A0A077Z2F3_TRITR Loading...

TPR 11 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z2F3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 170 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
1M41.4Very low50.7Low249 Ų249151.2 Ų151.2100%1.22783%0.832SS**  0125.30-66179.7-168.200106.3
2R45Very low51.5Low226 Ų226147.8 Ų147.885%0.85381%0.812SS**  cis-160.2112.613.8-167.5177.8-167.5171.61.7104
3F44.3Very low52.4Low220 Ų220145 Ų14597%0.96580%0.795SS**PPolyproline II helixtrans-81.5123170.4-105.8-90.8000107.2
4M48.1Very low53.6Low171 Ų171143.6 Ų143.684%0.84279%0.786SS**PPolyproline II helixtrans-80.8121.1171.7-70.1-167.9162.900108.4
5A51.9Low55Low97 Ų97142.7 Ų142.780%0.80277%0.772SS**PPolyproline II helixtrans-82.6124.316700000108.1
6S53.5Low56.2Low117 Ų117139.9 Ų139.982%0.81876%0.756SS**PPolyproline II helixtrans-68.3135.5170.4600000110G8S6-G8 PolarHBondContact O-N 3.23Å
7E55Low57.1Low195 Ų195138.1 Ų138.191%0.91175%0.746SS**  trans-59.9115174.7-65.8171.7165.400110.1
8G51Low58Low62 Ų62134.2 Ų134.264%0.63973%0.73SS**  trans-79.4119.4164.800000108.6S6 N10S6-G8 PolarHBondContact O-N 3.23Å; G8-N10 PolarHBondContact O-N 3.31Å
9S54.3Low58.9Low123 Ų123131.6 Ų131.686%0.8671%0.714SS**  trans-62108.3165.253.10000108.8S11S9-S11 PolarHBondContact O-N 3.18Å
10N53.8Low59.5Low113 Ų113129 Ų12960%0.60470%0.699SS**  trans-71.3114.6175.7-79.1-20.9000109.1G8 D12G8-N10 PolarHBondContact O-N 3.31Å; N10-D12 PolarHBondContact O-N 3.16Å; N10-D12 VanDerWaalsContact O-N 3.16Å
11S59.4Low60.2Low90 Ų90131.7 Ų131.763%0.62970%0.699SS**THydrogen-bonded Turntrans-68.3-4.7174.767.40000113.9S9S9-S11 PolarHBondContact O-N 3.18Å
12D60Low61.5Low111 Ų111128.7 Ų128.759%0.59467%0.674SS**Hα-helixtrans-73.9-31.8-177.4-64.7-19.9000111.6N10 D14 F15 D16N10-D12 PolarHBondContact O-N 3.16Å; N10-D12 VanDerWaalsContact O-N 3.16Å; D12-D14 VanDerWaalsContact C-N 3.28Å; D12-D14 PolarHBondContact O-N 3.18Å; D12-F15 PolarHBondContact O-N 3.42Å; D12-D16 PolarHBondContact O-N 3.46Å
13D63.6Low62.7Low111 Ų111123.9 Ų123.959%0.59466%0.66SS**Hα-helixtrans-67-28.3179.4-65.2-27.7000112.6N17D13-N17 WeakPolarHBondContact O-CB 3.46Å; D13-N17 PolarHBondContact O-N 3.25Å
14D69.3Low63.8Low125 Ų125120.1 Ų120.167%0.66865%0.65SS**Hα-helixtrans-73.8-32.8177.6-79.5-27.4000112.3D12 C18D12-D14 VanDerWaalsContact C-N 3.28Å; D12-D14 PolarHBondContact O-N 3.18Å; D14-C18 WeakPolarHBondContact O-CB 3.49Å; D14-C18 PolarHBondContact O-N 2.94Å
15F74Confident64.9Low130 Ų130118.5 Ų118.557%0.5765%0.645SS**Hα-helixtrans-70.7-44.8179.6-178.4-98.8000111.4D12 N17 C18 M19D12-F15 PolarHBondContact O-N 3.42Å; F15-N17 VanDerWaalsContact C-N 3.35Å; F15-N17 PolarHBondContact O-N 3.33Å; F15-C18 PolarHBondContact O-N 3.31Å; F15-M19 HydrophobicContact CD1-CG 4.13Å; F15-M19 HydrophobicContact CE1-CG 3.67Å; F15-M19 HydrophobicContact CE2-CG 4.27Å; F15-M19 HydrophobicContact CZ-CE 4.46Å; F15-M19 HydrophobicContact CZ-CG 3.74Å; F15-M19 HydrophobicContact CZ-SD 4.14Å; F15-M19 WeakPolarHBondContact O-CG 3.49Å; F15-M19 PolarHBondContact O-N 3.29Å
16D74.1Confident65.4Low98 Ų98119.9 Ų119.952%0.52464%0.638SS.*Hα-helixtrans-62.9-42.3179.4-77.4-22.1000111.5D12 C18 M19 D20D12-D16 PolarHBondContact O-N 3.46Å; D16-C18 VanDerWaalsContact C-N 3.34Å; D16-C18 PolarHBondContact O-N 3.4Å; D16-M19 PolarHBondContact O-N 3.39Å; D16-D20 PolarHBondContact O-N 3.41Å
17N71.9Confident65.9Low109 Ų109125.6 Ų125.658%0.58364%0.641SS**Hα-helixtrans-67.4-33.7179.1-146.7-4.7000112.4D13 F15 R21D13-N17 WeakPolarHBondContact O-CB 3.46Å; D13-N17 PolarHBondContact O-N 3.25Å; F15-N17 VanDerWaalsContact C-N 3.35Å; F15-N17 PolarHBondContact O-N 3.33Å; N17-R21 PolarHBondContact O-N 3.2Å
18C73.7Confident66.6Low68 Ų68124.3 Ų124.346%0.45964%0.636SS.*Hα-helixtrans-68.9-41.9172-175.60000112D14 F15 D16 D20 R21 W22D14-C18 WeakPolarHBondContact O-CB 3.49Å; D14-C18 PolarHBondContact O-N 2.94Å; F15-C18 PolarHBondContact O-N 3.31Å; D16-C18 VanDerWaalsContact C-N 3.34Å; D16-C18 PolarHBondContact O-N 3.4Å; C18-D20 VanDerWaalsContact C-N 3.35Å; C18-R21 PolarHBondContact O-N 3.17Å; C18-W22 PolarHBondContact O-N 3.24Å
19M74.5Confident67.6Low86 Ų86126.9 Ų126.942%0.42464%0.641SS.*Hα-helixtrans-64.3-38.4178.8-79.8-69.3-87.900111.9F15 D16 W22 K23F15-M19 HydrophobicContact CD1-CG 4.13Å; F15-M19 HydrophobicContact CE1-CG 3.67Å; F15-M19 HydrophobicContact CE2-CG 4.27Å; F15-M19 HydrophobicContact CZ-CE 4.46Å; F15-M19 HydrophobicContact CZ-CG 3.74Å; F15-M19 HydrophobicContact CZ-SD 4.14Å; F15-M19 WeakPolarHBondContact O-CG 3.49Å; F15-M19 PolarHBondContact O-N 3.29Å; D16-M19 PolarHBondContact O-N 3.39Å; M19-W22 PolarHBondContact O-N 2.79Å; M19-K23 WeakPolarHBondContact O-CG 3.46Å; M19-K23 PolarHBondContact O-N 2.96Å
20D72.3Confident68.4Low78 Ų78128.6 Ų128.642%0.41763%0.633SS.*Hα-helixtrans-69-38.5177.2-73.9-19.5000112.4D16 C18 W22 K23 D24D16-D20 PolarHBondContact O-N 3.41Å; C18-D20 VanDerWaalsContact C-N 3.35Å; D20-W22 PolarHBondContact O-N 3.07Å; D20-K23 WeakPolarHBondContact O-CB 3.5Å; D20-K23 PolarHBondContact O-N 2.89Å; D20-K23 VanDerWaalsContact O-N 3.15Å; D20-K23 IonicContact OD1-NZ 2.79Å; D20-K23 PolarHBondContact OD1-NZ 3.37Å; D20-D24 PolarHBondContact O-N 3.41Å; D20-D24 VanDerWaalsContact O-N 3.12Å
21R73Confident69.6Low186 Ų186125.5 Ų125.570%0.70262%0.62SS**Hα-helixtrans-59.9-32.3169.9-92.5-170.3-177-153.42.4113.8N17 C18 N25N17-R21 PolarHBondContact O-N 3.2Å; C18-R21 PolarHBondContact O-N 3.17Å; R21-N25 PolarHBondContact O-N 3.27Å; R21-N25 PolarHBondContact O-ND2 3.47Å
22W69.7Low70.7Confident186 Ų186126.7 Ų126.771%0.70561%0.614SS**Hα-helixtrans-73.8-36.9176.2-89.851.8000111.9C18 M19 D20 D24 N25 L26C18-W22 PolarHBondContact O-N 3.24Å; M19-W22 PolarHBondContact O-N 2.79Å; D20-W22 PolarHBondContact O-N 3.07Å; W22-D24 VanDerWaalsContact C-N 3.31Å; W22-D24 PolarHBondContact O-N 3.03Å; W22-N25 CarbonylContact O-C 3.59Å; W22-N25 PolarHBondContact O-N 3Å; W22-L26 PolarHBondContact O-N 3.12Å
23K69Low71.8Confident125 Ų125126.2 Ų126.254%0.54361%0.612SS.*Hα-helixtrans-60.6-40.2173.6-70.1176-162.3150.60112.2M19 D20 N25 L26M19-K23 WeakPolarHBondContact O-CG 3.46Å; M19-K23 PolarHBondContact O-N 2.96Å; D20-K23 WeakPolarHBondContact O-CB 3.5Å; D20-K23 PolarHBondContact O-N 2.89Å; D20-K23 VanDerWaalsContact O-N 3.15Å; D20-K23 IonicContact OD1-NZ 2.79Å; D20-K23 PolarHBondContact OD1-NZ 3.37Å; K23-N25 VanDerWaalsContact C-N 3.3Å; K23-N25 PolarHBondContact O-N 3.45Å; K23-L26 PolarHBondContact O-N 3.15Å
24D68.9Low72.8Confident141 Ų141124.1 Ų124.175%0.75460%0.6SS**Hα-helixtrans-72.2-24.1178.5-67.1-18.2000113.2D20 W22D20-D24 PolarHBondContact O-N 3.41Å; D20-D24 VanDerWaalsContact O-N 3.12Å; W22-D24 VanDerWaalsContact C-N 3.31Å; W22-D24 PolarHBondContact O-N 3.03Å
25N69.5Low73.3Confident138 Ų138121.4 Ų121.474%0.73858%0.584SS**THydrogen-bonded Turntrans-97.41.1177.6-74.6-58.8000113.9R21 W22 K23 R27R21-N25 PolarHBondContact O-N 3.27Å; R21-N25 PolarHBondContact O-ND2 3.47Å; W22-N25 CarbonylContact O-C 3.59Å; W22-N25 PolarHBondContact O-N 3Å; K23-N25 VanDerWaalsContact C-N 3.3Å; K23-N25 PolarHBondContact O-N 3.45Å; N25-R27 PolarHBondContact O-N 3.23Å
26L63.4Low73.8Confident126 Ų126117.8 Ų117.866%0.6657%0.571SS**SBendtrans-67.6105.4171.4-92147.1000107.7W22 K23 E28W22-L26 PolarHBondContact O-N 3.12Å; K23-L26 PolarHBondContact O-N 3.15Å; L26-E28 PolarHBondContact O-N 3.28Å
27R64.4Low74.2Confident236 Ų236119.1 Ų119.189%0.89157%0.572SS**  trans-43.2130.5168.7-175.9177-175.1-1700.8108.4N25N25-R27 PolarHBondContact O-N 3.23Å
28E69.2Low74.7Confident169 Ų169120.4 Ų120.479%0.7957%0.574SS**  trans-44.4136.4-177.7-69.5-174176.600110.4L26 F30L26-E28 PolarHBondContact O-N 3.28Å; E28-F30 PolarHBondContact O-N 2.88Å
29P72Confident75.2Confident116 Ų116120.8 Ų120.875%0.75357%0.571SS**  trans-51.6133.8-179.7-1825.3000109.2C31P29-C31 PolarHBondContact O-N 3.26Å
30F71.9Confident75.6Confident158 Ų158121 Ų12169%0.69357%0.571SS**  trans-53.4109.7175.4172.8-96.2000109.6E28 F32 M35E28-F30 PolarHBondContact O-N 2.88Å; F30-F32 HydrophobicContact CE1-CB 4.07Å; F30-F32 HydrophobicContact CE1-CD2 4.28Å; F30-F32 HydrophobicContact CZ-CD2 4.25Å; F30-M35 HydrophobicContact CE2-CB 4.28Å; F30-M35 HydrophobicContact CE2-CG 4.46Å; F30-M35 HydrophobicContact CZ-CB 4.48Å; F30-M35 HydrophobicContact CZ-CE 4.3Å
31C78.3Confident76Confident48 Ų48121.1 Ų121.132%0.32458%0.578SS.*  trans-101107.4176.5-175.50000108.1P29 D33 D34 M35P29-C31 PolarHBondContact O-N 3.26Å; C31-D33 PolarHBondContact O-N 3.04Å; C31-D34 HydrophobicContact CB-CB 4.04Å; C31-D34 WeakPolarHBondContact CB-OD2 3.18Å; C31-D34 PolarHBondContact O-N 3.22Å; C31-D34 PolarHBondContact SG-OD2 3.46Å; C31-M35 PolarHBondContact O-N 3.12Å; C31-M35 VanDerWaalsContact O-N 3.12Å
32F82.1Confident76.4Confident115 Ų115116.9 Ų116.950%0.50457%0.566SS.*Hα-helixtrans-57.8-33.4179.6-177.3-108.9000111.8F30 D34 M35 L36F30-F32 HydrophobicContact CE1-CB 4.07Å; F30-F32 HydrophobicContact CE1-CD2 4.28Å; F30-F32 HydrophobicContact CZ-CD2 4.25Å; F32-D34 VanDerWaalsContact C-N 3.34Å; F32-M35 HydrophobicContact CD2-CE 3.71Å; F32-M35 HydrophobicContact CE2-CE 3.61Å; F32-M35 PolarHBondContact O-N 3.2Å; F32-L36 HydrophobicContact CD1-CD1 3.48Å; F32-L36 VanDerWaalsContact CD1-CD1 3.48Å; F32-L36 HydrophobicContact CD1-CG 4.11Å; F32-L36 HydrophobicContact CE1-CD1 3.23Å; F32-L36 HydrophobicContact CE1-CD2 4.35Å; F32-L36 HydrophobicContact CE1-CG 3.81Å; F32-L36 HydrophobicContact CG-CD1 4.38Å; F32-L36 HydrophobicContact CZ-CD1 3.92Å; F32-L36 HydrophobicContact CZ-CD2 4.24Å; F32-L36 HydrophobicContact CZ-CG 4Å; F32-L36 WeakPolarHBondContact O-CB 3.27Å; F32-L36 WeakPolarHBondContact O-CG 3.35Å; F32-L36 PolarHBondContact O-N 2.77Å
33D83.6Confident76.6Confident102 Ų102110.8 Ų110.855%0.54555%0.551SS.*Hα-helixtrans-67.5-33.6177.4-67.7-27.1000112.3C31 K37C31-D33 PolarHBondContact O-N 3.04Å; D33-K37 VanDerWaalsContact O-CG 3.27Å; D33-K37 WeakPolarHBondContact O-CG 3.37Å; D33-K37 PolarHBondContact O-N 3.18Å; D33-K37 VanDerWaalsContact O-N 3.07Å
34D83.4Confident76.8Confident67 Ų67107.4 Ų107.436%0.35855%0.546SS..Hα-helixtrans-75.8-39.3177-64-33.2000111.2C31 F32 L36 K37 E38C31-D34 HydrophobicContact CB-CB 4.04Å; C31-D34 WeakPolarHBondContact CB-OD2 3.18Å; C31-D34 PolarHBondContact O-N 3.22Å; C31-D34 PolarHBondContact SG-OD2 3.46Å; F32-D34 VanDerWaalsContact C-N 3.34Å; D34-L36 VanDerWaalsContact C-N 3.33Å; D34-L36 PolarHBondContact O-N 2.98Å; D34-K37 PolarHBondContact O-N 3.31Å; D34-K37 IonicContact OD1-NZ 2.77Å; D34-K37 PolarHBondContact OD1-NZ 3.38Å; D34-E38 PolarHBondContact O-N 3.49Å
35M81.5Confident77.2Confident68 Ų68106 Ų10634%0.33553%0.533SS..Hα-helixtrans-62.6-39.4171.1-171.9-84.6-68.200111.9F30 C31 F32 K37 E38 L39F30-M35 HydrophobicContact CE2-CB 4.28Å; F30-M35 HydrophobicContact CE2-CG 4.46Å; F30-M35 HydrophobicContact CZ-CB 4.48Å; F30-M35 HydrophobicContact CZ-CE 4.3Å; C31-M35 PolarHBondContact O-N 3.12Å; C31-M35 VanDerWaalsContact O-N 3.12Å; F32-M35 HydrophobicContact CD2-CE 3.71Å; F32-M35 HydrophobicContact CE2-CE 3.61Å; F32-M35 PolarHBondContact O-N 3.2Å; M35-K37 VanDerWaalsContact C-N 3.35Å; M35-K37 PolarHBondContact O-N 3.44Å; M35-E38 PolarHBondContact O-N 3.07Å; M35-L39 WeakPolarHBondContact O-CB 3.39Å; M35-L39 PolarHBondContact O-N 2.86Å
36L83.6Confident77.5Confident54 Ų54103 Ų10328%0.28352%0.515SS..Hα-helixtrans-62.2-40.1174.1-86169.8000112.2F32 D34 L39 E40F32-L36 HydrophobicContact CD1-CD1 3.48Å; F32-L36 VanDerWaalsContact CD1-CD1 3.48Å; F32-L36 HydrophobicContact CD1-CG 4.11Å; F32-L36 HydrophobicContact CE1-CD1 3.23Å; F32-L36 HydrophobicContact CE1-CD2 4.35Å; F32-L36 HydrophobicContact CE1-CG 3.81Å; F32-L36 HydrophobicContact CG-CD1 4.38Å; F32-L36 HydrophobicContact CZ-CD1 3.92Å; F32-L36 HydrophobicContact CZ-CD2 4.24Å; F32-L36 HydrophobicContact CZ-CG 4Å; F32-L36 WeakPolarHBondContact O-CB 3.27Å; F32-L36 WeakPolarHBondContact O-CG 3.35Å; F32-L36 PolarHBondContact O-N 2.77Å; D34-L36 VanDerWaalsContact C-N 3.33Å; D34-L36 PolarHBondContact O-N 2.98Å; L36-L39 PolarHBondContact O-N 3.23Å; L36-E40 WeakPolarHBondContact O-CB 3.31Å; L36-E40 WeakPolarHBondContact O-CG 3.31Å; L36-E40 PolarHBondContact O-N 3.18Å
37K82.6Confident77.8Confident126 Ų126101.8 Ų101.855%0.54851%0.507SS..Hα-helixtrans-64.5-43.3175.2-70.2166.3-157.3158.10111.3D33 D34 M35 L39 E40 S41D33-K37 VanDerWaalsContact O-CG 3.27Å; D33-K37 WeakPolarHBondContact O-CG 3.37Å; D33-K37 PolarHBondContact O-N 3.18Å; D33-K37 VanDerWaalsContact O-N 3.07Å; D34-K37 PolarHBondContact O-N 3.31Å; D34-K37 IonicContact OD1-NZ 2.77Å; D34-K37 PolarHBondContact OD1-NZ 3.38Å; M35-K37 VanDerWaalsContact C-N 3.35Å; M35-K37 PolarHBondContact O-N 3.44Å; K37-L39 VanDerWaalsContact C-N 3.34Å; K37-E40 PolarHBondContact O-N 2.83Å; K37-S41 WeakPolarHBondContact O-CB 3.41Å; K37-S41 PolarHBondContact O-N 3.13Å; K37-S41 PolarHBondContact O-OG 3.22Å
38E83.1Confident78.2Confident136 Ų13697.3 Ų97.364%0.63649%0.493SS*.Hα-helixtrans-60.3-46.1174.6-73.2-179-176.400110.8D34 M35 S41 H42D34-E38 PolarHBondContact O-N 3.49Å; M35-E38 PolarHBondContact O-N 3.07Å; E38-S41 PolarHBondContact O-N 2.67Å; E38-S41 PolarHBondContact O-OG 3.3Å; E38-H42 PolarHBondContact O-N 2.96Å
39L84.3Confident78.2Confident75 Ų7592.4 Ų92.439%0.39347%0.472SS..Hα-helixtrans-59.9-48.9176.3-166.693000111.4M35 L36 K37 S41 H42 F45M35-L39 WeakPolarHBondContact O-CB 3.39Å; M35-L39 PolarHBondContact O-N 2.86Å; L36-L39 PolarHBondContact O-N 3.23Å; K37-L39 VanDerWaalsContact C-N 3.34Å; L39-S41 PolarHBondContact O-N 3.39Å; L39-H42 VanDerWaalsContact O-CB 3.31Å; L39-H42 WeakPolarHBondContact O-CB 3.43Å; L39-H42 PolarHBondContact O-N 3.38Å; L39-H42 VanDerWaalsContact O-N 3.13Å; L39-F45 HydrophobicContact CD1-CD2 3.96Å; L39-F45 HydrophobicContact CD1-CE2 3.73Å; L39-F45 HydrophobicContact CD1-CZ 4.38Å; L39-F45 HydrophobicContact CD2-CD2 4.44Å; L39-F45 HydrophobicContact CG-CD2 3.71Å; L39-F45 HydrophobicContact CG-CE2 4.02Å; L39-F45 HydrophobicContact CG-CG 4.22Å; L39-F45 WeakPolarHBondContact O-CB 3.32Å; L39-F45 WeakPolarHBondContact O-CD2 3.36Å
40E82Confident78.1Confident91 Ų9189.7 Ų89.743%0.42546%0.455SS..Hα-helixtrans-65.3-24.3179.2-74.8-175171.700112.9L36 K37L36-E40 WeakPolarHBondContact O-CB 3.31Å; L36-E40 WeakPolarHBondContact O-CG 3.31Å; L36-E40 PolarHBondContact O-N 3.18Å; K37-E40 PolarHBondContact O-N 2.83Å
41S80.8Confident77.8Confident80 Ų8090.2 Ų90.256%0.55947%0.465SS*.Hα-helixtrans-81.3-18.6174.772.90000114.1K37 E38 L39K37-S41 WeakPolarHBondContact O-CB 3.41Å; K37-S41 PolarHBondContact O-N 3.13Å; K37-S41 PolarHBondContact O-OG 3.22Å; E38-S41 PolarHBondContact O-N 2.67Å; E38-S41 PolarHBondContact O-OG 3.3Å; L39-S41 PolarHBondContact O-N 3.39Å
42H80.4Confident77.3Confident98 Ų9894.8 Ų94.845%0.45449%0.486SS..SBendtrans-67.1137.2177.3-171.7-85.2000110.4E38 L39 A44 F45 M46E38-H42 PolarHBondContact O-N 2.96Å; L39-H42 VanDerWaalsContact O-CB 3.31Å; L39-H42 WeakPolarHBondContact O-CB 3.43Å; L39-H42 PolarHBondContact O-N 3.38Å; L39-H42 VanDerWaalsContact O-N 3.13Å; H42-A44 VanDerWaalsContact ND1-CB 3.31Å; H42-A44 WeakPolarHBondContact ND1-CB 3.4Å; H42-A44 PolarHBondContact ND1-N 3.44Å; H42-A44 PolarHBondContact O-N 3.01Å; H42-F45 HydrophobicContact CB-CD2 4.09Å; H42-F45 PolarHBondContact O-N 3.14Å; H42-M46 PolarHBondContact O-N 2.89Å; H42-M46 VanDerWaalsContact O-N 3.14Å
43P74.9Confident76.4Confident58 Ų5892.8 Ų92.838%0.37750%0.498SS..THydrogen-bonded Turntrans-57.3-27.5-174.521.3-34.4000113.7F45 V59 L62P43-F45 VanDerWaalsContact C-N 3.32Å; P43-F45 PolarHBondContact O-N 2.82Å; P43-V59 HydrophobicContact CB-CG2 3.85Å; P43-L62 HydrophobicContact CB-CD1 4.24Å
44A73.7Confident75.6Confident53 Ų5394.8 Ų94.844%0.43851%0.509SS..THydrogen-bonded Turntrans-69.7-21.8176.100000114.7H42H42-A44 VanDerWaalsContact ND1-CB 3.31Å; H42-A44 WeakPolarHBondContact ND1-CB 3.4Å; H42-A44 PolarHBondContact ND1-N 3.44Å; H42-A44 PolarHBondContact O-N 3.01Å
45F77Confident74.8Confident113 Ų11393.3 Ų93.350%0.49650%0.502SS..THydrogen-bonded Turntrans-122.95-175.4-51-70.3000113.6L39 H42 P43 Q47L39-F45 HydrophobicContact CD1-CD2 3.96Å; L39-F45 HydrophobicContact CD1-CE2 3.73Å; L39-F45 HydrophobicContact CD1-CZ 4.38Å; L39-F45 HydrophobicContact CD2-CD2 4.44Å; L39-F45 HydrophobicContact CG-CD2 3.71Å; L39-F45 HydrophobicContact CG-CE2 4.02Å; L39-F45 HydrophobicContact CG-CG 4.22Å; L39-F45 WeakPolarHBondContact O-CB 3.32Å; L39-F45 WeakPolarHBondContact O-CD2 3.36Å; H42-F45 HydrophobicContact CB-CD2 4.09Å; H42-F45 PolarHBondContact O-N 3.14Å; P43-F45 VanDerWaalsContact C-N 3.32Å; P43-F45 PolarHBondContact O-N 2.82Å; F45-Q47 PolarHBondContact O-N 2.91Å
46M74.7Confident74.4Confident73 Ų7392.5 Ų92.536%0.3650%0.503SS..  trans-61120.1-178.3-172.2179.3-74.900111.4H42 K48H42-M46 PolarHBondContact O-N 2.89Å; H42-M46 VanDerWaalsContact O-N 3.14Å; M46-K48 WeakPolarHBondContact CG-O 3.44Å
47Q70.7Confident74.1Confident102 Ų10296.2 Ų96.248%0.47752%0.523SS..SBendtrans-80.4-24.9-179.4-69.7-177.813.900113.7F45F45-Q47 PolarHBondContact O-N 2.91Å
48K72.5Confident73.8Confident141 Ų14196.1 Ų96.161%0.61353%0.525SS*.SBendtrans-135.5127.2-178.1-64.7-178.2-178.6178.30108.8M46M46-K48 WeakPolarHBondContact CG-O 3.44Å
49L70.1Confident73.4Confident67 Ų6790.6 Ų90.635%0.35150%0.5SS..  trans-66142.1170.3-68.2160.7000109.1D51 V55 V59L49-D51 PolarHBondContact O-N 3.07Å; L49-V55 HydrophobicContact CB-CG2 4.42Å; L49-V55 HydrophobicContact CD2-CG1 3.73Å; L49-V55 HydrophobicContact CD2-CG2 4.19Å; L49-V59 HydrophobicContact CD2-CG1 3.34Å
50P68.8Low73Confident59 Ų5990.8 Ų90.838%0.38350%0.501SS..  trans-59130.916923.4-30.3000109.4D52P50-D52 PolarHBondContact O-N 2.95Å; P50-D52 VanDerWaalsContact O-N 3.15Å
51D66.9Low72.7Confident168 Ų16889.2 Ų89.290%0.89850%0.504SS*.THydrogen-bonded Turntrans-69.6-5179.2-79.4-28.5000112.4L49 G53L49-D51 PolarHBondContact O-N 3.07Å; D51-G53 PolarHBondContact O-N 3.41Å
52D65.9Low72.3Confident144 Ų14488.7 Ų88.777%0.7749%0.494SS*.THydrogen-bonded Turntrans-72.98.6-173.1-60.2-35.2000114.4P50 N54P50-D52 PolarHBondContact O-N 2.95Å; P50-D52 VanDerWaalsContact O-N 3.15Å; D52-N54 PolarHBondContact O-N 3.19Å
53G64.3Low71.8Confident74 Ų7486.5 Ų86.576%0.76348%0.484SS*.SBendtrans67.5-9.217700000115.4D51 V55D51-G53 PolarHBondContact O-N 3.41Å; G53-V55 PolarHBondContact O-N 2.97Å
54N67.6Low71.7Confident143 Ų14387.1 Ų87.177%0.76549%0.49SS*.  trans-94.562.7178.3-162.118.7000110.5D52D52-N54 PolarHBondContact O-N 3.19Å
55V66.5Low71.7Confident36 Ų3691.3 Ų91.322%0.21851%0.505CS..  trans-84.2119172.5-177.40000107.4L49 G53 V59 L60L49-V55 HydrophobicContact CB-CG2 4.42Å; L49-V55 HydrophobicContact CD2-CG1 3.73Å; L49-V55 HydrophobicContact CD2-CG2 4.19Å; G53-V55 PolarHBondContact O-N 2.97Å; V55-V59 HydrophobicContact CG1-CB 3.8Å; V55-V59 HydrophobicContact CG1-CG1 3.8Å; V55-L60 HydrophobicContact CG1-CD2 4.14Å; V55-L60 HydrophobicContact CG1-CG 3.9Å
56S71.3Confident71.3Confident52 Ų5291.7 Ų91.736%0.36451%0.506SS..  trans-67.5149.1-179.483.20000111.3E58 V59 L60S56-E58 WeakPolarHBondContact CB-OE2 3.47Å; S56-E58 PolarHBondContact O-N 3.07Å; S56-E58 VanDerWaalsContact O-N 3.1Å; S56-E58 PolarHBondContact OG-OE2 2.63Å; S56-V59 WeakPolarHBondContact O-CB 3.37Å; S56-V59 PolarHBondContact O-N 3.36Å; S56-L60 PolarHBondContact O-N 2.85Å
57D77.7Confident70.8Confident132 Ų13289.8 Ų89.871%0.70650%0.495SS*.Hα-helixtrans-56.4-30.3-176.7-72.2-17.4000112L60 A61D57-L60 PolarHBondContact O-N 3.34Å; D57-A61 WeakPolarHBondContact O-CB 3.2Å; D57-A61 PolarHBondContact O-N 3.45Å
58E77.7Confident70.1Confident123 Ų12390.1 Ų90.158%0.57550%0.5SS*.Hα-helixtrans-66.2-38.7176.1-53.879.1-170.300111.9S56 A61 L62S56-E58 WeakPolarHBondContact CB-OE2 3.47Å; S56-E58 PolarHBondContact O-N 3.07Å; S56-E58 VanDerWaalsContact O-N 3.1Å; S56-E58 PolarHBondContact OG-OE2 2.63Å; E58-A61 PolarHBondContact O-N 3.18Å; E58-L62 WeakPolarHBondContact O-CB 3.39Å; E58-L62 WeakPolarHBondContact O-CG 3.34Å; E58-L62 PolarHBondContact O-N 3.31Å
59V74.5Confident69.3Low20 Ų2092.2 Ų92.212%0.12151%0.512CS..Hα-helixtrans-69.9-37.7178.9178.90000110.5P43 L49 V55 S56 L62 Q63P43-V59 HydrophobicContact CB-CG2 3.85Å; L49-V59 HydrophobicContact CD2-CG1 3.34Å; V55-V59 HydrophobicContact CG1-CB 3.8Å; V55-V59 HydrophobicContact CG1-CG1 3.8Å; S56-V59 WeakPolarHBondContact O-CB 3.37Å; S56-V59 PolarHBondContact O-N 3.36Å; V59-L62 PolarHBondContact O-N 2.98Å; V59-Q63 WeakPolarHBondContact O-CB 3.43Å; V59-Q63 PolarHBondContact O-N 3.38Å
60L74.2Confident68.5Low79 Ų7996.6 Ų96.641%0.41454%0.536SS..Hα-helixtrans-65.4-43.5172.2-71.5172.9000111.4V55 S56 D57 L62 Q63 S64V55-L60 HydrophobicContact CG1-CD2 4.14Å; V55-L60 HydrophobicContact CG1-CG 3.9Å; S56-L60 PolarHBondContact O-N 2.85Å; D57-L60 PolarHBondContact O-N 3.34Å; L60-L62 VanDerWaalsContact C-N 3.34Å; L60-L62 PolarHBondContact O-N 3.24Å; L60-Q63 WeakPolarHBondContact O-CB 3.05Å; L60-Q63 PolarHBondContact O-N 3.46Å; L60-S64 PolarHBondContact O-N 3.04Å; L60-S64 PolarHBondContact O-OG 2.91Å; L60-S64 VanDerWaalsContact O-OG 3.11Å
61A76.8Confident68.1Low59 Ų5996.9 Ų96.949%0.48853%0.532SS..Hα-helixtrans-61.4-42175.700000111.9D57 E58 Q63 S64 L65D57-A61 WeakPolarHBondContact O-CB 3.2Å; D57-A61 PolarHBondContact O-N 3.45Å; E58-A61 PolarHBondContact O-N 3.18Å; A61-Q63 VanDerWaalsContact C-N 3.34Å; A61-S64 PolarHBondContact O-N 3.38Å; A61-L65 WeakPolarHBondContact O-CB 3.37Å; A61-L65 PolarHBondContact O-N 2.89Å
62L72.6Confident68.3Low68 Ų6891.2 Ų91.236%0.35650%0.504SS..Hα-helixtrans-64.3-38.6174.1-74.2168.4000111.9P43 E58 V59 L60 L65 K66P43-L62 HydrophobicContact CB-CD1 4.24Å; E58-L62 WeakPolarHBondContact O-CB 3.39Å; E58-L62 WeakPolarHBondContact O-CG 3.34Å; E58-L62 PolarHBondContact O-N 3.31Å; V59-L62 PolarHBondContact O-N 2.98Å; L60-L62 VanDerWaalsContact C-N 3.34Å; L60-L62 PolarHBondContact O-N 3.24Å; L62-L65 WeakPolarHBondContact O-CB 3.46Å; L62-L65 PolarHBondContact O-N 3.27Å; L62-K66 PolarHBondContact O-N 3.12Å
63Q70.1Confident68.8Low52 Ų5288 Ų8824%0.24349%0.485CS..Hα-helixtrans-65.4-44.6175.7-174.3174.59.500111.2V59 L60 A61 L65 K66 Y67V59-Q63 WeakPolarHBondContact O-CB 3.43Å; V59-Q63 PolarHBondContact O-N 3.38Å; L60-Q63 WeakPolarHBondContact O-CB 3.05Å; L60-Q63 PolarHBondContact O-N 3.46Å; A61-Q63 VanDerWaalsContact C-N 3.34Å; Q63-L65 PolarHBondContact O-N 2.97Å; Q63-K66 PolarHBondContact O-N 2.69Å; Q63-K66 VanDerWaalsContact O-N 3.12Å; Q63-Y67 HydrophobicContact CG-CD2 3.77Å; Q63-Y67 HydrophobicContact CG-CE2 3.85Å; Q63-Y67 WeakPolarHBondContact O-CD2 3.13Å; Q63-Y67 PolarHBondContact O-N 2.71Å; Q63-Y67 VanDerWaalsContact O-N 3.07Å
64S71.6Confident69.6Low71 Ų7184.5 Ų84.550%0.49745%0.449SS..Hα-helixtrans-62.8-30.7173.5-59.40000111.9L60 A61 Y67L60-S64 PolarHBondContact O-N 3.04Å; L60-S64 PolarHBondContact O-OG 2.91Å; L60-S64 VanDerWaalsContact O-OG 3.11Å; A61-S64 PolarHBondContact O-N 3.38Å; S64-Y67 CarbonylContact O-C 3.57Å
65L73.3Confident70.4Confident142 Ų14279.8 Ų79.874%0.74342%0.423SS*.Hα-helixtrans-71.7-32.7173.5-160.678.8000112.5A61 L62 Q63A61-L65 WeakPolarHBondContact O-CB 3.37Å; A61-L65 PolarHBondContact O-N 2.89Å; L62-L65 WeakPolarHBondContact O-CB 3.46Å; L62-L65 PolarHBondContact O-N 3.27Å; Q63-L65 PolarHBondContact O-N 2.97Å
66K68.9Low71.3Confident121 Ų12178.8 Ų78.853%0.52642%0.418SS..Hα-helixtrans-71.9-35176.2-173.8-177.7176.7-160.40111.9L62 Q63 D80L62-K66 PolarHBondContact O-N 3.12Å; Q63-K66 PolarHBondContact O-N 2.69Å; Q63-K66 VanDerWaalsContact O-N 3.12Å; K66-D80 IonicContact NZ-OD2 3.93Å; K66-D80 PolarHBondContact NZ-OD2 3.24Å
67Y63.8Low72.1Confident32 Ų3276.8 Ų76.813%0.12540%0.403CS..SBendtrans-116.599-176.8-55.3-71000109.3Q63 S64 E69 Q73 C76Q63-Y67 HydrophobicContact CG-CD2 3.77Å; Q63-Y67 HydrophobicContact CG-CE2 3.85Å; Q63-Y67 WeakPolarHBondContact O-CD2 3.13Å; Q63-Y67 PolarHBondContact O-N 2.71Å; Q63-Y67 VanDerWaalsContact O-N 3.07Å; S64-Y67 CarbonylContact O-C 3.57Å; Y67-E69 PolarHBondContact O-N 2.83Å; Y67-Q73 HydrophobicContact CD1-CG 4.48Å; Y67-Q73 HydrophobicContact CG-CG 4.24Å; Y67-C76 HydrophobicContact CD1-CB 3.44Å; Y67-C76 VanDerWaalsContact CD1-CB 3.44Å; Y67-C76 HydrophobicContact CE1-CB 3.52Å
68D58Low72.7Confident110 Ų11072.8 Ų72.859%0.58838%0.379SS*.  trans-49.8130.4170.2-63.5-43.6000109.2D70 E71D68-D70 PolarHBondContact O-N 3.5Å; D68-E71 PolarHBondContact O-N 3.49Å
69E55.6Low73.3Confident184 Ų18471.2 Ų71.286%0.8637%0.371SS*.THydrogen-bonded Turntrans-53.4-25.4-175.8-65.9-176.3162.100112.9Y67Y67-E69 PolarHBondContact O-N 2.83Å
70D52.9Low74.1Confident159 Ų15971.5 Ų71.585%0.8537%0.372SS*.THydrogen-bonded Turntrans-84.6-24.5-179.1-64.1-46.2000114.2D68D68-D70 PolarHBondContact O-N 3.5Å
71E60.8Low74.9Confident65 Ų6567.8 Ų67.830%0.30435%0.352SS..SBendtrans-88.2121.3174.1-82.7-151.2165.300109.8D68 Q73 C76 K79D68-E71 PolarHBondContact O-N 3.49Å; E71-Q73 PolarHBondContact O-N 2.86Å; E71-C76 PolarHBondContact OE2-SG 3.09Å; E71-K79 IonicContact OE1-NZ 2.91Å; E71-K79 PolarHBondContact OE1-NZ 2.96Å; E71-K79 IonicContact OE2-NZ 3.04Å; E71-K79 PolarHBondContact OE2-NZ 3.34Å
72P70.8Confident75.7Confident49 Ų4967.7 Ų67.732%0.31834%0.343SS..  trans-55.1125.3173.722.4-34.5000108.6A74 L75P72-A74 CarbonylContact O-C 3.57Å; P72-A74 PolarHBondContact O-N 3.02Å; P72-L75 HydrophobicContact CG-CB 4.2Å; P72-L75 HydrophobicContact CG-CD1 3.53Å; P72-L75 HydrophobicContact CG-CG 3.69Å; P72-L75 WeakPolarHBondContact O-CB 3.48Å; P72-L75 PolarHBondContact O-N 3.49Å
73Q75.4Confident76.7Confident77 Ų7770 Ų7036%0.3635%0.351SS..Hα-helixtrans-45.2-30.1-177.5-66.7177.5-1.800113.2Y67 E71 C76 L77Y67-Q73 HydrophobicContact CD1-CG 4.48Å; Y67-Q73 HydrophobicContact CG-CG 4.24Å; E71-Q73 PolarHBondContact O-N 2.86Å; Q73-C76 PolarHBondContact O-N 3.07Å; Q73-L77 WeakPolarHBondContact O-CG 3.35Å; Q73-L77 PolarHBondContact O-N 3.27Å
74A82.2Confident77.8Confident1 Ų170.4 Ų70.41%0.00835%0.35CS..Hα-helixtrans-66.4-29.1174.700000115.3P72 K78 A100 C105 L110 L114P72-A74 CarbonylContact O-C 3.57Å; P72-A74 PolarHBondContact O-N 3.02Å; A74-K78 WeakPolarHBondContact O-CB 3.48Å; A74-K78 PolarHBondContact O-N 3.17Å; A74-A100 HydrophobicContact CB-CB 4.1Å; A74-C105 WeakPolarHBondContact CB-SG 3.39Å; A74-L110 HydrophobicContact CB-CD2 4.01Å; A74-L114 HydrophobicContact CB-CD1 4.42Å
75L84.5Confident78.8Confident43 Ų4369.9 Ų69.923%0.22534%0.339CS..Hα-helixtrans-67.5-42.1171.4-79.6178.8000111.1P72 K78 K79 L110P72-L75 HydrophobicContact CG-CB 4.2Å; P72-L75 HydrophobicContact CG-CD1 3.53Å; P72-L75 HydrophobicContact CG-CG 3.69Å; P72-L75 WeakPolarHBondContact O-CB 3.48Å; P72-L75 PolarHBondContact O-N 3.49Å; L75-K78 HydrophobicContact CD2-CD 4.39Å; L75-K78 WeakPolarHBondContact O-CB 3.46Å; L75-K78 PolarHBondContact O-N 3.45Å; L75-K79 WeakPolarHBondContact O-CG 3.38Å; L75-K79 PolarHBondContact O-N 3.31Å; L75-L110 HydrophobicContact CD2-CD1 3.59Å; L75-L110 HydrophobicContact CD2-CD2 4.18Å; L75-L110 HydrophobicContact CG-CD1 4.38Å; L75-L110 HydrophobicContact CG-CD2 4.09Å
76C84.3Confident79.8Confident16 Ų1670.4 Ų70.411%0.10834%0.338CS..Hα-helixtrans-63.1-47.3174.1-56.90000110.7Y67 E71 Q73 K78 K79 D80Y67-C76 HydrophobicContact CD1-CB 3.44Å; Y67-C76 VanDerWaalsContact CD1-CB 3.44Å; Y67-C76 HydrophobicContact CE1-CB 3.52Å; E71-C76 PolarHBondContact OE2-SG 3.09Å; Q73-C76 PolarHBondContact O-N 3.07Å; C76-K78 VanDerWaalsContact C-N 3.29Å; C76-K78 PolarHBondContact O-N 3.12Å; C76-K79 WeakPolarHBondContact O-CA 3.38Å; C76-K79 WeakPolarHBondContact O-CB 3.43Å; C76-K79 PolarHBondContact O-N 3.08Å; C76-D80 PolarHBondContact O-N 2.93Å
77L88.2Confident81Confident10 Ų1069.8 Ų69.85%0.05234%0.339CS..Hα-helixtrans-61.9-34.8174.7-71164000112.6Q73 D80 G81 E99 A100 K103Q73-L77 WeakPolarHBondContact O-CG 3.35Å; Q73-L77 PolarHBondContact O-N 3.27Å; L77-D80 PolarHBondContact O-N 3.18Å; L77-G81 PolarHBondContact O-N 2.92Å; L77-E99 HydrophobicContact CD1-CB 4.23Å; L77-E99 HydrophobicContact CD2-CB 4.4Å; L77-A100 HydrophobicContact CB-CB 3.68Å; L77-A100 HydrophobicContact CD1-CB 4.21Å; L77-K103 HydrophobicContact CD1-CG 4.17Å
78K90.4Very high82.3Confident47 Ų4775.8 Ų75.820%0.20437%0.366CS..Hα-helixtrans-63.6-43.8171.2-176.9-159.873-174.60111.1A74 L75 C76 G81 N82 L110 V113 L114A74-K78 WeakPolarHBondContact O-CB 3.48Å; A74-K78 PolarHBondContact O-N 3.17Å; L75-K78 HydrophobicContact CD2-CD 4.39Å; L75-K78 WeakPolarHBondContact O-CB 3.46Å; L75-K78 PolarHBondContact O-N 3.45Å; C76-K78 VanDerWaalsContact C-N 3.29Å; C76-K78 PolarHBondContact O-N 3.12Å; K78-G81 PolarHBondContact O-N 3.11Å; K78-N82 WeakPolarHBondContact O-CB 3.49Å; K78-N82 PolarHBondContact O-N 3.17Å; K78-N82 PolarHBondContact O-OD1 3.28Å; K78-L110 HydrophobicContact CD-CD1 4.12Å; K78-V113 HydrophobicContact CD-CG1 4.35Å; K78-L114 HydrophobicContact CB-CD2 3.84Å; K78-L114 HydrophobicContact CG-CD2 4.05Å
79K90.5Very high84Confident91 Ų9174.1 Ų74.140%0.39636%0.355SS..Hα-helixtrans-63-45177.3-71.9170.6-176.9168.80110.2E71 L75 C76 N82 K83E71-K79 IonicContact OE1-NZ 2.91Å; E71-K79 PolarHBondContact OE1-NZ 2.96Å; E71-K79 IonicContact OE2-NZ 3.04Å; E71-K79 PolarHBondContact OE2-NZ 3.34Å; L75-K79 WeakPolarHBondContact O-CG 3.38Å; L75-K79 PolarHBondContact O-N 3.31Å; C76-K79 WeakPolarHBondContact O-CA 3.38Å; C76-K79 WeakPolarHBondContact O-CB 3.43Å; C76-K79 PolarHBondContact O-N 3.08Å; K79-N82 WeakPolarHBondContact O-CB 3.32Å; K79-N82 PolarHBondContact O-N 3.24Å; K79-K83 WeakPolarHBondContact O-CG 3.37Å; K79-K83 PolarHBondContact O-N 3.16Å
80D90.4Very high85.7Confident26 Ų2667.5 Ų67.514%0.13932%0.322CS..Hα-helixtrans-64.2-45.1177-72.6-12.9000111.5K66 C76 L77 N82 K83 W84K66-D80 IonicContact NZ-OD2 3.93Å; K66-D80 PolarHBondContact NZ-OD2 3.24Å; C76-D80 PolarHBondContact O-N 2.93Å; L77-D80 PolarHBondContact O-N 3.18Å; D80-N82 VanDerWaalsContact C-N 3.3Å; D80-N82 PolarHBondContact O-N 2.89Å; D80-K83 WeakPolarHBondContact O-CB 3.48Å; D80-K83 PolarHBondContact O-N 3.1Å; D80-K83 VanDerWaalsContact O-N 3.09Å; D80-K83 IonicContact OD1-NZ 2.96Å; D80-K83 PolarHBondContact OD1-NZ 3.42Å; D80-W84 PolarHBondContact O-N 2.94Å
81G92.5Very high87.7Confident0 Ų061.8 Ų61.80%030%0.301CS..Hα-helixtrans-59.5-36.4173.200000113.7L77 K78 W84 F85 A93 Y97L77-G81 PolarHBondContact O-N 2.92Å; K78-G81 PolarHBondContact O-N 3.11Å; G81-W84 PolarHBondContact O-N 3.47Å; G81-F85 WeakPolarHBondContact O-CB 3.21Å; G81-F85 PolarHBondContact O-N 3.38Å; G81-A93 WeakPolarHBondContact O-CB 3.26Å; G81-Y97 PolarHBondContact O-OH 2.86Å
82N92.5Very high89.1Confident57 Ų5763.5 Ų63.531%0.30531%0.305SS..Hα-helixtrans-66.2-41.3174.2-73.6-10000111.4K78 K79 D80 W84 F85 E86 Y97 N117K78-N82 WeakPolarHBondContact O-CB 3.49Å; K78-N82 PolarHBondContact O-N 3.17Å; K78-N82 PolarHBondContact O-OD1 3.28Å; K79-N82 WeakPolarHBondContact O-CB 3.32Å; K79-N82 PolarHBondContact O-N 3.24Å; D80-N82 VanDerWaalsContact C-N 3.3Å; D80-N82 PolarHBondContact O-N 2.89Å; N82-W84 PolarHBondContact O-N 3.34Å; N82-F85 WeakPolarHBondContact O-CB 3.38Å; N82-F85 PolarHBondContact O-N 3.12Å; N82-F85 VanDerWaalsContact O-N 3.16Å; N82-E86 PolarHBondContact O-N 2.89Å; N82-Y97 PolarHBondContact N-OH 2.88Å; N82-Y97 PolarHBondContact OD1-OH 3.07Å; N82-N117 PolarHBondContact OD1-ND2 3.44Å; N82-N117 VanDerWaalsContact OD1-ND2 3.16Å
83K93.8Very high90.2Very high117 Ų11761.2 Ų61.251%0.50929%0.289SS..Hα-helixtrans-59.6-46.8174.5-65169.8-169159.30110.7K79 D80 F85 E86 L87K79-K83 WeakPolarHBondContact O-CG 3.37Å; K79-K83 PolarHBondContact O-N 3.16Å; D80-K83 WeakPolarHBondContact O-CB 3.48Å; D80-K83 PolarHBondContact O-N 3.1Å; D80-K83 VanDerWaalsContact O-N 3.09Å; D80-K83 IonicContact OD1-NZ 2.96Å; D80-K83 PolarHBondContact OD1-NZ 3.42Å; K83-F85 VanDerWaalsContact C-N 3.26Å; K83-F85 PolarHBondContact O-N 2.96Å; K83-E86 PolarHBondContact O-N 3.29Å; K83-L87 WeakPolarHBondContact O-CG 3.38Å; K83-L87 PolarHBondContact O-N 3.04Å
84W92.9Very high91.1Very high60 Ų6058.9 Ų58.923%0.22728%0.279CS..Hα-helixtrans-63.2-33.4176.2-66.6118.9000113D80 G81 N82 L87 K88 Q89 R92 A93 D96D80-W84 PolarHBondContact O-N 2.94Å; G81-W84 PolarHBondContact O-N 3.47Å; N82-W84 PolarHBondContact O-N 3.34Å; W84-L87 HydrophobicContact CE3-CD1 3.85Å; W84-L87 HydrophobicContact CZ3-CD1 4Å; W84-L87 CarbonylContact O-C 3.6Å; W84-L87 PolarHBondContact O-N 3.34Å; W84-K88 PolarHBondContact O-N 2.82Å; W84-Q89 HydrophobicContact CE3-CB 4.1Å; W84-Q89 HydrophobicContact CE3-CG 4.45Å; W84-Q89 CarbonylContact O-C 3.38Å; W84-Q89 PolarHBondContact O-N 3.03Å; W84-R92 HydrophobicContact CB-CB 4.31Å; W84-R92 HydrophobicContact CD2-CB 3.91Å; W84-R92 HydrophobicContact CE3-CB 4.28Å; W84-R92 HydrophobicContact CG-CB 3.92Å; W84-A93 HydrophobicContact CB-CB 3.81Å; W84-D96 PolarHBondContact NE1-OD2 2.97Å
85F93.3Very high91.6Very high60 Ų6063.5 Ų63.526%0.26330%0.296SS..Hα-helixtrans-65.7-40.8175-172.4-89.9000111.8G81 N82 K83 K88 Y90 A93 A120 A121 R124G81-F85 WeakPolarHBondContact O-CB 3.21Å; G81-F85 PolarHBondContact O-N 3.38Å; N82-F85 WeakPolarHBondContact O-CB 3.38Å; N82-F85 PolarHBondContact O-N 3.12Å; N82-F85 VanDerWaalsContact O-N 3.16Å; K83-F85 VanDerWaalsContact C-N 3.26Å; K83-F85 PolarHBondContact O-N 2.96Å; F85-K88 PolarHBondContact O-N 2.97Å; F85-Y90 AromaticContact CD2-CD1 3.79Å; F85-Y90 HydrophobicContact CD2-CD1 3.79Å; F85-Y90 AromaticContact CD2-CE1 3.97Å; F85-Y90 HydrophobicContact CD2-CE1 3.97Å; F85-Y90 AromaticContact CE2-CD1 3.94Å; F85-Y90 HydrophobicContact CE2-CD1 3.94Å; F85-Y90 AromaticContact CE2-CE1 3.88Å; F85-Y90 HydrophobicContact CE2-CE1 3.88Å; F85-Y90 HydrophobicContact CG-CE1 4.49Å; F85-Y90 HydrophobicContact CZ-CE1 4.33Å; F85-A93 HydrophobicContact CB-CB 4.39Å; F85-A120 HydrophobicContact CE2-CB 4.1Å; F85-A120 HydrophobicContact CZ-CB 4.28Å; F85-A121 HydrophobicContact CD2-CB 4.14Å; F85-A121 HydrophobicContact CE2-CB 4.34Å; F85-R124 HydrophobicContact CE2-CG 4.28Å; F85-R124 HydrophobicContact CZ-CG 4.42Å
86E93.8Very high92Very high154 Ų15462.5 Ų62.572%0.7229%0.291SS*.Hα-helixtrans-65.9-39.3173.9-71.3174.6-172.900112N82 K83 K88N82-E86 PolarHBondContact O-N 2.89Å; K83-E86 PolarHBondContact O-N 3.29Å; E86-K88 PolarHBondContact O-N 3.45Å
87L93.7Very high92.4Very high108 Ų10861.8 Ų61.857%0.56529%0.287SS*.THydrogen-bonded Turntrans-70.34.3173.3-65.6174.6000113.7K83 W84 Q89K83-L87 WeakPolarHBondContact O-CG 3.38Å; K83-L87 PolarHBondContact O-N 3.04Å; W84-L87 HydrophobicContact CE3-CD1 3.85Å; W84-L87 HydrophobicContact CZ3-CD1 4Å; W84-L87 CarbonylContact O-C 3.6Å; W84-L87 PolarHBondContact O-N 3.34Å; L87-Q89 HydrophobicContact CB-CG 4.35Å; L87-Q89 PolarHBondContact O-N 3.4Å
88K91.7Very high92.6Very high157 Ų15763.3 Ų63.368%0.68330%0.296SS*.THydrogen-bonded Turntrans58.814.3-176.3-54.9176.2-178.21740114W84 F85 E86 Y90W84-K88 PolarHBondContact O-N 2.82Å; F85-K88 PolarHBondContact O-N 2.97Å; E86-K88 PolarHBondContact O-N 3.45Å; K88-Y90 VanDerWaalsContact C-N 3.29Å; K88-Y90 HydrophobicContact CB-CE2 4.33Å; K88-Y90 WeakPolarHBondContact O-CD2 3.4Å; K88-Y90 WeakPolarHBondContact O-CE2 3.42Å; K88-Y90 PolarHBondContact O-N 3.37Å; K88-Y90 VanDerWaalsContact O-N 3.12Å
89Q93Very high92.6Very high75 Ų7564.2 Ų64.235%0.3530%0.301SS..  trans-8968176.7-64.1-168.86.700109.8W84 L87 G91 R92 A93W84-Q89 HydrophobicContact CE3-CB 4.1Å; W84-Q89 HydrophobicContact CE3-CG 4.45Å; W84-Q89 CarbonylContact O-C 3.38Å; W84-Q89 PolarHBondContact O-N 3.03Å; L87-Q89 HydrophobicContact CB-CG 4.35Å; L87-Q89 PolarHBondContact O-N 3.4Å; Q89-G91 VanDerWaalsContact C-N 3.26Å; Q89-G91 PolarHBondContact O-N 3.26Å; Q89-R92 HydrophobicContact CB-CB 4.44Å; Q89-R92 PolarHBondContact O-N 3.16Å; Q89-R92 VanDerWaalsContact O-N 3.17Å; Q89-A93 PolarHBondContact O-N 2.97Å; Q89-A93 VanDerWaalsContact O-N 3.08Å
90Y93.3Very high92.5Very high46 Ų4659.9 Ų59.918%0.1828%0.282CS..Hα-helixtrans-61.7-32.4-173.8-51-61.8000113.4F85 K88 A93 I94 R124 L125F85-Y90 AromaticContact CD2-CD1 3.79Å; F85-Y90 HydrophobicContact CD2-CD1 3.79Å; F85-Y90 AromaticContact CD2-CE1 3.97Å; F85-Y90 HydrophobicContact CD2-CE1 3.97Å; F85-Y90 AromaticContact CE2-CD1 3.94Å; F85-Y90 HydrophobicContact CE2-CD1 3.94Å; F85-Y90 AromaticContact CE2-CE1 3.88Å; F85-Y90 HydrophobicContact CE2-CE1 3.88Å; F85-Y90 HydrophobicContact CG-CE1 4.49Å; F85-Y90 HydrophobicContact CZ-CE1 4.33Å; K88-Y90 VanDerWaalsContact C-N 3.29Å; K88-Y90 HydrophobicContact CB-CE2 4.33Å; K88-Y90 WeakPolarHBondContact O-CD2 3.4Å; K88-Y90 WeakPolarHBondContact O-CE2 3.42Å; K88-Y90 PolarHBondContact O-N 3.37Å; K88-Y90 VanDerWaalsContact O-N 3.12Å; Y90-A93 PolarHBondContact O-N 3.4Å; Y90-I94 WeakPolarHBondContact O-CD1 2.98Å; Y90-I94 VanDerWaalsContact O-CG1 3.26Å; Y90-I94 WeakPolarHBondContact O-CG1 3.46Å; Y90-I94 PolarHBondContact O-N 3.46Å; Y90-R124 HydrophobicContact CD1-CB 3.74Å; Y90-R124 HydrophobicContact CD1-CG 4.09Å; Y90-R124 HydrophobicContact CD2-CB 3.61Å; Y90-R124 HydrophobicContact CE1-CB 3.67Å; Y90-R124 HydrophobicContact CE1-CG 3.65Å; Y90-R124 HydrophobicContact CE2-CB 3.55Å; Y90-R124 HydrophobicContact CE2-CG 4.23Å; Y90-R124 HydrophobicContact CG-CB 3.71Å; Y90-L125 HydrophobicContact CD2-CD2 4.27Å
91G92.9Very high92.4Very high39 Ų3959.6 Ų59.640%0.40228%0.281SS..Hα-helixtrans-62.7-41.2176.800000113Q89 R95Q89-G91 VanDerWaalsContact C-N 3.26Å; Q89-G91 PolarHBondContact O-N 3.26Å; G91-R95 PolarHBondContact O-N 3.02Å
92R91.2Very high92.1Very high101 Ų10167.1 Ų67.138%0.38131%0.313SS..Hα-helixtrans-70.7-42.8175.1-62.8-166.6-172.4-180-7111W84 Q89 I94 R95 D96W84-R92 HydrophobicContact CB-CB 4.31Å; W84-R92 HydrophobicContact CD2-CB 3.91Å; W84-R92 HydrophobicContact CE3-CB 4.28Å; W84-R92 HydrophobicContact CG-CB 3.92Å; Q89-R92 HydrophobicContact CB-CB 4.44Å; Q89-R92 PolarHBondContact O-N 3.16Å; Q89-R92 VanDerWaalsContact O-N 3.17Å; R92-I94 VanDerWaalsContact C-N 3.28Å; R92-I94 PolarHBondContact O-N 3.2Å; R92-R95 WeakPolarHBondContact O-CB 3.5Å; R92-R95 PolarHBondContact O-N 2.86Å; R92-D96 PolarHBondContact O-N 3.19Å; R92-D96 VanDerWaalsContact O-N 3.12Å
93A94Very high91.6Very high0 Ų069.6 Ų69.60%032%0.322CS..Hα-helixtrans-55.4-42.3175.600000112.6G81 W84 F85 Q89 Y90 R95 D96 Y97G81-A93 WeakPolarHBondContact O-CB 3.26Å; W84-A93 HydrophobicContact CB-CB 3.81Å; F85-A93 HydrophobicContact CB-CB 4.39Å; Q89-A93 PolarHBondContact O-N 2.97Å; Q89-A93 VanDerWaalsContact O-N 3.08Å; Y90-A93 PolarHBondContact O-N 3.4Å; A93-R95 VanDerWaalsContact C-N 3.33Å; A93-R95 PolarHBondContact O-N 2.98Å; A93-D96 PolarHBondContact O-N 3.16Å; A93-Y97 HydrophobicContact CB-CD2 4.47Å; A93-Y97 HydrophobicContact CB-CE2 3.95Å; A93-Y97 WeakPolarHBondContact O-CD2 3.42Å; A93-Y97 VanDerWaalsContact O-CG 3.26Å; A93-Y97 PolarHBondContact O-N 3.41Å
94I94.3Very high90.2Very high29 Ų2972 Ų7215%0.14933%0.334CS..Hα-helixtrans-63.2-38.4177.5-70.4162000111.9Y90 R92 T98 R118 A121 N122 L125Y90-I94 WeakPolarHBondContact O-CD1 2.98Å; Y90-I94 VanDerWaalsContact O-CG1 3.26Å; Y90-I94 WeakPolarHBondContact O-CG1 3.46Å; Y90-I94 PolarHBondContact O-N 3.46Å; R92-I94 VanDerWaalsContact C-N 3.28Å; R92-I94 PolarHBondContact O-N 3.2Å; I94-T98 VanDerWaalsContact O-CB 3.29Å; I94-T98 WeakPolarHBondContact O-CB 3.43Å; I94-T98 PolarHBondContact O-N 2.92Å; I94-T98 PolarHBondContact O-OG1 3.46Å; I94-R118 HydrophobicContact CG1-CG 4.44Å; I94-R118 HydrophobicContact CG2-CG 4.29Å; I94-A121 HydrophobicContact CD1-CB 4.14Å; I94-A121 HydrophobicContact CG1-CB 3.61Å; I94-N122 WeakPolarHBondContact CD1-OD1 3.42Å; I94-L125 HydrophobicContact CD1-CD1 3.39Å; I94-L125 HydrophobicContact CD1-CG 4.39Å
95R93.2Very high89Confident97 Ų9770 Ų7037%0.36633%0.329SS..Hα-helixtrans-61.9-50.9176.6-73.3177.253-156.6-14.4110.4G91 R92 A93 Y97 T98 E99G91-R95 PolarHBondContact O-N 3.02Å; R92-R95 WeakPolarHBondContact O-CB 3.5Å; R92-R95 PolarHBondContact O-N 2.86Å; A93-R95 VanDerWaalsContact C-N 3.33Å; A93-R95 PolarHBondContact O-N 2.98Å; R95-Y97 PolarHBondContact O-N 3.41Å; R95-T98 CarbonylContact O-C 3.57Å; R95-T98 WeakPolarHBondContact O-CA 3.39Å; R95-T98 WeakPolarHBondContact O-CB 3.44Å; R95-T98 PolarHBondContact O-N 3.24Å; R95-E99 PolarHBondContact O-N 3.07Å
96D91.7Very high88.1Confident22 Ų2276.6 Ų76.612%0.11836%0.358CS..Hα-helixtrans-62.1-42.4-179.6-68.69.7000111.8W84 R92 A93 T98 E99 A100W84-D96 PolarHBondContact NE1-OD2 2.97Å; R92-D96 PolarHBondContact O-N 3.19Å; R92-D96 VanDerWaalsContact O-N 3.12Å; A93-D96 PolarHBondContact O-N 3.16Å; D96-T98 VanDerWaalsContact C-N 3.29Å; D96-T98 PolarHBondContact O-N 3.27Å; D96-E99 PolarHBondContact O-N 3.42Å; D96-A100 WeakPolarHBondContact O-CB 3.22Å; D96-A100 PolarHBondContact O-N 2.74Å
97Y93.1Very high87.4Confident2 Ų273.8 Ų73.81%0.00835%0.348CS..Hα-helixtrans-63.7-34.9173.7-63.6-43.1000112.6G81 N82 A93 R95 A100 L101 L114 N117 R118 A121G81-Y97 PolarHBondContact O-OH 2.86Å; N82-Y97 PolarHBondContact N-OH 2.88Å; N82-Y97 PolarHBondContact OD1-OH 3.07Å; A93-Y97 HydrophobicContact CB-CD2 4.47Å; A93-Y97 HydrophobicContact CB-CE2 3.95Å; A93-Y97 WeakPolarHBondContact O-CD2 3.42Å; A93-Y97 VanDerWaalsContact O-CG 3.26Å; A93-Y97 PolarHBondContact O-N 3.41Å; R95-Y97 PolarHBondContact O-N 3.41Å; Y97-A100 PolarHBondContact O-N 3.29Å; Y97-L101 VanDerWaalsContact O-CG 3.29Å; Y97-L101 WeakPolarHBondContact O-CG 3.45Å; Y97-L101 PolarHBondContact O-N 3.43Å; Y97-L114 HydrophobicContact CD1-CD2 4Å; Y97-N117 HydrophobicContact CD1-CB 4.32Å; Y97-N117 HydrophobicContact CD2-CB 4.37Å; Y97-N117 HydrophobicContact CE1-CB 3.81Å; Y97-N117 HydrophobicContact CE2-CB 3.88Å; Y97-R118 HydrophobicContact CD2-CB 4.22Å; Y97-R118 HydrophobicContact CG-CB 4.48Å; Y97-A121 HydrophobicContact CE2-CB 4.41Å
98T92.5Very high86.9Confident41 Ų4173.1 Ų73.125%0.25235%0.345SS..Hα-helixtrans-72.2-38.8178-59.40000111.1I94 R95 D96 L101 K102I94-T98 VanDerWaalsContact O-CB 3.29Å; I94-T98 WeakPolarHBondContact O-CB 3.43Å; I94-T98 PolarHBondContact O-N 2.92Å; I94-T98 PolarHBondContact O-OG1 3.46Å; R95-T98 CarbonylContact O-C 3.57Å; R95-T98 WeakPolarHBondContact O-CA 3.39Å; R95-T98 WeakPolarHBondContact O-CB 3.44Å; R95-T98 PolarHBondContact O-N 3.24Å; D96-T98 VanDerWaalsContact C-N 3.29Å; D96-T98 PolarHBondContact O-N 3.27Å; T98-L101 PolarHBondContact O-N 3.21Å; T98-K102 WeakPolarHBondContact O-CG 3.11Å; T98-K102 PolarHBondContact O-N 2.88Å
99E89.7Confident86.6Confident66 Ų6670.4 Ų70.431%0.30834%0.335SS..Hα-helixtrans-64-41.4171.8-71.6178.7-165.200111.1L77 R95 D96 L101 K102 K103L77-E99 HydrophobicContact CD1-CB 4.23Å; L77-E99 HydrophobicContact CD2-CB 4.4Å; R95-E99 PolarHBondContact O-N 3.07Å; D96-E99 PolarHBondContact O-N 3.42Å; E99-L101 VanDerWaalsContact C-N 3.3Å; E99-L101 PolarHBondContact O-N 3.17Å; E99-K102 WeakPolarHBondContact O-CB 3.47Å; E99-K102 PolarHBondContact O-N 3.49Å; E99-K102 VanDerWaalsContact O-N 3.1Å; E99-K103 WeakPolarHBondContact O-CG 3.4Å; E99-K103 PolarHBondContact O-N 2.9Å; E99-K103 VanDerWaalsContact O-N 3.11Å
100A89.1Confident86.3Confident0 Ų067.5 Ų67.50%032%0.321CS..Hα-helixtrans-58.5-42.6174.400000111.9A74 L77 D96 Y97 K103 L114A74-A100 HydrophobicContact CB-CB 4.1Å; L77-A100 HydrophobicContact CB-CB 3.68Å; L77-A100 HydrophobicContact CD1-CB 4.21Å; D96-A100 WeakPolarHBondContact O-CB 3.22Å; D96-A100 PolarHBondContact O-N 2.74Å; Y97-A100 PolarHBondContact O-N 3.29Å; A100-K103 PolarHBondContact O-N 3Å; A100-L114 HydrophobicContact CB-CD1 3.76Å; A100-L114 HydrophobicContact CB-CD2 3.67Å; A100-L114 HydrophobicContact CB-CG 4.37Å
101L88.4Confident86Confident21 Ų2166 Ų6611%0.1132%0.316CS..Hα-helixtrans-68.1-34.5175.9-72.1169.3000112.5Y97 T98 E99 K103 Q104 L114 Y115Y97-L101 VanDerWaalsContact O-CG 3.29Å; Y97-L101 WeakPolarHBondContact O-CG 3.45Å; Y97-L101 PolarHBondContact O-N 3.43Å; T98-L101 PolarHBondContact O-N 3.21Å; E99-L101 VanDerWaalsContact C-N 3.3Å; E99-L101 PolarHBondContact O-N 3.17Å; L101-K103 VanDerWaalsContact C-N 3.3Å; L101-K103 PolarHBondContact O-N 3.15Å; L101-Q104 PolarHBondContact O-N 3.37Å; L101-L114 HydrophobicContact CD2-CB 3.79Å; L101-L114 HydrophobicContact CD2-CD1 4.01Å; L101-L114 HydrophobicContact CG-CB 4.09Å; L101-L114 HydrophobicContact CG-CD1 4.3Å; L101-Y115 HydrophobicContact CD1-CD1 3.9Å; L101-Y115 HydrophobicContact CD1-CE1 3.63Å; L101-Y115 HydrophobicContact CD1-CE2 4.29Å; L101-Y115 HydrophobicContact CD1-CG 4.35Å; L101-Y115 HydrophobicContact CD2-CD2 3.87Å; L101-Y115 HydrophobicContact CD2-CE1 4.36Å; L101-Y115 HydrophobicContact CD2-CE2 3.48Å; L101-Y115 VanDerWaalsContact CD2-CE2 3.48Å; L101-Y115 HydrophobicContact CD2-CG 4.41Å
102K86.8Confident85.8Confident157 Ų15764.1 Ų64.168%0.68330%0.297SS*.Hα-helixtrans-66.5-29.7176.1-77.2178.9179.5-175.90113T98 E99 Q104T98-K102 WeakPolarHBondContact O-CG 3.11Å; T98-K102 PolarHBondContact O-N 2.88Å; E99-K102 WeakPolarHBondContact O-CB 3.47Å; E99-K102 PolarHBondContact O-N 3.49Å; E99-K102 VanDerWaalsContact O-N 3.1Å; K102-Q104 PolarHBondContact O-N 3.06Å; K102-Q104 VanDerWaalsContact O-N 3.16Å
103K80.4Confident85.7Confident110 Ų11060.4 Ų60.448%0.47829%0.286SS..THydrogen-bonded Turntrans-70.6-0.8176.3-64.3-65.1-176.4167.90113.8L77 E99 A100 L101L77-K103 HydrophobicContact CD1-CG 4.17Å; E99-K103 WeakPolarHBondContact O-CG 3.4Å; E99-K103 PolarHBondContact O-N 2.9Å; E99-K103 VanDerWaalsContact O-N 3.11Å; A100-K103 PolarHBondContact O-N 3Å; L101-K103 VanDerWaalsContact C-N 3.3Å; L101-K103 PolarHBondContact O-N 3.15Å
104Q65.1Low85.6Confident167 Ų16760.4 Ų60.478%0.7829%0.286SS*.  trans48.467.9172.2-66.8-173.91.400113.8L101 K102 K106L101-Q104 PolarHBondContact O-N 3.37Å; K102-Q104 PolarHBondContact O-N 3.06Å; K102-Q104 VanDerWaalsContact O-N 3.16Å; Q104-K106 PolarHBondContact O-N 3.11Å
105C69Low85.6Confident18 Ų1860.9 Ų60.912%0.12229%0.286CS..  trans-64.8131.5169.6-70.60000111A74 D107 L110 N111A74-C105 WeakPolarHBondContact CB-SG 3.39Å; C105-D107 PolarHBondContact O-N 3.48Å; C105-L110 HydrophobicContact CB-CD2 4Å; C105-N111 PolarHBondContact O-ND2 2.85Å
106K73Confident85.5Confident199 Ų19956.3 Ų56.387%0.86527%0.269SS*.SBendtrans-62.8-20.3172.6-65.2179.6-179.5175.30112Q104 N108Q104-K106 PolarHBondContact O-N 3.11Å; K106-N108 PolarHBondContact O-N 2.83Å
107D80.2Confident85.6Confident95 Ų9556.5 Ų56.551%0.50827%0.27SS..  trans-78.4102-178.4-61.1-39000112.5C105 H109 L110 N111C105-D107 PolarHBondContact O-N 3.48Å; D107-H109 PolarHBondContact O-N 3.1Å; D107-H109 VanDerWaalsContact O-N 3.13Å; D107-L110 HydrophobicContact CB-CB 3.91Å; D107-L110 PolarHBondContact O-N 2.7Å; D107-N111 PolarHBondContact O-N 3.36Å
108N82.5Confident85.6Confident94 Ų9458.5 Ų58.550%0.50328%0.277SS..Hα-helixtrans-54.4-31.4172.8-70.7-32.3000112.9K106 S112K106-N108 PolarHBondContact O-N 2.83Å; N108-S112 WeakPolarHBondContact O-CB 3.29Å; N108-S112 PolarHBondContact O-N 3.34Å
109H85.2Confident85.6Confident100 Ų10056.6 Ų56.646%0.46327%0.265SS..Hα-helixtrans-65.2-47.9175.6179.948.8000112.1D107 N111 S112 V113 R142D107-H109 PolarHBondContact O-N 3.1Å; D107-H109 VanDerWaalsContact O-N 3.13Å; H109-N111 VanDerWaalsContact C-N 3.34Å; H109-S112 PolarHBondContact O-N 3.02Å; H109-V113 WeakPolarHBondContact O-CG2 3.37Å; H109-V113 PolarHBondContact O-N 3.04Å; H109-R142 PolarHBondContact ND1-NH1 3.41Å
110L86Confident85.8Confident13 Ų1354.1 Ų54.17%0.06826%0.257CS..Hα-helixtrans-64-43179.6-177.857.2000110.7A74 L75 K78 C105 D107 S112 V113 L114A74-L110 HydrophobicContact CB-CD2 4.01Å; L75-L110 HydrophobicContact CD2-CD1 3.59Å; L75-L110 HydrophobicContact CD2-CD2 4.18Å; L75-L110 HydrophobicContact CG-CD1 4.38Å; L75-L110 HydrophobicContact CG-CD2 4.09Å; K78-L110 HydrophobicContact CD-CD1 4.12Å; C105-L110 HydrophobicContact CB-CD2 4Å; D107-L110 HydrophobicContact CB-CB 3.91Å; D107-L110 PolarHBondContact O-N 2.7Å; L110-S112 PolarHBondContact O-N 2.81Å; L110-V113 PolarHBondContact O-N 3.39Å; L110-L114 HydrophobicContact CD1-CG 4.44Å; L110-L114 HydrophobicContact CG-CD1 4.2Å; L110-L114 WeakPolarHBondContact O-CG 3.43Å; L110-L114 PolarHBondContact O-N 3.23Å
111N87.2Confident86Confident15 Ų1554.1 Ų54.18%0.0826%0.257CS..Hα-helixtrans-58.4-46.5175.3-68.4-25.1000111.6C105 D107 H109 V113 L114 Y115 F141C105-N111 PolarHBondContact O-ND2 2.85Å; D107-N111 PolarHBondContact O-N 3.36Å; H109-N111 VanDerWaalsContact C-N 3.34Å; N111-V113 VanDerWaalsContact C-N 3.32Å; N111-V113 PolarHBondContact O-N 2.94Å; N111-L114 PolarHBondContact O-N 3.44Å; N111-Y115 WeakPolarHBondContact O-CD2 3.29Å; N111-Y115 PolarHBondContact O-N 3.39Å; N111-F141 HydrophobicContact CB-CD1 4.4Å; N111-F141 HydrophobicContact CB-CG 4.38Å
112S89Confident86.2Confident0 Ų053.8 Ų53.80%026%0.255CS..Hα-helixtrans-59.3-41.2176.9-173.40000112.4N108 H109 L110 N116 A138N108-S112 WeakPolarHBondContact O-CB 3.29Å; N108-S112 PolarHBondContact O-N 3.34Å; H109-S112 PolarHBondContact O-N 3.02Å; L110-S112 PolarHBondContact O-N 2.81Å; S112-N116 WeakPolarHBondContact O-CB 3.39Å; S112-N116 PolarHBondContact O-N 2.97Å; S112-N116 VanDerWaalsContact O-N 3.1Å; S112-A138 PolarHBondContact OG-O 3.01Å
113V90.2Very high86.4Confident23 Ų2349.4 Ų49.414%0.13924%0.236CC..Hα-helixtrans-65.6-44176.1174.20000111.5K78 H109 L110 N111 N116 N117 Y145K78-V113 HydrophobicContact CD-CG1 4.35Å; H109-V113 WeakPolarHBondContact O-CG2 3.37Å; H109-V113 PolarHBondContact O-N 3.04Å; L110-V113 PolarHBondContact O-N 3.39Å; N111-V113 VanDerWaalsContact C-N 3.32Å; N111-V113 PolarHBondContact O-N 2.94Å; V113-N116 PolarHBondContact O-N 2.71Å; V113-N117 PolarHBondContact O-N 2.89Å; V113-N117 PolarHBondContact O-OD1 2.92Å; V113-Y145 HydrophobicContact CG2-CE2 4.33Å
114L91.9Very high86.9Confident0 Ų051.5 Ų51.50%024%0.241CC..Hα-helixtrans-60.6-49.4178.2-74.8171.4000112A74 K78 Y97 A100 L101 L110 N111 N116 N117 R118A74-L114 HydrophobicContact CB-CD1 4.42Å; K78-L114 HydrophobicContact CB-CD2 3.84Å; K78-L114 HydrophobicContact CG-CD2 4.05Å; Y97-L114 HydrophobicContact CD1-CD2 4Å; A100-L114 HydrophobicContact CB-CD1 3.76Å; A100-L114 HydrophobicContact CB-CD2 3.67Å; A100-L114 HydrophobicContact CB-CG 4.37Å; L101-L114 HydrophobicContact CD2-CB 3.79Å; L101-L114 HydrophobicContact CD2-CD1 4.01Å; L101-L114 HydrophobicContact CG-CB 4.09Å; L101-L114 HydrophobicContact CG-CD1 4.3Å; L110-L114 HydrophobicContact CD1-CG 4.44Å; L110-L114 HydrophobicContact CG-CD1 4.2Å; L110-L114 WeakPolarHBondContact O-CG 3.43Å; L110-L114 PolarHBondContact O-N 3.23Å; N111-L114 PolarHBondContact O-N 3.44Å; L114-N116 VanDerWaalsContact C-N 3.28Å; L114-N116 PolarHBondContact O-N 3.19Å; L114-N117 PolarHBondContact O-N 2.9Å; L114-R118 WeakPolarHBondContact O-CB 3.46Å; L114-R118 PolarHBondContact O-N 3.27Å
115Y92.8Very high88.2Confident39 Ų3947.5 Ų47.515%0.15322%0.224CC..Hα-helixtrans-58.3-41.9175.5-81.1-67.7000111.7L101 N111 N117 R118 A119 L137 F141L101-Y115 HydrophobicContact CD1-CD1 3.9Å; L101-Y115 HydrophobicContact CD1-CE1 3.63Å; L101-Y115 HydrophobicContact CD1-CE2 4.29Å; L101-Y115 HydrophobicContact CD1-CG 4.35Å; L101-Y115 HydrophobicContact CD2-CD2 3.87Å; L101-Y115 HydrophobicContact CD2-CE1 4.36Å; L101-Y115 HydrophobicContact CD2-CE2 3.48Å; L101-Y115 VanDerWaalsContact CD2-CE2 3.48Å; L101-Y115 HydrophobicContact CD2-CG 4.41Å; N111-Y115 WeakPolarHBondContact O-CD2 3.29Å; N111-Y115 PolarHBondContact O-N 3.39Å; Y115-N117 PolarHBondContact O-N 2.96Å; Y115-R118 PolarHBondContact O-N 3.07Å; Y115-A119 WeakPolarHBondContact O-CB 3.42Å; Y115-A119 PolarHBondContact O-N 2.87Å; Y115-L137 HydrophobicContact CD1-CB 3.93Å; Y115-L137 HydrophobicContact CD1-CD1 4.03Å; Y115-L137 HydrophobicContact CD2-CB 4.39Å; Y115-L137 HydrophobicContact CE1-CB 4.06Å; Y115-L137 HydrophobicContact CE1-CD1 3.58Å; Y115-L137 HydrophobicContact CE1-CG 4.45Å; Y115-L137 HydrophobicContact CG-CB 4.11Å; Y115-F141 AromaticContact CD2-CD2 3.8Å; Y115-F141 HydrophobicContact CD2-CD2 3.8Å; Y115-F141 AromaticContact CD2-CE2 3.63Å; Y115-F141 HydrophobicContact CD2-CE2 3.63Å; Y115-F141 AromaticContact CE2-CD2 3.81Å; Y115-F141 HydrophobicContact CE2-CD2 3.81Å; Y115-F141 AromaticContact CE2-CE2 3.15Å; Y115-F141 HydrophobicContact CE2-CE2 3.15Å; Y115-F141 AromaticContact CE2-CZ 3.85Å; Y115-F141 HydrophobicContact CE2-CZ 3.85Å; Y115-F141 AromaticContact CZ-CE2 3.97Å
116N92.4Very high89.2Confident1 Ų148.9 Ų48.91%0.00524%0.241CC..Hα-helixtrans-66.3-37.3178168.688.5000113.6S112 V113 L114 A119 A120 A138 Y145 A148 R151S112-N116 WeakPolarHBondContact O-CB 3.39Å; S112-N116 PolarHBondContact O-N 2.97Å; S112-N116 VanDerWaalsContact O-N 3.1Å; V113-N116 PolarHBondContact O-N 2.71Å; L114-N116 VanDerWaalsContact C-N 3.28Å; L114-N116 PolarHBondContact O-N 3.19Å; N116-A119 WeakPolarHBondContact O-CB 3.46Å; N116-A119 PolarHBondContact O-N 3.28Å; N116-A120 PolarHBondContact O-N 3.21Å; N116-A120 VanDerWaalsContact O-N 3.11Å; N116-A138 HydrophobicContact CB-CB 4.44Å; N116-Y145 HydrophobicContact CB-CD1 4.42Å; N116-Y145 HydrophobicContact CB-CE1 3.54Å; N116-Y145 PolarHBondContact ND2-OH 3.36Å; N116-A148 HydrophobicContact CB-CB 4.35Å; N116-A148 WeakPolarHBondContact OD1-CA 3.38Å; N116-R151 PolarHBondContact ND2-NH1 3Å; N116-R151 WeakPolarHBondContact OD1-CD 3.32Å; N116-R151 PolarHBondContact OD1-NH1 3.05Å
117N92.5Very high89.9Confident26 Ų2643.1 Ų43.114%0.13922%0.22CC..Hα-helixtrans-70.8-39.7176.1-72.76.1000111N82 Y97 V113 L114 Y115 A119 A120 A121N82-N117 PolarHBondContact OD1-ND2 3.44Å; N82-N117 VanDerWaalsContact OD1-ND2 3.16Å; Y97-N117 HydrophobicContact CD1-CB 4.32Å; Y97-N117 HydrophobicContact CD2-CB 4.37Å; Y97-N117 HydrophobicContact CE1-CB 3.81Å; Y97-N117 HydrophobicContact CE2-CB 3.88Å; V113-N117 PolarHBondContact O-N 2.89Å; V113-N117 PolarHBondContact O-OD1 2.92Å; L114-N117 PolarHBondContact O-N 2.9Å; Y115-N117 PolarHBondContact O-N 2.96Å; N117-A119 VanDerWaalsContact C-N 3.31Å; N117-A119 PolarHBondContact O-N 3.33Å; N117-A120 WeakPolarHBondContact O-CB 3.42Å; N117-A120 PolarHBondContact O-N 3.45Å; N117-A121 PolarHBondContact O-N 2.85Å
118R94.2Very high90.2Very high44 Ų4439.8 Ų39.817%0.16620%0.202CC..Hα-helixtrans-59.9-41.5171.4-164.6175.277178.5-1111.7I94 Y97 L114 Y115 A120 A121 N122 D134I94-R118 HydrophobicContact CG1-CG 4.44Å; I94-R118 HydrophobicContact CG2-CG 4.29Å; Y97-R118 HydrophobicContact CD2-CB 4.22Å; Y97-R118 HydrophobicContact CG-CB 4.48Å; L114-R118 WeakPolarHBondContact O-CB 3.46Å; L114-R118 PolarHBondContact O-N 3.27Å; Y115-R118 PolarHBondContact O-N 3.07Å; R118-A120 VanDerWaalsContact C-N 3.34Å; R118-A120 PolarHBondContact O-N 3.5Å; R118-A121 PolarHBondContact O-N 3.01Å; R118-N122 WeakPolarHBondContact O-CB 3.37Å; R118-N122 PolarHBondContact O-N 3Å; R118-N122 PolarHBondContact O-ND2 3.2Å; R118-D134 WeakPolarHBondContact CG-OD2 3.03Å; R118-D134 IonicContact CZ-OD1 2.69Å; R118-D134 VanDerWaalsContact CZ-OD1 3.29Å; R118-D134 IonicContact CZ-OD2 2.71Å; R118-D134 VanDerWaalsContact NE-CG 3.34Å; R118-D134 IonicContact NE-OD1 3.16Å; R118-D134 PolarHBondContact NE-OD1 3.06Å; R118-D134 VanDerWaalsContact NE-OD1 3.16Å; R118-D134 IonicContact NE-OD2 3.86Å; R118-D134 PolarHBondContact NE-OD2 3.05Å; R118-D134 IonicContact NH2-OD1 2.64Å; R118-D134 PolarHBondContact NH2-OD1 3.13Å; R118-D134 IonicContact NH2-OD2 3.29Å
119A93Very high90.5Very high0 Ų044.9 Ų44.90%021%0.214CC..Hα-helixtrans-59.2-44174.400000112Y115 N116 N117 N122 F123 A131 D134 F155Y115-A119 WeakPolarHBondContact O-CB 3.42Å; Y115-A119 PolarHBondContact O-N 2.87Å; N116-A119 WeakPolarHBondContact O-CB 3.46Å; N116-A119 PolarHBondContact O-N 3.28Å; N117-A119 VanDerWaalsContact C-N 3.31Å; N117-A119 PolarHBondContact O-N 3.33Å; A119-N122 PolarHBondContact O-N 3.46Å; A119-F123 WeakPolarHBondContact O-CB 3.44Å; A119-F123 PolarHBondContact O-N 3.41Å; A119-A131 HydrophobicContact CB-CB 4.46Å; A119-A131 WeakPolarHBondContact CB-O 3.44Å; A119-A131 WeakPolarHBondContact O-CB 3.49Å; A119-D134 HydrophobicContact CB-CB 3.65Å; A119-F155 HydrophobicContact CB-CE2 4.24Å
120A92.2Very high90.7Very high15 Ų1542.6 Ų42.612%0.12421%0.209CC..Hα-helixtrans-63.7-41177.200000112.1F85 N116 N117 R118 F123 R124F85-A120 HydrophobicContact CE2-CB 4.1Å; F85-A120 HydrophobicContact CZ-CB 4.28Å; N116-A120 PolarHBondContact O-N 3.21Å; N116-A120 VanDerWaalsContact O-N 3.11Å; N117-A120 WeakPolarHBondContact O-CB 3.42Å; N117-A120 PolarHBondContact O-N 3.45Å; R118-A120 VanDerWaalsContact C-N 3.34Å; R118-A120 PolarHBondContact O-N 3.5Å; A120-F123 PolarHBondContact O-N 3.11Å; A120-R124 WeakPolarHBondContact O-CG 3.46Å; A120-R124 PolarHBondContact O-N 3.1Å
121A93.8Very high91Very high0 Ų042 Ų420%021%0.206CC..Hα-helixtrans-67.1-42.9176.100000112.1F85 I94 Y97 N117 R118 F123 R124 L125F85-A121 HydrophobicContact CD2-CB 4.14Å; F85-A121 HydrophobicContact CE2-CB 4.34Å; I94-A121 HydrophobicContact CD1-CB 4.14Å; I94-A121 HydrophobicContact CG1-CB 3.61Å; Y97-A121 HydrophobicContact CE2-CB 4.41Å; N117-A121 PolarHBondContact O-N 2.85Å; R118-A121 PolarHBondContact O-N 3.01Å; A121-F123 VanDerWaalsContact C-N 3.34Å; A121-F123 PolarHBondContact O-N 3.22Å; A121-R124 PolarHBondContact O-N 3.41Å; A121-L125 PolarHBondContact O-N 3.14Å; A121-L125 VanDerWaalsContact O-N 3.16Å
122N93.7Very high91.1Very high14 Ų1441.8 Ų41.88%0.07521%0.205CC..Hα-helixtrans-60.9-41.7174.7-87.8-48.9000112.1I94 R118 A119 R124 L125 G126 N127 A131 D134I94-N122 WeakPolarHBondContact CD1-OD1 3.42Å; R118-N122 WeakPolarHBondContact O-CB 3.37Å; R118-N122 PolarHBondContact O-N 3Å; R118-N122 PolarHBondContact O-ND2 3.2Å; A119-N122 PolarHBondContact O-N 3.46Å; N122-R124 VanDerWaalsContact C-N 3.3Å; N122-R124 PolarHBondContact O-N 3.02Å; N122-L125 PolarHBondContact O-N 2.84Å; N122-G126 PolarHBondContact O-N 3.27Å; N122-N127 HydrophobicContact CB-CB 4.31Å; N122-N127 PolarHBondContact O-N 2.9Å; N122-A131 HydrophobicContact CB-CB 3.93Å; N122-D134 PolarHBondContact ND2-OD2 3.38Å
123F91.3Very high91.1Very high64 Ų6447.7 Ų47.728%0.28123%0.233SC..Hα-helixtrans-61-40.5176.1-179.2-103.4000111.8A119 A120 A121 L125 G126 I128 A131 F155A119-F123 WeakPolarHBondContact O-CB 3.44Å; A119-F123 PolarHBondContact O-N 3.41Å; A120-F123 PolarHBondContact O-N 3.11Å; A121-F123 VanDerWaalsContact C-N 3.34Å; A121-F123 PolarHBondContact O-N 3.22Å; F123-L125 VanDerWaalsContact C-N 3.3Å; F123-L125 PolarHBondContact O-N 3.49Å; F123-G126 PolarHBondContact O-N 3.48Å; F123-I128 HydrophobicContact CD2-CG1 4.28Å; F123-I128 HydrophobicContact CE2-CG1 4.46Å; F123-A131 HydrophobicContact CB-CB 4.23Å; F123-F155 HydrophobicContact CB-CD1 4.36Å; F123-F155 HydrophobicContact CB-CE1 3.75Å; F123-F155 HydrophobicContact CB-CE2 4.29Å; F123-F155 HydrophobicContact CB-CZ 3.7Å; F123-F155 HydrophobicContact CD1-CD1 4.29Å; F123-F155 AromaticContact CD1-CE1 3.67Å; F123-F155 HydrophobicContact CD1-CE1 3.67Å; F123-F155 HydrophobicContact CD1-CZ 4.35Å; F123-F155 AromaticContact CD2-CD1 3.22Å; F123-F155 HydrophobicContact CD2-CD1 3.22Å; F123-F155 AromaticContact CD2-CE1 3.37Å; F123-F155 HydrophobicContact CD2-CE1 3.37Å; F123-F155 AromaticContact CD2-CG 3.9Å; F123-F155 HydrophobicContact CD2-CG 3.9Å; F123-F155 HydrophobicContact CD2-CZ 4.13Å; F123-F155 HydrophobicContact CE1-CD1 4.43Å; F123-F155 HydrophobicContact CE1-CE1 4.07Å; F123-F155 AromaticContact CE2-CD1 3.41Å; F123-F155 HydrophobicContact CE2-CD1 3.41Å; F123-F155 VanDerWaalsContact CE2-CD1 3.41Å; F123-F155 AromaticContact CE2-CE1 3.81Å; F123-F155 HydrophobicContact CE2-CE1 3.81Å; F123-F155 HydrophobicContact CE2-CG 4.28Å; F123-F155 AromaticContact CG-CD1 3.71Å; F123-F155 HydrophobicContact CG-CD1 3.71Å; F123-F155 AromaticContact CG-CE1 3.28Å; F123-F155 HydrophobicContact CG-CE1 3.28Å; F123-F155 AromaticContact CG-CZ 3.81Å; F123-F155 HydrophobicContact CG-CZ 3.81Å; F123-F155 HydrophobicContact CZ-CD1 4.03Å; F123-F155 HydrophobicContact CZ-CE1 4.14Å
124R90.9Very high91.2Very high154 Ų15446.9 Ų46.958%0.58123%0.228SC*.Hα-helixtrans-67.5-26.7177-67.8-69-171-168.71.9113.8F85 Y90 A120 A121 N122 G126F85-R124 HydrophobicContact CE2-CG 4.28Å; F85-R124 HydrophobicContact CZ-CG 4.42Å; Y90-R124 HydrophobicContact CD1-CB 3.74Å; Y90-R124 HydrophobicContact CD1-CG 4.09Å; Y90-R124 HydrophobicContact CD2-CB 3.61Å; Y90-R124 HydrophobicContact CE1-CB 3.67Å; Y90-R124 HydrophobicContact CE1-CG 3.65Å; Y90-R124 HydrophobicContact CE2-CB 3.55Å; Y90-R124 HydrophobicContact CE2-CG 4.23Å; Y90-R124 HydrophobicContact CG-CB 3.71Å; A120-R124 WeakPolarHBondContact O-CG 3.46Å; A120-R124 PolarHBondContact O-N 3.1Å; A121-R124 PolarHBondContact O-N 3.41Å; N122-R124 VanDerWaalsContact C-N 3.3Å; N122-R124 PolarHBondContact O-N 3.02Å; R124-G126 VanDerWaalsContact C-N 3.31Å
125L91.9Very high91.1Very high83 Ų8346.9 Ų46.944%0.43523%0.228SC..THydrogen-bonded Turntrans-80.8-6.6171.3-71-179.4000113.9Y90 I94 A121 N122 F123Y90-L125 HydrophobicContact CD2-CD2 4.27Å; I94-L125 HydrophobicContact CD1-CD1 3.39Å; I94-L125 HydrophobicContact CD1-CG 4.39Å; A121-L125 PolarHBondContact O-N 3.14Å; A121-L125 VanDerWaalsContact O-N 3.16Å; N122-L125 PolarHBondContact O-N 2.84Å; F123-L125 VanDerWaalsContact C-N 3.3Å; F123-L125 PolarHBondContact O-N 3.49Å
126G88.7Confident90.8Very high47 Ų4748 Ų4849%0.48524%0.236SC..THydrogen-bonded Turntrans85.84-174.200000114.4N122 F123 R124 I128N122-G126 PolarHBondContact O-N 3.27Å; F123-G126 PolarHBondContact O-N 3.48Å; R124-G126 VanDerWaalsContact C-N 3.31Å; G126-I128 VanDerWaalsContact C-N 3.29Å; G126-I128 WeakPolarHBondContact O-CD1 3.47Å; G126-I128 PolarHBondContact O-N 3.33Å
127N89Confident90.6Very high79 Ų7950.1 Ų50.142%0.42225%0.247SC..  trans-84.166.7178.9-67.4-26.4000111.4N122 R129 S130 A131N122-N127 HydrophobicContact CB-CB 4.31Å; N122-N127 PolarHBondContact O-N 2.9Å; N127-R129 PolarHBondContact O-N 2.89Å; N127-S130 PolarHBondContact O-N 2.99Å; N127-A131 WeakPolarHBondContact O-CB 3.45Å; N127-A131 PolarHBondContact O-N 3.31Å
128I87Confident90.5Very high25 Ų2548.9 Ų48.913%0.12824%0.24CC..Hα-helixtrans-64.1-38.7-174.1-58.6121.4000112.4F123 G126 S130 A131 L132 F155 F159 L162F123-I128 HydrophobicContact CD2-CG1 4.28Å; F123-I128 HydrophobicContact CE2-CG1 4.46Å; G126-I128 VanDerWaalsContact C-N 3.29Å; G126-I128 WeakPolarHBondContact O-CD1 3.47Å; G126-I128 PolarHBondContact O-N 3.33Å; I128-S130 PolarHBondContact O-N 3.48Å; I128-A131 PolarHBondContact O-N 3.06Å; I128-L132 HydrophobicContact CG2-CD1 4.32Å; I128-L132 HydrophobicContact CG2-CG 4.42Å; I128-L132 WeakPolarHBondContact O-CG 3.35Å; I128-L132 PolarHBondContact O-N 3.16Å; I128-F155 HydrophobicContact CG2-CB 4.37Å; I128-F159 HydrophobicContact CB-CD2 4.4Å; I128-F159 HydrophobicContact CD1-CD2 3.68Å; I128-F159 HydrophobicContact CD1-CE1 4.04Å; I128-F159 HydrophobicContact CD1-CE2 3.07Å; I128-F159 HydrophobicContact CD1-CG 4.4Å; I128-F159 HydrophobicContact CD1-CZ 3.28Å; I128-F159 HydrophobicContact CG1-CD2 3.99Å; I128-F159 HydrophobicContact CG1-CE2 3.68Å; I128-F159 HydrophobicContact CG1-CZ 4.36Å; I128-F159 HydrophobicContact CG2-CD2 3.96Å; I128-F159 HydrophobicContact CG2-CE2 4.5Å; I128-L162 HydrophobicContact CG2-CD1 4.16Å
129R87.7Confident90.1Very high201 Ų20147.3 Ų47.376%0.75824%0.236SC*.Hα-helixtrans-59.5-47.5179.4-69.2-174.8177.5126.9-1.6111.6N127 L132 Q133 L162N127-R129 PolarHBondContact O-N 2.89Å; R129-L132 PolarHBondContact O-N 3.27Å; R129-Q133 PolarHBondContact O-N 3.46Å; R129-Q133 VanDerWaalsContact O-N 3.14Å; R129-L162 HydrophobicContact CG-CD1 4.21Å
130S90.4Very high89.7Confident51 Ų5155.3 Ų55.336%0.35727%0.27SS..Hα-helixtrans-66.2-39.4176.4-53.80000111.7N127 I128 L132 Q133 D134N127-S130 PolarHBondContact O-N 2.99Å; I128-S130 PolarHBondContact O-N 3.48Å; S130-L132 VanDerWaalsContact C-N 3.35Å; S130-L132 PolarHBondContact O-N 2.94Å; S130-Q133 PolarHBondContact O-N 3.23Å; S130-D134 VanDerWaalsContact O-CG 3.29Å; S130-D134 PolarHBondContact O-N 3.44Å
131A90.7Very high89.3Confident0 Ų058.1 Ų58.10%028%0.28CS..Hα-helixtrans-61-40.9176.100000112.6A119 N122 F123 N127 I128 D134 C135 F155A119-A131 HydrophobicContact CB-CB 4.46Å; A119-A131 WeakPolarHBondContact CB-O 3.44Å; A119-A131 WeakPolarHBondContact O-CB 3.49Å; N122-A131 HydrophobicContact CB-CB 3.93Å; F123-A131 HydrophobicContact CB-CB 4.23Å; N127-A131 WeakPolarHBondContact O-CB 3.45Å; N127-A131 PolarHBondContact O-N 3.31Å; I128-A131 PolarHBondContact O-N 3.06Å; A131-D134 WeakPolarHBondContact O-CB 3.36Å; A131-D134 PolarHBondContact O-N 3.41Å; A131-C135 PolarHBondContact O-N 2.64Å; A131-C135 PolarHBondContact O-SG 3.3Å; A131-F155 HydrophobicContact CB-CD2 4.02Å; A131-F155 HydrophobicContact CB-CE2 4.05Å
132L89.1Confident88.7Confident12 Ų1262.6 Ų62.66%0.06330%0.297CS..Hα-helixtrans-66.4-42.7175.7-75.8175.6000112.4I128 R129 S130 D134 C135 L136 G152 F155 L162 F164I128-L132 HydrophobicContact CG2-CD1 4.32Å; I128-L132 HydrophobicContact CG2-CG 4.42Å; I128-L132 WeakPolarHBondContact O-CG 3.35Å; I128-L132 PolarHBondContact O-N 3.16Å; R129-L132 PolarHBondContact O-N 3.27Å; S130-L132 VanDerWaalsContact C-N 3.35Å; S130-L132 PolarHBondContact O-N 2.94Å; L132-D134 VanDerWaalsContact C-N 3.25Å; L132-D134 PolarHBondContact O-N 2.96Å; L132-C135 PolarHBondContact O-N 3.16Å; L132-L136 WeakPolarHBondContact O-CG 3.27Å; L132-L136 PolarHBondContact O-N 3.44Å; L132-G152 WeakPolarHBondContact CD2-O 3.44Å; L132-F155 HydrophobicContact CD2-CB 3.63Å; L132-F155 HydrophobicContact CG-CB 4.13Å; L132-L162 HydrophobicContact CD1-CB 3.41Å; L132-L162 VanDerWaalsContact CD1-CB 3.41Å; L132-L162 HydrophobicContact CD1-CD1 3.6Å; L132-L162 HydrophobicContact CD1-CD2 4.07Å; L132-L162 HydrophobicContact CD1-CG 3.85Å; L132-F164 HydrophobicContact CD2-CD2 3.94Å
133Q90.1Very high88Confident124 Ų12464.6 Ų64.658%0.57931%0.311SS*.Hα-helixtrans-59.8-40.8175.6-172.4174.90.900111R129 S130 L136 L137R129-Q133 PolarHBondContact O-N 3.46Å; R129-Q133 VanDerWaalsContact O-N 3.14Å; S130-Q133 PolarHBondContact O-N 3.23Å; Q133-L136 PolarHBondContact O-N 2.95Å; Q133-L137 HydrophobicContact CG-CD1 4.5Å; Q133-L137 WeakPolarHBondContact O-CG 3.43Å; Q133-L137 PolarHBondContact O-N 3.4Å
134D91.6Very high87.5Confident5 Ų566 Ų663%0.02732%0.324CS..Hα-helixtrans-63.7-42.6174.9-72.8-15.7000112.3R118 A119 N122 S130 A131 L132 L136 L137 A138R118-D134 WeakPolarHBondContact CG-OD2 3.03Å; R118-D134 IonicContact CZ-OD1 2.69Å; R118-D134 VanDerWaalsContact CZ-OD1 3.29Å; R118-D134 IonicContact CZ-OD2 2.71Å; R118-D134 VanDerWaalsContact NE-CG 3.34Å; R118-D134 IonicContact NE-OD1 3.16Å; R118-D134 PolarHBondContact NE-OD1 3.06Å; R118-D134 VanDerWaalsContact NE-OD1 3.16Å; R118-D134 IonicContact NE-OD2 3.86Å; R118-D134 PolarHBondContact NE-OD2 3.05Å; R118-D134 IonicContact NH2-OD1 2.64Å; R118-D134 PolarHBondContact NH2-OD1 3.13Å; R118-D134 IonicContact NH2-OD2 3.29Å; A119-D134 HydrophobicContact CB-CB 3.65Å; N122-D134 PolarHBondContact ND2-OD2 3.38Å; S130-D134 VanDerWaalsContact O-CG 3.29Å; S130-D134 PolarHBondContact O-N 3.44Å; A131-D134 WeakPolarHBondContact O-CB 3.36Å; A131-D134 PolarHBondContact O-N 3.41Å; L132-D134 VanDerWaalsContact C-N 3.25Å; L132-D134 PolarHBondContact O-N 2.96Å; D134-L136 VanDerWaalsContact C-N 3.34Å; D134-L136 PolarHBondContact O-N 3.45Å; D134-L137 PolarHBondContact O-N 3.34Å; D134-A138 WeakPolarHBondContact O-CB 3.41Å; D134-A138 PolarHBondContact O-N 3.22Å
135C89.3Confident87Confident0 Ų059.8 Ų59.80%030%0.301CS..Hα-helixtrans-62.4-38.9174-74.90000112.6A131 L132 A138 T139 F164A131-C135 PolarHBondContact O-N 2.64Å; A131-C135 PolarHBondContact O-SG 3.3Å; L132-C135 PolarHBondContact O-N 3.16Å; C135-A138 PolarHBondContact O-N 3.3Å; C135-T139 PolarHBondContact O-N 3.18Å; C135-T139 VanDerWaalsContact O-N 3.1Å; C135-T139 PolarHBondContact O-OG1 3.29Å; C135-F164 HydrophobicContact CB-CE2 3.71Å; C135-F164 HydrophobicContact CB-CZ 3.87Å
136L87.7Confident86.6Confident64 Ų6463.6 Ų63.634%0.33531%0.31SS..Hα-helixtrans-64.6-45.7174.9-71.1173.2000110.9L132 Q133 D134 T139 K140 F164 I166L132-L136 WeakPolarHBondContact O-CG 3.27Å; L132-L136 PolarHBondContact O-N 3.44Å; Q133-L136 PolarHBondContact O-N 2.95Å; D134-L136 VanDerWaalsContact C-N 3.34Å; D134-L136 PolarHBondContact O-N 3.45Å; L136-T139 PolarHBondContact O-N 3.48Å; L136-K140 WeakPolarHBondContact O-CG 3.44Å; L136-K140 PolarHBondContact O-N 3.47Å; L136-F164 HydrophobicContact CD2-CD2 3.75Å; L136-F164 HydrophobicContact CD2-CE2 3.54Å; L136-F164 HydrophobicContact CD2-CZ 4.37Å; L136-F164 HydrophobicContact CG-CD2 4.07Å; L136-F164 HydrophobicContact CG-CE2 3.76Å; L136-I166 HydrophobicContact CD2-CD1 4.47Å; L136-I166 HydrophobicContact CD2-CG1 3.99Å
137L88.9Confident86.3Confident44 Ų4465.9 Ų65.923%0.2331%0.307CS..Hα-helixtrans-61-46.3175.9-70.3173000111.1Y115 Q133 D134 T139 K140 F141Y115-L137 HydrophobicContact CD1-CB 3.93Å; Y115-L137 HydrophobicContact CD1-CD1 4.03Å; Y115-L137 HydrophobicContact CD2-CB 4.39Å; Y115-L137 HydrophobicContact CE1-CB 4.06Å; Y115-L137 HydrophobicContact CE1-CD1 3.58Å; Y115-L137 HydrophobicContact CE1-CG 4.45Å; Y115-L137 HydrophobicContact CG-CB 4.11Å; Q133-L137 HydrophobicContact CG-CD1 4.5Å; Q133-L137 WeakPolarHBondContact O-CG 3.43Å; Q133-L137 PolarHBondContact O-N 3.4Å; D134-L137 PolarHBondContact O-N 3.34Å; L137-T139 PolarHBondContact O-N 2.86Å; L137-K140 HydrophobicContact CD2-CD 4.45Å; L137-K140 WeakPolarHBondContact O-CB 3.45Å; L137-K140 PolarHBondContact O-N 2.91Å; L137-F141 WeakPolarHBondContact O-CD2 3.37Å; L137-F141 PolarHBondContact O-N 3.3Å
138A88.5Confident85.9Confident0 Ų062.1 Ų62.10%029%0.286CS..Hα-helixtrans-55.7-39.3177.200000112.7S112 N116 D134 C135 R142 A148S112-A138 PolarHBondContact OG-O 3.01Å; N116-A138 HydrophobicContact CB-CB 4.44Å; D134-A138 WeakPolarHBondContact O-CB 3.41Å; D134-A138 PolarHBondContact O-N 3.22Å; C135-A138 PolarHBondContact O-N 3.3Å; A138-R142 PolarHBondContact O-N 2.81Å; A138-A148 HydrophobicContact CB-CB 3.75Å
139T85.7Confident85.6Confident12 Ų1261.5 Ų61.57%0.07428%0.284CS..Hα-helixtrans-71.6-37.5177.5-51.70000111.7C135 L136 L137 F141 R142 P143 V149 I166C135-T139 PolarHBondContact O-N 3.18Å; C135-T139 VanDerWaalsContact O-N 3.1Å; C135-T139 PolarHBondContact O-OG1 3.29Å; L136-T139 PolarHBondContact O-N 3.48Å; L137-T139 PolarHBondContact O-N 2.86Å; T139-F141 VanDerWaalsContact C-N 3.29Å; T139-F141 PolarHBondContact O-N 3.2Å; T139-R142 CarbonylContact O-C 3.07Å; T139-R142 PolarHBondContact O-N 2.97Å; T139-P143 WeakPolarHBondContact O-CA 3.15Å; T139-P143 VanDerWaalsContact O-N 3.08Å; T139-V149 HydrophobicContact CG2-CG2 4.44Å; T139-I166 HydrophobicContact CG2-CD1 3.6Å; T139-I166 HydrophobicContact CG2-CG1 4.26Å; T139-I166 HydrophobicContact CG2-CG2 3.76Å; T139-I166 VanDerWaalsContact OG1-CD1 3.24Å; T139-I166 WeakPolarHBondContact OG1-CD1 3.4Å
140K85.7Confident85.4Confident167 Ų16755.8 Ų55.873%0.72627%0.269SS*.Hα-helixtrans-59.2-39.1175.5-73.6-178.6-179.3-174.60112.4L136 L137L136-K140 WeakPolarHBondContact O-CG 3.44Å; L136-K140 PolarHBondContact O-N 3.47Å; L137-K140 HydrophobicContact CD2-CD 4.45Å; L137-K140 WeakPolarHBondContact O-CB 3.45Å; L137-K140 PolarHBondContact O-N 2.91Å
141F83.3Confident85.1Confident74 Ų7457.1 Ų57.133%0.32527%0.266SS..Hα-helixtrans-72-41175.7-69.2-74.5000112.5N111 Y115 L137 T139N111-F141 HydrophobicContact CB-CD1 4.4Å; N111-F141 HydrophobicContact CB-CG 4.38Å; Y115-F141 AromaticContact CD2-CD2 3.8Å; Y115-F141 HydrophobicContact CD2-CD2 3.8Å; Y115-F141 AromaticContact CD2-CE2 3.63Å; Y115-F141 HydrophobicContact CD2-CE2 3.63Å; Y115-F141 AromaticContact CE2-CD2 3.81Å; Y115-F141 HydrophobicContact CE2-CD2 3.81Å; Y115-F141 AromaticContact CE2-CE2 3.15Å; Y115-F141 HydrophobicContact CE2-CE2 3.15Å; Y115-F141 AromaticContact CE2-CZ 3.85Å; Y115-F141 HydrophobicContact CE2-CZ 3.85Å; Y115-F141 AromaticContact CZ-CE2 3.97Å; L137-F141 WeakPolarHBondContact O-CD2 3.37Å; L137-F141 PolarHBondContact O-N 3.3Å; T139-F141 VanDerWaalsContact C-N 3.29Å; T139-F141 PolarHBondContact O-N 3.2Å
142R82.6Confident84.7Confident94 Ų9457.1 Ų57.136%0.35527%0.266SS..  trans-143.7101.7179.9-174.2174170.5156.7-0.1110.6H109 A138 T139 T144 Y145H109-R142 PolarHBondContact ND1-NH1 3.41Å; A138-R142 PolarHBondContact O-N 2.81Å; T139-R142 CarbonylContact O-C 3.07Å; T139-R142 PolarHBondContact O-N 2.97Å; R142-T144 VanDerWaalsContact CG-OG1 3.27Å; R142-T144 WeakPolarHBondContact CG-OG1 3.5Å; R142-T144 PolarHBondContact NE-OG1 3.4Å; R142-T144 PolarHBondContact O-N 3.32Å; R142-Y145 WeakPolarHBondContact O-CB 3.42Å; R142-Y145 PolarHBondContact O-N 3.37Å
143P77.8Confident84.3Confident57 Ų5760.9 Ų60.937%0.3728%0.284SS..THydrogen-bonded Turntrans-67.4-22.117925.2-33.4000112.6T139 Y145 P169T139-P143 WeakPolarHBondContact O-CA 3.15Å; T139-P143 VanDerWaalsContact O-N 3.08Å; P143-Y145 PolarHBondContact O-N 3.43Å; P143-P169 HydrophobicContact CB-CG 4.17Å; P143-P169 HydrophobicContact CG-CG 4.42Å
144T80.5Confident83.9Confident92 Ų9260 Ų6056%0.56428%0.283SS*.THydrogen-bonded Turntrans-79.82.617859.60000114R142 W146R142-T144 VanDerWaalsContact CG-OG1 3.27Å; R142-T144 WeakPolarHBondContact CG-OG1 3.5Å; R142-T144 PolarHBondContact NE-OG1 3.4Å; R142-T144 PolarHBondContact O-N 3.32Å; T144-W146 PolarHBondContact O-N 2.91Å
145Y81.1Confident83.5Confident25 Ų2560 Ų6010%0.09828%0.283CS..  trans-85.778.6-178.7-168.8-119.6000111.6V113 N116 R142 P143 K147 A148 V149V113-Y145 HydrophobicContact CG2-CE2 4.33Å; N116-Y145 HydrophobicContact CB-CD1 4.42Å; N116-Y145 HydrophobicContact CB-CE1 3.54Å; N116-Y145 PolarHBondContact ND2-OH 3.36Å; R142-Y145 WeakPolarHBondContact O-CB 3.42Å; R142-Y145 PolarHBondContact O-N 3.37Å; P143-Y145 PolarHBondContact O-N 3.43Å; Y145-K147 HydrophobicContact CD1-CB 4.42Å; Y145-K147 HydrophobicContact CE1-CB 3.82Å; Y145-K147 HydrophobicContact CE2-CB 3.97Å; Y145-K147 HydrophobicContact CE2-CD 4.16Å; Y145-K147 HydrophobicContact CE2-CG 4.41Å; Y145-K147 PolarHBondContact O-N 3.14Å; Y145-A148 HydrophobicContact CD1-CB 3.45Å; Y145-A148 VanDerWaalsContact CD1-CB 3.45Å; Y145-A148 HydrophobicContact CE1-CB 3.89Å; Y145-A148 PolarHBondContact O-N 3.05Å; Y145-V149 PolarHBondContact O-N 3.41Å
146W82.4Confident82.9Confident163 Ų16360.4 Ų60.462%0.61729%0.286SS*.Hα-helixtrans-52.6-30.4-177.463.3-95.4000114.2T144 A148 V149 N150T144-W146 PolarHBondContact O-N 2.91Å; W146-A148 PolarHBondContact O-N 3.44Å; W146-V149 PolarHBondContact O-N 3.31Å; W146-N150 WeakPolarHBondContact O-CB 3.49Å; W146-N150 PolarHBondContact O-N 3.34Å
147K82.9Confident82.2Confident94 Ų9464.1 Ų64.141%0.40931%0.307SS..Hα-helixtrans-62.3-39.3177.3-76.3-176.6-179.9178.30112.7Y145 R151Y145-K147 HydrophobicContact CD1-CB 4.42Å; Y145-K147 HydrophobicContact CE1-CB 3.82Å; Y145-K147 HydrophobicContact CE2-CB 3.97Å; Y145-K147 HydrophobicContact CE2-CD 4.16Å; Y145-K147 HydrophobicContact CE2-CG 4.41Å; Y145-K147 PolarHBondContact O-N 3.14Å; K147-R151 WeakPolarHBondContact O-CG 3.41Å; K147-R151 PolarHBondContact O-N 2.85Å
148A81.8Confident81.3Confident0 Ų065.5 Ų65.50%032%0.32CS..Hα-helixtrans-73.7-38.4177.100000111.6N116 A138 Y145 W146 R151 G152N116-A148 HydrophobicContact CB-CB 4.35Å; N116-A148 WeakPolarHBondContact OD1-CA 3.38Å; A138-A148 HydrophobicContact CB-CB 3.75Å; Y145-A148 HydrophobicContact CD1-CB 3.45Å; Y145-A148 VanDerWaalsContact CD1-CB 3.45Å; Y145-A148 HydrophobicContact CE1-CB 3.89Å; Y145-A148 PolarHBondContact O-N 3.05Å; W146-A148 PolarHBondContact O-N 3.44Å; A148-R151 PolarHBondContact O-N 3.2Å; A148-G152 PolarHBondContact O-N 2.94Å
149V80.3Confident80.1Confident12 Ų1270 Ų707%0.07334%0.34CS..Hα-helixtrans-62.1-50.2177.5-178.20000110.3T139 Y145 W146 R151 G152 M153 I166 L168T139-V149 HydrophobicContact CG2-CG2 4.44Å; Y145-V149 PolarHBondContact O-N 3.41Å; W146-V149 PolarHBondContact O-N 3.31Å; V149-R151 VanDerWaalsContact C-N 3.3Å; V149-R151 PolarHBondContact O-N 3.38Å; V149-G152 PolarHBondContact O-N 3.25Å; V149-M153 HydrophobicContact CG1-CE 4.24Å; V149-M153 WeakPolarHBondContact O-CG 3.44Å; V149-M153 PolarHBondContact O-N 2.78Å; V149-I166 HydrophobicContact CG2-CD1 4.27Å; V149-L168 HydrophobicContact CG1-CD2 4.35Å; V149-L168 HydrophobicContact CG2-CD2 4.18Å
150N83.8Confident78.8Confident82 Ų8275.3 Ų75.344%0.43938%0.377SS..Hα-helixtrans-59.5-40.6178.4-74.90.6000112.3W146 M153 L154W146-N150 WeakPolarHBondContact O-CB 3.49Å; W146-N150 PolarHBondContact O-N 3.34Å; N150-M153 WeakPolarHBondContact OD1-CE 3.46Å; N150-L154 WeakPolarHBondContact O-CB 3.27Å; N150-L154 PolarHBondContact O-N 2.85Å
151R83.8Confident77.4Confident79 Ų7972.9 Ų72.930%0.29838%0.38SS..Hα-helixtrans-65.8-46175.8-78-173.4-179.599.7-1.9112.1N116 K147 A148 V149 M153 L154 F155N116-R151 PolarHBondContact ND2-NH1 3Å; N116-R151 WeakPolarHBondContact OD1-CD 3.32Å; N116-R151 PolarHBondContact OD1-NH1 3.05Å; K147-R151 WeakPolarHBondContact O-CG 3.41Å; K147-R151 PolarHBondContact O-N 2.85Å; A148-R151 PolarHBondContact O-N 3.2Å; V149-R151 VanDerWaalsContact C-N 3.3Å; V149-R151 PolarHBondContact O-N 3.38Å; R151-M153 VanDerWaalsContact C-N 3.31Å; R151-M153 PolarHBondContact O-N 2.96Å; R151-L154 WeakPolarHBondContact O-CB 3.36Å; R151-L154 PolarHBondContact O-N 3.39Å; R151-L154 VanDerWaalsContact O-N 3.14Å; R151-F155 HydrophobicContact CB-CD2 4.43Å; R151-F155 HydrophobicContact CB-CE1 4.46Å; R151-F155 HydrophobicContact CB-CE2 3.83Å; R151-F155 HydrophobicContact CB-CZ 3.85Å; R151-F155 HydrophobicContact CG-CZ 4.19Å; R151-F155 WeakPolarHBondContact O-CB 3.4Å; R151-F155 WeakPolarHBondContact O-CD1 3.33Å; R151-F155 VanDerWaalsContact O-CD2 3.27Å; R151-F155 WeakPolarHBondContact O-CD2 3.43Å; R151-F155 WeakPolarHBondContact O-CG 3.05Å; R151-F155 PolarHBondContact O-N 3.03Å
152G81.7Confident76.2Confident0 Ų072 Ų720%038%0.378CS..Hα-helixtrans-63-37.9178.700000112.8L132 A148 V149 F155 G156L132-G152 WeakPolarHBondContact CD2-O 3.44Å; A148-G152 PolarHBondContact O-N 2.94Å; V149-G152 PolarHBondContact O-N 3.25Å; G152-F155 PolarHBondContact O-N 2.86Å; G152-G156 PolarHBondContact O-N 3.24Å
153M80.4Confident75.1Confident90 Ų9078.3 Ų78.344%0.44340%0.402SS..Hα-helixtrans-62.5-45.4170.8-68.5-167.7-6300111.9V149 N150 R151 F155 G156 N157 F164V149-M153 HydrophobicContact CG1-CE 4.24Å; V149-M153 WeakPolarHBondContact O-CG 3.44Å; V149-M153 PolarHBondContact O-N 2.78Å; N150-M153 WeakPolarHBondContact OD1-CE 3.46Å; R151-M153 VanDerWaalsContact C-N 3.31Å; R151-M153 PolarHBondContact O-N 2.96Å; M153-F155 PolarHBondContact O-N 3.2Å; M153-G156 PolarHBondContact O-N 3.37Å; M153-N157 WeakPolarHBondContact O-CB 3.24Å; M153-N157 VanDerWaalsContact O-CG 3.28Å; M153-N157 PolarHBondContact O-N 3.19Å; M153-N157 PolarHBondContact O-ND2 3.37Å; M153-F164 HydrophobicContact CG-CD1 4.12Å; M153-F164 HydrophobicContact CG-CE1 4.46Å
154L83.2Confident74.4Confident106 Ų10677.2 Ų77.256%0.55539%0.392SS*.Hα-helixtrans-61.3-44.3177.8-17865.8000112N150 R151 N157 S158N150-L154 WeakPolarHBondContact O-CB 3.27Å; N150-L154 PolarHBondContact O-N 2.85Å; R151-L154 WeakPolarHBondContact O-CB 3.36Å; R151-L154 PolarHBondContact O-N 3.39Å; R151-L154 VanDerWaalsContact O-N 3.14Å; L154-N157 PolarHBondContact O-N 3.05Å; L154-S158 PolarHBondContact O-N 3.22Å
155F83.1Confident73.6Confident5 Ų578.5 Ų78.52%0.02240%0.395CS..Hα-helixtrans-67.5-38.7179.9-59.4-19.7000111.9A119 F123 I128 A131 L132 R151 G152 M153A119-F155 HydrophobicContact CB-CE2 4.24Å; F123-F155 HydrophobicContact CB-CD1 4.36Å; F123-F155 HydrophobicContact CB-CE1 3.75Å; F123-F155 HydrophobicContact CB-CE2 4.29Å; F123-F155 HydrophobicContact CB-CZ 3.7Å; F123-F155 HydrophobicContact CD1-CD1 4.29Å; F123-F155 AromaticContact CD1-CE1 3.67Å; F123-F155 HydrophobicContact CD1-CE1 3.67Å; F123-F155 HydrophobicContact CD1-CZ 4.35Å; F123-F155 AromaticContact CD2-CD1 3.22Å; F123-F155 HydrophobicContact CD2-CD1 3.22Å; F123-F155 AromaticContact CD2-CE1 3.37Å; F123-F155 HydrophobicContact CD2-CE1 3.37Å; F123-F155 AromaticContact CD2-CG 3.9Å; F123-F155 HydrophobicContact CD2-CG 3.9Å; F123-F155 HydrophobicContact CD2-CZ 4.13Å; F123-F155 HydrophobicContact CE1-CD1 4.43Å; F123-F155 HydrophobicContact CE1-CE1 4.07Å; F123-F155 AromaticContact CE2-CD1 3.41Å; F123-F155 HydrophobicContact CE2-CD1 3.41Å; F123-F155 VanDerWaalsContact CE2-CD1 3.41Å; F123-F155 AromaticContact CE2-CE1 3.81Å; F123-F155 HydrophobicContact CE2-CE1 3.81Å; F123-F155 HydrophobicContact CE2-CG 4.28Å; F123-F155 AromaticContact CG-CD1 3.71Å; F123-F155 HydrophobicContact CG-CD1 3.71Å; F123-F155 AromaticContact CG-CE1 3.28Å; F123-F155 HydrophobicContact CG-CE1 3.28Å; F123-F155 AromaticContact CG-CZ 3.81Å; F123-F155 HydrophobicContact CG-CZ 3.81Å; F123-F155 HydrophobicContact CZ-CD1 4.03Å; F123-F155 HydrophobicContact CZ-CE1 4.14Å; I128-F155 HydrophobicContact CG2-CB 4.37Å; A131-F155 HydrophobicContact CB-CD2 4.02Å; A131-F155 HydrophobicContact CB-CE2 4.05Å; L132-F155 HydrophobicContact CD2-CB 3.63Å; L132-F155 HydrophobicContact CG-CB 4.13Å; R151-F155 HydrophobicContact CB-CD2 4.43Å; R151-F155 HydrophobicContact CB-CE1 4.46Å; R151-F155 HydrophobicContact CB-CE2 3.83Å; R151-F155 HydrophobicContact CB-CZ 3.85Å; R151-F155 HydrophobicContact CG-CZ 4.19Å; R151-F155 WeakPolarHBondContact O-CB 3.4Å; R151-F155 WeakPolarHBondContact O-CD1 3.33Å; R151-F155 VanDerWaalsContact O-CD2 3.27Å; R151-F155 WeakPolarHBondContact O-CD2 3.43Å; R151-F155 WeakPolarHBondContact O-CG 3.05Å; R151-F155 PolarHBondContact O-N 3.03Å; G152-F155 PolarHBondContact O-N 2.86Å; M153-F155 PolarHBondContact O-N 3.2Å
156G76.1Confident72.7Confident8 Ų879.1 Ų79.18%0.08240%0.4CS..Hα-helixtrans-67.1-43.2175.200000112.4G152 M153 S158 F159G152-G156 PolarHBondContact O-N 3.24Å; M153-G156 PolarHBondContact O-N 3.37Å; G156-S158 VanDerWaalsContact C-N 3.26Å; G156-S158 PolarHBondContact O-N 3Å; G156-F159 CarbonylContact O-C 3.23Å; G156-F159 VanDerWaalsContact O-C 3.23Å; G156-F159 PolarHBondContact O-N 3.23Å
157N73Confident71.6Confident142 Ų14277.4 Ų77.476%0.75941%0.408SS*.Hα-helixtrans-64.8-30.5179.3-74.3-17.7000113.1M153 L154 F159M153-N157 WeakPolarHBondContact O-CB 3.24Å; M153-N157 VanDerWaalsContact O-CG 3.28Å; M153-N157 PolarHBondContact O-N 3.19Å; M153-N157 PolarHBondContact O-ND2 3.37Å; L154-N157 PolarHBondContact O-N 3.05Å; N157-F159 PolarHBondContact O-N 3.28Å
158S69.5Low70.3Confident73 Ų7377.8 Ų77.851%0.5141%0.413SS..THydrogen-bonded Turntrans-67.3-19.7175.8-173.20000113L154 G156L154-S158 PolarHBondContact O-N 3.22Å; G156-S158 VanDerWaalsContact C-N 3.26Å; G156-S158 PolarHBondContact O-N 3Å
159F63.2Low68.8Low94 Ų9481.9 Ų81.941%0.41244%0.44SS..SBendtrans-138.199.3-177.8-70.9-88000109.8I128 G156 N157 C161 L162I128-F159 HydrophobicContact CB-CD2 4.4Å; I128-F159 HydrophobicContact CD1-CD2 3.68Å; I128-F159 HydrophobicContact CD1-CE1 4.04Å; I128-F159 HydrophobicContact CD1-CE2 3.07Å; I128-F159 HydrophobicContact CD1-CG 4.4Å; I128-F159 HydrophobicContact CD1-CZ 3.28Å; I128-F159 HydrophobicContact CG1-CD2 3.99Å; I128-F159 HydrophobicContact CG1-CE2 3.68Å; I128-F159 HydrophobicContact CG1-CZ 4.36Å; I128-F159 HydrophobicContact CG2-CD2 3.96Å; I128-F159 HydrophobicContact CG2-CE2 4.5Å; G156-F159 CarbonylContact O-C 3.23Å; G156-F159 VanDerWaalsContact O-C 3.23Å; G156-F159 PolarHBondContact O-N 3.23Å; N157-F159 PolarHBondContact O-N 3.28Å; F159-C161 PolarHBondContact O-N 3.1Å; F159-L162 HydrophobicContact CB-CD1 4.32Å; F159-L162 PolarHBondContact O-N 2.93Å
160S58.5Low66.9Low124 Ų12492.6 Ų92.687%0.86750%0.497SS*.THydrogen-bonded Turntrans-46.6-19.8-177.455.50000115.8
161C56.4Low66Low116 Ų11693.2 Ų93.278%0.78450%0.5SS*.THydrogen-bonded Turntrans-88.2-5.3-177.6-54.30000115.4F159F159-C161 PolarHBondContact O-N 3.1Å
162L57.6Low65.1Low55 Ų5593.9 Ų93.929%0.28851%0.511SS..  trans-117.697.5-174-70.4159.6000111.3I128 R129 L132 F159 F164I128-L162 HydrophobicContact CG2-CD1 4.16Å; R129-L162 HydrophobicContact CG-CD1 4.21Å; L132-L162 HydrophobicContact CD1-CB 3.41Å; L132-L162 VanDerWaalsContact CD1-CB 3.41Å; L132-L162 HydrophobicContact CD1-CD1 3.6Å; L132-L162 HydrophobicContact CD1-CD2 4.07Å; L132-L162 HydrophobicContact CD1-CG 3.85Å; F159-L162 HydrophobicContact CB-CD1 4.32Å; F159-L162 PolarHBondContact O-N 2.93Å; L162-F164 PolarHBondContact O-N 3.24Å
163R59.9Low64.2Low228 Ų22899.1 Ų99.186%0.8654%0.539SS*.  trans-79.6105.8177-165.3168.7-174.4158.80.6110.2N165R163-N165 PolarHBondContact O-N 3.17Å; R163-N165 VanDerWaalsContact O-N 3.17Å
164F64.3Low63.2Low34 Ų3499.6 Ų99.615%0.14955%0.545CS..  trans-7697.9169.2-168.6-116.1000108.8L132 C135 L136 M153 L162 I166L132-F164 HydrophobicContact CD2-CD2 3.94Å; C135-F164 HydrophobicContact CB-CE2 3.71Å; C135-F164 HydrophobicContact CB-CZ 3.87Å; L136-F164 HydrophobicContact CD2-CD2 3.75Å; L136-F164 HydrophobicContact CD2-CE2 3.54Å; L136-F164 HydrophobicContact CD2-CZ 4.37Å; L136-F164 HydrophobicContact CG-CD2 4.07Å; L136-F164 HydrophobicContact CG-CE2 3.76Å; M153-F164 HydrophobicContact CG-CD1 4.12Å; M153-F164 HydrophobicContact CG-CE1 4.46Å; L162-F164 PolarHBondContact O-N 3.24Å; F164-I166 HydrophobicContact CD1-CD1 4.01Å; F164-I166 HydrophobicContact CD1-CG1 4.22Å; F164-I166 HydrophobicContact CE1-CD1 3.13Å; F164-I166 HydrophobicContact CE1-CG1 3.82Å; F164-I166 HydrophobicContact CE2-CD1 3.9Å; F164-I166 HydrophobicContact CE2-CG1 4.36Å; F164-I166 HydrophobicContact CZ-CD1 3.05Å; F164-I166 HydrophobicContact CZ-CG1 3.89Å
165N62.1Low62Low119 Ų11999.3 Ų99.364%0.63654%0.544SS*.  trans-102.693.1-177.6-159.8-0.9000109.5R163R163-N165 PolarHBondContact O-N 3.17Å; R163-N165 VanDerWaalsContact O-N 3.17Å
166I63.1Low60.6Low38 Ų38105.5 Ų105.520%0.19558%0.579CS.*  trans-108.9121.3170.8-67.5179000108.2L136 T139 V149 F164 L168L136-I166 HydrophobicContact CD2-CD1 4.47Å; L136-I166 HydrophobicContact CD2-CG1 3.99Å; T139-I166 HydrophobicContact CG2-CD1 3.6Å; T139-I166 HydrophobicContact CG2-CG1 4.26Å; T139-I166 HydrophobicContact CG2-CG2 3.76Å; T139-I166 VanDerWaalsContact OG1-CD1 3.24Å; T139-I166 WeakPolarHBondContact OG1-CD1 3.4Å; V149-I166 HydrophobicContact CG2-CD1 4.27Å; F164-I166 HydrophobicContact CD1-CD1 4.01Å; F164-I166 HydrophobicContact CD1-CG1 4.22Å; F164-I166 HydrophobicContact CE1-CD1 3.13Å; F164-I166 HydrophobicContact CE1-CG1 3.82Å; F164-I166 HydrophobicContact CE2-CD1 3.9Å; F164-I166 HydrophobicContact CE2-CG1 4.36Å; F164-I166 HydrophobicContact CZ-CD1 3.05Å; F164-I166 HydrophobicContact CZ-CG1 3.89Å; I166-L168 HydrophobicContact CG2-CD2 3.87Å; I166-L168 HydrophobicContact CG2-CG 4.24Å; I166-L168 PolarHBondContact O-N 3.31Å
167T58.5Low59.5Low127 Ų127112.5 Ų112.578%0.77961%0.614SS**  trans-77.3101.1162.251.70000107.8
168L55.6Low58.4Low101 Ų101110.2 Ų110.253%0.52960%0.603SS.*  trans-69.3133.9169.8-65.8173.5000108.2V149 I166 N170V149-L168 HydrophobicContact CG1-CD2 4.35Å; V149-L168 HydrophobicContact CG2-CD2 4.18Å; I166-L168 HydrophobicContact CG2-CD2 3.87Å; I166-L168 HydrophobicContact CG2-CG 4.24Å; I166-L168 PolarHBondContact O-N 3.31Å; L168-N170 PolarHBondContact O-N 3.5Å
169P49.7Very low57.5Low87 Ų87113.3 Ų113.357%0.56561%0.611SS**  trans-64135.7167.627.3-31000108.8P143P143-P169 HydrophobicContact CB-CG 4.17Å; P143-P169 HydrophobicContact CG-CG 4.42Å
170N41.2Very low57Low237 Ų237115.1 Ų115.1100%1.26763%0.629SS**  trans-57.20175.7-72.3-30.9000112.3L168L168-N170 PolarHBondContact O-N 3.5Å

Retrieved 170 of 170 residues in 164.3 ms (Link to these results)