-N 3.13Å
164S45.6Very low48.5Very low83 Ų83126.1 Ų126.158%0.5874%0.741SS**  trans-118.6103.6168.5178.30000107.7
165T52.6Low48.3Very low139 Ų139122.5 Ų122.585%0.85374%0.738SS**  trans-140.9101.3147.434.70000106.5
166T53.1Low47.9Very low120 Ų120125.6 Ų125.674%0.73676%0.756SS**  trans-53.3126168.140.90000110.5
167A43.4Very low47.7Very low102 Ų102131.1 Ų131.184%0.84378%0.778SS**  trans-70.7125.4154.200000107.5
168V44.7Very low47.2Very low207 Ų207133.9 Ų133.9100%1.25579%0.794SS**  trans-83.40162.9-174.70000107.7

Retrieved 168 of 168 residues in 56 ms (Link to these results)