A0A3Q0KCI4_SCHMA Loading...

Tetraspanin

AlphaFold DB , UniProt , Accession A0A3Q0KCI4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 282 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M42.1Very low40.6Very low244 Ų244151.6 Ų151.6100%1.20282%0.815SS**  0122.30-79.1176.9166.500108.2
2Q39.2Very low40.3Very low176 Ų176148.6 Ų148.682%0.82281%0.814SS**  trans42.4105.4169.1-82.3167.5-43.900119.1
3K41.8Very low40.3Very low190 Ų190145.5 Ų145.583%0.82681%0.809SS**  84.2131.486.7-91.4-153.9168.5173.90110.5
4V43.5Very low40.3Very low91 Ų91142.3 Ų142.355%0.55281%0.811SS**  cis-179.2143.610.5114.40000108.7
5M44.3Very low40.5Very low175 Ų175137.7 Ų137.786%0.86281%0.807SS**  trans48.2138.3144.1-48.8-179.4-88.100120.3
6G40.6Very low40.8Very low70 Ų70141.7 Ų141.772%0.72281%0.812SS**  cis154.7158.96.900000111.1
7A41.8Very low41.2Very low97 Ų97140.8 Ų140.880%0.80281%0.812SS**  trans65.8146.2154.500000118.6
8K40.3Very low42Very low193 Ų193142.4 Ų142.484%0.83982%0.816SS**  cis-167.5138.50.7-114.8172.8-178.9-178.20108.9
9T38.4Very low42.7Very low124 Ų124141.7 Ų141.776%0.76181%0.807SS**  trans-7.4131.7151.345.10000123.9
10K34.6Very low43.3Very low199 Ų199136.3 Ų136.387%0.86578%0.784SS**  42.7169.3121.2-88.5-168.2177.7-179.50122.1
11P40.6Very low43.9Very low109 Ų109138.9 Ų138.971%0.70878%0.782SS**  cis-141.6-174-45.740.5-21.2000114.7
12S37Very low44.5Very low115 Ų115134.8 Ų134.880%0.80476%0.76SS**  trans91.5131.2146.1-154.90000123.7
13S39.9Very low45.4Very low108 Ų108131.7 Ų131.776%0.75575%0.746SS**  trans100.6117.6141.9-164.70000121.2
14A40.2Very low45.9Very low101 Ų101127 Ų12784%0.83573%0.729SS**  trans69.2104.4143.800000120.1
15G43.2Very low46.3Very low73 Ų73126.1 Ų126.175%0.75372%0.723SS**  trans-168.4116155.200000109.6
16K45.3Very low46.6Very low202 Ų202123 Ų12388%0.87871%0.709SS**PPolyproline II helixtrans-52133.4168.6-77175.9178.5178.70108.2L18K16-L18 PolarHBondContact O-N 3.14Å; K16-L18 VanDerWaalsContact O-N 3.14Å
17P48.4Very low47Very low126 Ų126127.2 Ų127.282%0.81871%0.71SS**PPolyproline II helixtrans-69118.7173.827.7-28.5000107.9M19P17-M19 PolarHBondContact O-N 3.15Å
18L54.5Low47.3Very low170 Ų170128.9 Ų128.989%0.8970%0.701SS**PPolyproline II helixtrans-56.3123161.4-82.6151.6000107.2K16 G20K16-L18 PolarHBondContact O-N 3.14Å; K16-L18 VanDerWaalsContact O-N 3.14Å; L18-G20 PolarHBondContact O-N 3.35Å; L18-G20 VanDerWaalsContact O-N 3.15Å
19M56.3Low47.5Very low130 Ų130123.8 Ų123.864%0.6468%0.683SS**PPolyproline II helixtrans-56.3118.4170.3-146.2178.4-170.200107.2P17 E23P17-M19 PolarHBondContact O-N 3.15Å; M19-E23 HydrophobicContact CG-CB 4.45Å; M19-E23 WeakPolarHBondContact CG-OE2 3.16Å
20G54.8Low47.8Very low33 Ų33123.2 Ų123.234%0.3468%0.675SS.*PPolyproline II helixtrans-65.4143.8-173.200000110.7L18 E22 E23 I24L18-G20 PolarHBondContact O-N 3.35Å; L18-G20 VanDerWaalsContact O-N 3.15Å; G20-E22 PolarHBondContact O-N 3.39Å; G20-E22 VanDerWaalsContact O-N 3.1Å; G20-E23 PolarHBondContact O-N 3.13Å; G20-I24 PolarHBondContact O-N 3.1Å
21Y54.6Low48.4Very low190 Ų190118.3 Ų118.375%0.74567%0.666SS**Hα-helixtrans-51.3-29.4168.7179.2-99.3000111.9I24 V25Y21-I24 PolarHBondContact O-N 3.09Å; Y21-V25 HydrophobicContact CD1-CG2 4.18Å; Y21-V25 HydrophobicContact CE1-CG2 3.87Å; Y21-V25 HydrophobicContact CE2-CG2 4.44Å; Y21-V25 VanDerWaalsContact O-CG2 3.28Å; Y21-V25 WeakPolarHBondContact O-CG2 3.2Å; Y21-V25 PolarHBondContact O-N 3.44Å; Y21-V25 VanDerWaalsContact O-N 3.09Å
22E56.2Low48.5Very low158 Ų158119.5 Ų119.574%0.73866%0.66SS**Hα-helixtrans-62.7-38.6171.1-80.3176.9115.700113.8G20 I26G20-E22 PolarHBondContact O-N 3.39Å; G20-E22 VanDerWaalsContact O-N 3.1Å; E22-I26 VanDerWaalsContact O-CD1 3.29Å; E22-I26 WeakPolarHBondContact O-CD1 3.28Å; E22-I26 WeakPolarHBondContact O-CG1 3.29Å; E22-I26 PolarHBondContact O-N 2.89Å; E22-I26 VanDerWaalsContact O-N 3.13Å
23E56.7Low48.9Very low112 Ų112118.4 Ų118.452%0.52365%0.651SS.*Hα-helixtrans-72.2-31.5177.6-76.9-175.4151.100112.4M19 G20 Q27M19-E23 HydrophobicContact CG-CB 4.45Å; M19-E23 WeakPolarHBondContact CG-OE2 3.16Å; G20-E23 PolarHBondContact O-N 3.13Å; E23-Q27 PolarHBondContact O-N 3.35Å
24I52.7Low49.3Very low92 Ų92116.7 Ų116.747%0.47264%0.639SS.*Hα-helixtrans-73.2-36.4177.6-60.2173.7000110.8G20 Y21 Q27 E28G20-I24 PolarHBondContact O-N 3.1Å; Y21-I24 PolarHBondContact O-N 3.09Å; I24-Q27 PolarHBondContact O-N 3.43Å; I24-E28 PolarHBondContact O-N 3.48Å
25V52.1Low49.6Very low71 Ų71116.3 Ų116.343%0.4363%0.63SS.*Hα-helixtrans-71.2-34.6176.2173.20000111.8Y21 Q27 E28 D29Y21-V25 HydrophobicContact CD1-CG2 4.18Å; Y21-V25 HydrophobicContact CE1-CG2 3.87Å; Y21-V25 HydrophobicContact CE2-CG2 4.44Å; Y21-V25 VanDerWaalsContact O-CG2 3.28Å; Y21-V25 WeakPolarHBondContact O-CG2 3.2Å; Y21-V25 PolarHBondContact O-N 3.44Å; Y21-V25 VanDerWaalsContact O-N 3.09Å; V25-Q27 VanDerWaalsContact C-N 3.32Å; V25-Q27 PolarHBondContact O-N 3.45Å; V25-E28 PolarHBondContact O-N 3.35Å; V25-D29 PolarHBondContact O-N 3.43Å
26I51.2Low50.1Low110 Ų110117.9 Ų117.956%0.56463%0.628SS**Hα-helixtrans-65.8-35.2176.5-68.1163.3000111.3E22E22-I26 VanDerWaalsContact O-CD1 3.29Å; E22-I26 WeakPolarHBondContact O-CD1 3.28Å; E22-I26 WeakPolarHBondContact O-CG1 3.29Å; E22-I26 PolarHBondContact O-N 2.89Å; E22-I26 VanDerWaalsContact O-N 3.13Å
27Q49Very low50.8Low158 Ų158109.6 Ų109.674%0.73859%0.594SS**Hα-helixtrans-81.2-16.1-178.2-155.6162.7-63.600114.2E23 I24 V25E23-Q27 PolarHBondContact O-N 3.35Å; I24-Q27 PolarHBondContact O-N 3.43Å; V25-Q27 VanDerWaalsContact C-N 3.32Å; V25-Q27 PolarHBondContact O-N 3.45Å
28E46.6Very low51.9Low133 Ų133106.5 Ų106.562%0.62157%0.574SS**Hα-helixtrans-92.7-18.6176.9-153.4167.6142.200113I24 V25 S31I24-E28 PolarHBondContact O-N 3.48Å; V25-E28 PolarHBondContact O-N 3.35Å; E28-S31 PolarHBondContact O-OG 2.98Å; E28-S31 VanDerWaalsContact O-OG 3.09Å
29D45.1Very low53.1Low85 Ų85102.9 Ų102.946%0.45556%0.563SS.*Hα-helixtrans-89-20.3179.1-155.516.9000114.4V25 S31 K32 C33V25-D29 PolarHBondContact O-N 3.43Å; D29-S31 PolarHBondContact O-N 3.16Å; D29-K32 PolarHBondContact O-N 3.09Å; D29-C33 PolarHBondContact O-N 3.04Å; D29-C33 VanDerWaalsContact O-N 3.16Å
30D45Very low54.6Low112 Ų112104.2 Ų104.260%0.59956%0.561SS**THydrogen-bonded Turntrans-61.5-18.7174.8-85-24.5000113.4
31S47.1Very low56.2Low96 Ų96103 Ų10367%0.67155%0.547SS*.THydrogen-bonded Turntrans-84.6-21.8175.572.20000114E28 D29E28-S31 PolarHBondContact O-OG 2.98Å; E28-S31 VanDerWaalsContact O-OG 3.09Å; D29-S31 PolarHBondContact O-N 3.16Å
32K42.8Very low57.9Low134 Ų13497.1 Ų97.158%0.58353%0.525SS*.THydrogen-bonded Turntrans-102.1-16.4-176.7-74.8174.9-177.7161.30113.5D29 C34 S35D29-K32 PolarHBondContact O-N 3.09Å; K32-C34 PolarHBondContact O-N 3.2Å; K32-C34 VanDerWaalsContact O-N 3.1Å; K32-S35 WeakPolarHBondContact O-CB 3.47Å; K32-S35 PolarHBondContact O-OG 2.99Å
33C46.2Very low59.5Low92 Ų9294 Ų9462%0.62252%0.517SS*.THydrogen-bonded Turntrans-69.82.1-178.5-830000117.1D29 S35D29-C33 PolarHBondContact O-N 3.04Å; D29-C33 VanDerWaalsContact O-N 3.16Å; C33-S35 PolarHBondContact O-N 3.1Å
34C47.1Very low61.1Low73 Ų7391.1 Ų91.149%0.49350%0.503SS..THydrogen-bonded Turntrans-74.45.8170.2-80.40000114.3K32 C36K32-C34 PolarHBondContact O-N 3.2Å; K32-C34 VanDerWaalsContact O-N 3.1Å; C34-C36 PolarHBondContact O-N 2.69Å
35S45.9Very low63Low93 Ų9387 Ų8765%0.6548%0.482SS*.THydrogen-bonded Turntrans-82-0.4-156.3-69.80000118.1K32 C33K32-S35 WeakPolarHBondContact O-CB 3.47Å; K32-S35 PolarHBondContact O-OG 2.99Å; C33-S35 PolarHBondContact O-N 3.1Å
36C54.6Low64.9Low105 Ų10586.3 Ų86.371%0.70948%0.475SS*.THydrogen-bonded Turntrans-90.4-3.5176.8-68.90000114.6C34C34-C36 PolarHBondContact O-N 2.69Å
37T60.8Low66.9Low29 Ų2986.8 Ų86.818%0.17847%0.473CS..SBendtrans-105.4136.5166.514.50000109.2S39 Y274 A277T37-S39 PolarHBondContact O-N 2.63Å; T37-S39 VanDerWaalsContact O-N 3.15Å; T37-Y274 HydrophobicContact CG2-CD2 3.5Å; T37-Y274 VanDerWaalsContact CG2-CD2 3.5Å; T37-Y274 HydrophobicContact CG2-CE2 3.89Å; T37-Y274 VanDerWaalsContact OG1-CE2 3.3Å; T37-Y274 WeakPolarHBondContact OG1-CE2 3.28Å; T37-A277 HydrophobicContact CG2-CB 3.48Å; T37-A277 VanDerWaalsContact CG2-CB 3.48Å
38P70.5Confident69Low61 Ų6181.3 Ų81.340%0.39645%0.447SS..  trans-59.2127-175.4-17.227.2000109.6W40 V41P38-W40 HydrophobicContact CB-CD2 4.27Å; P38-W40 HydrophobicContact CB-CG 3.95Å; P38-W40 HydrophobicContact CG-CZ2 4.46Å; P38-W40 PolarHBondContact O-N 3.11Å; P38-V41 HydrophobicContact CB-CG2 4.1Å; P38-V41 HydrophobicContact CG-CG2 4.02Å; P38-V41 WeakPolarHBondContact O-CB 3.48Å; P38-V41 PolarHBondContact O-N 2.71Å
39S80.9Confident71.3Confident93 Ų9375.1 Ų75.165%0.6542%0.419SS*.Hα-helixtrans-51.2-30.3-179-54.90000112.3T37 V41 K42 T43T37-S39 PolarHBondContact O-N 2.63Å; T37-S39 VanDerWaalsContact O-N 3.15Å; S39-V41 VanDerWaalsContact C-N 3.34Å; S39-V41 PolarHBondContact O-N 3.19Å; S39-K42 PolarHBondContact O-N 3.49Å; S39-T43 PolarHBondContact O-N 3.48Å; S39-T43 VanDerWaalsContact O-N 3.07Å; S39-T43 PolarHBondContact O-OG1 3.01Å
40W86.8Confident73.6Confident158 Ų15872.9 Ų72.960%0.59841%0.412SS*.Hα-helixtrans-63.3-32.9175.971.3-103.8000113.8P38 F44 L270P38-W40 HydrophobicContact CB-CD2 4.27Å; P38-W40 HydrophobicContact CB-CG 3.95Å; P38-W40 HydrophobicContact CG-CZ2 4.46Å; P38-W40 PolarHBondContact O-N 3.11Å; W40-F44 WeakPolarHBondContact O-CB 3.35Å; W40-F44 PolarHBondContact O-N 2.88Å; W40-L270 HydrophobicContact CH2-CD2 3.9Å; W40-L270 HydrophobicContact CZ3-CD1 4.35Å; W40-L270 HydrophobicContact CZ3-CD2 4Å
41V89Confident75.9Confident9 Ų970.6 Ų70.66%0.05540%0.399CS..Hα-helixtrans-67.3-46.7178.3177.50000110.3P38 S39 F44 L45 L270 Y274P38-V41 HydrophobicContact CB-CG2 4.1Å; P38-V41 HydrophobicContact CG-CG2 4.02Å; P38-V41 WeakPolarHBondContact O-CB 3.48Å; P38-V41 PolarHBondContact O-N 2.71Å; S39-V41 VanDerWaalsContact C-N 3.34Å; S39-V41 PolarHBondContact O-N 3.19Å; V41-F44 PolarHBondContact O-N 3.33Å; V41-L45 HydrophobicContact CG1-CD1 4.09Å; V41-L45 HydrophobicContact CG1-CG 4.47Å; V41-L45 WeakPolarHBondContact O-CG 3.25Å; V41-L45 PolarHBondContact O-N 2.86Å; V41-L270 HydrophobicContact CG1-CB 4.28Å; V41-L270 HydrophobicContact CG1-CD2 4.28Å; V41-L270 HydrophobicContact CG2-CD2 4.32Å; V41-Y274 HydrophobicContact CG1-CD2 4.36Å
42K88.9Confident78.1Confident65 Ų6567.1 Ų67.128%0.28337%0.372SS..Hα-helixtrans-60.2-48.5176.8-174.5178.3-177.6175.60110.5S39 F44 L45 I46 V107S39-K42 PolarHBondContact O-N 3.49Å; K42-F44 PolarHBondContact O-N 3.07Å; K42-L45 PolarHBondContact O-N 2.72Å; K42-I46 HydrophobicContact CG-CD1 3.94Å; K42-I46 VanDerWaalsContact O-CG1 3.29Å; K42-I46 WeakPolarHBondContact O-CG1 3.16Å; K42-I46 PolarHBondContact O-N 2.94Å; K42-V107 HydrophobicContact CB-CG1 4.48Å; K42-V107 HydrophobicContact CG-CG1 3.61Å
43T89.9Confident80.7Confident92 Ų9262.8 Ų62.856%0.56436%0.355SS*.Hα-helixtrans-60.7-44.8178.3-58.30000111.8S39 I46 F47S39-T43 PolarHBondContact O-N 3.48Å; S39-T43 VanDerWaalsContact O-N 3.07Å; S39-T43 PolarHBondContact O-OG1 3.01Å; T43-I46 PolarHBondContact O-N 3.36Å; T43-F47 VanDerWaalsContact O-CB 3.25Å; T43-F47 WeakPolarHBondContact O-CB 3.3Å; T43-F47 PolarHBondContact O-N 3.28Å
44F91.1Very high83Confident53 Ų5364.5 Ų64.523%0.23236%0.356CS..Hα-helixtrans-58.2-53.9175.9-179.6-78.6000111W40 V41 K42 I46 F47 F48 F266 L270W40-F44 WeakPolarHBondContact O-CB 3.35Å; W40-F44 PolarHBondContact O-N 2.88Å; V41-F44 PolarHBondContact O-N 3.33Å; K42-F44 PolarHBondContact O-N 3.07Å; F44-I46 VanDerWaalsContact C-N 3.31Å; F44-I46 PolarHBondContact O-N 3.49Å; F44-F47 PolarHBondContact O-N 3.34Å; F44-F47 VanDerWaalsContact O-N 3.14Å; F44-F48 AromaticContact CD1-CD2 3.5Å; F44-F48 HydrophobicContact CD1-CD2 3.5Å; F44-F48 AromaticContact CD1-CE2 4Å; F44-F48 HydrophobicContact CD1-CE2 4Å; F44-F48 AromaticContact CD2-CD2 3.7Å; F44-F48 HydrophobicContact CD2-CD2 3.7Å; F44-F48 AromaticContact CD2-CE2 3.3Å; F44-F48 HydrophobicContact CD2-CE2 3.3Å; F44-F48 HydrophobicContact CD2-CZ 4.41Å; F44-F48 AromaticContact CE1-CD2 3.31Å; F44-F48 HydrophobicContact CE1-CD2 3.31Å; F44-F48 AromaticContact CE1-CE2 3.7Å; F44-F48 HydrophobicContact CE1-CE2 3.7Å; F44-F48 HydrophobicContact CE1-CG 4.12Å; F44-F48 AromaticContact CE2-CD2 3.56Å; F44-F48 HydrophobicContact CE2-CD2 3.56Å; F44-F48 AromaticContact CE2-CE2 2.98Å; F44-F48 HydrophobicContact CE2-CE2 2.98Å; F44-F48 AromaticContact CE2-CZ 3.78Å; F44-F48 HydrophobicContact CE2-CZ 3.78Å; F44-F48 AromaticContact CG-CD2 3.67Å; F44-F48 HydrophobicContact CG-CD2 3.67Å; F44-F48 AromaticContact CG-CE2 3.79Å; F44-F48 HydrophobicContact CG-CE2 3.79Å; F44-F48 AromaticContact CZ-CD2 3.34Å; F44-F48 HydrophobicContact CZ-CD2 3.34Å; F44-F48 AromaticContact CZ-CE2 3.19Å; F44-F48 HydrophobicContact CZ-CE2 3.19Å; F44-F48 HydrophobicContact CZ-CG 4.24Å; F44-F48 AromaticContact CZ-CZ 3.9Å; F44-F48 HydrophobicContact CZ-CZ 3.9Å; F44-F48 VanDerWaalsContact O-CD2 3.26Å; F44-F48 WeakPolarHBondContact O-CD2 3Å; F44-F48 PolarHBondContact O-N 2.97Å; F44-F266 HydrophobicContact CZ-CB 4.25Å; F44-L270 HydrophobicContact CD1-CD1 3.31Å; F44-L270 HydrophobicContact CD2-CD1 4.43Å; F44-L270 HydrophobicContact CE1-CD1 3.39Å; F44-L270 HydrophobicContact CE2-CD1 4.45Å; F44-L270 HydrophobicContact CG-CD1 3.9Å; F44-L270 HydrophobicContact CZ-CD1 3.99Å
45L92.5Very high85.3Confident4 Ų464.6 Ų64.62%0.02135%0.351CS..Hα-helixtrans-59.4-41.8-178.1-72.2174.5000111.9V41 K42 T49 V107 L115 L270 A271 Y274V41-L45 HydrophobicContact CG1-CD1 4.09Å; V41-L45 HydrophobicContact CG1-CG 4.47Å; V41-L45 WeakPolarHBondContact O-CG 3.25Å; V41-L45 PolarHBondContact O-N 2.86Å; K42-L45 PolarHBondContact O-N 2.72Å; L45-T49 VanDerWaalsContact O-CB 3.23Å; L45-T49 WeakPolarHBondContact O-CB 3.45Å; L45-T49 PolarHBondContact O-N 2.91Å; L45-T49 PolarHBondContact O-OG1 2.76Å; L45-V107 HydrophobicContact CB-CG1 4.49Å; L45-V107 HydrophobicContact CB-CG2 3.92Å; L45-V107 HydrophobicContact CD1-CG2 4.06Å; L45-L115 HydrophobicContact CD1-CD1 4.36Å; L45-L270 HydrophobicContact CD2-CB 4Å; L45-L270 HydrophobicContact CG-CB 4.4Å; L45-A271 HydrophobicContact CD2-CB 4.39Å; L45-Y274 HydrophobicContact CD1-CD1 4.32Å; L45-Y274 HydrophobicContact CD1-CG 4.34Å
46I93Very high87.7Confident58 Ų5860.2 Ų60.230%0.29732%0.32SS..Hα-helixtrans-64-47176-68.4171.2000110.7K42 T43 F44 T49 A50 F104 V107K42-I46 HydrophobicContact CG-CD1 3.94Å; K42-I46 VanDerWaalsContact O-CG1 3.29Å; K42-I46 WeakPolarHBondContact O-CG1 3.16Å; K42-I46 PolarHBondContact O-N 2.94Å; T43-I46 PolarHBondContact O-N 3.36Å; F44-I46 VanDerWaalsContact C-N 3.31Å; F44-I46 PolarHBondContact O-N 3.49Å; I46-T49 PolarHBondContact O-N 3.34Å; I46-A50 WeakPolarHBondContact O-CB 3.46Å; I46-A50 PolarHBondContact O-N 3.22Å; I46-F104 HydrophobicContact CG2-CD1 4.44Å; I46-F104 HydrophobicContact CG2-CE1 4Å; I46-V107 HydrophobicContact CD1-CG1 4.03Å; I46-V107 HydrophobicContact CG1-CB 4.4Å; I46-V107 HydrophobicContact CG1-CG1 3.72Å
47F93.3Very high89.7Confident119 Ų11959.5 Ų59.552%0.52231%0.309SS..Hα-helixtrans-60.7-48.9-178.7175.9-104.5000112.2T43 F44 A50 I51T43-F47 VanDerWaalsContact O-CB 3.25Å; T43-F47 WeakPolarHBondContact O-CB 3.3Å; T43-F47 PolarHBondContact O-N 3.28Å; F44-F47 PolarHBondContact O-N 3.34Å; F44-F47 VanDerWaalsContact O-N 3.14Å; F47-A50 WeakPolarHBondContact O-CB 3.39Å; F47-A50 PolarHBondContact O-N 3.32Å; F47-I51 HydrophobicContact CD1-CD1 4Å; F47-I51 HydrophobicContact CE1-CD1 3.44Å; F47-I51 VanDerWaalsContact CE1-CD1 3.44Å; F47-I51 HydrophobicContact CE2-CD1 4.36Å; F47-I51 HydrophobicContact CZ-CD1 3.65Å; F47-I51 HydrophobicContact CZ-CG1 4.47Å; F47-I51 PolarHBondContact O-N 3.45Å
48F91.9Very high91.4Very high44 Ų4461 Ų6119%0.19333%0.325CS..Hα-helixtrans-70.2-36.4179.2-77.1-73.1000112.7F44 A50 I51 I52 V263F44-F48 AromaticContact CD1-CD2 3.5Å; F44-F48 HydrophobicContact CD1-CD2 3.5Å; F44-F48 AromaticContact CD1-CE2 4Å; F44-F48 HydrophobicContact CD1-CE2 4Å; F44-F48 AromaticContact CD2-CD2 3.7Å; F44-F48 HydrophobicContact CD2-CD2 3.7Å; F44-F48 AromaticContact CD2-CE2 3.3Å; F44-F48 HydrophobicContact CD2-CE2 3.3Å; F44-F48 HydrophobicContact CD2-CZ 4.41Å; F44-F48 AromaticContact CE1-CD2 3.31Å; F44-F48 HydrophobicContact CE1-CD2 3.31Å; F44-F48 AromaticContact CE1-CE2 3.7Å; F44-F48 HydrophobicContact CE1-CE2 3.7Å; F44-F48 HydrophobicContact CE1-CG 4.12Å; F44-F48 AromaticContact CE2-CD2 3.56Å; F44-F48 HydrophobicContact CE2-CD2 3.56Å; F44-F48 AromaticContact CE2-CE2 2.98Å; F44-F48 HydrophobicContact CE2-CE2 2.98Å; F44-F48 AromaticContact CE2-CZ 3.78Å; F44-F48 HydrophobicContact CE2-CZ 3.78Å; F44-F48 AromaticContact CG-CD2 3.67Å; F44-F48 HydrophobicContact CG-CD2 3.67Å; F44-F48 AromaticContact CG-CE2 3.79Å; F44-F48 HydrophobicContact CG-CE2 3.79Å; F44-F48 AromaticContact CZ-CD2 3.34Å; F44-F48 HydrophobicContact CZ-CD2 3.34Å; F44-F48 AromaticContact CZ-CE2 3.19Å; F44-F48 HydrophobicContact CZ-CE2 3.19Å; F44-F48 HydrophobicContact CZ-CG 4.24Å; F44-F48 AromaticContact CZ-CZ 3.9Å; F44-F48 HydrophobicContact CZ-CZ 3.9Å; F44-F48 VanDerWaalsContact O-CD2 3.26Å; F44-F48 WeakPolarHBondContact O-CD2 3Å; F44-F48 PolarHBondContact O-N 2.97Å; F48-A50 PolarHBondContact O-N 3.49Å; F48-I51 HydrophobicContact CD1-CD1 4.13Å; F48-I51 HydrophobicContact CE1-CD1 4.34Å; F48-I51 PolarHBondContact O-N 3.48Å; F48-I52 WeakPolarHBondContact O-CG1 3.39Å; F48-I52 PolarHBondContact O-N 2.82Å; F48-V263 HydrophobicContact CB-CG1 4.26Å; F48-V263 HydrophobicContact CD1-CB 4.25Å; F48-V263 HydrophobicContact CD1-CG1 3.13Å; F48-V263 HydrophobicContact CD1-CG2 4.08Å; F48-V263 HydrophobicContact CE1-CB 4.18Å; F48-V263 HydrophobicContact CE1-CG1 3.51Å; F48-V263 HydrophobicContact CE1-CG2 3.52Å; F48-V263 HydrophobicContact CG-CG1 3.8Å; F48-V263 HydrophobicContact CZ-CG1 4.49Å; F48-V263 HydrophobicContact CZ-CG2 4.25Å
49T94.2Very high92.5Very high3 Ų360.4 Ų60.42%0.01832%0.317CS..Hα-helixtrans-61.7-35.3172.1-54.60000111L45 I46 I52 L53 C100 F104 F118L45-T49 VanDerWaalsContact O-CB 3.23Å; L45-T49 WeakPolarHBondContact O-CB 3.45Å; L45-T49 PolarHBondContact O-N 2.91Å; L45-T49 PolarHBondContact O-OG1 2.76Å; I46-T49 PolarHBondContact O-N 3.34Å; T49-I52 PolarHBondContact O-N 2.86Å; T49-L53 WeakPolarHBondContact O-CB 3.21Å; T49-L53 PolarHBondContact O-N 3.35Å; T49-C100 HydrophobicContact CG2-CB 3.86Å; T49-C100 WeakPolarHBondContact CG2-O 3.37Å; T49-F104 HydrophobicContact CG2-CD1 4.2Å; T49-F104 HydrophobicContact CG2-CD2 3.81Å; T49-F104 HydrophobicContact CG2-CE1 4.06Å; T49-F104 HydrophobicContact CG2-CE2 3.65Å; T49-F104 HydrophobicContact CG2-CG 4.08Å; T49-F104 HydrophobicContact CG2-CZ 3.8Å; T49-F118 HydrophobicContact CG2-CZ 4.36Å
50A95Very high93.2Very high38 Ų3857.6 Ų57.631%0.31430%0.295SS..Hα-helixtrans-66.9-41.317400000112.7I46 F47 F48 L53 M54 F104I46-A50 WeakPolarHBondContact O-CB 3.46Å; I46-A50 PolarHBondContact O-N 3.22Å; F47-A50 WeakPolarHBondContact O-CB 3.39Å; F47-A50 PolarHBondContact O-N 3.32Å; F48-A50 PolarHBondContact O-N 3.49Å; A50-L53 PolarHBondContact O-N 3.3Å; A50-M54 WeakPolarHBondContact O-CG 3.34Å; A50-M54 PolarHBondContact O-N 3.01Å; A50-F104 HydrophobicContact CB-CE1 4.45Å; A50-F104 HydrophobicContact CB-CZ 3.92Å
51I93.7Very high93.5Very high63 Ų6351.9 Ų51.932%0.32329%0.285SS..Hα-helixtrans-60.3-48174.2-67.7171.5000110.6F47 F48 L53 M54 I55F47-I51 HydrophobicContact CD1-CD1 4Å; F47-I51 HydrophobicContact CE1-CD1 3.44Å; F47-I51 VanDerWaalsContact CE1-CD1 3.44Å; F47-I51 HydrophobicContact CE2-CD1 4.36Å; F47-I51 HydrophobicContact CZ-CD1 3.65Å; F47-I51 HydrophobicContact CZ-CG1 4.47Å; F47-I51 PolarHBondContact O-N 3.45Å; F48-I51 HydrophobicContact CD1-CD1 4.13Å; F48-I51 HydrophobicContact CE1-CD1 4.34Å; F48-I51 PolarHBondContact O-N 3.48Å; I51-L53 VanDerWaalsContact C-N 3.29Å; I51-L53 PolarHBondContact O-N 3.26Å; I51-M54 PolarHBondContact O-N 3.47Å; I51-M54 VanDerWaalsContact O-N 3.15Å; I51-I55 HydrophobicContact CG2-CD1 3.93Å; I51-I55 WeakPolarHBondContact O-CG1 3.46Å; I51-I55 PolarHBondContact O-N 3.5Å
52I92.8Very high93.7Very high23 Ų2355.4 Ų55.412%0.11830%0.303CS..Hα-helixtrans-61.5-40.3178.8-62.8166.9000110.4F48 T49 M54 I55 A56 L122F48-I52 WeakPolarHBondContact O-CG1 3.39Å; F48-I52 PolarHBondContact O-N 2.82Å; T49-I52 PolarHBondContact O-N 2.86Å; I52-M54 PolarHBondContact O-N 3.21Å; I52-I55 PolarHBondContact O-N 3.13Å; I52-A56 WeakPolarHBondContact O-CB 3.43Å; I52-A56 PolarHBondContact O-N 3.33Å; I52-L122 HydrophobicContact CD1-CD2 4.3Å
53L96.3Very high93.7Very high43 Ų4352.3 Ų52.323%0.22529%0.289CS..Hα-helixtrans-60.8-43.8175.4178.863.4000111.6T49 A50 I51 I55 A56 L57 V97 C100 F104T49-L53 WeakPolarHBondContact O-CB 3.21Å; T49-L53 PolarHBondContact O-N 3.35Å; A50-L53 PolarHBondContact O-N 3.3Å; I51-L53 VanDerWaalsContact C-N 3.29Å; I51-L53 PolarHBondContact O-N 3.26Å; L53-I55 VanDerWaalsContact C-N 3.34Å; L53-I55 PolarHBondContact O-N 2.9Å; L53-A56 PolarHBondContact O-N 3.21Å; L53-L57 HydrophobicContact CD1-CD1 4.31Å; L53-L57 HydrophobicContact CD1-CG 4.22Å; L53-L57 HydrophobicContact CG-CD1 4.14Å; L53-L57 HydrophobicContact CG-CG 4.46Å; L53-L57 WeakPolarHBondContact O-CG 3.14Å; L53-L57 PolarHBondContact O-N 3.43Å; L53-V97 HydrophobicContact CD1-CB 4.38Å; L53-V97 HydrophobicContact CD1-CG1 4.19Å; L53-V97 HydrophobicContact CD1-CG2 4.01Å; L53-C100 HydrophobicContact CB-CB 4.09Å; L53-C100 HydrophobicContact CD1-CB 4.15Å; L53-F104 HydrophobicContact CB-CE2 4.39Å; L53-F104 HydrophobicContact CD2-CE2 3.86Å
54M95.7Very high93.7Very high128 Ų12851 Ų5163%0.63128%0.281SS*.Hα-helixtrans-62.8-41.5177.1-68.4-58.3-65.600111.7A50 I51 I52 L57 A58A50-M54 WeakPolarHBondContact O-CG 3.34Å; A50-M54 PolarHBondContact O-N 3.01Å; I51-M54 PolarHBondContact O-N 3.47Å; I51-M54 VanDerWaalsContact O-N 3.15Å; I52-M54 PolarHBondContact O-N 3.21Å; M54-L57 PolarHBondContact O-N 2.95Å; M54-A58 WeakPolarHBondContact O-CB 3.36Å; M54-A58 PolarHBondContact O-N 2.83Å
55I93.9Very high93.6Very high76 Ų7653.2 Ų53.239%0.3929%0.291SS..Hα-helixtrans-63-43.4174.8-65.5167.9000110.5I51 I52 L53 A58 L59 L260I51-I55 HydrophobicContact CG2-CD1 3.93Å; I51-I55 WeakPolarHBondContact O-CG1 3.46Å; I51-I55 PolarHBondContact O-N 3.5Å; I52-I55 PolarHBondContact O-N 3.13Å; L53-I55 VanDerWaalsContact C-N 3.34Å; L53-I55 PolarHBondContact O-N 2.9Å; I55-A58 PolarHBondContact O-N 3.45Å; I55-L59 WeakPolarHBondContact O-CB 3.11Å; I55-L59 PolarHBondContact O-N 2.91Å; I55-L260 HydrophobicContact CD1-CD2 3.88Å
56A96.2Very high93.2Very high0 Ų054 Ų540%030%0.295CS..Hα-helixtrans-63.5-44.3178.900000112.2I52 L53 L59 I60 L96 V97I52-A56 WeakPolarHBondContact O-CB 3.43Å; I52-A56 PolarHBondContact O-N 3.33Å; L53-A56 PolarHBondContact O-N 3.21Å; A56-L59 WeakPolarHBondContact O-CB 3.35Å; A56-L59 PolarHBondContact O-N 2.98Å; A56-I60 WeakPolarHBondContact O-CG1 3.48Å; A56-I60 PolarHBondContact O-N 2.92Å; A56-L96 HydrophobicContact CB-CB 3.58Å; A56-L96 HydrophobicContact CB-CD1 4.35Å; A56-V97 HydrophobicContact CB-CG2 3.92Å
57L97.2Very high92.7Very high90 Ų9054.9 Ų54.947%0.47130%0.3SS..Hα-helixtrans-64.8-39.5175.4-68.5174.1000111.7L53 M54 L59 I60 G61 V97L53-L57 HydrophobicContact CD1-CD1 4.31Å; L53-L57 HydrophobicContact CD1-CG 4.22Å; L53-L57 HydrophobicContact CG-CD1 4.14Å; L53-L57 HydrophobicContact CG-CG 4.46Å; L53-L57 WeakPolarHBondContact O-CG 3.14Å; L53-L57 PolarHBondContact O-N 3.43Å; M54-L57 PolarHBondContact O-N 2.95Å; L57-L59 VanDerWaalsContact C-N 3.34Å; L57-I60 PolarHBondContact O-N 3.03Å; L57-G61 PolarHBondContact O-N 3.43Å; L57-V97 HydrophobicContact CD2-CG2 4.11Å
58A95.9Very high92.2Very high62 Ų6254.5 Ų54.551%0.51231%0.307SS..Hα-helixtrans-63.7-39.3173.900000111.8M54 I55 G61 L62M54-A58 WeakPolarHBondContact O-CB 3.36Å; M54-A58 PolarHBondContact O-N 2.83Å; I55-A58 PolarHBondContact O-N 3.45Å; A58-G61 PolarHBondContact O-N 3.42Å; A58-L62 VanDerWaalsContact O-CB 3.29Å; A58-L62 WeakPolarHBondContact O-CB 3.3Å; A58-L62 PolarHBondContact O-N 3.15Å
59L94.8Very high91.3Very high47 Ų4756 Ų5625%0.24632%0.317CS..Hα-helixtrans-64.5-44.8176.5-172.768.6000111.8I55 A56 L57 L62 G63 M89 V92I55-L59 WeakPolarHBondContact O-CB 3.11Å; I55-L59 PolarHBondContact O-N 2.91Å; A56-L59 WeakPolarHBondContact O-CB 3.35Å; A56-L59 PolarHBondContact O-N 2.98Å; L57-L59 VanDerWaalsContact C-N 3.34Å; L59-L62 PolarHBondContact O-N 2.82Å; L59-G63 PolarHBondContact O-N 3.35Å; L59-M89 HydrophobicContact CD1-CB 4.18Å; L59-M89 HydrophobicContact CD1-CG 3.98Å; L59-M89 HydrophobicContact CD1-SD 4.47Å; L59-M89 HydrophobicContact CG-CB 4.2Å; L59-V92 HydrophobicContact CD2-CB 4.27Å; L59-V92 HydrophobicContact CD2-CG1 4Å
60I95.3Very high90.1Very high35 Ų3563.6 Ų63.618%0.17935%0.345CS..Hα-helixtrans-61.3-48.5173.9-64.7169.4000109.9A56 L57 L62 G63 V64 F90 V97A56-I60 WeakPolarHBondContact O-CG1 3.48Å; A56-I60 PolarHBondContact O-N 2.92Å; L57-I60 PolarHBondContact O-N 3.03Å; I60-L62 VanDerWaalsContact C-N 3.33Å; I60-L62 PolarHBondContact O-N 3.39Å; I60-G63 PolarHBondContact O-N 3.49Å; I60-V64 HydrophobicContact CG2-CG2 4.42Å; I60-V64 WeakPolarHBondContact O-CG2 3.45Å; I60-V64 PolarHBondContact O-N 3.07Å; I60-F90 HydrophobicContact CG2-CD2 3.99Å; I60-F90 HydrophobicContact CG2-CE2 4.18Å; I60-V97 HydrophobicContact CD1-CG2 3.86Å
61G94Very high88.8Confident38 Ų3864 Ų6439%0.39234%0.342SS..Hα-helixtrans-58.6-43.8179.200000112.3L57 A58 V64 F65L57-G61 PolarHBondContact O-N 3.43Å; A58-G61 PolarHBondContact O-N 3.42Å; G61-V64 PolarHBondContact O-N 3.01Å; G61-F65 WeakPolarHBondContact O-CB 3.3Å; G61-F65 PolarHBondContact O-N 2.95Å
62L91.7Very high87.4Confident82 Ų8263 Ų6343%0.42934%0.339SS..Hα-helixtrans-64.6-44.9175.4-178.363.2000111.6A58 L59 I60 V64 F65 L66 M89A58-L62 VanDerWaalsContact O-CB 3.29Å; A58-L62 WeakPolarHBondContact O-CB 3.3Å; A58-L62 PolarHBondContact O-N 3.15Å; L59-L62 PolarHBondContact O-N 2.82Å; I60-L62 VanDerWaalsContact C-N 3.33Å; I60-L62 PolarHBondContact O-N 3.39Å; L62-V64 PolarHBondContact O-N 3.32Å; L62-F65 WeakPolarHBondContact O-CB 3.29Å; L62-F65 PolarHBondContact O-N 3.49Å; L62-L66 HydrophobicContact CD1-CD1 4.02Å; L62-L66 HydrophobicContact CD1-CG 4.04Å; L62-L66 HydrophobicContact CG-CD1 3.9Å; L62-L66 HydrophobicContact CG-CG 4.32Å; L62-L66 WeakPolarHBondContact O-CB 3.31Å; L62-L66 VanDerWaalsContact O-CG 3.25Å; L62-L66 WeakPolarHBondContact O-CG 3.45Å; L62-L66 PolarHBondContact O-N 2.92Å; L62-M89 HydrophobicContact CD2-SD 4.41Å; L62-M89 HydrophobicContact CG-SD 4.4Å
63G89.4Confident86.3Confident0 Ų065.5 Ų65.50%035%0.35CS..Hα-helixtrans-58.5-45.8176.500000112.2L59 I60 L66 L67L59-G63 PolarHBondContact O-N 3.35Å; I60-G63 PolarHBondContact O-N 3.49Å; G63-L66 PolarHBondContact O-N 3.5Å; G63-L67 VanDerWaalsContact O-CG 3.32Å; G63-L67 WeakPolarHBondContact O-CG 3.17Å; G63-L67 PolarHBondContact O-N 2.99Å; G63-L67 VanDerWaalsContact O-N 3.12Å
64V89.8Confident85Confident65 Ų6564.4 Ų64.439%0.39434%0.344SS..Hα-helixtrans-64.9-44.7175.1174.50000111I60 G61 L62 L66 L67 V68 F90I60-V64 HydrophobicContact CG2-CG2 4.42Å; I60-V64 WeakPolarHBondContact O-CG2 3.45Å; I60-V64 PolarHBondContact O-N 3.07Å; G61-V64 PolarHBondContact O-N 3.01Å; L62-V64 PolarHBondContact O-N 3.32Å; V64-L66 VanDerWaalsContact C-N 3.32Å; V64-L66 PolarHBondContact O-N 3.29Å; V64-L67 PolarHBondContact O-N 2.68Å; V64-V68 HydrophobicContact CG1-CG2 4.26Å; V64-V68 WeakPolarHBondContact O-CG2 3.18Å; V64-V68 PolarHBondContact O-N 3.27Å; V64-F90 HydrophobicContact CG2-CD2 4.39Å
65F89.3Confident83.8Confident99 Ų9960.2 Ų60.243%0.43433%0.327SS..Hα-helixtrans-57.6-44.7178.4176.5-93.4000111.8G61 L62 L67 V68 I69 L71G61-F65 WeakPolarHBondContact O-CB 3.3Å; G61-F65 PolarHBondContact O-N 2.95Å; L62-F65 WeakPolarHBondContact O-CB 3.29Å; L62-F65 PolarHBondContact O-N 3.49Å; F65-L67 VanDerWaalsContact C-N 3.34Å; F65-V68 PolarHBondContact O-N 3.34Å; F65-I69 HydrophobicContact CD2-CD1 3.88Å; F65-I69 HydrophobicContact CD2-CG1 4.12Å; F65-I69 HydrophobicContact CE1-CB 4.35Å; F65-I69 HydrophobicContact CE1-CD1 4.36Å; F65-I69 HydrophobicContact CE2-CD1 3.2Å; F65-I69 HydrophobicContact CE2-CG1 3.89Å; F65-I69 HydrophobicContact CZ-CB 4.31Å; F65-I69 HydrophobicContact CZ-CD1 3.5Å; F65-I69 VanDerWaalsContact CZ-CD1 3.5Å; F65-I69 HydrophobicContact CZ-CG1 4.15Å; F65-I69 WeakPolarHBondContact O-CA 3.49Å; F65-I69 WeakPolarHBondContact O-CB 3.35Å; F65-I69 PolarHBondContact O-N 2.94Å; F65-L71 HydrophobicContact CE1-CD1 4.42Å
66L84.8Confident82.7Confident20 Ų2056.6 Ų56.611%0.10531%0.308CS..Hα-helixtrans-72.5-25.5179.5-66171.8000113.4L62 G63 V64 I69 L71 H86 M89L62-L66 HydrophobicContact CD1-CD1 4.02Å; L62-L66 HydrophobicContact CD1-CG 4.04Å; L62-L66 HydrophobicContact CG-CD1 3.9Å; L62-L66 HydrophobicContact CG-CG 4.32Å; L62-L66 WeakPolarHBondContact O-CB 3.31Å; L62-L66 VanDerWaalsContact O-CG 3.25Å; L62-L66 WeakPolarHBondContact O-CG 3.45Å; L62-L66 PolarHBondContact O-N 2.92Å; G63-L66 PolarHBondContact O-N 3.5Å; V64-L66 VanDerWaalsContact C-N 3.32Å; V64-L66 PolarHBondContact O-N 3.29Å; L66-I69 CarbonylContact C-O 3.6Å; L66-I69 VanDerWaalsContact O-O 3.05Å; L66-L71 HydrophobicContact CD2-CD1 3.42Å; L66-L71 VanDerWaalsContact CD2-CD1 3.42Å; L66-L71 HydrophobicContact CD2-CG 4.15Å; L66-H86 WeakPolarHBondContact CB-CD2 3.32Å; L66-H86 VanDerWaalsContact CB-NE2 3.33Å; L66-H86 WeakPolarHBondContact CB-NE2 3.35Å; L66-M89 HydrophobicContact CD1-CE 4.36Å; L66-M89 HydrophobicContact CD1-SD 4.11Å
67L80.8Confident81.5Confident78 Ų7858 Ų5841%0.40832%0.316SS..Hα-helixtrans-71.7-41.1171.2-74.5169.4000111.9G63 V64 F65 H86G63-L67 VanDerWaalsContact O-CG 3.32Å; G63-L67 WeakPolarHBondContact O-CG 3.17Å; G63-L67 PolarHBondContact O-N 2.99Å; G63-L67 VanDerWaalsContact O-N 3.12Å; V64-L67 PolarHBondContact O-N 2.68Å; F65-L67 VanDerWaalsContact C-N 3.34Å; L67-H86 HydrophobicContact CD1-CB 4.44Å; L67-H86 HydrophobicContact CD2-CB 3.7Å; L67-H86 HydrophobicContact CG-CB 3.8Å
68V83.5Confident80.3Confident111 Ų11156.2 Ų56.267%0.67331%0.306SS*.Hα-helixtrans-77.4-54.9-178.2174.50000110.5V64 F65 R70V64-V68 HydrophobicContact CG1-CG2 4.26Å; V64-V68 WeakPolarHBondContact O-CG2 3.18Å; V64-V68 PolarHBondContact O-N 3.27Å; F65-V68 PolarHBondContact O-N 3.34Å; V68-R70 PolarHBondContact O-N 3.07Å
69I74.1Confident79.1Confident76 Ų7654.2 Ų54.239%0.3929%0.292SS..SBendtrans-86.992.8175-50.7-156.2000106.1F65 L66 L71F65-I69 HydrophobicContact CD2-CD1 3.88Å; F65-I69 HydrophobicContact CD2-CG1 4.12Å; F65-I69 HydrophobicContact CE1-CB 4.35Å; F65-I69 HydrophobicContact CE1-CD1 4.36Å; F65-I69 HydrophobicContact CE2-CD1 3.2Å; F65-I69 HydrophobicContact CE2-CG1 3.89Å; F65-I69 HydrophobicContact CZ-CB 4.31Å; F65-I69 HydrophobicContact CZ-CD1 3.5Å; F65-I69 VanDerWaalsContact CZ-CD1 3.5Å; F65-I69 HydrophobicContact CZ-CG1 4.15Å; F65-I69 WeakPolarHBondContact O-CA 3.49Å; F65-I69 WeakPolarHBondContact O-CB 3.35Å; F65-I69 PolarHBondContact O-N 2.94Å; L66-I69 CarbonylContact C-O 3.6Å; L66-I69 VanDerWaalsContact O-O 3.05Å; I69-L71 HydrophobicContact CG2-CD2 3.81Å; I69-L71 HydrophobicContact CG2-CG 4.2Å; I69-L71 PolarHBondContact O-N 3.47Å
70R68Low78Confident162 Ų16260 Ų6061%0.61132%0.318SS*.  trans-60.974.3172.1-64-65.8-170.9111.70.9109.6V68 P72 Y83V68-R70 PolarHBondContact O-N 3.07Å; R70-P72 WeakPolarHBondContact O-CD 3.44Å; R70-Y83 PolarHBondContact NH1-OH 2.96Å
71L67.5Low77Confident46 Ų4661.4 Ų61.424%0.24133%0.325CS..  trans-60109175.3-73.7-175.6000106.3F65 L66 I69 F73 V74 P75F65-L71 HydrophobicContact CE1-CD1 4.42Å; L66-L71 HydrophobicContact CD2-CD1 3.42Å; L66-L71 VanDerWaalsContact CD2-CD1 3.42Å; L66-L71 HydrophobicContact CD2-CG 4.15Å; I69-L71 HydrophobicContact CG2-CD2 3.81Å; I69-L71 HydrophobicContact CG2-CG 4.2Å; I69-L71 PolarHBondContact O-N 3.47Å; L71-F73 HydrophobicContact CB-CD1 4.1Å; L71-F73 HydrophobicContact CB-CE1 3.61Å; L71-F73 HydrophobicContact CB-CZ 3.84Å; L71-F73 HydrophobicContact CD1-CE1 3.85Å; L71-F73 HydrophobicContact CD1-CE2 4.49Å; L71-F73 HydrophobicContact CD1-CZ 3.52Å; L71-F73 HydrophobicContact CD2-CE1 4.01Å; L71-F73 HydrophobicContact CG-CE1 4.02Å; L71-F73 HydrophobicContact CG-CZ 4.16Å; L71-F73 PolarHBondContact O-N 3.28Å; L71-F73 VanDerWaalsContact O-N 3.08Å; L71-V74 HydrophobicContact CB-CG2 4.03Å; L71-V74 PolarHBondContact O-N 3.32Å; L71-V74 VanDerWaalsContact O-N 3.16Å; L71-P75 WeakPolarHBondContact O-CD 3.32Å
72P64.9Low76.2Confident43 Ų4359.6 Ų59.628%0.27931%0.306SS..THydrogen-bonded Turntrans-68.7-21.6-16027.9-36.2000111.3R70 P75 V76 G165 A169R70-P72 WeakPolarHBondContact O-CD 3.44Å; P72-P75 VanDerWaalsContact O-CD 3.31Å; P72-P75 WeakPolarHBondContact O-CD 3.39Å; P72-P75 WeakPolarHBondContact O-CG 3.45Å; P72-V76 WeakPolarHBondContact O-CG2 3.23Å; P72-G165 WeakPolarHBondContact CB-O 3.39Å; P72-A169 HydrophobicContact CB-CB 3.67Å; P72-A169 HydrophobicContact CG-CB 4.08Å; P72-A169 WeakPolarHBondContact O-CB 3.38Å
73F69.3Low75.5Confident75 Ų7560.9 Ų60.933%0.32931%0.306SS..Hα-helixtrans-70.4-31.6179.759.9-96.2000113.4L71 V76 L77 A169 I173L71-F73 HydrophobicContact CB-CD1 4.1Å; L71-F73 HydrophobicContact CB-CE1 3.61Å; L71-F73 HydrophobicContact CB-CZ 3.84Å; L71-F73 HydrophobicContact CD1-CE1 3.85Å; L71-F73 HydrophobicContact CD1-CE2 4.49Å; L71-F73 HydrophobicContact CD1-CZ 3.52Å; L71-F73 HydrophobicContact CD2-CE1 4.01Å; L71-F73 HydrophobicContact CG-CE1 4.02Å; L71-F73 HydrophobicContact CG-CZ 4.16Å; L71-F73 PolarHBondContact O-N 3.28Å; L71-F73 VanDerWaalsContact O-N 3.08Å; F73-V76 PolarHBondContact O-N 2.88Å; F73-L77 WeakPolarHBondContact O-CD1 3.34Å; F73-L77 PolarHBondContact O-N 3.44Å; F73-L77 VanDerWaalsContact O-N 3.12Å; F73-A169 HydrophobicContact CB-CB 4.29Å; F73-I173 HydrophobicContact CB-CD1 4.12Å; F73-I173 HydrophobicContact CB-CG1 4.23Å
74V69.7Low75.2Confident19 Ų1965.4 Ų65.412%0.11533%0.33CS..Hα-helixtrans-63.8-52.3-178-173.30000112.1L71 V76 L77 L78 A82L71-V74 HydrophobicContact CB-CG2 4.03Å; L71-V74 PolarHBondContact O-N 3.32Å; L71-V74 VanDerWaalsContact O-N 3.16Å; V74-V76 PolarHBondContact O-N 3.46Å; V74-L77 PolarHBondContact O-N 3.42Å; V74-L78 HydrophobicContact CG1-CD1 3.75Å; V74-L78 PolarHBondContact O-N 3.24Å; V74-A82 HydrophobicContact CG1-CB 3.94Å
75P70.4Confident74.9Confident40 Ų4064.1 Ų64.126%0.2632%0.324SS..Hα-helixtrans-67-24.1175.527.9-34.2000112.7L71 P72 G79 A82L71-P75 WeakPolarHBondContact O-CD 3.32Å; P72-P75 VanDerWaalsContact O-CD 3.31Å; P72-P75 WeakPolarHBondContact O-CD 3.39Å; P72-P75 WeakPolarHBondContact O-CG 3.45Å; P75-G79 WeakPolarHBondContact O-CA 3.45Å; P75-G79 PolarHBondContact O-N 2.82Å; P75-A82 HydrophobicContact CB-CB 4.3Å
76V70.9Confident74.7Confident0 Ų059.9 Ų59.90%031%0.306CS..Hα-helixtrans-67.3-43.5176164.50000112.2P72 F73 V74 L151 T154 V166 A169 V170 I173P72-V76 WeakPolarHBondContact O-CG2 3.23Å; F73-V76 PolarHBondContact O-N 2.88Å; V74-V76 PolarHBondContact O-N 3.46Å; V76-L151 HydrophobicContact CG1-CD1 3.75Å; V76-T154 HydrophobicContact CB-CG2 4.3Å; V76-T154 HydrophobicContact CG1-CG2 3.96Å; V76-T154 HydrophobicContact CG2-CG2 4.2Å; V76-T154 PolarHBondContact O-OG1 3.41Å; V76-V166 HydrophobicContact CG2-CB 4.2Å; V76-V166 HydrophobicContact CG2-CG1 4.01Å; V76-V166 HydrophobicContact CG2-CG2 4.15Å; V76-A169 HydrophobicContact CB-CB 4.16Å; V76-A169 HydrophobicContact CG2-CB 3.54Å; V76-V170 HydrophobicContact CG1-CG2 3.82Å; V76-V170 HydrophobicContact CG2-CG2 4.5Å; V76-I173 HydrophobicContact CG1-CD1 4.03Å
77L69.9Low74.8Confident30 Ų3064.8 Ų64.816%0.15733%0.326CS..Hα-helixtrans-78.2-41.6179.8-84.6133.1000113.1F73 V74 I173 I242F73-L77 WeakPolarHBondContact O-CD1 3.34Å; F73-L77 PolarHBondContact O-N 3.44Å; F73-L77 VanDerWaalsContact O-N 3.12Å; V74-L77 PolarHBondContact O-N 3.42Å; L77-I173 HydrophobicContact CD1-CD1 3.67Å; L77-I173 HydrophobicContact CD1-CG1 4.48Å; L77-I173 HydrophobicContact CG-CD1 4.29Å; L77-I242 HydrophobicContact CD2-CD1 4.24Å
78L71.8Confident75.3Confident52 Ų5265.2 Ų65.227%0.27233%0.328SS..Hα-helixtrans-100.3-11.2-172.6-69.4126.2000113.4V74 I81 A82V74-L78 HydrophobicContact CG1-CD1 3.75Å; V74-L78 PolarHBondContact O-N 3.24Å; L78-I81 HydrophobicContact CD2-CG2 4.41Å; L78-I81 WeakPolarHBondContact O-CB 3.39Å; L78-I81 PolarHBondContact O-N 3.44Å; L78-A82 HydrophobicContact CB-CB 4.03Å
79G71.5Confident75.7Confident21 Ų2162 Ų6222%0.21631%0.307CS..THydrogen-bonded Turntrans59.1-141.8-173.100000111.8P75 I81 A82P75-G79 WeakPolarHBondContact O-CA 3.45Å; P75-G79 PolarHBondContact O-N 2.82Å; G79-I81 PolarHBondContact O-N 2.87Å; G79-I81 VanDerWaalsContact O-N 3.12Å; G79-A82 WeakPolarHBondContact O-CB 3.26Å; G79-A82 PolarHBondContact O-N 3.26Å
80E71.3Confident76.5Confident169 Ų16963.5 Ų63.579%0.7931%0.31SS*.THydrogen-bonded Turntrans-59.4-22.9176.5-62.4-176.5163.100113.5A82 Y83E80-A82 PolarHBondContact O-N 2.92Å; E80-Y83 PolarHBondContact O-N 3.45Å; E80-Y83 VanDerWaalsContact O-N 3.14Å
81I75.2Confident77.7Confident63 Ų6358.3 Ų58.332%0.32330%0.297SS..Hα-helixtrans-68-19.2177.8-64155.1000111.1L78 G79 Y83 L84 S85 W146L78-I81 HydrophobicContact CD2-CG2 4.41Å; L78-I81 WeakPolarHBondContact O-CB 3.39Å; L78-I81 PolarHBondContact O-N 3.44Å; G79-I81 PolarHBondContact O-N 2.87Å; G79-I81 VanDerWaalsContact O-N 3.12Å; I81-Y83 VanDerWaalsContact C-N 3.33Å; I81-Y83 PolarHBondContact O-N 2.86Å; I81-L84 PolarHBondContact O-N 3.15Å; I81-S85 WeakPolarHBondContact O-CB 3.18Å; I81-S85 PolarHBondContact O-N 2.97Å; I81-W146 HydrophobicContact CD1-CH2 3.26Å; I81-W146 HydrophobicContact CD1-CZ2 3.27Å
82A75.6Confident79Confident1 Ų159.4 Ų59.41%0.00831%0.305CS..Hα-helixtrans-56.1-48.1169.800000111.2V74 P75 L78 G79 E80 L84 S85 H86V74-A82 HydrophobicContact CG1-CB 3.94Å; P75-A82 HydrophobicContact CB-CB 4.3Å; L78-A82 HydrophobicContact CB-CB 4.03Å; G79-A82 WeakPolarHBondContact O-CB 3.26Å; G79-A82 PolarHBondContact O-N 3.26Å; E80-A82 PolarHBondContact O-N 2.92Å; A82-L84 VanDerWaalsContact C-N 3.3Å; A82-L84 PolarHBondContact O-N 2.9Å; A82-S85 WeakPolarHBondContact O-CB 3.37Å; A82-S85 PolarHBondContact O-N 3.3Å; A82-S85 VanDerWaalsContact O-N 3.14Å; A82-H86 PolarHBondContact O-CE1 3.2Å; A82-H86 VanDerWaalsContact O-CE1 3.3Å; A82-H86 PolarHBondContact O-N 3.48Å; A82-H86 PolarHBondContact O-ND1 3.48Å
83Y77.2Confident80.4Confident108 Ų10857.3 Ų57.342%0.42429%0.292SS..Hα-helixtrans-63-39.5180-60.3-69.5000111.8R70 E80 I81 H86 F87R70-Y83 PolarHBondContact NH1-OH 2.96Å; E80-Y83 PolarHBondContact O-N 3.45Å; E80-Y83 VanDerWaalsContact O-N 3.14Å; I81-Y83 VanDerWaalsContact C-N 3.33Å; I81-Y83 PolarHBondContact O-N 2.86Å; Y83-H86 PolarHBondContact O-N 3.2Å; Y83-F87 PolarHBondContact O-N 2.93Å; Y83-F87 VanDerWaalsContact O-N 3.09Å
84L83.9Confident81.7Confident96 Ų9655.1 Ų55.150%0.50329%0.29SS..Hα-helixtrans-62.3-44.1174.4-173.863.7000111.1I81 A82 H86 F87 L88I81-L84 PolarHBondContact O-N 3.15Å; A82-L84 VanDerWaalsContact C-N 3.3Å; A82-L84 PolarHBondContact O-N 2.9Å; L84-H86 PolarHBondContact O-N 2.63Å; L84-F87 PolarHBondContact O-N 3.35Å; L84-L88 HydrophobicContact CG-CD1 4.12Å; L84-L88 HydrophobicContact CG-CG 4.42Å; L84-L88 WeakPolarHBondContact O-CB 3.44Å; L84-L88 VanDerWaalsContact O-CG 3.23Å; L84-L88 WeakPolarHBondContact O-CG 3.25Å; L84-L88 PolarHBondContact O-N 3.14Å
85S83.9Confident83Confident38 Ų3859.9 Ų59.927%0.26631%0.314SS..Hα-helixtrans-58.5-48177.5-179.30000112.1I81 A82 F87 L88 M89I81-S85 WeakPolarHBondContact O-CB 3.18Å; I81-S85 PolarHBondContact O-N 2.97Å; A82-S85 WeakPolarHBondContact O-CB 3.37Å; A82-S85 PolarHBondContact O-N 3.3Å; A82-S85 VanDerWaalsContact O-N 3.14Å; S85-F87 PolarHBondContact O-N 3.42Å; S85-L88 PolarHBondContact O-N 2.91Å; S85-M89 WeakPolarHBondContact O-CG 3.35Å; S85-M89 PolarHBondContact O-N 3.45Å
86H85.1Confident84.2Confident10 Ų1059.5 Ų59.55%0.04631%0.31CS..Hα-helixtrans-63.7-40.9178.8-56.6121.8000112.7L66 L67 A82 Y83 L84 M89 F90L66-H86 WeakPolarHBondContact CB-CD2 3.32Å; L66-H86 VanDerWaalsContact CB-NE2 3.33Å; L66-H86 WeakPolarHBondContact CB-NE2 3.35Å; L67-H86 HydrophobicContact CD1-CB 4.44Å; L67-H86 HydrophobicContact CD2-CB 3.7Å; L67-H86 HydrophobicContact CG-CB 3.8Å; A82-H86 PolarHBondContact O-CE1 3.2Å; A82-H86 VanDerWaalsContact O-CE1 3.3Å; A82-H86 PolarHBondContact O-N 3.48Å; A82-H86 PolarHBondContact O-ND1 3.48Å; Y83-H86 PolarHBondContact O-N 3.2Å; L84-H86 PolarHBondContact O-N 2.63Å; H86-M89 PolarHBondContact O-N 2.93Å; H86-F90 PolarHBondContact O-N 2.93Å
87F87.2Confident85.4Confident123 Ų12361 Ų6154%0.53932%0.319SS..Hα-helixtrans-63.3-42.5174.7179.2-101.7000111.6Y83 L84 S85 M89 F90 V91Y83-F87 PolarHBondContact O-N 2.93Å; Y83-F87 VanDerWaalsContact O-N 3.09Å; L84-F87 PolarHBondContact O-N 3.35Å; S85-F87 PolarHBondContact O-N 3.42Å; F87-M89 VanDerWaalsContact C-N 3.34Å; F87-M89 PolarHBondContact O-N 2.99Å; F87-F90 WeakPolarHBondContact O-CB 3.38Å; F87-F90 PolarHBondContact O-N 3.05Å; F87-V91 HydrophobicContact CD1-CG2 4.07Å; F87-V91 HydrophobicContact CE1-CG2 3.59Å; F87-V91 HydrophobicContact CE2-CG2 4.15Å; F87-V91 HydrophobicContact CZ-CG2 3.64Å; F87-V91 WeakPolarHBondContact O-CG2 3.38Å; F87-V91 PolarHBondContact O-N 3.37Å
88L90.7Very high86.7Confident86 Ų8663.5 Ų63.545%0.4534%0.335SS..Hα-helixtrans-61.8-39.1176.1-72.8174.9000112.1L84 S85 F90 V91 V92L84-L88 HydrophobicContact CG-CD1 4.12Å; L84-L88 HydrophobicContact CG-CG 4.42Å; L84-L88 WeakPolarHBondContact O-CB 3.44Å; L84-L88 VanDerWaalsContact O-CG 3.23Å; L84-L88 WeakPolarHBondContact O-CG 3.25Å; L84-L88 PolarHBondContact O-N 3.14Å; S85-L88 PolarHBondContact O-N 2.91Å; L88-F90 VanDerWaalsContact C-N 3.3Å; L88-F90 PolarHBondContact O-N 3.32Å; L88-V91 PolarHBondContact O-N 2.84Å; L88-V92 WeakPolarHBondContact O-CB 3.35Å; L88-V92 VanDerWaalsContact O-CG2 3.26Å; L88-V92 WeakPolarHBondContact O-CG2 3.47Å; L88-V92 PolarHBondContact O-N 2.98Å
89M91.8Very high87.9Confident44 Ų4461.2 Ų61.222%0.21732%0.324CS..Hα-helixtrans-57.9-43.2174.2-69.6-178.3178.800111.9L59 L62 L66 S85 H86 F87 G93L59-M89 HydrophobicContact CD1-CB 4.18Å; L59-M89 HydrophobicContact CD1-CG 3.98Å; L59-M89 HydrophobicContact CD1-SD 4.47Å; L59-M89 HydrophobicContact CG-CB 4.2Å; L62-M89 HydrophobicContact CD2-SD 4.41Å; L62-M89 HydrophobicContact CG-SD 4.4Å; L66-M89 HydrophobicContact CD1-CE 4.36Å; L66-M89 HydrophobicContact CD1-SD 4.11Å; S85-M89 WeakPolarHBondContact O-CG 3.35Å; S85-M89 PolarHBondContact O-N 3.45Å; H86-M89 PolarHBondContact O-N 2.93Å; F87-M89 VanDerWaalsContact C-N 3.34Å; F87-M89 PolarHBondContact O-N 2.99Å; M89-G93 PolarHBondContact O-N 3.24Å
90F90.8Very high89.1Confident108 Ų10860.3 Ų60.347%0.47431%0.314SS..Hα-helixtrans-64.3-47.5177-178.2-95.1000112I60 V64 H86 F87 L88 G94I60-F90 HydrophobicContact CG2-CD2 3.99Å; I60-F90 HydrophobicContact CG2-CE2 4.18Å; V64-F90 HydrophobicContact CG2-CD2 4.39Å; H86-F90 PolarHBondContact O-N 2.93Å; F87-F90 WeakPolarHBondContact O-CB 3.38Å; F87-F90 PolarHBondContact O-N 3.05Å; L88-F90 VanDerWaalsContact C-N 3.3Å; L88-F90 PolarHBondContact O-N 3.32Å; F90-G94 PolarHBondContact O-N 2.92Å
91V92.9Very high90.3Very high53 Ų5356.4 Ų56.432%0.32130%0.298SS..Hα-helixtrans-64.7-50.4-179.3174.40000111.3F87 L88 G93 G94 L95F87-V91 HydrophobicContact CD1-CG2 4.07Å; F87-V91 HydrophobicContact CE1-CG2 3.59Å; F87-V91 HydrophobicContact CE2-CG2 4.15Å; F87-V91 HydrophobicContact CZ-CG2 3.64Å; F87-V91 WeakPolarHBondContact O-CG2 3.38Å; F87-V91 PolarHBondContact O-N 3.37Å; L88-V91 PolarHBondContact O-N 2.84Å; V91-G93 PolarHBondContact O-N 3.39Å; V91-G94 PolarHBondContact O-N 3.34Å; V91-L95 HydrophobicContact CG1-CD1 4.21Å; V91-L95 WeakPolarHBondContact O-CG 3.34Å; V91-L95 PolarHBondContact O-N 2.91Å
92V94.3Very high91.3Very high68 Ų6855.2 Ų55.241%0.41229%0.291SS..Hα-helixtrans-62.6-45.3179.9173.20000110.4L59 L88 G94 L95 L96L59-V92 HydrophobicContact CD2-CB 4.27Å; L59-V92 HydrophobicContact CD2-CG1 4Å; L88-V92 WeakPolarHBondContact O-CB 3.35Å; L88-V92 VanDerWaalsContact O-CG2 3.26Å; L88-V92 WeakPolarHBondContact O-CG2 3.47Å; L88-V92 PolarHBondContact O-N 2.98Å; V92-G94 VanDerWaalsContact C-N 3.35Å; V92-G94 PolarHBondContact O-N 3.22Å; V92-L95 PolarHBondContact O-N 3.45Å; V92-L96 HydrophobicContact CG1-CD1 4.16Å; V92-L96 HydrophobicContact CG1-CG 4.48Å; V92-L96 WeakPolarHBondContact O-CG 3.34Å; V92-L96 PolarHBondContact O-N 3.28Å
93G95.9Very high92.2Very high0 Ų055.1 Ų55.10%029%0.291CS..Hα-helixtrans-59.3-44.3176.100000112.4M89 V91 L95 L96 V97M89-G93 PolarHBondContact O-N 3.24Å; V91-G93 PolarHBondContact O-N 3.39Å; G93-L95 PolarHBondContact O-N 3.17Å; G93-L96 PolarHBondContact O-N 3.5Å; G93-V97 WeakPolarHBondContact O-CG2 3.25Å; G93-V97 PolarHBondContact O-N 2.99Å
94G95.9Very high93Very high28 Ų2852.3 Ų52.329%0.28928%0.281SS..Hα-helixtrans-61.1-43.6176.100000113.2F90 V91 V92 L96 V97 V98F90-G94 PolarHBondContact O-N 2.92Å; V91-G94 PolarHBondContact O-N 3.34Å; V92-G94 VanDerWaalsContact C-N 3.35Å; V92-G94 PolarHBondContact O-N 3.22Å; G94-L96 VanDerWaalsContact C-N 3.34Å; G94-L96 PolarHBondContact O-N 2.98Å; G94-V97 PolarHBondContact O-N 3.44Å; G94-V98 WeakPolarHBondContact O-CG2 3.34Å; G94-V98 PolarHBondContact O-N 3.02Å; G94-V98 VanDerWaalsContact O-N 3.07Å
95L95.9Very high93.5Very high119 Ų11950.9 Ų50.962%0.62327%0.273SS*.Hα-helixtrans-62.4-40.6175.7-69.8173.9000112V91 V92 G93 V98 A99V91-L95 HydrophobicContact CG1-CD1 4.21Å; V91-L95 WeakPolarHBondContact O-CG 3.34Å; V91-L95 PolarHBondContact O-N 2.91Å; V92-L95 PolarHBondContact O-N 3.45Å; G93-L95 PolarHBondContact O-N 3.17Å; L95-V98 PolarHBondContact O-N 2.93Å; L95-A99 WeakPolarHBondContact O-CB 3.39Å; L95-A99 PolarHBondContact O-N 2.84Å
96L96.1Very high93.9Very high33 Ų3349 Ų4917%0.17326%0.26CS..Hα-helixtrans-65.3-38.8175.8-70.5175000112.3A56 V92 G93 G94 A99 C100 I125A56-L96 HydrophobicContact CB-CB 3.58Å; A56-L96 HydrophobicContact CB-CD1 4.35Å; V92-L96 HydrophobicContact CG1-CD1 4.16Å; V92-L96 HydrophobicContact CG1-CG 4.48Å; V92-L96 WeakPolarHBondContact O-CG 3.34Å; V92-L96 PolarHBondContact O-N 3.28Å; G93-L96 PolarHBondContact O-N 3.5Å; G94-L96 VanDerWaalsContact C-N 3.34Å; G94-L96 PolarHBondContact O-N 2.98Å; L96-A99 PolarHBondContact O-N 3.29Å; L96-C100 PolarHBondContact O-N 3.44Å; L96-C100 PolarHBondContact O-SG 2.85Å; L96-I125 HydrophobicContact CD2-CD1 3.59Å
97V97.6Very high94.2Very high31 Ų3148.6 Ų48.619%0.18826%0.258CS..Hα-helixtrans-60.5-46.5173.81710000110.7L53 A56 L57 I60 G93 G94 A99 C100 I101L53-V97 HydrophobicContact CD1-CB 4.38Å; L53-V97 HydrophobicContact CD1-CG1 4.19Å; L53-V97 HydrophobicContact CD1-CG2 4.01Å; A56-V97 HydrophobicContact CB-CG2 3.92Å; L57-V97 HydrophobicContact CD2-CG2 4.11Å; I60-V97 HydrophobicContact CD1-CG2 3.86Å; G93-V97 WeakPolarHBondContact O-CG2 3.25Å; G93-V97 PolarHBondContact O-N 2.99Å; G94-V97 PolarHBondContact O-N 3.44Å; V97-A99 VanDerWaalsContact C-N 3.34Å; V97-A99 PolarHBondContact O-N 3.49Å; V97-C100 PolarHBondContact O-N 3.3Å; V97-I101 HydrophobicContact CG1-CD1 3.98Å; V97-I101 WeakPolarHBondContact O-CG1 3.18Å; V97-I101 PolarHBondContact O-N 3.39Å
98V96.8Very high94.2Very high82 Ų8246.1 Ų46.150%0.49726%0.256SS..Hα-helixtrans-60.7-44.4176.91740000111G94 L95 C100 I101 I102G94-V98 WeakPolarHBondContact O-CG2 3.34Å; G94-V98 PolarHBondContact O-N 3.02Å; G94-V98 VanDerWaalsContact O-N 3.07Å; L95-V98 PolarHBondContact O-N 2.93Å; V98-C100 VanDerWaalsContact C-N 3.32Å; V98-C100 PolarHBondContact O-N 2.97Å; V98-I101 PolarHBondContact O-N 3.27Å; V98-I102 HydrophobicContact CG1-CD1 4.1Å; V98-I102 WeakPolarHBondContact O-CG1 3.33Å; V98-I102 PolarHBondContact O-N 2.87Å
99A95.9Very high94.1Very high5 Ų549 Ų494%0.04127%0.265CS..Hα-helixtrans-59.1-42.8175.600000112L95 L96 V97 I102 G103 F118 I121L95-A99 WeakPolarHBondContact O-CB 3.39Å; L95-A99 PolarHBondContact O-N 2.84Å; L96-A99 PolarHBondContact O-N 3.29Å; V97-A99 VanDerWaalsContact C-N 3.34Å; V97-A99 PolarHBondContact O-N 3.49Å; A99-I102 PolarHBondContact O-N 3.24Å; A99-G103 PolarHBondContact O-N 2.94Å; A99-F118 WeakPolarHBondContact O-CD2 3.33Å; A99-I121 HydrophobicContact CB-CD1 4.32Å; A99-I121 HydrophobicContact CB-CG2 3.76Å
100C96.6Very high93.8Very high2 Ų247.8 Ų47.81%0.01426%0.264CS..Hα-helixtrans-64.2-40.9176.7-67.50000112.2T49 L53 L96 V97 V98 I102 G103 F104T49-C100 HydrophobicContact CG2-CB 3.86Å; T49-C100 WeakPolarHBondContact CG2-O 3.37Å; L53-C100 HydrophobicContact CB-CB 4.09Å; L53-C100 HydrophobicContact CD1-CB 4.15Å; L96-C100 PolarHBondContact O-N 3.44Å; L96-C100 PolarHBondContact O-SG 2.85Å; V97-C100 PolarHBondContact O-N 3.3Å; V98-C100 VanDerWaalsContact C-N 3.32Å; V98-C100 PolarHBondContact O-N 2.97Å; C100-I102 VanDerWaalsContact C-N 3.34Å; C100-I102 PolarHBondContact O-N 3.16Å; C100-G103 PolarHBondContact O-N 2.82Å; C100-F104 HydrophobicContact CB-CD2 4.47Å; C100-F104 HydrophobicContact CB-CE2 4.35Å; C100-F104 WeakPolarHBondContact O-CD2 3.35Å; C100-F104 PolarHBondContact O-N 2.97Å
101I96.6Very high93.7Very high86 Ų8647.8 Ų47.844%0.44126%0.264SS..Hα-helixtrans-60.5-45175.1-67.4165.4000110.4V97 V98 G103 F104 I105V97-I101 HydrophobicContact CG1-CD1 3.98Å; V97-I101 WeakPolarHBondContact O-CG1 3.18Å; V97-I101 PolarHBondContact O-N 3.39Å; V98-I101 PolarHBondContact O-N 3.27Å; I101-G103 VanDerWaalsContact C-N 3.33Å; I101-G103 PolarHBondContact O-N 2.82Å; I101-F104 PolarHBondContact O-N 3.45Å; I101-I105 HydrophobicContact CG2-CD1 3.68Å; I101-I105 HydrophobicContact CG2-CG1 4.4Å; I101-I105 WeakPolarHBondContact O-CB 3.41Å; I101-I105 VanDerWaalsContact O-CG1 3.25Å; I101-I105 WeakPolarHBondContact O-CG1 3.45Å; I101-I105 PolarHBondContact O-N 3.5Å
102I96Very high93.5Very high38 Ų3847 Ų4720%0.19526%0.261CS..Hα-helixtrans-59.7-45.5175.2-65.6166.9000110.3V98 A99 C100 I105 G106 L114 T117 F118 I121V98-I102 HydrophobicContact CG1-CD1 4.1Å; V98-I102 WeakPolarHBondContact O-CG1 3.33Å; V98-I102 PolarHBondContact O-N 2.87Å; A99-I102 PolarHBondContact O-N 3.24Å; C100-I102 VanDerWaalsContact C-N 3.34Å; C100-I102 PolarHBondContact O-N 3.16Å; I102-I105 PolarHBondContact O-N 3.3Å; I102-G106 PolarHBondContact O-N 2.88Å; I102-L114 HydrophobicContact CG2-CB 4.33Å; I102-L114 HydrophobicContact CG2-CD2 4.34Å; I102-L114 WeakPolarHBondContact CG2-O 3.39Å; I102-T117 HydrophobicContact CG2-CG2 4.34Å; I102-F118 HydrophobicContact CG2-CB 4.32Å; I102-I121 HydrophobicContact CD1-CD1 4.14Å
103G95Very high93.5Very high0 Ų049 Ų490%027%0.273CS..Hα-helixtrans-58.9-51.8176.700000112.6A99 C100 I101 I105 G106 V107A99-G103 PolarHBondContact O-N 2.94Å; C100-G103 PolarHBondContact O-N 2.82Å; I101-G103 VanDerWaalsContact C-N 3.33Å; I101-G103 PolarHBondContact O-N 2.82Å; G103-I105 PolarHBondContact O-N 2.91Å; G103-G106 PolarHBondContact O-N 3.38Å; G103-V107 VanDerWaalsContact O-CG2 3.3Å; G103-V107 WeakPolarHBondContact O-CG2 3.39Å; G103-V107 PolarHBondContact O-N 3.48Å
104F95Very high93.4Very high49 Ų4951.4 Ų51.422%0.21529%0.286CS..Hα-helixtrans-59.7-46.2178.1-77.2-57.6000112.8I46 T49 A50 L53 C100 I101 S108I46-F104 HydrophobicContact CG2-CD1 4.44Å; I46-F104 HydrophobicContact CG2-CE1 4Å; T49-F104 HydrophobicContact CG2-CD1 4.2Å; T49-F104 HydrophobicContact CG2-CD2 3.81Å; T49-F104 HydrophobicContact CG2-CE1 4.06Å; T49-F104 HydrophobicContact CG2-CE2 3.65Å; T49-F104 HydrophobicContact CG2-CG 4.08Å; T49-F104 HydrophobicContact CG2-CZ 3.8Å; A50-F104 HydrophobicContact CB-CE1 4.45Å; A50-F104 HydrophobicContact CB-CZ 3.92Å; L53-F104 HydrophobicContact CB-CE2 4.39Å; L53-F104 HydrophobicContact CD2-CE2 3.86Å; C100-F104 HydrophobicContact CB-CD2 4.47Å; C100-F104 HydrophobicContact CB-CE2 4.35Å; C100-F104 WeakPolarHBondContact O-CD2 3.35Å; C100-F104 PolarHBondContact O-N 2.97Å; I101-F104 PolarHBondContact O-N 3.45Å; F104-S108 WeakPolarHBondContact O-CB 3.46Å; F104-S108 PolarHBondContact O-N 3.44Å; F104-S108 PolarHBondContact O-OG 2.98Å
105I93.7Very high93.2Very high65 Ų6550.1 Ų50.133%0.33327%0.272SS..Hα-helixtrans-66.4-41.3177.9-62.8170.7000110.5I101 I102 G103 S108 K109 L114I101-I105 HydrophobicContact CG2-CD1 3.68Å; I101-I105 HydrophobicContact CG2-CG1 4.4Å; I101-I105 WeakPolarHBondContact O-CB 3.41Å; I101-I105 VanDerWaalsContact O-CG1 3.25Å; I101-I105 WeakPolarHBondContact O-CG1 3.45Å; I101-I105 PolarHBondContact O-N 3.5Å; I102-I105 PolarHBondContact O-N 3.3Å; G103-I105 PolarHBondContact O-N 2.91Å; I105-S108 PolarHBondContact O-N 3.23Å; I105-K109 HydrophobicContact CG2-CD 3.91Å; I105-K109 HydrophobicContact CG2-CG 4.26Å; I105-K109 WeakPolarHBondContact O-CB 3.26Å; I105-K109 PolarHBondContact O-N 3.43Å; I105-L114 HydrophobicContact CB-CD1 4.19Å; I105-L114 HydrophobicContact CG2-CD1 3.52Å
106G92.3Very high93.1Very high0 Ų048 Ų480%026%0.261CS..Hα-helixtrans-59.4-46.1178.400000112.4I102 G103 G110 K111I102-G106 PolarHBondContact O-N 2.88Å; G103-G106 PolarHBondContact O-N 3.38Å; G106-G110 CarbonylContact O-C 3.58Å; G106-G110 VanDerWaalsContact O-CA 3.3Å; G106-G110 WeakPolarHBondContact O-CA 3.32Å; G106-G110 PolarHBondContact O-N 3.31Å; G106-G110 VanDerWaalsContact O-N 3.11Å; G106-K111 PolarHBondContact O-N 3.48Å
107V90.8Very high93.1Very high0 Ų049.2 Ų49.20%027%0.27CS..Hα-helixtrans-74.1-40.9178.8179.10000111.9K42 L45 I46 G103 G110 L115K42-V107 HydrophobicContact CB-CG1 4.48Å; K42-V107 HydrophobicContact CG-CG1 3.61Å; L45-V107 HydrophobicContact CB-CG1 4.49Å; L45-V107 HydrophobicContact CB-CG2 3.92Å; L45-V107 HydrophobicContact CD1-CG2 4.06Å; I46-V107 HydrophobicContact CD1-CG1 4.03Å; I46-V107 HydrophobicContact CG1-CB 4.4Å; I46-V107 HydrophobicContact CG1-CG1 3.72Å; G103-V107 VanDerWaalsContact O-CG2 3.3Å; G103-V107 WeakPolarHBondContact O-CG2 3.39Å; G103-V107 PolarHBondContact O-N 3.48Å; V107-G110 PolarHBondContact O-N 2.93Å; V107-L115 HydrophobicContact CG2-CD1 3.83Å
108S88.2Confident92.9Very high72 Ų7247.9 Ų47.950%0.50326%0.262SS..Hα-helixtrans-70.5-42.7-177-59.30000112.7F104 I105 G110F104-S108 WeakPolarHBondContact O-CB 3.46Å; F104-S108 PolarHBondContact O-N 3.44Å; F104-S108 PolarHBondContact O-OG 2.98Å; I105-S108 PolarHBondContact O-N 3.23Å; S108-G110 VanDerWaalsContact C-N 3.34Å
109K88Confident92.8Very high145 Ų14544.1 Ų44.163%0.6324%0.239SC*.THydrogen-bonded Turntrans-89.70.3178.9-60.6-169.2176.8179.40113.1I105 K111I105-K109 HydrophobicContact CG2-CD 3.91Å; I105-K109 HydrophobicContact CG2-CG 4.26Å; I105-K109 WeakPolarHBondContact O-CB 3.26Å; I105-K109 PolarHBondContact O-N 3.43Å; K109-K111 HydrophobicContact CB-CD 4.38Å; K109-K111 HydrophobicContact CB-CG 3.98Å; K109-K111 PolarHBondContact O-N 2.91Å
110G85.3Confident92.8Very high19 Ų1951.2 Ų51.220%0.19627%0.265CS..THydrogen-bonded Turntrans52.337.5-174.600000112.8G106 V107 S108 K279G106-G110 CarbonylContact O-C 3.58Å; G106-G110 VanDerWaalsContact O-CA 3.3Å; G106-G110 WeakPolarHBondContact O-CA 3.32Å; G106-G110 PolarHBondContact O-N 3.31Å; G106-G110 VanDerWaalsContact O-N 3.11Å; V107-G110 PolarHBondContact O-N 2.93Å; S108-G110 VanDerWaalsContact C-N 3.34Å; G110-K279 WeakPolarHBondContact O-CE 3.45Å; G110-K279 PolarHBondContact O-NZ 3.29Å
111K88.7Confident92.8Very high108 Ų10853.4 Ų53.447%0.4728%0.276SS..  trans-88.5113.5-177.8-76.1-170.9173.8-169.70110.1G106 K109 T113 L114 L115G106-K111 PolarHBondContact O-N 3.48Å; K109-K111 HydrophobicContact CB-CD 4.38Å; K109-K111 HydrophobicContact CB-CG 3.98Å; K109-K111 PolarHBondContact O-N 2.91Å; K111-T113 VanDerWaalsContact C-N 3.33Å; K111-T113 PolarHBondContact O-N 2.85Å; K111-L114 HydrophobicContact CB-CB 4.25Å; K111-L114 HydrophobicContact CB-CD1 4.03Å; K111-L114 HydrophobicContact CB-CG 4.15Å; K111-L114 HydrophobicContact CD-CD1 3.87Å; K111-L114 HydrophobicContact CD-CG 4.47Å; K111-L114 PolarHBondContact O-N 2.99Å; K111-L115 PolarHBondContact O-N 2.96Å; K111-L115 VanDerWaalsContact O-N 3.13Å
112S89.5Confident92.7Very high36 Ų3649.6 Ų49.625%0.25226%0.257SS..Hα-helixtrans-63.2-39.4-173.4-66.90000111.9L114 L115 L116 S275 K279S112-L114 PolarHBondContact O-N 3.47Å; S112-L115 PolarHBondContact O-N 3.26Å; S112-L116 WeakPolarHBondContact O-CB 3.43Å; S112-L116 PolarHBondContact O-N 3.25Å; S112-S275 WeakPolarHBondContact CB-O 3.32Å; S112-S275 PolarHBondContact OG-O 2.95Å; S112-K279 WeakPolarHBondContact OG-CE 3.39Å; S112-K279 PolarHBondContact OG-NZ 3.27Å
113T92.7Very high92.7Very high111 Ų11151.5 Ų51.568%0.68126%0.264SS*.Hα-helixtrans-59.7-48.2178.5-45.20000111.8K111 L115 L116 T117K111-T113 VanDerWaalsContact C-N 3.33Å; K111-T113 PolarHBondContact O-N 2.85Å; T113-L115 VanDerWaalsContact C-N 3.33Å; T113-L115 PolarHBondContact O-N 2.85Å; T113-L116 PolarHBondContact O-N 3.48Å; T113-T117 PolarHBondContact O-N 3.28Å; T113-T117 PolarHBondContact O-OG1 3.49Å
114L94.1Very high92.7Very high50 Ų5055.9 Ų55.926%0.26229%0.286SS..Hα-helixtrans-65.2-39180-68.2-180000112.1I102 I105 K111 S112 T117 F118I102-L114 HydrophobicContact CG2-CB 4.33Å; I102-L114 HydrophobicContact CG2-CD2 4.34Å; I102-L114 WeakPolarHBondContact CG2-O 3.39Å; I105-L114 HydrophobicContact CB-CD1 4.19Å; I105-L114 HydrophobicContact CG2-CD1 3.52Å; K111-L114 HydrophobicContact CB-CB 4.25Å; K111-L114 HydrophobicContact CB-CD1 4.03Å; K111-L114 HydrophobicContact CB-CG 4.15Å; K111-L114 HydrophobicContact CD-CD1 3.87Å; K111-L114 HydrophobicContact CD-CG 4.47Å; K111-L114 PolarHBondContact O-N 2.99Å; S112-L114 PolarHBondContact O-N 3.47Å; L114-T117 WeakPolarHBondContact O-CB 3.47Å; L114-T117 PolarHBondContact O-N 3.15Å; L114-F118 WeakPolarHBondContact O-CB 3.46Å; L114-F118 PolarHBondContact O-N 3.39Å
115L92.5Very high92.7Very high1 Ų155.1 Ų55.11%0.00528%0.284CS..Hα-helixtrans-69.4-37.5178.5-174.674.9000112.3L45 V107 K111 S112 T113 F118 A119 A271 Y274 S275L45-L115 HydrophobicContact CD1-CD1 4.36Å; V107-L115 HydrophobicContact CG2-CD1 3.83Å; K111-L115 PolarHBondContact O-N 2.96Å; K111-L115 VanDerWaalsContact O-N 3.13Å; S112-L115 PolarHBondContact O-N 3.26Å; T113-L115 VanDerWaalsContact C-N 3.33Å; T113-L115 PolarHBondContact O-N 2.85Å; L115-F118 PolarHBondContact O-N 3.07Å; L115-A119 WeakPolarHBondContact O-CB 3.48Å; L115-A119 PolarHBondContact O-N 3.22Å; L115-A271 HydrophobicContact CD1-CB 3.91Å; L115-A271 WeakPolarHBondContact CD2-O 3.32Å; L115-A271 HydrophobicContact CG-CB 4.1Å; L115-A271 WeakPolarHBondContact CG-O 3.45Å; L115-Y274 HydrophobicContact CD1-CD1 4.02Å; L115-Y274 HydrophobicContact CD2-CD1 3.24Å; L115-Y274 HydrophobicContact CD2-CE1 4.15Å; L115-Y274 HydrophobicContact CD2-CG 3.93Å; L115-Y274 HydrophobicContact CG-CD1 4.25Å; L115-S275 VanDerWaalsContact CD2-CA 3.48Å
116L94Very high92.8Very high75 Ų7553.1 Ų53.139%0.39327%0.274SS..Hα-helixtrans-66.5-40.8172.6-174.463.5000110.6S112 T113 F118 A119 W120S112-L116 WeakPolarHBondContact O-CB 3.43Å; S112-L116 PolarHBondContact O-N 3.25Å; T113-L116 PolarHBondContact O-N 3.48Å; L116-F118 VanDerWaalsContact C-N 3.34Å; L116-F118 PolarHBondContact O-N 3.36Å; L116-A119 PolarHBondContact O-N 3.18Å; L116-W120 PolarHBondContact O-N 3.3Å
117T95.2Very high93Very high58 Ų5857.1 Ų57.136%0.35630%0.295SS..Hα-helixtrans-58.5-46.2171.6-57.40000111.3I102 T113 L114 A119 W120 I121I102-T117 HydrophobicContact CG2-CG2 4.34Å; T113-T117 PolarHBondContact O-N 3.28Å; T113-T117 PolarHBondContact O-OG1 3.49Å; L114-T117 WeakPolarHBondContact O-CB 3.47Å; L114-T117 PolarHBondContact O-N 3.15Å; T117-A119 PolarHBondContact O-N 3.25Å; T117-W120 PolarHBondContact O-N 3.46Å; T117-I121 HydrophobicContact CG2-CD1 4.02Å; T117-I121 VanDerWaalsContact O-CG1 3.31Å; T117-I121 WeakPolarHBondContact O-CG1 3.29Å; T117-I121 PolarHBondContact O-N 2.97Å
118F94.5Very high93.2Very high4 Ų461.7 Ų61.72%0.01832%0.318CS..Hα-helixtrans-60-45.2175.6178.1-116.4000112T49 A99 I102 L114 L115 L116 W120 I121 L122 A271T49-F118 HydrophobicContact CG2-CZ 4.36Å; A99-F118 WeakPolarHBondContact O-CD2 3.33Å; I102-F118 HydrophobicContact CG2-CB 4.32Å; L114-F118 WeakPolarHBondContact O-CB 3.46Å; L114-F118 PolarHBondContact O-N 3.39Å; L115-F118 PolarHBondContact O-N 3.07Å; L116-F118 VanDerWaalsContact C-N 3.34Å; L116-F118 PolarHBondContact O-N 3.36Å; F118-W120 PolarHBondContact O-N 3.19Å; F118-I121 PolarHBondContact O-N 3.44Å; F118-L122 HydrophobicContact CD1-CD1 4.12Å; F118-L122 HydrophobicContact CD2-CG 4.41Å; F118-L122 HydrophobicContact CE1-CD1 3.55Å; F118-L122 HydrophobicContact CE1-CG 4.29Å; F118-L122 HydrophobicContact CE2-CD1 4.14Å; F118-L122 HydrophobicContact CE2-CD2 4.15Å; F118-L122 HydrophobicContact CE2-CG 4.05Å; F118-L122 HydrophobicContact CZ-CD1 3.56Å; F118-L122 HydrophobicContact CZ-CD2 4.2Å; F118-L122 HydrophobicContact CZ-CG 4Å; F118-L122 WeakPolarHBondContact O-CG 3.35Å; F118-L122 PolarHBondContact O-N 2.97Å; F118-A271 HydrophobicContact CD1-CB 4.41Å
119A94.6Very high93.5Very high3 Ų360.8 Ų60.83%0.02531%0.306CS..Hα-helixtrans-60.7-41.9176.600000112.5L115 L116 T117 L122 F123 A271L115-A119 WeakPolarHBondContact O-CB 3.48Å; L115-A119 PolarHBondContact O-N 3.22Å; L116-A119 PolarHBondContact O-N 3.18Å; T117-A119 PolarHBondContact O-N 3.25Å; A119-L122 PolarHBondContact O-N 2.87Å; A119-F123 WeakPolarHBondContact O-CB 3.41Å; A119-F123 PolarHBondContact O-N 3.35Å; A119-A271 HydrophobicContact CB-CB 3.89Å
120W96Very high93.7Very high153 Ų15360.4 Ų60.458%0.5831%0.305SS*.Hα-helixtrans-64-41.3175.1-85.8111.6000112.7L116 T117 F118 F123 I124L116-W120 PolarHBondContact O-N 3.3Å; T117-W120 PolarHBondContact O-N 3.46Å; F118-W120 PolarHBondContact O-N 3.19Å; W120-F123 HydrophobicContact CE3-CD1 4.15Å; W120-F123 HydrophobicContact CZ3-CD1 4.07Å; W120-F123 HydrophobicContact CZ3-CE1 4.37Å; W120-F123 PolarHBondContact O-N 3.4Å; W120-I124 WeakPolarHBondContact O-CG1 3.33Å; W120-I124 PolarHBondContact O-N 3.44Å
121I95.6Very high94.2Very high48 Ų4862.8 Ų62.825%0.24632%0.315CS..Hα-helixtrans-62.4-48.5176.3-67.4164.4000110.3A99 I102 T117 F118 F123 I124 I125A99-I121 HydrophobicContact CB-CD1 4.32Å; A99-I121 HydrophobicContact CB-CG2 3.76Å; I102-I121 HydrophobicContact CD1-CD1 4.14Å; T117-I121 HydrophobicContact CG2-CD1 4.02Å; T117-I121 VanDerWaalsContact O-CG1 3.31Å; T117-I121 WeakPolarHBondContact O-CG1 3.29Å; T117-I121 PolarHBondContact O-N 2.97Å; F118-I121 PolarHBondContact O-N 3.44Å; I121-F123 VanDerWaalsContact C-N 3.3Å; I121-F123 PolarHBondContact O-N 3.22Å; I121-I124 PolarHBondContact O-N 3.33Å; I121-I125 HydrophobicContact CG2-CD1 3.81Å; I121-I125 WeakPolarHBondContact O-CG1 3.4Å; I121-I125 PolarHBondContact O-N 3.09Å
122L94.3Very high94.4Very high6 Ų661.4 Ų61.43%0.03132%0.316CS..Hα-helixtrans-60.1-40.1176.6-70.3-175.7000112.1I52 F118 A119 I124 I125 L126 V268I52-L122 HydrophobicContact CD1-CD2 4.3Å; F118-L122 HydrophobicContact CD1-CD1 4.12Å; F118-L122 HydrophobicContact CD2-CG 4.41Å; F118-L122 HydrophobicContact CE1-CD1 3.55Å; F118-L122 HydrophobicContact CE1-CG 4.29Å; F118-L122 HydrophobicContact CE2-CD1 4.14Å; F118-L122 HydrophobicContact CE2-CD2 4.15Å; F118-L122 HydrophobicContact CE2-CG 4.05Å; F118-L122 HydrophobicContact CZ-CD1 3.56Å; F118-L122 HydrophobicContact CZ-CD2 4.2Å; F118-L122 HydrophobicContact CZ-CG 4Å; F118-L122 WeakPolarHBondContact O-CG 3.35Å; F118-L122 PolarHBondContact O-N 2.97Å; A119-L122 PolarHBondContact O-N 2.87Å; L122-I124 PolarHBondContact O-N 3.11Å; L122-I125 PolarHBondContact O-N 3.49Å; L122-L126 WeakPolarHBondContact O-CB 3.5Å; L122-L126 PolarHBondContact O-N 2.83Å; L122-V268 HydrophobicContact CB-CG2 3.58Å; L122-V268 HydrophobicContact CD1-CG2 4.48Å
123F95.9Very high94.6Very high79 Ų7961.3 Ų61.335%0.34632%0.321SS..Hα-helixtrans-63.2-41.5176.6-179.7-106.6000112.4A119 W120 I121 L126 L127 V268A119-F123 WeakPolarHBondContact O-CB 3.41Å; A119-F123 PolarHBondContact O-N 3.35Å; W120-F123 HydrophobicContact CE3-CD1 4.15Å; W120-F123 HydrophobicContact CZ3-CD1 4.07Å; W120-F123 HydrophobicContact CZ3-CE1 4.37Å; W120-F123 PolarHBondContact O-N 3.4Å; I121-F123 VanDerWaalsContact C-N 3.3Å; I121-F123 PolarHBondContact O-N 3.22Å; F123-L126 WeakPolarHBondContact O-CB 3.44Å; F123-L126 PolarHBondContact O-N 3.27Å; F123-L127 HydrophobicContact CD1-CD1 4.16Å; F123-L127 HydrophobicContact CE1-CD1 3.6Å; F123-L127 HydrophobicContact CE1-CG 4.23Å; F123-L127 HydrophobicContact CZ-CD1 3.91Å; F123-L127 HydrophobicContact CZ-CD2 4.26Å; F123-L127 HydrophobicContact CZ-CG 4.19Å; F123-L127 WeakPolarHBondContact O-CG 3.25Å; F123-L127 PolarHBondContact O-N 2.89Å; F123-V268 HydrophobicContact CB-CG2 4.32Å
124I96.5Very high94.7Very high91 Ų9159.5 Ų59.547%0.46731%0.306SS..Hα-helixtrans-63.8-43.6175.1-68.6165.2000110.7W120 I121 L122 L126 L127 I128W120-I124 WeakPolarHBondContact O-CG1 3.33Å; W120-I124 PolarHBondContact O-N 3.44Å; I121-I124 PolarHBondContact O-N 3.33Å; L122-I124 PolarHBondContact O-N 3.11Å; I124-L126 VanDerWaalsContact C-N 3.32Å; I124-L126 PolarHBondContact O-N 3.44Å; I124-L127 PolarHBondContact O-N 3.29Å; I124-I128 HydrophobicContact CG2-CD1 3.88Å; I124-I128 HydrophobicContact CG2-CG1 4.49Å; I124-I128 WeakPolarHBondContact O-CG1 3.46Å; I124-I128 PolarHBondContact O-N 3.12Å
125I94.7Very high94.8Very high33 Ų3361.5 Ų61.517%0.16932%0.317CS..Hα-helixtrans-59.7-45176.5-67.9164.4000110.5L96 I121 L122 L127 I128 Q129L96-I125 HydrophobicContact CD2-CD1 3.59Å; I121-I125 HydrophobicContact CG2-CD1 3.81Å; I121-I125 WeakPolarHBondContact O-CG1 3.4Å; I121-I125 PolarHBondContact O-N 3.09Å; L122-I125 PolarHBondContact O-N 3.49Å; I125-L127 VanDerWaalsContact C-N 3.32Å; I125-L127 PolarHBondContact O-N 3.36Å; I125-I128 PolarHBondContact O-N 3Å; I125-I128 VanDerWaalsContact O-N 3.12Å; I125-Q129 HydrophobicContact CG2-CG 4.34Å; I125-Q129 WeakPolarHBondContact O-CG 3.42Å; I125-Q129 PolarHBondContact O-N 2.95Å
126L95.5Very high94.7Very high24 Ų2464.1 Ų64.113%0.12634%0.339CS..Hα-helixtrans-57.8-43.5177.1-175.470.3000111.9L122 F123 I124 Q129 F130 V261 E264 F265L122-L126 WeakPolarHBondContact O-CB 3.5Å; L122-L126 PolarHBondContact O-N 2.83Å; F123-L126 WeakPolarHBondContact O-CB 3.44Å; F123-L126 PolarHBondContact O-N 3.27Å; I124-L126 VanDerWaalsContact C-N 3.32Å; I124-L126 PolarHBondContact O-N 3.44Å; L126-Q129 PolarHBondContact O-N 3.07Å; L126-F130 WeakPolarHBondContact O-CB 3.3Å; L126-F130 PolarHBondContact O-N 3.22Å; L126-V261 HydrophobicContact CD1-CB 4.36Å; L126-V261 HydrophobicContact CD1-CG1 3.79Å; L126-E264 HydrophobicContact CD1-CB 4.32Å; L126-F265 HydrophobicContact CD2-CB 4.44Å; L126-F265 HydrophobicContact CD2-CD2 4.23Å
127L96.2Very high94.6Very high83 Ų8366.3 Ų66.344%0.43535%0.35SS..Hα-helixtrans-65.3-40.8175.7-68-179.7000112.2F123 I124 I125 F130 T131F123-L127 HydrophobicContact CD1-CD1 4.16Å; F123-L127 HydrophobicContact CE1-CD1 3.6Å; F123-L127 HydrophobicContact CE1-CG 4.23Å; F123-L127 HydrophobicContact CZ-CD1 3.91Å; F123-L127 HydrophobicContact CZ-CD2 4.26Å; F123-L127 HydrophobicContact CZ-CG 4.19Å; F123-L127 WeakPolarHBondContact O-CG 3.25Å; F123-L127 PolarHBondContact O-N 2.89Å; I124-L127 PolarHBondContact O-N 3.29Å; I125-L127 VanDerWaalsContact C-N 3.32Å; I125-L127 PolarHBondContact O-N 3.36Å; L127-F130 PolarHBondContact O-N 2.82Å; L127-T131 WeakPolarHBondContact O-CB 3.29Å; L127-T131 VanDerWaalsContact O-CG2 3.3Å; L127-T131 WeakPolarHBondContact O-CG2 3.27Å; L127-T131 PolarHBondContact O-N 3.22Å; L127-T131 PolarHBondContact O-OG1 3.25Å
128I95.7Very high94.7Very high96 Ų9668 Ų6849%0.49236%0.363SS..Hα-helixtrans-63.7-42.8176-68.2168.3000110.4I124 I125 T131 T132I124-I128 HydrophobicContact CG2-CD1 3.88Å; I124-I128 HydrophobicContact CG2-CG1 4.49Å; I124-I128 WeakPolarHBondContact O-CG1 3.46Å; I124-I128 PolarHBondContact O-N 3.12Å; I125-I128 PolarHBondContact O-N 3Å; I125-I128 VanDerWaalsContact O-N 3.12Å; I128-T131 WeakPolarHBondContact CA-OG1 3.4Å; I128-T131 PolarHBondContact O-OG1 3.4Å; I128-T132 WeakPolarHBondContact O-CB 3.18Å; I128-T132 PolarHBondContact O-N 3.5Å; I128-T132 PolarHBondContact O-OG1 3.39Å
129Q93.4Very high94.7Very high54 Ų5473.3 Ų73.325%0.25239%0.386SS..Hα-helixtrans-63.7-45.7177.3-73.2179.311.200111.5I125 L126 T132 G133 V261 E264I125-Q129 HydrophobicContact CG2-CG 4.34Å; I125-Q129 WeakPolarHBondContact O-CG 3.42Å; I125-Q129 PolarHBondContact O-N 2.95Å; L126-Q129 PolarHBondContact O-N 3.07Å; Q129-T132 PolarHBondContact O-N 2.88Å; Q129-G133 PolarHBondContact O-N 3.45Å; Q129-V261 HydrophobicContact CB-CG2 4.43Å; Q129-V261 VanDerWaalsContact OE1-CG2 3.24Å; Q129-E264 PolarHBondContact NE2-OE1 3.48Å; Q129-E264 PolarHBondContact NE2-OE2 3.18Å; Q129-E264 PolarHBondContact OE1-OE2 3.48Å
130F93.5Very high94.5Very high137 Ų13775.6 Ų75.660%0.60140%0.402SS*.Hα-helixtrans-62.3-47.5179-176.8-106.4000112.1L126 L127 G133 I134L126-F130 WeakPolarHBondContact O-CB 3.3Å; L126-F130 PolarHBondContact O-N 3.22Å; L127-F130 PolarHBondContact O-N 2.82Å; F130-G133 PolarHBondContact O-N 2.75Å; F130-I134 HydrophobicContact CD1-CD1 3.76Å; F130-I134 HydrophobicContact CE1-CD1 3.29Å; F130-I134 HydrophobicContact CE1-CG1 4.48Å; F130-I134 HydrophobicContact CE2-CD1 4.18Å; F130-I134 HydrophobicContact CG-CD1 4.39Å; F130-I134 HydrophobicContact CZ-CD1 3.54Å; F130-I134 HydrophobicContact CZ-CG1 4.47Å; F130-I134 WeakPolarHBondContact O-CG1 3.42Å; F130-I134 PolarHBondContact O-N 3.36Å
131T95.7Very high94.4Very high68 Ų6874 Ų7442%0.41741%0.405SS..Hα-helixtrans-64.9-43.6177.651.50000111.7L127 I128 G133 I134 L135L127-T131 WeakPolarHBondContact O-CB 3.29Å; L127-T131 VanDerWaalsContact O-CG2 3.3Å; L127-T131 WeakPolarHBondContact O-CG2 3.27Å; L127-T131 PolarHBondContact O-N 3.22Å; L127-T131 PolarHBondContact O-OG1 3.25Å; I128-T131 WeakPolarHBondContact CA-OG1 3.4Å; I128-T131 PolarHBondContact O-OG1 3.4Å; T131-G133 VanDerWaalsContact C-N 3.34Å; T131-G133 PolarHBondContact O-N 2.98Å; T131-I134 PolarHBondContact O-N 3.18Å; T131-L135 WeakPolarHBondContact O-CB 3.44Å; T131-L135 VanDerWaalsContact O-CG 3.27Å; T131-L135 WeakPolarHBondContact O-CG 3.45Å; T131-L135 PolarHBondContact O-N 3.39Å
132T93.6Very high94.4Very high79 Ų7976.1 Ų76.149%0.48542%0.42SS..Hα-helixtrans-61.5-41.9176-580000111.4I128 Q129 L135 A136I128-T132 WeakPolarHBondContact O-CB 3.18Å; I128-T132 PolarHBondContact O-N 3.5Å; I128-T132 PolarHBondContact O-OG1 3.39Å; Q129-T132 PolarHBondContact O-N 2.88Å; T132-L135 PolarHBondContact O-N 3.01Å; T132-A136 WeakPolarHBondContact O-CB 3.37Å; T132-A136 PolarHBondContact O-N 3.24Å
133G92.9Very high94.1Very high35 Ų3580.5 Ų80.536%0.36144%0.443SS..Hα-helixtrans-61.3-45.317600000112.6Q129 F130 T131 A136 L137Q129-G133 PolarHBondContact O-N 3.45Å; F130-G133 PolarHBondContact O-N 2.75Å; T131-G133 VanDerWaalsContact C-N 3.34Å; T131-G133 PolarHBondContact O-N 2.98Å; G133-A136 PolarHBondContact O-N 3.45Å; G133-L137 WeakPolarHBondContact O-CG 3.41Å; G133-L137 PolarHBondContact O-N 2.79Å; G133-L137 VanDerWaalsContact O-N 3.14Å
134I94.7Very high93.9Very high72 Ų7278.3 Ų78.337%0.36944%0.436SS..Hα-helixtrans-61.9-47.7174.9-68.1169.6000110.7F130 T131 A136 L137 C138F130-I134 HydrophobicContact CD1-CD1 3.76Å; F130-I134 HydrophobicContact CE1-CD1 3.29Å; F130-I134 HydrophobicContact CE1-CG1 4.48Å; F130-I134 HydrophobicContact CE2-CD1 4.18Å; F130-I134 HydrophobicContact CG-CD1 4.39Å; F130-I134 HydrophobicContact CZ-CD1 3.54Å; F130-I134 HydrophobicContact CZ-CG1 4.47Å; F130-I134 WeakPolarHBondContact O-CG1 3.42Å; F130-I134 PolarHBondContact O-N 3.36Å; T131-I134 PolarHBondContact O-N 3.18Å; I134-A136 VanDerWaalsContact C-N 3.33Å; I134-A136 PolarHBondContact O-N 2.91Å; I134-L137 PolarHBondContact O-N 3.45Å; I134-C138 PolarHBondContact O-N 2.81Å; I134-C138 PolarHBondContact O-SG 2.86Å; I134-C138 VanDerWaalsContact O-SG 3.39Å
135L95.6Very high93.8Very high93 Ų9378.6 Ų78.649%0.48744%0.436SS..Hα-helixtrans-61-41.9179.3-70.5174.2000111.7T131 T132 L137 C138 F139T131-L135 WeakPolarHBondContact O-CB 3.44Å; T131-L135 VanDerWaalsContact O-CG 3.27Å; T131-L135 WeakPolarHBondContact O-CG 3.45Å; T131-L135 PolarHBondContact O-N 3.39Å; T132-L135 PolarHBondContact O-N 3.01Å; L135-L137 VanDerWaalsContact C-N 3.28Å; L135-L137 PolarHBondContact O-N 2.68Å; L135-C138 PolarHBondContact O-N 3.12Å; L135-F139 HydrophobicContact CB-CD2 4.44Å; L135-F139 HydrophobicContact CD2-CD2 3.91Å; L135-F139 HydrophobicContact CD2-CE2 3.62Å; L135-F139 WeakPolarHBondContact O-CB 3.23Å; L135-F139 WeakPolarHBondContact O-CD2 3.33Å; L135-F139 PolarHBondContact O-N 2.94Å
136A91.6Very high93.7Very high56 Ų5681 Ų8146%0.46344%0.442SS..Hα-helixtrans-60.9-37.117700000112.3T132 G133 I134 S140T132-A136 WeakPolarHBondContact O-CB 3.37Å; T132-A136 PolarHBondContact O-N 3.24Å; G133-A136 PolarHBondContact O-N 3.45Å; I134-A136 VanDerWaalsContact C-N 3.33Å; I134-A136 PolarHBondContact O-N 2.91Å; A136-S140 WeakPolarHBondContact O-CA 3.2Å; A136-S140 WeakPolarHBondContact O-CB 3.37Å; A136-S140 PolarHBondContact O-N 3.38Å
137L91.8Very high93.5Very high121 Ų12181.2 Ų81.263%0.63444%0.444SS*.Hα-helixtrans-73.5-44.5175.5-67.6173.8000112.4G133 I134 L135G133-L137 WeakPolarHBondContact O-CG 3.41Å; G133-L137 PolarHBondContact O-N 2.79Å; G133-L137 VanDerWaalsContact O-N 3.14Å; I134-L137 PolarHBondContact O-N 3.45Å; L135-L137 VanDerWaalsContact C-N 3.28Å; L135-L137 PolarHBondContact O-N 2.68Å
138C96.2Very high93.3Very high92 Ų9277.4 Ų77.462%0.62242%0.424SS*.Hα-helixtrans-70-35.1-178-69.90000113I134 L135I134-C138 PolarHBondContact O-N 2.81Å; I134-C138 PolarHBondContact O-SG 2.86Å; I134-C138 VanDerWaalsContact O-SG 3.39Å; L135-C138 PolarHBondContact O-N 3.12Å
139F94.6Very high93.2Very high116 Ų11676.2 Ų76.251%0.50942%0.419SS..THydrogen-bonded Turntrans-108.917.5-174.2-64.8-80.4000113.1L135 N141 V142 L143L135-F139 HydrophobicContact CB-CD2 4.44Å; L135-F139 HydrophobicContact CD2-CD2 3.91Å; L135-F139 HydrophobicContact CD2-CE2 3.62Å; L135-F139 WeakPolarHBondContact O-CB 3.23Å; L135-F139 WeakPolarHBondContact O-CD2 3.33Å; L135-F139 PolarHBondContact O-N 2.94Å; F139-N141 VanDerWaalsContact C-N 3.32Å; F139-N141 PolarHBondContact O-N 3.28Å; F139-V142 HydrophobicContact CD1-CB 4.47Å; F139-V142 HydrophobicContact CD1-CG2 4.22Å; F139-V142 PolarHBondContact O-N 3.46Å; F139-L143 WeakPolarHBondContact O-CB 3.37Å; F139-L143 PolarHBondContact O-N 2.85Å
140S91.1Very high93.1Very high51 Ų5178 Ų7836%0.35742%0.423SS..Hα-helixtrans-54.3-48.8-179.962.60000111.7A136 V142 L143 T144A136-S140 WeakPolarHBondContact O-CA 3.2Å; A136-S140 WeakPolarHBondContact O-CB 3.37Å; A136-S140 PolarHBondContact O-N 3.38Å; S140-V142 VanDerWaalsContact C-N 3.35Å; S140-V142 PolarHBondContact O-N 3.14Å; S140-L143 PolarHBondContact O-N 3.14Å; S140-T144 WeakPolarHBondContact O-CG2 3.18Å; S140-T144 PolarHBondContact O-N 3.48Å; S140-T144 PolarHBondContact O-OG1 3.39Å
141N93.4Very high92.9Very high120 Ų12071.6 Ų71.664%0.64240%0.395SS*.Hα-helixtrans-67.9-36.3-177.4-61.4-11.7000111.9F139 T144 E145F139-N141 VanDerWaalsContact C-N 3.32Å; F139-N141 PolarHBondContact O-N 3.28Å; N141-T144 VanDerWaalsContact CA-OG1 3.32Å; N141-T144 WeakPolarHBondContact CA-OG1 3.46Å; N141-T144 PolarHBondContact O-N 3.4Å; N141-T144 PolarHBondContact O-OG1 2.84Å; N141-E145 WeakPolarHBondContact O-CG 3.42Å; N141-E145 PolarHBondContact O-N 2.96Å
142V94.7Very high92.8Very high93 Ų9370.4 Ų70.456%0.56439%0.386SS*.Hα-helixtrans-67-41.8177179.30000110.2F139 S140 E145 W146F139-V142 HydrophobicContact CD1-CB 4.47Å; F139-V142 HydrophobicContact CD1-CG2 4.22Å; F139-V142 PolarHBondContact O-N 3.46Å; S140-V142 VanDerWaalsContact C-N 3.35Å; S140-V142 PolarHBondContact O-N 3.14Å; V142-E145 PolarHBondContact O-N 3.44Å; V142-W146 VanDerWaalsContact O-CB 3.26Å; V142-W146 WeakPolarHBondContact O-CB 3.2Å; V142-W146 PolarHBondContact O-N 3.3Å
143L89.7Confident92.7Very high98 Ų9871.3 Ų71.351%0.51339%0.387SS..Hα-helixtrans-64.2-41.5176.2179.162.2000111.7F139 S140 W146 L147F139-L143 WeakPolarHBondContact O-CB 3.37Å; F139-L143 PolarHBondContact O-N 2.85Å; S140-L143 PolarHBondContact O-N 3.14Å; L143-W146 HydrophobicContact CD1-CE3 4.42Å; L143-W146 PolarHBondContact O-N 2.82Å; L143-L147 HydrophobicContact CD1-CD1 4.13Å; L143-L147 HydrophobicContact CD1-CG 4.23Å; L143-L147 HydrophobicContact CG-CD1 3.98Å; L143-L147 WeakPolarHBondContact O-CB 3.42Å; L143-L147 VanDerWaalsContact O-CG 3.3Å; L143-L147 WeakPolarHBondContact O-CG 3.35Å; L143-L147 PolarHBondContact O-N 2.98Å
144T91.7Very high92.5Very high33 Ų3370 Ų7020%0.20237%0.372CS..Hα-helixtrans-65.3-42.8178.452.90000112.1S140 N141 L147 A148 M239 L243S140-T144 WeakPolarHBondContact O-CG2 3.18Å; S140-T144 PolarHBondContact O-N 3.48Å; S140-T144 PolarHBondContact O-OG1 3.39Å; N141-T144 VanDerWaalsContact CA-OG1 3.32Å; N141-T144 WeakPolarHBondContact CA-OG1 3.46Å; N141-T144 PolarHBondContact O-N 3.4Å; N141-T144 PolarHBondContact O-OG1 2.84Å; T144-L147 PolarHBondContact O-N 3.44Å; T144-A148 WeakPolarHBondContact O-CB 3.27Å; T144-A148 PolarHBondContact O-N 3.44Å; T144-M239 HydrophobicContact CG2-CE 4.32Å; T144-L243 HydrophobicContact CG2-CD1 3.56Å; T144-L243 HydrophobicContact CG2-CD2 3.88Å; T144-L243 HydrophobicContact CG2-CG 4.36Å
145E94Very high92.3Very high96 Ų9666.8 Ų66.845%0.44936%0.356SS..Hα-helixtrans-64.8-43.5175.6-70.4-60.1157.200111.5N141 V142 L147 A148 D149 R183N141-E145 WeakPolarHBondContact O-CG 3.42Å; N141-E145 PolarHBondContact O-N 2.96Å; V142-E145 PolarHBondContact O-N 3.44Å; E145-L147 PolarHBondContact O-N 3.23Å; E145-A148 WeakPolarHBondContact O-CB 3.39Å; E145-A148 PolarHBondContact O-N 3.04Å; E145-D149 PolarHBondContact O-N 3.27Å; E145-R183 IonicContact OE2-CZ 3.46Å; E145-R183 IonicContact OE2-NE 3.44Å; E145-R183 PolarHBondContact OE2-NE 2.99Å; E145-R183 IonicContact OE2-NH2 3.7Å; E145-R183 PolarHBondContact OE2-NH2 3.19Å
146W91.4Very high92.2Very high83 Ų8364 Ų6431%0.31434%0.34SS..Hα-helixtrans-61.5-42.8177.1-177.790.7000112I81 V142 L143 D149 R150I81-W146 HydrophobicContact CD1-CH2 3.26Å; I81-W146 HydrophobicContact CD1-CZ2 3.27Å; V142-W146 VanDerWaalsContact O-CB 3.26Å; V142-W146 WeakPolarHBondContact O-CB 3.2Å; V142-W146 PolarHBondContact O-N 3.3Å; L143-W146 HydrophobicContact CD1-CE3 4.42Å; L143-W146 PolarHBondContact O-N 2.82Å; W146-D149 PolarHBondContact O-N 3.03Å; W146-R150 HydrophobicContact CD2-CG 4.04Å; W146-R150 HydrophobicContact CE3-CG 4.12Å; W146-R150 HydrophobicContact CH2-CG 3.87Å; W146-R150 HydrophobicContact CZ2-CG 3.81Å; W146-R150 HydrophobicContact CZ3-CG 4.04Å; W146-R150 WeakPolarHBondContact O-CB 3.33Å; W146-R150 VanDerWaalsContact O-CG 3.23Å; W146-R150 WeakPolarHBondContact O-CG 3.32Å; W146-R150 PolarHBondContact O-N 2.9Å
147L91.2Very high92.1Very high30 Ų3064.6 Ų64.616%0.15734%0.338CS..Hα-helixtrans-64.6-40.2174.5-75.7167.2000111.7L143 T144 E145 R150 L151 M239L143-L147 HydrophobicContact CD1-CD1 4.13Å; L143-L147 HydrophobicContact CD1-CG 4.23Å; L143-L147 HydrophobicContact CG-CD1 3.98Å; L143-L147 WeakPolarHBondContact O-CB 3.42Å; L143-L147 VanDerWaalsContact O-CG 3.3Å; L143-L147 WeakPolarHBondContact O-CG 3.35Å; L143-L147 PolarHBondContact O-N 2.98Å; T144-L147 PolarHBondContact O-N 3.44Å; E145-L147 PolarHBondContact O-N 3.23Å; L147-R150 PolarHBondContact O-N 3.31Å; L147-L151 WeakPolarHBondContact O-CB 3.37Å; L147-L151 PolarHBondContact O-N 3.24Å; L147-M239 HydrophobicContact CB-CE 3.83Å; L147-M239 HydrophobicContact CB-SD 3.74Å; L147-M239 HydrophobicContact CD1-CE 3.84Å; L147-M239 HydrophobicContact CG-CE 4.5Å
148A93.5Very high91.9Very high3 Ų361.5 Ų61.53%0.02532%0.322CS..Hα-helixtrans-61.7-47.8176.500000111.5T144 E145 R150 L151 M152 S182 R183 M239T144-A148 WeakPolarHBondContact O-CB 3.27Å; T144-A148 PolarHBondContact O-N 3.44Å; E145-A148 WeakPolarHBondContact O-CB 3.39Å; E145-A148 PolarHBondContact O-N 3.04Å; A148-R150 VanDerWaalsContact C-N 3.32Å; A148-R150 PolarHBondContact O-N 3.45Å; A148-L151 PolarHBondContact O-N 3.4Å; A148-M152 WeakPolarHBondContact O-CB 3.31Å; A148-M152 PolarHBondContact O-N 2.67Å; A148-S182 VanDerWaalsContact C-OG 3.28Å; A148-S182 VanDerWaalsContact CA-OG 3.26Å; A148-S182 WeakPolarHBondContact CA-OG 3.27Å; A148-S182 WeakPolarHBondContact O-CB 3.08Å; A148-S182 PolarHBondContact O-OG 2.99Å; A148-R183 HydrophobicContact CB-CG 4.23Å; A148-M239 HydrophobicContact CB-CB 4.15Å; A148-M239 HydrophobicContact CB-CG 3.99Å
149D93Very high91.5Very high71 Ų7157.8 Ų57.838%0.3830%0.295SS..Hα-helixtrans-63.7-39.4178-73.3-26.5000111.7E145 W146 M152 L153 R183E145-D149 PolarHBondContact O-N 3.27Å; W146-D149 PolarHBondContact O-N 3.03Å; D149-M152 PolarHBondContact O-N 2.99Å; D149-L153 WeakPolarHBondContact O-CB 3.3Å; D149-L153 PolarHBondContact O-N 3.01Å; D149-R183 IonicContact OD1-CZ 2.74Å; D149-R183 IonicContact OD1-NH1 3.18Å; D149-R183 PolarHBondContact OD1-NH1 3.46Å; D149-R183 IonicContact OD1-NH2 2.68Å; D149-R183 PolarHBondContact OD1-NH2 3.43Å; D149-R183 IonicContact OD2-NH2 2.79Å
150R90.3Very high91Very high91 Ų9155.5 Ų55.534%0.34329%0.288SS..Hα-helixtrans-63.8-48.1176.1-77.2-59.2-134.4-104.58.4112.4W146 L147 A148 M152 L153 T154W146-R150 HydrophobicContact CD2-CG 4.04Å; W146-R150 HydrophobicContact CE3-CG 4.12Å; W146-R150 HydrophobicContact CH2-CG 3.87Å; W146-R150 HydrophobicContact CZ2-CG 3.81Å; W146-R150 HydrophobicContact CZ3-CG 4.04Å; W146-R150 WeakPolarHBondContact O-CB 3.33Å; W146-R150 VanDerWaalsContact O-CG 3.23Å; W146-R150 WeakPolarHBondContact O-CG 3.32Å; W146-R150 PolarHBondContact O-N 2.9Å; L147-R150 PolarHBondContact O-N 3.31Å; A148-R150 VanDerWaalsContact C-N 3.32Å; A148-R150 PolarHBondContact O-N 3.45Å; R150-M152 VanDerWaalsContact C-N 3.31Å; R150-M152 PolarHBondContact O-N 3.02Å; R150-L153 PolarHBondContact O-N 3.12Å; R150-T154 PolarHBondContact O-N 2.85Å; R150-T154 PolarHBondContact O-OG1 3.37Å; R150-T154 VanDerWaalsContact O-OG1 3.09Å
151L91.2Very high90.4Very high2 Ų259.1 Ų59.11%0.0130%0.298CS..Hα-helixtrans-61.2-43.4177.4179.460.3000110.9V76 L147 A148 T154 M155 C238V76-L151 HydrophobicContact CG1-CD1 3.75Å; L147-L151 WeakPolarHBondContact O-CB 3.37Å; L147-L151 PolarHBondContact O-N 3.24Å; A148-L151 PolarHBondContact O-N 3.4Å; L151-T154 PolarHBondContact O-N 2.84Å; L151-M155 HydrophobicContact CD1-CE 4.38Å; L151-M155 HydrophobicContact CD1-CG 4.36Å; L151-M155 HydrophobicContact CD1-SD 4.42Å; L151-M155 HydrophobicContact CD2-CE 4.46Å; L151-M155 HydrophobicContact CG-CE 3.79Å; L151-M155 HydrophobicContact CG-SD 4.41Å; L151-M155 WeakPolarHBondContact O-CE 3.1Å; L151-M155 WeakPolarHBondContact O-CG 3.17Å; L151-M155 PolarHBondContact O-N 3.35Å; L151-C238 HydrophobicContact CD2-CB 4.05Å
152M93.3Very high89.1Confident44 Ų4460.6 Ų60.622%0.21731%0.306CS..Hα-helixtrans-58.2-50.4176.1-175.7177.673.500111.4A148 D149 R150 T154 M155 Q156 D187A148-M152 WeakPolarHBondContact O-CB 3.31Å; A148-M152 PolarHBondContact O-N 2.67Å; D149-M152 PolarHBondContact O-N 2.99Å; R150-M152 VanDerWaalsContact C-N 3.31Å; R150-M152 PolarHBondContact O-N 3.02Å; M152-T154 PolarHBondContact O-N 3.32Å; M152-M155 PolarHBondContact O-N 2.84Å; M152-Q156 HydrophobicContact CG-CG 4.42Å; M152-Q156 WeakPolarHBondContact O-CB 3.35Å; M152-Q156 WeakPolarHBondContact O-CG 3.32Å; M152-Q156 PolarHBondContact O-N 2.96Å; M152-D187 HydrophobicContact CG-CB 4.22Å
153L91.3Very high87.7Confident97 Ų9758.8 Ų58.851%0.50830%0.295SS..Hα-helixtrans-60.3-44.5178.9-177.7142.8000111.7D149 R150 Q156 T157D149-L153 WeakPolarHBondContact O-CB 3.3Å; D149-L153 PolarHBondContact O-N 3.01Å; R150-L153 PolarHBondContact O-N 3.12Å; L153-Q156 PolarHBondContact O-N 3.23Å; L153-T157 WeakPolarHBondContact O-CB 3.32Å; L153-T157 WeakPolarHBondContact O-CG2 3.41Å; L153-T157 PolarHBondContact O-N 3.08Å; L153-T157 PolarHBondContact O-OG1 2.93Å
154T88.7Confident86.6Confident8 Ų863.2 Ų63.25%0.04931%0.313CS..Hα-helixtrans-59.2-48.4176.1-630000111.3V76 R150 L151 M152 Q156 L158 V166V76-T154 HydrophobicContact CB-CG2 4.3Å; V76-T154 HydrophobicContact CG1-CG2 3.96Å; V76-T154 HydrophobicContact CG2-CG2 4.2Å; V76-T154 PolarHBondContact O-OG1 3.41Å; R150-T154 PolarHBondContact O-N 2.85Å; R150-T154 PolarHBondContact O-OG1 3.37Å; R150-T154 VanDerWaalsContact O-OG1 3.09Å; L151-T154 PolarHBondContact O-N 2.84Å; M152-T154 PolarHBondContact O-N 3.32Å; T154-Q156 PolarHBondContact O-N 3.03Å; T154-L158 HydrophobicContact CG2-CB 4.45Å; T154-L158 HydrophobicContact CG2-CD1 4.11Å; T154-L158 WeakPolarHBondContact O-CB 3.41Å; T154-L158 PolarHBondContact O-N 3.29Å; T154-V166 HydrophobicContact CG2-CG1 3.92Å
155M90.9Very high85.9Confident5 Ų563.1 Ų63.13%0.02532%0.319CS..Hα-helixtrans-64.2-40.7178.7-71.2-175.8-63.900112.4L151 M152 Y159 V170 G181 W188L151-M155 HydrophobicContact CD1-CE 4.38Å; L151-M155 HydrophobicContact CD1-CG 4.36Å; L151-M155 HydrophobicContact CD1-SD 4.42Å; L151-M155 HydrophobicContact CD2-CE 4.46Å; L151-M155 HydrophobicContact CG-CE 3.79Å; L151-M155 HydrophobicContact CG-SD 4.41Å; L151-M155 WeakPolarHBondContact O-CE 3.1Å; L151-M155 WeakPolarHBondContact O-CG 3.17Å; L151-M155 PolarHBondContact O-N 3.35Å; M152-M155 PolarHBondContact O-N 2.84Å; M155-Y159 WeakPolarHBondContact O-CB 3.49Å; M155-V170 HydrophobicContact CG-CG1 3.82Å; M155-V170 HydrophobicContact CG-CG2 3.8Å; M155-V170 HydrophobicContact SD-CG1 3.89Å; M155-G181 VanDerWaalsContact CE-C 3.4Å; M155-W188 HydrophobicContact CB-CH2 4Å; M155-W188 HydrophobicContact CB-CZ2 4.24Å; M155-W188 HydrophobicContact CB-CZ3 4.42Å; M155-W188 HydrophobicContact CG-CH2 4.26Å; M155-W188 HydrophobicContact CG-CZ2 4.23Å; M155-W188 HydrophobicContact SD-CH2 4.47Å; M155-W188 HydrophobicContact SD-CZ2 3.86Å
156Q92.2Very high85.4Confident35 Ų3559.1 Ų59.116%0.16430%0.301CS..Hα-helixtrans-70.8-35.1-177.7-74.9177-12.300112.9M152 L153 T154 D187 S191 V192M152-Q156 HydrophobicContact CG-CG 4.42Å; M152-Q156 WeakPolarHBondContact O-CB 3.35Å; M152-Q156 WeakPolarHBondContact O-CG 3.32Å; M152-Q156 PolarHBondContact O-N 2.96Å; L153-Q156 PolarHBondContact O-N 3.23Å; T154-Q156 PolarHBondContact O-N 3.03Å; Q156-D187 WeakPolarHBondContact CG-O 3.49Å; Q156-D187 PolarHBondContact NE2-O 3.16Å; Q156-S191 CarbonylContact O-C 3.51Å; Q156-S191 WeakPolarHBondContact O-CA 3.41Å; Q156-V192 WeakPolarHBondContact O-CG2 3.08Å; Q156-V192 PolarHBondContact O-N 2.91Å
157T89.4Confident85.2Confident67 Ų6757.2 Ų57.241%0.41130%0.297SS..Hα-helixtrans-105.3-33.6-169.860.90000114.6L153L153-T157 WeakPolarHBondContact O-CB 3.32Å; L153-T157 WeakPolarHBondContact O-CG2 3.41Å; L153-T157 PolarHBondContact O-N 3.08Å; L153-T157 PolarHBondContact O-OG1 2.93Å
158L87.7Confident85Confident56 Ų5658.6 Ų58.629%0.29331%0.313SS..Hα-helixtrans-106.9-16.6-170.4-64.9167.7000113.7T154 L160 H161 T163 V166T154-L158 HydrophobicContact CG2-CB 4.45Å; T154-L158 HydrophobicContact CG2-CD1 4.11Å; T154-L158 WeakPolarHBondContact O-CB 3.41Å; T154-L158 PolarHBondContact O-N 3.29Å; L158-L160 PolarHBondContact O-N 3.43Å; L158-H161 WeakPolarHBondContact O-CB 3.35Å; L158-H161 PolarHBondContact O-N 2.9Å; L158-H161 VanDerWaalsContact O-N 3.08Å; L158-T163 HydrophobicContact CD2-CG2 4.46Å; L158-V166 HydrophobicContact CB-CG1 3.97Å; L158-V166 HydrophobicContact CB-CG2 4.43Å
159Y87.9Confident84.8Confident14 Ų1458.5 Ų58.56%0.05531%0.312CS..THydrogen-bonded Turntrans-67.7128.6175.5-163.5-90.3000110.4M155 H161 D167 V170 D171 W188 F193 P213M155-Y159 WeakPolarHBondContact O-CB 3.49Å; Y159-H161 VanDerWaalsContact C-N 3.31Å; Y159-D167 VanDerWaalsContact CA-OD1 3.27Å; Y159-D167 WeakPolarHBondContact CA-OD1 3.39Å; Y159-D167 HydrophobicContact CD2-CB 4.28Å; Y159-D167 HydrophobicContact CE2-CB 4.01Å; Y159-V170 HydrophobicContact CD2-CB 3.89Å; Y159-V170 HydrophobicContact CD2-CG1 3.92Å; Y159-V170 HydrophobicContact CD2-CG2 4.17Å; Y159-V170 HydrophobicContact CE2-CB 3.92Å; Y159-V170 HydrophobicContact CE2-CG1 3.88Å; Y159-D171 VanDerWaalsContact CE2-OD1 3.29Å; Y159-D171 WeakPolarHBondContact CE2-OD1 3.38Å; Y159-D171 PolarHBondContact OH-OD1 3.08Å; Y159-W188 AromaticContact CD1-CH2 3.88Å; Y159-W188 HydrophobicContact CD1-CH2 3.88Å; Y159-W188 AromaticContact CD1-CZ3 3.74Å; Y159-W188 HydrophobicContact CD1-CZ3 3.74Å; Y159-W188 AromaticContact CD2-CH2 3.76Å; Y159-W188 HydrophobicContact CD2-CH2 3.76Å; Y159-W188 HydrophobicContact CD2-CZ3 4.38Å; Y159-W188 HydrophobicContact CE1-CH2 4.21Å; Y159-W188 HydrophobicContact CE1-CZ3 4.27Å; Y159-W188 HydrophobicContact CE2-CH2 4.09Å; Y159-W188 AromaticContact CG-CH2 3.64Å; Y159-W188 HydrophobicContact CG-CH2 3.64Å; Y159-W188 AromaticContact CG-CZ3 3.8Å; Y159-W188 HydrophobicContact CG-CZ3 3.8Å; Y159-F193 HydrophobicContact CD1-CB 3.93Å; Y159-F193 AromaticContact CD1-CD2 3.82Å; Y159-F193 HydrophobicContact CD1-CD2 3.82Å; Y159-F193 HydrophobicContact CD1-CG 4.1Å; Y159-F193 HydrophobicContact CE1-CB 4.49Å; Y159-F193 AromaticContact CE1-CD2 3.56Å; Y159-F193 HydrophobicContact CE1-CD2 3.56Å; Y159-F193 HydrophobicContact CE1-CE2 4.06Å; Y159-F193 HydrophobicContact CE1-CG 4.16Å; Y159-P213 HydrophobicContact CD1-CG 4.43Å; Y159-P213 HydrophobicContact CE1-CB 4.26Å; Y159-P213 HydrophobicContact CE1-CG 3.64Å; Y159-P213 HydrophobicContact CE2-CG 4.38Å; Y159-P213 WeakPolarHBondContact OH-CB 3.43Å
160L84.6Confident84.7Confident69 Ų6955.2 Ų55.236%0.36129%0.294SS..THydrogen-bonded Turntrans69.18.6-167.1-60.1-178.1000116.6L158 D162 D167 F193 Y196L158-L160 PolarHBondContact O-N 3.43Å; L160-D162 VanDerWaalsContact C-N 3.32Å; L160-D162 PolarHBondContact O-N 3.44Å; L160-D167 PolarHBondContact N-OD1 3.35Å; L160-D167 PolarHBondContact N-OD2 3.39Å; L160-F193 HydrophobicContact CD1-CB 4.33Å; L160-F193 HydrophobicContact CD1-CD2 3.6Å; L160-F193 HydrophobicContact CD1-CE2 4.41Å; L160-F193 HydrophobicContact CD1-CG 4.4Å; L160-F193 HydrophobicContact CG-CD2 4Å; L160-Y196 HydrophobicContact CD1-CD1 3.69Å; L160-Y196 HydrophobicContact CD1-CD2 4.5Å; L160-Y196 HydrophobicContact CD1-CE1 4.33Å; L160-Y196 HydrophobicContact CD1-CG 3.79Å
161H77.5Confident84.8Confident126 Ų12653.3 Ų53.358%0.58329%0.291SS*.THydrogen-bonded Turntrans-94.624.3-179.7-149.873.3000113.8L158 Y159 T163L158-H161 WeakPolarHBondContact O-CB 3.35Å; L158-H161 PolarHBondContact O-N 2.9Å; L158-H161 VanDerWaalsContact O-N 3.08Å; Y159-H161 VanDerWaalsContact C-N 3.31Å; H161-T163 PolarHBondContact O-N 2.92Å; H161-T163 PolarHBondContact O-OG1 3.29Å
162D65.8Low84.7Confident152 Ų15258.2 Ų58.281%0.81331%0.314SS*.THydrogen-bonded Turntrans47.829.3-177-161.726.8000113.7L160 H164L160-D162 VanDerWaalsContact C-N 3.32Å; L160-D162 PolarHBondContact O-N 3.44Å; D162-H164 PolarHBondContact O-N 3.45Å
163T66.7Low84.7Confident54 Ų5456.4 Ų56.433%0.33131%0.305SS..  trans-82114.2179.6-560000107.7L158 H161 G165 V166L158-T163 HydrophobicContact CD2-CG2 4.46Å; H161-T163 PolarHBondContact O-N 2.92Å; H161-T163 PolarHBondContact O-OG1 3.29Å; T163-G165 PolarHBondContact O-N 3Å; T163-V166 HydrophobicContact CG2-CG2 3.7Å; T163-V166 PolarHBondContact O-N 3.44Å
164H66.2Low84.8Confident191 Ų19151.9 Ų51.988%0.88428%0.281SS*.THydrogen-bonded Turntrans-35.198-172.7-77.4-71.1000114.1D162D162-H164 PolarHBondContact O-N 3.45Å
165G77.4Confident85.1Confident32 Ų3255 Ų5533%0.3330%0.295SS..THydrogen-bonded Turntrans86.3-317100000116.9P72 T163 D167 A168 A169P72-G165 WeakPolarHBondContact CB-O 3.39Å; T163-G165 PolarHBondContact O-N 3Å; G165-D167 PolarHBondContact O-N 3.34Å; G165-A168 PolarHBondContact O-N 3.07Å; G165-A169 WeakPolarHBondContact O-CB 3.42Å; G165-A169 PolarHBondContact O-N 3.28Å
166V82.9Confident85.2Confident12 Ų1261.3 Ų61.37%0.07332%0.323CS..Hα-helixtrans-58.2-49.8-178.2171.30000111.3V76 T154 L158 T163 A168 A169 V170V76-V166 HydrophobicContact CG2-CB 4.2Å; V76-V166 HydrophobicContact CG2-CG1 4.01Å; V76-V166 HydrophobicContact CG2-CG2 4.15Å; T154-V166 HydrophobicContact CG2-CG1 3.92Å; L158-V166 HydrophobicContact CB-CG1 3.97Å; L158-V166 HydrophobicContact CB-CG2 4.43Å; T163-V166 HydrophobicContact CG2-CG2 3.7Å; T163-V166 PolarHBondContact O-N 3.44Å; V166-A168 PolarHBondContact O-N 3.48Å; V166-A169 WeakPolarHBondContact O-CB 3.48Å; V166-A169 PolarHBondContact O-N 3.2Å; V166-A169 VanDerWaalsContact O-N 3.13Å; V166-V170 HydrophobicContact CG1-CG2 4.28Å; V166-V170 WeakPolarHBondContact O-CG2 3.46Å; V166-V170 PolarHBondContact O-N 2.83Å
167D87.6Confident85.2Confident43 Ų4362.2 Ų62.223%0.2333%0.326CS..Hα-helixtrans-57.9-51.8-179.5-60.8-3.4000110.9Y159 L160 G165 A169 V170 D171Y159-D167 VanDerWaalsContact CA-OD1 3.27Å; Y159-D167 WeakPolarHBondContact CA-OD1 3.39Å; Y159-D167 HydrophobicContact CD2-CB 4.28Å; Y159-D167 HydrophobicContact CE2-CB 4.01Å; L160-D167 PolarHBondContact N-OD1 3.35Å; L160-D167 PolarHBondContact N-OD2 3.39Å; G165-D167 PolarHBondContact O-N 3.34Å; D167-A169 PolarHBondContact O-N 3.37Å; D167-V170 PolarHBondContact O-N 3.14Å; D167-D171 WeakPolarHBondContact O-CB 3.39Å; D167-D171 PolarHBondContact O-N 2.89Å
168A87.4Confident85.5Confident59 Ų5965.8 Ų65.849%0.48834%0.336SS..Hα-helixtrans-59.2-33.3178.600000112.8G165 V166 H172G165-A168 PolarHBondContact O-N 3.07Å; V166-A168 PolarHBondContact O-N 3.48Å; A168-H172 WeakPolarHBondContact O-CB 3.22Å; A168-H172 PolarHBondContact O-N 2.89Å
169A87.9Confident85.9Confident0 Ų063.1 Ų63.10%032%0.322CS..Hα-helixtrans-75.4-44.517700000113.8P72 F73 V76 G165 V166 D167 D171 H172 I173P72-A169 HydrophobicContact CB-CB 3.67Å; P72-A169 HydrophobicContact CG-CB 4.08Å; P72-A169 WeakPolarHBondContact O-CB 3.38Å; F73-A169 HydrophobicContact CB-CB 4.29Å; V76-A169 HydrophobicContact CB-CB 4.16Å; V76-A169 HydrophobicContact CG2-CB 3.54Å; G165-A169 WeakPolarHBondContact O-CB 3.42Å; G165-A169 PolarHBondContact O-N 3.28Å; V166-A169 WeakPolarHBondContact O-CB 3.48Å; V166-A169 PolarHBondContact O-N 3.2Å; V166-A169 VanDerWaalsContact O-N 3.13Å; D167-A169 PolarHBondContact O-N 3.37Å; A169-D171 VanDerWaalsContact C-N 3.3Å; A169-H172 PolarHBondContact O-N 3.19Å; A169-I173 WeakPolarHBondContact O-CB 3.22Å; A169-I173 WeakPolarHBondContact O-CD1 3.4Å; A169-I173 WeakPolarHBondContact O-CG1 3.26Å; A169-I173 PolarHBondContact O-N 3.43Å
170V91.3Very high86.3Confident2 Ų262.4 Ų62.41%0.01232%0.319CS..Hα-helixtrans-59.4-47.6174171.20000109.2V76 M155 Y159 V166 D167 H172 I173 Q174 W188V76-V170 HydrophobicContact CG1-CG2 3.82Å; V76-V170 HydrophobicContact CG2-CG2 4.5Å; M155-V170 HydrophobicContact CG-CG1 3.82Å; M155-V170 HydrophobicContact CG-CG2 3.8Å; M155-V170 HydrophobicContact SD-CG1 3.89Å; Y159-V170 HydrophobicContact CD2-CB 3.89Å; Y159-V170 HydrophobicContact CD2-CG1 3.92Å; Y159-V170 HydrophobicContact CD2-CG2 4.17Å; Y159-V170 HydrophobicContact CE2-CB 3.92Å; Y159-V170 HydrophobicContact CE2-CG1 3.88Å; V166-V170 HydrophobicContact CG1-CG2 4.28Å; V166-V170 WeakPolarHBondContact O-CG2 3.46Å; V166-V170 PolarHBondContact O-N 2.83Å; D167-V170 PolarHBondContact O-N 3.14Å; V170-H172 VanDerWaalsContact C-N 3.32Å; V170-H172 PolarHBondContact O-N 3.2Å; V170-I173 PolarHBondContact O-N 3.41Å; V170-Q174 WeakPolarHBondContact O-CG 3.46Å; V170-Q174 PolarHBondContact O-N 2.95Å; V170-W188 HydrophobicContact CG1-CH2 4.05Å; V170-W188 HydrophobicContact CG1-CZ2 3.91Å
171D92.2Very high86.8Confident51 Ų5159.1 Ų59.127%0.27330%0.302SS..Hα-helixtrans-60.2-43.8178.2-68.61.2000111.4Y159 D167 A169 Q174 Q175 S215Y159-D171 VanDerWaalsContact CE2-OD1 3.29Å; Y159-D171 WeakPolarHBondContact CE2-OD1 3.38Å; Y159-D171 PolarHBondContact OH-OD1 3.08Å; D167-D171 WeakPolarHBondContact O-CB 3.39Å; D167-D171 PolarHBondContact O-N 2.89Å; A169-D171 VanDerWaalsContact C-N 3.3Å; D171-Q174 PolarHBondContact O-N 3.46Å; D171-Q175 WeakPolarHBondContact O-CB 3.24Å; D171-Q175 WeakPolarHBondContact O-CG 3.3Å; D171-Q175 PolarHBondContact O-N 3.32Å; D171-S215 VanDerWaalsContact CA-CB 3.46Å; D171-S215 PolarHBondContact OD1-OG 3.46Å
172H90.7Very high87.6Confident106 Ų10653.1 Ų53.149%0.49127%0.274SS..Hα-helixtrans-63.5-45.2177.2-175.375.8000112.1A168 A169 V170 Q175 K176A168-H172 WeakPolarHBondContact O-CB 3.22Å; A168-H172 PolarHBondContact O-N 2.89Å; A169-H172 PolarHBondContact O-N 3.19Å; V170-H172 VanDerWaalsContact C-N 3.32Å; V170-H172 PolarHBondContact O-N 3.2Å; H172-Q175 PolarHBondContact O-N 3.12Å; H172-K176 WeakPolarHBondContact O-CB 3.35Å; H172-K176 PolarHBondContact O-N 3.26Å
173I91.8Very high89Confident6 Ų651.1 Ų51.13%0.03126%0.255CS..Hα-helixtrans-59-49.2177.9-72.8163.8000109.8F73 V76 L77 A169 V170 Q175 K176 F177 C238 I242F73-I173 HydrophobicContact CB-CD1 4.12Å; F73-I173 HydrophobicContact CB-CG1 4.23Å; V76-I173 HydrophobicContact CG1-CD1 4.03Å; L77-I173 HydrophobicContact CD1-CD1 3.67Å; L77-I173 HydrophobicContact CD1-CG1 4.48Å; L77-I173 HydrophobicContact CG-CD1 4.29Å; A169-I173 WeakPolarHBondContact O-CB 3.22Å; A169-I173 WeakPolarHBondContact O-CD1 3.4Å; A169-I173 WeakPolarHBondContact O-CG1 3.26Å; A169-I173 PolarHBondContact O-N 3.43Å; V170-I173 PolarHBondContact O-N 3.41Å; I173-Q175 PolarHBondContact O-N 3.44Å; I173-K176 PolarHBondContact O-N 2.89Å; I173-F177 HydrophobicContact CG2-CD2 4.12Å; I173-F177 WeakPolarHBondContact O-CB 3.14Å; I173-F177 WeakPolarHBondContact O-CD2 3.43Å; I173-F177 PolarHBondContact O-N 3.44Å; I173-C238 HydrophobicContact CG2-CB 4.05Å; I173-I242 HydrophobicContact CG2-CD1 4Å
174Q94.9Very high90.3Very high1 Ų150.1 Ų50.11%0.00525%0.25CS..Hα-helixtrans-60.7-46.2-178.6-72.3178.1-14.500112.6V170 D171 K178 C179 W188 S215 C216V170-Q174 WeakPolarHBondContact O-CG 3.46Å; V170-Q174 PolarHBondContact O-N 2.95Å; D171-Q174 PolarHBondContact O-N 3.46Å; Q174-K178 VanDerWaalsContact O-CA 3.24Å; Q174-K178 WeakPolarHBondContact O-CA 3.23Å; Q174-K178 PolarHBondContact O-N 2.89Å; Q174-C179 WeakPolarHBondContact CA-O 3.48Å; Q174-C179 WeakPolarHBondContact CB-O 3.42Å; Q174-C179 PolarHBondContact O-N 3.13Å; Q174-W188 VanDerWaalsContact NE2-CZ2 3.31Å; Q174-S215 WeakPolarHBondContact CB-O 3.34Å; Q174-S215 PolarHBondContact OE1-OG 3.28Å; Q174-C216 PolarHBondContact NE2-SG 3.23Å; Q174-C216 PolarHBondContact OE1-SG 2.67Å; Q174-C216 VanDerWaalsContact OE1-SG 3.37Å
175Q93.8Very high91.6Very high75 Ų7543.7 Ų43.735%0.3522%0.219SC..Hα-helixtrans-70.7-40.3178.1-72.5-69.6-4900112.6D171 H172 I173 S215 C217D171-Q175 WeakPolarHBondContact O-CB 3.24Å; D171-Q175 WeakPolarHBondContact O-CG 3.3Å; D171-Q175 PolarHBondContact O-N 3.32Å; H172-Q175 PolarHBondContact O-N 3.12Å; I173-Q175 PolarHBondContact O-N 3.44Å; Q175-S215 VanDerWaalsContact NE2-C 3.35Å; Q175-S215 PolarHBondContact NE2-O 2.81Å; Q175-C217 PolarHBondContact NE2-O 3.4Å; Q175-C217 VanDerWaalsContact NE2-O 3.12Å
176K92.5Very high92.4Very high137 Ų13749.9 Ų49.960%0.59623%0.232SC*.Hα-helixtrans-66.8-43.9-178.1178.660.5179.7178.80111.9H172 I173H172-K176 WeakPolarHBondContact O-CB 3.35Å; H172-K176 PolarHBondContact O-N 3.26Å; I173-K176 PolarHBondContact O-N 2.89Å
177F93.3Very high92.9Very high54 Ų5450.4 Ų50.424%0.23723%0.234CC..Hα-helixtrans-99.33.6-176.8-64.1-78.1000113.4I173 C179 I242 N245I173-F177 HydrophobicContact CG2-CD2 4.12Å; I173-F177 WeakPolarHBondContact O-CB 3.14Å; I173-F177 WeakPolarHBondContact O-CD2 3.43Å; I173-F177 PolarHBondContact O-N 3.44Å; F177-C179 VanDerWaalsContact C-N 3.34Å; F177-C179 PolarHBondContact O-N 3.46Å; F177-I242 HydrophobicContact CB-CG1 4.36Å; F177-I242 HydrophobicContact CD1-CG1 3.93Å; F177-I242 HydrophobicContact CD2-CD1 4.3Å; F177-I242 HydrophobicContact CD2-CG1 3.64Å; F177-I242 HydrophobicContact CE1-CG1 4.07Å; F177-I242 HydrophobicContact CE2-CD1 4.4Å; F177-I242 HydrophobicContact CE2-CG1 3.81Å; F177-I242 HydrophobicContact CG-CG1 3.71Å; F177-I242 HydrophobicContact CZ-CG1 4.02Å; F177-N245 HydrophobicContact CD1-CB 3.95Å; F177-N245 HydrophobicContact CE1-CB 3.95Å
178K95.3Very high93.3Very high141 Ų14148.4 Ų48.461%0.61322%0.224SC*.THydrogen-bonded Turntrans52.750.8177.5-60.8-178.5-178.8176.50112.4Q174 Y234Q174-K178 VanDerWaalsContact O-CA 3.24Å; Q174-K178 WeakPolarHBondContact O-CA 3.23Å; Q174-K178 PolarHBondContact O-N 2.89Å; K178-Y234 HydrophobicContact CB-CD1 3.9Å; K178-Y234 HydrophobicContact CB-CE1 3.56Å; K178-Y234 HydrophobicContact CB-CE2 4.35Å; K178-Y234 HydrophobicContact CB-CG 4.45Å; K178-Y234 HydrophobicContact CD-CE1 4.48Å; K178-Y234 HydrophobicContact CG-CE1 4.02Å; K178-Y234 WeakPolarHBondContact O-CB 3.39Å; K178-Y234 VanDerWaalsContact O-CD1 3.29Å; K178-Y234 WeakPolarHBondContact O-CD1 3.39Å; K178-Y234 VanDerWaalsContact O-CG 3.3Å
179C96.1Very high93.5Very high0 Ų048.5 Ų48.50%022%0.218CC..  trans-134.6165.9-172.160.30000110.8Q174 F177 E236 C238Q174-C179 WeakPolarHBondContact CA-O 3.48Å; Q174-C179 WeakPolarHBondContact CB-O 3.42Å; Q174-C179 PolarHBondContact O-N 3.13Å; F177-C179 VanDerWaalsContact C-N 3.34Å; F177-C179 PolarHBondContact O-N 3.46Å; C179-E236 CarbonylContact C-O 3.1Å; C179-E236 VanDerWaalsContact CA-O 3.26Å; C179-E236 WeakPolarHBondContact CA-O 3.3Å; C179-E236 WeakPolarHBondContact CB-O 3.39Å; C179-C238 VanDerWaalsContact CB-CA 3.45Å; C179-C238 HydrophobicContact CB-CB 3.85Å; C179-C238 WeakPolarHBondContact CB-SG 3.37Å; C179-C238 WeakPolarHBondContact SG-CA 3.44Å; C179-C238 WeakPolarHBondContact SG-CB 3.34Å; C179-C238 CovalentContact SG-SG 2.04Å; C179-C238 PolarHBondContact SG-SG 2.98Å
180C96.4Very high93.5Very high0 Ų054.6 Ų54.60%025%0.251CS..  trans-140.9133.1173.8-172.90000111.3S184 Y185 C216 V233 Y234 E236C180-S184 CarbonylContact O-C 3.58Å; C180-Y185 PolarHBondContact O-N 3.32Å; C180-Y185 VanDerWaalsContact O-N 3.07Å; C180-Y185 VanDerWaalsContact SG-CB 3.54Å; C180-C216 VanDerWaalsContact CA-SG 3.58Å; C180-C216 HydrophobicContact CB-CB 3.63Å; C180-C216 WeakPolarHBondContact CB-SG 3.43Å; C180-C216 WeakPolarHBondContact SG-CB 3.33Å; C180-C216 CovalentContact SG-SG 2.03Å; C180-C216 PolarHBondContact SG-SG 3Å; C180-V233 HydrophobicContact CB-CG1 4.2Å; C180-Y234 WeakPolarHBondContact CB-O 3.08Å; C180-E236 PolarHBondContact N-O 2.97Å
181G94.9Very high93.6Very high0 Ų054.5 Ų54.50%025%0.25CS..SBendtrans68.1-170-173.100000112.9M155 S184 C238M155-G181 VanDerWaalsContact CE-C 3.4Å; G181-S184 WeakPolarHBondContact CA-O 3.47Å; G181-C238 WeakPolarHBondContact O-CB 3.29Å; G181-C238 PolarHBondContact O-N 3.39Å; G181-C238 PolarHBondContact O-SG 3.28Å
182S94.8Very high93.5Very high0 Ų054.8 Ų54.80%025%0.254CS..SBendtrans-88-59.3-177.3-1790000110.3A148 D187 G237 C238 M239A148-S182 VanDerWaalsContact C-OG 3.28Å; A148-S182 VanDerWaalsContact CA-OG 3.26Å; A148-S182 WeakPolarHBondContact CA-OG 3.27Å; A148-S182 WeakPolarHBondContact O-CB 3.08Å; A148-S182 PolarHBondContact O-OG 2.99Å; S182-D187 VanDerWaalsContact CA-OD2 3.3Å; S182-D187 WeakPolarHBondContact CA-OD2 3.38Å; S182-D187 VanDerWaalsContact CB-OD2 3.31Å; S182-D187 WeakPolarHBondContact CB-OD2 3.41Å; S182-D187 PolarHBondContact N-OD2 3.25Å; S182-G237 CarbonylContact O-C 3.51Å; S182-G237 WeakPolarHBondContact O-CA 3.47Å; S182-C238 PolarHBondContact O-N 3.44Å; S182-M239 PolarHBondContact O-N 3.28Å
183R95.2Very high93.5Very high109 Ų10951 Ų5141%0.41124%0.236SC..SBendtrans-99.1-32.3172.9-62.8-175177.2109-2.3111.3E145 A148 D149 D187 G237E145-R183 IonicContact OE2-CZ 3.46Å; E145-R183 IonicContact OE2-NE 3.44Å; E145-R183 PolarHBondContact OE2-NE 2.99Å; E145-R183 IonicContact OE2-NH2 3.7Å; E145-R183 PolarHBondContact OE2-NH2 3.19Å; A148-R183 HydrophobicContact CB-CG 4.23Å; D149-R183 IonicContact OD1-CZ 2.74Å; D149-R183 IonicContact OD1-NH1 3.18Å; D149-R183 PolarHBondContact OD1-NH1 3.46Å; D149-R183 IonicContact OD1-NH2 2.68Å; D149-R183 PolarHBondContact OD1-NH2 3.43Å; D149-R183 IonicContact OD2-NH2 2.79Å; R183-D187 PolarHBondContact N-OD2 2.86Å; R183-G237 WeakPolarHBondContact O-CA 3.47Å
184S94.3Very high93.5Very high33 Ų3350.9 Ų50.923%0.23124%0.235CC..  trans-159.8159.1-179.3-176.50000111.5C180 G181 R186 D187C180-S184 CarbonylContact O-C 3.58Å; G181-S184 WeakPolarHBondContact CA-O 3.47Å; S184-R186 PolarHBondContact O-N 2.86Å; S184-R186 PolarHBondContact OG-N 2.97Å; S184-D187 PolarHBondContact N-OD2 3.22Å; S184-D187 VanDerWaalsContact O-CB 3.3Å; S184-D187 WeakPolarHBondContact O-CB 3.4Å; S184-D187 PolarHBondContact O-N 3.02Å
185Y93.7Very high93.2Very high56 Ų5655.3 Ų55.322%0.2226%0.259CS..G310 helixtrans-54.5-22.6170.875.6-87.7000113.1C180 D187 W188 L210 P228C180-Y185 PolarHBondContact O-N 3.32Å; C180-Y185 VanDerWaalsContact O-N 3.07Å; C180-Y185 VanDerWaalsContact SG-CB 3.54Å; Y185-D187 PolarHBondContact O-N 3.2Å; Y185-W188 PolarHBondContact O-N 3.38Å; Y185-L210 HydrophobicContact CD2-CD2 3.43Å; Y185-L210 VanDerWaalsContact CD2-CD2 3.43Å; Y185-L210 HydrophobicContact CE2-CD2 3.5Å; Y185-L210 VanDerWaalsContact CE2-CD2 3.5Å; Y185-P228 HydrophobicContact CD2-CB 4.43Å
186R93.3Very high92.9Very high162 Ų16257.2 Ų57.261%0.61126%0.264SS*.G310 helixtrans-66.3-17.6176-66.3-176.5172.4-169.4-2.6114.1S184 W188 T189 L210S184-R186 PolarHBondContact O-N 2.86Å; S184-R186 PolarHBondContact OG-N 2.97Å; R186-W188 PolarHBondContact O-N 2.66Å; R186-W188 VanDerWaalsContact O-N 3.08Å; R186-T189 VanDerWaalsContact O-CB 3.29Å; R186-T189 WeakPolarHBondContact O-CB 3.14Å; R186-T189 PolarHBondContact O-N 2.99Å; R186-T189 PolarHBondContact O-OG1 2.76Å; R186-L210 HydrophobicContact CG-CD2 4.49Å
187D94.4Very high92.7Very high23 Ų2350.8 Ų50.812%0.12324%0.236CC..G310 helixtrans-61.3-19.7177.9-62.8-14.2000112.2M152 Q156 S182 R183 S184 Y185 T189M152-D187 HydrophobicContact CG-CB 4.22Å; Q156-D187 WeakPolarHBondContact CG-O 3.49Å; Q156-D187 PolarHBondContact NE2-O 3.16Å; S182-D187 VanDerWaalsContact CA-OD2 3.3Å; S182-D187 WeakPolarHBondContact CA-OD2 3.38Å; S182-D187 VanDerWaalsContact CB-OD2 3.31Å; S182-D187 WeakPolarHBondContact CB-OD2 3.41Å; S182-D187 PolarHBondContact N-OD2 3.25Å; R183-D187 PolarHBondContact N-OD2 2.86Å; S184-D187 PolarHBondContact N-OD2 3.22Å; S184-D187 VanDerWaalsContact O-CB 3.3Å; S184-D187 WeakPolarHBondContact O-CB 3.4Å; S184-D187 PolarHBondContact O-N 3.02Å; Y185-D187 PolarHBondContact O-N 3.2Å; D187-T189 VanDerWaalsContact C-N 3.27Å; D187-T189 PolarHBondContact O-N 3.45Å
188W94.5Very high92.3Very high2 Ų252.9 Ų52.91%0.00825%0.245CC..G310 helixtrans-71.6-15.2173.8-69.9105.4000114.1M155 Y159 V170 Q174 Y185 R186 D190 S191 F193 Q194 L210 V212 P213M155-W188 HydrophobicContact CB-CH2 4Å; M155-W188 HydrophobicContact CB-CZ2 4.24Å; M155-W188 HydrophobicContact CB-CZ3 4.42Å; M155-W188 HydrophobicContact CG-CH2 4.26Å; M155-W188 HydrophobicContact CG-CZ2 4.23Å; M155-W188 HydrophobicContact SD-CH2 4.47Å; M155-W188 HydrophobicContact SD-CZ2 3.86Å; Y159-W188 AromaticContact CD1-CH2 3.88Å; Y159-W188 HydrophobicContact CD1-CH2 3.88Å; Y159-W188 AromaticContact CD1-CZ3 3.74Å; Y159-W188 HydrophobicContact CD1-CZ3 3.74Å; Y159-W188 AromaticContact CD2-CH2 3.76Å; Y159-W188 HydrophobicContact CD2-CH2 3.76Å; Y159-W188 HydrophobicContact CD2-CZ3 4.38Å; Y159-W188 HydrophobicContact CE1-CH2 4.21Å; Y159-W188 HydrophobicContact CE1-CZ3 4.27Å; Y159-W188 HydrophobicContact CE2-CH2 4.09Å; Y159-W188 AromaticContact CG-CH2 3.64Å; Y159-W188 HydrophobicContact CG-CH2 3.64Å; Y159-W188 AromaticContact CG-CZ3 3.8Å; Y159-W188 HydrophobicContact CG-CZ3 3.8Å; V170-W188 HydrophobicContact CG1-CH2 4.05Å; V170-W188 HydrophobicContact CG1-CZ2 3.91Å; Q174-W188 VanDerWaalsContact NE2-CZ2 3.31Å; Y185-W188 PolarHBondContact O-N 3.38Å; R186-W188 PolarHBondContact O-N 2.66Å; R186-W188 VanDerWaalsContact O-N 3.08Å; W188-D190 VanDerWaalsContact C-N 3.26Å; W188-D190 PolarHBondContact O-N 3.37Å; W188-S191 WeakPolarHBondContact O-CB 3.29Å; W188-S191 PolarHBondContact O-N 2.94Å; W188-S191 VanDerWaalsContact O-N 3.16Å; W188-S191 PolarHBondContact O-OG 3.33Å; W188-F193 HydrophobicContact CE3-CB 4.02Å; W188-F193 AromaticContact CE3-CD1 3.99Å; W188-F193 HydrophobicContact CE3-CD1 3.99Å; W188-F193 HydrophobicContact CE3-CG 4.25Å; W188-F193 HydrophobicContact CZ3-CB 3.9Å; W188-F193 HydrophobicContact CZ3-CD1 4.37Å; W188-F193 HydrophobicContact CZ3-CG 4.22Å; W188-Q194 VanDerWaalsContact O-CB 3.23Å; W188-Q194 WeakPolarHBondContact O-CB 3.32Å; W188-L210 HydrophobicContact CB-CD1 4.05Å; W188-V212 HydrophobicContact CB-CG1 4.15Å; W188-V212 HydrophobicContact CG-CB 4.4Å; W188-V212 HydrophobicContact CG-CG1 4.05Å; W188-P213 HydrophobicContact CD2-CG 4.16Å; W188-P213 HydrophobicContact CE3-CG 4.12Å; W188-P213 HydrophobicContact CH2-CG 3.51Å; W188-P213 HydrophobicContact CZ2-CG 3.53Å; W188-P213 HydrophobicContact CZ3-CG 3.8Å
189T91.8Very high91.8Very high61 Ų6155.8 Ų55.837%0.37425%0.252SS..G310 helixtrans-58.1-37.7-175.4-53.10000112.8R186 D187 Q194 L210R186-T189 VanDerWaalsContact O-CB 3.29Å; R186-T189 WeakPolarHBondContact O-CB 3.14Å; R186-T189 PolarHBondContact O-N 2.99Å; R186-T189 PolarHBondContact O-OG1 2.76Å; D187-T189 VanDerWaalsContact C-N 3.27Å; D187-T189 PolarHBondContact O-N 3.45Å; T189-Q194 WeakPolarHBondContact O-CG 3.32Å; T189-L210 WeakPolarHBondContact OG1-CD1 3.49Å
190D88.6Confident91.2Very high127 Ų12759.4 Ų59.468%0.67927%0.271SS*.G310 helixtrans-105.326-176.8-59.4-44.1000112.4W188W188-D190 VanDerWaalsContact C-N 3.26Å; W188-D190 PolarHBondContact O-N 3.37Å
191S92.2Very high90.2Very high0 Ų067.8 Ų67.80%031%0.311CS..SBendtrans-92.5155-177.7690000113.8Q156 W188 F193 Q194 N195Q156-S191 CarbonylContact O-C 3.51Å; Q156-S191 WeakPolarHBondContact O-CA 3.41Å; W188-S191 WeakPolarHBondContact O-CB 3.29Å; W188-S191 PolarHBondContact O-N 2.94Å; W188-S191 VanDerWaalsContact O-N 3.16Å; W188-S191 PolarHBondContact O-OG 3.33Å; S191-F193 PolarHBondContact O-N 3.09Å; S191-F193 PolarHBondContact OG-N 3.45Å; S191-Q194 PolarHBondContact O-N 3.45Å; S191-Q194 VanDerWaalsContact O-N 3.17Å; S191-Q194 PolarHBondContact OG-N 2.91Å; S191-N195 PolarHBondContact O-N 3.37Å; S191-N195 VanDerWaalsContact O-N 3.15Å
192V91.3Very high89.2Confident57 Ų5771.2 Ų71.235%0.34533%0.328SS..Hα-helixtrans-56-35166.6174.20000110.7Q156 N195 Y196Q156-V192 WeakPolarHBondContact O-CG2 3.08Å; Q156-V192 PolarHBondContact O-N 2.91Å; V192-N195 PolarHBondContact O-N 3.46Å; V192-Y196 WeakPolarHBondContact O-CB 3.31Å; V192-Y196 PolarHBondContact O-N 3.49Å
193F91.2Very high88Confident26 Ų2671.8 Ų71.811%0.11433%0.331CS..Hα-helixtrans-61.1-44.6175.2178-97.4000113.4Y159 L160 W188 S191 Y196 S197 V211 P213Y159-F193 HydrophobicContact CD1-CB 3.93Å; Y159-F193 AromaticContact CD1-CD2 3.82Å; Y159-F193 HydrophobicContact CD1-CD2 3.82Å; Y159-F193 HydrophobicContact CD1-CG 4.1Å; Y159-F193 HydrophobicContact CE1-CB 4.49Å; Y159-F193 AromaticContact CE1-CD2 3.56Å; Y159-F193 HydrophobicContact CE1-CD2 3.56Å; Y159-F193 HydrophobicContact CE1-CE2 4.06Å; Y159-F193 HydrophobicContact CE1-CG 4.16Å; L160-F193 HydrophobicContact CD1-CB 4.33Å; L160-F193 HydrophobicContact CD1-CD2 3.6Å; L160-F193 HydrophobicContact CD1-CE2 4.41Å; L160-F193 HydrophobicContact CD1-CG 4.4Å; L160-F193 HydrophobicContact CG-CD2 4Å; W188-F193 HydrophobicContact CE3-CB 4.02Å; W188-F193 AromaticContact CE3-CD1 3.99Å; W188-F193 HydrophobicContact CE3-CD1 3.99Å; W188-F193 HydrophobicContact CE3-CG 4.25Å; W188-F193 HydrophobicContact CZ3-CB 3.9Å; W188-F193 HydrophobicContact CZ3-CD1 4.37Å; W188-F193 HydrophobicContact CZ3-CG 4.22Å; S191-F193 PolarHBondContact O-N 3.09Å; S191-F193 PolarHBondContact OG-N 3.45Å; F193-Y196 PolarHBondContact O-N 3.42Å; F193-S197 WeakPolarHBondContact O-CB 3.25Å; F193-S197 PolarHBondContact O-N 3.38Å; F193-S197 PolarHBondContact O-OG 2.98Å; F193-V211 HydrophobicContact CE1-CB 4.48Å; F193-V211 HydrophobicContact CE1-CG1 3.75Å; F193-V211 HydrophobicContact CZ-CG1 4.1Å; F193-P213 HydrophobicContact CD1-CG 4.24Å; F193-P213 HydrophobicContact CD2-CG 4.46Å; F193-P213 HydrophobicContact CE1-CG 4.02Å; F193-P213 HydrophobicContact CE2-CG 4.3Å; F193-P213 HydrophobicContact CG-CG 4.46Å; F193-P213 HydrophobicContact CZ-CB 4.4Å; F193-P213 HydrophobicContact CZ-CG 4.08Å
194Q90.5Very high86.6Confident4 Ų470.7 Ų70.72%0.01934%0.338CS..Hα-helixtrans-63.9-42175.217866.63.800111.2W188 T189 S191 S197 K198 S209 V211W188-Q194 VanDerWaalsContact O-CB 3.23Å; W188-Q194 WeakPolarHBondContact O-CB 3.32Å; T189-Q194 WeakPolarHBondContact O-CG 3.32Å; S191-Q194 PolarHBondContact O-N 3.45Å; S191-Q194 VanDerWaalsContact O-N 3.17Å; S191-Q194 PolarHBondContact OG-N 2.91Å; Q194-S197 PolarHBondContact O-N 3.18Å; Q194-K198 HydrophobicContact CG-CD 4.5Å; Q194-K198 WeakPolarHBondContact O-CB 3.41Å; Q194-K198 WeakPolarHBondContact O-CG 3.26Å; Q194-K198 PolarHBondContact O-N 3.43Å; Q194-S209 PolarHBondContact NE2-O 3.44Å; Q194-V211 PolarHBondContact OE1-O 2.9Å
195N88.9Confident85.3Confident94 Ų9476.4 Ų76.450%0.50336%0.356SS..Hα-helixtrans-64.9-40.6176.6-73.5-30000112.6S191 V192 R199S191-N195 PolarHBondContact O-N 3.37Å; S191-N195 VanDerWaalsContact O-N 3.15Å; V192-N195 PolarHBondContact O-N 3.46Å; N195-R199 PolarHBondContact O-N 3.28Å; N195-R199 VanDerWaalsContact O-N 3.09Å
196Y88.5Confident83.8Confident116 Ų11678.3 Ų78.346%0.45538%0.375SS..Hα-helixtrans-63.9-44.4174.2178.6-91.8000111.4L160 V192 F193 K198 R199 N200 I202L160-Y196 HydrophobicContact CD1-CD1 3.69Å; L160-Y196 HydrophobicContact CD1-CD2 4.5Å; L160-Y196 HydrophobicContact CD1-CE1 4.33Å; L160-Y196 HydrophobicContact CD1-CG 3.79Å; V192-Y196 WeakPolarHBondContact O-CB 3.31Å; V192-Y196 PolarHBondContact O-N 3.49Å; F193-Y196 PolarHBondContact O-N 3.42Å; Y196-K198 PolarHBondContact O-N 2.93Å; Y196-R199 PolarHBondContact O-N 2.92Å; Y196-N200 WeakPolarHBondContact CD1-ND2 3.44Å; Y196-N200 VanDerWaalsContact CD2-ND2 3.26Å; Y196-N200 WeakPolarHBondContact CD2-ND2 3.33Å; Y196-N200 VanDerWaalsContact CE1-ND2 3.31Å; Y196-N200 WeakPolarHBondContact CE1-ND2 3.44Å; Y196-N200 WeakPolarHBondContact CE2-ND2 3.37Å; Y196-N200 PolarHBondContact O-N 3.42Å; Y196-N200 PolarHBondContact O-ND2 3.45Å; Y196-I202 HydrophobicContact CE1-CD1 4.41Å
197S87.6Confident82.3Confident1 Ų176.9 Ų76.91%0.00738%0.375CS..Hα-helixtrans-64.9-38.7179.5-60.50000112.4F193 Q194 E201 I202F193-S197 WeakPolarHBondContact O-CB 3.25Å; F193-S197 PolarHBondContact O-N 3.38Å; F193-S197 PolarHBondContact O-OG 2.98Å; Q194-S197 PolarHBondContact O-N 3.18Å; S197-E201 PolarHBondContact O-N 3.2Å; S197-I202 PolarHBondContact O-N 2.96Å
198K84.9Confident80.8Confident98 Ų9885.2 Ų85.243%0.42641%0.406SS..Hα-helixtrans-59.2-48.1170.6-80.2176.3174.4179.80112.1Q194 Y196 E201 L203Q194-K198 HydrophobicContact CG-CD 4.5Å; Q194-K198 WeakPolarHBondContact O-CB 3.41Å; Q194-K198 WeakPolarHBondContact O-CG 3.26Å; Q194-K198 PolarHBondContact O-N 3.43Å; Y196-K198 PolarHBondContact O-N 2.93Å; K198-E201 PolarHBondContact O-N 3.34Å; K198-L203 HydrophobicContact CB-CD1 4.21Å; K198-L203 HydrophobicContact CD-CD1 4.47Å; K198-L203 HydrophobicContact CG-CD1 3.34Å; K198-L203 HydrophobicContact CG-CG 4.36Å
199R84.5Confident80.2Confident203 Ų20385.9 Ų85.977%0.76641%0.411SS*.Hα-helixtrans-67.7-35.5-176-172.6-175-65170.80.3113.1N195 Y196 E201N195-R199 PolarHBondContact O-N 3.28Å; N195-R199 VanDerWaalsContact O-N 3.09Å; Y196-R199 PolarHBondContact O-N 2.92Å; R199-E201 VanDerWaalsContact C-N 3.31Å
200N84.5Confident80.1Confident76 Ų7684.2 Ų84.241%0.40640%0.4SS..THydrogen-bonded Turntrans-9316.8-177.4-64.9-68.6000113.4Y196 I202Y196-N200 WeakPolarHBondContact CD1-ND2 3.44Å; Y196-N200 VanDerWaalsContact CD2-ND2 3.26Å; Y196-N200 WeakPolarHBondContact CD2-ND2 3.33Å; Y196-N200 VanDerWaalsContact CE1-ND2 3.31Å; Y196-N200 WeakPolarHBondContact CE1-ND2 3.44Å; Y196-N200 WeakPolarHBondContact CE2-ND2 3.37Å; Y196-N200 PolarHBondContact O-N 3.42Å; Y196-N200 PolarHBondContact O-ND2 3.45Å; N200-I202 HydrophobicContact CB-CD1 4.26Å; N200-I202 HydrophobicContact CB-CG1 4.12Å; N200-I202 PolarHBondContact O-N 3.5Å
201E74.8Confident80.2Confident176 Ų17678.3 Ų78.382%0.82237%0.368SS*.THydrogen-bonded Turntrans53.629.2176.2-57.3-176.4148.400114S197 K198 R199 L203S197-E201 PolarHBondContact O-N 3.2Å; K198-E201 PolarHBondContact O-N 3.34Å; R199-E201 VanDerWaalsContact C-N 3.31Å; E201-L203 PolarHBondContact O-N 3.35Å
202I72.9Confident80.3Confident71 Ų7178.4 Ų78.436%0.36437%0.369SS..  trans-71.6-22.4175.1-57.4177.3000110Y196 S197 N200 P204 T226Y196-I202 HydrophobicContact CE1-CD1 4.41Å; S197-I202 PolarHBondContact O-N 2.96Å; N200-I202 HydrophobicContact CB-CD1 4.26Å; N200-I202 HydrophobicContact CB-CG1 4.12Å; N200-I202 PolarHBondContact O-N 3.5Å; I202-P204 WeakPolarHBondContact O-CD 3.47Å; I202-T226 HydrophobicContact CG2-CG2 3.7Å
203L71.3Confident80.4Confident12 Ų1275.8 Ų75.86%0.06335%0.353CS..  trans-72.5120.7178.5-61.1-170.4000111.2K198 E201 Y205 V211K198-L203 HydrophobicContact CB-CD1 4.21Å; K198-L203 HydrophobicContact CD-CD1 4.47Å; K198-L203 HydrophobicContact CG-CD1 3.34Å; K198-L203 HydrophobicContact CG-CG 4.36Å; E201-L203 PolarHBondContact O-N 3.35Å; L203-Y205 PolarHBondContact O-N 3.23Å; L203-V211 HydrophobicContact CD2-CB 3.9Å; L203-V211 HydrophobicContact CD2-CG2 3.04Å
204P65Low80.5Confident86 Ų8677.5 Ų77.556%0.55836%0.363SS*.SBendtrans-66.3-18.917126.1-31.4000112.1I202I202-P204 WeakPolarHBondContact O-CD 3.47Å
205Y66.9Low80.7Confident154 Ų15477.9 Ų77.960%0.60437%0.366SS*.SBendtrans-142.294.1178.6-150-91.7000111.3L203 E207 S209L203-Y205 PolarHBondContact O-N 3.23Å; Y205-E207 HydrophobicContact CD1-CB 4.39Å; Y205-E207 HydrophobicContact CE1-CB 4.27Å; Y205-E207 PolarHBondContact O-N 2.91Å; Y205-E207 VanDerWaalsContact O-N 3.08Å; Y205-S209 WeakPolarHBondContact O-CB 3.02Å; Y205-S209 PolarHBondContact O-N 3.48Å; Y205-S209 PolarHBondContact O-OG 2.97Å
206P61.8Low81.1Confident96 Ų9673.4 Ų73.462%0.62334%0.343SS*.THydrogen-bonded Turntrans-66.4-18-164.323.2-33000114.8
207E63.1Low81.4Confident131 Ų13167.9 Ų67.961%0.61232%0.321SS*.THydrogen-bonded Turntrans-80.7-32.4-169.5-143.5176.4167.700113.3Y205Y205-E207 HydrophobicContact CD1-CB 4.39Å; Y205-E207 HydrophobicContact CE1-CB 4.27Å; Y205-E207 PolarHBondContact O-N 2.91Å; Y205-E207 VanDerWaalsContact O-N 3.08Å
208Y62.6Low81.8Confident199 Ų19971.1 Ų71.178%0.7834%0.34SS*.THydrogen-bonded Turntrans-150.89.8-174.5-68.9-79.2000115.7L210Y208-L210 PolarHBondContact O-N 3.27Å
209S81.2Confident82.2Confident15 Ų1575.9 Ų75.911%0.10536%0.356CS..  trans-80.8119.1178.256.50000111.7Q194 Y205Q194-S209 PolarHBondContact NE2-O 3.44Å; Y205-S209 WeakPolarHBondContact O-CB 3.02Å; Y205-S209 PolarHBondContact O-N 3.48Å; Y205-S209 PolarHBondContact O-OG 2.97Å
210L89.2Confident82.3Confident27 Ų2772 Ų7214%0.14136%0.359CS..  trans-70.8138.3163.4173.663.7000108.7Y185 R186 W188 T189 Y208 V212 P228Y185-L210 HydrophobicContact CD2-CD2 3.43Å; Y185-L210 VanDerWaalsContact CD2-CD2 3.43Å; Y185-L210 HydrophobicContact CE2-CD2 3.5Å; Y185-L210 VanDerWaalsContact CE2-CD2 3.5Å; R186-L210 HydrophobicContact CG-CD2 4.49Å; W188-L210 HydrophobicContact CB-CD1 4.05Å; T189-L210 WeakPolarHBondContact OG1-CD1 3.49Å; Y208-L210 PolarHBondContact O-N 3.27Å; L210-V212 HydrophobicContact CG-CG1 4.45Å; L210-P228 HydrophobicContact CB-CG 4.24Å; L210-P228 HydrophobicContact CD2-CG 4.45Å; L210-P228 HydrophobicContact CG-CG 4.26Å; L210-P228 WeakPolarHBondContact O-CD 3.33Å; L210-P228 WeakPolarHBondContact O-CG 3.36Å
211V91.1Very high82.6Confident3 Ų372.4 Ų72.42%0.01837%0.365CS..  trans-123.2142.8169.6172.30000110F193 Q194 L203 G225 T226F193-V211 HydrophobicContact CE1-CB 4.48Å; F193-V211 HydrophobicContact CE1-CG1 3.75Å; F193-V211 HydrophobicContact CZ-CG1 4.1Å; Q194-V211 PolarHBondContact OE1-O 2.9Å; L203-V211 HydrophobicContact CD2-CB 3.9Å; L203-V211 HydrophobicContact CD2-CG2 3.04Å; V211-G225 WeakPolarHBondContact CA-O 3.42Å; V211-G225 WeakPolarHBondContact CG1-O 3.36Å; V211-T226 WeakPolarHBondContact CG2-O 3.45Å
212V93.6Very high83.3Confident2 Ų272.7 Ų72.71%0.01236%0.363CS..  trans-121156.5177.9-58.90000108.8W188 L210 C216 G225 P228 V233W188-V212 HydrophobicContact CB-CG1 4.15Å; W188-V212 HydrophobicContact CG-CB 4.4Å; W188-V212 HydrophobicContact CG-CG1 4.05Å; L210-V212 HydrophobicContact CG-CG1 4.45Å; V212-C216 HydrophobicContact CB-CB 4.04Å; V212-C216 HydrophobicContact CG2-CB 3.7Å; V212-G225 PolarHBondContact N-O 3.48Å; V212-G225 VanDerWaalsContact N-O 3.08Å; V212-G225 CarbonylContact O-C 3.56Å; V212-G225 VanDerWaalsContact O-CA 3.32Å; V212-G225 WeakPolarHBondContact O-CA 3.41Å; V212-P228 HydrophobicContact CG2-CB 4.33Å; V212-V233 HydrophobicContact CG2-CG1 4.2Å; V212-V233 HydrophobicContact CG2-CG2 3.84Å
213P93.9Very high84Confident2 Ų272.4 Ų72.41%0.01337%0.367CS..  trans-58.5152.2171.1-28.738.4000112.6Y159 W188 F193 S215 C216Y159-P213 HydrophobicContact CD1-CG 4.43Å; Y159-P213 HydrophobicContact CE1-CB 4.26Å; Y159-P213 HydrophobicContact CE1-CG 3.64Å; Y159-P213 HydrophobicContact CE2-CG 4.38Å; Y159-P213 WeakPolarHBondContact OH-CB 3.43Å; W188-P213 HydrophobicContact CD2-CG 4.16Å; W188-P213 HydrophobicContact CE3-CG 4.12Å; W188-P213 HydrophobicContact CH2-CG 3.51Å; W188-P213 HydrophobicContact CZ2-CG 3.53Å; W188-P213 HydrophobicContact CZ3-CG 3.8Å; F193-P213 HydrophobicContact CD1-CG 4.24Å; F193-P213 HydrophobicContact CD2-CG 4.46Å; F193-P213 HydrophobicContact CE1-CG 4.02Å; F193-P213 HydrophobicContact CE2-CG 4.3Å; F193-P213 HydrophobicContact CG-CG 4.46Å; F193-P213 HydrophobicContact CZ-CB 4.4Å; F193-P213 HydrophobicContact CZ-CG 4.08Å; P213-S215 WeakPolarHBondContact CB-OG 3.45Å; P213-S215 PolarHBondContact O-N 2.91Å; P213-S215 VanDerWaalsContact O-N 3.13Å; P213-C216 VanDerWaalsContact O-CB 3.29Å; P213-C216 WeakPolarHBondContact O-CB 3.35Å; P213-C216 PolarHBondContact O-N 2.85Å
214D93.9Very high85Confident62 Ų6272.8 Ų72.833%0.33237%0.371SS..G310 helixtrans-62.8-20.2177.1-76.7-22.3000112.5C216 C217 S223 C224 G225D214-C216 PolarHBondContact O-N 2.99Å; D214-C217 VanDerWaalsContact O-CB 3.23Å; D214-C217 WeakPolarHBondContact O-CB 3.32Å; D214-C217 PolarHBondContact O-N 3.35Å; D214-S223 VanDerWaalsContact CG-N 3.32Å; D214-S223 VanDerWaalsContact OD1-CA 3.3Å; D214-S223 WeakPolarHBondContact OD1-CA 3.35Å; D214-S223 PolarHBondContact OD1-N 3.43Å; D214-S223 PolarHBondContact OD2-N 3.47Å; D214-C224 PolarHBondContact OD1-N 3.13Å; D214-G225 PolarHBondContact OD1-N 3.03Å
215S94.7Very high86.2Confident12 Ų1268.7 Ų68.78%0.08434%0.344CS..G310 helixtrans-65.7-14.2170.4520000114.2D171 Q174 Q175 P213 C217D171-S215 VanDerWaalsContact CA-CB 3.46Å; D171-S215 PolarHBondContact OD1-OG 3.46Å; Q174-S215 WeakPolarHBondContact CB-O 3.34Å; Q174-S215 PolarHBondContact OE1-OG 3.28Å; Q175-S215 VanDerWaalsContact NE2-C 3.35Å; Q175-S215 PolarHBondContact NE2-O 2.81Å; P213-S215 WeakPolarHBondContact CB-OG 3.45Å; P213-S215 PolarHBondContact O-N 2.91Å; P213-S215 VanDerWaalsContact O-N 3.13Å; S215-C217 VanDerWaalsContact C-N 3.27Å
216C96.3Very high87.2Confident0 Ų062.9 Ų62.90%033%0.325CS..G310 helixtrans-79.7-9.2168.7-77.30000113.2Q174 C180 V212 P213 D214 V233 Y234Q174-C216 PolarHBondContact NE2-SG 3.23Å; Q174-C216 PolarHBondContact OE1-SG 2.67Å; Q174-C216 VanDerWaalsContact OE1-SG 3.37Å; C180-C216 VanDerWaalsContact CA-SG 3.58Å; C180-C216 HydrophobicContact CB-CB 3.63Å; C180-C216 WeakPolarHBondContact CB-SG 3.43Å; C180-C216 WeakPolarHBondContact SG-CB 3.33Å; C180-C216 CovalentContact SG-SG 2.03Å; C180-C216 PolarHBondContact SG-SG 3Å; V212-C216 HydrophobicContact CB-CB 4.04Å; V212-C216 HydrophobicContact CG2-CB 3.7Å; P213-C216 VanDerWaalsContact O-CB 3.29Å; P213-C216 WeakPolarHBondContact O-CB 3.35Å; P213-C216 PolarHBondContact O-N 2.85Å; D214-C216 PolarHBondContact O-N 2.99Å; C216-V233 HydrophobicContact CB-CG1 4.01Å; C216-V233 WeakPolarHBondContact O-CA 3.35Å; C216-Y234 WeakPolarHBondContact O-CD2 3.15Å; C216-Y234 PolarHBondContact O-N 3.36Å
217C96.2Very high88.5Confident0 Ų063.6 Ų63.60%032%0.323CS..BIsolated β-bridgetrans-79.9139.9-175.7-72.70000113.1Q175 D214 S215 R219 C224 G225 N232 Y234Q175-C217 PolarHBondContact NE2-O 3.4Å; Q175-C217 VanDerWaalsContact NE2-O 3.12Å; D214-C217 VanDerWaalsContact O-CB 3.23Å; D214-C217 WeakPolarHBondContact O-CB 3.32Å; D214-C217 PolarHBondContact O-N 3.35Å; S215-C217 VanDerWaalsContact C-N 3.27Å; C217-R219 VanDerWaalsContact CB-O 3.27Å; C217-R219 WeakPolarHBondContact CB-O 3.35Å; C217-R219 PolarHBondContact O-N 3.03Å; C217-C224 HydrophobicContact CB-CB 3.86Å; C217-C224 WeakPolarHBondContact CB-SG 3.3Å; C217-C224 WeakPolarHBondContact SG-CB 3.26Å; C217-C224 CovalentContact SG-SG 2.04Å; C217-C224 PolarHBondContact SG-SG 2.93Å; C217-G225 PolarHBondContact SG-N 2.81Å; C217-N232 CarbonylContact C-O 3.58Å; C217-N232 VanDerWaalsContact CA-O 3.3Å; C217-N232 WeakPolarHBondContact CA-O 3.26Å; C217-Y234 WeakPolarHBondContact O-CE2 3.41Å
218V95.4Very high89.7Confident68 Ų6858.9 Ų58.941%0.41230%0.304SS..SBendtrans-63-30.7176.9178.60000111.4N232 Y234V218-N232 PolarHBondContact N-O 2.68Å; V218-Y234 HydrophobicContact CB-CE1 4.22Å; V218-Y234 HydrophobicContact CG1-CE1 4.38Å; V218-Y234 HydrophobicContact CG2-CD1 3.85Å; V218-Y234 HydrophobicContact CG2-CE1 3.81Å; V218-Y234 HydrophobicContact CG2-CG 4.48Å
219R92.5Very high90.9Very high199 Ų19954.4 Ų54.475%0.75129%0.29SS*.SBendtrans-121.6140.8174.3-61.7-178.1-175.8169.31.9108.6C217 V221C217-R219 VanDerWaalsContact CB-O 3.27Å; C217-R219 WeakPolarHBondContact CB-O 3.35Å; C217-R219 PolarHBondContact O-N 3.03Å; R219-V221 HydrophobicContact CB-CG2 3.99Å; R219-V221 PolarHBondContact O-N 3.46Å
220S87.9Confident91.3Very high121 Ų12157.6 Ų57.685%0.84631%0.31SS*.  trans-71.469.5176.659.20000111.4
221V90.3Very high91.4Very high85 Ų8560.9 Ų60.952%0.51534%0.335SS..  trans-110.8129.2177.7-179.70000107.7R219 C224R219-V221 HydrophobicContact CB-CG2 3.99Å; R219-V221 PolarHBondContact O-N 3.46Å; V221-C224 HydrophobicContact CB-CB 4.13Å; V221-C224 VanDerWaalsContact O-CB 3.27Å; V221-C224 WeakPolarHBondContact O-CB 3.31Å; V221-C224 PolarHBondContact O-N 3.25Å
222K89.6Confident91.5Very high182 Ų18263 Ų6379%0.79135%0.346SS*.THydrogen-bonded Turntrans-62136.2178.3-172.1178.3-179.4-179.20110.5C224K222-C224 PolarHBondContact O-N 3.36Å
223S87.7Confident91.5Very high65 Ų6563 Ų6346%0.45535%0.346SS..THydrogen-bonded Turntrans60.228.6179.5-53.30000113.7D214 G225 T226D214-S223 VanDerWaalsContact CG-N 3.32Å; D214-S223 VanDerWaalsContact OD1-CA 3.3Å; D214-S223 WeakPolarHBondContact OD1-CA 3.35Å; D214-S223 PolarHBondContact OD1-N 3.43Å; D214-S223 PolarHBondContact OD2-N 3.47Å; S223-G225 VanDerWaalsContact C-N 3.34Å; S223-T226 PolarHBondContact O-OG1 2.97Å; S223-T226 VanDerWaalsContact O-OG1 3.06Å
224C91.5Very high91.6Very high20 Ų2064.4 Ų64.414%0.13535%0.352CS..G310 helixtrans-72.8-31.2174.3153.20000111.5D214 C217 V221 K222 T226 N232D214-C224 PolarHBondContact OD1-N 3.13Å; C217-C224 HydrophobicContact CB-CB 3.86Å; C217-C224 WeakPolarHBondContact CB-SG 3.3Å; C217-C224 WeakPolarHBondContact SG-CB 3.26Å; C217-C224 CovalentContact SG-SG 2.04Å; C217-C224 PolarHBondContact SG-SG 2.93Å; V221-C224 HydrophobicContact CB-CB 4.13Å; V221-C224 VanDerWaalsContact O-CB 3.27Å; V221-C224 WeakPolarHBondContact O-CB 3.31Å; V221-C224 PolarHBondContact O-N 3.25Å; K222-C224 PolarHBondContact O-N 3.36Å; C224-T226 PolarHBondContact O-N 3.33Å; C224-N232 PolarHBondContact O-ND2 3.46Å
225G90.7Very high91.5Very high0 Ų064.9 Ų64.90%035%0.354CS..G310 helixtrans-72.9-4.7-178.300000115.2V211 V212 D214 C217 S223 L227V211-G225 WeakPolarHBondContact CA-O 3.42Å; V211-G225 WeakPolarHBondContact CG1-O 3.36Å; V212-G225 PolarHBondContact N-O 3.48Å; V212-G225 VanDerWaalsContact N-O 3.08Å; V212-G225 CarbonylContact O-C 3.56Å; V212-G225 VanDerWaalsContact O-CA 3.32Å; V212-G225 WeakPolarHBondContact O-CA 3.41Å; D214-G225 PolarHBondContact OD1-N 3.03Å; C217-G225 PolarHBondContact SG-N 2.81Å; S223-G225 VanDerWaalsContact C-N 3.34Å; G225-L227 VanDerWaalsContact C-N 3.28Å; G225-L227 PolarHBondContact O-N 3.07Å
226T88.8Confident91.4Very high32 Ų3270 Ų7020%0.19638%0.376CS..G310 helixtrans-72.1-20.8-178.564.20000113.8I202 V211 S223 C224I202-T226 HydrophobicContact CG2-CG2 3.7Å; V211-T226 WeakPolarHBondContact CG2-O 3.45Å; S223-T226 PolarHBondContact O-OG1 2.97Å; S223-T226 VanDerWaalsContact O-OG1 3.06Å; C224-T226 PolarHBondContact O-N 3.33Å
227L87.9Confident91.4Very high111 Ų11170.1 Ų70.158%0.58138%0.378SS*.SBendtrans-13882.3174.5-17166.4000108.7G225 H229 N232G225-L227 VanDerWaalsContact C-N 3.28Å; G225-L227 PolarHBondContact O-N 3.07Å; L227-H229 PolarHBondContact O-N 2.86Å; L227-N232 PolarHBondContact O-ND2 3.44Å
228P88.2Confident91.3Very high32 Ų3270.2 Ų70.221%0.20838%0.379CS..  trans-65.5122.8-178.326.1-32.6000110.2Y185 L210 V212 V233Y185-P228 HydrophobicContact CD2-CB 4.43Å; L210-P228 HydrophobicContact CB-CG 4.24Å; L210-P228 HydrophobicContact CD2-CG 4.45Å; L210-P228 HydrophobicContact CG-CG 4.26Å; L210-P228 WeakPolarHBondContact O-CD 3.33Å; L210-P228 WeakPolarHBondContact O-CG 3.36Å; V212-P228 HydrophobicContact CG2-CB 4.33Å; P228-V233 HydrophobicContact CB-CG2 4.12Å
229H89Confident91.3Very high105 Ų10567.7 Ų67.749%0.48636%0.363SS..  trans-130.5148.2177.8-171.9-93.9000109L227 S231 N232 V233L227-H229 PolarHBondContact O-N 2.86Å; H229-S231 PolarHBondContact CE1-OG 2.62Å; H229-S231 VanDerWaalsContact CE1-OG 3.27Å; H229-S231 WeakPolarHBondContact ND1-CB 3.31Å; H229-S231 PolarHBondContact ND1-N 2.94Å; H229-S231 PolarHBondContact ND1-OG 2.88Å; H229-S231 VanDerWaalsContact ND1-OG 3.09Å; H229-S231 PolarHBondContact O-N 2.74Å; H229-N232 VanDerWaalsContact CA-OD1 3.28Å; H229-N232 WeakPolarHBondContact CA-OD1 3.07Å; H229-N232 VanDerWaalsContact CB-OD1 3.32Å; H229-N232 WeakPolarHBondContact CB-OD1 3.5Å; H229-N232 PolarHBondContact N-OD1 2.79Å; H229-N232 PolarHBondContact O-N 3.4Å; H229-N232 PolarHBondContact O-OD1 3.04Å; H229-V233 PolarHBondContact O-N 2.82Å; H229-V233 VanDerWaalsContact O-N 3.13Å
230P88.5Confident91.3Very high82 Ų8262.7 Ų62.753%0.53235%0.348SS..THydrogen-bonded Turntrans-56.1-13.3178.4-2936.2000115.9N235P230-N235 WeakPolarHBondContact CA-OD1 3Å; P230-N235 PolarHBondContact O-ND2 2.83Å
231S91.2Very high91.5Very high95 Ų9557.8 Ų57.866%0.66431%0.314SS*.THydrogen-bonded Turntrans-99.8-16.8-179.3-45.30000114.7H229H229-S231 PolarHBondContact CE1-OG 2.62Å; H229-S231 VanDerWaalsContact CE1-OG 3.27Å; H229-S231 WeakPolarHBondContact ND1-CB 3.31Å; H229-S231 PolarHBondContact ND1-N 2.94Å; H229-S231 PolarHBondContact ND1-OG 2.88Å; H229-S231 VanDerWaalsContact ND1-OG 3.09Å; H229-S231 PolarHBondContact O-N 2.74Å
232N93.1Very high91.6Very high47 Ų4754.4 Ų54.425%0.25129%0.293SS..THydrogen-bonded Turntrans-113.9-21.9-17968.7-16.6000113.1C217 V218 C224 L227 H229C217-N232 CarbonylContact C-O 3.58Å; C217-N232 VanDerWaalsContact CA-O 3.3Å; C217-N232 WeakPolarHBondContact CA-O 3.26Å; V218-N232 PolarHBondContact N-O 2.68Å; C224-N232 PolarHBondContact O-ND2 3.46Å; L227-N232 PolarHBondContact O-ND2 3.44Å; H229-N232 VanDerWaalsContact CA-OD1 3.28Å; H229-N232 WeakPolarHBondContact CA-OD1 3.07Å; H229-N232 VanDerWaalsContact CB-OD1 3.32Å; H229-N232 WeakPolarHBondContact CB-OD1 3.5Å; H229-N232 PolarHBondContact N-OD1 2.79Å; H229-N232 PolarHBondContact O-N 3.4Å; H229-N232 PolarHBondContact O-OD1 3.04Å
233V94.7Very high91.6Very high3 Ų348.5 Ų48.52%0.01827%0.269CS..BIsolated β-bridgetrans-117145.6-178.21670000110.7C180 V212 C216 P228 H229 N235C180-V233 HydrophobicContact CB-CG1 4.2Å; V212-V233 HydrophobicContact CG2-CG1 4.2Å; V212-V233 HydrophobicContact CG2-CG2 3.84Å; C216-V233 HydrophobicContact CB-CG1 4.01Å; C216-V233 WeakPolarHBondContact O-CA 3.35Å; P228-V233 HydrophobicContact CB-CG2 4.12Å; H229-V233 PolarHBondContact O-N 2.82Å; H229-V233 VanDerWaalsContact O-N 3.13Å; V233-N235 PolarHBondContact O-N 3.38Å
234Y95.5Very high91.8Very high32 Ų3249.8 Ų49.813%0.12527%0.27CS..  trans-64.2124.7172.2-61.5-58.9000110.8K178 C180 C216 C217 V218K178-Y234 HydrophobicContact CB-CD1 3.9Å; K178-Y234 HydrophobicContact CB-CE1 3.56Å; K178-Y234 HydrophobicContact CB-CE2 4.35Å; K178-Y234 HydrophobicContact CB-CG 4.45Å; K178-Y234 HydrophobicContact CD-CE1 4.48Å; K178-Y234 HydrophobicContact CG-CE1 4.02Å; K178-Y234 WeakPolarHBondContact O-CB 3.39Å; K178-Y234 VanDerWaalsContact O-CD1 3.29Å; K178-Y234 WeakPolarHBondContact O-CD1 3.39Å; K178-Y234 VanDerWaalsContact O-CG 3.3Å; C180-Y234 WeakPolarHBondContact CB-O 3.08Å; C216-Y234 WeakPolarHBondContact O-CD2 3.15Å; C216-Y234 PolarHBondContact O-N 3.36Å; C217-Y234 WeakPolarHBondContact O-CE2 3.41Å; V218-Y234 HydrophobicContact CB-CE1 4.22Å; V218-Y234 HydrophobicContact CG1-CE1 4.38Å; V218-Y234 HydrophobicContact CG2-CD1 3.85Å; V218-Y234 HydrophobicContact CG2-CE1 3.81Å; V218-Y234 HydrophobicContact CG2-CG 4.48Å
235N91.5Very high91.6Very high72 Ų7252.8 Ų52.839%0.38529%0.285SS..  trans-83-26.5-179.5-64.8-48.7000112.9P230 V233P230-N235 WeakPolarHBondContact CA-OD1 3Å; P230-N235 PolarHBondContact O-ND2 2.83Å; V233-N235 PolarHBondContact O-N 3.38Å
236E93.8Very high91.4Very high118 Ų11856.3 Ų56.355%0.55130%0.304SS*.SBendtrans-74.7139.2-176.1-58.9-57.7153.500111.7C179 C180C179-E236 CarbonylContact C-O 3.1Å; C179-E236 VanDerWaalsContact CA-O 3.26Å; C179-E236 WeakPolarHBondContact CA-O 3.3Å; C179-E236 WeakPolarHBondContact CB-O 3.39Å; C180-E236 PolarHBondContact N-O 2.97Å
237G95.4Very high91.2Very high4 Ų463.3 Ų63.34%0.04133%0.327CS..  trans-68.6147.2170.600000111.8S182 R183 M239 S241S182-G237 CarbonylContact O-C 3.51Å; S182-G237 WeakPolarHBondContact O-CA 3.47Å; R183-G237 WeakPolarHBondContact O-CA 3.47Å; G237-M239 VanDerWaalsContact C-N 3.32Å; G237-M239 PolarHBondContact O-N 3.5Å; G237-S241 WeakPolarHBondContact O-CB 3.26Å; G237-S241 PolarHBondContact O-N 3.3Å; G237-S241 VanDerWaalsContact O-N 3.16Å; G237-S241 PolarHBondContact O-OG 3.17Å
238C95Very high90.7Very high1 Ų165.9 Ų65.91%0.00734%0.335CS..Hα-helixtrans-67.4-31.3179.8-69.30000113.4L151 I173 C179 G181 S182 S241 I242L151-C238 HydrophobicContact CD2-CB 4.05Å; I173-C238 HydrophobicContact CG2-CB 4.05Å; C179-C238 VanDerWaalsContact CB-CA 3.45Å; C179-C238 HydrophobicContact CB-CB 3.85Å; C179-C238 WeakPolarHBondContact CB-SG 3.37Å; C179-C238 WeakPolarHBondContact SG-CA 3.44Å; C179-C238 WeakPolarHBondContact SG-CB 3.34Å; C179-C238 CovalentContact SG-SG 2.04Å; C179-C238 PolarHBondContact SG-SG 2.98Å; G181-C238 WeakPolarHBondContact O-CB 3.29Å; G181-C238 PolarHBondContact O-N 3.39Å; G181-C238 PolarHBondContact O-SG 3.28Å; S182-C238 PolarHBondContact O-N 3.44Å; C238-S241 PolarHBondContact O-N 2.85Å; C238-I242 HydrophobicContact CB-CD1 4.38Å; C238-I242 VanDerWaalsContact O-CB 3.25Å; C238-I242 WeakPolarHBondContact O-CB 2.97Å; C238-I242 VanDerWaalsContact O-CD1 3.31Å; C238-I242 WeakPolarHBondContact O-CD1 3.32Å; C238-I242 WeakPolarHBondContact O-CG1 3.41Å; C238-I242 PolarHBondContact O-N 3.15Å
239M93.7Very high90.5Very high15 Ų1569.4 Ų69.47%0.07435%0.349CS..Hα-helixtrans-63.9-48.2-179.4-166.564.2-148.300111.5T144 L147 A148 S182 G237 I242 L243T144-M239 HydrophobicContact CG2-CE 4.32Å; L147-M239 HydrophobicContact CB-CE 3.83Å; L147-M239 HydrophobicContact CB-SD 3.74Å; L147-M239 HydrophobicContact CD1-CE 3.84Å; L147-M239 HydrophobicContact CG-CE 4.5Å; A148-M239 HydrophobicContact CB-CB 4.15Å; A148-M239 HydrophobicContact CB-CG 3.99Å; S182-M239 PolarHBondContact O-N 3.28Å; G237-M239 VanDerWaalsContact C-N 3.32Å; G237-M239 PolarHBondContact O-N 3.5Å; M239-I242 PolarHBondContact O-N 2.65Å; M239-L243 HydrophobicContact CE-CD1 3.94Å; M239-L243 HydrophobicContact CE-CD2 3.9Å; M239-L243 HydrophobicContact CE-CG 3.84Å; M239-L243 HydrophobicContact CG-CD1 4.32Å; M239-L243 VanDerWaalsContact O-CG 3.26Å; M239-L243 WeakPolarHBondContact O-CG 3.36Å; M239-L243 PolarHBondContact O-N 3.02Å
240E92.8Very high90.3Very high95 Ų9570.4 Ų70.444%0.44435%0.35SS..Hα-helixtrans-65.5-44.4177.5-173.359.2-15600111.4I242 L243 L244E240-I242 VanDerWaalsContact C-N 3.31Å; E240-I242 PolarHBondContact O-N 2.89Å; E240-L243 PolarHBondContact O-N 2.85Å; E240-L243 VanDerWaalsContact O-N 3.13Å; E240-L244 HydrophobicContact CG-CD1 4.08Å; E240-L244 HydrophobicContact CG-CG 4.37Å; E240-L244 WeakPolarHBondContact O-CG 3.05Å; E240-L244 PolarHBondContact O-N 2.85Å
241S93.2Very high90.3Very high18 Ų1874.5 Ų74.513%0.12636%0.356CS..Hα-helixtrans-60.6-40178.8-57.20000112.3G237 C238 N245G237-S241 WeakPolarHBondContact O-CB 3.26Å; G237-S241 PolarHBondContact O-N 3.3Å; G237-S241 VanDerWaalsContact O-N 3.16Å; G237-S241 PolarHBondContact O-OG 3.17Å; C238-S241 PolarHBondContact O-N 2.85Å; S241-N245 WeakPolarHBondContact O-CB 3.26Å; S241-N245 PolarHBondContact O-N 2.87Å
242I91.6Very high90.2Very high14 Ų1475.2 Ų75.27%0.07235%0.351CS..Hα-helixtrans-64.1-47.1174.2-71.6164.6000110.2L77 I173 F177 C238 M239 E240 L244 N245 L246L77-I242 HydrophobicContact CD2-CD1 4.24Å; I173-I242 HydrophobicContact CG2-CD1 4Å; F177-I242 HydrophobicContact CB-CG1 4.36Å; F177-I242 HydrophobicContact CD1-CG1 3.93Å; F177-I242 HydrophobicContact CD2-CD1 4.3Å; F177-I242 HydrophobicContact CD2-CG1 3.64Å; F177-I242 HydrophobicContact CE1-CG1 4.07Å; F177-I242 HydrophobicContact CE2-CD1 4.4Å; F177-I242 HydrophobicContact CE2-CG1 3.81Å; F177-I242 HydrophobicContact CG-CG1 3.71Å; F177-I242 HydrophobicContact CZ-CG1 4.02Å; C238-I242 HydrophobicContact CB-CD1 4.38Å; C238-I242 VanDerWaalsContact O-CB 3.25Å; C238-I242 WeakPolarHBondContact O-CB 2.97Å; C238-I242 VanDerWaalsContact O-CD1 3.31Å; C238-I242 WeakPolarHBondContact O-CD1 3.32Å; C238-I242 WeakPolarHBondContact O-CG1 3.41Å; C238-I242 PolarHBondContact O-N 3.15Å; M239-I242 PolarHBondContact O-N 2.65Å; E240-I242 VanDerWaalsContact C-N 3.31Å; E240-I242 PolarHBondContact O-N 2.89Å; I242-L244 PolarHBondContact O-N 2.74Å; I242-N245 PolarHBondContact O-N 2.74Å; I242-L246 HydrophobicContact CG2-CD1 3.64Å; I242-L246 HydrophobicContact CG2-CG 4.1Å; I242-L246 WeakPolarHBondContact O-CB 3.24Å; I242-L246 VanDerWaalsContact O-CG 3.24Å; I242-L246 WeakPolarHBondContact O-CG 3.46Å; I242-L246 PolarHBondContact O-N 2.9Å
243L90.3Very high90Very high58 Ų5877.7 Ų77.730%0.30436%0.363SS..Hα-helixtrans-62.9-41.7-179.7-69.9169000112.5T144 M239 E240 L246 R247T144-L243 HydrophobicContact CG2-CD1 3.56Å; T144-L243 HydrophobicContact CG2-CD2 3.88Å; T144-L243 HydrophobicContact CG2-CG 4.36Å; M239-L243 HydrophobicContact CE-CD1 3.94Å; M239-L243 HydrophobicContact CE-CD2 3.9Å; M239-L243 HydrophobicContact CE-CG 3.84Å; M239-L243 HydrophobicContact CG-CD1 4.32Å; M239-L243 VanDerWaalsContact O-CG 3.26Å; M239-L243 WeakPolarHBondContact O-CG 3.36Å; M239-L243 PolarHBondContact O-N 3.02Å; E240-L243 PolarHBondContact O-N 2.85Å; E240-L243 VanDerWaalsContact O-N 3.13Å; L243-L246 PolarHBondContact O-N 3.49Å; L243-R247 PolarHBondContact O-N 3.04Å
244L90.4Very high89.8Confident91 Ų9179.8 Ų79.848%0.47638%0.377SS..Hα-helixtrans-62.8-43.8175.9-70.4174.4000111.3E240 I242 R247E240-L244 HydrophobicContact CG-CD1 4.08Å; E240-L244 HydrophobicContact CG-CG 4.37Å; E240-L244 WeakPolarHBondContact O-CG 3.05Å; E240-L244 PolarHBondContact O-N 2.85Å; I242-L244 PolarHBondContact O-N 2.74Å; L244-R247 WeakPolarHBondContact O-CB 3.29Å; L244-R247 PolarHBondContact O-N 3.19Å
245N87.4Confident89.7Confident84 Ų8481.8 Ų81.845%0.44939%0.393SS..Hα-helixtrans-71.5-31.5178.3-165.882000112.6F177 S241 I242 R247F177-N245 HydrophobicContact CD1-CB 3.95Å; F177-N245 HydrophobicContact CE1-CB 3.95Å; S241-N245 WeakPolarHBondContact O-CB 3.26Å; S241-N245 PolarHBondContact O-N 2.87Å; I242-N245 PolarHBondContact O-N 2.74Å; N245-R247 VanDerWaalsContact C-N 3.32Å
246L87.5Confident89.7Confident73 Ų7382.1 Ų82.138%0.38240%0.397SS..Hα-helixtrans-73.5-22.8174.6-74.8177.8000112.7I242 L243 E248 Q249 Y250I242-L246 HydrophobicContact CG2-CD1 3.64Å; I242-L246 HydrophobicContact CG2-CG 4.1Å; I242-L246 WeakPolarHBondContact O-CB 3.24Å; I242-L246 VanDerWaalsContact O-CG 3.24Å; I242-L246 WeakPolarHBondContact O-CG 3.46Å; I242-L246 PolarHBondContact O-N 2.9Å; L243-L246 PolarHBondContact O-N 3.49Å; L246-E248 VanDerWaalsContact C-N 3.25Å; L246-E248 PolarHBondContact O-N 3.35Å; L246-Q249 CarbonylContact O-C 3.37Å; L246-Q249 PolarHBondContact O-N 2.04Å; L246-Y250 VanDerWaalsContact O-CB 3.3Å; L246-Y250 WeakPolarHBondContact O-CB 3.3Å; L246-Y250 PolarHBondContact O-N 3.02Å
247R85Confident89.6Confident180 Ų18080 Ų8068%0.67939%0.392SS*.Hα-helixtrans-54.4-39.7-177.5-174.9177-72.2-151.60.1113L243 L244 N245L243-R247 PolarHBondContact O-N 3.04Å; L244-R247 WeakPolarHBondContact O-CB 3.29Å; L244-R247 PolarHBondContact O-N 3.19Å; N245-R247 VanDerWaalsContact C-N 3.32Å
248E77.5Confident89.5Confident164 Ų16485.7 Ų85.777%0.76642%0.421SS*.Hα-helixtrans-69.8-40.5177-66.2-170.1165.600112.2L246 Y250L246-E248 VanDerWaalsContact C-N 3.25Å; L246-E248 PolarHBondContact O-N 3.35Å; E248-Y250 VanDerWaalsContact C-N 3.33Å
249Q83.1Confident89.4Confident107 Ų10788.1 Ų88.150%0.544%0.441SS..Hα-helixtrans-71.7-30.8178.6-62-175.7-1200112L246 Y251 I252 I253L246-Q249 CarbonylContact O-C 3.37Å; L246-Q249 PolarHBondContact O-N 2.04Å; Q249-Y251 VanDerWaalsContact C-N 3.3Å; Q249-Y251 PolarHBondContact O-N 3.44Å; Q249-I252 PolarHBondContact O-N 2.86Å; Q249-I253 WeakPolarHBondContact O-CG1 3.23Å; Q249-I253 PolarHBondContact O-N 2.88Å
250Y85.9Confident89.3Confident126 Ų12689.7 Ų89.749%0.49445%0.45SS..Hα-helixtrans-62.4-35.5179.3-178.4-101.7000112.3L246 E248 I252 I253 C254L246-Y250 VanDerWaalsContact O-CB 3.3Å; L246-Y250 WeakPolarHBondContact O-CB 3.3Å; L246-Y250 PolarHBondContact O-N 3.02Å; E248-Y250 VanDerWaalsContact C-N 3.33Å; Y250-I252 VanDerWaalsContact C-N 3.34Å; Y250-I252 PolarHBondContact O-N 3.44Å; Y250-I253 PolarHBondContact O-N 3.16Å; Y250-C254 WeakPolarHBondContact CE1-SG 3.46Å; Y250-C254 PolarHBondContact O-N 3.26Å; Y250-C254 PolarHBondContact O-SG 3.05Å
251Y87.2Confident89.4Confident168 Ų16887.3 Ų87.366%0.65944%0.441SS*.Hα-helixtrans-59-45.4175.3179.2-99.7000111.7Q249 I253 C254 V255Q249-Y251 VanDerWaalsContact C-N 3.3Å; Q249-Y251 PolarHBondContact O-N 3.44Å; Y251-I253 PolarHBondContact O-N 3.13Å; Y251-C254 PolarHBondContact O-N 2.61Å; Y251-V255 HydrophobicContact CD1-CG2 4.39Å; Y251-V255 HydrophobicContact CE1-CG2 3.96Å; Y251-V255 HydrophobicContact CE2-CG2 4.37Å; Y251-V255 WeakPolarHBondContact O-CG2 3.17Å; Y251-V255 PolarHBondContact O-N 3.42Å; Y251-V255 VanDerWaalsContact O-N 3.07Å
252I89.3Confident89.3Confident110 Ų11092.5 Ų92.556%0.56446%0.462SS*.Hα-helixtrans-62.7-44.6178.3-60.6174000110.4Q249 Y250 C254 V255 V256Q249-I252 PolarHBondContact O-N 2.86Å; Y250-I252 VanDerWaalsContact C-N 3.34Å; Y250-I252 PolarHBondContact O-N 3.44Å; I252-C254 VanDerWaalsContact C-N 3.33Å; I252-C254 PolarHBondContact O-N 2.85Å; I252-V255 PolarHBondContact O-N 2.9Å; I252-V256 HydrophobicContact CG2-CG2 4.44Å; I252-V256 WeakPolarHBondContact O-CG2 3.46Å; I252-V256 PolarHBondContact O-N 2.78Å
253I89.4Confident89.4Confident98 Ų9893.3 Ų93.350%0.50347%0.467SS..Hα-helixtrans-59.1-45.7177.8-64.5169.1000110.5Q249 Y250 Y251 V255 V256 V257Q249-I253 WeakPolarHBondContact O-CG1 3.23Å; Q249-I253 PolarHBondContact O-N 2.88Å; Y250-I253 PolarHBondContact O-N 3.16Å; Y251-I253 PolarHBondContact O-N 3.13Å; I253-V255 PolarHBondContact O-N 2.92Å; I253-V256 PolarHBondContact O-N 3.37Å; I253-V257 HydrophobicContact CG2-CG2 4.24Å; I253-V257 WeakPolarHBondContact O-CB 3.38Å; I253-V257 VanDerWaalsContact O-CG2 3.3Å; I253-V257 WeakPolarHBondContact O-CG2 3.37Å; I253-V257 PolarHBondContact O-N 2.03Å
254C90.8Very high89.5Confident48 Ų4891.2 Ų91.232%0.32446%0.456SS..Hα-helixtrans-60.1-44.2178.4-70.50000112.5Y250 Y251 I252 V257 L258Y250-C254 WeakPolarHBondContact CE1-SG 3.46Å; Y250-C254 PolarHBondContact O-N 3.26Å; Y250-C254 PolarHBondContact O-SG 3.05Å; Y251-C254 PolarHBondContact O-N 2.61Å; I252-C254 VanDerWaalsContact C-N 3.33Å; I252-C254 PolarHBondContact O-N 2.85Å; C254-V257 PolarHBondContact O-N 2.91Å; C254-L258 VanDerWaalsContact O-CB 3.32Å; C254-L258 WeakPolarHBondContact O-CB 3.23Å; C254-L258 PolarHBondContact O-N 3.12Å
255V92.4Very high89.7Confident73 Ų7391.8 Ų91.844%0.44246%0.455SS..Hα-helixtrans-62.3-44.81781720000110.9Y251 I252 I253 L258 A259Y251-V255 HydrophobicContact CD1-CG2 4.39Å; Y251-V255 HydrophobicContact CE1-CG2 3.96Å; Y251-V255 HydrophobicContact CE2-CG2 4.37Å; Y251-V255 WeakPolarHBondContact O-CG2 3.17Å; Y251-V255 PolarHBondContact O-N 3.42Å; Y251-V255 VanDerWaalsContact O-N 3.07Å; I252-V255 PolarHBondContact O-N 2.9Å; I253-V255 PolarHBondContact O-N 2.92Å; V255-L258 PolarHBondContact O-N 3.32Å; V255-A259 WeakPolarHBondContact O-CB 3.3Å; V255-A259 PolarHBondContact O-N 2.73Å
256V91.9Very high90Very high79 Ų7991.5 Ų91.548%0.47945%0.45SS..Hα-helixtrans-63-47.5178172.50000111I252 I253 L258 A259 L260I252-V256 HydrophobicContact CG2-CG2 4.44Å; I252-V256 WeakPolarHBondContact O-CG2 3.46Å; I252-V256 PolarHBondContact O-N 2.78Å; I253-V256 PolarHBondContact O-N 3.37Å; V256-L258 PolarHBondContact O-N 3.04Å; V256-A259 PolarHBondContact O-N 2.77Å; V256-L260 HydrophobicContact CG1-CD1 4.23Å; V256-L260 WeakPolarHBondContact O-CG 3.29Å; V256-L260 PolarHBondContact O-N 3.09Å
257V92.1Very high90.2Very high73 Ų7388.3 Ų88.344%0.44244%0.435SS..Hα-helixtrans-61.6-44178.9171.30000111.1I253 C254 A259 L260 V261I253-V257 HydrophobicContact CG2-CG2 4.24Å; I253-V257 WeakPolarHBondContact O-CB 3.38Å; I253-V257 VanDerWaalsContact O-CG2 3.3Å; I253-V257 WeakPolarHBondContact O-CG2 3.37Å; I253-V257 PolarHBondContact O-N 2.03Å; C254-V257 PolarHBondContact O-N 2.91Å; V257-A259 VanDerWaalsContact C-N 3.34Å; V257-A259 PolarHBondContact O-N 3.19Å; V257-L260 PolarHBondContact O-N 2.98Å; V257-V261 WeakPolarHBondContact O-CG2 3.45Å; V257-V261 PolarHBondContact O-N 3.16Å
258L93.1Very high90.7Very high124 Ų12480.7 Ų80.765%0.64941%0.408SS*.Hα-helixtrans-63.5-39.5177.9-175.663.8000112.2C254 V255 V256 V261 F262C254-L258 VanDerWaalsContact O-CB 3.32Å; C254-L258 WeakPolarHBondContact O-CB 3.23Å; C254-L258 PolarHBondContact O-N 3.12Å; V255-L258 PolarHBondContact O-N 3.32Å; V256-L258 PolarHBondContact O-N 3.04Å; L258-V261 PolarHBondContact O-N 3.23Å; L258-F262 PolarHBondContact O-N 3.42Å
259A92.7Very high91.5Very high53 Ų5376.2 Ų76.244%0.43839%0.389SS..Hα-helixtrans-63.6-40.9175.100000111.9V255 V256 V257 F262 V263V255-A259 WeakPolarHBondContact O-CB 3.3Å; V255-A259 PolarHBondContact O-N 2.73Å; V256-A259 PolarHBondContact O-N 2.77Å; V257-A259 VanDerWaalsContact C-N 3.34Å; V257-A259 PolarHBondContact O-N 3.19Å; A259-F262 PolarHBondContact O-N 2.94Å; A259-V263 WeakPolarHBondContact O-CB 3.38Å; A259-V263 VanDerWaalsContact O-CG2 3.27Å; A259-V263 WeakPolarHBondContact O-CG2 3.44Å; A259-V263 PolarHBondContact O-N 3.42Å
260L92.1Very high91.9Very high48 Ų4872.1 Ų72.125%0.25137%0.37SS..Hα-helixtrans-62.7-47.1175.5-70173.3000111.7I55 V256 V257 F262 V263 E264I55-L260 HydrophobicContact CD1-CD2 3.88Å; V256-L260 HydrophobicContact CG1-CD1 4.23Å; V256-L260 WeakPolarHBondContact O-CG 3.29Å; V256-L260 PolarHBondContact O-N 3.09Å; V257-L260 PolarHBondContact O-N 2.98Å; L260-F262 VanDerWaalsContact C-N 3.31Å; L260-F262 PolarHBondContact O-N 3.23Å; L260-V263 PolarHBondContact O-N 2.94Å; L260-E264 WeakPolarHBondContact O-CB 3.32Å; L260-E264 WeakPolarHBondContact O-CG 2.98Å; L260-E264 PolarHBondContact O-N 3.36Å
261V93.5Very high92.1Very high44 Ų4466.1 Ų66.127%0.26735%0.346SS..Hα-helixtrans-55.5-46.4175.8167.50000111.2L126 Q129 V257 L258 E264 F265L126-V261 HydrophobicContact CD1-CB 4.36Å; L126-V261 HydrophobicContact CD1-CG1 3.79Å; Q129-V261 HydrophobicContact CB-CG2 4.43Å; Q129-V261 VanDerWaalsContact OE1-CG2 3.24Å; V257-V261 WeakPolarHBondContact O-CG2 3.45Å; V257-V261 PolarHBondContact O-N 3.16Å; L258-V261 PolarHBondContact O-N 3.23Å; V261-E264 PolarHBondContact O-N 2.96Å; V261-F265 WeakPolarHBondContact O-CB 2.91Å; V261-F265 PolarHBondContact O-N 3.5Å
262F93.1Very high92.3Very high128 Ų12860 Ų6056%0.56133%0.328SS*.Hα-helixtrans-62.2-50.7178.1-175.2-93.3000111L258 A259 L260 E264 F265 F266L258-F262 PolarHBondContact O-N 3.42Å; A259-F262 PolarHBondContact O-N 2.94Å; L260-F262 VanDerWaalsContact C-N 3.31Å; L260-F262 PolarHBondContact O-N 3.23Å; F262-E264 VanDerWaalsContact C-N 3.34Å; F262-E264 PolarHBondContact O-N 2.7Å; F262-F265 WeakPolarHBondContact O-CB 3.27Å; F262-F265 PolarHBondContact O-N 2.99Å; F262-F266 AromaticContact CD1-CD2 3.78Å; F262-F266 HydrophobicContact CD1-CD2 3.78Å; F262-F266 AromaticContact CD1-CE2 3.92Å; F262-F266 HydrophobicContact CD1-CE2 3.92Å; F262-F266 HydrophobicContact CD2-CD2 4.34Å; F262-F266 AromaticContact CD2-CE2 3.88Å; F262-F266 HydrophobicContact CD2-CE2 3.88Å; F262-F266 AromaticContact CE1-CD2 3.55Å; F262-F266 HydrophobicContact CE1-CD2 3.55Å; F262-F266 AromaticContact CE1-CE2 3.38Å; F262-F266 HydrophobicContact CE1-CE2 3.38Å; F262-F266 HydrophobicContact CE1-CZ 4.25Å; F262-F266 HydrophobicContact CE2-CD2 4.17Å; F262-F266 AromaticContact CE2-CE2 3.35Å; F262-F266 HydrophobicContact CE2-CE2 3.35Å; F262-F266 HydrophobicContact CE2-CZ 4.18Å; F262-F266 HydrophobicContact CG-CD2 4.18Å; F262-F266 HydrophobicContact CG-CE2 4.16Å; F262-F266 AromaticContact CZ-CD2 3.79Å; F262-F266 HydrophobicContact CZ-CD2 3.79Å; F262-F266 AromaticContact CZ-CE2 3.07Å; F262-F266 HydrophobicContact CZ-CE2 3.07Å; F262-F266 AromaticContact CZ-CZ 3.75Å; F262-F266 HydrophobicContact CZ-CZ 3.75Å; F262-F266 VanDerWaalsContact O-CD2 3.29Å; F262-F266 WeakPolarHBondContact O-CD2 3.32Å; F262-F266 PolarHBondContact O-N 3.08Å
263V91.8Very high92.3Very high30 Ų3058.3 Ų58.318%0.18233%0.325CS..Hα-helixtrans-58.7-44.1178.8163.50000112.1F48 A259 L260 F266 G267F48-V263 HydrophobicContact CB-CG1 4.26Å; F48-V263 HydrophobicContact CD1-CB 4.25Å; F48-V263 HydrophobicContact CD1-CG1 3.13Å; F48-V263 HydrophobicContact CD1-CG2 4.08Å; F48-V263 HydrophobicContact CE1-CB 4.18Å; F48-V263 HydrophobicContact CE1-CG1 3.51Å; F48-V263 HydrophobicContact CE1-CG2 3.52Å; F48-V263 HydrophobicContact CG-CG1 3.8Å; F48-V263 HydrophobicContact CZ-CG1 4.49Å; F48-V263 HydrophobicContact CZ-CG2 4.25Å; A259-V263 WeakPolarHBondContact O-CB 3.38Å; A259-V263 VanDerWaalsContact O-CG2 3.27Å; A259-V263 WeakPolarHBondContact O-CG2 3.44Å; A259-V263 PolarHBondContact O-N 3.42Å; L260-V263 PolarHBondContact O-N 2.94Å; V263-F266 PolarHBondContact O-N 3.3Å; V263-G267 PolarHBondContact O-N 3.07Å
264E93.9Very high92.2Very high14 Ų1454.6 Ų54.67%0.06531%0.305CS..Hα-helixtrans-62.2-44.7177.5-76.3178.2-176.100111.4L126 Q129 L260 V261 F262 F266 G267 V268L126-E264 HydrophobicContact CD1-CB 4.32Å; Q129-E264 PolarHBondContact NE2-OE1 3.48Å; Q129-E264 PolarHBondContact NE2-OE2 3.18Å; Q129-E264 PolarHBondContact OE1-OE2 3.48Å; L260-E264 WeakPolarHBondContact O-CB 3.32Å; L260-E264 WeakPolarHBondContact O-CG 2.98Å; L260-E264 PolarHBondContact O-N 3.36Å; V261-E264 PolarHBondContact O-N 2.96Å; F262-E264 VanDerWaalsContact C-N 3.34Å; F262-E264 PolarHBondContact O-N 2.7Å; E264-F266 PolarHBondContact O-N 3.2Å; E264-G267 CarbonylContact O-C 3.57Å; E264-G267 WeakPolarHBondContact O-CA 3.21Å; E264-G267 PolarHBondContact O-N 3.47Å; E264-G267 VanDerWaalsContact O-N 3.11Å; E264-V268 WeakPolarHBondContact O-CG2 3.38Å; E264-V268 PolarHBondContact O-N 3.4Å
265F94.6Very high92Very high104 Ų10453 Ų5346%0.45629%0.294SS..Hα-helixtrans-57.7-47.5176.4178.6-102.4000112L126 V261 F262 G267 V268 I269L126-F265 HydrophobicContact CD2-CB 4.44Å; L126-F265 HydrophobicContact CD2-CD2 4.23Å; V261-F265 WeakPolarHBondContact O-CB 2.91Å; V261-F265 PolarHBondContact O-N 3.5Å; F262-F265 WeakPolarHBondContact O-CB 3.27Å; F262-F265 PolarHBondContact O-N 2.99Å; F265-G267 VanDerWaalsContact C-N 3.35Å; F265-V268 PolarHBondContact O-N 3.02Å; F265-I269 HydrophobicContact CD1-CD1 3.91Å; F265-I269 HydrophobicContact CE1-CD1 3.4Å; F265-I269 VanDerWaalsContact CE1-CD1 3.4Å; F265-I269 HydrophobicContact CE2-CD1 4.3Å; F265-I269 HydrophobicContact CZ-CD1 3.63Å; F265-I269 WeakPolarHBondContact O-CG1 3.3Å; F265-I269 PolarHBondContact O-N 3.08Å; F265-I269 VanDerWaalsContact O-N 3.16Å
266F92.8Very high91.6Very high78 Ų7857.7 Ų57.734%0.34231%0.309SS..Hα-helixtrans-64.8-38.9173.9-82.3-85.2000112.2F44 F262 V263 E264 V268 I269 L270F44-F266 HydrophobicContact CZ-CB 4.25Å; F262-F266 AromaticContact CD1-CD2 3.78Å; F262-F266 HydrophobicContact CD1-CD2 3.78Å; F262-F266 AromaticContact CD1-CE2 3.92Å; F262-F266 HydrophobicContact CD1-CE2 3.92Å; F262-F266 HydrophobicContact CD2-CD2 4.34Å; F262-F266 AromaticContact CD2-CE2 3.88Å; F262-F266 HydrophobicContact CD2-CE2 3.88Å; F262-F266 AromaticContact CE1-CD2 3.55Å; F262-F266 HydrophobicContact CE1-CD2 3.55Å; F262-F266 AromaticContact CE1-CE2 3.38Å; F262-F266 HydrophobicContact CE1-CE2 3.38Å; F262-F266 HydrophobicContact CE1-CZ 4.25Å; F262-F266 HydrophobicContact CE2-CD2 4.17Å; F262-F266 AromaticContact CE2-CE2 3.35Å; F262-F266 HydrophobicContact CE2-CE2 3.35Å; F262-F266 HydrophobicContact CE2-CZ 4.18Å; F262-F266 HydrophobicContact CG-CD2 4.18Å; F262-F266 HydrophobicContact CG-CE2 4.16Å; F262-F266 AromaticContact CZ-CD2 3.79Å; F262-F266 HydrophobicContact CZ-CD2 3.79Å; F262-F266 AromaticContact CZ-CE2 3.07Å; F262-F266 HydrophobicContact CZ-CE2 3.07Å; F262-F266 AromaticContact CZ-CZ 3.75Å; F262-F266 HydrophobicContact CZ-CZ 3.75Å; F262-F266 VanDerWaalsContact O-CD2 3.29Å; F262-F266 WeakPolarHBondContact O-CD2 3.32Å; F262-F266 PolarHBondContact O-N 3.08Å; V263-F266 PolarHBondContact O-N 3.3Å; E264-F266 PolarHBondContact O-N 3.2Å; F266-V268 VanDerWaalsContact C-N 3.34Å; F266-V268 PolarHBondContact O-N 3.22Å; F266-I269 PolarHBondContact O-N 3.42Å; F266-L270 WeakPolarHBondContact O-CB 3.27Å; F266-L270 VanDerWaalsContact O-CG 3.25Å; F266-L270 WeakPolarHBondContact O-CG 3.44Å; F266-L270 PolarHBondContact O-N 3.06Å
267G92.8Very high91Very high6 Ų655 Ų556%0.06230%0.295CS..Hα-helixtrans-57.7-44.3175.200000112.6V263 E264 F265 A271V263-G267 PolarHBondContact O-N 3.07Å; E264-G267 CarbonylContact O-C 3.57Å; E264-G267 WeakPolarHBondContact O-CA 3.21Å; E264-G267 PolarHBondContact O-N 3.47Å; E264-G267 VanDerWaalsContact O-N 3.11Å; F265-G267 VanDerWaalsContact C-N 3.35Å; G267-A271 WeakPolarHBondContact O-CB 3.4Å; G267-A271 PolarHBondContact O-N 2.04Å
268V94.6Very high89.6Confident20 Ų2056.9 Ų56.912%0.12131%0.308CS..Hα-helixtrans-61.7-49.3175.6172.70000111L122 F123 E264 F265 F266 L270 A271 C272L122-V268 HydrophobicContact CB-CG2 3.58Å; L122-V268 HydrophobicContact CD1-CG2 4.48Å; F123-V268 HydrophobicContact CB-CG2 4.32Å; E264-V268 WeakPolarHBondContact O-CG2 3.38Å; E264-V268 PolarHBondContact O-N 3.4Å; F265-V268 PolarHBondContact O-N 3.02Å; F266-V268 VanDerWaalsContact C-N 3.34Å; F266-V268 PolarHBondContact O-N 3.22Å; V268-L270 PolarHBondContact O-N 3.46Å; V268-A271 PolarHBondContact O-N 3.34Å; V268-C272 WeakPolarHBondContact O-CB 2.93Å; V268-C272 PolarHBondContact O-N 3.32Å; V268-C272 PolarHBondContact O-SG 2.86Å
269I93.7Very high88.1Confident70 Ų7055.6 Ų55.636%0.35930%0.297SS..Hα-helixtrans-59.3-51179.1-67.4170.5000110.2F265 F266 A271 C272 C273F265-I269 HydrophobicContact CD1-CD1 3.91Å; F265-I269 HydrophobicContact CE1-CD1 3.4Å; F265-I269 VanDerWaalsContact CE1-CD1 3.4Å; F265-I269 HydrophobicContact CE2-CD1 4.3Å; F265-I269 HydrophobicContact CZ-CD1 3.63Å; F265-I269 WeakPolarHBondContact O-CG1 3.3Å; F265-I269 PolarHBondContact O-N 3.08Å; F265-I269 VanDerWaalsContact O-N 3.16Å; F266-I269 PolarHBondContact O-N 3.42Å; I269-A271 PolarHBondContact O-N 3.36Å; I269-C272 PolarHBondContact O-N 2.83Å; I269-C273 WeakPolarHBondContact O-CB 3.15Å; I269-C273 PolarHBondContact O-N 2.62Å; I269-C273 PolarHBondContact O-SG 3.38Å
270L92.1Very high86.1Confident20 Ų2061.3 Ų61.311%0.10532%0.317CS..Hα-helixtrans-65.8-39.3-177.2-69.4175000112.1W40 V41 F44 L45 F266 V268 C273 Y274W40-L270 HydrophobicContact CH2-CD2 3.9Å; W40-L270 HydrophobicContact CZ3-CD1 4.35Å; W40-L270 HydrophobicContact CZ3-CD2 4Å; V41-L270 HydrophobicContact CG1-CB 4.28Å; V41-L270 HydrophobicContact CG1-CD2 4.28Å; V41-L270 HydrophobicContact CG2-CD2 4.32Å; F44-L270 HydrophobicContact CD1-CD1 3.31Å; F44-L270 HydrophobicContact CD2-CD1 4.43Å; F44-L270 HydrophobicContact CE1-CD1 3.39Å; F44-L270 HydrophobicContact CE2-CD1 4.45Å; F44-L270 HydrophobicContact CG-CD1 3.9Å; F44-L270 HydrophobicContact CZ-CD1 3.99Å; L45-L270 HydrophobicContact CD2-CB 4Å; L45-L270 HydrophobicContact CG-CB 4.4Å; F266-L270 WeakPolarHBondContact O-CB 3.27Å; F266-L270 VanDerWaalsContact O-CG 3.25Å; F266-L270 WeakPolarHBondContact O-CG 3.44Å; F266-L270 PolarHBondContact O-N 3.06Å; V268-L270 PolarHBondContact O-N 3.46Å; L270-C273 PolarHBondContact O-N 3.4Å; L270-Y274 WeakPolarHBondContact O-CB 3.41Å; L270-Y274 PolarHBondContact O-N 3.22Å
271A91.2Very high84Confident0 Ų066.4 Ų66.40%035%0.345CS..Hα-helixtrans-65-41.7174.300000111.6L45 L115 F118 A119 G267 V268 I269 Y274 S275L45-A271 HydrophobicContact CD2-CB 4.39Å; L115-A271 HydrophobicContact CD1-CB 3.91Å; L115-A271 WeakPolarHBondContact CD2-O 3.32Å; L115-A271 HydrophobicContact CG-CB 4.1Å; L115-A271 WeakPolarHBondContact CG-O 3.45Å; F118-A271 HydrophobicContact CD1-CB 4.41Å; A119-A271 HydrophobicContact CB-CB 3.89Å; G267-A271 WeakPolarHBondContact O-CB 3.4Å; G267-A271 PolarHBondContact O-N 2.04Å; V268-A271 PolarHBondContact O-N 3.34Å; I269-A271 PolarHBondContact O-N 3.36Å; A271-Y274 PolarHBondContact O-N 2.74Å; A271-S275 WeakPolarHBondContact O-CB 3.49Å; A271-S275 PolarHBondContact O-N 3.26Å
272C91.3Very high81.4Confident40 Ų4078.8 Ų78.827%0.2739%0.387SS..Hα-helixtrans-63.1-45.7175-70.60000111.7V268 I269 S275 K276V268-C272 WeakPolarHBondContact O-CB 2.93Å; V268-C272 PolarHBondContact O-N 3.32Å; V268-C272 PolarHBondContact O-SG 2.86Å; I269-C272 PolarHBondContact O-N 2.83Å; C272-S275 PolarHBondContact O-N 2.92Å; C272-S275 PolarHBondContact O-OG 3.13Å; C272-K276 PolarHBondContact O-N 2.7Å
273C88.7Confident80.8Confident75 Ų7576.3 Ų76.351%0.50738%0.378SS..Hα-helixtrans-62.3-45.8176.3-69.40000111.7I269 L270 S275 K276 A277I269-C273 WeakPolarHBondContact O-CB 3.15Å; I269-C273 PolarHBondContact O-N 2.62Å; I269-C273 PolarHBondContact O-SG 3.38Å; L270-C273 PolarHBondContact O-N 3.4Å; C273-S275 PolarHBondContact O-N 3.26Å; C273-K276 PolarHBondContact O-N 3.05Å; C273-A277 PolarHBondContact O-N 3.25Å
274Y86.9Confident80.2Confident19 Ų1978.7 Ų78.78%0.07539%0.388CS..Hα-helixtrans-64.3-29.7177.7-173.2-108.4000111.5T37 V41 L45 L115 L270 A271 K276T37-Y274 HydrophobicContact CG2-CD2 3.5Å; T37-Y274 VanDerWaalsContact CG2-CD2 3.5Å; T37-Y274 HydrophobicContact CG2-CE2 3.89Å; T37-Y274 VanDerWaalsContact OG1-CE2 3.3Å; T37-Y274 WeakPolarHBondContact OG1-CE2 3.28Å; V41-Y274 HydrophobicContact CG1-CD2 4.36Å; L45-Y274 HydrophobicContact CD1-CD1 4.32Å; L45-Y274 HydrophobicContact CD1-CG 4.34Å; L115-Y274 HydrophobicContact CD1-CD1 4.02Å; L115-Y274 HydrophobicContact CD2-CD1 3.24Å; L115-Y274 HydrophobicContact CD2-CE1 4.15Å; L115-Y274 HydrophobicContact CD2-CG 3.93Å; L115-Y274 HydrophobicContact CG-CD1 4.25Å; L270-Y274 WeakPolarHBondContact O-CB 3.41Å; L270-Y274 PolarHBondContact O-N 3.22Å; A271-Y274 PolarHBondContact O-N 2.74Å; Y274-K276 PolarHBondContact O-N 2.83Å
275S86.3Confident79.4Confident15 Ų1582.3 Ų82.311%0.10541%0.406CS..Hα-helixtrans-71-29.117779.60000114.1S112 L115 A271 C272 C273S112-S275 WeakPolarHBondContact CB-O 3.32Å; S112-S275 PolarHBondContact OG-O 2.95Å; L115-S275 VanDerWaalsContact CD2-CA 3.48Å; A271-S275 WeakPolarHBondContact O-CB 3.49Å; A271-S275 PolarHBondContact O-N 3.26Å; C272-S275 PolarHBondContact O-N 2.92Å; C272-S275 PolarHBondContact O-OG 3.13Å; C273-S275 PolarHBondContact O-N 3.26Å
276K84.5Confident78.5Confident172 Ų17281.1 Ų81.175%0.74840%0.403SS*.Hα-helixtrans-95.1-8.4-177-68.4-178.3-179.9179.50113.2C272 C273 Y274C272-K276 PolarHBondContact O-N 2.7Å; C273-K276 PolarHBondContact O-N 3.05Å; Y274-K276 PolarHBondContact O-N 2.83Å
277A78.3Confident77.6Confident23 Ų2381.3 Ų81.319%0.1941%0.407CS..SBendtrans-59131177.100000109.6T37 C273 K279T37-A277 HydrophobicContact CG2-CB 3.48Å; T37-A277 VanDerWaalsContact CG2-CB 3.48Å; C273-A277 PolarHBondContact O-N 3.25Å; A277-K279 PolarHBondContact O-N 3.08Å; A277-K279 VanDerWaalsContact O-N 3.07Å
278P64.5Low76.6Confident111 Ų11186.3 Ų86.372%0.72143%0.43SS*.PPolyproline II helixtrans-59.9117.9-18023.2-31.1000108.6
279K61.4Low75.3Confident97 Ų9791 Ų9142%0.42245%0.452SS..PPolyproline II helixtrans-85.9117.7167-62.1179.4-159.4162.60105G110 S112 A277 D281G110-K279 WeakPolarHBondContact O-CE 3.45Å; G110-K279 PolarHBondContact O-NZ 3.29Å; S112-K279 WeakPolarHBondContact OG-CE 3.39Å; S112-K279 PolarHBondContact OG-NZ 3.27Å; A277-K279 PolarHBondContact O-N 3.08Å; A277-K279 VanDerWaalsContact O-N 3.07Å; K279-D281 PolarHBondContact O-N 3.09Å
280M50.2Low73.9Confident173 Ų17392.6 Ų92.685%0.85246%0.459SS*.  trans-63.8107.6166-68176.559.800105.4
281D47.9Very low72.4Confident155 Ų15598.7 Ų98.783%0.82949%0.489SS*.  trans-61.3142.2-177.2-73.7-39.2000110K279K279-D281 PolarHBondContact O-N 3.09Å
282R38Very low70.7Confident304 Ų304107.6 Ų107.6100%1.14753%0.533SS*.  trans-64.30-173.8-151.7-171-67.6165.6-6.1113

Retrieved 282 of 282 residues in 469.5 ms (Link to these results)