A0A077ZEC9_TRITR Loading...

HCO3 cotransp domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZEC9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 351 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
1M36.6Very low62Low207 Ų207114.7 Ų114.7100%1.0259%0.585SS**  0-29.60-78.6-175.5-97.800112.1N3 S4M1-N3 PolarHBondContact O-N 3.48Å; M1-S4 PolarHBondContact O-OG 2.86Å
2E49.1Very low63.4Low148 Ų148116.7 Ų116.769%0.69260%0.596SS**Hα-helixtrans-65.4-30.3178.7-75171.9155.600115.9S4 W5E2-S4 VanDerWaalsContact C-N 3.32Å; E2-S4 PolarHBondContact O-N 3.14Å; E2-W5 HydrophobicContact CG-CZ3 4.43Å
3N55.3Low64.3Low101 Ų101122.1 Ų122.154%0.5462%0.618SS.*Hα-helixtrans-72-19-175.6-59.5-9.3000114.6M1 N7M1-N3 PolarHBondContact O-N 3.48Å; N3-N7 PolarHBondContact O-N 2.88Å
4S61.7Low64.8Low62 Ų62115.6 Ų115.643%0.43460%0.597SS.*Hα-helixtrans-68.5-41-177.859.70000111.3M1 E2 A6 N7 E8M1-S4 PolarHBondContact O-OG 2.86Å; E2-S4 VanDerWaalsContact C-N 3.32Å; E2-S4 PolarHBondContact O-N 3.14Å; S4-A6 VanDerWaalsContact C-N 3.34Å; S4-A6 PolarHBondContact O-N 3.19Å; S4-N7 PolarHBondContact O-N 3.44Å; S4-E8 WeakPolarHBondContact O-CB 3.43Å; S4-E8 PolarHBondContact O-N 2.98Å
5W61.1Low65.2Low173 Ų173116.3 Ų116.366%0.65561%0.608SS**Hα-helixtrans-69.3-31.1-179.6-59.9-60.5000113.3E2 C9E2-W5 HydrophobicContact CG-CZ3 4.43Å; W5-C9 VanDerWaalsContact O-CB 3.26Å; W5-C9 WeakPolarHBondContact O-CB 3.46Å; W5-C9 PolarHBondContact O-N 3.5Å
6A61.2Low65.3Low48 Ų48112.2 Ų112.240%0.39760%0.596SS.*Hα-helixtrans-71.3-47176.600000111.4S4 E8 C9 E10S4-A6 VanDerWaalsContact C-N 3.34Å; S4-A6 PolarHBondContact O-N 3.19Å; A6-E8 VanDerWaalsContact C-N 3.34Å; A6-E8 PolarHBondContact O-N 3.5Å; A6-C9 WeakPolarHBondContact O-CB 3.32Å; A6-C9 PolarHBondContact O-N 2.93Å; A6-E10 PolarHBondContact O-N 3.35Å
7N66.1Low65.1Low94 Ų94112.8 Ų112.850%0.50361%0.605SS.*Hα-helixtrans-63.3-41.4176.3-66.5-1.9000111.3N3 S4 C9 E10 D11N3-N7 PolarHBondContact O-N 2.88Å; S4-N7 PolarHBondContact O-N 3.44Å; N7-C9 VanDerWaalsContact C-N 3.26Å; N7-C9 PolarHBondContact O-N 3.24Å; N7-E10 PolarHBondContact O-N 3.38Å; N7-D11 WeakPolarHBondContact O-CB 3.29Å; N7-D11 PolarHBondContact O-N 2.91Å
8E73.2Confident65.5Low115 Ų115109.3 Ų109.354%0.53760%0.601SS.*Hα-helixtrans-67.8-27.2177.7-166.5156.2-163.500112.3S4 A6 L12S4-E8 WeakPolarHBondContact O-CB 3.43Å; S4-E8 PolarHBondContact O-N 2.98Å; A6-E8 VanDerWaalsContact C-N 3.34Å; A6-E8 PolarHBondContact O-N 3.5Å; E8-L12 HydrophobicContact CG-CD1 4.47Å; E8-L12 WeakPolarHBondContact O-CB 3.27Å; E8-L12 WeakPolarHBondContact O-CD1 3.41Å; E8-L12 VanDerWaalsContact O-CG 3.25Å; E8-L12 WeakPolarHBondContact O-CG 3.27Å; E8-L12 PolarHBondContact O-N 3.02Å
9C70.9Confident65.5Low46 Ų46112.4 Ų112.431%0.31162%0.615SS.*Hα-helixtrans-73.3-41171.7-170.90000112.2W5 A6 N7 L12 G14W5-C9 VanDerWaalsContact O-CB 3.26Å; W5-C9 WeakPolarHBondContact O-CB 3.46Å; W5-C9 PolarHBondContact O-N 3.5Å; A6-C9 WeakPolarHBondContact O-CB 3.32Å; A6-C9 PolarHBondContact O-N 2.93Å; N7-C9 VanDerWaalsContact C-N 3.26Å; N7-C9 PolarHBondContact O-N 3.24Å; C9-L12 PolarHBondContact O-N 3.32Å; C9-G14 WeakPolarHBondContact O-CA 3.34Å; C9-G14 PolarHBondContact O-N 3.39Å
10E69.5Low65.4Low128 Ų128114.5 Ų114.560%0.59862%0.621SS**Hα-helixtrans-66-40.8173.6-75.3-174.7171.200112.1A6 N7 L12 E13A6-E10 PolarHBondContact O-N 3.35Å; N7-E10 PolarHBondContact O-N 3.38Å; E10-L12 PolarHBondContact O-N 2.86Å; E10-E13 PolarHBondContact O-N 3.47Å; E10-E13 VanDerWaalsContact O-N 3.11Å
11D77.7Confident65.3Low140 Ų140112 Ų11275%0.74961%0.611SS**Hα-helixtrans-63.1-24.1175.7-76-21.4000112.5N7N7-D11 WeakPolarHBondContact O-CB 3.29Å; N7-D11 PolarHBondContact O-N 2.91Å
12L78.7Confident66.5Low138 Ų138109.5 Ų109.572%0.72360%0.596SS**THydrogen-bonded Turntrans-97.417.5177.2-69.5169.9000113.3E8 C9 E10 G14E8-L12 HydrophobicContact CG-CD1 4.47Å; E8-L12 WeakPolarHBondContact O-CB 3.27Å; E8-L12 WeakPolarHBondContact O-CD1 3.41Å; E8-L12 VanDerWaalsContact O-CG 3.25Å; E8-L12 WeakPolarHBondContact O-CG 3.27Å; E8-L12 PolarHBondContact O-N 3.02Å; C9-L12 PolarHBondContact O-N 3.32Å; E10-L12 PolarHBondContact O-N 2.86Å; L12-G14 PolarHBondContact O-N 3.45Å; L12-G14 VanDerWaalsContact O-N 3.09Å
13E75.1Confident67.2Low187 Ų187109.1 Ų109.187%0.87459%0.593SS**THydrogen-bonded Turntrans5523.4-176.9-63.8-177.416300114E10E10-E13 PolarHBondContact O-N 3.47Å; E10-E13 VanDerWaalsContact O-N 3.11Å
14G70.7Confident67.8Low32 Ų32108 Ų10833%0.3358%0.583SS.*  trans-78132178.500000112C9 L12C9-G14 WeakPolarHBondContact O-CA 3.34Å; C9-G14 PolarHBondContact O-N 3.39Å; L12-G14 PolarHBondContact O-N 3.45Å; L12-G14 VanDerWaalsContact O-N 3.09Å
15V71.2Confident68.2Low126 Ų126108.1 Ų108.176%0.76458%0.582SS**  trans-90.6107.1170.8-177.30000108.8T17V15-T17 HydrophobicContact CG1-CG2 3.99Å; V15-T17 PolarHBondContact O-N 2.79Å; V15-T17 VanDerWaalsContact O-N 3.14Å
16A66.2Low69.2Low50 Ų50104.3 Ų104.341%0.41358%0.575SS.*  trans-71.6105.8174.900000110.3C21A16-C21 HydrophobicContact CB-CB 3.71Å
17T63.2Low70.4Confident122 Ų122103.1 Ų103.175%0.74856%0.563SS**  trans-102.2115.5179.7580000111.6V15V15-T17 HydrophobicContact CG1-CG2 3.99Å; V15-T17 PolarHBondContact O-N 2.79Å; V15-T17 VanDerWaalsContact O-N 3.14Å
18G70.7Confident71.3Confident51 Ų51106.2 Ų106.253%0.52657%0.572SS.*SBendtrans156.5152.1173.900000112.4Q20 C21G18-Q20 PolarHBondContact O-N 2.96Å; G18-Q20 VanDerWaalsContact O-N 3.15Å; G18-C21 PolarHBondContact O-N 2.84Å
19L65.8Low72Confident167 Ų167103.9 Ų103.987%0.87457%0.568SS**THydrogen-bonded Turntrans-59.3-24.2178-76.2153.8000113
20Q64.4Low72.9Confident155 Ų155102.6 Ų102.672%0.72456%0.557SS**THydrogen-bonded Turntrans-87.3-19.4-177.9-114.183.3-3100114.5G18 H22 F23G18-Q20 PolarHBondContact O-N 2.96Å; G18-Q20 VanDerWaalsContact O-N 3.15Å; Q20-H22 PolarHBondContact O-N 2.65Å; Q20-F23 WeakPolarHBondContact O-CB 3.29Å; Q20-F23 PolarHBondContact O-N 2.84Å; Q20-F23 VanDerWaalsContact O-N 3.16Å
21C62.6Low73.9Confident61 Ų6199.1 Ų99.141%0.41255%0.547SS..THydrogen-bonded Turntrans-66.7-32.5-168.2-68.30000114.1A16 G18A16-C21 HydrophobicContact CB-CB 3.71Å; G18-C21 PolarHBondContact O-N 2.84Å
22H61.1Low74.6Confident155 Ų15596.1 Ų96.172%0.71853%0.531SS*.THydrogen-bonded Turntrans-109.314.1173.9-73.6-77.6000112.7Q20 K24Q20-H22 PolarHBondContact O-N 2.65Å; H22-K24 PolarHBondContact O-N 3.03Å
23F64.2Low75.3Confident141 Ų14194.3 Ų94.362%0.61852%0.521SS*.  trans-76.497.9-176.8-172.1-100.3000110.2Q20 P25Q20-F23 WeakPolarHBondContact O-CB 3.29Å; Q20-F23 PolarHBondContact O-N 2.84Å; Q20-F23 VanDerWaalsContact O-N 3.16Å; F23-P25 HydrophobicContact CD1-CB 4.46Å; F23-P25 HydrophobicContact CE1-CB 3.88Å; F23-P25 VanDerWaalsContact O-CD 3.3Å; F23-P25 WeakPolarHBondContact O-CD 3.47Å
24K69.3Low76.1Confident77 Ų7786.6 Ų86.634%0.33549%0.486SS..  trans-96.499.7172.9-163.1166.6179.9152.10109.6H22 D26 V27 P84H22-K24 PolarHBondContact O-N 3.03Å; K24-D26 VanDerWaalsContact C-N 3.26Å; K24-D26 PolarHBondContact O-N 3.2Å; K24-V27 HydrophobicContact CB-CB 4.49Å; K24-V27 HydrophobicContact CB-CG2 3.75Å; K24-V27 HydrophobicContact CD-CG2 3.6Å; K24-V27 HydrophobicContact CG-CG2 3.65Å; K24-V27 PolarHBondContact O-N 2.81Å; K24-P84 HydrophobicContact CD-CG 3.71Å; K24-P84 VanDerWaalsContact NZ-CD 3.3Å
25P70.4Confident77.1Confident64 Ų6491 Ų9142%0.41650%0.496SS..Hα-helixtrans-60.4-33.9-16922-33000113.3F23 V27F23-P25 HydrophobicContact CD1-CB 4.46Å; F23-P25 HydrophobicContact CE1-CB 3.88Å; F23-P25 VanDerWaalsContact O-CD 3.3Å; F23-P25 WeakPolarHBondContact O-CD 3.47Å; P25-V27 VanDerWaalsContact C-N 3.32Å; P25-V27 PolarHBondContact O-N 3.41Å
26D81.9Confident78.3Confident94 Ų9490 Ų9050%0.50348%0.482SS..Hα-helixtrans-76.4-17-174.9-57-31.4000113.9K24 S29 F30K24-D26 VanDerWaalsContact C-N 3.26Å; K24-D26 PolarHBondContact O-N 3.2Å; D26-S29 PolarHBondContact O-OG 3.27Å; D26-S29 VanDerWaalsContact O-OG 3.13Å; D26-F30 VanDerWaalsContact O-CB 3.26Å; D26-F30 WeakPolarHBondContact O-CB 3.4Å; D26-F30 PolarHBondContact O-N 3.43Å; D26-F30 VanDerWaalsContact O-N 3.13Å
27V85Confident79.7Confident23 Ų2388.8 Ų88.814%0.13947%0.474CS..Hα-helixtrans-71.4-40.1-176.5175.40000111K24 P25 S31 I85K24-V27 HydrophobicContact CB-CB 4.49Å; K24-V27 HydrophobicContact CB-CG2 3.75Å; K24-V27 HydrophobicContact CD-CG2 3.6Å; K24-V27 HydrophobicContact CG-CG2 3.65Å; K24-V27 PolarHBondContact O-N 2.81Å; P25-V27 VanDerWaalsContact C-N 3.32Å; P25-V27 PolarHBondContact O-N 3.41Å; V27-S31 WeakPolarHBondContact O-CB 3.41Å; V27-S31 PolarHBondContact O-N 3.11Å; V27-I85 HydrophobicContact CG1-CG1 4.29Å
28F86.1Confident81.2Confident159 Ų15984.7 Ų84.770%0.69745%0.451SS*.Hα-helixtrans-67.5-49-178.8177.9-102.2000111.8F30 S31 L32F28-F30 VanDerWaalsContact C-N 3.31Å; F28-F30 PolarHBondContact O-N 2.73Å; F28-S31 PolarHBondContact O-N 3.31Å; F28-L32 PolarHBondContact O-N 3.1Å
29S87.8Confident82.4Confident66 Ų6684.6 Ų84.646%0.46244%0.442SS..Hα-helixtrans-62.3-39.4178.858.60000111.5D26 L32 L33D26-S29 PolarHBondContact O-OG 3.27Å; D26-S29 VanDerWaalsContact O-OG 3.13Å; S29-L32 WeakPolarHBondContact O-CB 3.48Å; S29-L32 PolarHBondContact O-N 3.17Å; S29-L33 PolarHBondContact O-N 3.36Å
30F90.4Very high83.9Confident18 Ų1882.2 Ų82.28%0.07943%0.429CS..Hα-helixtrans-70-38.3176.2-171.5-123.9000112.8D26 F28 L32 L33 L34 V77 V81 L83 I85D26-F30 VanDerWaalsContact O-CB 3.26Å; D26-F30 WeakPolarHBondContact O-CB 3.4Å; D26-F30 PolarHBondContact O-N 3.43Å; D26-F30 VanDerWaalsContact O-N 3.13Å; F28-F30 VanDerWaalsContact C-N 3.31Å; F28-F30 PolarHBondContact O-N 2.73Å; F30-L32 VanDerWaalsContact C-N 3.27Å; F30-L32 PolarHBondContact O-N 3.25Å; F30-L33 HydrophobicContact CD2-CD2 4.28Å; F30-L33 HydrophobicContact CE2-CD2 4.15Å; F30-L33 CarbonylContact O-C 3.59Å; F30-L33 WeakPolarHBondContact O-CB 3.36Å; F30-L33 PolarHBondContact O-N 2.81Å; F30-L34 HydrophobicContact CD1-CD1 4.16Å; F30-L34 HydrophobicContact CD1-CG 4.4Å; F30-L34 HydrophobicContact CE1-CD1 3.8Å; F30-L34 HydrophobicContact CE1-CD2 4.31Å; F30-L34 HydrophobicContact CE1-CG 4.08Å; F30-L34 HydrophobicContact CE2-CD2 4.21Å; F30-L34 HydrophobicContact CE2-CG 4.32Å; F30-L34 HydrophobicContact CZ-CD1 4.18Å; F30-L34 HydrophobicContact CZ-CD2 3.84Å; F30-L34 HydrophobicContact CZ-CG 4.02Å; F30-L34 WeakPolarHBondContact O-CG 3.23Å; F30-L34 PolarHBondContact O-N 3.1Å; F30-V77 HydrophobicContact CE2-CG1 4.39Å; F30-V77 HydrophobicContact CZ-CG1 4.26Å; F30-V81 HydrophobicContact CD1-CG1 4.31Å; F30-V81 HydrophobicContact CD2-CG1 4.26Å; F30-V81 HydrophobicContact CE1-CB 4.01Å; F30-V81 HydrophobicContact CE1-CG1 3.87Å; F30-V81 HydrophobicContact CE2-CB 4.02Å; F30-V81 HydrophobicContact CE2-CG1 3.82Å; F30-V81 HydrophobicContact CE2-CG2 3.9Å; F30-V81 HydrophobicContact CZ-CB 3.52Å; F30-V81 HydrophobicContact CZ-CG1 3.62Å; F30-V81 HydrophobicContact CZ-CG2 3.77Å; F30-L83 HydrophobicContact CB-CD1 3.64Å; F30-L83 HydrophobicContact CD1-CB 4.04Å; F30-L83 HydrophobicContact CD1-CD1 3.54Å; F30-L83 HydrophobicContact CD1-CG 4.34Å; F30-L83 HydrophobicContact CD2-CD1 4.35Å; F30-L83 HydrophobicContact CE1-CB 4.43Å; F30-L83 HydrophobicContact CE1-CD1 4.28Å; F30-L83 HydrophobicContact CG-CD1 3.6Å; F30-I85 HydrophobicContact CD1-CD1 3.18Å; F30-I85 HydrophobicContact CD1-CG1 3.99Å; F30-I85 HydrophobicContact CE1-CD1 3.39Å; F30-I85 HydrophobicContact CE1-CG1 4.49Å; F30-I85 HydrophobicContact CG-CD1 4.38Å
31S89.9Confident85.4Confident56 Ų5676.7 Ų76.739%0.39241%0.405SS..Hα-helixtrans-60.8-37.8172-174.10000111.9V27 F28 L34 F35V27-S31 WeakPolarHBondContact O-CB 3.41Å; V27-S31 PolarHBondContact O-N 3.11Å; F28-S31 PolarHBondContact O-N 3.31Å; S31-L34 PolarHBondContact O-N 2.82Å; S31-F35 WeakPolarHBondContact O-CB 3.44Å; S31-F35 PolarHBondContact O-N 3.31Å
32L91.9Very high86.9Confident76 Ų7675 Ų7540%0.39840%0.395SS..Hα-helixtrans-66.1-41.2175.2-166.768.5000111.3F28 S29 F30 F35 F36F28-L32 PolarHBondContact O-N 3.1Å; S29-L32 WeakPolarHBondContact O-CB 3.48Å; S29-L32 PolarHBondContact O-N 3.17Å; F30-L32 VanDerWaalsContact C-N 3.27Å; F30-L32 PolarHBondContact O-N 3.25Å; L32-F35 PolarHBondContact O-N 3.49Å; L32-F36 HydrophobicContact CD1-CD2 3.87Å; L32-F36 HydrophobicContact CD1-CE2 3.34Å; L32-F36 HydrophobicContact CD1-CZ 4.22Å; L32-F36 HydrophobicContact CD2-CD2 4.47Å; L32-F36 HydrophobicContact CD2-CE2 4.09Å; L32-F36 HydrophobicContact CG-CD2 3.68Å; L32-F36 HydrophobicContact CG-CE2 3.54Å; L32-F36 VanDerWaalsContact O-CD2 3.31Å; L32-F36 WeakPolarHBondContact O-CD2 3.5Å; L32-F36 PolarHBondContact O-N 3.02Å
33L92.5Very high88.5Confident100 Ų10072.5 Ų72.552%0.52439%0.386SS..Hα-helixtrans-64.1-41.5174.3-173.7150.5000111.5S29 F30 G37S29-L33 PolarHBondContact O-N 3.36Å; F30-L33 HydrophobicContact CD2-CD2 4.28Å; F30-L33 HydrophobicContact CE2-CD2 4.15Å; F30-L33 CarbonylContact O-C 3.59Å; F30-L33 WeakPolarHBondContact O-CB 3.36Å; F30-L33 PolarHBondContact O-N 2.81Å; L33-G37 VanDerWaalsContact O-CA 3.24Å; L33-G37 WeakPolarHBondContact O-CA 3.42Å; L33-G37 PolarHBondContact O-N 3Å
34L92.3Very high90Very high25 Ų2572.3 Ų72.313%0.13139%0.385CS..Hα-helixtrans-65-40.3175.1-70-179.8000111.4F30 S31 S38 M74 V77 N78 I85F30-L34 HydrophobicContact CD1-CD1 4.16Å; F30-L34 HydrophobicContact CD1-CG 4.4Å; F30-L34 HydrophobicContact CE1-CD1 3.8Å; F30-L34 HydrophobicContact CE1-CD2 4.31Å; F30-L34 HydrophobicContact CE1-CG 4.08Å; F30-L34 HydrophobicContact CE2-CD2 4.21Å; F30-L34 HydrophobicContact CE2-CG 4.32Å; F30-L34 HydrophobicContact CZ-CD1 4.18Å; F30-L34 HydrophobicContact CZ-CD2 3.84Å; F30-L34 HydrophobicContact CZ-CG 4.02Å; F30-L34 WeakPolarHBondContact O-CG 3.23Å; F30-L34 PolarHBondContact O-N 3.1Å; S31-L34 PolarHBondContact O-N 2.82Å; L34-S38 WeakPolarHBondContact O-CB 3.39Å; L34-S38 PolarHBondContact O-N 3.31Å; L34-S38 PolarHBondContact O-OG 2.9Å; L34-M74 HydrophobicContact CB-CE 4.21Å; L34-M74 HydrophobicContact CD2-CE 3.53Å; L34-M74 HydrophobicContact CG-CE 4.45Å; L34-M74 WeakPolarHBondContact O-CE 3.49Å; L34-V77 HydrophobicContact CD2-CG1 4.26Å; L34-N78 HydrophobicContact CD1-CB 4.09Å; L34-N78 HydrophobicContact CD2-CB 4.4Å; L34-I85 HydrophobicContact CD1-CD1 3.46Å; L34-I85 VanDerWaalsContact CD1-CD1 3.46Å
35F93.2Very high91.1Very high124 Ų12469.6 Ų69.654%0.54437%0.374SS..Hα-helixtrans-64.1-55.3177.3175-96.9000112.4S31 L32 S38 S39S31-F35 WeakPolarHBondContact O-CB 3.44Å; S31-F35 PolarHBondContact O-N 3.31Å; L32-F35 PolarHBondContact O-N 3.49Å; F35-S38 PolarHBondContact O-N 3.4Å; F35-S39 WeakPolarHBondContact O-CB 3.01Å; F35-S39 PolarHBondContact O-N 3.49Å; F35-S39 PolarHBondContact O-OG 3.35Å
36F95.9Very high92.2Very high106 Ų10669.8 Ų69.847%0.46537%0.372SS..Hα-helixtrans-70.3-37.4179.9-72.7-58.9000112L32 S39 L40L32-F36 HydrophobicContact CD1-CD2 3.87Å; L32-F36 HydrophobicContact CD1-CE2 3.34Å; L32-F36 HydrophobicContact CD1-CZ 4.22Å; L32-F36 HydrophobicContact CD2-CD2 4.47Å; L32-F36 HydrophobicContact CD2-CE2 4.09Å; L32-F36 HydrophobicContact CG-CD2 3.68Å; L32-F36 HydrophobicContact CG-CE2 3.54Å; L32-F36 VanDerWaalsContact O-CD2 3.31Å; L32-F36 WeakPolarHBondContact O-CD2 3.5Å; L32-F36 PolarHBondContact O-N 3.02Å; F36-S39 PolarHBondContact O-N 2.83Å; F36-L40 VanDerWaalsContact O-CB 3.27Å; F36-L40 WeakPolarHBondContact O-CB 3.25Å; F36-L40 VanDerWaalsContact O-CG 3.23Å; F36-L40 WeakPolarHBondContact O-CG 3.43Å; F36-L40 PolarHBondContact O-N 3.16Å
37G95.4Very high92.7Very high24 Ų2469.9 Ų69.925%0.24737%0.372CS..Hα-helixtrans-59.8-45.9174.800000111.6L33 L41L33-G37 VanDerWaalsContact O-CA 3.24Å; L33-G37 WeakPolarHBondContact O-CA 3.42Å; L33-G37 PolarHBondContact O-N 3Å; G37-L41 WeakPolarHBondContact O-CB 3.25Å; G37-L41 PolarHBondContact O-N 3Å
38S94.6Very high92.9Very high37 Ų3769.6 Ų69.626%0.25937%0.371SS..Hα-helixtrans-62.2-46.9175.8-58.40000111.1L34 F35 L41 A42 T70 M74L34-S38 WeakPolarHBondContact O-CB 3.39Å; L34-S38 PolarHBondContact O-N 3.31Å; L34-S38 PolarHBondContact O-OG 2.9Å; F35-S38 PolarHBondContact O-N 3.4Å; S38-L41 PolarHBondContact O-N 2.94Å; S38-A42 WeakPolarHBondContact O-CB 3.44Å; S38-A42 PolarHBondContact O-N 2.98Å; S38-T70 VanDerWaalsContact O-CG2 3.23Å; S38-T70 WeakPolarHBondContact O-CG2 3.36Å; S38-M74 VanDerWaalsContact OG-CG 3.29Å; S38-M74 WeakPolarHBondContact OG-CG 3.45Å
39S95.9Very high93Very high48 Ų4867.2 Ų67.234%0.33636%0.357SS..Hα-helixtrans-63.6-48.3-178.5-57.90000112F35 F36 A42 L43F35-S39 WeakPolarHBondContact O-CB 3.01Å; F35-S39 PolarHBondContact O-N 3.49Å; F35-S39 PolarHBondContact O-OG 3.35Å; F36-S39 PolarHBondContact O-N 2.83Å; S39-A42 PolarHBondContact O-N 2.92Å; S39-L43 WeakPolarHBondContact O-CB 3.17Å; S39-L43 VanDerWaalsContact O-CG 3.27Å; S39-L43 WeakPolarHBondContact O-CG 3.46Å; S39-L43 PolarHBondContact O-N 3.31Å
40L96.7Very high93Very high117 Ų11768.6 Ų68.661%0.61337%0.367SS*.Hα-helixtrans-64.4-41.5178.4-71.7172.7000111.6F36 L43 F44F36-L40 VanDerWaalsContact O-CB 3.27Å; F36-L40 WeakPolarHBondContact O-CB 3.25Å; F36-L40 VanDerWaalsContact O-CG 3.23Å; F36-L40 WeakPolarHBondContact O-CG 3.43Å; F36-L40 PolarHBondContact O-N 3.16Å; L40-L43 PolarHBondContact O-N 3.37Å; L40-F44 VanDerWaalsContact O-CB 3.26Å; L40-F44 WeakPolarHBondContact O-CB 3.49Å; L40-F44 PolarHBondContact O-N 2.9Å
41L96.4Very high93Very high40 Ų4070 Ų7021%0.20938%0.377CS..Hα-helixtrans-66.1-43.8178.3-17760.3000111.6G37 S38 F44 L45 T70 I73 M74G37-L41 WeakPolarHBondContact O-CB 3.25Å; G37-L41 PolarHBondContact O-N 3Å; S38-L41 PolarHBondContact O-N 2.94Å; L41-F44 PolarHBondContact O-N 3.21Å; L41-L45 HydrophobicContact CD1-CD1 4.31Å; L41-L45 HydrophobicContact CD1-CG 4.21Å; L41-L45 HydrophobicContact CG-CD1 4.24Å; L41-L45 WeakPolarHBondContact O-CB 3.39Å; L41-L45 WeakPolarHBondContact O-CG 3.45Å; L41-L45 PolarHBondContact O-N 3.22Å; L41-T70 HydrophobicContact CB-CG2 4.23Å; L41-T70 HydrophobicContact CD2-CG2 4.24Å; L41-T70 HydrophobicContact CG-CG2 4.34Å; L41-I73 HydrophobicContact CD2-CB 3.96Å; L41-I73 HydrophobicContact CD2-CD1 4.08Å; L41-I73 HydrophobicContact CD2-CG2 3.79Å; L41-M74 HydrophobicContact CD2-CG 4.36Å; L41-M74 HydrophobicContact CD2-SD 4.39Å
42A95.4Very high92.8Very high26 Ų2678.9 Ų78.922%0.21540%0.402CS..Hα-helixtrans-61.6-44.7176.300000111.6S38 S39 L45 N46 T70S38-A42 WeakPolarHBondContact O-CB 3.44Å; S38-A42 PolarHBondContact O-N 2.98Å; S39-A42 PolarHBondContact O-N 2.92Å; A42-L45 PolarHBondContact O-N 3.13Å; A42-N46 VanDerWaalsContact O-CB 3.27Å; A42-N46 WeakPolarHBondContact O-CB 3.11Å; A42-N46 PolarHBondContact O-N 3.24Å; A42-T70 WeakPolarHBondContact CA-OG1 3.5Å; A42-T70 HydrophobicContact CB-CG2 4.15Å; A42-T70 PolarHBondContact N-OG1 2.89Å
43L94.6Very high92.4Very high101 Ų10182.7 Ų82.753%0.52942%0.416SS..Hα-helixtrans-63.9-41.8176.1-70.8174.6000111.8S39 L40 N46 N47S39-L43 WeakPolarHBondContact O-CB 3.17Å; S39-L43 VanDerWaalsContact O-CG 3.27Å; S39-L43 WeakPolarHBondContact O-CG 3.46Å; S39-L43 PolarHBondContact O-N 3.31Å; L40-L43 PolarHBondContact O-N 3.37Å; L43-N46 PolarHBondContact O-N 2.93Å; L43-N47 VanDerWaalsContact O-CB 3.23Å; L43-N47 WeakPolarHBondContact O-CB 3.15Å; L43-N47 PolarHBondContact O-N 3.39Å; L43-N47 PolarHBondContact O-ND2 3.42Å
44F94.3Very high92Very high137 Ų13785.5 Ų85.560%0.60142%0.424SS*.Hα-helixtrans-60.9-51176.2176.9-99.6000111.4L40 L41 N46 N47 V48L40-F44 VanDerWaalsContact O-CB 3.26Å; L40-F44 WeakPolarHBondContact O-CB 3.49Å; L40-F44 PolarHBondContact O-N 2.9Å; L41-F44 PolarHBondContact O-N 3.21Å; F44-N46 PolarHBondContact O-N 2.88Å; F44-N47 PolarHBondContact O-N 3.06Å; F44-V48 PolarHBondContact O-N 2.92Å; F44-V48 VanDerWaalsContact O-N 3.09Å
45L93Very high91.7Very high20 Ų2088.4 Ų88.411%0.10544%0.443CS..Hα-helixtrans-63.9-38.4178.9-68.1179000112.3L41 A42 V48 I62 I69L41-L45 HydrophobicContact CD1-CD1 4.31Å; L41-L45 HydrophobicContact CD1-CG 4.21Å; L41-L45 HydrophobicContact CG-CD1 4.24Å; L41-L45 WeakPolarHBondContact O-CB 3.39Å; L41-L45 WeakPolarHBondContact O-CG 3.45Å; L41-L45 PolarHBondContact O-N 3.22Å; A42-L45 PolarHBondContact O-N 3.13Å; L45-V48 VanDerWaalsContact O-CB 3.26Å; L45-V48 WeakPolarHBondContact O-CB 3.47Å; L45-V48 PolarHBondContact O-N 3.26Å; L45-I62 HydrophobicContact CB-CG2 4.46Å; L45-I62 HydrophobicContact CD2-CG2 3.86Å; L45-I69 HydrophobicContact CD1-CB 3.96Å; L45-I69 HydrophobicContact CD1-CG2 3.67Å
46N92.5Very high91.4Very high69 Ų6987.8 Ų87.837%0.36944%0.444SS..Hα-helixtrans-68.1-37.8175-171.134.2000111.7A42 L43 F44 V48 R49A42-N46 VanDerWaalsContact O-CB 3.27Å; A42-N46 WeakPolarHBondContact O-CB 3.11Å; A42-N46 PolarHBondContact O-N 3.24Å; L43-N46 PolarHBondContact O-N 2.93Å; F44-N46 PolarHBondContact O-N 2.88Å; N46-V48 PolarHBondContact O-N 3.07Å; N46-R49 VanDerWaalsContact O-CB 3.28Å; N46-R49 WeakPolarHBondContact O-CB 3.3Å; N46-R49 PolarHBondContact O-N 3.17Å; N46-R49 VanDerWaalsContact O-N 3.16Å
47N92.5Very high90.9Very high95 Ų9592.8 Ų92.851%0.50846%0.46SS..Hα-helixtrans-66.7-20.6175.1-78.6-23.2000113L43 F44 R49 S50L43-N47 VanDerWaalsContact O-CB 3.23Å; L43-N47 WeakPolarHBondContact O-CB 3.15Å; L43-N47 PolarHBondContact O-N 3.39Å; L43-N47 PolarHBondContact O-ND2 3.42Å; F44-N47 PolarHBondContact O-N 3.06Å; N47-R49 PolarHBondContact O-N 2.9Å; N47-R49 VanDerWaalsContact O-N 3.07Å; N47-S50 PolarHBondContact O-N 3.12Å; N47-S50 PolarHBondContact O-OG 3.41Å
48V89.7Confident90.5Very high18 Ų1895.5 Ų95.511%0.10947%0.468CS..G310 helixtrans-51.7-33.4171.3173.90000110.5F44 L45 N46 S50 T51 R59 I62F44-V48 PolarHBondContact O-N 2.92Å; F44-V48 VanDerWaalsContact O-N 3.09Å; L45-V48 VanDerWaalsContact O-CB 3.26Å; L45-V48 WeakPolarHBondContact O-CB 3.47Å; L45-V48 PolarHBondContact O-N 3.26Å; N46-V48 PolarHBondContact O-N 3.07Å; V48-S50 PolarHBondContact O-N 3.04Å; V48-S50 VanDerWaalsContact O-N 3.15Å; V48-T51 PolarHBondContact O-N 3.49Å; V48-T51 PolarHBondContact O-OG1 3.08Å; V48-R59 HydrophobicContact CG1-CG 3.88Å; V48-R59 WeakPolarHBondContact O-CD 3.21Å; V48-R59 WeakPolarHBondContact O-CG 3.48Å; V48-I62 HydrophobicContact CB-CG2 4.37Å; V48-I62 HydrophobicContact CG1-CB 4.47Å; V48-I62 HydrophobicContact CG1-CG2 4.33Å; V48-I62 HydrophobicContact CG2-CG2 4.41Å
49R89.1Confident90.2Very high109 Ų10996.2 Ų96.241%0.41147%0.465SS..G310 helixtrans-52.1-36175.6-167.4176.5-78.6157.9-5.7114.2N46 N47 R59 A63 D64N46-R49 VanDerWaalsContact O-CB 3.28Å; N46-R49 WeakPolarHBondContact O-CB 3.3Å; N46-R49 PolarHBondContact O-N 3.17Å; N46-R49 VanDerWaalsContact O-N 3.16Å; N47-R49 PolarHBondContact O-N 2.9Å; N47-R49 VanDerWaalsContact O-N 3.07Å; R49-R59 VanDerWaalsContact O-CD 3.27Å; R49-R59 WeakPolarHBondContact O-CD 3.48Å; R49-R59 PolarHBondContact O-NE 2.99Å; R49-A63 HydrophobicContact CB-CB 3.75Å; R49-A63 HydrophobicContact CG-CB 4.38Å; R49-D64 IonicContact CZ-OD1 3.81Å; R49-D64 IonicContact NH2-OD1 2.63Å; R49-D64 PolarHBondContact NH2-OD1 3.23Å
50S87.9Confident89.9Confident95 Ų9598.2 Ų98.266%0.66447%0.469SS*.G310 helixtrans-92.6-11.3-178.365.80000113.3N47 V48N47-S50 PolarHBondContact O-N 3.12Å; N47-S50 PolarHBondContact O-OG 3.41Å; V48-S50 PolarHBondContact O-N 3.04Å; V48-S50 VanDerWaalsContact O-N 3.15Å
51T88.6Confident89.3Confident47 Ų4796.4 Ų96.429%0.28846%0.457SS..  trans-70.8155.8-179.4690000112.2V48 R59V48-T51 PolarHBondContact O-N 3.49Å; V48-T51 PolarHBondContact O-OG1 3.08Å; T51-R59 WeakPolarHBondContact O-CD 3.29Å; T51-R59 PolarHBondContact O-NH1 3.25Å
52R86.3Confident89Confident242 Ų24296.5 Ų96.591%0.91346%0.457SS*.SBendtrans-90-1.6176.5-63-175.8-178.2175.80.5113.3
53F83Confident88.7Confident157 Ų15795.4 Ų95.469%0.68945%0.448SS*.SBendtrans-84.6144.8179.7-63.2-73.8000110.1
54F84.7Confident88.4Confident159 Ų15995.5 Ų95.570%0.69745%0.449SS*.SBendtrans67169.4-176.7-54.4-78.2000116.1I58F54-I58 HydrophobicContact CB-CB 4.48Å; F54-I58 HydrophobicContact CB-CG2 4.4Å
55T86.6Confident88.3Confident86 Ų8691.1 Ų91.153%0.52843%0.43SS..  trans-72.7151177.663.20000111R57 I58 R59T55-R57 PolarHBondContact O-N 3.2Å; T55-R57 VanDerWaalsContact O-N 3.14Å; T55-I58 PolarHBondContact O-N 3.49Å; T55-I58 VanDerWaalsContact O-N 3.12Å; T55-I58 WeakPolarHBondContact OG1-CD1 3.43Å; T55-I58 WeakPolarHBondContact OG1-CG1 3.34Å; T55-R59 WeakPolarHBondContact O-CB 3.24Å; T55-R59 PolarHBondContact O-N 2.94Å; T55-R59 VanDerWaalsContact O-N 3.1Å
56L86.6Confident88.2Confident110 Ų11091 Ų9158%0.57643%0.43SS*.Hα-helixtrans-46.2-45.8179.3-79.6156.8000113.2R59 E60L56-R59 PolarHBondContact O-N 3.07Å; L56-E60 WeakPolarHBondContact O-CG 3.42Å; L56-E60 PolarHBondContact O-N 3.28Å
57R84.4Confident88.2Confident212 Ų21293.4 Ų93.480%0.844%0.443SS*.Hα-helixtrans-63.7-44.8-178.2-65.3-174.8-172.9164.42.4113.4T55 R59 F61T55-R57 PolarHBondContact O-N 3.2Å; T55-R57 VanDerWaalsContact O-N 3.14Å; R57-R59 VanDerWaalsContact C-N 3.28Å; R57-F61 WeakPolarHBondContact O-CB 3.16Å; R57-F61 PolarHBondContact O-N 3.27Å; R57-F61 VanDerWaalsContact O-N 3.09Å
58I87.1Confident88.1Confident81 Ų8190 Ų9042%0.41542%0.424SS..Hα-helixtrans-67.6-37.9-179.3-64.4172.1000109.7F54 T55 F61 I62F54-I58 HydrophobicContact CB-CB 4.48Å; F54-I58 HydrophobicContact CB-CG2 4.4Å; T55-I58 PolarHBondContact O-N 3.49Å; T55-I58 VanDerWaalsContact O-N 3.12Å; T55-I58 WeakPolarHBondContact OG1-CD1 3.43Å; T55-I58 WeakPolarHBondContact OG1-CG1 3.34Å; I58-F61 WeakPolarHBondContact O-CB 3.33Å; I58-F61 PolarHBondContact O-N 2.98Å; I58-I62 HydrophobicContact CG2-CD1 3.84Å; I58-I62 HydrophobicContact CG2-CG1 4.46Å; I58-I62 WeakPolarHBondContact O-CG1 3.32Å; I58-I62 PolarHBondContact O-N 3.09Å
59R89.8Confident88.2Confident51 Ų5191.2 Ų91.219%0.19243%0.43CS..Hα-helixtrans-66.8-47.1-178.8-167.9-173.263.6178.15.8112.6V48 R49 T51 T55 L56 R57 F61 A63V48-R59 HydrophobicContact CG1-CG 3.88Å; V48-R59 WeakPolarHBondContact O-CD 3.21Å; V48-R59 WeakPolarHBondContact O-CG 3.48Å; R49-R59 VanDerWaalsContact O-CD 3.27Å; R49-R59 WeakPolarHBondContact O-CD 3.48Å; R49-R59 PolarHBondContact O-NE 2.99Å; T51-R59 WeakPolarHBondContact O-CD 3.29Å; T51-R59 PolarHBondContact O-NH1 3.25Å; T55-R59 WeakPolarHBondContact O-CB 3.24Å; T55-R59 PolarHBondContact O-N 2.94Å; T55-R59 VanDerWaalsContact O-N 3.1Å; L56-R59 PolarHBondContact O-N 3.07Å; R57-R59 VanDerWaalsContact C-N 3.28Å; R59-F61 VanDerWaalsContact C-N 3.34Å; R59-A63 PolarHBondContact O-N 2.93Å
60E88.4Confident88.4Confident90 Ų9086.1 Ų86.142%0.42141%0.411SS..Hα-helixtrans-61.4-45.2174.7-73.7166-177.100110.7L56 I62 A63 D64L56-E60 WeakPolarHBondContact O-CG 3.42Å; L56-E60 PolarHBondContact O-N 3.28Å; E60-I62 PolarHBondContact O-N 2.77Å; E60-A63 PolarHBondContact O-N 3.21Å; E60-D64 WeakPolarHBondContact O-CB 3.15Å; E60-D64 PolarHBondContact O-N 3.18Å
61F85.6Confident88.6Confident80 Ų8084.7 Ų84.735%0.35140%0.398SS..Hα-helixtrans-56-52.5176.9177.6-89.9000113R57 I58 R59 A63 D64 F65 I287R57-F61 WeakPolarHBondContact O-CB 3.16Å; R57-F61 PolarHBondContact O-N 3.27Å; R57-F61 VanDerWaalsContact O-N 3.09Å; I58-F61 WeakPolarHBondContact O-CB 3.33Å; I58-F61 PolarHBondContact O-N 2.98Å; R59-F61 VanDerWaalsContact C-N 3.34Å; F61-A63 PolarHBondContact O-N 3.46Å; F61-D64 PolarHBondContact O-N 3.07Å; F61-F65 HydrophobicContact CD1-CD2 4.36Å; F61-F65 AromaticContact CD2-CD2 3.78Å; F61-F65 HydrophobicContact CD2-CD2 3.78Å; F61-F65 AromaticContact CD2-CE2 3.55Å; F61-F65 HydrophobicContact CD2-CE2 3.55Å; F61-F65 HydrophobicContact CE1-CD2 4.22Å; F61-F65 AromaticContact CE2-CD2 3.65Å; F61-F65 HydrophobicContact CE2-CD2 3.65Å; F61-F65 AromaticContact CE2-CE2 3.42Å; F61-F65 HydrophobicContact CE2-CE2 3.42Å; F61-F65 VanDerWaalsContact CE2-CE2 3.42Å; F61-F65 HydrophobicContact CE2-CZ 4.4Å; F61-F65 HydrophobicContact CG-CD2 4.14Å; F61-F65 HydrophobicContact CG-CE2 4.33Å; F61-F65 AromaticContact CZ-CD2 3.87Å; F61-F65 HydrophobicContact CZ-CD2 3.87Å; F61-F65 HydrophobicContact CZ-CE2 4.07Å; F61-F65 WeakPolarHBondContact O-CD2 3.33Å; F61-F65 PolarHBondContact O-N 3.38Å; F61-F65 VanDerWaalsContact O-N 3.14Å; F61-I287 HydrophobicContact CE2-CB 4.4Å; F61-I287 HydrophobicContact CE2-CD1 3.43Å; F61-I287 VanDerWaalsContact CE2-CD1 3.43Å; F61-I287 HydrophobicContact CE2-CG1 3.67Å; F61-I287 HydrophobicContact CE2-CG2 3.82Å; F61-I287 HydrophobicContact CZ-CB 4.47Å; F61-I287 HydrophobicContact CZ-CD1 3.36Å; F61-I287 HydrophobicContact CZ-CG1 3.99Å; F61-I287 HydrophobicContact CZ-CG2 3.74Å
62I89.4Confident88.7Confident42 Ų4284.5 Ų84.522%0.21540%0.395CS..Hα-helixtrans-60.5-38.3-179.6-68.9167.9000111.1L45 V48 I58 E60 S66L45-I62 HydrophobicContact CB-CG2 4.46Å; L45-I62 HydrophobicContact CD2-CG2 3.86Å; V48-I62 HydrophobicContact CB-CG2 4.37Å; V48-I62 HydrophobicContact CG1-CB 4.47Å; V48-I62 HydrophobicContact CG1-CG2 4.33Å; V48-I62 HydrophobicContact CG2-CG2 4.41Å; I58-I62 HydrophobicContact CG2-CD1 3.84Å; I58-I62 HydrophobicContact CG2-CG1 4.46Å; I58-I62 WeakPolarHBondContact O-CG1 3.32Å; I58-I62 PolarHBondContact O-N 3.09Å; E60-I62 PolarHBondContact O-N 2.77Å; I62-S66 WeakPolarHBondContact O-CA 2.93Å; I62-S66 PolarHBondContact O-N 2.9Å
63A89.6Confident89.1Confident3 Ų376.6 Ų76.63%0.02537%0.37CS..Hα-helixtrans-70.6-40.8179.600000112.4R49 R59 E60 F61 F65 S66R49-A63 HydrophobicContact CB-CB 3.75Å; R49-A63 HydrophobicContact CG-CB 4.38Å; R59-A63 PolarHBondContact O-N 2.93Å; E60-A63 PolarHBondContact O-N 3.21Å; F61-A63 PolarHBondContact O-N 3.46Å; A63-F65 VanDerWaalsContact C-N 3.33Å; A63-F65 PolarHBondContact O-N 2.97Å; A63-S66 VanDerWaalsContact O-CB 3.22Å; A63-S66 WeakPolarHBondContact O-CB 3.4Å; A63-S66 PolarHBondContact O-N 2.85Å; A63-S66 PolarHBondContact O-OG 3.14Å
64D88.3Confident89.6Confident103 Ų10370.1 Ų70.155%0.55134%0.342SS*.Hα-helixtrans-64.8-36.6179.4-67.8-11.5000111.9R49 E60 F61R49-D64 IonicContact CZ-OD1 3.81Å; R49-D64 IonicContact NH2-OD1 2.63Å; R49-D64 PolarHBondContact NH2-OD1 3.23Å; E60-D64 WeakPolarHBondContact O-CB 3.15Å; E60-D64 PolarHBondContact O-N 3.18Å; F61-D64 PolarHBondContact O-N 3.07Å
65F90.6Very high89.9Confident45 Ų4566.5 Ų66.520%0.19733%0.333CS..THydrogen-bonded Turntrans-96.211.8176.8-61.9-74.9000113.9F61 A63 L67 L68 I69 P283 I287F61-F65 HydrophobicContact CD1-CD2 4.36Å; F61-F65 AromaticContact CD2-CD2 3.78Å; F61-F65 HydrophobicContact CD2-CD2 3.78Å; F61-F65 AromaticContact CD2-CE2 3.55Å; F61-F65 HydrophobicContact CD2-CE2 3.55Å; F61-F65 HydrophobicContact CE1-CD2 4.22Å; F61-F65 AromaticContact CE2-CD2 3.65Å; F61-F65 HydrophobicContact CE2-CD2 3.65Å; F61-F65 AromaticContact CE2-CE2 3.42Å; F61-F65 HydrophobicContact CE2-CE2 3.42Å; F61-F65 VanDerWaalsContact CE2-CE2 3.42Å; F61-F65 HydrophobicContact CE2-CZ 4.4Å; F61-F65 HydrophobicContact CG-CD2 4.14Å; F61-F65 HydrophobicContact CG-CE2 4.33Å; F61-F65 AromaticContact CZ-CD2 3.87Å; F61-F65 HydrophobicContact CZ-CD2 3.87Å; F61-F65 HydrophobicContact CZ-CE2 4.07Å; F61-F65 WeakPolarHBondContact O-CD2 3.33Å; F61-F65 PolarHBondContact O-N 3.38Å; F61-F65 VanDerWaalsContact O-N 3.14Å; A63-F65 VanDerWaalsContact C-N 3.33Å; A63-F65 PolarHBondContact O-N 2.97Å; F65-L67 PolarHBondContact O-N 2.81Å; F65-L68 PolarHBondContact O-N 3.17Å; F65-L68 VanDerWaalsContact O-N 3.13Å; F65-I69 HydrophobicContact CB-CD1 4.05Å; F65-I69 HydrophobicContact CB-CG1 4.3Å; F65-I69 WeakPolarHBondContact O-CG1 3.49Å; F65-I69 PolarHBondContact O-N 2.98Å; F65-P283 HydrophobicContact CD1-CB 4.05Å; F65-P283 HydrophobicContact CE1-CB 3.55Å; F65-I287 HydrophobicContact CD1-CD1 3.96Å; F65-I287 HydrophobicContact CD2-CD1 3.79Å; F65-I287 HydrophobicContact CE1-CD1 3.63Å; F65-I287 HydrophobicContact CE1-CG1 4.37Å; F65-I287 HydrophobicContact CE2-CD1 3.5Å; F65-I287 HydrophobicContact CE2-CG1 4.1Å; F65-I287 HydrophobicContact CG-CD1 4.04Å; F65-I287 HydrophobicContact CZ-CD1 3.41Å; F65-I287 VanDerWaalsContact CZ-CD1 3.41Å; F65-I287 HydrophobicContact CZ-CG1 3.84Å
66S92.4Very high90.1Very high16 Ų1664.4 Ų64.411%0.11233%0.325CS..Hα-helixtrans-52-51.9-174.753.70000112.7I62 A63 L68 I69 T70I62-S66 WeakPolarHBondContact O-CA 2.93Å; I62-S66 PolarHBondContact O-N 2.9Å; A63-S66 VanDerWaalsContact O-CB 3.22Å; A63-S66 WeakPolarHBondContact O-CB 3.4Å; A63-S66 PolarHBondContact O-N 2.85Å; A63-S66 PolarHBondContact O-OG 3.14Å; S66-L68 PolarHBondContact O-N 3.09Å; S66-I69 PolarHBondContact O-N 3.13Å; S66-T70 WeakPolarHBondContact O-CB 3.29Å; S66-T70 PolarHBondContact O-N 3.22Å; S66-T70 PolarHBondContact O-OG1 2.86Å
67L91.4Very high90.4Very high121 Ų12161.6 Ų61.663%0.63431%0.312SS*.Hα-helixtrans-59.2-45.1179.1179.763.1000112.2F65 T70 V71F65-L67 PolarHBondContact O-N 2.81Å; L67-T70 PolarHBondContact O-N 3.02Å; L67-V71 HydrophobicContact CD1-CG2 4.34Å; L67-V71 VanDerWaalsContact O-CG2 3.31Å; L67-V71 WeakPolarHBondContact O-CG2 3.45Å; L67-V71 PolarHBondContact O-N 3.45Å
68L90.5Very high90.8Very high23 Ų2353.2 Ų53.212%0.1228%0.283CS..Hα-helixtrans-64.1-50.5-179.3-173.3154.1000110.3F65 S66 T70 V71 L72 P283 L284F65-L68 PolarHBondContact O-N 3.17Å; F65-L68 VanDerWaalsContact O-N 3.13Å; S66-L68 PolarHBondContact O-N 3.09Å; L68-T70 VanDerWaalsContact C-N 3.28Å; L68-T70 PolarHBondContact O-N 3.43Å; L68-V71 PolarHBondContact O-N 2.95Å; L68-L72 HydrophobicContact CD2-CD1 3.62Å; L68-L72 HydrophobicContact CD2-CG 4.03Å; L68-L72 WeakPolarHBondContact O-CG 3.29Å; L68-L72 PolarHBondContact O-N 3.37Å; L68-P283 HydrophobicContact CD1-CB 3.99Å; L68-P283 HydrophobicContact CD1-CG 3.81Å; L68-L284 HydrophobicContact CD1-CG 4.19Å; L68-L284 HydrophobicContact CD2-CD1 3.38Å; L68-L284 HydrophobicContact CD2-CD2 3.85Å; L68-L284 HydrophobicContact CD2-CG 3.41Å; L68-L284 VanDerWaalsContact CD2-CG 3.41Å; L68-L284 HydrophobicContact CG-CG 4.49Å
69I91.4Very high90.9Very high43 Ų4358.3 Ų58.322%0.22130%0.298CS..Hα-helixtrans-58.3-43178.4-67.1168.4000110.5L45 F65 S66 L72 I73L45-I69 HydrophobicContact CD1-CB 3.96Å; L45-I69 HydrophobicContact CD1-CG2 3.67Å; F65-I69 HydrophobicContact CB-CD1 4.05Å; F65-I69 HydrophobicContact CB-CG1 4.3Å; F65-I69 WeakPolarHBondContact O-CG1 3.49Å; F65-I69 PolarHBondContact O-N 2.98Å; S66-I69 PolarHBondContact O-N 3.13Å; I69-L72 PolarHBondContact O-N 2.94Å; I69-I73 HydrophobicContact CG2-CD1 3.59Å; I69-I73 HydrophobicContact CG2-CG1 4.32Å; I69-I73 VanDerWaalsContact O-CG1 3.3Å; I69-I73 WeakPolarHBondContact O-CG1 3.48Å; I69-I73 PolarHBondContact O-N 2.72Å
70T94.8Very high91.1Very high3 Ų366 Ų662%0.01833%0.328CS..Hα-helixtrans-58.6-50.6175.3-66.60000111.8S38 L41 A42 S66 L67 L68 L72 I73 M74S38-T70 VanDerWaalsContact O-CG2 3.23Å; S38-T70 WeakPolarHBondContact O-CG2 3.36Å; L41-T70 HydrophobicContact CB-CG2 4.23Å; L41-T70 HydrophobicContact CD2-CG2 4.24Å; L41-T70 HydrophobicContact CG-CG2 4.34Å; A42-T70 WeakPolarHBondContact CA-OG1 3.5Å; A42-T70 HydrophobicContact CB-CG2 4.15Å; A42-T70 PolarHBondContact N-OG1 2.89Å; S66-T70 WeakPolarHBondContact O-CB 3.29Å; S66-T70 PolarHBondContact O-N 3.22Å; S66-T70 PolarHBondContact O-OG1 2.86Å; L67-T70 PolarHBondContact O-N 3.02Å; L68-T70 VanDerWaalsContact C-N 3.28Å; L68-T70 PolarHBondContact O-N 3.43Å; T70-L72 VanDerWaalsContact C-N 3.27Å; T70-L72 PolarHBondContact O-N 3.46Å; T70-I73 PolarHBondContact O-N 3.06Å; T70-M74 HydrophobicContact CG2-CG 4.21Å; T70-M74 WeakPolarHBondContact O-CB 3.39Å; T70-M74 VanDerWaalsContact O-CG 3.24Å; T70-M74 WeakPolarHBondContact O-CG 3.33Å; T70-M74 PolarHBondContact O-N 3.44Å
71V91.7Very high91.1Very high64 Ų6465.1 Ų65.139%0.38833%0.328SS..Hα-helixtrans-59.4-40.7179.9169.80000110.7L67 L68 T75L67-V71 HydrophobicContact CD1-CG2 4.34Å; L67-V71 VanDerWaalsContact O-CG2 3.31Å; L67-V71 WeakPolarHBondContact O-CG2 3.45Å; L67-V71 PolarHBondContact O-N 3.45Å; L68-V71 PolarHBondContact O-N 2.95Å; V71-T75 WeakPolarHBondContact O-CB 3.5Å; V71-T75 PolarHBondContact O-N 3.23Å; V71-T75 PolarHBondContact O-OG1 3.36Å
72L90.6Very high91Very high44 Ų4465.1 Ų65.123%0.2334%0.343CS..Hα-helixtrans-66.5-46.7178.2-64.5-170.1000113.2L68 I69 T70 T75 A76 F281 L284L68-L72 HydrophobicContact CD2-CD1 3.62Å; L68-L72 HydrophobicContact CD2-CG 4.03Å; L68-L72 WeakPolarHBondContact O-CG 3.29Å; L68-L72 PolarHBondContact O-N 3.37Å; I69-L72 PolarHBondContact O-N 2.94Å; T70-L72 VanDerWaalsContact C-N 3.27Å; T70-L72 PolarHBondContact O-N 3.46Å; L72-T75 PolarHBondContact O-N 3.24Å; L72-A76 WeakPolarHBondContact O-CB 3.27Å; L72-A76 PolarHBondContact O-N 3.02Å; L72-F281 HydrophobicContact CD1-CD1 3.93Å; L72-F281 HydrophobicContact CD1-CE1 3.55Å; L72-F281 HydrophobicContact CD2-CD1 3.92Å; L72-F281 HydrophobicContact CD2-CE1 3.06Å; L72-F281 HydrophobicContact CD2-CE2 4.2Å; L72-F281 HydrophobicContact CD2-CZ 3.22Å; L72-F281 HydrophobicContact CG-CE1 3.92Å; L72-F281 HydrophobicContact CG-CZ 4.48Å; L72-L284 HydrophobicContact CD1-CD1 3.43Å; L72-L284 VanDerWaalsContact CD1-CD1 3.43Å
73I93.7Very high90.5Very high76 Ų7665.1 Ų65.139%0.3934%0.343SS..Hα-helixtrans-63.1-45.3179.3-69.4170.9000110L41 I69 T70 A76 V77L41-I73 HydrophobicContact CD2-CB 3.96Å; L41-I73 HydrophobicContact CD2-CD1 4.08Å; L41-I73 HydrophobicContact CD2-CG2 3.79Å; I69-I73 HydrophobicContact CG2-CD1 3.59Å; I69-I73 HydrophobicContact CG2-CG1 4.32Å; I69-I73 VanDerWaalsContact O-CG1 3.3Å; I69-I73 WeakPolarHBondContact O-CG1 3.48Å; I69-I73 PolarHBondContact O-N 2.72Å; T70-I73 PolarHBondContact O-N 3.06Å; I73-A76 WeakPolarHBondContact O-CB 3.49Å; I73-A76 PolarHBondContact O-N 3.38Å; I73-V77 WeakPolarHBondContact O-CG2 3.37Å; I73-V77 PolarHBondContact O-N 3.45Å
74M93.4Very high89.9Confident20 Ų2068.8 Ų68.810%0.09937%0.366CS..Hα-helixtrans-72-33.5-177.2-65.2-57.5-62.100112.4L34 S38 L41 T70 V77 N78L34-M74 HydrophobicContact CB-CE 4.21Å; L34-M74 HydrophobicContact CD2-CE 3.53Å; L34-M74 HydrophobicContact CG-CE 4.45Å; L34-M74 WeakPolarHBondContact O-CE 3.49Å; S38-M74 VanDerWaalsContact OG-CG 3.29Å; S38-M74 WeakPolarHBondContact OG-CG 3.45Å; L41-M74 HydrophobicContact CD2-CG 4.36Å; L41-M74 HydrophobicContact CD2-SD 4.39Å; T70-M74 HydrophobicContact CG2-CG 4.21Å; T70-M74 WeakPolarHBondContact O-CB 3.39Å; T70-M74 VanDerWaalsContact O-CG 3.24Å; T70-M74 WeakPolarHBondContact O-CG 3.33Å; T70-M74 PolarHBondContact O-N 3.44Å; M74-V77 PolarHBondContact O-N 3.36Å; M74-N78 WeakPolarHBondContact O-CB 3.07Å; M74-N78 PolarHBondContact O-N 3.4Å
75T91Very high89.5Confident84 Ų8465 Ų6552%0.51535%0.346SS..Hα-helixtrans-66.8-39.9171-58.40000111.2V71 L72 N78 Y79V71-T75 WeakPolarHBondContact O-CB 3.5Å; V71-T75 PolarHBondContact O-N 3.23Å; V71-T75 PolarHBondContact O-OG1 3.36Å; L72-T75 PolarHBondContact O-N 3.24Å; T75-N78 WeakPolarHBondContact O-CB 3.35Å; T75-N78 PolarHBondContact O-N 3.16Å; T75-Y79 WeakPolarHBondContact O-CB 3.26Å; T75-Y79 PolarHBondContact O-N 3.48Å
76A92.2Very high89Confident42 Ų4268.3 Ų68.335%0.34737%0.372SS..Hα-helixtrans-62.5-48.8173.300000110.7L72 I73 N78 Y79 W80L72-A76 WeakPolarHBondContact O-CB 3.27Å; L72-A76 PolarHBondContact O-N 3.02Å; I73-A76 WeakPolarHBondContact O-CB 3.49Å; I73-A76 PolarHBondContact O-N 3.38Å; A76-N78 VanDerWaalsContact C-N 3.29Å; A76-N78 PolarHBondContact O-N 3.3Å; A76-Y79 WeakPolarHBondContact O-CA 3.33Å; A76-Y79 WeakPolarHBondContact O-CB 3.37Å; A76-Y79 PolarHBondContact O-N 3.22Å; A76-W80 PolarHBondContact O-N 3.22Å
77V92.7Very high88.2Confident50 Ų5071.7 Ų71.730%0.30340%0.395SS..Hα-helixtrans-56.6-43.6176.5170.20000111.3F30 L34 I73 M74 Y79 W80 V81F30-V77 HydrophobicContact CE2-CG1 4.39Å; F30-V77 HydrophobicContact CZ-CG1 4.26Å; L34-V77 HydrophobicContact CD2-CG1 4.26Å; I73-V77 WeakPolarHBondContact O-CG2 3.37Å; I73-V77 PolarHBondContact O-N 3.45Å; M74-V77 PolarHBondContact O-N 3.36Å; V77-Y79 VanDerWaalsContact C-N 3.34Å; V77-Y79 PolarHBondContact O-N 3.21Å; V77-W80 PolarHBondContact O-N 3.13Å; V77-V81 HydrophobicContact CG1-CG2 4.38Å; V77-V81 WeakPolarHBondContact O-CB 3.49Å; V77-V81 WeakPolarHBondContact O-CG2 3.46Å; V77-V81 PolarHBondContact O-N 3.03Å
78N92.1Very high87.7Confident37 Ų3773.6 Ų73.620%0.19840%0.404CS..Hα-helixtrans-58.4-45.9174.4-17637.3000111.9L34 M74 T75 A76 A82 I85L34-N78 HydrophobicContact CD1-CB 4.09Å; L34-N78 HydrophobicContact CD2-CB 4.4Å; M74-N78 WeakPolarHBondContact O-CB 3.07Å; M74-N78 PolarHBondContact O-N 3.4Å; T75-N78 WeakPolarHBondContact O-CB 3.35Å; T75-N78 PolarHBondContact O-N 3.16Å; A76-N78 VanDerWaalsContact C-N 3.29Å; A76-N78 PolarHBondContact O-N 3.3Å; N78-A82 PolarHBondContact O-N 3.49Å; N78-I85 WeakPolarHBondContact OD1-CD1 3.47Å
79Y90.3Very high86.8Confident188 Ų18881.9 Ų81.974%0.73744%0.44SS*.Hα-helixtrans-62.7-43.1177.2-180-97.2000112.8T75 A76 V77 A82T75-Y79 WeakPolarHBondContact O-CB 3.26Å; T75-Y79 PolarHBondContact O-N 3.48Å; A76-Y79 WeakPolarHBondContact O-CA 3.33Å; A76-Y79 WeakPolarHBondContact O-CB 3.37Å; A76-Y79 PolarHBondContact O-N 3.22Å; V77-Y79 VanDerWaalsContact C-N 3.34Å; V77-Y79 PolarHBondContact O-N 3.21Å; Y79-A82 PolarHBondContact O-N 2.95Å
80W92.6Very high86.1Confident213 Ų21386.3 Ų86.381%0.80746%0.462SS*.Hα-helixtrans-67.8-38.2-179.8-77.4106000113.4A76 V77 A82A76-W80 PolarHBondContact O-N 3.22Å; V77-W80 PolarHBondContact O-N 3.13Å; W80-A82 VanDerWaalsContact C-N 3.31Å
81V89.2Confident85.3Confident70 Ų7091.3 Ų91.342%0.42450%0.495SS..Hα-helixtrans-77.7-21.8178.9175.50000111.2F30 V77 L83F30-V81 HydrophobicContact CD1-CG1 4.31Å; F30-V81 HydrophobicContact CD2-CG1 4.26Å; F30-V81 HydrophobicContact CE1-CB 4.01Å; F30-V81 HydrophobicContact CE1-CG1 3.87Å; F30-V81 HydrophobicContact CE2-CB 4.02Å; F30-V81 HydrophobicContact CE2-CG1 3.82Å; F30-V81 HydrophobicContact CE2-CG2 3.9Å; F30-V81 HydrophobicContact CZ-CB 3.52Å; F30-V81 HydrophobicContact CZ-CG1 3.62Å; F30-V81 HydrophobicContact CZ-CG2 3.77Å; V77-V81 HydrophobicContact CG1-CG2 4.38Å; V77-V81 WeakPolarHBondContact O-CB 3.49Å; V77-V81 WeakPolarHBondContact O-CG2 3.46Å; V77-V81 PolarHBondContact O-N 3.03Å; V81-L83 HydrophobicContact CG1-CD1 3.65Å; V81-L83 HydrophobicContact CG1-CG 3.78Å; V81-L83 PolarHBondContact O-N 2.82Å
82A82.4Confident84.6Confident81 Ų8195.1 Ų95.167%0.66952%0.518SS*.THydrogen-bonded Turntrans50.933.417100000114.6N78 Y79 W80N78-A82 PolarHBondContact O-N 3.49Å; Y79-A82 PolarHBondContact O-N 2.95Å; W80-A82 VanDerWaalsContact C-N 3.31Å
83L79.6Confident83.9Confident42 Ų4296.2 Ų96.222%0.2253%0.53CS..  trans-78.8140.8172.7-75.1170.5000109.8F30 V81 I85F30-L83 HydrophobicContact CB-CD1 3.64Å; F30-L83 HydrophobicContact CD1-CB 4.04Å; F30-L83 HydrophobicContact CD1-CD1 3.54Å; F30-L83 HydrophobicContact CD1-CG 4.34Å; F30-L83 HydrophobicContact CD2-CD1 4.35Å; F30-L83 HydrophobicContact CE1-CB 4.43Å; F30-L83 HydrophobicContact CE1-CD1 4.28Å; F30-L83 HydrophobicContact CG-CD1 3.6Å; V81-L83 HydrophobicContact CG1-CD1 3.65Å; V81-L83 HydrophobicContact CG1-CG 3.78Å; V81-L83 PolarHBondContact O-N 2.82Å; L83-I85 HydrophobicContact CB-CG1 4.3Å; L83-I85 PolarHBondContact O-N 2.78Å
84P76.6Confident83.1Confident79 Ų79102.1 Ų102.151%0.51355%0.553SS.*  trans-76.673.517833.2-35.3000110K24K24-P84 HydrophobicContact CD-CG 3.71Å; K24-P84 VanDerWaalsContact NZ-CD 3.3Å
85I80.6Confident82.5Confident25 Ų25108.9 Ų108.913%0.12858%0.582CS.*  trans-76.1146.4172.1-60.4166.8000108.1V27 F30 L34 N78 L83 C87V27-I85 HydrophobicContact CG1-CG1 4.29Å; F30-I85 HydrophobicContact CD1-CD1 3.18Å; F30-I85 HydrophobicContact CD1-CG1 3.99Å; F30-I85 HydrophobicContact CE1-CD1 3.39Å; F30-I85 HydrophobicContact CE1-CG1 4.49Å; F30-I85 HydrophobicContact CG-CD1 4.38Å; L34-I85 HydrophobicContact CD1-CD1 3.46Å; L34-I85 VanDerWaalsContact CD1-CD1 3.46Å; N78-I85 WeakPolarHBondContact OD1-CD1 3.47Å; L83-I85 HydrophobicContact CB-CG1 4.3Å; L83-I85 PolarHBondContact O-N 2.78Å; I85-C87 PolarHBondContact O-N 2.85Å
86P79.3Confident82.1Confident114 Ų114106.1 Ų106.174%0.7457%0.565SS**  trans-59.798167.926.2-36.4000110.8
87C76.9Confident81.3Confident87 Ų87111.4 Ų111.459%0.58859%0.593SS**  trans-79.1144.8170.4-64.60000110.2I85 K89I85-C87 PolarHBondContact O-N 2.85Å; C87-K89 PolarHBondContact O-N 2.98Å
88L79.2Confident80.7Confident160 Ų160115 Ų11584%0.83861%0.61SS**  trans-64.8117174.4-173.664.9000109.5I90L88-I90 PolarHBondContact O-N 3.47Å
89K73.6Confident80.1Confident198 Ų198123.3 Ų123.386%0.86165%0.647SS**  trans-76.2104.9176.2-65-179.7-177.8178.40108.9C87C87-K89 PolarHBondContact O-N 2.98Å
90I76.6Confident79.8Confident136 Ų136118.2 Ų118.270%0.69763%0.627SS**  trans-82125176.2-58.2167.8000108.3L88L88-I90 PolarHBondContact O-N 3.47Å
91P76.6Confident79.5Confident107 Ų107114.3 Ų114.370%0.69562%0.621SS**  trans-72.1136174.529.8-33.2000110.6S93P91-S93 VanDerWaalsContact C-N 3.31Å
92T76.6Confident79.3Confident144 Ų144116.5 Ų116.588%0.88362%0.622SS**SBendtrans-84.4-2.5176.852.90000113.6
93S77.2Confident79.6Confident67 Ų67116.5 Ų116.547%0.46961%0.614SS.*SBendtrans-139.1136.7-179-59.30000110.4P91 K95P91-S93 VanDerWaalsContact C-N 3.31Å; S93-K95 PolarHBondContact O-N 2.87Å
94F76.8Confident79.8Confident200 Ų200117.5 Ų117.588%0.87762%0.621SS**  trans-65.2100.7172.5-71.5-76.9000109.8W102F94-W102 HydrophobicContact CB-CZ2 4.49Å
95K81.2Confident80.2Confident163 Ų163118.8 Ų118.871%0.70962%0.624SS**  trans-131.5149.3175.1-67.7-175.1179.2-176.80109.4S93S93-K95 PolarHBondContact O-N 2.87Å
96P81Confident80.2Confident26 Ų26122.4 Ų122.417%0.16965%0.649CS.*  trans-60154.9168.821.3-26.3000110.8I98 R100P96-I98 CarbonylContact C-O 3.57Å; P96-I98 WeakPolarHBondContact CG-O 3.21Å; P96-I98 PolarHBondContact O-N 3.39Å; P96-I98 VanDerWaalsContact O-N 3.15Å; P96-R100 HydrophobicContact CB-CG 3.68Å; P96-R100 HydrophobicContact CG-CG 3.76Å; P96-R100 WeakPolarHBondContact CG-O 3.44Å
97T76.1Confident80.3Confident152 Ų152124.8 Ų124.893%0.93366%0.655SS**SBendtrans-60-25.5-176.3-470000113.4
98I79.7Confident80.5Confident126 Ų126127.2 Ų127.265%0.64666%0.662SS**SBendtrans-115.2152.2173.1-58.9170000106.7P96 R100P96-I98 CarbonylContact C-O 3.57Å; P96-I98 WeakPolarHBondContact CG-O 3.21Å; P96-I98 PolarHBondContact O-N 3.39Å; P96-I98 VanDerWaalsContact O-N 3.15Å; I98-R100 PolarHBondContact O-N 3.26Å
99E80.9Confident80.6Confident211 Ų211123.3 Ų123.399%0.98664%0.642SS**SBendtrans-64.173.4171.5-64.5-171.3166.400111.3
100R83.4Confident81Confident82 Ų82122.7 Ų122.731%0.30964%0.641SS.*  trans-126.5162.5-178.869.5167.3-174.790-4.4111.7P96 I98 W102 L170 A171P96-R100 HydrophobicContact CB-CG 3.68Å; P96-R100 HydrophobicContact CG-CG 3.76Å; P96-R100 WeakPolarHBondContact CG-O 3.44Å; I98-R100 PolarHBondContact O-N 3.26Å; R100-W102 PolarHBondContact NH1-O 3.26Å; R100-L170 PolarHBondContact NH1-O 3.05Å; R100-L170 PolarHBondContact NH2-O 3.12Å; R100-A171 PolarHBondContact NH2-O 3.48Å
101N85.3Confident81.7Confident130 Ų130122.4 Ų122.470%0.69563%0.632SS**  trans-70.1153.3168.9-65.7-29.7000111
102W86.1Confident82.2Confident117 Ų117127.1 Ų127.144%0.44364%0.636SS.*SBendtrans-65.6-45.3179.7-78.697.4000112.6F94 R100 L170 I172F94-W102 HydrophobicContact CB-CZ2 4.49Å; R100-W102 PolarHBondContact NH1-O 3.26Å; W102-L170 HydrophobicContact CB-CD2 4.45Å; W102-L170 CarbonylContact O-C 3.55Å; W102-L170 VanDerWaalsContact O-CA 3.3Å; W102-L170 WeakPolarHBondContact O-CA 3.37Å; W102-I172 HydrophobicContact CE3-CD1 4.27Å; W102-I172 HydrophobicContact CE3-CG1 4.49Å; W102-I172 HydrophobicContact CZ3-CD1 3.9Å; W102-I172 HydrophobicContact CZ3-CG1 4.14Å
103V87.8Confident82.8Confident81 Ų81125.8 Ų125.849%0.49162%0.615SS.*SBendtrans-79.5126.4176.1-1790000108.7I169V103-I169 HydrophobicContact CG1-CG2 4.1Å
104V84.6Confident83.5Confident62 Ų62125.2 Ų125.238%0.37661%0.606SS.*  trans-90.8120.4173178.50000108.8P106 I169 A171V104-P106 VanDerWaalsContact O-CD 3.25Å; V104-P106 WeakPolarHBondContact O-CD 3.48Å; V104-I169 PolarHBondContact N-O 3.33Å; V104-A171 HydrophobicContact CB-CB 4.41Å; V104-A171 HydrophobicContact CG2-CB 3.35Å
105D85.5Confident84Confident107 Ų107118.9 Ų118.957%0.57259%0.585SS**  trans-71.6113.2174-67.4-45.4000109.3L107 D108D105-L107 PolarHBondContact O-N 2.81Å; D105-L107 VanDerWaalsContact O-N 3.15Å; D105-D108 HydrophobicContact CB-CB 4.22Å
106P80.3Confident84.5Confident101 Ų101116.7 Ų116.766%0.65658%0.58SS**THydrogen-bonded Turntrans-71.1-10.3-177.129.8-35.7000113.1V104 L109V104-P106 VanDerWaalsContact O-CD 3.25Å; V104-P106 WeakPolarHBondContact O-CD 3.48Å; P106-L109 VanDerWaalsContact O-CD1 3.25Å; P106-L109 WeakPolarHBondContact O-CD1 3.18Å
107L81.8Confident85Confident163 Ų163118.3 Ų118.385%0.85360%0.596SS**THydrogen-bonded Turntrans-102.1-7.4-173.3-71.3152.7000113.3D105 L109D105-L107 PolarHBondContact O-N 2.81Å; D105-L107 VanDerWaalsContact O-N 3.15Å; L107-L109 PolarHBondContact O-N 3.43Å
108D80.4Confident85.8Confident138 Ų138114.3 Ų114.374%0.73857%0.574SS**  trans-80.942.1-178.5-16633.6000112.9D105D105-D108 HydrophobicContact CB-CB 4.22Å
109L80.2Confident86.4Confident79 Ų79112.9 Ų112.941%0.41457%0.566SS.*  trans-98.7121.1-172.3-71.1162.1000111.3P106 L107 R111 I114 P115P106-L109 VanDerWaalsContact O-CD1 3.25Å; P106-L109 WeakPolarHBondContact O-CD1 3.18Å; L107-L109 PolarHBondContact O-N 3.43Å; L109-R111 PolarHBondContact O-N 2.88Å; L109-I114 HydrophobicContact CD2-CB 4.2Å; L109-I114 HydrophobicContact CD2-CD1 4.21Å; L109-I114 HydrophobicContact CD2-CG2 3.78Å; L109-P115 HydrophobicContact CD1-CG 3.65Å
110E82.8Confident87Confident184 Ų184108.6 Ų108.686%0.8655%0.549SS*.SBendtrans-60.4-27.4178.3-63-175171.300113.9
111R90.5Very high87.6Confident130 Ų130107.3 Ų107.349%0.49155%0.552SS.*  trans-133.8130.3-171.7-65.4161.5-175.6-111.410.9112L109 W113 I114L109-R111 PolarHBondContact O-N 2.88Å; R111-W113 VanDerWaalsContact C-N 3.29Å; R111-W113 HydrophobicContact CB-CD2 3.99Å; R111-W113 HydrophobicContact CB-CE3 4.21Å; R111-W113 HydrophobicContact CB-CH2 4.24Å; R111-W113 HydrophobicContact CB-CZ2 4.04Å; R111-W113 HydrophobicContact CB-CZ3 4.3Å; R111-W113 HydrophobicContact CG-CH2 3.94Å; R111-W113 HydrophobicContact CG-CZ2 3.86Å; R111-W113 HydrophobicContact CG-CZ3 4.38Å; R111-W113 PolarHBondContact O-N 2.9Å; R111-I114 HydrophobicContact CB-CD1 3.83Å; R111-I114 HydrophobicContact CB-CG1 4.03Å; R111-I114 PolarHBondContact O-N 3.28Å
112W87.3Confident87.9Confident207 Ų207103.5 Ų103.578%0.78454%0.538SS*.THydrogen-bonded Turntrans-65.1-22.2-175.565.4-95.9000115.4P115W112-P115 WeakPolarHBondContact O-CD 3.4Å
113W90.7Very high88.3Confident115 Ų115102 Ų10244%0.43654%0.542SS..THydrogen-bonded Turntrans-83.5-12.7-179.360.179.3000113.7R111 L116 A117R111-W113 VanDerWaalsContact C-N 3.29Å; R111-W113 HydrophobicContact CB-CD2 3.99Å; R111-W113 HydrophobicContact CB-CE3 4.21Å; R111-W113 HydrophobicContact CB-CH2 4.24Å; R111-W113 HydrophobicContact CB-CZ2 4.04Å; R111-W113 HydrophobicContact CB-CZ3 4.3Å; R111-W113 HydrophobicContact CG-CH2 3.94Å; R111-W113 HydrophobicContact CG-CZ2 3.86Å; R111-W113 HydrophobicContact CG-CZ3 4.38Å; R111-W113 PolarHBondContact O-N 2.9Å; W113-L116 PolarHBondContact O-N 2.88Å; W113-A117 PolarHBondContact O-N 3.33Å
114I90.8Very high88.6Confident55 Ų55103 Ų10328%0.28254%0.544SS..Hα-helixtrans-60.5-49.4-179.5-62.5168.7000111.2L109 R111 L116 A117 C118L109-I114 HydrophobicContact CD2-CB 4.2Å; L109-I114 HydrophobicContact CD2-CD1 4.21Å; L109-I114 HydrophobicContact CD2-CG2 3.78Å; R111-I114 HydrophobicContact CB-CD1 3.83Å; R111-I114 HydrophobicContact CB-CG1 4.03Å; R111-I114 PolarHBondContact O-N 3.28Å; I114-L116 PolarHBondContact O-N 3.16Å; I114-A117 PolarHBondContact O-N 3.44Å; I114-A117 VanDerWaalsContact O-N 3.13Å; I114-C118 PolarHBondContact O-N 2.87Å; I114-C118 PolarHBondContact O-SG 3.08Å
115P88.2Confident89Confident68 Ų68104.9 Ų104.944%0.44255%0.547SS..Hα-helixtrans-53.9-39.1174.6-26.433.4000113.9L109 W112 C118L109-P115 HydrophobicContact CD1-CG 3.65Å; W112-P115 WeakPolarHBondContact O-CD 3.4Å; P115-C118 PolarHBondContact O-N 3.11Å
116L90.6Very high89.3Confident116 Ų116104 Ų10461%0.60755%0.546SS*.Hα-helixtrans-70.3-40.3-179.9-168.369.6000111.4W113 I114 C118 I119W113-L116 PolarHBondContact O-N 2.88Å; I114-L116 PolarHBondContact O-N 3.16Å; L116-C118 VanDerWaalsContact C-N 3.31Å; L116-C118 PolarHBondContact O-N 2.94Å; L116-I119 HydrophobicContact CD1-CD1 3.82Å; L116-I119 WeakPolarHBondContact O-CB 3.42Å; L116-I119 WeakPolarHBondContact O-CG1 3.32Å; L116-I119 PolarHBondContact O-N 3.24Å
117A92.5Very high89.9Confident61 Ų61103.6 Ų103.650%0.50454%0.541SS..Hα-helixtrans-64.7-34.6174.900000112.3W113 I114 I119 L120 P121W113-A117 PolarHBondContact O-N 3.33Å; I114-A117 PolarHBondContact O-N 3.44Å; I114-A117 VanDerWaalsContact O-N 3.13Å; A117-I119 PolarHBondContact O-N 3.28Å; A117-L120 PolarHBondContact O-N 3.49Å; A117-P121 WeakPolarHBondContact O-CD 3.27Å
118C91.4Very high90.4Very high68 Ų68100 Ų10046%0.45952%0.522SS..Hα-helixtrans-64.6-18.1178-69.60000114.2I114 P115 L116 L120 P121 A122I114-C118 PolarHBondContact O-N 2.87Å; I114-C118 PolarHBondContact O-SG 3.08Å; P115-C118 PolarHBondContact O-N 3.11Å; L116-C118 VanDerWaalsContact C-N 3.31Å; L116-C118 PolarHBondContact O-N 2.94Å; C118-L120 VanDerWaalsContact C-N 3.28Å; C118-L120 PolarHBondContact O-N 2.87Å; C118-P121 WeakPolarHBondContact O-CD 3.33Å; C118-A122 VanDerWaalsContact O-CB 3.26Å; C118-A122 WeakPolarHBondContact O-CB 3.3Å; C118-A122 PolarHBondContact O-N 3.33Å
119I93.3Very high90.8Very high96 Ų9694.7 Ų94.749%0.49249%0.493SS..Hα-helixtrans-59.2-40.4175.9-63.2178.4000111.1L116 A117 A122 V123L116-I119 HydrophobicContact CD1-CD1 3.82Å; L116-I119 WeakPolarHBondContact O-CB 3.42Å; L116-I119 WeakPolarHBondContact O-CG1 3.32Å; L116-I119 PolarHBondContact O-N 3.24Å; A117-I119 PolarHBondContact O-N 3.28Å; I119-A122 PolarHBondContact O-N 3.11Å; I119-V123 HydrophobicContact CG2-CG2 4.41Å; I119-V123 WeakPolarHBondContact O-CG2 3.46Å; I119-V123 PolarHBondContact O-N 3.46Å
120L94.5Very high91.4Very high121 Ų12194.7 Ų94.763%0.63450%0.496SS*.Hα-helixtrans-66-52.9-177.3-179.2159.1000111.8A117 C118 A122 V123 L124A117-L120 PolarHBondContact O-N 3.49Å; C118-L120 VanDerWaalsContact C-N 3.28Å; C118-L120 PolarHBondContact O-N 2.87Å; L120-A122 VanDerWaalsContact C-N 3.29Å; L120-A122 PolarHBondContact O-N 2.78Å; L120-V123 PolarHBondContact O-N 3.19Å; L120-L124 HydrophobicContact CD2-CD1 3.95Å; L120-L124 PolarHBondContact O-N 3.32Å
121P94Very high91.8Very high55 Ų5590.9 Ų90.936%0.35748%0.48SS..Hα-helixtrans-57.2-39.3171-26.334.3000113.3A117 C118 V123 L124 F125A117-P121 WeakPolarHBondContact O-CD 3.27Å; C118-P121 WeakPolarHBondContact O-CD 3.33Å; P121-V123 PolarHBondContact O-N 2.81Å; P121-L124 WeakPolarHBondContact O-CB 3.39Å; P121-L124 PolarHBondContact O-N 3.24Å; P121-F125 HydrophobicContact CB-CD2 4.49Å; P121-F125 HydrophobicContact CB-CE2 4.39Å; P121-F125 WeakPolarHBondContact O-CD2 3.37Å; P121-F125 PolarHBondContact O-N 3.44Å
122A92.2Very high91.8Very high49 Ų4986.2 Ų86.241%0.40547%0.465SS..Hα-helixtrans-60.9-44179.400000112.1C118 I119 L120 L124 F125 V126C118-A122 VanDerWaalsContact O-CB 3.26Å; C118-A122 WeakPolarHBondContact O-CB 3.3Å; C118-A122 PolarHBondContact O-N 3.33Å; I119-A122 PolarHBondContact O-N 3.11Å; L120-A122 VanDerWaalsContact C-N 3.29Å; L120-A122 PolarHBondContact O-N 2.78Å; A122-L124 VanDerWaalsContact C-N 3.33Å; A122-L124 PolarHBondContact O-N 3.34Å; A122-F125 PolarHBondContact O-N 2.86Å; A122-V126 WeakPolarHBondContact O-CG2 3.16Å; A122-V126 PolarHBondContact O-N 2.84Å
123V94.6Very high92Very high87 Ų8776.9 Ų76.953%0.52743%0.43SS..Hα-helixtrans-61.4-42.4175.2171.40000111.2I119 L120 P121 F125 V126 V127I119-V123 HydrophobicContact CG2-CG2 4.41Å; I119-V123 WeakPolarHBondContact O-CG2 3.46Å; I119-V123 PolarHBondContact O-N 3.46Å; L120-V123 PolarHBondContact O-N 3.19Å; P121-V123 PolarHBondContact O-N 2.81Å; V123-F125 PolarHBondContact O-N 3.36Å; V123-V126 PolarHBondContact O-N 3.17Å; V123-V127 WeakPolarHBondContact O-CG2 3.49Å; V123-V127 PolarHBondContact O-N 3.32Å
124L94.7Very high92.1Very high101 Ų10177.3 Ų77.353%0.52944%0.436SS..Hα-helixtrans-62.1-42.5176.3-65.7176.1000111.9L120 P121 A122 V127 L128L120-L124 HydrophobicContact CD2-CD1 3.95Å; L120-L124 PolarHBondContact O-N 3.32Å; P121-L124 WeakPolarHBondContact O-CB 3.39Å; P121-L124 PolarHBondContact O-N 3.24Å; A122-L124 VanDerWaalsContact C-N 3.33Å; A122-L124 PolarHBondContact O-N 3.34Å; L124-V127 PolarHBondContact O-N 2.85Å; L124-L128 WeakPolarHBondContact O-CG 3.43Å; L124-L128 PolarHBondContact O-N 3.44Å
125F92.2Very high92.1Very high102 Ų10278 Ų7845%0.44744%0.443SS..Hα-helixtrans-64.7-40.6175.6-78.5-60.7000112.7P121 A122 V123 V127 L128 I129 L174P121-F125 HydrophobicContact CB-CD2 4.49Å; P121-F125 HydrophobicContact CB-CE2 4.39Å; P121-F125 WeakPolarHBondContact O-CD2 3.37Å; P121-F125 PolarHBondContact O-N 3.44Å; A122-F125 PolarHBondContact O-N 2.86Å; V123-F125 PolarHBondContact O-N 3.36Å; F125-V127 VanDerWaalsContact C-N 3.32Å; F125-V127 PolarHBondContact O-N 2.96Å; F125-L128 HydrophobicContact CD1-CD1 4.37Å; F125-L128 PolarHBondContact O-N 3.27Å; F125-I129 WeakPolarHBondContact O-CG1 3.39Å; F125-I129 PolarHBondContact O-N 3.42Å; F125-L174 HydrophobicContact CB-CD1 4.37Å; F125-L174 HydrophobicContact CD1-CD1 3.42Å; F125-L174 VanDerWaalsContact CD1-CD1 3.42Å; F125-L174 HydrophobicContact CD2-CD1 4.26Å; F125-L174 HydrophobicContact CE1-CD1 3.63Å; F125-L174 HydrophobicContact CE2-CD1 4.43Å; F125-L174 HydrophobicContact CG-CD1 3.78Å; F125-L174 HydrophobicContact CZ-CD1 4.14Å
126V92Very high92.3Very high89 Ų8975.2 Ų75.254%0.53943%0.425SS..Hα-helixtrans-60.4-44.2175.3169.80000110.7A122 V123 L128 I129 V130A122-V126 WeakPolarHBondContact O-CG2 3.16Å; A122-V126 PolarHBondContact O-N 2.84Å; V123-V126 PolarHBondContact O-N 3.17Å; V126-L128 VanDerWaalsContact C-N 3.34Å; V126-L128 PolarHBondContact O-N 3.45Å; V126-I129 PolarHBondContact O-N 2.81Å; V126-V130 HydrophobicContact CG1-CG2 4.45Å; V126-V130 WeakPolarHBondContact O-CB 3.26Å; V126-V130 WeakPolarHBondContact O-CG2 3.48Å; V126-V130 PolarHBondContact O-N 3.4Å
127V93.2Very high92.2Very high91 Ų9170.8 Ų70.855%0.55240%0.402SS*.Hα-helixtrans-61.3-43.4176.2172.30000111.1V123 L124 F125 M131V123-V127 WeakPolarHBondContact O-CG2 3.49Å; V123-V127 PolarHBondContact O-N 3.32Å; L124-V127 PolarHBondContact O-N 2.85Å; F125-V127 VanDerWaalsContact C-N 3.32Å; F125-V127 PolarHBondContact O-N 2.96Å; V127-M131 WeakPolarHBondContact O-CB 3.44Å; V127-M131 PolarHBondContact O-N 3.3Å
128L91.8Very high92.2Very high89 Ų8971.2 Ų71.247%0.46640%0.399SS..Hα-helixtrans-62.2-47.3177.6-73.2171.3000112.2L124 F125 V126 M131 D132L124-L128 WeakPolarHBondContact O-CG 3.43Å; L124-L128 PolarHBondContact O-N 3.44Å; F125-L128 HydrophobicContact CD1-CD1 4.37Å; F125-L128 PolarHBondContact O-N 3.27Å; V126-L128 VanDerWaalsContact C-N 3.34Å; V126-L128 PolarHBondContact O-N 3.45Å; L128-M131 PolarHBondContact O-N 3.05Å; L128-D132 VanDerWaalsContact O-CB 3.3Å; L128-D132 WeakPolarHBondContact O-CB 3.49Å; L128-D132 PolarHBondContact O-N 3.42Å
129I90.2Very high92.1Very high26 Ų2671 Ų7113%0.13339%0.392CS..Hα-helixtrans-62.5-46.2179.7-68.4167.1000110.4F125 V126 M131 Q133 T164F125-I129 WeakPolarHBondContact O-CG1 3.39Å; F125-I129 PolarHBondContact O-N 3.42Å; V126-I129 PolarHBondContact O-N 2.81Å; I129-M131 PolarHBondContact O-N 2.97Å; I129-Q133 WeakPolarHBondContact O-CB 3.32Å; I129-Q133 PolarHBondContact O-N 3.13Å; I129-T164 HydrophobicContact CD1-CG2 3.82Å
130V91Very high91.7Very high79 Ų7968 Ų6848%0.47938%0.376SS..Hα-helixtrans-65.3-40.2178.7171.80000111.3V126 H134V126-V130 HydrophobicContact CG1-CG2 4.45Å; V126-V130 WeakPolarHBondContact O-CB 3.26Å; V126-V130 WeakPolarHBondContact O-CG2 3.48Å; V126-V130 PolarHBondContact O-N 3.4Å; V130-H134 VanDerWaalsContact O-CB 3.24Å; V130-H134 WeakPolarHBondContact O-CB 3.21Å; V130-H134 PolarHBondContact O-N 3.24Å
131M92.2Very high91.3Very high104 Ų10464.3 Ų64.351%0.51236%0.357SS..Hα-helixtrans-64.9-49.6178.3-173.4-145.373.700111.4V127 L128 I129 Q133 H134 V135V127-M131 WeakPolarHBondContact O-CB 3.44Å; V127-M131 PolarHBondContact O-N 3.3Å; L128-M131 PolarHBondContact O-N 3.05Å; I129-M131 PolarHBondContact O-N 2.97Å; M131-Q133 VanDerWaalsContact C-N 3.34Å; M131-Q133 PolarHBondContact O-N 3.01Å; M131-H134 PolarHBondContact O-N 3.25Å; M131-V135 WeakPolarHBondContact O-CG2 3.32Å; M131-V135 PolarHBondContact O-N 2.86Å
132D91.2Very high91Very high32 Ų3267.9 Ų67.917%0.17136%0.363CS..Hα-helixtrans-63.2-42-179.7-172.457.1000111.5L128 H134 V135 T136 S177L128-D132 VanDerWaalsContact O-CB 3.3Å; L128-D132 WeakPolarHBondContact O-CB 3.49Å; L128-D132 PolarHBondContact O-N 3.42Å; D132-H134 PolarHBondContact O-N 2.88Å; D132-V135 PolarHBondContact O-N 3.07Å; D132-T136 WeakPolarHBondContact O-CB 3.41Å; D132-T136 PolarHBondContact O-N 3.49Å; D132-T136 PolarHBondContact O-OG1 2.86Å; D132-S177 WeakPolarHBondContact OD2-CA 3.3Å; D132-S177 VanDerWaalsContact OD2-CB 3.3Å; D132-S177 WeakPolarHBondContact OD2-CB 3.47Å; D132-S177 PolarHBondContact OD2-N 3.1Å; D132-S177 VanDerWaalsContact OD2-O 3.13Å
133Q91.2Very high90.6Very high11 Ų1175.1 Ų75.15%0.05139%0.386CS..Hα-helixtrans-61.4-43.9172.8-177.955.319.100111.9I129 M131 T136 T137 D156 S177I129-Q133 WeakPolarHBondContact O-CB 3.32Å; I129-Q133 PolarHBondContact O-N 3.13Å; M131-Q133 VanDerWaalsContact C-N 3.34Å; M131-Q133 PolarHBondContact O-N 3.01Å; Q133-T136 PolarHBondContact O-N 2.88Å; Q133-T137 VanDerWaalsContact O-CG2 3.28Å; Q133-T137 WeakPolarHBondContact O-CG2 3.33Å; Q133-T137 PolarHBondContact O-N 2.87Å; Q133-T137 PolarHBondContact O-OG1 3.41Å; Q133-D156 PolarHBondContact NE2-OD2 3.39Å; Q133-S177 PolarHBondContact OE1-OG 3.42Å
134H91.6Very high90Very high123 Ų12376.3 Ų76.357%0.56939%0.386SS*.Hα-helixtrans-63.3-44.9177.3-174.3-166000111.7V130 M131 D132 T136 T137 V138V130-H134 VanDerWaalsContact O-CB 3.24Å; V130-H134 WeakPolarHBondContact O-CB 3.21Å; V130-H134 PolarHBondContact O-N 3.24Å; M131-H134 PolarHBondContact O-N 3.25Å; D132-H134 PolarHBondContact O-N 2.88Å; H134-T136 VanDerWaalsContact C-N 3.33Å; H134-T136 PolarHBondContact O-N 3.5Å; H134-T137 PolarHBondContact O-N 3.06Å; H134-T137 PolarHBondContact O-OG1 3.37Å; H134-V138 WeakPolarHBondContact O-CB 3.42Å; H134-V138 VanDerWaalsContact O-CG2 3.29Å; H134-V138 WeakPolarHBondContact O-CG2 3.32Å; H134-V138 PolarHBondContact O-N 3.07Å
135V92.5Very high89.3Confident70 Ų7071.9 Ų71.942%0.42436%0.362SS..Hα-helixtrans-60.8-44.4175.9174.10000110.7M131 D132 T137 V138 M139M131-V135 WeakPolarHBondContact O-CG2 3.32Å; M131-V135 PolarHBondContact O-N 2.86Å; D132-V135 PolarHBondContact O-N 3.07Å; V135-T137 PolarHBondContact O-N 3.08Å; V135-V138 PolarHBondContact O-N 3.49Å; V135-M139 HydrophobicContact CG1-CG 4.32Å; V135-M139 WeakPolarHBondContact O-CB 3.42Å; V135-M139 VanDerWaalsContact O-CG 3.26Å; V135-M139 WeakPolarHBondContact O-CG 3.41Å; V135-M139 PolarHBondContact O-N 2.89Å
136T91.1Very high88.6Confident9 Ų973.3 Ų73.36%0.05537%0.368CS..Hα-helixtrans-59-49.8177.8-56.70000111.3D132 Q133 H134 V138 M139 M140 T179D132-T136 WeakPolarHBondContact O-CB 3.41Å; D132-T136 PolarHBondContact O-N 3.49Å; D132-T136 PolarHBondContact O-OG1 2.86Å; Q133-T136 PolarHBondContact O-N 2.88Å; H134-T136 VanDerWaalsContact C-N 3.33Å; H134-T136 PolarHBondContact O-N 3.5Å; T136-V138 PolarHBondContact O-N 3.47Å; T136-M139 PolarHBondContact O-N 2.78Å; T136-M140 WeakPolarHBondContact O-CG 3.43Å; T136-M140 PolarHBondContact O-N 3.33Å; T136-T179 WeakPolarHBondContact OG1-CG2 3.12Å
137T89.7Confident87.9Confident23 Ų2371.9 Ų71.914%0.14136%0.357CS..Hα-helixtrans-63.6-38.6179.958.60000113.2Q133 H134 V135 M140 N141 Y153Q133-T137 VanDerWaalsContact O-CG2 3.28Å; Q133-T137 WeakPolarHBondContact O-CG2 3.33Å; Q133-T137 PolarHBondContact O-N 2.87Å; Q133-T137 PolarHBondContact O-OG1 3.41Å; H134-T137 PolarHBondContact O-N 3.06Å; H134-T137 PolarHBondContact O-OG1 3.37Å; V135-T137 PolarHBondContact O-N 3.08Å; T137-M140 PolarHBondContact O-N 2.83Å; T137-N141 WeakPolarHBondContact O-CB 3.47Å; T137-N141 PolarHBondContact O-N 3.02Å; T137-Y153 HydrophobicContact CG2-CD1 3.53Å; T137-Y153 HydrophobicContact CG2-CE1 3.89Å
138V91Very high87.1Confident71 Ų7179 Ų7943%0.4337%0.374SS..Hα-helixtrans-66.4-40.4176.2169.40000111H134 V135 T136 N141H134-V138 WeakPolarHBondContact O-CB 3.42Å; H134-V138 VanDerWaalsContact O-CG2 3.29Å; H134-V138 WeakPolarHBondContact O-CG2 3.32Å; H134-V138 PolarHBondContact O-N 3.07Å; V135-V138 PolarHBondContact O-N 3.49Å; T136-V138 PolarHBondContact O-N 3.47Å; V138-N141 PolarHBondContact O-N 3.3Å
139M89.3Confident86.3Confident64 Ų6483.2 Ų83.232%0.31539%0.389SS..Hα-helixtrans-68.2-36.9176.6-71.7-59.5-67.900112.4V135 T136 R142 L183V135-M139 HydrophobicContact CG1-CG 4.32Å; V135-M139 WeakPolarHBondContact O-CB 3.42Å; V135-M139 VanDerWaalsContact O-CG 3.26Å; V135-M139 WeakPolarHBondContact O-CG 3.41Å; V135-M139 PolarHBondContact O-N 2.89Å; T136-M139 PolarHBondContact O-N 2.78Å; M139-R142 WeakPolarHBondContact O-CG 3.31Å; M139-R142 PolarHBondContact SD-NH2 3.25Å; M139-L183 HydrophobicContact CE-CD1 4.49Å
140M86.1Confident85.8Confident31 Ų3184.1 Ų84.115%0.15340%0.404CS..Hα-helixtrans-66.5-40.6173.2-69.6-55.5122.800112T136 T137 R142 N145 L147 S182 L183 M186T136-M140 WeakPolarHBondContact O-CG 3.43Å; T136-M140 PolarHBondContact O-N 3.33Å; T137-M140 PolarHBondContact O-N 2.83Å; M140-R142 PolarHBondContact O-N 2.91Å; M140-N145 PolarHBondContact O-ND2 3.45Å; M140-L147 WeakPolarHBondContact O-CD1 3.46Å; M140-S182 VanDerWaalsContact CE-OG 3.32Å; M140-S182 WeakPolarHBondContact CE-OG 3.48Å; M140-L183 HydrophobicContact CE-CB 4.23Å; M140-L183 HydrophobicContact CE-CD2 3.38Å; M140-L183 HydrophobicContact CE-CG 3.51Å; M140-L183 HydrophobicContact SD-CD2 4.46Å; M140-M186 HydrophobicContact SD-CB 4.15Å; M140-M186 HydrophobicContact SD-CG 4.41Å
141N86.7Confident85.5Confident45 Ų4589 Ų8924%0.24142%0.42CS..THydrogen-bonded Turntrans-87.127.8-175.4-156.418000114.3T137 V138 K143 Y153T137-N141 WeakPolarHBondContact O-CB 3.47Å; T137-N141 PolarHBondContact O-N 3.02Å; V138-N141 PolarHBondContact O-N 3.3Å; N141-K143 PolarHBondContact O-N 3.34Å; N141-Y153 VanDerWaalsContact CB-OH 3.31Å; N141-Y153 WeakPolarHBondContact CB-OH 3.48Å; N141-Y153 PolarHBondContact ND2-OH 3.49Å
142R86.6Confident85.1Confident130 Ų13086.4 Ų86.449%0.49142%0.419SS..  trans-58140.9171.7-70.8-73.8-178.2175.50.7109.2M139 M140 E144 N145M139-R142 WeakPolarHBondContact O-CG 3.31Å; M139-R142 PolarHBondContact SD-NH2 3.25Å; M140-R142 PolarHBondContact O-N 2.91Å; R142-E144 PolarHBondContact O-N 2.77Å; R142-N145 PolarHBondContact O-N 2.8Å
143K83.9Confident84.8Confident201 Ų20188.2 Ų88.287%0.87442%0.424SS*.G310 helixtrans-52.9-28.4-179.6-66.1-176.7-179.81800112.7N141 N145 K146N141-K143 PolarHBondContact O-N 3.34Å; K143-N145 VanDerWaalsContact C-N 3.29Å; K143-N145 PolarHBondContact O-N 2.9Å; K143-K146 PolarHBondContact O-N 3.14Å
144E82.2Confident84.8Confident112 Ų11294.2 Ų94.252%0.52345%0.452SS..G310 helixtrans-62.3-32176.7-57.8-177.816500113.5R142 K146 R201 F204R142-E144 PolarHBondContact O-N 2.77Å; E144-K146 VanDerWaalsContact C-N 3.34Å; E144-R201 IonicContact OE1-NH1 3.85Å; E144-F204 WeakPolarHBondContact O-CB 3.34Å; E144-F204 WeakPolarHBondContact O-CG 3.35Å
145N79.3Confident84.8Confident7 Ų793.6 Ų93.64%0.03745%0.452CS..G310 helixtrans-86.7-4.8-178.6-61.5-22.4000112.8M140 R142 K143 L147 R190 F204M140-N145 PolarHBondContact O-ND2 3.45Å; R142-N145 PolarHBondContact O-N 2.8Å; K143-N145 VanDerWaalsContact C-N 3.29Å; K143-N145 PolarHBondContact O-N 2.9Å; N145-L147 HydrophobicContact CB-CD1 4.33Å; N145-L147 HydrophobicContact CB-CG 3.98Å; N145-L147 WeakPolarHBondContact O-CD2 3.43Å; N145-L147 WeakPolarHBondContact O-CG 3.29Å; N145-L147 PolarHBondContact O-N 2.94Å; N145-R190 PolarHBondContact OD1-NH1 3.23Å; N145-F204 VanDerWaalsContact C-CE1 3.43Å; N145-F204 WeakPolarHBondContact O-CE1 3.31Å; N145-F204 WeakPolarHBondContact O-CZ 3.18Å
146K78.4Confident84.6Confident133 Ų13393.2 Ų93.258%0.57845%0.447SS*.  trans43.135.1176.2-57.9-179.8-173.7163.20114.6K143 E144 F204K143-K146 PolarHBondContact O-N 3.14Å; E144-K146 VanDerWaalsContact C-N 3.34Å; K146-F204 HydrophobicContact CB-CD1 4.14Å; K146-F204 HydrophobicContact CB-CE1 4.19Å; K146-F204 HydrophobicContact CD-CD1 4.19Å; K146-F204 HydrophobicContact CG-CD1 4.17Å; K146-F204 PolarHBondContact NZ-O 3.33Å; K146-F204 VanDerWaalsContact NZ-O 3.09Å
147L77.8Confident84.5Confident58 Ų5896.9 Ų96.930%0.30447%0.466SS..  trans-74.4137.6-178.1-60.4179.6000110.4M140 N145 L207M140-L147 WeakPolarHBondContact O-CD1 3.46Å; N145-L147 HydrophobicContact CB-CD1 4.33Å; N145-L147 HydrophobicContact CB-CG 3.98Å; N145-L147 WeakPolarHBondContact O-CD2 3.43Å; N145-L147 WeakPolarHBondContact O-CG 3.29Å; N145-L147 PolarHBondContact O-N 2.94Å; L147-L207 HydrophobicContact CD2-CD1 3.56Å; L147-L207 HydrophobicContact CD2-CG 4.2Å
148R75.6Confident84.7Confident240 Ų240100.9 Ų100.991%0.90649%0.486SS*.  trans-78.7130.9172.4-66-172.9-179.8-156.70.8108.8G150R148-G150 PolarHBondContact O-N 3.3Å
149K74.2Confident84.7Confident179 Ų179100.8 Ų100.878%0.77849%0.486SS*.  trans-66.1103.6172.9-65.1-176.9-179.9-176.40108.6Y153K149-Y153 HydrophobicContact CB-CE2 4.5Å; K149-Y153 HydrophobicContact CG-CE2 4.48Å
150G79.6Confident84.8Confident44 Ų4497.9 Ų97.945%0.45447%0.471SS..  trans-114.2-169.8175.200000112.1R148 G152R148-G150 PolarHBondContact O-N 3.3Å; G150-G152 PolarHBondContact O-N 3.26Å; G150-G152 VanDerWaalsContact O-N 3.13Å
151F85.6Confident85Confident183 Ų18398.7 Ų98.780%0.80348%0.483SS*.THydrogen-bonded Turntrans-68.1-4.3176.4-61.2-79.2000114.4Y153 H154 L155F151-Y153 VanDerWaalsContact C-N 3.26Å; F151-Y153 PolarHBondContact O-N 3.35Å; F151-H154 PolarHBondContact O-N 3.11Å; F151-H154 VanDerWaalsContact O-N 3.12Å; F151-L155 PolarHBondContact O-N 3.06Å; F151-L155 VanDerWaalsContact O-N 3.16Å
152G84.6Confident85.4Confident48 Ų48100 Ų10050%0.49549%0.493SS..Hα-helixtrans-55.9-36.4-177.300000113.6G150 H154 L155 D156G150-G152 PolarHBondContact O-N 3.26Å; G150-G152 VanDerWaalsContact O-N 3.13Å; G152-H154 PolarHBondContact O-N 3.06Å; G152-L155 PolarHBondContact O-N 3.28Å; G152-D156 VanDerWaalsContact O-CB 3.29Å; G152-D156 WeakPolarHBondContact O-CB 3.4Å; G152-D156 PolarHBondContact O-N 3.3Å
153Y84.9Confident85.7Confident71 Ų7197 Ų9728%0.27849%0.486SS..Hα-helixtrans-66.3-36.3178.9-59.6-66.2000113.5T137 N141 K149 F151 L157T137-Y153 HydrophobicContact CG2-CD1 3.53Å; T137-Y153 HydrophobicContact CG2-CE1 3.89Å; N141-Y153 VanDerWaalsContact CB-OH 3.31Å; N141-Y153 WeakPolarHBondContact CB-OH 3.48Å; N141-Y153 PolarHBondContact ND2-OH 3.49Å; K149-Y153 HydrophobicContact CB-CE2 4.5Å; K149-Y153 HydrophobicContact CG-CE2 4.48Å; F151-Y153 VanDerWaalsContact C-N 3.26Å; F151-Y153 PolarHBondContact O-N 3.35Å; Y153-L157 PolarHBondContact O-N 3.45Å; Y153-L157 VanDerWaalsContact O-N 3.09Å
154H90.1Very high86Confident137 Ų13788.9 Ų88.963%0.63445%0.453SS*.Hα-helixtrans-72.4-40.8177.4-62.1-64.1000110.9F151 G152 D156 L157 L158F151-H154 PolarHBondContact O-N 3.11Å; F151-H154 VanDerWaalsContact O-N 3.12Å; G152-H154 PolarHBondContact O-N 3.06Å; H154-D156 VanDerWaalsContact C-N 3.31Å; H154-L157 PolarHBondContact O-N 3.14Å; H154-L158 WeakPolarHBondContact O-CB 3.49Å; H154-L158 PolarHBondContact O-N 2.84Å
155L90.9Very high86.4Confident110 Ų11088.8 Ų88.858%0.57646%0.455SS*.Hα-helixtrans-61.2-42.5174-177.367.3000111F151 G152 L158 V159F151-L155 PolarHBondContact O-N 3.06Å; F151-L155 VanDerWaalsContact O-N 3.16Å; G152-L155 PolarHBondContact O-N 3.28Å; L155-L158 WeakPolarHBondContact O-CB 3.49Å; L155-L158 PolarHBondContact O-N 3.44Å; L155-V159 HydrophobicContact CD1-CG2 4.45Å; L155-V159 HydrophobicContact CG-CG2 4.43Å; L155-V159 VanDerWaalsContact O-CG2 3.27Å; L155-V159 WeakPolarHBondContact O-CG2 3.27Å; L155-V159 PolarHBondContact O-N 3.48Å
156D89.9Confident87.1Confident61 Ų6192.4 Ų92.433%0.32647%0.474SS..Hα-helixtrans-62.9-46.2178.9-164.916000111.8Q133 G152 H154 L158 V159 C160Q133-D156 PolarHBondContact NE2-OD2 3.39Å; G152-D156 VanDerWaalsContact O-CB 3.29Å; G152-D156 WeakPolarHBondContact O-CB 3.4Å; G152-D156 PolarHBondContact O-N 3.3Å; H154-D156 VanDerWaalsContact C-N 3.31Å; D156-L158 VanDerWaalsContact C-N 3.32Å; D156-L158 PolarHBondContact O-N 3.03Å; D156-V159 PolarHBondContact O-N 3.48Å; D156-C160 WeakPolarHBondContact O-CB 3.39Å; D156-C160 PolarHBondContact O-N 3.21Å; D156-C160 PolarHBondContact O-SG 2.9Å
157L89.2Confident87.7Confident87 Ų8786.6 Ų86.646%0.45545%0.45SS..Hα-helixtrans-61-40.1174.4-174.766.3000112.2Y153 H154 A161Y153-L157 PolarHBondContact O-N 3.45Å; Y153-L157 VanDerWaalsContact O-N 3.09Å; H154-L157 PolarHBondContact O-N 3.14Å; L157-A161 WeakPolarHBondContact O-CB 3.39Å; L157-A161 PolarHBondContact O-N 3.16Å
158L92Very high88.2Confident107 Ų10786 Ų8656%0.5646%0.458SS*.Hα-helixtrans-64.6-45.3176.4-179.966.3000111.5H154 L155 D156 A161 V162H154-L158 WeakPolarHBondContact O-CB 3.49Å; H154-L158 PolarHBondContact O-N 2.84Å; L155-L158 WeakPolarHBondContact O-CB 3.49Å; L155-L158 PolarHBondContact O-N 3.44Å; D156-L158 VanDerWaalsContact C-N 3.32Å; D156-L158 PolarHBondContact O-N 3.03Å; L158-A161 PolarHBondContact O-N 2.85Å; L158-V162 WeakPolarHBondContact O-CG2 3.45Å; L158-V162 PolarHBondContact O-N 2.85Å
159V92Very high88.9Confident69 Ų6978.9 Ų78.942%0.41844%0.437SS..Hα-helixtrans-63.4-45.4177.81710000110.6L155 D156 A161 V162 L163L155-V159 HydrophobicContact CD1-CG2 4.45Å; L155-V159 HydrophobicContact CG-CG2 4.43Å; L155-V159 VanDerWaalsContact O-CG2 3.27Å; L155-V159 WeakPolarHBondContact O-CG2 3.27Å; L155-V159 PolarHBondContact O-N 3.48Å; D156-V159 PolarHBondContact O-N 3.48Å; V159-A161 VanDerWaalsContact C-N 3.33Å; V159-A161 PolarHBondContact O-N 3.42Å; V159-V162 PolarHBondContact O-N 3.38Å; V159-L163 HydrophobicContact CG1-CD1 3.88Å; V159-L163 HydrophobicContact CG1-CG 4.31Å; V159-L163 WeakPolarHBondContact O-CB 3.4Å; V159-L163 WeakPolarHBondContact O-CG 3.09Å; V159-L163 PolarHBondContact O-N 3.09Å
160C90.8Very high89.7Confident2 Ų272.7 Ų72.71%0.01441%0.412CS..Hα-helixtrans-56-48174.1-69.30000110.9D156 V162 L163 T164D156-C160 WeakPolarHBondContact O-CB 3.39Å; D156-C160 PolarHBondContact O-N 3.21Å; D156-C160 PolarHBondContact O-SG 2.9Å; C160-V162 PolarHBondContact O-N 3.14Å; C160-L163 PolarHBondContact O-N 3.12Å; C160-T164 WeakPolarHBondContact O-CB 3.46Å; C160-T164 PolarHBondContact O-N 3.14Å; C160-T164 PolarHBondContact O-OG1 3.47Å
161A91.3Very high90Very high48 Ų4872.9 Ų72.940%0.39741%0.409SS..Hα-helixtrans-60.4-44.3178.800000112.7L157 L158 V159 T164 I165L157-A161 WeakPolarHBondContact O-CB 3.39Å; L157-A161 PolarHBondContact O-N 3.16Å; L158-A161 PolarHBondContact O-N 2.85Å; V159-A161 VanDerWaalsContact C-N 3.33Å; V159-A161 PolarHBondContact O-N 3.42Å; A161-T164 PolarHBondContact O-N 3.4Å; A161-I165 WeakPolarHBondContact O-CG1 3.46Å; A161-I165 PolarHBondContact O-N 3.07Å
162V94Very high90.1Very high73 Ų7367.5 Ų67.544%0.44239%0.388SS..Hα-helixtrans-63-44.8176.5171.60000111.2L158 V159 C160 T164 I165 I166L158-V162 WeakPolarHBondContact O-CG2 3.45Å; L158-V162 PolarHBondContact O-N 2.85Å; V159-V162 PolarHBondContact O-N 3.38Å; C160-V162 PolarHBondContact O-N 3.14Å; V162-T164 PolarHBondContact O-N 3.42Å; V162-I165 PolarHBondContact O-N 2.86Å; V162-I166 HydrophobicContact CG1-CD1 3.91Å; V162-I166 WeakPolarHBondContact O-CG1 3.34Å; V162-I166 PolarHBondContact O-N 3.28Å
163L92.5Very high90.2Very high66 Ų6670.8 Ų70.835%0.34640%0.4SS..Hα-helixtrans-64.8-38.3177.3-70.6175.1000112.1V159 C160 I166 S167 F175V159-L163 HydrophobicContact CG1-CD1 3.88Å; V159-L163 HydrophobicContact CG1-CG 4.31Å; V159-L163 WeakPolarHBondContact O-CB 3.4Å; V159-L163 WeakPolarHBondContact O-CG 3.09Å; V159-L163 PolarHBondContact O-N 3.09Å; C160-L163 PolarHBondContact O-N 3.12Å; L163-I166 PolarHBondContact O-N 3.06Å; L163-S167 WeakPolarHBondContact O-CB 3.21Å; L163-S167 PolarHBondContact O-N 2.87Å; L163-S167 PolarHBondContact O-OG 3.12Å; L163-F175 HydrophobicContact CB-CB 4.28Å; L163-F175 HydrophobicContact CB-CG 4.27Å; L163-F175 HydrophobicContact CD1-CD1 4.49Å; L163-F175 HydrophobicContact CD1-CD2 3.98Å; L163-F175 HydrophobicContact CD1-CE1 4.46Å; L163-F175 HydrophobicContact CD1-CE2 3.93Å; L163-F175 HydrophobicContact CD1-CG 4.26Å; L163-F175 HydrophobicContact CD1-CZ 4.18Å
164T91.1Very high90.3Very high32 Ų3270.1 Ų70.120%0.19640%0.401CS..Hα-helixtrans-60.6-44.9174.1-55.90000110.9I129 C160 A161 V162 S167 G168 L174I129-T164 HydrophobicContact CD1-CG2 3.82Å; C160-T164 WeakPolarHBondContact O-CB 3.46Å; C160-T164 PolarHBondContact O-N 3.14Å; C160-T164 PolarHBondContact O-OG1 3.47Å; A161-T164 PolarHBondContact O-N 3.4Å; V162-T164 PolarHBondContact O-N 3.42Å; T164-S167 WeakPolarHBondContact CA-OG 3.48Å; T164-S167 PolarHBondContact O-N 3.13Å; T164-S167 PolarHBondContact O-OG 3.22Å; T164-G168 PolarHBondContact O-N 3.09Å; T164-L174 HydrophobicContact CG2-CD2 4.36Å
165I91.8Very high90.1Very high110 Ų11067.4 Ų67.456%0.56439%0.388SS*.Hα-helixtrans-60.4-48.1176.7-67.5165.1000110.9A161 V162 S167 G168 I169A161-I165 WeakPolarHBondContact O-CG1 3.46Å; A161-I165 PolarHBondContact O-N 3.07Å; V162-I165 PolarHBondContact O-N 2.86Å; I165-S167 PolarHBondContact O-N 3.16Å; I165-G168 PolarHBondContact O-N 2.86Å; I165-I169 HydrophobicContact CG2-CD1 4.06Å; I165-I169 WeakPolarHBondContact O-CG1 3.47Å; I165-I169 PolarHBondContact O-N 3.11Å
166I92.8Very high89.8Confident82 Ų8267.6 Ų67.642%0.42139%0.389SS..Hα-helixtrans-61.7-45.8179-66166.9000110.9V162 L163 G168 I169 L170V162-I166 HydrophobicContact CG1-CD1 3.91Å; V162-I166 WeakPolarHBondContact O-CG1 3.34Å; V162-I166 PolarHBondContact O-N 3.28Å; L163-I166 PolarHBondContact O-N 3.06Å; I166-G168 VanDerWaalsContact C-N 3.26Å; I166-G168 PolarHBondContact O-N 3.27Å; I166-I169 PolarHBondContact O-N 3.45Å; I166-L170 HydrophobicContact CG2-CD1 3.88Å; I166-L170 WeakPolarHBondContact O-CG 3.29Å; I166-L170 PolarHBondContact O-N 2.82Å
167S90.5Very high89.5Confident12 Ų1265.4 Ų65.48%0.08438%0.379CS..Hα-helixtrans-62.8-33.8177.668.50000112.4L163 T164 I165 A171 I172L163-S167 WeakPolarHBondContact O-CB 3.21Å; L163-S167 PolarHBondContact O-N 2.87Å; L163-S167 PolarHBondContact O-OG 3.12Å; T164-S167 WeakPolarHBondContact CA-OG 3.48Å; T164-S167 PolarHBondContact O-N 3.13Å; T164-S167 PolarHBondContact O-OG 3.22Å; I165-S167 PolarHBondContact O-N 3.16Å; S167-A171 VanDerWaalsContact O-CA 3.3Å; S167-A171 WeakPolarHBondContact O-CA 3.21Å; S167-A171 PolarHBondContact O-N 3.23Å; S167-I172 PolarHBondContact O-N 3.46Å; S167-I172 VanDerWaalsContact O-N 3.07Å
168G89.7Confident89.5Confident45 Ų4563.9 Ų63.946%0.46438%0.378SS..Hα-helixtrans-66.2-45.7174.900000112.7T164 I165 I166 L170 A171T164-G168 PolarHBondContact O-N 3.09Å; I165-G168 PolarHBondContact O-N 2.86Å; I166-G168 VanDerWaalsContact C-N 3.26Å; I166-G168 PolarHBondContact O-N 3.27Å; G168-L170 VanDerWaalsContact C-N 3.34Å; G168-L170 PolarHBondContact O-N 2.99Å; G168-A171 PolarHBondContact O-N 3.2Å
169I90.4Very high89.4Confident91 Ų9160.9 Ų60.947%0.46737%0.365SS..Hα-helixtrans-64.7-39178-64.9167.7000111.4V103 V104 I165 I166 A171V103-I169 HydrophobicContact CG1-CG2 4.1Å; V104-I169 PolarHBondContact N-O 3.33Å; I165-I169 HydrophobicContact CG2-CD1 4.06Å; I165-I169 WeakPolarHBondContact O-CG1 3.47Å; I165-I169 PolarHBondContact O-N 3.11Å; I166-I169 PolarHBondContact O-N 3.45Å; I169-A171 VanDerWaalsContact C-N 3.31Å
170L89.7Confident89.3Confident49 Ų4963.9 Ų63.926%0.25738%0.377SS..Hα-helixtrans-83.3-8.1179-62173.1000113.4R100 W102 I166 G168 I172R100-L170 PolarHBondContact NH1-O 3.05Å; R100-L170 PolarHBondContact NH2-O 3.12Å; W102-L170 HydrophobicContact CB-CD2 4.45Å; W102-L170 CarbonylContact O-C 3.55Å; W102-L170 VanDerWaalsContact O-CA 3.3Å; W102-L170 WeakPolarHBondContact O-CA 3.37Å; I166-L170 HydrophobicContact CG2-CD1 3.88Å; I166-L170 WeakPolarHBondContact O-CG 3.29Å; I166-L170 PolarHBondContact O-N 2.82Å; G168-L170 VanDerWaalsContact C-N 3.34Å; G168-L170 PolarHBondContact O-N 2.99Å; L170-I172 HydrophobicContact CB-CB 4.5Å; L170-I172 HydrophobicContact CB-CD1 3.6Å; L170-I172 HydrophobicContact CB-CG1 3.71Å; L170-I172 HydrophobicContact CD1-CD1 3.74Å; L170-I172 HydrophobicContact CG-CD1 4.3Å; L170-I172 PolarHBondContact O-N 3.16Å; L170-I172 VanDerWaalsContact O-N 3.17Å
171A86.7Confident89.3Confident47 Ų4768.3 Ų68.339%0.38840%0.4SS..THydrogen-bonded Turntrans4343.2-168.200000113.4R100 V104 S167 G168 I169R100-A171 PolarHBondContact NH2-O 3.48Å; V104-A171 HydrophobicContact CB-CB 4.41Å; V104-A171 HydrophobicContact CG2-CB 3.35Å; S167-A171 VanDerWaalsContact O-CA 3.3Å; S167-A171 WeakPolarHBondContact O-CA 3.21Å; S167-A171 PolarHBondContact O-N 3.23Å; G168-A171 PolarHBondContact O-N 3.2Å; I169-A171 VanDerWaalsContact C-N 3.31Å
172I87.5Confident89.2Confident70 Ų7067.6 Ų67.636%0.35939%0.392SS..  trans-86.8153.8169.6-63.3172.1000106.7W102 S167 L170 L174W102-I172 HydrophobicContact CE3-CD1 4.27Å; W102-I172 HydrophobicContact CE3-CG1 4.49Å; W102-I172 HydrophobicContact CZ3-CD1 3.9Å; W102-I172 HydrophobicContact CZ3-CG1 4.14Å; S167-I172 PolarHBondContact O-N 3.46Å; S167-I172 VanDerWaalsContact O-N 3.07Å; L170-I172 HydrophobicContact CB-CB 4.5Å; L170-I172 HydrophobicContact CB-CD1 3.6Å; L170-I172 HydrophobicContact CB-CG1 3.71Å; L170-I172 HydrophobicContact CD1-CD1 3.74Å; L170-I172 HydrophobicContact CG-CD1 4.3Å; L170-I172 PolarHBondContact O-N 3.16Å; L170-I172 VanDerWaalsContact O-N 3.17Å; I172-L174 PolarHBondContact O-N 3.35Å
173P87.3Confident89Confident117 Ų11766.9 Ų66.976%0.7639%0.385SS*.  trans-43133.1173.5-32.836.4000112.7F175P173-F175 PolarHBondContact O-N 3.47Å
174L86.7Confident88.9Confident58 Ų5867 Ų6730%0.30439%0.389SS..  trans-58.2139.2-178-65.6174.2000110.2F125 T164 I172 L176F125-L174 HydrophobicContact CB-CD1 4.37Å; F125-L174 HydrophobicContact CD1-CD1 3.42Å; F125-L174 VanDerWaalsContact CD1-CD1 3.42Å; F125-L174 HydrophobicContact CD2-CD1 4.26Å; F125-L174 HydrophobicContact CE1-CD1 3.63Å; F125-L174 HydrophobicContact CE2-CD1 4.43Å; F125-L174 HydrophobicContact CG-CD1 3.78Å; F125-L174 HydrophobicContact CZ-CD1 4.14Å; T164-L174 HydrophobicContact CG2-CD2 4.36Å; I172-L174 PolarHBondContact O-N 3.35Å; L174-L176 PolarHBondContact O-N 2.98Å; L174-L176 VanDerWaalsContact O-N 3.17Å
175F84.9Confident88.8Confident80 Ų8070.3 Ų70.335%0.35140%0.402SS..  trans-62117.6173.3-178.5-94.1000110.1L163 P173L163-F175 HydrophobicContact CB-CB 4.28Å; L163-F175 HydrophobicContact CB-CG 4.27Å; L163-F175 HydrophobicContact CD1-CD1 4.49Å; L163-F175 HydrophobicContact CD1-CD2 3.98Å; L163-F175 HydrophobicContact CD1-CE1 4.46Å; L163-F175 HydrophobicContact CD1-CE2 3.93Å; L163-F175 HydrophobicContact CD1-CG 4.26Å; L163-F175 HydrophobicContact CD1-CZ 4.18Å; P173-F175 PolarHBondContact O-N 3.47Å
176L85.9Confident88.5Confident113 Ų11366.2 Ų66.259%0.59238%0.381SS*.  trans-112.2140171.4-70.5155.2000107.7L174 A178L174-L176 PolarHBondContact O-N 2.98Å; L174-L176 VanDerWaalsContact O-N 3.17Å; L176-A178 PolarHBondContact O-N 3.35Å
177S83.5Confident88.3Confident16 Ų1668 Ų6811%0.11239%0.387CS..  trans-71.1116.7-177.7-71.40000109.5D132 Q133 T179D132-S177 WeakPolarHBondContact OD2-CA 3.3Å; D132-S177 VanDerWaalsContact OD2-CB 3.3Å; D132-S177 WeakPolarHBondContact OD2-CB 3.47Å; D132-S177 PolarHBondContact OD2-N 3.1Å; D132-S177 VanDerWaalsContact OD2-O 3.13Å; Q133-S177 PolarHBondContact OE1-OG 3.42Å; S177-T179 PolarHBondContact O-N 3.12Å
178A87.9Confident88.1Confident55 Ų5573.2 Ų73.246%0.45541%0.413SS..  trans-73.986.2-17900000111L176 I180 L181 S182L176-A178 PolarHBondContact O-N 3.35Å; A178-I180 PolarHBondContact O-N 2.96Å; A178-L181 HydrophobicContact CB-CB 3.71Å; A178-L181 HydrophobicContact CB-CD2 4.28Å; A178-L181 PolarHBondContact O-N 3.32Å; A178-S182 WeakPolarHBondContact O-CB 3.38Å; A178-S182 PolarHBondContact O-N 2.85Å; A178-S182 PolarHBondContact O-OG 2.91Å
179T90.1Very high87.9Confident44 Ų4472.2 Ų72.227%0.2740%0.397SS..Hα-helixtrans-54.8-46.8-179.550.80000113.1T136 S177 S182 L183T136-T179 WeakPolarHBondContact OG1-CG2 3.12Å; S177-T179 PolarHBondContact O-N 3.12Å; T179-S182 WeakPolarHBondContact CA-OG 3.43Å; T179-S182 PolarHBondContact O-OG 3.17Å; T179-L183 VanDerWaalsContact O-CG 3.29Å; T179-L183 WeakPolarHBondContact O-CG 3.45Å; T179-L183 PolarHBondContact O-N 2.86Å; T179-L183 VanDerWaalsContact O-N 3.09Å
180I90.4Very high87.7Confident131 Ų13170.7 Ų70.767%0.67239%0.386SS*.Hα-helixtrans-69.1-42.1-178.3-59.8168000110.6A178 L183 T184A178-I180 PolarHBondContact O-N 2.96Å; I180-L183 PolarHBondContact O-N 2.63Å; I180-T184 PolarHBondContact O-N 3.14Å; I180-T184 PolarHBondContact O-OG1 3.5Å
181L89.9Confident87.4Confident95 Ų9573 Ų7350%0.49740%0.396SS..Hα-helixtrans-67.5-43.6-179.7-176.159.6000111.4A178 L183 T184 H185A178-L181 HydrophobicContact CB-CB 3.71Å; A178-L181 HydrophobicContact CB-CD2 4.28Å; A178-L181 PolarHBondContact O-N 3.32Å; L181-L183 VanDerWaalsContact C-N 3.29Å; L181-L183 PolarHBondContact O-N 2.97Å; L181-T184 PolarHBondContact O-N 3.45Å; L181-H185 VanDerWaalsContact CD1-NE2 3.3Å; L181-H185 WeakPolarHBondContact CD1-NE2 3.49Å; L181-H185 WeakPolarHBondContact CG-NE2 3.27Å; L181-H185 PolarHBondContact O-CD2 3.47Å; L181-H185 PolarHBondContact O-N 3.3Å
182S89.1Confident87.3Confident33 Ų3374.8 Ų74.823%0.23140%0.397CS..Hα-helixtrans-61.3-37.6175.4530000112M140 A178 T179 M186M140-S182 VanDerWaalsContact CE-OG 3.32Å; M140-S182 WeakPolarHBondContact CE-OG 3.48Å; A178-S182 WeakPolarHBondContact O-CB 3.38Å; A178-S182 PolarHBondContact O-N 2.85Å; A178-S182 PolarHBondContact O-OG 2.91Å; T179-S182 WeakPolarHBondContact CA-OG 3.43Å; T179-S182 PolarHBondContact O-OG 3.17Å; S182-M186 WeakPolarHBondContact O-CB 3.49Å; S182-M186 PolarHBondContact O-N 3.47Å
183L90.3Very high87.1Confident58 Ų5872.5 Ų72.530%0.30439%0.387SS..Hα-helixtrans-66.5-43.2174-75171.3000111.7M139 M140 T179 I180 L181 M186 H187M139-L183 HydrophobicContact CE-CD1 4.49Å; M140-L183 HydrophobicContact CE-CB 4.23Å; M140-L183 HydrophobicContact CE-CD2 3.38Å; M140-L183 HydrophobicContact CE-CG 3.51Å; M140-L183 HydrophobicContact SD-CD2 4.46Å; T179-L183 VanDerWaalsContact O-CG 3.29Å; T179-L183 WeakPolarHBondContact O-CG 3.45Å; T179-L183 PolarHBondContact O-N 2.86Å; T179-L183 VanDerWaalsContact O-N 3.09Å; I180-L183 PolarHBondContact O-N 2.63Å; L181-L183 VanDerWaalsContact C-N 3.29Å; L181-L183 PolarHBondContact O-N 2.97Å; L183-M186 PolarHBondContact O-N 2.99Å; L183-H187 WeakPolarHBondContact O-CB 3.33Å; L183-H187 PolarHBondContact O-N 3.39Å
184T89.7Confident86.8Confident69 Ų6977.1 Ų77.142%0.42340%0.395SS..Hα-helixtrans-61.9-47.1176.3-59.70000111I180 L181 M186 H187 L188I180-T184 PolarHBondContact O-N 3.14Å; I180-T184 PolarHBondContact O-OG1 3.5Å; L181-T184 PolarHBondContact O-N 3.45Å; T184-M186 VanDerWaalsContact C-N 3.34Å; T184-M186 PolarHBondContact O-N 3.34Å; T184-H187 WeakPolarHBondContact O-CB 3.45Å; T184-H187 PolarHBondContact O-N 3.28Å; T184-L188 HydrophobicContact CG2-CD1 4.27Å; T184-L188 VanDerWaalsContact O-CG 3.28Å; T184-L188 WeakPolarHBondContact O-CG 3.37Å; T184-L188 PolarHBondContact O-N 2.89Å
185H89.2Confident86.5Confident102 Ų10282 Ų8247%0.47242%0.419SS..Hα-helixtrans-61.8-40.8176.2-74.6-60.8000112.7L181 H187 L188 L189L181-H185 VanDerWaalsContact CD1-NE2 3.3Å; L181-H185 WeakPolarHBondContact CD1-NE2 3.49Å; L181-H185 WeakPolarHBondContact CG-NE2 3.27Å; L181-H185 PolarHBondContact O-CD2 3.47Å; L181-H185 PolarHBondContact O-N 3.3Å; H185-H187 VanDerWaalsContact C-N 3.33Å; H185-H187 PolarHBondContact O-N 3.21Å; H185-L188 PolarHBondContact O-N 3.23Å; H185-L189 WeakPolarHBondContact O-CG 2.91Å; H185-L189 PolarHBondContact O-N 3.13Å; H185-L189 VanDerWaalsContact O-N 3.14Å
186M87.1Confident86.1Confident23 Ų2380.6 Ų80.611%0.11342%0.418CS..Hα-helixtrans-62.7-42.3174.8-174.8-77.3-59.900111.1M140 S182 L183 T184 L188 L189 R190 L207M140-M186 HydrophobicContact SD-CB 4.15Å; M140-M186 HydrophobicContact SD-CG 4.41Å; S182-M186 WeakPolarHBondContact O-CB 3.49Å; S182-M186 PolarHBondContact O-N 3.47Å; L183-M186 PolarHBondContact O-N 2.99Å; T184-M186 VanDerWaalsContact C-N 3.34Å; T184-M186 PolarHBondContact O-N 3.34Å; M186-L188 VanDerWaalsContact C-N 3.34Å; M186-L188 PolarHBondContact O-N 3.1Å; M186-L189 CarbonylContact O-C 3.48Å; M186-L189 PolarHBondContact O-N 2.91Å; M186-L189 VanDerWaalsContact O-N 3.16Å; M186-R190 PolarHBondContact O-N 2.99Å; M186-R190 VanDerWaalsContact O-N 3.12Å; M186-L207 HydrophobicContact CG-CD1 4.45Å; M186-L207 HydrophobicContact CG-CD2 4.1Å; M186-L207 HydrophobicContact SD-CD2 4.08Å
187H87.2Confident86Confident121 Ų12177.5 Ų77.556%0.5641%0.409SS*.Hα-helixtrans-63.1-38.2176.5-174.365.8000112.4L183 T184 H185 L189 R190L183-H187 WeakPolarHBondContact O-CB 3.33Å; L183-H187 PolarHBondContact O-N 3.39Å; T184-H187 WeakPolarHBondContact O-CB 3.45Å; T184-H187 PolarHBondContact O-N 3.28Å; H185-H187 VanDerWaalsContact C-N 3.33Å; H185-H187 PolarHBondContact O-N 3.21Å; H187-L189 VanDerWaalsContact C-N 3.26Å; H187-L189 PolarHBondContact O-N 3.33Å; H187-R190 VanDerWaalsContact O-CB 3.31Å; H187-R190 WeakPolarHBondContact O-CB 3.44Å; H187-R190 PolarHBondContact O-N 3.34Å
188L86.6Confident86Confident121 Ų12183.3 Ų83.363%0.63445%0.446SS*.Hα-helixtrans-67.2-26.8175.4-67.2171.7000113T184 H185 M186T184-L188 HydrophobicContact CG2-CD1 4.27Å; T184-L188 VanDerWaalsContact O-CG 3.28Å; T184-L188 WeakPolarHBondContact O-CG 3.37Å; T184-L188 PolarHBondContact O-N 2.89Å; H185-L188 PolarHBondContact O-N 3.23Å; M186-L188 VanDerWaalsContact C-N 3.34Å; M186-L188 PolarHBondContact O-N 3.1Å
189L86.1Confident85.9Confident24 Ų2484.9 Ų84.913%0.12647%0.467CS..THydrogen-bonded Turntrans-91.4-1.8177.1-64.6174.7000113.1H185 M186 H187 M191 L207 I208 I210 L213H185-L189 WeakPolarHBondContact O-CG 2.91Å; H185-L189 PolarHBondContact O-N 3.13Å; H185-L189 VanDerWaalsContact O-N 3.14Å; M186-L189 CarbonylContact O-C 3.48Å; M186-L189 PolarHBondContact O-N 2.91Å; M186-L189 VanDerWaalsContact O-N 3.16Å; H187-L189 VanDerWaalsContact C-N 3.26Å; H187-L189 PolarHBondContact O-N 3.33Å; L189-M191 PolarHBondContact O-N 3.06Å; L189-L207 HydrophobicContact CB-CD2 4.12Å; L189-L207 CarbonylContact O-C 3.33Å; L189-L207 VanDerWaalsContact O-CA 3.27Å; L189-L207 WeakPolarHBondContact O-CA 3.28Å; L189-I208 HydrophobicContact CD2-CB 4.36Å; L189-I208 WeakPolarHBondContact O-CG1 3.48Å; L189-I208 PolarHBondContact O-N 2.89Å; L189-I210 HydrophobicContact CD1-CD1 4.2Å; L189-I210 HydrophobicContact CD1-CG1 3.77Å; L189-I210 HydrophobicContact CD2-CG1 4.49Å; L189-L213 HydrophobicContact CD2-CD2 3.48Å; L189-L213 VanDerWaalsContact CD2-CD2 3.48Å
190R86.6Confident85.7Confident58 Ų5888.8 Ų88.822%0.21948%0.482CS..EExtended strand (participates in β ladder)trans-76.3123.7-175.8174.7157.3173.91471.7111.1N145 M186 H187 E192 F204N145-R190 PolarHBondContact OD1-NH1 3.23Å; M186-R190 PolarHBondContact O-N 2.99Å; M186-R190 VanDerWaalsContact O-N 3.12Å; H187-R190 VanDerWaalsContact O-CB 3.31Å; H187-R190 WeakPolarHBondContact O-CB 3.44Å; H187-R190 PolarHBondContact O-N 3.34Å; R190-E192 HydrophobicContact CG-CG 4.06Å; R190-E192 IonicContact NE-OE1 3.35Å; R190-E192 PolarHBondContact NE-OE1 3Å; R190-F204 HydrophobicContact CB-CE2 4.24Å; R190-F204 HydrophobicContact CG-CD2 3.55Å; R190-F204 HydrophobicContact CG-CE2 3.66Å
191M82.9Confident85.2Confident97 Ų9791.8 Ų91.848%0.47849%0.485SS..EExtended strand (participates in β ladder)trans-94.1123.4169.2-69.7-167.9162.800110.7L189 L205 G206 I208L189-M191 PolarHBondContact O-N 3.06Å; M191-L205 HydrophobicContact CB-CB 4.42Å; M191-L205 PolarHBondContact O-N 3.46Å; M191-G206 PolarHBondContact N-O 3.22Å; M191-I208 HydrophobicContact CE-CB 4.36Å; M191-I208 HydrophobicContact CE-CD1 3.54Å; M191-I208 HydrophobicContact CE-CG1 3.41Å; M191-I208 VanDerWaalsContact CE-CG1 3.41Å; M191-I208 HydrophobicContact CE-CG2 4.39Å; M191-I208 HydrophobicContact CG-CD1 4.01Å; M191-I208 HydrophobicContact CG-CG1 3.52Å; M191-I208 HydrophobicContact SD-CG1 4.05Å
192E83.7Confident84.8Confident86 Ų8689.6 Ų89.640%0.40248%0.477SS..EExtended strand (participates in β ladder)trans-105.9146.1177.7-65.2-162.5156.200111.2R190 K194 P202R190-E192 HydrophobicContact CG-CG 4.06Å; R190-E192 IonicContact NE-OE1 3.35Å; R190-E192 PolarHBondContact NE-OE1 3Å; E192-K194 PolarHBondContact O-N 3.34Å; E192-P202 HydrophobicContact CB-CB 3.93Å; E192-P202 HydrophobicContact CG-CB 4.29Å; E192-P202 WeakPolarHBondContact OE2-CG 3.23Å
193S83.2Confident84.5Confident21 Ų2191.4 Ų91.415%0.14749%0.486CS..  trans-66.4129177.4580000111.8I195 T196 V203S193-I195 VanDerWaalsContact C-N 3.29Å; S193-I195 PolarHBondContact O-N 3.35Å; S193-T196 VanDerWaalsContact OG-CG2 3.23Å; S193-T196 WeakPolarHBondContact OG-CG2 3.43Å; S193-V203 PolarHBondContact N-O 3.46Å; S193-V203 VanDerWaalsContact N-O 3.11Å; S193-V203 PolarHBondContact OG-N 3.01Å; S193-V203 PolarHBondContact OG-O 3.37Å
194K82.2Confident84.2Confident214 Ų21489.2 Ų89.293%0.9347%0.474SS*.SBendtrans-70.2-22.2176.4-65.6-175.7-179.7-179.40114.1E192E192-K194 PolarHBondContact O-N 3.34Å
195I80.5Confident83.8Confident160 Ų16091.6 Ų91.682%0.82148%0.484SS*.  trans-117.7102.3-174.4-53.3169.9000107.4S193S193-I195 VanDerWaalsContact C-N 3.29Å; S193-I195 PolarHBondContact O-N 3.35Å
196T77Confident83.6Confident52 Ų5287.7 Ų87.732%0.31947%0.472SS..  trans-128.9154.5166.454.30000109.7S193 E200S193-T196 VanDerWaalsContact OG-CG2 3.23Å; S193-T196 WeakPolarHBondContact OG-CG2 3.43Å; T196-E200 PolarHBondContact OG1-O 3.18Å
197A83.5Confident83.5Confident48 Ų4889.5 Ų89.540%0.39748%0.481SS..  trans-62144.6172.100000109.7G199 E200A197-G199 PolarHBondContact O-N 2.9Å; A197-G199 VanDerWaalsContact O-N 3.1Å; A197-E200 HydrophobicContact CB-CG 4.21Å; A197-E200 PolarHBondContact O-N 3.48Å
198P83.7Confident83.4Confident137 Ų13785.6 Ų85.689%0.8946%0.464SS*.THydrogen-bonded Turntrans-58.2118.6176.323.5-32.2000109.9
199G84.8Confident83.4Confident88 Ų8883.5 Ų83.591%0.90746%0.458SS*.THydrogen-bonded Turntrans103.7-14.4-176.700000115A197A197-G199 PolarHBondContact O-N 2.9Å; A197-G199 VanDerWaalsContact O-N 3.1Å
200E85.1Confident83.5Confident126 Ų12687.6 Ų87.659%0.58948%0.479SS*.SBendtrans-86.5131171.7-72.5-178.5163.300110.9T196 A197T196-E200 PolarHBondContact OG1-O 3.18Å; A197-E200 HydrophobicContact CB-CG 4.21Å; A197-E200 PolarHBondContact O-N 3.48Å
201R81.3Confident83.6Confident194 Ų19489.7 Ų89.773%0.73250%0.5SS*.PPolyproline II helixtrans-59.4139.9172.559-178.1173.5170-1.5110.1E144 V203E144-R201 IonicContact OE1-NH1 3.85Å; R201-V203 PolarHBondContact O-N 3Å
202P81.8Confident84Confident49 Ų4989 Ų8932%0.31850%0.501SS..PPolyproline II helixtrans-53132.7178.618.5-29.6000111E192E192-P202 HydrophobicContact CB-CB 3.93Å; E192-P202 HydrophobicContact CG-CB 4.29Å; E192-P202 WeakPolarHBondContact OE2-CG 3.23Å
203V82.6Confident84.2Confident71 Ų7187.5 Ų87.543%0.4350%0.495SS..PPolyproline II helixtrans-78.7129.2179.3-178.10000108.4S193 R201 L205S193-V203 PolarHBondContact N-O 3.46Å; S193-V203 VanDerWaalsContact N-O 3.11Å; S193-V203 PolarHBondContact OG-N 3.01Å; S193-V203 PolarHBondContact OG-O 3.37Å; R201-V203 PolarHBondContact O-N 3Å; V203-L205 PolarHBondContact O-N 3.09Å
204F82.3Confident84.5Confident12 Ų1292.1 Ų92.15%0.05352%0.518CS..EExtended strand (participates in β ladder)trans-62.5116.8170.4-179.7-98000110.2E144 N145 K146 R190 G206 L207E144-F204 WeakPolarHBondContact O-CB 3.34Å; E144-F204 WeakPolarHBondContact O-CG 3.35Å; N145-F204 VanDerWaalsContact C-CE1 3.43Å; N145-F204 WeakPolarHBondContact O-CE1 3.31Å; N145-F204 WeakPolarHBondContact O-CZ 3.18Å; K146-F204 HydrophobicContact CB-CD1 4.14Å; K146-F204 HydrophobicContact CB-CE1 4.19Å; K146-F204 HydrophobicContact CD-CD1 4.19Å; K146-F204 HydrophobicContact CG-CD1 4.17Å; K146-F204 PolarHBondContact NZ-O 3.33Å; K146-F204 VanDerWaalsContact NZ-O 3.09Å; R190-F204 HydrophobicContact CB-CE2 4.24Å; R190-F204 HydrophobicContact CG-CD2 3.55Å; R190-F204 HydrophobicContact CG-CE2 3.66Å; F204-G206 WeakPolarHBondContact CE2-O 3.46Å; F204-G206 WeakPolarHBondContact CZ-O 3.3Å; F204-L207 HydrophobicContact CE2-CD2 4.04Å; F204-L207 HydrophobicContact CZ-CD2 4.04Å; F204-L207 HydrophobicContact CZ-CG 4.02Å
205L82.7Confident85Confident119 Ų11983.6 Ų83.662%0.62349%0.491SS*.EExtended strand (participates in β ladder)trans-89.5-42.4177.7-66.9178.3000111.6M191 V203M191-L205 HydrophobicContact CB-CB 4.42Å; M191-L205 PolarHBondContact O-N 3.46Å; V203-L205 PolarHBondContact O-N 3.09Å
206G84.2Confident85.4Confident21 Ų2179.3 Ų79.322%0.21647%0.472CS..EExtended strand (participates in β ladder)trans169.7-177.6-177.100000113.2M191 F204M191-G206 PolarHBondContact N-O 3.22Å; F204-G206 WeakPolarHBondContact CE2-O 3.46Å; F204-G206 WeakPolarHBondContact CZ-O 3.3Å
207L84.5Confident86Confident60 Ų6082.4 Ų82.431%0.31448%0.481SS..EExtended strand (participates in β ladder)trans-101.7140.2169.9-66.2179.6000110.4L147 M186 L189 F204 P209L147-L207 HydrophobicContact CD2-CD1 3.56Å; L147-L207 HydrophobicContact CD2-CG 4.2Å; M186-L207 HydrophobicContact CG-CD1 4.45Å; M186-L207 HydrophobicContact CG-CD2 4.1Å; M186-L207 HydrophobicContact SD-CD2 4.08Å; L189-L207 HydrophobicContact CB-CD2 4.12Å; L189-L207 CarbonylContact O-C 3.33Å; L189-L207 VanDerWaalsContact O-CA 3.27Å; L189-L207 WeakPolarHBondContact O-CA 3.28Å; F204-L207 HydrophobicContact CE2-CD2 4.04Å; F204-L207 HydrophobicContact CZ-CD2 4.04Å; F204-L207 HydrophobicContact CZ-CG 4.02Å; L207-P209 WeakPolarHBondContact O-CD 3.37Å
208I86.2Confident86.3Confident40 Ų4086.2 Ų86.221%0.20549%0.494CS..PPolyproline II helixtrans-67.2125.6168.2-46.5-170000108L189 M191 I210 L213L189-I208 HydrophobicContact CD2-CB 4.36Å; L189-I208 WeakPolarHBondContact O-CG1 3.48Å; L189-I208 PolarHBondContact O-N 2.89Å; M191-I208 HydrophobicContact CE-CB 4.36Å; M191-I208 HydrophobicContact CE-CD1 3.54Å; M191-I208 HydrophobicContact CE-CG1 3.41Å; M191-I208 VanDerWaalsContact CE-CG1 3.41Å; M191-I208 HydrophobicContact CE-CG2 4.39Å; M191-I208 HydrophobicContact CG-CD1 4.01Å; M191-I208 HydrophobicContact CG-CG1 3.52Å; M191-I208 HydrophobicContact SD-CG1 4.05Å; I208-I210 PolarHBondContact O-N 3.29Å; I208-L213 HydrophobicContact CG2-CB 4.29Å
209P86Confident86.5Confident77 Ų7787.3 Ų87.350%0.548%0.482SS..PPolyproline II helixtrans-62.7128.7173.2-18.130.1000110.1L207 P211 V212 L213L207-P209 WeakPolarHBondContact O-CD 3.37Å; P209-P211 VanDerWaalsContact C-N 3.26Å; P209-V212 HydrophobicContact CB-CG2 4.16Å; P209-V212 HydrophobicContact CG-CG2 4.25Å; P209-V212 WeakPolarHBondContact O-CB 3.39Å; P209-V212 PolarHBondContact O-N 3.41Å; P209-L213 PolarHBondContact O-N 3.27Å; P209-L213 VanDerWaalsContact O-N 3.14Å
210I88Confident86.6Confident110 Ų11087.3 Ų87.356%0.56446%0.459SS*.Hα-helixtrans-50.8-39.7177.7-62.5168.8000112.4L189 I208 V212 L213 L214L189-I210 HydrophobicContact CD1-CD1 4.2Å; L189-I210 HydrophobicContact CD1-CG1 3.77Å; L189-I210 HydrophobicContact CD2-CG1 4.49Å; I208-I210 PolarHBondContact O-N 3.29Å; I210-V212 VanDerWaalsContact C-N 3.3Å; I210-V212 PolarHBondContact O-N 2.98Å; I210-L213 PolarHBondContact O-N 3.39Å; I210-L214 VanDerWaalsContact O-CB 3.31Å; I210-L214 WeakPolarHBondContact O-CB 3.49Å; I210-L214 PolarHBondContact O-N 2.96Å
211P90.2Very high86.5Confident101 Ų10183.1 Ų83.166%0.65645%0.45SS*.Hα-helixtrans-61.2-35.1176.7-25.435.5000113.9P209 G215P209-P211 VanDerWaalsContact C-N 3.26Å; P211-G215 PolarHBondContact O-N 2.63Å
212V89.5Confident86.7Confident84 Ų8476 Ų7651%0.50943%0.433SS..Hα-helixtrans-70.6-45.4176.4178.90000109.8P209 I210 L214 G215 V216P209-V212 HydrophobicContact CB-CG2 4.16Å; P209-V212 HydrophobicContact CG-CG2 4.25Å; P209-V212 WeakPolarHBondContact O-CB 3.39Å; P209-V212 PolarHBondContact O-N 3.41Å; I210-V212 VanDerWaalsContact C-N 3.3Å; I210-V212 PolarHBondContact O-N 2.98Å; V212-L214 PolarHBondContact O-N 3.3Å; V212-G215 PolarHBondContact O-N 2.88Å; V212-V216 WeakPolarHBondContact O-CG2 3.48Å; V212-V216 PolarHBondContact O-N 3.28Å
213L88.4Confident86.5Confident54 Ų5475.7 Ų75.728%0.28343%0.431SS..Hα-helixtrans-61.1-45.7177.4-177.462.6000111.5L189 I208 P209 I210 G215 V216 F217L189-L213 HydrophobicContact CD2-CD2 3.48Å; L189-L213 VanDerWaalsContact CD2-CD2 3.48Å; I208-L213 HydrophobicContact CG2-CB 4.29Å; P209-L213 PolarHBondContact O-N 3.27Å; P209-L213 VanDerWaalsContact O-N 3.14Å; I210-L213 PolarHBondContact O-N 3.39Å; L213-G215 VanDerWaalsContact C-N 3.34Å; L213-G215 PolarHBondContact O-N 3.18Å; L213-V216 PolarHBondContact O-N 3.05Å; L213-F217 HydrophobicContact CD1-CD2 3.9Å; L213-F217 HydrophobicContact CD1-CE2 3.41Å; L213-F217 VanDerWaalsContact CD1-CE2 3.41Å; L213-F217 HydrophobicContact CD1-CZ 4.08Å; L213-F217 HydrophobicContact CD2-CE2 3.91Å; L213-F217 HydrophobicContact CG-CD2 3.72Å; L213-F217 HydrophobicContact CG-CE2 3.44Å; L213-F217 VanDerWaalsContact CG-CE2 3.44Å; L213-F217 WeakPolarHBondContact O-CD2 2.97Å; L213-F217 PolarHBondContact O-N 3.49Å
214L90.4Very high86.1Confident117 Ų11776.2 Ų76.261%0.61344%0.438SS*.Hα-helixtrans-63.6-39.5175.8-175.265.4000111.5I210 V212 V216 F217 L218I210-L214 VanDerWaalsContact O-CB 3.31Å; I210-L214 WeakPolarHBondContact O-CB 3.49Å; I210-L214 PolarHBondContact O-N 2.96Å; V212-L214 PolarHBondContact O-N 3.3Å; L214-V216 VanDerWaalsContact C-N 3.35Å; L214-F217 PolarHBondContact O-N 3.17Å; L214-L218 VanDerWaalsContact O-CB 3.27Å; L214-L218 WeakPolarHBondContact O-CB 3.33Å; L214-L218 PolarHBondContact O-N 2.85Å
215G91.5Very high85.7Confident36 Ų3680.8 Ų80.837%0.37146%0.462SS..Hα-helixtrans-62.2-40.4173.700000112.6P211 V212 L213 L218 Y219P211-G215 PolarHBondContact O-N 2.63Å; V212-G215 PolarHBondContact O-N 2.88Å; L213-G215 VanDerWaalsContact C-N 3.34Å; L213-G215 PolarHBondContact O-N 3.18Å; G215-L218 PolarHBondContact O-N 2.88Å; G215-Y219 WeakPolarHBondContact O-CB 3.39Å; G215-Y219 PolarHBondContact O-N 2.88Å
216V90Very high85.2Confident70 Ų7080.1 Ų80.142%0.42446%0.458SS..Hα-helixtrans-66.9-43.3174.2172.60000110.9V212 L213 L214 Y219 M220V212-V216 WeakPolarHBondContact O-CG2 3.48Å; V212-V216 PolarHBondContact O-N 3.28Å; L213-V216 PolarHBondContact O-N 3.05Å; L214-V216 VanDerWaalsContact C-N 3.35Å; V216-Y219 PolarHBondContact O-N 2.9Å; V216-M220 HydrophobicContact CG1-CE 3.94Å; V216-M220 HydrophobicContact CG1-SD 4.37Å; V216-M220 VanDerWaalsContact O-CG 3.32Å; V216-M220 WeakPolarHBondContact O-CG 3.41Å; V216-M220 PolarHBondContact O-N 2.88Å
217F89.7Confident84.6Confident117 Ų11780.6 Ų80.651%0.51346%0.458SS..Hα-helixtrans-64-41.4174.7-78.8-58.5000112.7L213 L214 Y219 M220 G221L213-F217 HydrophobicContact CD1-CD2 3.9Å; L213-F217 HydrophobicContact CD1-CE2 3.41Å; L213-F217 VanDerWaalsContact CD1-CE2 3.41Å; L213-F217 HydrophobicContact CD1-CZ 4.08Å; L213-F217 HydrophobicContact CD2-CE2 3.91Å; L213-F217 HydrophobicContact CG-CD2 3.72Å; L213-F217 HydrophobicContact CG-CE2 3.44Å; L213-F217 VanDerWaalsContact CG-CE2 3.44Å; L213-F217 WeakPolarHBondContact O-CD2 2.97Å; L213-F217 PolarHBondContact O-N 3.49Å; L214-F217 PolarHBondContact O-N 3.17Å; F217-Y219 VanDerWaalsContact C-N 3.35Å; F217-M220 HydrophobicContact CB-CE 4.5Å; F217-M220 HydrophobicContact CD1-CE 3.23Å; F217-M220 HydrophobicContact CE1-CE 3.56Å; F217-M220 HydrophobicContact CG-CE 4.04Å; F217-M220 PolarHBondContact O-N 3.25Å; F217-G221 PolarHBondContact O-N 3.37Å
218L88.7Confident84.1Confident127 Ų12781.5 Ų81.567%0.66546%0.462SS*.Hα-helixtrans-63.4-41.9174.7-177.267.1000110.9L214 G215 G221 A222L214-L218 VanDerWaalsContact O-CB 3.27Å; L214-L218 WeakPolarHBondContact O-CB 3.33Å; L214-L218 PolarHBondContact O-N 2.85Å; G215-L218 PolarHBondContact O-N 2.88Å; L218-G221 PolarHBondContact O-N 2.83Å; L218-A222 VanDerWaalsContact O-CB 3.26Å; L218-A222 WeakPolarHBondContact O-CB 3.46Å; L218-A222 PolarHBondContact O-N 3.27Å
219Y88.8Confident83.6Confident161 Ų16183.5 Ų83.563%0.63147%0.471SS*.Hα-helixtrans-63.9-43.6174.8175.5-101.7000112G215 V216 F217 G221 A222 S223G215-Y219 WeakPolarHBondContact O-CB 3.39Å; G215-Y219 PolarHBondContact O-N 2.88Å; V216-Y219 PolarHBondContact O-N 2.9Å; F217-Y219 VanDerWaalsContact C-N 3.35Å; Y219-G221 VanDerWaalsContact C-N 3.31Å; Y219-G221 PolarHBondContact O-N 3.04Å; Y219-A222 PolarHBondContact O-N 3.43Å; Y219-S223 WeakPolarHBondContact O-CB 3.34Å; Y219-S223 PolarHBondContact O-N 3.28Å; Y219-S223 PolarHBondContact O-OG 3.42Å
220M86.6Confident83.3Confident87 Ų8781.4 Ų81.443%0.42945%0.453SS..Hα-helixtrans-62.9-37174.4-71.1-173.5-60.600112V216 F217 S223 C224V216-M220 HydrophobicContact CG1-CE 3.94Å; V216-M220 HydrophobicContact CG1-SD 4.37Å; V216-M220 VanDerWaalsContact O-CG 3.32Å; V216-M220 WeakPolarHBondContact O-CG 3.41Å; V216-M220 PolarHBondContact O-N 2.88Å; F217-M220 HydrophobicContact CB-CE 4.5Å; F217-M220 HydrophobicContact CD1-CE 3.23Å; F217-M220 HydrophobicContact CE1-CE 3.56Å; F217-M220 HydrophobicContact CG-CE 4.04Å; F217-M220 PolarHBondContact O-N 3.25Å; M220-S223 WeakPolarHBondContact CA-OG 3.4Å; M220-S223 PolarHBondContact O-OG 3.05Å; M220-C224 PolarHBondContact O-N 3.37Å; M220-C224 PolarHBondContact O-SG 3.3Å
221G84.1Confident82.9Confident38 Ų3879.3 Ų79.339%0.39244%0.442SS..Hα-helixtrans-69.3-44.7173.600000112.8F217 L218 Y219 C224 L225F217-G221 PolarHBondContact O-N 3.37Å; L218-G221 PolarHBondContact O-N 2.83Å; Y219-G221 VanDerWaalsContact C-N 3.31Å; Y219-G221 PolarHBondContact O-N 3.04Å; G221-C224 VanDerWaalsContact O-CB 3.3Å; G221-C224 WeakPolarHBondContact O-CB 3.34Å; G221-C224 PolarHBondContact O-N 3.22Å; G221-L225 PolarHBondContact O-N 3.49Å
222A83.6Confident82.4Confident46 Ų4679.3 Ų79.338%0.3844%0.436SS..Hα-helixtrans-66.7-35.8177.800000112.1L218 Y219 C224 L225 I226L218-A222 VanDerWaalsContact O-CB 3.26Å; L218-A222 WeakPolarHBondContact O-CB 3.46Å; L218-A222 PolarHBondContact O-N 3.27Å; Y219-A222 PolarHBondContact O-N 3.43Å; A222-C224 VanDerWaalsContact C-N 3.3Å; A222-C224 PolarHBondContact O-N 2.9Å; A222-L225 WeakPolarHBondContact O-CA 3.43Å; A222-L225 VanDerWaalsContact O-CB 3.27Å; A222-L225 WeakPolarHBondContact O-CB 3.31Å; A222-L225 PolarHBondContact O-N 3.37Å; A222-I226 PolarHBondContact O-N 3.18Å
223S79.2Confident82Confident41 Ų4175.5 Ų75.529%0.28741%0.413SS..Hα-helixtrans-67.9-31.217468.90000111.9Y219 M220 L225 I226Y219-S223 WeakPolarHBondContact O-CB 3.34Å; Y219-S223 PolarHBondContact O-N 3.28Å; Y219-S223 PolarHBondContact O-OG 3.42Å; M220-S223 WeakPolarHBondContact CA-OG 3.4Å; M220-S223 PolarHBondContact O-OG 3.05Å; S223-L225 PolarHBondContact O-N 2.84Å; S223-I226 WeakPolarHBondContact O-CB 3.41Å; S223-I226 PolarHBondContact O-N 2.8Å; S223-I226 VanDerWaalsContact O-N 3.16Å
224C73.7Confident81.7Confident83 Ų8378.7 Ų78.756%0.56142%0.424SS*.Hα-helixtrans-60.9-33.1167.6-70.30000112.1M220 G221 A222 I226 S227M220-C224 PolarHBondContact O-N 3.37Å; M220-C224 PolarHBondContact O-SG 3.3Å; G221-C224 VanDerWaalsContact O-CB 3.3Å; G221-C224 WeakPolarHBondContact O-CB 3.34Å; G221-C224 PolarHBondContact O-N 3.22Å; A222-C224 VanDerWaalsContact C-N 3.3Å; A222-C224 PolarHBondContact O-N 2.9Å; C224-I226 VanDerWaalsContact C-N 3.27Å; C224-I226 PolarHBondContact O-N 2.84Å; C224-S227 WeakPolarHBondContact O-CA 3.29Å; C224-S227 WeakPolarHBondContact O-CB 3.43Å; C224-S227 PolarHBondContact O-N 2.87Å; C224-S227 PolarHBondContact O-OG 3.39Å; C224-S227 VanDerWaalsContact O-OG 3.13Å
225L74.5Confident81.3Confident108 Ų10880.6 Ų80.657%0.56543%0.428SS*.Hα-helixtrans-66.7-24.6175.9-56.9176.5000113G221 A222 S223 S227 I228G221-L225 PolarHBondContact O-N 3.49Å; A222-L225 WeakPolarHBondContact O-CA 3.43Å; A222-L225 VanDerWaalsContact O-CB 3.27Å; A222-L225 WeakPolarHBondContact O-CB 3.31Å; A222-L225 PolarHBondContact O-N 3.37Å; S223-L225 PolarHBondContact O-N 2.84Å; L225-S227 PolarHBondContact O-N 3.07Å; L225-I228 HydrophobicContact CB-CD1 4.03Å; L225-I228 HydrophobicContact CD2-CD1 3.49Å; L225-I228 VanDerWaalsContact CD2-CD1 3.49Å; L225-I228 HydrophobicContact CG-CD1 4.35Å; L225-I228 WeakPolarHBondContact O-CA 3.34Å; L225-I228 WeakPolarHBondContact O-CB 3.37Å; L225-I228 WeakPolarHBondContact O-CG1 3.4Å; L225-I228 PolarHBondContact O-N 3.35Å
226I71.3Confident80.8Confident104 Ų10480.8 Ų80.853%0.53342%0.422SS..Hα-helixtrans-59.4-27.8170.4-57.8170.1000109.9A222 S223 C224 I228 E229A222-I226 PolarHBondContact O-N 3.18Å; S223-I226 WeakPolarHBondContact O-CB 3.41Å; S223-I226 PolarHBondContact O-N 2.8Å; S223-I226 VanDerWaalsContact O-N 3.16Å; C224-I226 VanDerWaalsContact C-N 3.27Å; C224-I226 PolarHBondContact O-N 2.84Å; I226-I228 PolarHBondContact O-N 3.2Å; I226-E229 VanDerWaalsContact O-CB 3.3Å; I226-E229 WeakPolarHBondContact O-CB 3.32Å; I226-E229 PolarHBondContact O-N 3.09Å; I226-E229 VanDerWaalsContact O-N 3.09Å
227S71.8Confident80.3Confident31 Ų3181.5 Ų81.522%0.21743%0.428CS..Hα-helixtrans-65.6-18.8172.8-500000113.5C224 L225 E229 R230 I231C224-S227 WeakPolarHBondContact O-CA 3.29Å; C224-S227 WeakPolarHBondContact O-CB 3.43Å; C224-S227 PolarHBondContact O-N 2.87Å; C224-S227 PolarHBondContact O-OG 3.39Å; C224-S227 VanDerWaalsContact O-OG 3.13Å; L225-S227 PolarHBondContact O-N 3.07Å; S227-E229 VanDerWaalsContact C-N 3.25Å; S227-E229 PolarHBondContact O-N 2.99Å; S227-R230 VanDerWaalsContact O-CB 3.29Å; S227-R230 WeakPolarHBondContact O-CB 3.49Å; S227-R230 PolarHBondContact O-N 3.17Å; S227-R230 VanDerWaalsContact O-N 3.07Å; S227-R230 PolarHBondContact OG-NH2 3.31Å; S227-I231 PolarHBondContact O-N 2.88Å
228I74.3Confident79.7Confident80 Ų8081.2 Ų81.241%0.4144%0.436SS..Hα-helixtrans-66.6-31.3173.4-58.6171.9000110.2L225 I226 R230 I231 L232L225-I228 HydrophobicContact CB-CD1 4.03Å; L225-I228 HydrophobicContact CD2-CD1 3.49Å; L225-I228 VanDerWaalsContact CD2-CD1 3.49Å; L225-I228 HydrophobicContact CG-CD1 4.35Å; L225-I228 WeakPolarHBondContact O-CA 3.34Å; L225-I228 WeakPolarHBondContact O-CB 3.37Å; L225-I228 WeakPolarHBondContact O-CG1 3.4Å; L225-I228 PolarHBondContact O-N 3.35Å; I226-I228 PolarHBondContact O-N 3.2Å; I228-R230 PolarHBondContact O-N 2.96Å; I228-I231 CarbonylContact O-C 3.56Å; I228-I231 WeakPolarHBondContact O-CA 3.48Å; I228-I231 VanDerWaalsContact O-CB 3.32Å; I228-I231 WeakPolarHBondContact O-CB 3.47Å; I228-I231 PolarHBondContact O-N 3.4Å; I228-L232 PolarHBondContact O-N 3.36Å
229E76.1Confident79.3Confident81 Ų8184.6 Ų84.638%0.37945%0.445SS..Hα-helixtrans-58.7-32.6172.2-58.1-175.1155.500111.2I226 S227 I231 L232 L233 F244I226-E229 VanDerWaalsContact O-CB 3.3Å; I226-E229 WeakPolarHBondContact O-CB 3.32Å; I226-E229 PolarHBondContact O-N 3.09Å; I226-E229 VanDerWaalsContact O-N 3.09Å; S227-E229 VanDerWaalsContact C-N 3.25Å; S227-E229 PolarHBondContact O-N 2.99Å; E229-I231 VanDerWaalsContact C-N 3.34Å; E229-L232 WeakPolarHBondContact O-CB 3.47Å; E229-L232 PolarHBondContact O-N 3Å; E229-L233 WeakPolarHBondContact O-CG 3.37Å; E229-L233 PolarHBondContact O-N 3.2Å; E229-F244 HydrophobicContact CB-CE2 4.5Å; E229-F244 HydrophobicContact CB-CZ 4.2Å; E229-F244 WeakPolarHBondContact OE2-CE1 3.3Å; E229-F244 WeakPolarHBondContact OE2-CZ 3.08Å
230R78.5Confident78.7Confident34 Ų3485.7 Ų85.713%0.12845%0.449CS..Hα-helixtrans-71.2-29.3174.3-55.1-170.1-87.6-138.5-7.3113.2S227 I228 L233 T259 L308S227-R230 VanDerWaalsContact O-CB 3.29Å; S227-R230 WeakPolarHBondContact O-CB 3.49Å; S227-R230 PolarHBondContact O-N 3.17Å; S227-R230 VanDerWaalsContact O-N 3.07Å; S227-R230 PolarHBondContact OG-NH2 3.31Å; I228-R230 PolarHBondContact O-N 2.96Å; R230-L233 WeakPolarHBondContact O-CB 3.35Å; R230-L233 PolarHBondContact O-N 2.7Å; R230-T259 HydrophobicContact CB-CG2 3.48Å; R230-T259 VanDerWaalsContact CB-CG2 3.48Å; R230-T259 HydrophobicContact CG-CG2 4.26Å; R230-L308 PolarHBondContact NH1-O 3.07Å
231I80.7Confident78.3Confident66 Ų6683.3 Ų83.334%0.33844%0.437SS..Hα-helixtrans-69.7-41.2170.1-55.3177.1000109.5S227 I228 E229 L233 F234 F235 I263S227-I231 PolarHBondContact O-N 2.88Å; I228-I231 CarbonylContact O-C 3.56Å; I228-I231 WeakPolarHBondContact O-CA 3.48Å; I228-I231 VanDerWaalsContact O-CB 3.32Å; I228-I231 WeakPolarHBondContact O-CB 3.47Å; I228-I231 PolarHBondContact O-N 3.4Å; E229-I231 VanDerWaalsContact C-N 3.34Å; I231-L233 VanDerWaalsContact C-N 3.3Å; I231-L233 PolarHBondContact O-N 2.93Å; I231-F234 WeakPolarHBondContact O-CB 3.45Å; I231-F234 PolarHBondContact O-N 3.01Å; I231-F235 HydrophobicContact CG2-CE2 4.44Å; I231-I263 HydrophobicContact CD1-CD1 4.42Å; I231-I263 HydrophobicContact CD1-CG1 4.3Å; I231-I263 HydrophobicContact CG1-CD1 4.06Å; I231-I263 HydrophobicContact CG1-CG1 4.33Å
232L79.4Confident77.8Confident100 Ų10084.4 Ų84.452%0.52444%0.437SS..Hα-helixtrans-61.7-38174.4-66.8171.4000111.6I228 E229 F234 F235 T236I228-L232 PolarHBondContact O-N 3.36Å; E229-L232 WeakPolarHBondContact O-CB 3.47Å; E229-L232 PolarHBondContact O-N 3Å; L232-F234 PolarHBondContact O-N 3.41Å; L232-F234 VanDerWaalsContact O-N 3.12Å; L232-F235 CarbonylContact O-C 3.53Å; L232-F235 WeakPolarHBondContact O-CA 3.39Å; L232-F235 PolarHBondContact O-N 2.86Å; L232-T236 PolarHBondContact O-N 3.15Å; L232-T236 PolarHBondContact O-OG1 2.75Å
233L80.4Confident77.2Confident4 Ų490.3 Ų90.32%0.02146%0.463CS..Hα-helixtrans-58.1-23.4173.2-75.9172.4000113.8E229 R230 I231 Q241 P242 F244 Y246 L247E229-L233 WeakPolarHBondContact O-CG 3.37Å; E229-L233 PolarHBondContact O-N 3.2Å; R230-L233 WeakPolarHBondContact O-CB 3.35Å; R230-L233 PolarHBondContact O-N 2.7Å; I231-L233 VanDerWaalsContact C-N 3.3Å; I231-L233 PolarHBondContact O-N 2.93Å; L233-Q241 HydrophobicContact CD2-CB 4.33Å; L233-Q241 HydrophobicContact CD2-CG 4.05Å; L233-P242 HydrophobicContact CD2-CG 4.38Å; L233-F244 HydrophobicContact CD1-CD2 4.2Å; L233-F244 HydrophobicContact CD1-CE2 4.31Å; L233-Y246 HydrophobicContact CD1-CE2 3.99Å; L233-Y246 WeakPolarHBondContact CD1-OH 3.43Å; L233-L247 HydrophobicContact CD1-CD2 4.11Å; L233-L247 HydrophobicContact CD2-CD1 4.09Å; L233-L247 HydrophobicContact CD2-CD2 4.43Å
234F81.5Confident77.1Confident121 Ų12190.9 Ų90.953%0.53146%0.46SS..Hα-helixtrans-70.9-35.9172-173-95.1000111.9I231 L232I231-F234 WeakPolarHBondContact O-CB 3.45Å; I231-F234 PolarHBondContact O-N 3.01Å; L232-F234 PolarHBondContact O-N 3.41Å; L232-F234 VanDerWaalsContact O-N 3.12Å
235F82.6Confident77.2Confident157 Ų15787.6 Ų87.669%0.68944%0.438SS*.Hα-helixtrans-87.5-21.7178.8-70-72.4000113.7I231 L232 P237I231-F235 HydrophobicContact CG2-CE2 4.44Å; L232-F235 CarbonylContact O-C 3.53Å; L232-F235 WeakPolarHBondContact O-CA 3.39Å; L232-F235 PolarHBondContact O-N 2.86Å; F235-P237 WeakPolarHBondContact O-CD 3.4Å
236T80.7Confident77.3Confident41 Ų4183.9 Ų83.925%0.25242%0.417SS..SBendtrans-80.7119.2179.8-480000110.8L232 Y240 Q241L232-T236 PolarHBondContact O-N 3.15Å; L232-T236 PolarHBondContact O-OG1 2.75Å; T236-Y240 WeakPolarHBondContact CG2-O 3.39Å; T236-Q241 HydrophobicContact CG2-CG 4.37Å
237P80.2Confident77.7Confident84 Ų8480.4 Ų80.455%0.54540%0.399SS..  trans-64.3148174.422.6-26.8000110.5F235 K239 Y240F235-P237 WeakPolarHBondContact O-CD 3.4Å; P237-K239 PolarHBondContact O-N 3.23Å; P237-Y240 HydrophobicContact CG-CD2 3.99Å; P237-Y240 PolarHBondContact O-N 3.16Å
238V77.5Confident78Confident111 Ų11187.7 Ų87.767%0.67342%0.421SS*.G310 helixtrans-47.9-29-169.9-177.90000114.4
239K80.3Confident78.4Confident198 Ų19888 Ų8886%0.86142%0.423SS*.G310 helixtrans-73.8-24.6-178.5-62.8-174.9-178.9-178.60115P237P237-K239 PolarHBondContact O-N 3.23Å
240Y76Confident78.7Confident185 Ų18584.8 Ų84.873%0.72541%0.409SS*.G310 helixtrans-10916.9-176.6-62.2-87.4000112.4T236 P237T236-Y240 WeakPolarHBondContact CG2-O 3.39Å; P237-Y240 HydrophobicContact CG-CD2 3.99Å; P237-Y240 PolarHBondContact O-N 3.16Å
241Q76.9Confident79Confident37 Ų3786.8 Ų86.817%0.17343%0.426CS..  trans-69.2133.1-178-72.2-179.2-18.900110.5L233 T236 L247L233-Q241 HydrophobicContact CD2-CB 4.33Å; L233-Q241 HydrophobicContact CD2-CG 4.05Å; T236-Q241 HydrophobicContact CG2-CG 4.37Å; Q241-L247 HydrophobicContact CB-CD1 4.45Å
242P75.2Confident79.1Confident60 Ų6085.8 Ų85.839%0.3942%0.421SS..  trans-65.1150.2173.527.7-35.9000111.4L233 F244 L247L233-P242 HydrophobicContact CD2-CG 4.38Å; P242-F244 VanDerWaalsContact C-N 3.33Å; P242-F244 HydrophobicContact CB-CD2 4.44Å; P242-F244 HydrophobicContact CB-CE2 4.12Å; P242-F244 HydrophobicContact CB-CZ 4.33Å; P242-F244 HydrophobicContact CG-CD2 3.79Å; P242-F244 HydrophobicContact CG-CE2 3.3Å; P242-F244 HydrophobicContact CG-CZ 3.86Å; P242-F244 PolarHBondContact O-N 3.07Å; P242-L247 WeakPolarHBondContact O-CD1 3.22Å
243D70.1Confident79.4Confident171 Ų17189.9 Ų89.991%0.91443%0.434SS*.  trans-7575-178-70.7-33.8000112.6
244F76.5Confident79.7Confident52 Ų5294.6 Ų94.623%0.22845%0.452CS..  trans-85.1142.5171.4-63.9-59.5000112.7E229 L233 P242 Y246 L247E229-F244 HydrophobicContact CB-CE2 4.5Å; E229-F244 HydrophobicContact CB-CZ 4.2Å; E229-F244 WeakPolarHBondContact OE2-CE1 3.3Å; E229-F244 WeakPolarHBondContact OE2-CZ 3.08Å; L233-F244 HydrophobicContact CD1-CD2 4.2Å; L233-F244 HydrophobicContact CD1-CE2 4.31Å; P242-F244 VanDerWaalsContact C-N 3.33Å; P242-F244 HydrophobicContact CB-CD2 4.44Å; P242-F244 HydrophobicContact CB-CE2 4.12Å; P242-F244 HydrophobicContact CB-CZ 4.33Å; P242-F244 HydrophobicContact CG-CD2 3.79Å; P242-F244 HydrophobicContact CG-CE2 3.3Å; P242-F244 HydrophobicContact CG-CZ 3.86Å; P242-F244 PolarHBondContact O-N 3.07Å; F244-Y246 VanDerWaalsContact C-N 3.26Å; F244-Y246 HydrophobicContact CB-CD1 3.86Å; F244-Y246 HydrophobicContact CB-CE1 3.42Å; F244-Y246 VanDerWaalsContact CB-CE1 3.42Å; F244-Y246 HydrophobicContact CB-CE2 4.2Å; F244-Y246 HydrophobicContact CB-CG 4.42Å; F244-Y246 HydrophobicContact CD1-CE1 4.21Å; F244-Y246 HydrophobicContact CD2-CE1 4.15Å; F244-Y246 HydrophobicContact CD2-CE2 4.47Å; F244-Y246 AromaticContact CD2-CZ 3.68Å; F244-Y246 WeakPolarHBondContact CD2-OH 3.3Å; F244-Y246 AromaticContact CG-CE1 3.71Å; F244-Y246 HydrophobicContact CG-CE1 3.71Å; F244-Y246 AromaticContact CG-CZ 3.73Å; F244-Y246 PolarHBondContact O-N 3.29Å; F244-L247 HydrophobicContact CB-CD1 3.94Å; F244-L247 HydrophobicContact CB-CG 4.12Å; F244-L247 HydrophobicContact CD2-CD1 3.87Å; F244-L247 HydrophobicContact CG-CD1 4.38Å; F244-L247 PolarHBondContact O-N 2.81Å
245S76.7Confident79.9Confident14 Ų1488.9 Ų88.910%0.09843%0.427CS..G310 helixtrans-56.6-36-179.3-59.50000113.4P313 W315S245-P313 PolarHBondContact OG-O 3.38Å; S245-P313 VanDerWaalsContact OG-O 3.06Å; S245-W315 PolarHBondContact OG-N 2.99Å
246Y76.1Confident80.2Confident31 Ų3183.5 Ų83.512%0.12240%0.404CS..G310 helixtrans-78.1-26.2-177.159-97.2000113.9L233 F244 R248 L249 L250 I255L233-Y246 HydrophobicContact CD1-CE2 3.99Å; L233-Y246 WeakPolarHBondContact CD1-OH 3.43Å; F244-Y246 VanDerWaalsContact C-N 3.26Å; F244-Y246 HydrophobicContact CB-CD1 3.86Å; F244-Y246 HydrophobicContact CB-CE1 3.42Å; F244-Y246 VanDerWaalsContact CB-CE1 3.42Å; F244-Y246 HydrophobicContact CB-CE2 4.2Å; F244-Y246 HydrophobicContact CB-CG 4.42Å; F244-Y246 HydrophobicContact CD1-CE1 4.21Å; F244-Y246 HydrophobicContact CD2-CE1 4.15Å; F244-Y246 HydrophobicContact CD2-CE2 4.47Å; F244-Y246 AromaticContact CD2-CZ 3.68Å; F244-Y246 WeakPolarHBondContact CD2-OH 3.3Å; F244-Y246 AromaticContact CG-CE1 3.71Å; F244-Y246 HydrophobicContact CG-CE1 3.71Å; F244-Y246 AromaticContact CG-CZ 3.73Å; F244-Y246 PolarHBondContact O-N 3.29Å; Y246-R248 PolarHBondContact O-N 3.02Å; Y246-L249 PolarHBondContact O-N 2.98Å; Y246-L249 VanDerWaalsContact O-N 3.13Å; Y246-L250 PolarHBondContact O-N 2.95Å; Y246-L250 VanDerWaalsContact O-N 3.17Å; Y246-I255 HydrophobicContact CD2-CD1 4.1Å
247L79.4Confident80.6Confident30 Ų3085.8 Ų85.816%0.15741%0.414CS..G310 helixtrans-63.7-25177.5-72.6171000112.4L233 Q241 P242 F244 M252 I255L233-L247 HydrophobicContact CD1-CD2 4.11Å; L233-L247 HydrophobicContact CD2-CD1 4.09Å; L233-L247 HydrophobicContact CD2-CD2 4.43Å; Q241-L247 HydrophobicContact CB-CD1 4.45Å; P242-L247 WeakPolarHBondContact O-CD1 3.22Å; F244-L247 HydrophobicContact CB-CD1 3.94Å; F244-L247 HydrophobicContact CB-CG 4.12Å; F244-L247 HydrophobicContact CD2-CD1 3.87Å; F244-L247 HydrophobicContact CG-CD1 4.38Å; F244-L247 PolarHBondContact O-N 2.81Å; L247-M252 HydrophobicContact CD2-CE 3.88Å; L247-M252 HydrophobicContact CD2-SD 3.49Å; L247-M252 WeakPolarHBondContact CD2-SD 3.28Å; L247-I255 HydrophobicContact CD2-CD1 3.84Å
248R80Confident81Confident184 Ų18481.9 Ų81.969%0.69439%0.388SS*.G310 helixtrans-83.4-24.1177.1-166.6172.8-175.31685.8113.3Y246Y246-R248 PolarHBondContact O-N 3.02Å
249L81.1Confident81.4Confident86 Ų8676.8 Ų76.845%0.4536%0.357SS..THydrogen-bonded Turntrans-92.7-28.4-174-65173.2000112.6Y246 I307 L312Y246-L249 PolarHBondContact O-N 2.98Å; Y246-L249 VanDerWaalsContact O-N 3.13Å; L249-I307 HydrophobicContact CB-CD1 4.4Å; L249-I307 HydrophobicContact CB-CG2 4.36Å; L249-I307 HydrophobicContact CD1-CD1 4.2Å; L249-I307 HydrophobicContact CD1-CG1 4.42Å; L249-I307 HydrophobicContact CD1-CG2 3.95Å; L249-L312 HydrophobicContact CD1-CD2 3.94Å
250L83.2Confident81.9Confident15 Ų1571.6 Ų71.68%0.07934%0.339CS..SBendtrans-124.4143.3-174.1-61.4177.5000111.9Y246 I255 E304 I307Y246-L250 PolarHBondContact O-N 2.95Å; Y246-L250 VanDerWaalsContact O-N 3.17Å; L250-I255 HydrophobicContact CB-CD1 4.13Å; L250-I255 HydrophobicContact CB-CG1 4Å; L250-E304 HydrophobicContact CD1-CB 4.48Å; L250-E304 HydrophobicContact CD2-CB 3.95Å; L250-E304 HydrophobicContact CD2-CG 3.62Å; L250-I307 HydrophobicContact CD1-CB 4.45Å; L250-I307 HydrophobicContact CD1-CG2 4.07Å; L250-I307 HydrophobicContact CG-CG2 4.38Å
251P85.5Confident82.5Confident75 Ų7564.5 Ų64.549%0.48731%0.314SS..  trans-69.2141.2173.829-34.2000111.3K253 R254 I255P251-K253 VanDerWaalsContact C-N 3.26Å; P251-K253 PolarHBondContact O-N 3.3Å; P251-K253 VanDerWaalsContact O-N 3.07Å; P251-R254 HydrophobicContact CG-CB 4.33Å; P251-R254 HydrophobicContact CG-CG 3.98Å; P251-R254 PolarHBondContact O-N 3.4Å; P251-I255 PolarHBondContact O-N 2.9Å
252M82.1Confident83Confident45 Ų4565.5 Ų65.522%0.22232%0.319CS..Hα-helixtrans-50.9-38.8-175-65.8-56-57.900114.6L247 R254 I255 H256L247-M252 HydrophobicContact CD2-CE 3.88Å; L247-M252 HydrophobicContact CD2-SD 3.49Å; L247-M252 WeakPolarHBondContact CD2-SD 3.28Å; M252-R254 VanDerWaalsContact C-N 3.26Å; M252-R254 PolarHBondContact O-N 3.15Å; M252-I255 PolarHBondContact O-N 2.99Å; M252-I255 HydrophobicContact SD-CD1 4.37Å; M252-H256 WeakPolarHBondContact CE-NE2 3.27Å; M252-H256 PolarHBondContact O-CD2 2.9Å; M252-H256 PolarHBondContact O-N 3.49Å
253K85.1Confident83.6Confident186 Ų18665.3 Ų65.381%0.80932%0.315SS*.Hα-helixtrans-57.4-38.6179.8-65.8-174.3179.6-177.70112.6P251 L257P251-K253 VanDerWaalsContact C-N 3.26Å; P251-K253 PolarHBondContact O-N 3.3Å; P251-K253 VanDerWaalsContact O-N 3.07Å; K253-L257 WeakPolarHBondContact O-CB 3.13Å; K253-L257 PolarHBondContact O-N 3.41Å; K253-L257 VanDerWaalsContact O-N 3.07Å
254R87.6Confident84.6Confident103 Ų10363.2 Ų63.239%0.38930%0.298SS..Hα-helixtrans-72.1-41.5179.4-72-174.1-179.9-101-5.3111.3P251 M252 L257 F258 F300 E304P251-R254 HydrophobicContact CG-CB 4.33Å; P251-R254 HydrophobicContact CG-CG 3.98Å; P251-R254 PolarHBondContact O-N 3.4Å; M252-R254 VanDerWaalsContact C-N 3.26Å; M252-R254 PolarHBondContact O-N 3.15Å; R254-L257 PolarHBondContact O-N 3.46Å; R254-F258 PolarHBondContact O-N 3.22Å; R254-F300 HydrophobicContact CB-CE1 4.09Å; R254-F300 WeakPolarHBondContact O-CE1 3.4Å; R254-E304 WeakPolarHBondContact CD-OE1 3.13Å; R254-E304 IonicContact CZ-OE1 3.67Å; R254-E304 IonicContact CZ-OE2 3.38Å; R254-E304 IonicContact NE-OE1 4Å; R254-E304 PolarHBondContact NE-OE1 3.2Å; R254-E304 IonicContact NE-OE2 3.28Å; R254-E304 IonicContact NH1-OE1 2.77Å; R254-E304 PolarHBondContact NH1-OE1 2.87Å; R254-E304 IonicContact NH1-OE2 3.25Å; R254-E304 PolarHBondContact NH1-OE2 2.94Å
255I86.1Confident85.2Confident1 Ų162.6 Ų62.61%0.00530%0.295CS..Hα-helixtrans-61-48.1176.2-58.8172.3000110Y246 L247 L250 P251 M252 L257 F258 T259Y246-I255 HydrophobicContact CD2-CD1 4.1Å; L247-I255 HydrophobicContact CD2-CD1 3.84Å; L250-I255 HydrophobicContact CB-CD1 4.13Å; L250-I255 HydrophobicContact CB-CG1 4Å; P251-I255 PolarHBondContact O-N 2.9Å; M252-I255 PolarHBondContact O-N 2.99Å; M252-I255 HydrophobicContact SD-CD1 4.37Å; I255-L257 PolarHBondContact O-N 3.28Å; I255-F258 PolarHBondContact O-N 3.19Å; I255-T259 HydrophobicContact CG2-CG2 4.43Å; I255-T259 WeakPolarHBondContact O-CG2 3.47Å; I255-T259 PolarHBondContact O-N 2.92Å; I255-T259 PolarHBondContact O-OG1 3.26Å
256H87.7Confident85.7Confident45 Ų4568.3 Ų68.321%0.20832%0.318CS..Hα-helixtrans-62.7-41178.2-68.1-52.4000112.9M252 F258 T259 L260M252-H256 WeakPolarHBondContact CE-NE2 3.27Å; M252-H256 PolarHBondContact O-CD2 2.9Å; M252-H256 PolarHBondContact O-N 3.49Å; H256-F258 VanDerWaalsContact C-N 3.32Å; H256-F258 PolarHBondContact O-N 2.67Å; H256-T259 VanDerWaalsContact CA-OG1 3.29Å; H256-T259 WeakPolarHBondContact CA-OG1 3.21Å; H256-T259 PolarHBondContact O-N 3.32Å; H256-T259 PolarHBondContact O-OG1 3.39Å; H256-L260 WeakPolarHBondContact O-CB 3.31Å; H256-L260 VanDerWaalsContact O-CG 3.29Å; H256-L260 WeakPolarHBondContact O-CG 3.33Å; H256-L260 PolarHBondContact O-N 2.96Å
257L89Confident86.3Confident88 Ų8869.8 Ų69.846%0.46133%0.332SS..Hα-helixtrans-60.7-42.8176-179.664000111.4K253 R254 I255 T261 F300K253-L257 WeakPolarHBondContact O-CB 3.13Å; K253-L257 PolarHBondContact O-N 3.41Å; K253-L257 VanDerWaalsContact O-N 3.07Å; R254-L257 PolarHBondContact O-N 3.46Å; I255-L257 PolarHBondContact O-N 3.28Å; L257-T261 WeakPolarHBondContact O-CB 3.38Å; L257-T261 PolarHBondContact O-N 3.09Å; L257-T261 PolarHBondContact O-OG1 2.72Å; L257-F300 HydrophobicContact CB-CZ 4.15Å; L257-F300 HydrophobicContact CD2-CE2 4.46Å; L257-F300 HydrophobicContact CD2-CZ 3.99Å; L257-F300 HydrophobicContact CG-CZ 4.01Å
258F88.2Confident86.8Confident2 Ų270.1 Ų70.11%0.00934%0.336CS..Hα-helixtrans-65.6-45.9177.1178-96.6000111.8R254 I255 H256 L260 T261 Q262 L296 F300 L305 L308 D309R254-F258 PolarHBondContact O-N 3.22Å; I255-F258 PolarHBondContact O-N 3.19Å; H256-F258 VanDerWaalsContact C-N 3.32Å; H256-F258 PolarHBondContact O-N 2.67Å; F258-L260 VanDerWaalsContact C-N 3.35Å; F258-L260 PolarHBondContact O-N 2.93Å; F258-T261 WeakPolarHBondContact O-CB 3.36Å; F258-T261 PolarHBondContact O-N 3.45Å; F258-T261 VanDerWaalsContact O-N 3.11Å; F258-Q262 HydrophobicContact CD1-CG 4.05Å; F258-Q262 HydrophobicContact CE1-CG 3.75Å; F258-Q262 HydrophobicContact CZ-CG 4.05Å; F258-Q262 VanDerWaalsContact CZ-NE2 3.28Å; F258-Q262 WeakPolarHBondContact O-CG 3.3Å; F258-Q262 PolarHBondContact O-N 3.37Å; F258-L296 HydrophobicContact CD2-CD2 3.6Å; F258-L296 HydrophobicContact CE2-CD2 3.49Å; F258-L296 VanDerWaalsContact CE2-CD2 3.49Å; F258-F300 HydrophobicContact CB-CE1 4.13Å; F258-F300 HydrophobicContact CB-CE2 4.26Å; F258-F300 HydrophobicContact CB-CZ 3.69Å; F258-F300 HydrophobicContact CD2-CE2 4.33Å; F258-F300 HydrophobicContact CD2-CZ 4.49Å; F258-L305 HydrophobicContact CD2-CD1 4.43Å; F258-L305 HydrophobicContact CE2-CD1 3.73Å; F258-L308 HydrophobicContact CB-CD2 3.41Å; F258-L308 VanDerWaalsContact CB-CD2 3.41Å; F258-L308 HydrophobicContact CD1-CD1 4.15Å; F258-L308 HydrophobicContact CD1-CD2 3.13Å; F258-L308 HydrophobicContact CD1-CG 3.44Å; F258-L308 VanDerWaalsContact CD1-CG 3.44Å; F258-L308 HydrophobicContact CD2-CD2 3.67Å; F258-L308 HydrophobicContact CD2-CG 4.37Å; F258-L308 HydrophobicContact CE1-CB 4.41Å; F258-L308 HydrophobicContact CE1-CD1 4.24Å; F258-L308 HydrophobicContact CE1-CD2 3.62Å; F258-L308 HydrophobicContact CE1-CG 3.39Å; F258-L308 HydrophobicContact CE2-CD2 4.13Å; F258-L308 HydrophobicContact CE2-CG 4.36Å; F258-L308 HydrophobicContact CG-CD2 3.12Å; F258-L308 HydrophobicContact CG-CG 3.92Å; F258-L308 HydrophobicContact CZ-CB 4.48Å; F258-L308 HydrophobicContact CZ-CD2 4.1Å; F258-L308 HydrophobicContact CZ-CG 3.89Å; F258-D309 WeakPolarHBondContact CZ-OD1 3.27Å
259T87.3Confident87.1Confident4 Ų463.5 Ų63.53%0.02531%0.314CS..Hα-helixtrans-64.3-39.1179.354.10000112.2R230 I255 H256 T261 Q262 I263R230-T259 HydrophobicContact CB-CG2 3.48Å; R230-T259 VanDerWaalsContact CB-CG2 3.48Å; R230-T259 HydrophobicContact CG-CG2 4.26Å; I255-T259 HydrophobicContact CG2-CG2 4.43Å; I255-T259 WeakPolarHBondContact O-CG2 3.47Å; I255-T259 PolarHBondContact O-N 2.92Å; I255-T259 PolarHBondContact O-OG1 3.26Å; H256-T259 VanDerWaalsContact CA-OG1 3.29Å; H256-T259 WeakPolarHBondContact CA-OG1 3.21Å; H256-T259 PolarHBondContact O-N 3.32Å; H256-T259 PolarHBondContact O-OG1 3.39Å; T259-T261 VanDerWaalsContact C-N 3.27Å; T259-T261 PolarHBondContact O-N 2.95Å; T259-Q262 PolarHBondContact O-N 2.92Å; T259-I263 WeakPolarHBondContact O-CD1 3.41Å; T259-I263 WeakPolarHBondContact O-CG1 3.49Å; T259-I263 PolarHBondContact O-N 3.06Å
260L89.5Confident87.4Confident90 Ų9062 Ų6247%0.47131%0.31SS..Hα-helixtrans-62.6-38.7173.9-76.9172000111.2H256 F258 I263 F264H256-L260 WeakPolarHBondContact O-CB 3.31Å; H256-L260 VanDerWaalsContact O-CG 3.29Å; H256-L260 WeakPolarHBondContact O-CG 3.33Å; H256-L260 PolarHBondContact O-N 2.96Å; F258-L260 VanDerWaalsContact C-N 3.35Å; F258-L260 PolarHBondContact O-N 2.93Å; L260-I263 PolarHBondContact O-N 3.34Å; L260-F264 WeakPolarHBondContact O-CB 3.26Å; L260-F264 PolarHBondContact O-N 3.36Å
261T88.8Confident87.7Confident35 Ų3565.6 Ų65.622%0.21533%0.332CS..Hα-helixtrans-67.5-40176.7-52.70000111.6L257 F258 T259 F264 F265 L296L257-T261 WeakPolarHBondContact O-CB 3.38Å; L257-T261 PolarHBondContact O-N 3.09Å; L257-T261 PolarHBondContact O-OG1 2.72Å; F258-T261 WeakPolarHBondContact O-CB 3.36Å; F258-T261 PolarHBondContact O-N 3.45Å; F258-T261 VanDerWaalsContact O-N 3.11Å; T259-T261 VanDerWaalsContact C-N 3.27Å; T259-T261 PolarHBondContact O-N 2.95Å; T261-F264 WeakPolarHBondContact O-CB 3.18Å; T261-F264 PolarHBondContact O-N 3.42Å; T261-F265 HydrophobicContact CG2-CD2 3.93Å; T261-F265 HydrophobicContact CG2-CE2 3.6Å; T261-F265 WeakPolarHBondContact O-CD2 3.24Å; T261-F265 PolarHBondContact O-N 2.87Å; T261-F265 VanDerWaalsContact O-N 3.08Å; T261-L296 HydrophobicContact CG2-CD1 3.69Å; T261-L296 HydrophobicContact CG2-CG 4.46Å
262Q87.8Confident87.8Confident58 Ų5862.7 Ų62.727%0.27131%0.313SS..Hα-helixtrans-63.1-45.3173-71.3-174-44.200112.1F258 T259 F264 F265 F266F258-Q262 HydrophobicContact CD1-CG 4.05Å; F258-Q262 HydrophobicContact CE1-CG 3.75Å; F258-Q262 HydrophobicContact CZ-CG 4.05Å; F258-Q262 VanDerWaalsContact CZ-NE2 3.28Å; F258-Q262 WeakPolarHBondContact O-CG 3.3Å; F258-Q262 PolarHBondContact O-N 3.37Å; T259-Q262 PolarHBondContact O-N 2.92Å; Q262-F264 VanDerWaalsContact C-N 3.32Å; Q262-F264 PolarHBondContact O-N 3.21Å; Q262-F265 PolarHBondContact O-N 3.46Å; Q262-F266 WeakPolarHBondContact O-CB 3.34Å; Q262-F266 PolarHBondContact O-N 3.05Å
263I88.1Confident87.8Confident57 Ų5765.3 Ų65.329%0.29233%0.328SS..Hα-helixtrans-61-43176-67.2163.6000110.1I231 T259 L260 F265 F266 C267I231-I263 HydrophobicContact CD1-CD1 4.42Å; I231-I263 HydrophobicContact CD1-CG1 4.3Å; I231-I263 HydrophobicContact CG1-CD1 4.06Å; I231-I263 HydrophobicContact CG1-CG1 4.33Å; T259-I263 WeakPolarHBondContact O-CD1 3.41Å; T259-I263 WeakPolarHBondContact O-CG1 3.49Å; T259-I263 PolarHBondContact O-N 3.06Å; L260-I263 PolarHBondContact O-N 3.34Å; I263-F265 PolarHBondContact O-N 2.86Å; I263-F266 PolarHBondContact O-N 3.34Å; I263-C267 WeakPolarHBondContact O-CB 3.32Å; I263-C267 PolarHBondContact O-N 3.02Å; I263-C267 PolarHBondContact O-SG 3Å
264F90.5Very high87.8Confident127 Ų12765.8 Ų65.856%0.55733%0.326SS*.Hα-helixtrans-56.9-50.7176.1171.6-99.3000111.8L260 T261 Q262 F266 C267 V268L260-F264 WeakPolarHBondContact O-CB 3.26Å; L260-F264 PolarHBondContact O-N 3.36Å; T261-F264 WeakPolarHBondContact O-CB 3.18Å; T261-F264 PolarHBondContact O-N 3.42Å; Q262-F264 VanDerWaalsContact C-N 3.32Å; Q262-F264 PolarHBondContact O-N 3.21Å; F264-F266 VanDerWaalsContact C-N 3.34Å; F264-F266 PolarHBondContact O-N 2.92Å; F264-C267 PolarHBondContact O-N 3.33Å; F264-V268 HydrophobicContact CE1-CG2 4.18Å; F264-V268 HydrophobicContact CE2-CG2 4.29Å; F264-V268 HydrophobicContact CZ-CG2 4.03Å; F264-V268 WeakPolarHBondContact O-CG2 3.49Å; F264-V268 PolarHBondContact O-N 2.98Å
265F89.7Confident87.6Confident38 Ų3863.3 Ų63.317%0.16732%0.322CS..Hα-helixtrans-65.1-35.9177.8-77.4-56.7000113.1T261 Q262 I263 V268 L269 L289 G292 L296T261-F265 HydrophobicContact CG2-CD2 3.93Å; T261-F265 HydrophobicContact CG2-CE2 3.6Å; T261-F265 WeakPolarHBondContact O-CD2 3.24Å; T261-F265 PolarHBondContact O-N 2.87Å; T261-F265 VanDerWaalsContact O-N 3.08Å; Q262-F265 PolarHBondContact O-N 3.46Å; I263-F265 PolarHBondContact O-N 2.86Å; F265-V268 PolarHBondContact O-N 3.42Å; F265-L269 PolarHBondContact O-N 2.85Å; F265-L289 HydrophobicContact CB-CD2 3.62Å; F265-L289 HydrophobicContact CD1-CD2 3.64Å; F265-L289 HydrophobicContact CG-CD2 3.84Å; F265-G292 VanDerWaalsContact CZ-CA 3.46Å; F265-L296 HydrophobicContact CE2-CD1 3.98Å
266F87Confident87.2Confident134 Ų13469.3 Ų69.359%0.58835%0.354SS*.Hα-helixtrans-64.2-44.6173.1-180-104.1000111.6Q262 I263 F264 V268 L269 C270Q262-F266 WeakPolarHBondContact O-CB 3.34Å; Q262-F266 PolarHBondContact O-N 3.05Å; I263-F266 PolarHBondContact O-N 3.34Å; F264-F266 VanDerWaalsContact C-N 3.34Å; F264-F266 PolarHBondContact O-N 2.92Å; F266-V268 VanDerWaalsContact C-N 3.34Å; F266-V268 PolarHBondContact O-N 3.47Å; F266-L269 WeakPolarHBondContact O-CB 3.48Å; F266-L269 PolarHBondContact O-N 3.37Å; F266-L269 VanDerWaalsContact O-N 3.17Å; F266-C270 WeakPolarHBondContact CE1-SG 3.28Å; F266-C270 WeakPolarHBondContact CZ-SG 3.35Å; F266-C270 PolarHBondContact O-N 3.49Å; F266-C270 PolarHBondContact O-SG 3.24Å; F266-C270 VanDerWaalsContact O-SG 3.34Å
267C89.4Confident86.8Confident63 Ų6372.4 Ų72.443%0.42638%0.376SS..Hα-helixtrans-61.2-41.7175.1-71.40000111.9I263 F264 L269 C270 V271I263-C267 WeakPolarHBondContact O-CB 3.32Å; I263-C267 PolarHBondContact O-N 3.02Å; I263-C267 PolarHBondContact O-SG 3Å; F264-C267 PolarHBondContact O-N 3.33Å; C267-L269 VanDerWaalsContact C-N 3.31Å; C267-L269 PolarHBondContact O-N 3.41Å; C267-C270 PolarHBondContact O-N 2.81Å; C267-V271 WeakPolarHBondContact O-CG2 3.48Å; C267-V271 PolarHBondContact O-N 2.9Å
268V89.1Confident86.4Confident37 Ų3771.2 Ų71.222%0.22437%0.37CS..Hα-helixtrans-58.5-44.9174.2170.20000110.8F264 F265 F266 V271 V272 T285 L288F264-V268 HydrophobicContact CE1-CG2 4.18Å; F264-V268 HydrophobicContact CE2-CG2 4.29Å; F264-V268 HydrophobicContact CZ-CG2 4.03Å; F264-V268 WeakPolarHBondContact O-CG2 3.49Å; F264-V268 PolarHBondContact O-N 2.98Å; F265-V268 PolarHBondContact O-N 3.42Å; F266-V268 VanDerWaalsContact C-N 3.34Å; F266-V268 PolarHBondContact O-N 3.47Å; V268-V271 PolarHBondContact O-N 2.94Å; V268-V272 WeakPolarHBondContact O-CG2 3.35Å; V268-V272 PolarHBondContact O-N 3.48Å; V268-T285 HydrophobicContact CG1-CG2 4.21Å; V268-L288 HydrophobicContact CG1-CD2 4.24Å
269L87.3Confident86Confident45 Ų4576.2 Ų76.224%0.23639%0.393CS..Hα-helixtrans-63.2-44175.1-79.4169.1000112.7F265 F266 C267 V271 V272 N273 T285 L289F265-L269 PolarHBondContact O-N 2.85Å; F266-L269 WeakPolarHBondContact O-CB 3.48Å; F266-L269 PolarHBondContact O-N 3.37Å; F266-L269 VanDerWaalsContact O-N 3.17Å; C267-L269 VanDerWaalsContact C-N 3.31Å; C267-L269 PolarHBondContact O-N 3.41Å; L269-V271 PolarHBondContact O-N 3.15Å; L269-V272 PolarHBondContact O-N 3.17Å; L269-N273 VanDerWaalsContact O-CB 3.29Å; L269-N273 WeakPolarHBondContact O-CB 3.11Å; L269-N273 PolarHBondContact O-N 2.98Å; L269-T285 HydrophobicContact CD2-CG2 3.59Å; L269-T285 HydrophobicContact CG-CG2 4.33Å; L269-L289 HydrophobicContact CD1-CD1 3.47Å; L269-L289 VanDerWaalsContact CD1-CD1 3.47Å; L269-L289 HydrophobicContact CD1-CD2 4.19Å; L269-L289 HydrophobicContact CD1-CG 4.38Å; L269-L289 HydrophobicContact CD2-CD1 3.86Å; L269-L289 HydrophobicContact CG-CD1 3.9Å; L269-L289 HydrophobicContact CG-CD2 4.31Å; L269-L289 HydrophobicContact CG-CG 4.47Å
270C87.4Confident85.8Confident55 Ų5581.3 Ų81.337%0.37242%0.419SS..Hα-helixtrans-61.8-42.5177.9-71.80000111.8F266 C267 N273 Y274F266-C270 WeakPolarHBondContact CE1-SG 3.28Å; F266-C270 WeakPolarHBondContact CZ-SG 3.35Å; F266-C270 PolarHBondContact O-N 3.49Å; F266-C270 PolarHBondContact O-SG 3.24Å; F266-C270 VanDerWaalsContact O-SG 3.34Å; C267-C270 PolarHBondContact O-N 2.81Å; C270-N273 PolarHBondContact O-N 2.81Å; C270-Y274 WeakPolarHBondContact O-CB 3.15Å; C270-Y274 PolarHBondContact O-N 2.91Å
271V88Confident85.5Confident89 Ų8980.9 Ų80.954%0.53941%0.413SS..Hα-helixtrans-65.3-43.8178171.10000111.1C267 V268 L269 N273 Y274 V275C267-V271 WeakPolarHBondContact O-CG2 3.48Å; C267-V271 PolarHBondContact O-N 2.9Å; V268-V271 PolarHBondContact O-N 2.94Å; L269-V271 PolarHBondContact O-N 3.15Å; V271-N273 VanDerWaalsContact C-N 3.33Å; V271-N273 PolarHBondContact O-N 3.24Å; V271-Y274 PolarHBondContact O-N 3.49Å; V271-V275 WeakPolarHBondContact O-CG2 3.21Å; V271-V275 PolarHBondContact O-N 3.21Å
272V87.5Confident85.3Confident15 Ų1583.3 Ų83.39%0.09142%0.421CS..Hα-helixtrans-63.3-40.7177.3166.30000111.5V268 L269 I278 T285V268-V272 WeakPolarHBondContact O-CG2 3.35Å; V268-V272 PolarHBondContact O-N 3.48Å; L269-V272 PolarHBondContact O-N 3.17Å; V272-I278 HydrophobicContact CB-CG2 4.35Å; V272-I278 HydrophobicContact CG1-CG2 4.13Å; V272-I278 HydrophobicContact CG2-CG2 4.04Å; V272-T285 HydrophobicContact CB-CG2 4.39Å; V272-T285 HydrophobicContact CG1-CG2 4.48Å; V272-T285 WeakPolarHBondContact CG1-OG1 3.3Å; V272-T285 HydrophobicContact CG2-CG2 4.06Å
273N83.2Confident85.2Confident99 Ų9982.7 Ų82.753%0.52942%0.422SS..Hα-helixtrans-76.8-30-179.4-170.6-88.6000112.8L269 C270 V271 V275L269-N273 VanDerWaalsContact O-CB 3.29Å; L269-N273 WeakPolarHBondContact O-CB 3.11Å; L269-N273 PolarHBondContact O-N 2.98Å; C270-N273 PolarHBondContact O-N 2.81Å; V271-N273 VanDerWaalsContact C-N 3.33Å; V271-N273 PolarHBondContact O-N 3.24Å; N273-V275 VanDerWaalsContact C-N 3.34Å
274Y85.1Confident85Confident197 Ų19782.4 Ų82.477%0.77342%0.421SS*.Hα-helixtrans-71.9-28.9178.8-179.5-99.7000112.9C270 V271C270-Y274 WeakPolarHBondContact O-CB 3.15Å; C270-Y274 PolarHBondContact O-N 2.91Å; V271-Y274 PolarHBondContact O-N 3.49Å
275V83.9Confident84.9Confident50 Ų5076.8 Ų76.830%0.30340%0.397SS..  trans-98.3105.1-179.5-175.70000109.6V271 N273 V277 I278 E279V271-V275 WeakPolarHBondContact O-CG2 3.21Å; V271-V275 PolarHBondContact O-N 3.21Å; N273-V275 VanDerWaalsContact C-N 3.34Å; V275-V277 HydrophobicContact CG1-CB 4.16Å; V275-V277 PolarHBondContact O-N 2.85Å; V275-I278 HydrophobicContact CB-CB 4.19Å; V275-I278 HydrophobicContact CB-CD1 3.9Å; V275-I278 HydrophobicContact CB-CG1 3.98Å; V275-I278 HydrophobicContact CG1-CB 4.31Å; V275-I278 HydrophobicContact CG1-CD1 3.84Å; V275-I278 HydrophobicContact CG1-CG1 3.7Å; V275-I278 HydrophobicContact CG2-CD1 4.24Å; V275-I278 WeakPolarHBondContact O-CA 3.42Å; V275-I278 PolarHBondContact O-N 2.84Å; V275-E279 PolarHBondContact O-N 2.95Å; V275-E279 VanDerWaalsContact O-N 3.14Å
276D77.3Confident84.8Confident127 Ų12778.5 Ų78.568%0.67941%0.407SS*.Hα-helixtrans-52.2-34.1179.9-58.5-25.3000113.2I278 E279D276-I278 VanDerWaalsContact C-N 3.29Å; D276-I278 PolarHBondContact O-N 3.29Å; D276-E279 WeakPolarHBondContact O-CB 3.41Å; D276-E279 PolarHBondContact O-N 2.96Å
277V78.1Confident84.8Confident111 Ų11173 Ų7367%0.67338%0.384SS*.Hα-helixtrans-66.8-32.2178-173.90000112V275V275-V277 HydrophobicContact CG1-CB 4.16Å; V275-V277 PolarHBondContact O-N 2.85Å
278I80.4Confident84.8Confident63 Ų6374.2 Ų74.232%0.32339%0.386SS..Hα-helixtrans-91.4-13.8-177.5-52.7175.6000110.9V272 V275 D276 I280 F281V272-I278 HydrophobicContact CB-CG2 4.35Å; V272-I278 HydrophobicContact CG1-CG2 4.13Å; V272-I278 HydrophobicContact CG2-CG2 4.04Å; V275-I278 HydrophobicContact CB-CB 4.19Å; V275-I278 HydrophobicContact CB-CD1 3.9Å; V275-I278 HydrophobicContact CB-CG1 3.98Å; V275-I278 HydrophobicContact CG1-CB 4.31Å; V275-I278 HydrophobicContact CG1-CD1 3.84Å; V275-I278 HydrophobicContact CG1-CG1 3.7Å; V275-I278 HydrophobicContact CG2-CD1 4.24Å; V275-I278 WeakPolarHBondContact O-CA 3.42Å; V275-I278 PolarHBondContact O-N 2.84Å; D276-I278 VanDerWaalsContact C-N 3.29Å; D276-I278 PolarHBondContact O-N 3.29Å; I278-I280 PolarHBondContact O-N 2.85Å; I278-I280 VanDerWaalsContact O-N 3.07Å; I278-F281 HydrophobicContact CG2-CB 4.3Å; I278-F281 HydrophobicContact CG2-CD2 4.2Å; I278-F281 WeakPolarHBondContact O-CA 3.25Å; I278-F281 VanDerWaalsContact O-CB 3.3Å; I278-F281 WeakPolarHBondContact O-CB 3.25Å; I278-F281 PolarHBondContact O-N 3.47Å
279E80.6Confident84.8Confident106 Ų10674.5 Ų74.550%0.49539%0.386SS..Hα-helixtrans-54.5-32.6178.7-168.8-175.4177.600112.7V275 D276 F281 F282V275-E279 PolarHBondContact O-N 2.95Å; V275-E279 VanDerWaalsContact O-N 3.14Å; D276-E279 WeakPolarHBondContact O-CB 3.41Å; D276-E279 PolarHBondContact O-N 2.96Å; E279-F281 PolarHBondContact O-N 2.9Å; E279-F282 WeakPolarHBondContact O-CB 3.27Å; E279-F282 PolarHBondContact O-N 3.31Å
280I82.6Confident84.8Confident112 Ų11278.1 Ų78.157%0.57440%0.404SS*.THydrogen-bonded Turntrans-54.9-28.8174.5-62.3164.9000111.9I278 F282I278-I280 PolarHBondContact O-N 2.85Å; I278-I280 VanDerWaalsContact O-N 3.07Å; I280-F282 VanDerWaalsContact C-N 3.34Å
281F83.1Confident84.9Confident80 Ų8079.8 Ų79.835%0.35141%0.409SS..THydrogen-bonded Turntrans-85.70.2178.1-63.4-101.2000113.8L72 I278 E279 P283 L284 T285L72-F281 HydrophobicContact CD1-CD1 3.93Å; L72-F281 HydrophobicContact CD1-CE1 3.55Å; L72-F281 HydrophobicContact CD2-CD1 3.92Å; L72-F281 HydrophobicContact CD2-CE1 3.06Å; L72-F281 HydrophobicContact CD2-CE2 4.2Å; L72-F281 HydrophobicContact CD2-CZ 3.22Å; L72-F281 HydrophobicContact CG-CE1 3.92Å; L72-F281 HydrophobicContact CG-CZ 4.48Å; I278-F281 HydrophobicContact CG2-CB 4.3Å; I278-F281 HydrophobicContact CG2-CD2 4.2Å; I278-F281 WeakPolarHBondContact O-CA 3.25Å; I278-F281 VanDerWaalsContact O-CB 3.3Å; I278-F281 WeakPolarHBondContact O-CB 3.25Å; I278-F281 PolarHBondContact O-N 3.47Å; E279-F281 PolarHBondContact O-N 2.9Å; F281-P283 VanDerWaalsContact C-N 3.29Å; F281-P283 VanDerWaalsContact O-N 3.14Å; F281-L284 HydrophobicContact CD1-CD1 3.98Å; F281-L284 WeakPolarHBondContact O-CA 3.37Å; F281-L284 WeakPolarHBondContact O-CB 3.29Å; F281-L284 PolarHBondContact O-N 3.28Å; F281-T285 PolarHBondContact O-N 2.9Å; F281-T285 PolarHBondContact O-OG1 3.2Å
282F85.9Confident85Confident86 Ų8675.8 Ų75.838%0.37739%0.385SS..Hα-helixtrans-46.9-44-180175-100.7000113.8E279 I280 L284 T285 L286E279-F282 WeakPolarHBondContact O-CB 3.27Å; E279-F282 PolarHBondContact O-N 3.31Å; I280-F282 VanDerWaalsContact C-N 3.34Å; F282-L284 VanDerWaalsContact C-N 3.31Å; F282-L284 PolarHBondContact O-N 2.87Å; F282-T285 WeakPolarHBondContact O-CB 3.34Å; F282-T285 PolarHBondContact O-N 3.46Å; F282-T285 VanDerWaalsContact O-N 3.11Å; F282-L286 HydrophobicContact CD1-CD1 4.31Å; F282-L286 HydrophobicContact CE1-CD1 3.66Å; F282-L286 HydrophobicContact CE1-CG 4.12Å; F282-L286 HydrophobicContact CE2-CD2 4.33Å; F282-L286 HydrophobicContact CE2-CG 4.47Å; F282-L286 HydrophobicContact CZ-CD1 3.94Å; F282-L286 HydrophobicContact CZ-CD2 4.03Å; F282-L286 HydrophobicContact CZ-CG 4.06Å; F282-L286 PolarHBondContact O-N 3.02Å
283P84.9Confident84.9Confident45 Ų4582.3 Ų82.329%0.29241%0.408SS..Hα-helixtrans-64.1-34.1177.9-16.830.1000113F65 L68 F281 L286 I287F65-P283 HydrophobicContact CD1-CB 4.05Å; F65-P283 HydrophobicContact CE1-CB 3.55Å; L68-P283 HydrophobicContact CD1-CB 3.99Å; L68-P283 HydrophobicContact CD1-CG 3.81Å; F281-P283 VanDerWaalsContact C-N 3.29Å; F281-P283 VanDerWaalsContact O-N 3.14Å; P283-L286 PolarHBondContact O-N 2.63Å; P283-I287 WeakPolarHBondContact O-CD1 3.29Å; P283-I287 VanDerWaalsContact O-CG1 3.29Å; P283-I287 WeakPolarHBondContact O-CG1 3.23Å; P283-I287 PolarHBondContact O-N 3.45Å
284L84.9Confident85.2Confident52 Ų5285.3 Ų85.327%0.27242%0.416SS..Hα-helixtrans-69.7-34.8172.7-70.3-178.5000112.5L68 L72 F281 F282 L286 I287 L288L68-L284 HydrophobicContact CD1-CG 4.19Å; L68-L284 HydrophobicContact CD2-CD1 3.38Å; L68-L284 HydrophobicContact CD2-CD2 3.85Å; L68-L284 HydrophobicContact CD2-CG 3.41Å; L68-L284 VanDerWaalsContact CD2-CG 3.41Å; L68-L284 HydrophobicContact CG-CG 4.49Å; L72-L284 HydrophobicContact CD1-CD1 3.43Å; L72-L284 VanDerWaalsContact CD1-CD1 3.43Å; F281-L284 HydrophobicContact CD1-CD1 3.98Å; F281-L284 WeakPolarHBondContact O-CA 3.37Å; F281-L284 WeakPolarHBondContact O-CB 3.29Å; F281-L284 PolarHBondContact O-N 3.28Å; F282-L284 VanDerWaalsContact C-N 3.31Å; F282-L284 PolarHBondContact O-N 2.87Å; L284-L286 VanDerWaalsContact C-N 3.32Å; L284-L286 PolarHBondContact O-N 2.92Å; L284-I287 HydrophobicContact CD2-CD1 3.81Å; L284-I287 WeakPolarHBondContact O-CB 3.21Å; L284-I287 PolarHBondContact O-N 3.47Å; L284-I287 VanDerWaalsContact O-N 3.16Å; L284-L288 PolarHBondContact O-N 2.85Å
285T87.5Confident85.3Confident9 Ų980.8 Ų80.86%0.05541%0.405CS..Hα-helixtrans-64-39.5175.5-49.40000110.9V268 L269 V272 F281 F282 I287 L288 L289V268-T285 HydrophobicContact CG1-CG2 4.21Å; L269-T285 HydrophobicContact CD2-CG2 3.59Å; L269-T285 HydrophobicContact CG-CG2 4.33Å; V272-T285 HydrophobicContact CB-CG2 4.39Å; V272-T285 HydrophobicContact CG1-CG2 4.48Å; V272-T285 WeakPolarHBondContact CG1-OG1 3.3Å; V272-T285 HydrophobicContact CG2-CG2 4.06Å; F281-T285 PolarHBondContact O-N 2.9Å; F281-T285 PolarHBondContact O-OG1 3.2Å; F282-T285 WeakPolarHBondContact O-CB 3.34Å; F282-T285 PolarHBondContact O-N 3.46Å; F282-T285 VanDerWaalsContact O-N 3.11Å; T285-I287 VanDerWaalsContact C-N 3.29Å; T285-I287 PolarHBondContact O-N 2.91Å; T285-L288 WeakPolarHBondContact O-CB 3.23Å; T285-L288 PolarHBondContact O-N 2.8Å; T285-L289 WeakPolarHBondContact O-CG 3.26Å; T285-L289 PolarHBondContact O-N 3.11Å
286L87.4Confident85.5Confident73 Ų7379.3 Ų79.338%0.38240%0.395SS..Hα-helixtrans-60.2-39172.3-66.8-178.4000112.3F282 P283 L284 L289 I290F282-L286 HydrophobicContact CD1-CD1 4.31Å; F282-L286 HydrophobicContact CE1-CD1 3.66Å; F282-L286 HydrophobicContact CE1-CG 4.12Å; F282-L286 HydrophobicContact CE2-CD2 4.33Å; F282-L286 HydrophobicContact CE2-CG 4.47Å; F282-L286 HydrophobicContact CZ-CD1 3.94Å; F282-L286 HydrophobicContact CZ-CD2 4.03Å; F282-L286 HydrophobicContact CZ-CG 4.06Å; F282-L286 PolarHBondContact O-N 3.02Å; P283-L286 PolarHBondContact O-N 2.63Å; L284-L286 VanDerWaalsContact C-N 3.32Å; L284-L286 PolarHBondContact O-N 2.92Å; L286-L289 HydrophobicContact CD2-CD1 4.26Å; L286-L289 WeakPolarHBondContact O-CB 3.1Å; L286-L289 PolarHBondContact O-N 3.44Å; L286-I290 WeakPolarHBondContact O-CG1 3.36Å; L286-I290 PolarHBondContact O-N 2.86Å; L286-I290 VanDerWaalsContact O-N 3.08Å
287I86.9Confident85.9Confident19 Ų1978.6 Ų78.610%0.09739%0.386CS..Hα-helixtrans-65.5-44176.2-61.9162.4000110.7F61 F65 P283 L284 T285 L289 I290 I291F61-I287 HydrophobicContact CE2-CB 4.4Å; F61-I287 HydrophobicContact CE2-CD1 3.43Å; F61-I287 VanDerWaalsContact CE2-CD1 3.43Å; F61-I287 HydrophobicContact CE2-CG1 3.67Å; F61-I287 HydrophobicContact CE2-CG2 3.82Å; F61-I287 HydrophobicContact CZ-CB 4.47Å; F61-I287 HydrophobicContact CZ-CD1 3.36Å; F61-I287 HydrophobicContact CZ-CG1 3.99Å; F61-I287 HydrophobicContact CZ-CG2 3.74Å; F65-I287 HydrophobicContact CD1-CD1 3.96Å; F65-I287 HydrophobicContact CD2-CD1 3.79Å; F65-I287 HydrophobicContact CE1-CD1 3.63Å; F65-I287 HydrophobicContact CE1-CG1 4.37Å; F65-I287 HydrophobicContact CE2-CD1 3.5Å; F65-I287 HydrophobicContact CE2-CG1 4.1Å; F65-I287 HydrophobicContact CG-CD1 4.04Å; F65-I287 HydrophobicContact CZ-CD1 3.41Å; F65-I287 VanDerWaalsContact CZ-CD1 3.41Å; F65-I287 HydrophobicContact CZ-CG1 3.84Å; P283-I287 WeakPolarHBondContact O-CD1 3.29Å; P283-I287 VanDerWaalsContact O-CG1 3.29Å; P283-I287 WeakPolarHBondContact O-CG1 3.23Å; P283-I287 PolarHBondContact O-N 3.45Å; L284-I287 HydrophobicContact CD2-CD1 3.81Å; L284-I287 WeakPolarHBondContact O-CB 3.21Å; L284-I287 PolarHBondContact O-N 3.47Å; L284-I287 VanDerWaalsContact O-N 3.16Å; T285-I287 VanDerWaalsContact C-N 3.29Å; T285-I287 PolarHBondContact O-N 2.91Å; I287-L289 PolarHBondContact O-N 3.25Å; I287-I290 PolarHBondContact O-N 3.25Å; I287-I291 HydrophobicContact CG2-CD1 3.83Å; I287-I291 HydrophobicContact CG2-CG1 4.33Å; I287-I291 WeakPolarHBondContact O-CG1 3.44Å; I287-I291 PolarHBondContact O-N 3.39Å
288L88.9Confident86.3Confident88 Ų8882.9 Ų82.946%0.46139%0.392SS..Hα-helixtrans-57-37.9175.3179.865.2000111.2V268 L284 T285 G292V268-L288 HydrophobicContact CG1-CD2 4.24Å; L284-L288 PolarHBondContact O-N 2.85Å; T285-L288 WeakPolarHBondContact O-CB 3.23Å; T285-L288 PolarHBondContact O-N 2.8Å; L288-G292 WeakPolarHBondContact O-CA 3.34Å; L288-G292 PolarHBondContact O-N 3.07Å
289L89.2Confident86.6Confident43 Ų4386.5 Ų86.523%0.22541%0.405CS..Hα-helixtrans-66.1-41.1173.4-63.5177.2000113F265 L269 T285 L286 I287 G292 R293F265-L289 HydrophobicContact CB-CD2 3.62Å; F265-L289 HydrophobicContact CD1-CD2 3.64Å; F265-L289 HydrophobicContact CG-CD2 3.84Å; L269-L289 HydrophobicContact CD1-CD1 3.47Å; L269-L289 VanDerWaalsContact CD1-CD1 3.47Å; L269-L289 HydrophobicContact CD1-CD2 4.19Å; L269-L289 HydrophobicContact CD1-CG 4.38Å; L269-L289 HydrophobicContact CD2-CD1 3.86Å; L269-L289 HydrophobicContact CG-CD1 3.9Å; L269-L289 HydrophobicContact CG-CD2 4.31Å; L269-L289 HydrophobicContact CG-CG 4.47Å; T285-L289 WeakPolarHBondContact O-CG 3.26Å; T285-L289 PolarHBondContact O-N 3.11Å; L286-L289 HydrophobicContact CD2-CD1 4.26Å; L286-L289 WeakPolarHBondContact O-CB 3.1Å; L286-L289 PolarHBondContact O-N 3.44Å; I287-L289 PolarHBondContact O-N 3.25Å; L289-G292 PolarHBondContact O-N 2.89Å; L289-R293 WeakPolarHBondContact O-CB 3.24Å; L289-R293 PolarHBondContact O-N 3.31Å
290I87.9Confident86.9Confident121 Ų12181.9 Ų81.962%0.62138%0.384SS*.Hα-helixtrans-64.2-44.3177.5-66167.4000110.3L286 I287 R293 K294L286-I290 WeakPolarHBondContact O-CG1 3.36Å; L286-I290 PolarHBondContact O-N 2.86Å; L286-I290 VanDerWaalsContact O-N 3.08Å; I287-I290 PolarHBondContact O-N 3.25Å; I290-R293 PolarHBondContact O-N 2.92Å; I290-K294 PolarHBondContact O-N 2.94Å
291I89.2Confident86.9Confident91 Ų9179.9 Ų79.947%0.46738%0.379SS..Hα-helixtrans-64.3-44.8175.2-65171.3000109.9I287 R293 K294 L295I287-I291 HydrophobicContact CG2-CD1 3.83Å; I287-I291 HydrophobicContact CG2-CG1 4.33Å; I287-I291 WeakPolarHBondContact O-CG1 3.44Å; I287-I291 PolarHBondContact O-N 3.39Å; I291-R293 PolarHBondContact O-N 2.98Å; I291-K294 CarbonylContact O-C 3.57Å; I291-K294 WeakPolarHBondContact O-CA 3.29Å; I291-K294 WeakPolarHBondContact O-CB 3.05Å; I291-K294 PolarHBondContact O-N 3.49Å; I291-L295 HydrophobicContact CG2-CD1 4.2Å; I291-L295 HydrophobicContact CG2-CG 4.45Å; I291-L295 WeakPolarHBondContact O-CG 3.43Å; I291-L295 PolarHBondContact O-N 3.41Å
292G89.4Confident86.9Confident4 Ų481.9 Ų81.94%0.04139%0.39CS..Hα-helixtrans-54.8-47.8174.800000112.3F265 L288 L289 K294 L295 L296F265-G292 VanDerWaalsContact CZ-CA 3.46Å; L288-G292 WeakPolarHBondContact O-CA 3.34Å; L288-G292 PolarHBondContact O-N 3.07Å; L289-G292 PolarHBondContact O-N 2.89Å; G292-K294 VanDerWaalsContact C-N 3.32Å; G292-K294 PolarHBondContact O-N 3.48Å; G292-L295 WeakPolarHBondContact O-CB 3.47Å; G292-L295 PolarHBondContact O-N 3.19Å; G292-L295 VanDerWaalsContact O-N 3.13Å; G292-L296 WeakPolarHBondContact O-CD1 3.34Å; G292-L296 PolarHBondContact O-N 3.44Å
293R87.4Confident86.7Confident152 Ų15285.4 Ų85.457%0.57441%0.405SS*.Hα-helixtrans-61.3-38.8174.6-173.4174.7-171.7177.53.3112.2L289 I290 I291 L295 L296 D309L289-R293 WeakPolarHBondContact O-CB 3.24Å; L289-R293 PolarHBondContact O-N 3.31Å; I290-R293 PolarHBondContact O-N 2.92Å; I291-R293 PolarHBondContact O-N 2.98Å; R293-L295 VanDerWaalsContact C-N 3.34Å; R293-L296 WeakPolarHBondContact O-CB 3.34Å; R293-L296 PolarHBondContact O-N 2.91Å; R293-D309 IonicContact CZ-OD2 3.57Å; R293-D309 IonicContact NE-OD2 3.62Å; R293-D309 IonicContact NH2-OD2 2.78Å; R293-D309 PolarHBondContact NH2-OD2 2.81Å
294K87.7Confident86.8Confident162 Ų16284.9 Ų84.970%0.70440%0.399SS*.Hα-helixtrans-66.8-36.5175.1-170176.1179.2-174.80111.8I290 I291 G292 L296 K297I290-K294 PolarHBondContact O-N 2.94Å; I291-K294 CarbonylContact O-C 3.57Å; I291-K294 WeakPolarHBondContact O-CA 3.29Å; I291-K294 WeakPolarHBondContact O-CB 3.05Å; I291-K294 PolarHBondContact O-N 3.49Å; G292-K294 VanDerWaalsContact C-N 3.32Å; G292-K294 PolarHBondContact O-N 3.48Å; K294-L296 VanDerWaalsContact C-N 3.33Å; K294-K297 WeakPolarHBondContact O-CB 3.3Å; K294-K297 PolarHBondContact O-N 3.32Å
295L88.9Confident86.7Confident103 Ų10382.9 Ų82.954%0.53939%0.388SS..Hα-helixtrans-67.7-31.3174-69.2171.6000112.1I291 G292 R293 K297 Y298I291-L295 HydrophobicContact CG2-CD1 4.2Å; I291-L295 HydrophobicContact CG2-CG 4.45Å; I291-L295 WeakPolarHBondContact O-CG 3.43Å; I291-L295 PolarHBondContact O-N 3.41Å; G292-L295 WeakPolarHBondContact O-CB 3.47Å; G292-L295 PolarHBondContact O-N 3.19Å; G292-L295 VanDerWaalsContact O-N 3.13Å; R293-L295 VanDerWaalsContact C-N 3.34Å; L295-K297 PolarHBondContact O-N 3.47Å; L295-Y298 VanDerWaalsContact O-CB 3.26Å; L295-Y298 WeakPolarHBondContact O-CB 3.49Å; L295-Y298 PolarHBondContact O-N 3.23Å
296L88Confident86.5Confident18 Ų1885.6 Ų85.69%0.09441%0.407CS..Hα-helixtrans-58.3-32.3172.9-97.576.2000112.7F258 T261 F265 G292 R293 K294 Y298 F299 F300 L305F258-L296 HydrophobicContact CD2-CD2 3.6Å; F258-L296 HydrophobicContact CE2-CD2 3.49Å; F258-L296 VanDerWaalsContact CE2-CD2 3.49Å; T261-L296 HydrophobicContact CG2-CD1 3.69Å; T261-L296 HydrophobicContact CG2-CG 4.46Å; F265-L296 HydrophobicContact CE2-CD1 3.98Å; G292-L296 WeakPolarHBondContact O-CD1 3.34Å; G292-L296 PolarHBondContact O-N 3.44Å; R293-L296 WeakPolarHBondContact O-CB 3.34Å; R293-L296 PolarHBondContact O-N 2.91Å; K294-L296 VanDerWaalsContact C-N 3.33Å; L296-Y298 PolarHBondContact O-N 3.46Å; L296-Y298 VanDerWaalsContact O-N 3.16Å; L296-F299 PolarHBondContact O-N 2.88Å; L296-F299 VanDerWaalsContact O-N 3.11Å; L296-F300 HydrophobicContact CG-CD2 4.35Å; L296-F300 PolarHBondContact O-N 3.49Å; L296-L305 HydrophobicContact CD2-CD1 4.25Å
297K85.8Confident86.1Confident112 Ų11284.1 Ų84.149%0.48740%0.399SS..Hα-helixtrans-63.1-16.7174.6-66.2-167.9162.9-145.10113.8K294 L295 F300 E302 L305K294-K297 WeakPolarHBondContact O-CB 3.3Å; K294-K297 PolarHBondContact O-N 3.32Å; L295-K297 PolarHBondContact O-N 3.47Å; K297-F300 CarbonylContact C-O 3.58Å; K297-F300 VanDerWaalsContact O-O 3.13Å; K297-E302 IonicContact NZ-OE1 2.85Å; K297-E302 PolarHBondContact NZ-OE1 2.91Å; K297-L305 HydrophobicContact CG-CD2 3.87Å
298Y85.9Confident85.8Confident202 Ų20283.4 Ų83.479%0.79240%0.395SS*.Hα-helixtrans-83.5-35174.5-174.4-102.1000111.9L295 L296L295-Y298 VanDerWaalsContact O-CB 3.26Å; L295-Y298 WeakPolarHBondContact O-CB 3.49Å; L295-Y298 PolarHBondContact O-N 3.23Å; L296-Y298 PolarHBondContact O-N 3.46Å; L296-Y298 VanDerWaalsContact O-N 3.16Å
299F86.2Confident85.4Confident139 Ų13981.7 Ų81.761%0.6139%0.386SS*.Hα-helixtrans-86.2-31.6-179.4-71.7-81.9000113.4L296L296-F299 PolarHBondContact O-N 2.88Å; L296-F299 VanDerWaalsContact O-N 3.11Å
300F86.6Confident84.8Confident9 Ų984.1 Ų84.14%0.03940%0.4CS..SBendtrans-115.7140.5-178.7-66.5-86.2000110.7R254 L257 F258 L296 K297R254-F300 HydrophobicContact CB-CE1 4.09Å; R254-F300 WeakPolarHBondContact O-CE1 3.4Å; L257-F300 HydrophobicContact CB-CZ 4.15Å; L257-F300 HydrophobicContact CD2-CE2 4.46Å; L257-F300 HydrophobicContact CD2-CZ 3.99Å; L257-F300 HydrophobicContact CG-CZ 4.01Å; F258-F300 HydrophobicContact CB-CE1 4.13Å; F258-F300 HydrophobicContact CB-CE2 4.26Å; F258-F300 HydrophobicContact CB-CZ 3.69Å; F258-F300 HydrophobicContact CD2-CE2 4.33Å; F258-F300 HydrophobicContact CD2-CZ 4.49Å; L296-F300 HydrophobicContact CG-CD2 4.35Å; L296-F300 PolarHBondContact O-N 3.49Å; K297-F300 CarbonylContact C-O 3.58Å; K297-F300 VanDerWaalsContact O-O 3.13Å
301S84Confident83.9Confident69 Ų6984 Ų8448%0.48341%0.407SS..  trans-65148.6171.2-178.90000110.1K303 E304 L305S301-K303 PolarHBondContact O-N 3.36Å; S301-K303 VanDerWaalsContact O-N 3.13Å; S301-E304 PolarHBondContact N-OE2 2.93Å; S301-E304 WeakPolarHBondContact O-CB 3.26Å; S301-E304 PolarHBondContact O-N 3.22Å; S301-L305 PolarHBondContact O-N 3.04Å
302E83.1Confident82.8Confident123 Ų12382.2 Ų82.258%0.57540%0.398SS*.Hα-helixtrans-56.5-33.5-178.8-62.2-156.7132.200112.8K297 C306K297-E302 IonicContact NZ-OE1 2.85Å; K297-E302 PolarHBondContact NZ-OE1 2.91Å; E302-C306 WeakPolarHBondContact O-CB 3.27Å; E302-C306 PolarHBondContact O-N 3.35Å
303K81.8Confident82Confident160 Ų16084.8 Ų84.870%0.69641%0.414SS*.Hα-helixtrans-67.6-43.9174.8-64.7-175.2-179.7-178.20112.1S301 L305 C306 I307S301-K303 PolarHBondContact O-N 3.36Å; S301-K303 VanDerWaalsContact O-N 3.13Å; K303-L305 VanDerWaalsContact C-N 3.32Å; K303-C306 PolarHBondContact O-N 2.88Å; K303-I307 WeakPolarHBondContact O-CD1 3.46Å; K303-I307 VanDerWaalsContact O-CG1 3.24Å; K303-I307 WeakPolarHBondContact O-CG1 3.47Å; K303-I307 PolarHBondContact O-N 2.81Å
304E85.2Confident81.2Confident34 Ų3481.3 Ų81.316%0.15941%0.411CS..Hα-helixtrans-63.9-40.9177.7-60.6-177.3150.800111L250 R254 S301 I307 L308L250-E304 HydrophobicContact CD1-CB 4.48Å; L250-E304 HydrophobicContact CD2-CB 3.95Å; L250-E304 HydrophobicContact CD2-CG 3.62Å; R254-E304 WeakPolarHBondContact CD-OE1 3.13Å; R254-E304 IonicContact CZ-OE1 3.67Å; R254-E304 IonicContact CZ-OE2 3.38Å; R254-E304 IonicContact NE-OE1 4Å; R254-E304 PolarHBondContact NE-OE1 3.2Å; R254-E304 IonicContact NE-OE2 3.28Å; R254-E304 IonicContact NH1-OE1 2.77Å; R254-E304 PolarHBondContact NH1-OE1 2.87Å; R254-E304 IonicContact NH1-OE2 3.25Å; R254-E304 PolarHBondContact NH1-OE2 2.94Å; S301-E304 PolarHBondContact N-OE2 2.93Å; S301-E304 WeakPolarHBondContact O-CB 3.26Å; S301-E304 PolarHBondContact O-N 3.22Å; E304-I307 PolarHBondContact O-N 3.31Å; E304-L308 WeakPolarHBondContact O-CB 3.42Å; E304-L308 PolarHBondContact O-N 2.74Å
305L83.9Confident80.5Confident10 Ų1078.6 Ų78.65%0.05240%0.396CS..Hα-helixtrans-66.7-42.4178.3-172.464.1000111.7F258 L296 K297 S301 K303 L308 D309F258-L305 HydrophobicContact CD2-CD1 4.43Å; F258-L305 HydrophobicContact CE2-CD1 3.73Å; L296-L305 HydrophobicContact CD2-CD1 4.25Å; K297-L305 HydrophobicContact CG-CD2 3.87Å; S301-L305 PolarHBondContact O-N 3.04Å; K303-L305 VanDerWaalsContact C-N 3.32Å; L305-L308 PolarHBondContact O-N 3.27Å; L305-D309 WeakPolarHBondContact O-CB 3.23Å; L305-D309 PolarHBondContact O-N 3.41Å
306C82.4Confident80Confident65 Ų6581.8 Ų81.844%0.43941%0.406SS..Hα-helixtrans-62-44.3174.7174.50000112E302 K303 L308 D310E302-C306 WeakPolarHBondContact O-CB 3.27Å; E302-C306 PolarHBondContact O-N 3.35Å; K303-C306 PolarHBondContact O-N 2.88Å; C306-L308 PolarHBondContact O-N 2.92Å; C306-L308 VanDerWaalsContact O-N 3.14Å; C306-D310 WeakPolarHBondContact O-CB 3.38Å; C306-D310 PolarHBondContact O-N 2.94Å; C306-D310 VanDerWaalsContact O-N 3.09Å; C306-D310 PolarHBondContact SG-OD2 3.17Å
307I80Confident79.5Confident42 Ų4285.5 Ų85.522%0.21543%0.425CS..Hα-helixtrans-60.3-26.5176.9-68.6163.4000111.9L249 L250 K303 E304 L312L249-I307 HydrophobicContact CB-CD1 4.4Å; L249-I307 HydrophobicContact CB-CG2 4.36Å; L249-I307 HydrophobicContact CD1-CD1 4.2Å; L249-I307 HydrophobicContact CD1-CG1 4.42Å; L249-I307 HydrophobicContact CD1-CG2 3.95Å; L250-I307 HydrophobicContact CD1-CB 4.45Å; L250-I307 HydrophobicContact CD1-CG2 4.07Å; L250-I307 HydrophobicContact CG-CG2 4.38Å; K303-I307 WeakPolarHBondContact O-CD1 3.46Å; K303-I307 VanDerWaalsContact O-CG1 3.24Å; K303-I307 WeakPolarHBondContact O-CG1 3.47Å; K303-I307 PolarHBondContact O-N 2.81Å; E304-I307 PolarHBondContact O-N 3.31Å; I307-L312 HydrophobicContact CB-CD1 4.46Å; I307-L312 HydrophobicContact CG2-CD1 4.07Å; I307-L312 HydrophobicContact CG2-CD2 4.49Å; I307-L312 WeakPolarHBondContact O-CD1 3.24Å
308L81.1Confident79.1Confident5 Ų583.3 Ų83.33%0.02642%0.419CS..Hα-helixtrans-101.9-26.7-172.5-165.453.5000114R230 F258 E304 L305 C306R230-L308 PolarHBondContact NH1-O 3.07Å; F258-L308 HydrophobicContact CB-CD2 3.41Å; F258-L308 VanDerWaalsContact CB-CD2 3.41Å; F258-L308 HydrophobicContact CD1-CD1 4.15Å; F258-L308 HydrophobicContact CD1-CD2 3.13Å; F258-L308 HydrophobicContact CD1-CG 3.44Å; F258-L308 VanDerWaalsContact CD1-CG 3.44Å; F258-L308 HydrophobicContact CD2-CD2 3.67Å; F258-L308 HydrophobicContact CD2-CG 4.37Å; F258-L308 HydrophobicContact CE1-CB 4.41Å; F258-L308 HydrophobicContact CE1-CD1 4.24Å; F258-L308 HydrophobicContact CE1-CD2 3.62Å; F258-L308 HydrophobicContact CE1-CG 3.39Å; F258-L308 HydrophobicContact CE2-CD2 4.13Å; F258-L308 HydrophobicContact CE2-CG 4.36Å; F258-L308 HydrophobicContact CG-CD2 3.12Å; F258-L308 HydrophobicContact CG-CG 3.92Å; F258-L308 HydrophobicContact CZ-CB 4.48Å; F258-L308 HydrophobicContact CZ-CD2 4.1Å; F258-L308 HydrophobicContact CZ-CG 3.89Å; E304-L308 WeakPolarHBondContact O-CB 3.42Å; E304-L308 PolarHBondContact O-N 2.74Å; L305-L308 PolarHBondContact O-N 3.27Å; C306-L308 PolarHBondContact O-N 2.92Å; C306-L308 VanDerWaalsContact O-N 3.14Å
309D80.2Confident78.8Confident52 Ų5279.6 Ų79.628%0.27841%0.406SS..Hα-helixtrans-82.7-40.7175.6-81.9-6.6000112.1F258 R293 L305F258-D309 WeakPolarHBondContact CZ-OD1 3.27Å; R293-D309 IonicContact CZ-OD2 3.57Å; R293-D309 IonicContact NE-OD2 3.62Å; R293-D309 IonicContact NH2-OD2 2.78Å; R293-D309 PolarHBondContact NH2-OD2 2.81Å; L305-D309 WeakPolarHBondContact O-CB 3.23Å; L305-D309 PolarHBondContact O-N 3.41Å
310D76Confident78.7Confident94 Ų9478.9 Ų78.950%0.50340%0.403SS..SBendtrans-86.1142.7-174.5-67.5-37.6000112.1C306 L312C306-D310 WeakPolarHBondContact O-CB 3.38Å; C306-D310 PolarHBondContact O-N 2.94Å; C306-D310 VanDerWaalsContact O-N 3.09Å; C306-D310 PolarHBondContact SG-OD2 3.17Å; D310-L312 PolarHBondContact O-N 2.97Å
311P69.1Low78.4Confident119 Ų11979.9 Ų79.977%0.77342%0.416SS*.  trans-67.6103.1172.127.7-32.5000109.8
312L65.3Low78.3Confident52 Ų5278.9 Ų78.927%0.27241%0.412SS..PPolyproline II helixtrans-68.9139.7174.9-88.788.4000111.4L249 I307 D310L249-L312 HydrophobicContact CD1-CD2 3.94Å; I307-L312 HydrophobicContact CB-CD1 4.46Å; I307-L312 HydrophobicContact CG2-CD1 4.07Å; I307-L312 HydrophobicContact CG2-CD2 4.49Å; I307-L312 WeakPolarHBondContact O-CD1 3.24Å; D310-L312 PolarHBondContact O-N 2.97Å
313P72.9Confident78.4Confident58 Ų5878.5 Ų78.538%0.37741%0.41SS..PPolyproline II helixtrans-62.1152.2170.626.5-33.2000111.1S245 L317 L318S245-P313 PolarHBondContact OG-O 3.38Å; S245-P313 VanDerWaalsContact OG-O 3.06Å; P313-L317 HydrophobicContact CB-CB 4.33Å; P313-L317 HydrophobicContact CB-CD1 4.36Å; P313-L318 HydrophobicContact CG-CD2 3.71Å; P313-L318 HydrophobicContact CG-CG 4.01Å
314P71.7Confident78.5Confident79 Ų7979.8 Ų79.851%0.51341%0.41SS..PPolyproline II helixtrans-58.3144.9177.118.8-30000111.5K316 L317 L318P314-K316 PolarHBondContact O-N 3.22Å; P314-L317 HydrophobicContact CG-CD1 3.79Å; P314-L317 HydrophobicContact CG-CG 4Å; P314-L317 WeakPolarHBondContact O-CB 3.41Å; P314-L317 PolarHBondContact O-N 3.09Å; P314-L318 PolarHBondContact O-N 3.33Å
315W71.8Confident78.2Confident105 Ų10584.3 Ų84.340%0.39843%0.432SS..Hα-helixtrans-51.1-32.7-175-171.6-99.2000114.5S245 L317 L318 K319S245-W315 PolarHBondContact OG-N 2.99Å; W315-L317 VanDerWaalsContact C-N 3.27Å; W315-L317 PolarHBondContact O-N 2.87Å; W315-L318 HydrophobicContact CE3-CD1 4.18Å; W315-L318 PolarHBondContact O-N 3.13Å; W315-K319 WeakPolarHBondContact O-CB 3.45Å; W315-K319 PolarHBondContact O-N 3.41Å
316K78.7Confident78.1Confident170 Ų17088 Ų8874%0.73945%0.454SS*.Hα-helixtrans-60.7-35.5176-65.2-179.7-177.6175.60112.4P314 K320P314-K316 PolarHBondContact O-N 3.22Å; K316-K320 WeakPolarHBondContact O-CB 3.46Å; K316-K320 VanDerWaalsContact O-CG 3.25Å; K316-K320 WeakPolarHBondContact O-CG 3.26Å; K316-K320 PolarHBondContact O-N 3.13Å; K316-K320 VanDerWaalsContact O-N 3.1Å
317L77.8Confident78.1Confident97 Ų9787.1 Ų87.151%0.50845%0.451SS..Hα-helixtrans-77-39.6177.4-63.7-178000111.6P313 P314 W315 K319 K320 G321P313-L317 HydrophobicContact CB-CB 4.33Å; P313-L317 HydrophobicContact CB-CD1 4.36Å; P314-L317 HydrophobicContact CG-CD1 3.79Å; P314-L317 HydrophobicContact CG-CG 4Å; P314-L317 WeakPolarHBondContact O-CB 3.41Å; P314-L317 PolarHBondContact O-N 3.09Å; W315-L317 VanDerWaalsContact C-N 3.27Å; W315-L317 PolarHBondContact O-N 2.87Å; L317-K319 PolarHBondContact O-N 3.31Å; L317-K320 PolarHBondContact O-N 3.2Å; L317-G321 PolarHBondContact O-N 3.05Å
318L77.7Confident78.1Confident66 Ų6689 Ų8935%0.34646%0.464SS..Hα-helixtrans-59.9-45.6173.6-68.3172000111.4P313 P314 W315 G321 A322P313-L318 HydrophobicContact CG-CD2 3.71Å; P313-L318 HydrophobicContact CG-CG 4.01Å; P314-L318 PolarHBondContact O-N 3.33Å; W315-L318 HydrophobicContact CE3-CD1 4.18Å; W315-L318 PolarHBondContact O-N 3.13Å; L318-G321 PolarHBondContact O-N 3.48Å; L318-A322 PolarHBondContact O-N 3.23Å
319K80.1Confident78Confident123 Ų12392.3 Ų92.354%0.53548%0.483SS..Hα-helixtrans-64.2-42.6176.5-169.9178.9-178.6-177.90112.2W315 L317 G321 A322 Q323W315-K319 WeakPolarHBondContact O-CB 3.45Å; W315-K319 PolarHBondContact O-N 3.41Å; L317-K319 PolarHBondContact O-N 3.31Å; K319-G321 VanDerWaalsContact C-N 3.34Å; K319-A322 PolarHBondContact O-N 3.32Å; K319-Q323 WeakPolarHBondContact O-CB 3.26Å; K319-Q323 VanDerWaalsContact O-CG 3.27Å; K319-Q323 WeakPolarHBondContact O-CG 3.36Å; K319-Q323 PolarHBondContact O-N 3.01Å
320K84.3Confident78.1Confident125 Ų12595.7 Ų95.754%0.54350%0.497SS..Hα-helixtrans-64-38.3175.5-79.9179.3178.5-172.80112.1K316 L317 R324K316-K320 WeakPolarHBondContact O-CB 3.46Å; K316-K320 VanDerWaalsContact O-CG 3.25Å; K316-K320 WeakPolarHBondContact O-CG 3.26Å; K316-K320 PolarHBondContact O-N 3.13Å; K316-K320 VanDerWaalsContact O-N 3.1Å; L317-K320 PolarHBondContact O-N 3.2Å; K320-R324 WeakPolarHBondContact O-CG 3.19Å; K320-R324 PolarHBondContact O-N 3.23Å
321G79.3Confident78.3Confident29 Ų2997.5 Ų97.530%0.29950%0.502SS..Hα-helixtrans-61.2-53.417400000111.2L317 L318 K319 Q323 R324 E325L317-G321 PolarHBondContact O-N 3.05Å; L318-G321 PolarHBondContact O-N 3.48Å; K319-G321 VanDerWaalsContact C-N 3.34Å; G321-Q323 VanDerWaalsContact C-N 3.31Å; G321-Q323 PolarHBondContact O-N 3.41Å; G321-R324 WeakPolarHBondContact O-CA 3.25Å; G321-R324 WeakPolarHBondContact O-CB 3.44Å; G321-R324 PolarHBondContact O-N 3.34Å; G321-E325 PolarHBondContact O-N 2.95Å
322A81.9Confident78.7Confident48 Ų4895.1 Ų95.140%0.39748%0.483SS..Hα-helixtrans-59.2-39.4176.900000112.7L318 K319 R324 E325 V326L318-A322 PolarHBondContact O-N 3.23Å; K319-A322 PolarHBondContact O-N 3.32Å; A322-R324 VanDerWaalsContact C-N 3.33Å; A322-R324 PolarHBondContact O-N 3.23Å; A322-E325 PolarHBondContact O-N 3.5Å; A322-V326 VanDerWaalsContact O-CG2 3.29Å; A322-V326 WeakPolarHBondContact O-CG2 3.43Å; A322-V326 PolarHBondContact O-N 3.45Å
323Q85Confident79Confident115 Ų11595.3 Ų95.354%0.53749%0.492SS..Hα-helixtrans-65-36.1174.6-76.5179.5-45.100112.8K319 G321 A327K319-Q323 WeakPolarHBondContact O-CB 3.26Å; K319-Q323 VanDerWaalsContact O-CG 3.27Å; K319-Q323 WeakPolarHBondContact O-CG 3.36Å; K319-Q323 PolarHBondContact O-N 3.01Å; G321-Q323 VanDerWaalsContact C-N 3.31Å; G321-Q323 PolarHBondContact O-N 3.41Å; Q323-A327 WeakPolarHBondContact O-CB 3.36Å; Q323-A327 PolarHBondContact O-N 3.33Å
324R83.3Confident79.3Confident188 Ų18898.7 Ų98.771%0.70951%0.507SS*.Hα-helixtrans-69.5-42.1174.5-77.7177177.4178.8-2.6111.7K320 G321 A322 A327 V328K320-R324 WeakPolarHBondContact O-CG 3.19Å; K320-R324 PolarHBondContact O-N 3.23Å; G321-R324 WeakPolarHBondContact O-CA 3.25Å; G321-R324 WeakPolarHBondContact O-CB 3.44Å; G321-R324 PolarHBondContact O-N 3.34Å; A322-R324 VanDerWaalsContact C-N 3.33Å; A322-R324 PolarHBondContact O-N 3.23Å; R324-A327 PolarHBondContact O-N 3.41Å; R324-V328 WeakPolarHBondContact O-CB 3.38Å; R324-V328 VanDerWaalsContact O-CG2 3.23Å; R324-V328 WeakPolarHBondContact O-CG2 3.4Å; R324-V328 PolarHBondContact O-N 3.37Å
325E79.8Confident79.4Confident129 Ų129100 Ų10060%0.60351%0.513SS*.Hα-helixtrans-60-47.7175.9-72.4174.1171.100110.9G321 A322 A327 V328 D329G321-E325 PolarHBondContact O-N 2.95Å; A322-E325 PolarHBondContact O-N 3.5Å; E325-A327 VanDerWaalsContact C-N 3.33Å; E325-A327 PolarHBondContact O-N 3.45Å; E325-V328 PolarHBondContact O-N 3.34Å; E325-D329 WeakPolarHBondContact O-CB 3.48Å; E325-D329 PolarHBondContact O-N 3.33Å
326V82.2Confident79Confident87 Ų8796.7 Ų96.753%0.52751%0.511SS..Hα-helixtrans-60.5-41.9175.3173.90000111.7A322 D329 E330A322-V326 VanDerWaalsContact O-CG2 3.29Å; A322-V326 WeakPolarHBondContact O-CG2 3.43Å; A322-V326 PolarHBondContact O-N 3.45Å; V326-D329 PolarHBondContact O-N 2.97Å; V326-E330 VanDerWaalsContact O-CB 3.29Å; V326-E330 WeakPolarHBondContact O-CB 3.19Å; V326-E330 PolarHBondContact O-N 3.33Å
327A82.4Confident78.1Confident46 Ų4692.5 Ų92.538%0.3850%0.497SS..Hα-helixtrans-65.9-38.8177.200000112.5Q323 R324 E325 E330 E331Q323-A327 WeakPolarHBondContact O-CB 3.36Å; Q323-A327 PolarHBondContact O-N 3.33Å; R324-A327 PolarHBondContact O-N 3.41Å; E325-A327 VanDerWaalsContact C-N 3.33Å; E325-A327 PolarHBondContact O-N 3.45Å; A327-E330 PolarHBondContact O-N 3.38Å; A327-E331 WeakPolarHBondContact O-CB 3.26Å; A327-E331 WeakPolarHBondContact O-CG 3.41Å; A327-E331 PolarHBondContact O-N 3.21Å
328V80.4Confident77Confident81 Ų8190.2 Ų90.249%0.49148%0.484SS..Hα-helixtrans-68.7-41.1176.3170.40000110.9R324 E325 E330 E331 L332R324-V328 WeakPolarHBondContact O-CB 3.38Å; R324-V328 VanDerWaalsContact O-CG2 3.23Å; R324-V328 WeakPolarHBondContact O-CG2 3.4Å; R324-V328 PolarHBondContact O-N 3.37Å; E325-V328 PolarHBondContact O-N 3.34Å; V328-E330 VanDerWaalsContact C-N 3.32Å; V328-E330 PolarHBondContact O-N 3.01Å; V328-E331 PolarHBondContact O-N 3.19Å; V328-L332 VanDerWaalsContact O-CB 3.25Å; V328-L332 WeakPolarHBondContact O-CB 3.1Å; V328-L332 PolarHBondContact O-N 3.03Å
329D77.6Confident75.8Confident76 Ų7698.4 Ų98.441%0.40651%0.511SS..Hα-helixtrans-63.1-39.7174.7-75.2-20.2000111.2E325 V326 L332 A333E325-D329 WeakPolarHBondContact O-CB 3.48Å; E325-D329 PolarHBondContact O-N 3.33Å; V326-D329 PolarHBondContact O-N 2.97Å; D329-L332 PolarHBondContact O-N 3.27Å; D329-A333 VanDerWaalsContact O-CB 3.27Å; D329-A333 WeakPolarHBondContact O-CB 3.5Å; D329-A333 PolarHBondContact O-N 3.22Å
330E83.3Confident74.6Confident123 Ų12396.9 Ų96.958%0.57552%0.516SS*.Hα-helixtrans-68-42176.1-167.3168.8-163.300111.7V326 A327 V328 A333 N334V326-E330 VanDerWaalsContact O-CB 3.29Å; V326-E330 WeakPolarHBondContact O-CB 3.19Å; V326-E330 PolarHBondContact O-N 3.33Å; A327-E330 PolarHBondContact O-N 3.38Å; V328-E330 VanDerWaalsContact C-N 3.32Å; V328-E330 PolarHBondContact O-N 3.01Å; E330-A333 PolarHBondContact O-N 3.35Å; E330-N334 WeakPolarHBondContact O-CB 3.41Å; E330-N334 PolarHBondContact O-N 3.46Å; E330-N334 PolarHBondContact O-ND2 3.13Å; E330-N334 VanDerWaalsContact O-ND2 3.14Å
331E80.6Confident73.3Confident132 Ų13296.2 Ų96.262%0.61752%0.517SS*.Hα-helixtrans-61.2-44.7170.5-79.5-177.1173.100111.8A327 V328 N334 T335A327-E331 WeakPolarHBondContact O-CB 3.26Å; A327-E331 WeakPolarHBondContact O-CG 3.41Å; A327-E331 PolarHBondContact O-N 3.21Å; V328-E331 PolarHBondContact O-N 3.19Å; E331-N334 PolarHBondContact O-N 3.49Å; E331-T335 WeakPolarHBondContact O-CB 3.31Å; E331-T335 PolarHBondContact O-N 3.23Å; E331-T335 PolarHBondContact O-OG1 2.99Å
332L75.8Confident72Confident69 Ų6998 Ų9836%0.36154%0.536SS..Hα-helixtrans-66.5-38.9-179.7-170.967.7000111.9V328 D329 T335 L337 I338V328-L332 VanDerWaalsContact O-CB 3.25Å; V328-L332 WeakPolarHBondContact O-CB 3.1Å; V328-L332 PolarHBondContact O-N 3.03Å; D329-L332 PolarHBondContact O-N 3.27Å; L332-T335 PolarHBondContact O-N 2.97Å; L332-L337 HydrophobicContact CD1-CB 3.94Å; L332-L337 HydrophobicContact CD1-CD2 3.73Å; L332-L337 HydrophobicContact CD1-CG 4.47Å; L332-I338 HydrophobicContact CB-CD1 4.23Å; L332-I338 HydrophobicContact CB-CG1 4.48Å; L332-I338 HydrophobicContact CD2-CD1 4.02Å; L332-I338 HydrophobicContact CD2-CG1 3.99Å; L332-I338 HydrophobicContact CG-CD1 3.94Å; L332-I338 HydrophobicContact CG-CG1 3.74Å
333A73.5Confident70.2Confident56 Ų56101.5 Ų101.546%0.46355%0.547SS..Hα-helixtrans-63.2-42.3172.600000111.6D329 E330 G336 I338D329-A333 VanDerWaalsContact O-CB 3.27Å; D329-A333 WeakPolarHBondContact O-CB 3.5Å; D329-A333 PolarHBondContact O-N 3.22Å; E330-A333 PolarHBondContact O-N 3.35Å; A333-G336 PolarHBondContact O-N 3.22Å; A333-I338 HydrophobicContact CB-CD1 4.06Å
334N77.4Confident68.3Low129 Ų129100 Ų10069%0.6955%0.549SS*.Hα-helixtrans-71.2-31.2178.6-71.9-24000113.1E330 E331 G336E330-N334 WeakPolarHBondContact O-CB 3.41Å; E330-N334 PolarHBondContact O-N 3.46Å; E330-N334 PolarHBondContact O-ND2 3.13Å; E330-N334 VanDerWaalsContact O-ND2 3.14Å; E331-N334 PolarHBondContact O-N 3.49Å; N334-G336 PolarHBondContact O-N 3.23Å
335T74Confident66.6Low106 Ų10695.9 Ų95.965%0.6555%0.549SS*.THydrogen-bonded Turntrans-73.8-1.2177.4-41.60000112.3E331 L332 L337E331-T335 WeakPolarHBondContact O-CB 3.31Å; E331-T335 PolarHBondContact O-N 3.23Å; E331-T335 PolarHBondContact O-OG1 2.99Å; L332-T335 PolarHBondContact O-N 2.97Å; T335-L337 PolarHBondContact O-N 3.27Å
336G65.1Low64.7Low35 Ų3598.7 Ų98.736%0.36156%0.559SS.*THydrogen-bonded Turntrans70.5-2.1176.200000114.9A333 N334 I338 R339 S340A333-G336 PolarHBondContact O-N 3.22Å; N334-G336 PolarHBondContact O-N 3.23Å; G336-I338 VanDerWaalsContact C-N 3.26Å; G336-I338 PolarHBondContact O-N 3.19Å; G336-R339 PolarHBondContact O-N 3.33Å; G336-R339 VanDerWaalsContact O-N 3.11Å; G336-S340 PolarHBondContact O-N 2.9Å
337L59Low62.5Low82 Ų82102.6 Ų102.643%0.42957%0.572SS.*Hα-helixtrans-61.5-35.9-177.5-151.293.8000111.7L332 T335 R339 S340 I341L332-L337 HydrophobicContact CD1-CB 3.94Å; L332-L337 HydrophobicContact CD1-CD2 3.73Å; L332-L337 HydrophobicContact CD1-CG 4.47Å; T335-L337 PolarHBondContact O-N 3.27Å; L337-R339 VanDerWaalsContact C-N 3.33Å; L337-R339 PolarHBondContact O-N 3.16Å; L337-S340 WeakPolarHBondContact CA-OG 3.3Å; L337-S340 PolarHBondContact O-N 3.42Å; L337-S340 VanDerWaalsContact O-N 3.17Å; L337-S340 PolarHBondContact O-OG 3.47Å; L337-I341 HydrophobicContact CD2-CD1 3.97Å; L337-I341 HydrophobicContact CG-CD1 4.14Å; L337-I341 WeakPolarHBondContact O-CG1 3.43Å; L337-I341 PolarHBondContact O-N 3.01Å; L337-I341 VanDerWaalsContact O-N 3.1Å
338I54.6Low60.4Low49 Ų49106.3 Ų106.325%0.25159%0.59SS.*Hα-helixtrans-63.8-37.2177.5-56.9-172.7000111.4L332 A333 G336 G342 L343L332-I338 HydrophobicContact CB-CD1 4.23Å; L332-I338 HydrophobicContact CB-CG1 4.48Å; L332-I338 HydrophobicContact CD2-CD1 4.02Å; L332-I338 HydrophobicContact CD2-CG1 3.99Å; L332-I338 HydrophobicContact CG-CD1 3.94Å; L332-I338 HydrophobicContact CG-CG1 3.74Å; A333-I338 HydrophobicContact CB-CD1 4.06Å; G336-I338 VanDerWaalsContact C-N 3.26Å; G336-I338 PolarHBondContact O-N 3.19Å; I338-G342 PolarHBondContact O-N 3.14Å; I338-G342 VanDerWaalsContact O-N 3.16Å; I338-L343 WeakPolarHBondContact CG2-O 3.48Å
339R52Low58.3Low239 Ų239111.2 Ų111.290%0.90260%0.601SS**Hα-helixtrans-70.2-33.6174.5-101-176.5-176.8173.22.5112.4G336 L337G336-R339 PolarHBondContact O-N 3.33Å; G336-R339 VanDerWaalsContact O-N 3.11Å; L337-R339 VanDerWaalsContact C-N 3.33Å; L337-R339 PolarHBondContact O-N 3.16Å
340S55.3Low56Low91 Ų91115 Ų11564%0.63662%0.62SS**Hα-helixtrans-73.6-27.2177.6590000114.2G336 L337G336-S340 PolarHBondContact O-N 2.9Å; L337-S340 WeakPolarHBondContact CA-OG 3.3Å; L337-S340 PolarHBondContact O-N 3.42Å; L337-S340 VanDerWaalsContact O-N 3.17Å; L337-S340 PolarHBondContact O-OG 3.47Å
341I57.8Low53.3Low111 Ų111121.7 Ų121.757%0.56965%0.651SS**Hα-helixtrans-95.8-6-179.6-58.8170.7000111.5L337 L343L337-I341 HydrophobicContact CD2-CD1 3.97Å; L337-I341 HydrophobicContact CG-CD1 4.14Å; L337-I341 WeakPolarHBondContact O-CG1 3.43Å; L337-I341 PolarHBondContact O-N 3.01Å; L337-I341 VanDerWaalsContact O-N 3.1Å; I341-L343 VanDerWaalsContact C-N 3.3Å; I341-L343 HydrophobicContact CG2-CD1 4.03Å; I341-L343 PolarHBondContact O-N 2.97Å
342G52.1Low52Low67 Ų67121.2 Ų121.269%0.69165%0.652SS**THydrogen-bonded Turntrans73.115.817100000115.1I338I338-G342 PolarHBondContact O-N 3.14Å; I338-G342 VanDerWaalsContact O-N 3.16Å
343L43.4Very low50.7Low120 Ų120123.9 Ų123.963%0.62867%0.668SS**  trans-90.7121.4177.2-76.3161.7000110.3I338 I341I338-L343 WeakPolarHBondContact CG2-O 3.48Å; I341-L343 VanDerWaalsContact C-N 3.3Å; I341-L343 HydrophobicContact CG2-CD1 4.03Å; I341-L343 PolarHBondContact O-N 2.97Å
344S44.8Very low49.4Very low85 Ų85127.7 Ų127.759%0.59468%0.679SS**  trans-80.7132.3177-175.40000110.6K346 E347S344-K346 PolarHBondContact O-N 3.15Å; S344-E347 PolarHBondContact O-N 3.27Å
345S47.1Very low47.8Very low100 Ų100127.6 Ų127.670%0.69968%0.678SS**THydrogen-bonded Turntrans-52.9-6.5-175.3176.10000116.5
346K39.9Very low46.2Very low188 Ų188128.9 Ų128.982%0.81768%0.68SS**THydrogen-bonded Turntrans-104.5-10.4-172.1-76.7-171.3174.9-177.70115.8S344S344-K346 PolarHBondContact O-N 3.15Å
347E36.8Very low44.9Very low170 Ų170135.2 Ų135.279%0.79470%0.701SS**SBendtrans-91.7-3.2-172.1-77.7-175.1157.500116S344S344-E347 PolarHBondContact O-N 3.27Å
348T38.2Very low43.9Very low124 Ų124139 Ų13976%0.76172%0.721SS**SBendtrans-93.90.6-173.46.60000117.2
349Y35Very low43.1Very low183 Ų183145.9 Ų145.972%0.71876%0.757SS**SBendtrans-101.84.2-172.7-80.8-78.7000116.8
350I29.5Very low42.3Very low157 Ų157138.2 Ų138.281%0.80575%0.745SS**  trans-140.381.6177.9-47.2177.2000110.6
351Q27.9Very low41.1Very low262 Ų262142.5 Ų142.5100%1.22476%0.755SS**  trans-1560145.4-108.2172.616.400110.7

Retrieved 351 of 351 residues in 402.3 ms (Link to these results)