A0A077YZN3_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077YZN3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 194 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M37.5Very low43.3Very low245 Ų245129.2 Ų129.2100%1.20780%0.797SS**  099.10-71.3163.5127.600106.8
2S40.6Very low44.8Very low120 Ų120122.8 Ų122.884%0.83976%0.761SS**  trans-113.488.4178-55.90000107.5
3G41.4Very low46.9Very low76 Ų76127.8 Ų127.878%0.78476%0.758SS**  trans-76.3118.3167.100000108.2
4V52.5Low49.3Very low117 Ų117122.6 Ų122.671%0.70973%0.728SS**  trans-100.4103.8170.9-179.80000106L6V4-L6 PolarHBondContact O-N 3.21Å; V4-L6 VanDerWaalsContact O-N 3.13Å
5D43Very low51.6Low158 Ų158119.6 Ų119.685%0.84571%0.711SS**  trans-70.8103.1173.8-72.9-49.5000109.7N7D5-N7 PolarHBondContact O-N 2.94Å
6L44.6Very low53.7Low156 Ų156112.6 Ų112.682%0.81767%0.669SS**  trans-83.477.5168.7-77.4145.9000108.9V4V4-L6 PolarHBondContact O-N 3.21Å; V4-L6 VanDerWaalsContact O-N 3.13Å
7N39.6Very low55.5Low159 Ų159112.1 Ų112.185%0.8567%0.67SS**  trans-173.7106.3162.2-102.7-19.2000111.3D5D5-N7 PolarHBondContact O-N 2.94Å
8A41.3Very low57Low51 Ų51108.9 Ų108.942%0.42165%0.649SS.*  trans161.4117.1134.300000112S10A8-S10 PolarHBondContact O-N 3.47Å
9P41.8Very low58.4Low142 Ų142106.1 Ų106.192%0.92264%0.644SS**SBendtrans-83.173.3155.234.8-26.6000108.2
10S42.9Very low59.6Low82 Ų82109.3 Ų109.357%0.57364%0.644SS**SBendtrans-162.596.8172.3570000109.2A8 S12A8-S10 PolarHBondContact O-N 3.47Å; S10-S12 VanDerWaalsContact C-N 3.32Å; S10-S12 PolarHBondContact O-N 3.31Å
11S50.7Low60.8Low115 Ų115107.5 Ų107.580%0.80464%0.636SS**SBendtrans43.753.8-179.956.90000113.5W13S11-W13 PolarHBondContact O-N 3.43Å
12S62Low63.1Low52 Ų5295.9 Ų95.936%0.36458%0.579SS.*  trans-75.796.1-176.955.80000109.5S10 S32S10-S12 VanDerWaalsContact C-N 3.32Å; S10-S12 PolarHBondContact O-N 3.31Å; S12-S32 WeakPolarHBondContact O-CB 3.41Å
13W72.2Confident65.4Low188 Ų18892.6 Ų92.671%0.71256%0.555SS**  trans-66.3133165.154.8-83.4000108.2S11 C22S11-W13 PolarHBondContact O-N 3.43Å; W13-C22 CarbonylContact C-O 3.53Å; W13-C22 WeakPolarHBondContact CA-O 3.49Å
14T79.7Confident67.3Low56 Ų5690.2 Ų90.234%0.34453%0.53SS..EExtended strand (participates in β ladder)trans-118.5127.4177.3-58.30000109P21 C22 S32T14-P21 CarbonylContact O-C 3.59Å; T14-C22 PolarHBondContact N-O 3.32Å; T14-C22 PolarHBondContact O-N 2.78Å; T14-S32 VanDerWaalsContact CB-O 3.24Å; T14-S32 WeakPolarHBondContact CB-O 3.35Å; T14-S32 PolarHBondContact OG1-O 3.28Å
15T84.6Confident68.2Low77 Ų7795.4 Ų95.447%0.47254%0.538SS..EExtended strand (participates in β ladder)trans-86.5122175.5-53.30000110.3
16C85Confident70.1Confident7 Ų797 Ų975%0.04754%0.538CS..  trans-75.7164.6177.6-59.10000112.2N18 G19 R20 C22 C34 F44C16-N18 WeakPolarHBondContact CB-OD1 3.4Å; C16-N18 PolarHBondContact O-N 3.43Å; C16-N18 VanDerWaalsContact O-N 3.08Å; C16-G19 WeakPolarHBondContact O-CA 3.14Å; C16-G19 PolarHBondContact O-N 3.36Å; C16-R20 WeakPolarHBondContact CB-O 3.48Å; C16-R20 PolarHBondContact N-O 3.28Å; C16-C22 PolarHBondContact SG-SG 3.02Å; C16-C34 WeakPolarHBondContact CA-SG 3.31Å; C16-C34 HydrophobicContact CB-CB 3.84Å; C16-C34 WeakPolarHBondContact CB-SG 3.3Å; C16-C34 PolarHBondContact N-SG 3.32Å; C16-C34 WeakPolarHBondContact SG-CB 3.22Å; C16-C34 CovalentContact SG-SG 2.03Å; C16-C34 PolarHBondContact SG-SG 2.98Å; C16-F44 HydrophobicContact CB-CB 4.12Å; C16-F44 HydrophobicContact CB-CG 4.48Å
17P84.5Confident71.8Confident104 Ų10492.6 Ų92.668%0.67552%0.515SS*.THydrogen-bonded Turntrans-60.9-21-179.2-24.835.5000114.8G19 F44P17-G19 PolarHBondContact O-N 3.4Å; P17-F44 HydrophobicContact CB-CD2 4.36Å; P17-F44 HydrophobicContact CB-CE2 3.74Å; P17-F44 HydrophobicContact CB-CZ 3.84Å; P17-F44 HydrophobicContact CG-CD1 4.37Å; P17-F44 HydrophobicContact CG-CD2 4.43Å; P17-F44 HydrophobicContact CG-CE1 3.82Å; P17-F44 HydrophobicContact CG-CE2 3.9Å; P17-F44 HydrophobicContact CG-CZ 3.56Å
18N82.3Confident73.9Confident56 Ų5693.5 Ų93.530%0.29951%0.506SS..THydrogen-bonded Turntrans-82.65.5172.864.6-7.5000113.6C16 R20 F44C16-N18 WeakPolarHBondContact CB-OD1 3.4Å; C16-N18 PolarHBondContact O-N 3.43Å; C16-N18 VanDerWaalsContact O-N 3.08Å; N18-R20 VanDerWaalsContact C-N 3.3Å; N18-R20 PolarHBondContact O-N 3.28Å; N18-R20 WeakPolarHBondContact OD1-CB 3.43Å; N18-R20 PolarHBondContact OD1-N 3.07Å; N18-F44 HydrophobicContact CB-CD2 4.19Å
19G82.5Confident75.7Confident54 Ų54102.2 Ų102.256%0.55753%0.528SS*.SBendtrans79.42.6-178.900000115C16 P17C16-G19 WeakPolarHBondContact O-CA 3.14Å; C16-G19 PolarHBondContact O-N 3.36Å; P17-G19 PolarHBondContact O-N 3.4Å
20R82.4Confident77.7Confident170 Ų170102.2 Ų102.264%0.64252%0.516SS*.  trans-84.7133.6178.7-63.9-170.5-179.3-158.11.6111.2C16 N18C16-R20 WeakPolarHBondContact CB-O 3.48Å; C16-R20 PolarHBondContact N-O 3.28Å; N18-R20 VanDerWaalsContact C-N 3.3Å; N18-R20 PolarHBondContact O-N 3.28Å; N18-R20 WeakPolarHBondContact OD1-CB 3.43Å; N18-R20 PolarHBondContact OD1-N 3.07Å
21P85.9Confident79.7Confident73 Ų73100.6 Ų100.647%0.47450%0.499SS..EExtended strand (participates in β ladder)trans-79.3141.5173.532-33.2000111.3T14T14-P21 CarbonylContact O-C 3.59Å
22C86.5Confident81.3Confident0 Ų095.8 Ų95.80%047%0.466CS..EExtended strand (participates in β ladder)trans-109.4134.8168.4-71.20000110.1W13 T14 C16 C46W13-C22 CarbonylContact C-O 3.53Å; W13-C22 WeakPolarHBondContact CA-O 3.49Å; T14-C22 PolarHBondContact N-O 3.32Å; T14-C22 PolarHBondContact O-N 2.78Å; C16-C22 PolarHBondContact SG-SG 3.02Å; C22-C46 WeakPolarHBondContact CA-SG 3.34Å; C22-C46 HydrophobicContact CB-CB 3.81Å; C22-C46 WeakPolarHBondContact CB-SG 3.27Å; C22-C46 WeakPolarHBondContact SG-CA 2.94Å; C22-C46 WeakPolarHBondContact SG-CB 3.4Å; C22-C46 CovalentContact SG-SG 2.04Å; C22-C46 PolarHBondContact SG-SG 3.12Å
23P87.3Confident82.4Confident52 Ų5296 Ų9634%0.33846%0.461SS..SBendcis-75.5142.50.530.2-34.3000112.5D27 R28P23-D27 HydrophobicContact CB-CB 3.82Å; P23-R28 WeakPolarHBondContact CB-O 3.45Å
24G81.5Confident83.1Confident25 Ų2588.5 Ų88.526%0.25844%0.436SS..  trans-77.6175.5175.500000113.4K26 D27G24-K26 PolarHBondContact O-N 2.86Å; G24-D27 VanDerWaalsContact CA-OD2 3.27Å; G24-D27 WeakPolarHBondContact CA-OD2 3.22Å; G24-D27 PolarHBondContact N-OD2 3.47Å; G24-D27 PolarHBondContact O-N 3.39Å; G24-D27 VanDerWaalsContact O-N 3.07Å
25Y72.8Confident83.5Confident226 Ų22686 Ų8689%0.88642%0.421SS*.THydrogen-bonded Turntrans-69.796.4174.7-174.6-103.4000109.8
26K81.8Confident83.6Confident193 Ų19390.1 Ų90.184%0.83943%0.432SS*.THydrogen-bonded Turntrans121.4-6.3-180-74.8-178.6173.6-173.50114.5G24G24-K26 PolarHBondContact O-N 2.86Å
27D81.2Confident83.4Confident63 Ų6391.3 Ų91.334%0.33744%0.441SS..  trans-82153.3179.4-61.5-22000110.7P23 G24 E31 C46P23-D27 HydrophobicContact CB-CB 3.82Å; G24-D27 VanDerWaalsContact CA-OD2 3.27Å; G24-D27 WeakPolarHBondContact CA-OD2 3.22Å; G24-D27 PolarHBondContact N-OD2 3.47Å; G24-D27 PolarHBondContact O-N 3.39Å; G24-D27 VanDerWaalsContact O-N 3.07Å; D27-E31 VanDerWaalsContact CA-OE2 3.27Å; D27-E31 WeakPolarHBondContact CA-OE2 3.42Å; D27-E31 HydrophobicContact CB-CB 4.27Å; D27-E31 VanDerWaalsContact CB-OE2 3.27Å; D27-E31 WeakPolarHBondContact CB-OE2 3.12Å; D27-C46 HydrophobicContact CB-CB 4.47Å; D27-C46 VanDerWaalsContact OD2-CB 3.3Å; D27-C46 WeakPolarHBondContact OD2-CB 3.4Å; D27-C46 PolarHBondContact OD2-SG 3.4Å; D27-C46 VanDerWaalsContact OD2-SG 3.36Å
28R82.7Confident83.2Confident177 Ų17795.3 Ų95.367%0.66845%0.448SS*.  trans-71.3152.8175.7-64.1-177.3177.2-162.90.8109.5P23 E30 E31P23-R28 WeakPolarHBondContact CB-O 3.45Å; R28-E30 PolarHBondContact O-N 3.02Å; R28-E31 HydrophobicContact CB-CG 4.16Å; R28-E31 PolarHBondContact N-OE2 3.37Å; R28-E31 WeakPolarHBondContact O-CB 3.46Å; R28-E31 PolarHBondContact O-N 3.36Å
29R79.2Confident83Confident234 Ų23499.2 Ų99.288%0.88347%0.473SS*.THydrogen-bonded Turntrans-58.7-22.1176.3-71-170.8-179.6-149.30.7113.6E31R29-E31 VanDerWaalsContact C-N 3.32Å
30E84.1Confident82.8Confident143 Ų143102.3 Ų102.367%0.66847%0.473SS*.THydrogen-bonded Turntrans-80.3-14.3178.4-63167.7-160.400112.7R28 S32R28-E30 PolarHBondContact O-N 3.02Å; E30-S32 VanDerWaalsContact C-N 3.25Å; E30-S32 PolarHBondContact O-N 3.02Å; E30-S32 VanDerWaalsContact O-N 3.13Å
31E84.1Confident82.6Confident47 Ų47100.3 Ų100.322%0.2248%0.482CS..  trans-90.255.7-178.9-65.3169.1165.300110.7D27 R28 R29 F33 C46 C47D27-E31 VanDerWaalsContact CA-OE2 3.27Å; D27-E31 WeakPolarHBondContact CA-OE2 3.42Å; D27-E31 HydrophobicContact CB-CB 4.27Å; D27-E31 VanDerWaalsContact CB-OE2 3.27Å; D27-E31 WeakPolarHBondContact CB-OE2 3.12Å; R28-E31 HydrophobicContact CB-CG 4.16Å; R28-E31 PolarHBondContact N-OE2 3.37Å; R28-E31 WeakPolarHBondContact O-CB 3.46Å; R28-E31 PolarHBondContact O-N 3.36Å; R29-E31 VanDerWaalsContact C-N 3.32Å; E31-F33 VanDerWaalsContact C-N 3.34Å; E31-C46 HydrophobicContact CB-CB 4.24Å; E31-C46 WeakPolarHBondContact O-CB 3.28Å; E31-C47 CarbonylContact C-O 3.5Å; E31-C47 WeakPolarHBondContact CA-O 3.29Å
32S84.6Confident82.2Confident15 Ų1599.8 Ų99.811%0.10549%0.49CS..  trans-88.92.1-178.958.90000113.6S12 T14 E30S12-S32 WeakPolarHBondContact O-CB 3.41Å; T14-S32 VanDerWaalsContact CB-O 3.24Å; T14-S32 WeakPolarHBondContact CB-O 3.35Å; T14-S32 PolarHBondContact OG1-O 3.28Å; E30-S32 VanDerWaalsContact C-N 3.25Å; E30-S32 PolarHBondContact O-N 3.02Å; E30-S32 VanDerWaalsContact O-N 3.13Å
33F86.1Confident82.1Confident57 Ų57102.7 Ų102.725%0.2551%0.505CS..EExtended strand (participates in β ladder)trans-109.1144.1-174.4-59.6-85.5000112.8E31 C46 C47 Y49 K52E31-F33 VanDerWaalsContact C-N 3.34Å; F33-C46 CarbonylContact O-C 3.5Å; F33-C46 VanDerWaalsContact O-CA 3.32Å; F33-C46 WeakPolarHBondContact O-CA 3.35Å; F33-C47 WeakPolarHBondContact CB-O 3.38Å; F33-C47 PolarHBondContact N-O 3.19Å; F33-C47 PolarHBondContact O-N 3.29Å; F33-C47 PolarHBondContact O-SG 3.01Å; F33-C47 VanDerWaalsContact O-SG 3.36Å; F33-Y49 HydrophobicContact CE1-CD2 4.17Å; F33-Y49 HydrophobicContact CE2-CD2 4.13Å; F33-Y49 HydrophobicContact CE2-CG 4.4Å; F33-Y49 AromaticContact CZ-CD2 3.76Å; F33-Y49 HydrophobicContact CZ-CD2 3.76Å; F33-Y49 HydrophobicContact CZ-CG 4.44Å; F33-K52 HydrophobicContact CB-CB 4.47Å; F33-K52 HydrophobicContact CB-CD 4Å; F33-K52 HydrophobicContact CD1-CD 3.85Å; F33-K52 HydrophobicContact CG-CD 4.1Å
34C87Confident82Confident29 Ų29102.6 Ų102.620%0.19650%0.5CS..EExtended strand (participates in β ladder)trans-87.5112.4176.4-59.60000111.3C16C16-C34 WeakPolarHBondContact CA-SG 3.31Å; C16-C34 HydrophobicContact CB-CB 3.84Å; C16-C34 WeakPolarHBondContact CB-SG 3.3Å; C16-C34 PolarHBondContact N-SG 3.32Å; C16-C34 WeakPolarHBondContact SG-CB 3.22Å; C16-C34 CovalentContact SG-SG 2.03Å; C16-C34 PolarHBondContact SG-SG 2.98Å
35C87.3Confident82.3Confident3 Ų3106.2 Ų106.22%0.0251%0.506CS..EExtended strand (participates in β ladder)trans-103.1144.7172.8-79.90000111.4F44 Y45 C47C35-F44 CarbonylContact O-C 3.59Å; C35-F44 VanDerWaalsContact O-CA 3.27Å; C35-F44 WeakPolarHBondContact O-CA 3.46Å; C35-Y45 HydrophobicContact CB-CD1 4.04Å; C35-Y45 HydrophobicContact CB-CD2 4.37Å; C35-Y45 HydrophobicContact CB-CE1 3.52Å; C35-Y45 HydrophobicContact CB-CE2 3.89Å; C35-Y45 HydrophobicContact CB-CG 4.44Å; C35-Y45 VanDerWaalsContact CB-CZ 3.43Å; C35-Y45 PolarHBondContact N-O 3.11Å; C35-Y45 WeakPolarHBondContact O-CD1 3.5Å; C35-Y45 PolarHBondContact O-N 3.25Å; C35-C47 HydrophobicContact CB-CB 3.71Å; C35-C47 WeakPolarHBondContact CB-SG 3.42Å; C35-C47 WeakPolarHBondContact SG-CB 3.34Å; C35-C47 CovalentContact SG-SG 2.02Å; C35-C47 PolarHBondContact SG-SG 3.42Å
36K86.1Confident83.1Confident165 Ų16596.4 Ų96.472%0.71747%0.47SS*.EExtended strand (participates in β ladder)trans-74.2129173.2-72.5178.8-179.3175.80110.4F44 Y45K36-F44 HydrophobicContact CG-CD1 4.09Å; K36-F44 HydrophobicContact CG-CE1 3.58Å; K36-F44 HydrophobicContact CG-CZ 4.29Å; K36-Y45 WeakPolarHBondContact O-CE1 3.27Å
37S82.3Confident83.4Confident32 Ų3287.3 Ų87.322%0.22443%0.431CS..PPolyproline II helixtrans-68.1136.8175.2-176.40000111V39 Q40 D43S37-V39 PolarHBondContact OG-N 3Å; S37-Q40 PolarHBondContact OG-N 3.05Å; S37-D43 WeakPolarHBondContact CB-O 3.35Å; S37-D43 PolarHBondContact N-O 3.25Å
38K79.2Confident83.8Confident188 Ų18886.5 Ų86.582%0.81743%0.427SS*.SBendtrans-82.8-23.8170.6-66.6-171177.6-1710112.8
39V78.8Confident83.8Confident137 Ų13785.7 Ų85.783%0.8343%0.425SS*.SBendtrans-79.2-36.9-174.3-177.40000110.5S37S37-V39 PolarHBondContact OG-N 3Å
40Q78.2Confident84.1Confident119 Ų11977 Ų7756%0.55640%0.403SS*.SBendtrans-133109.7-176.1-160.4155.120.100109.7S37 G42 D43S37-Q40 PolarHBondContact OG-N 3.05Å; Q40-G42 PolarHBondContact O-N 3.22Å; Q40-D43 HydrophobicContact CB-CB 4.21Å; Q40-D43 VanDerWaalsContact CG-OD2 3.23Å; Q40-D43 WeakPolarHBondContact CG-OD2 3.06Å; Q40-D43 PolarHBondContact O-N 3.43Å; Q40-D43 PolarHBondContact OE1-OD2 3.38Å; Q40-D43 VanDerWaalsContact OE1-OD2 3.12Å
41P79.2Confident84.1Confident128 Ų12872.6 Ų72.683%0.83139%0.386SS*.THydrogen-bonded Turntrans-64.9124.4-17825.4-32.2000109.9
42G76.6Confident84Confident62 Ų6273.4 Ų73.464%0.63939%0.389SS*.THydrogen-bonded Turntrans101.4-13.8-178.500000114.6Q40 F44Q40-G42 PolarHBondContact O-N 3.22Å; G42-F44 WeakPolarHBondContact O-CE2 3.44Å
43D84.9Confident83.8Confident62 Ų6273.7 Ų73.733%0.33239%0.392SS..  trans-86.9151.6173.6-83.8-47.5000112.8S37 Q40S37-D43 WeakPolarHBondContact CB-O 3.35Å; S37-D43 PolarHBondContact N-O 3.25Å; Q40-D43 HydrophobicContact CB-CB 4.21Å; Q40-D43 VanDerWaalsContact CG-OD2 3.23Å; Q40-D43 WeakPolarHBondContact CG-OD2 3.06Å; Q40-D43 PolarHBondContact O-N 3.43Å; Q40-D43 PolarHBondContact OE1-OD2 3.38Å; Q40-D43 VanDerWaalsContact OE1-OD2 3.12Å
44F85.3Confident83.4Confident49 Ų4975.3 Ų75.322%0.21540%0.403CS..EExtended strand (participates in β ladder)trans-122.4142.6178.7-62.8-92.6000110.3C16 P17 N18 C35 K36 G42C16-F44 HydrophobicContact CB-CB 4.12Å; C16-F44 HydrophobicContact CB-CG 4.48Å; P17-F44 HydrophobicContact CB-CD2 4.36Å; P17-F44 HydrophobicContact CB-CE2 3.74Å; P17-F44 HydrophobicContact CB-CZ 3.84Å; P17-F44 HydrophobicContact CG-CD1 4.37Å; P17-F44 HydrophobicContact CG-CD2 4.43Å; P17-F44 HydrophobicContact CG-CE1 3.82Å; P17-F44 HydrophobicContact CG-CE2 3.9Å; P17-F44 HydrophobicContact CG-CZ 3.56Å; N18-F44 HydrophobicContact CB-CD2 4.19Å; C35-F44 CarbonylContact O-C 3.59Å; C35-F44 VanDerWaalsContact O-CA 3.27Å; C35-F44 WeakPolarHBondContact O-CA 3.46Å; K36-F44 HydrophobicContact CG-CD1 4.09Å; K36-F44 HydrophobicContact CG-CE1 3.58Å; K36-F44 HydrophobicContact CG-CZ 4.29Å; G42-F44 WeakPolarHBondContact O-CE2 3.44Å
45Y87.2Confident82.6Confident102 Ų10276.1 Ų76.140%0.441%0.409SS..EExtended strand (participates in β ladder)trans-126.6155.7172.871-81.6000110.2C35 K36 C47C35-Y45 HydrophobicContact CB-CD1 4.04Å; C35-Y45 HydrophobicContact CB-CD2 4.37Å; C35-Y45 HydrophobicContact CB-CE1 3.52Å; C35-Y45 HydrophobicContact CB-CE2 3.89Å; C35-Y45 HydrophobicContact CB-CG 4.44Å; C35-Y45 VanDerWaalsContact CB-CZ 3.43Å; C35-Y45 PolarHBondContact N-O 3.11Å; C35-Y45 WeakPolarHBondContact O-CD1 3.5Å; C35-Y45 PolarHBondContact O-N 3.25Å; K36-Y45 WeakPolarHBondContact O-CE1 3.27Å; Y45-C47 HydrophobicContact CD2-CB 4.27Å; Y45-C47 HydrophobicContact CE2-CB 3.77Å
46C88.7Confident81.7Confident19 Ų1981.4 Ų81.413%0.12843%0.434CS..EExtended strand (participates in β ladder)trans-80.5131.7177.3-56.70000109.9C22 D27 E31 F33C22-C46 WeakPolarHBondContact CA-SG 3.34Å; C22-C46 HydrophobicContact CB-CB 3.81Å; C22-C46 WeakPolarHBondContact CB-SG 3.27Å; C22-C46 WeakPolarHBondContact SG-CA 2.94Å; C22-C46 WeakPolarHBondContact SG-CB 3.4Å; C22-C46 CovalentContact SG-SG 2.04Å; C22-C46 PolarHBondContact SG-SG 3.12Å; D27-C46 HydrophobicContact CB-CB 4.47Å; D27-C46 VanDerWaalsContact OD2-CB 3.3Å; D27-C46 WeakPolarHBondContact OD2-CB 3.4Å; D27-C46 PolarHBondContact OD2-SG 3.4Å; D27-C46 VanDerWaalsContact OD2-SG 3.36Å; E31-C46 HydrophobicContact CB-CB 4.24Å; E31-C46 WeakPolarHBondContact O-CB 3.28Å; F33-C46 CarbonylContact O-C 3.5Å; F33-C46 VanDerWaalsContact O-CA 3.32Å; F33-C46 WeakPolarHBondContact O-CA 3.35Å
47C88.3Confident80.6Confident2 Ų280.8 Ų80.81%0.01443%0.428CS..EExtended strand (participates in β ladder)trans-137.6159.7-175.863.10000110.5E31 F33 C35 Y45 T51E31-C47 CarbonylContact C-O 3.5Å; E31-C47 WeakPolarHBondContact CA-O 3.29Å; F33-C47 WeakPolarHBondContact CB-O 3.38Å; F33-C47 PolarHBondContact N-O 3.19Å; F33-C47 PolarHBondContact O-N 3.29Å; F33-C47 PolarHBondContact O-SG 3.01Å; F33-C47 VanDerWaalsContact O-SG 3.36Å; C35-C47 HydrophobicContact CB-CB 3.71Å; C35-C47 WeakPolarHBondContact CB-SG 3.42Å; C35-C47 WeakPolarHBondContact SG-CB 3.34Å; C35-C47 CovalentContact SG-SG 2.02Å; C35-C47 PolarHBondContact SG-SG 3.42Å; Y45-C47 HydrophobicContact CD2-CB 4.27Å; Y45-C47 HydrophobicContact CE2-CB 3.77Å; C47-T51 HydrophobicContact CB-CG2 4Å
48D89.5Confident79.6Confident46 Ų4685.6 Ų85.625%0.24645%0.445CS..  trans-76.5164.6171.769.1-66.3000111.4A50 T51 K52D48-A50 VanDerWaalsContact C-N 3.27Å; D48-A50 PolarHBondContact O-N 2.98Å; D48-A50 WeakPolarHBondContact OD2-CA 3.3Å; D48-A50 WeakPolarHBondContact OD2-CB 3.14Å; D48-A50 PolarHBondContact OD2-N 3.47Å; D48-T51 PolarHBondContact O-N 3Å; D48-T51 WeakPolarHBondContact OD1-CB 3.28Å; D48-T51 PolarHBondContact OD1-OG1 3.16Å; D48-T51 PolarHBondContact OD2-N 3.49Å; D48-T51 VanDerWaalsContact OD2-N 3.08Å; D48-K52 PolarHBondContact O-N 3.49Å
49Y84Confident78.6Confident160 Ų16078.1 Ų78.163%0.62742%0.422SS*.Hα-helixtrans-58.7-37.5180-177-99.6000112.8F33 K52 A53F33-Y49 HydrophobicContact CE1-CD2 4.17Å; F33-Y49 HydrophobicContact CE2-CD2 4.13Å; F33-Y49 HydrophobicContact CE2-CG 4.4Å; F33-Y49 AromaticContact CZ-CD2 3.76Å; F33-Y49 HydrophobicContact CZ-CD2 3.76Å; F33-Y49 HydrophobicContact CZ-CG 4.44Å; Y49-K52 PolarHBondContact O-N 2.96Å; Y49-A53 WeakPolarHBondContact O-CB 3.21Å; Y49-A53 PolarHBondContact O-N 3.26Å
50A84.2Confident77.6Confident51 Ų5176.9 Ų76.942%0.42141%0.41SS..Hα-helixtrans-69.3-39.5-178.900000110.7D48 N54D48-A50 VanDerWaalsContact C-N 3.27Å; D48-A50 PolarHBondContact O-N 2.98Å; D48-A50 WeakPolarHBondContact OD2-CA 3.3Å; D48-A50 WeakPolarHBondContact OD2-CB 3.14Å; D48-A50 PolarHBondContact OD2-N 3.47Å; A50-N54 WeakPolarHBondContact O-CB 3.37Å; A50-N54 VanDerWaalsContact O-CG 3.3Å; A50-N54 PolarHBondContact O-N 3.29Å; A50-N54 PolarHBondContact O-ND2 3.09Å
51T83.8Confident76.6Confident51 Ų5175.2 Ų75.231%0.31340%0.404SS..Hα-helixtrans-64.5-43.2173.1-63.10000111.9C47 D48 A53 N54 S55C47-T51 HydrophobicContact CB-CG2 4Å; D48-T51 PolarHBondContact O-N 3Å; D48-T51 WeakPolarHBondContact OD1-CB 3.28Å; D48-T51 PolarHBondContact OD1-OG1 3.16Å; D48-T51 PolarHBondContact OD2-N 3.49Å; D48-T51 VanDerWaalsContact OD2-N 3.08Å; T51-A53 PolarHBondContact O-N 3.41Å; T51-N54 PolarHBondContact O-N 3.02Å; T51-S55 WeakPolarHBondContact O-CB 3.2Å; T51-S55 PolarHBondContact O-N 3.5Å; T51-S55 PolarHBondContact O-OG 3.26Å
52K82Confident75.7Confident64 Ų6472.9 Ų72.928%0.27839%0.391SS..Hα-helixtrans-56.7-53.2176-174-177.8-177.5177.40111.1F33 D48 Y49 N54 S55 E56F33-K52 HydrophobicContact CB-CB 4.47Å; F33-K52 HydrophobicContact CB-CD 4Å; F33-K52 HydrophobicContact CD1-CD 3.85Å; F33-K52 HydrophobicContact CG-CD 4.1Å; D48-K52 PolarHBondContact O-N 3.49Å; Y49-K52 PolarHBondContact O-N 2.96Å; K52-N54 PolarHBondContact O-N 2.85Å; K52-S55 PolarHBondContact O-N 2.99Å; K52-S55 VanDerWaalsContact O-N 3.14Å; K52-S55 PolarHBondContact O-OG 2.71Å; K52-E56 PolarHBondContact O-N 3.37Å; K52-E56 VanDerWaalsContact O-N 3.13Å
53A80.5Confident75Confident22 Ų2276.7 Ų76.718%0.18239%0.392CS..Hα-helixtrans-55.2-52178.200000110.8Y49 T51 S55 E56 Y57Y49-A53 WeakPolarHBondContact O-CB 3.21Å; Y49-A53 PolarHBondContact O-N 3.26Å; T51-A53 PolarHBondContact O-N 3.41Å; A53-S55 VanDerWaalsContact C-N 3.26Å; A53-S55 PolarHBondContact O-N 3.16Å; A53-E56 PolarHBondContact O-N 3.03Å; A53-Y57 HydrophobicContact CB-CD2 4.33Å; A53-Y57 HydrophobicContact CB-CE2 4.1Å; A53-Y57 WeakPolarHBondContact O-CD2 2.97Å; A53-Y57 PolarHBondContact O-N 3.09Å
54N78Confident74.1Confident90 Ų9078.9 Ų78.948%0.48140%0.4SS..Hα-helixtrans-60-33.9180-78.5-53.7000113.5A50 T51 K52 K58A50-N54 WeakPolarHBondContact O-CB 3.37Å; A50-N54 VanDerWaalsContact O-CG 3.3Å; A50-N54 PolarHBondContact O-N 3.29Å; A50-N54 PolarHBondContact O-ND2 3.09Å; T51-N54 PolarHBondContact O-N 3.02Å; K52-N54 PolarHBondContact O-N 2.85Å; N54-K58 VanDerWaalsContact O-CB 3.28Å; N54-K58 WeakPolarHBondContact O-CB 2.97Å; N54-K58 VanDerWaalsContact O-CG 3.25Å; N54-K58 WeakPolarHBondContact O-CG 3.38Å; N54-K58 PolarHBondContact O-N 3.27Å
55S70.3Confident73.3Confident46 Ų4680.3 Ų80.332%0.32241%0.409SS..Hα-helixtrans-71.7-39.8179.673.30000112.6T51 K52 A53 G59T51-S55 WeakPolarHBondContact O-CB 3.2Å; T51-S55 PolarHBondContact O-N 3.5Å; T51-S55 PolarHBondContact O-OG 3.26Å; K52-S55 PolarHBondContact O-N 2.99Å; K52-S55 VanDerWaalsContact O-N 3.14Å; K52-S55 PolarHBondContact O-OG 2.71Å; A53-S55 VanDerWaalsContact C-N 3.26Å; A53-S55 PolarHBondContact O-N 3.16Å; S55-G59 PolarHBondContact O-N 3.27Å
56E68.1Low72.6Confident115 Ų11579 Ų7954%0.53742%0.42SS..Hα-helixtrans-69.7-44.3176.9-70.5-177.4158.700111K52 A53 K58 G59 L60K52-E56 PolarHBondContact O-N 3.37Å; K52-E56 VanDerWaalsContact O-N 3.13Å; A53-E56 PolarHBondContact O-N 3.03Å; E56-K58 PolarHBondContact O-N 3.47Å; E56-G59 PolarHBondContact O-N 3.48Å; E56-L60 PolarHBondContact O-N 3.31Å; E56-L60 VanDerWaalsContact O-N 3.17Å
57Y63Low72.2Confident152 Ų15285 Ų8560%0.59645%0.446SS*.Hα-helixtrans-61.5-46175.3-72.3-64.5000111.4A53 G59 L61A53-Y57 HydrophobicContact CB-CD2 4.33Å; A53-Y57 HydrophobicContact CB-CE2 4.1Å; A53-Y57 WeakPolarHBondContact O-CD2 2.97Å; A53-Y57 PolarHBondContact O-N 3.09Å; Y57-G59 PolarHBondContact O-N 3.48Å; Y57-L61 WeakPolarHBondContact O-CB 3.28Å; Y57-L61 VanDerWaalsContact O-CD1 3.28Å; Y57-L61 WeakPolarHBondContact O-CD1 3.09Å; Y57-L61 WeakPolarHBondContact O-CG 3.21Å; Y57-L61 PolarHBondContact O-N 3.12Å
58K61.3Low71.9Confident132 Ų13289.9 Ų89.957%0.57447%0.472SS*.Hα-helixtrans-65.9-36.4-179.8-77.4179178.7178.80112.9N54 E56 S62N54-K58 VanDerWaalsContact O-CB 3.28Å; N54-K58 WeakPolarHBondContact O-CB 2.97Å; N54-K58 VanDerWaalsContact O-CG 3.25Å; N54-K58 WeakPolarHBondContact O-CG 3.38Å; N54-K58 PolarHBondContact O-N 3.27Å; E56-K58 PolarHBondContact O-N 3.47Å; K58-S62 WeakPolarHBondContact O-CB 2.92Å; K58-S62 PolarHBondContact O-N 3.41Å; K58-S62 PolarHBondContact O-OG 3.45Å
59G58.3Low71.7Confident32 Ų3292 Ų9233%0.3349%0.486SS..Hα-helixtrans-62.7-51.2177.500000112S55 E56 Y57 S62S55-G59 PolarHBondContact O-N 3.27Å; E56-G59 PolarHBondContact O-N 3.48Å; Y57-G59 PolarHBondContact O-N 3.48Å; G59-S62 PolarHBondContact O-OG 3.02Å
60L57.9Low71.9Confident111 Ų11186.5 Ų86.558%0.58148%0.478SS*.Hα-helixtrans-69.6-38.7178-91.179.5000112.6E56 H64E56-L60 PolarHBondContact O-N 3.31Å; E56-L60 VanDerWaalsContact O-N 3.17Å; L60-H64 PolarHBondContact O-CD2 3.05Å; L60-H64 VanDerWaalsContact O-CD2 3.28Å; L60-H64 PolarHBondContact O-N 2.8Å
61L56.6Low72.1Confident83 Ų8386.2 Ų86.244%0.43548%0.48SS..Hα-helixtrans-68.2-40.2-179.5-79.2160000111Y57 E63 H64 L65Y57-L61 WeakPolarHBondContact O-CB 3.28Å; Y57-L61 VanDerWaalsContact O-CD1 3.28Å; Y57-L61 WeakPolarHBondContact O-CD1 3.09Å; Y57-L61 WeakPolarHBondContact O-CG 3.21Å; Y57-L61 PolarHBondContact O-N 3.12Å; L61-E63 VanDerWaalsContact C-N 3.27Å; L61-E63 PolarHBondContact O-N 2.86Å; L61-H64 PolarHBondContact O-N 3.48Å; L61-L65 HydrophobicContact CB-CD1 3.71Å; L61-L65 HydrophobicContact CB-CG 4.03Å; L61-L65 HydrophobicContact CD2-CD1 4.1Å; L61-L65 HydrophobicContact CD2-CD2 4.03Å; L61-L65 HydrophobicContact CD2-CG 3.9Å; L61-L65 HydrophobicContact CG-CD1 4.49Å; L61-L65 WeakPolarHBondContact O-CA 3.25Å; L61-L65 WeakPolarHBondContact O-CB 3.45Å; L61-L65 WeakPolarHBondContact O-CD1 3.4Å; L61-L65 WeakPolarHBondContact O-CG 3.08Å; L61-L65 PolarHBondContact O-N 3.39Å
62S60.5Low72.5Confident80 Ų8089.6 Ų89.656%0.55950%0.495SS*.Hα-helixtrans-65.2-32.9-178.954.50000113.4K58 G59K58-S62 WeakPolarHBondContact O-CB 2.92Å; K58-S62 PolarHBondContact O-N 3.41Å; K58-S62 PolarHBondContact O-OG 3.45Å; G59-S62 PolarHBondContact O-OG 3.02Å
63E63.7Low73.1Confident142 Ų14292.1 Ų92.166%0.66451%0.511SS*.Hα-helixtrans-75.3-40.4179.8-68178.7159.900111.2L61L61-E63 VanDerWaalsContact C-N 3.27Å; L61-E63 PolarHBondContact O-N 2.86Å
64H64.6Low73.7Confident108 Ų10893.1 Ų93.150%0.552%0.523SS..Hα-helixtrans-93.6-20.2-177.9-63.4-53.7000114.9L60 L61 E67 L68L60-H64 PolarHBondContact O-CD2 3.05Å; L60-H64 VanDerWaalsContact O-CD2 3.28Å; L60-H64 PolarHBondContact O-N 2.8Å; L61-H64 PolarHBondContact O-N 3.48Å; H64-E67 PolarHBondContact O-N 2.96Å; H64-L68 WeakPolarHBondContact O-CB 3.28Å; H64-L68 PolarHBondContact O-N 2.87Å
65L68.5Low74.5Confident78 Ų7891.6 Ų91.641%0.40852%0.523SS..Hα-helixtrans-67.8-39-179.7-80.1170.9000111.4L61 E67 L68 V69L61-L65 HydrophobicContact CB-CD1 3.71Å; L61-L65 HydrophobicContact CB-CG 4.03Å; L61-L65 HydrophobicContact CD2-CD1 4.1Å; L61-L65 HydrophobicContact CD2-CD2 4.03Å; L61-L65 HydrophobicContact CD2-CG 3.9Å; L61-L65 HydrophobicContact CG-CD1 4.49Å; L61-L65 WeakPolarHBondContact O-CA 3.25Å; L61-L65 WeakPolarHBondContact O-CB 3.45Å; L61-L65 WeakPolarHBondContact O-CD1 3.4Å; L61-L65 WeakPolarHBondContact O-CG 3.08Å; L61-L65 PolarHBondContact O-N 3.39Å; L65-E67 VanDerWaalsContact C-N 3.3Å; L65-E67 PolarHBondContact O-N 3.27Å; L65-L68 PolarHBondContact O-N 3.41Å; L65-V69 WeakPolarHBondContact O-CB 3.34Å; L65-V69 WeakPolarHBondContact O-CG2 3.18Å; L65-V69 PolarHBondContact O-N 3.11Å
66A73.2Confident75.6Confident76 Ų7692.2 Ų92.263%0.62853%0.531SS*.Hα-helixtrans-62.7-41.9177.900000110.9G70A66-G70 PolarHBondContact O-N 3.46Å
67E79.5Confident77Confident143 Ų14390.5 Ų90.567%0.66853%0.528SS*.Hα-helixtrans-69.2-43176.9-169172.3-171.500111.9H64 L65 G70 G71H64-E67 PolarHBondContact O-N 2.96Å; L65-E67 VanDerWaalsContact C-N 3.3Å; L65-E67 PolarHBondContact O-N 3.27Å; E67-G70 PolarHBondContact O-N 3.27Å; E67-G71 PolarHBondContact O-N 2.91Å
68L82.7Confident78.5Confident106 Ų10688.7 Ų88.756%0.55553%0.528SS*.Hα-helixtrans-65.6-45.8178.7-171.571.3000111.7H64 L65 G71 L72H64-L68 WeakPolarHBondContact O-CB 3.28Å; H64-L68 PolarHBondContact O-N 2.87Å; L65-L68 PolarHBondContact O-N 3.41Å; L68-G71 PolarHBondContact O-N 3.42Å; L68-L72 HydrophobicContact CD1-CD1 4.22Å; L68-L72 HydrophobicContact CG-CD1 4.22Å; L68-L72 WeakPolarHBondContact O-CB 3.39Å; L68-L72 PolarHBondContact O-N 2.87Å
69V85.5Confident80.1Confident91 Ų9187.9 Ų87.955%0.55253%0.53SS*.Hα-helixtrans-68.1-41.4179.2174.50000110.4L65 L73L65-V69 WeakPolarHBondContact O-CB 3.34Å; L65-V69 WeakPolarHBondContact O-CG2 3.18Å; L65-V69 PolarHBondContact O-N 3.11Å; V69-L73 VanDerWaalsContact O-CB 3.3Å; V69-L73 WeakPolarHBondContact O-CB 3.4Å; V69-L73 PolarHBondContact O-N 2.92Å
70G87Confident81.8Confident44 Ų4491.3 Ų91.345%0.45454%0.54SS..Hα-helixtrans-62.7-44.6174.800000112.4A66 E67 L73 G74A66-G70 PolarHBondContact O-N 3.46Å; E67-G70 PolarHBondContact O-N 3.27Å; G70-L73 PolarHBondContact O-N 3.29Å; G70-G74 PolarHBondContact O-N 3.43Å
71G89.8Confident83.5Confident44 Ų4490.5 Ų90.545%0.45454%0.535SS..Hα-helixtrans-63.7-46.6176.700000112.7E67 L68 L73 G74 A75E67-G71 PolarHBondContact O-N 2.91Å; L68-G71 PolarHBondContact O-N 3.42Å; G71-L73 PolarHBondContact O-N 2.82Å; G71-G74 PolarHBondContact O-N 3.31Å; G71-A75 VanDerWaalsContact O-CB 3.28Å; G71-A75 WeakPolarHBondContact O-CB 3.42Å; G71-A75 PolarHBondContact O-N 3.48Å
72L92.4Very high85.3Confident122 Ų12290 Ų9064%0.63954%0.536SS*.Hα-helixtrans-61.7-45.2177-112.9103.6000111.8L68 A75 A76L68-L72 HydrophobicContact CD1-CD1 4.22Å; L68-L72 HydrophobicContact CG-CD1 4.22Å; L68-L72 WeakPolarHBondContact O-CB 3.39Å; L68-L72 PolarHBondContact O-N 2.87Å; L72-A75 PolarHBondContact O-N 3.41Å; L72-A76 WeakPolarHBondContact O-CB 3.05Å; L72-A76 PolarHBondContact O-N 2.9Å
73L92.8Very high86.7Confident118 Ų11889.7 Ų89.762%0.61853%0.53SS*.Hα-helixtrans-66.2-42.2-179.9-170.365.7000111V69 G70 G71 A76 V77V69-L73 VanDerWaalsContact O-CB 3.3Å; V69-L73 WeakPolarHBondContact O-CB 3.4Å; V69-L73 PolarHBondContact O-N 2.92Å; G70-L73 PolarHBondContact O-N 3.29Å; G71-L73 PolarHBondContact O-N 2.82Å; L73-A76 PolarHBondContact O-N 3.02Å; L73-V77 VanDerWaalsContact O-CG2 3.29Å; L73-V77 WeakPolarHBondContact O-CG2 3.33Å; L73-V77 PolarHBondContact O-N 3.29Å
74G93.6Very high87.8Confident42 Ų4286.9 Ų86.943%0.43352%0.519SS..Hα-helixtrans-62.5-45.6175.400000112.8G70 G71 A76 V77 L78G70-G74 PolarHBondContact O-N 3.43Å; G71-G74 PolarHBondContact O-N 3.31Å; G74-A76 PolarHBondContact O-N 2.95Å; G74-V77 PolarHBondContact O-N 3.23Å; G74-L78 WeakPolarHBondContact O-CB 3.39Å; G74-L78 PolarHBondContact O-N 2.9Å
75A94.8Very high89Confident58 Ų5883.5 Ų83.548%0.47951%0.51SS..Hα-helixtrans-63.1-41.717700000112G71 L72 L78 L79G71-A75 VanDerWaalsContact O-CB 3.28Å; G71-A75 WeakPolarHBondContact O-CB 3.42Å; G71-A75 PolarHBondContact O-N 3.48Å; L72-A75 PolarHBondContact O-N 3.41Å; A75-L78 PolarHBondContact O-N 3.43Å; A75-L79 VanDerWaalsContact O-CB 3.27Å; A75-L79 WeakPolarHBondContact O-CB 3.46Å; A75-L79 PolarHBondContact O-N 3.05Å
76A94.4Very high89.9Confident59 Ų5984.6 Ų84.649%0.48852%0.515SS..Hα-helixtrans-63-43.4176.900000112.1L72 L73 G74 L80L72-A76 WeakPolarHBondContact O-CB 3.05Å; L72-A76 PolarHBondContact O-N 2.9Å; L73-A76 PolarHBondContact O-N 3.02Å; G74-A76 PolarHBondContact O-N 2.95Å; A76-L80 WeakPolarHBondContact O-CB 3.42Å; A76-L80 PolarHBondContact O-N 2.92Å
77V96.1Very high90.5Very high80 Ų8082.8 Ų82.849%0.48550%0.498SS..Hα-helixtrans-66.2-44177.1173.30000111.1L73 G74 L79 L80 I81L73-V77 VanDerWaalsContact O-CG2 3.29Å; L73-V77 WeakPolarHBondContact O-CG2 3.33Å; L73-V77 PolarHBondContact O-N 3.29Å; G74-V77 PolarHBondContact O-N 3.23Å; V77-L79 PolarHBondContact O-N 3Å; V77-L80 PolarHBondContact O-N 3.43Å; V77-I81 HydrophobicContact CG1-CD1 4.01Å; V77-I81 WeakPolarHBondContact O-CG1 3.27Å; V77-I81 PolarHBondContact O-N 3.37Å
78L95.3Very high90.5Very high113 Ų11384.1 Ų84.159%0.59250%0.501SS*.Hα-helixtrans-61.8-45.3177.6-171.871.9000111.4G74 A75 L80 I81 V82G74-L78 WeakPolarHBondContact O-CB 3.39Å; G74-L78 PolarHBondContact O-N 2.9Å; A75-L78 PolarHBondContact O-N 3.43Å; L78-L80 VanDerWaalsContact C-N 3.31Å; L78-L80 PolarHBondContact O-N 3.5Å; L78-I81 PolarHBondContact O-N 3.5Å; L78-V82 WeakPolarHBondContact O-CG2 3.04Å; L78-V82 PolarHBondContact O-N 3.47Å
79L95Very high90.3Very high116 Ų11688.5 Ų88.561%0.60751%0.512SS*.Hα-helixtrans-60.5-42.7177.1-170.5152.8000111A75 V77 I81 V82 V83A75-L79 VanDerWaalsContact O-CB 3.27Å; A75-L79 WeakPolarHBondContact O-CB 3.46Å; A75-L79 PolarHBondContact O-N 3.05Å; V77-L79 PolarHBondContact O-N 3Å; L79-I81 PolarHBondContact O-N 2.95Å; L79-V82 PolarHBondContact O-N 2.87Å; L79-V83 HydrophobicContact CD2-CG2 3.89Å; L79-V83 WeakPolarHBondContact O-CB 3.37Å; L79-V83 VanDerWaalsContact O-CG2 3.28Å; L79-V83 WeakPolarHBondContact O-CG2 3.4Å; L79-V83 PolarHBondContact O-N 2.82Å
80L93.5Very high89.8Confident103 Ų10387 Ų8754%0.53951%0.505SS..Hα-helixtrans-61.5-43.5176.4-173.3146.3000111.8A76 V77 L78 V83 L84A76-L80 WeakPolarHBondContact O-CB 3.42Å; A76-L80 PolarHBondContact O-N 2.92Å; V77-L80 PolarHBondContact O-N 3.43Å; L78-L80 VanDerWaalsContact C-N 3.31Å; L78-L80 PolarHBondContact O-N 3.5Å; L80-V83 PolarHBondContact O-N 2.89Å; L80-L84 HydrophobicContact CD2-CD1 3.59Å; L80-L84 HydrophobicContact CD2-CG 4.19Å; L80-L84 WeakPolarHBondContact O-CB 3.02Å; L80-L84 VanDerWaalsContact O-CG 3.3Å; L80-L84 WeakPolarHBondContact O-CG 3.3Å; L80-L84 PolarHBondContact O-N 3.47Å
81I94.5Very high88.8Confident94 Ų9495.3 Ų95.348%0.48253%0.528SS..Hα-helixtrans-62.2-45176.2-67.1165.9000111V77 L78 L79 L84 A85V77-I81 HydrophobicContact CG1-CD1 4.01Å; V77-I81 WeakPolarHBondContact O-CG1 3.27Å; V77-I81 PolarHBondContact O-N 3.37Å; L78-I81 PolarHBondContact O-N 3.5Å; L79-I81 PolarHBondContact O-N 2.95Å; I81-L84 PolarHBondContact O-N 3.49Å; I81-A85 WeakPolarHBondContact O-CB 3.27Å; I81-A85 PolarHBondContact O-N 2.82Å
82V93.4Very high87.5Confident74 Ų7497.5 Ų97.545%0.44854%0.536SS..Hα-helixtrans-62.3-45.4178.4171.40000110.9L78 L79 L84 A85 I86L78-V82 WeakPolarHBondContact O-CG2 3.04Å; L78-V82 PolarHBondContact O-N 3.47Å; L79-V82 PolarHBondContact O-N 2.87Å; V82-L84 VanDerWaalsContact C-N 3.33Å; V82-L84 PolarHBondContact O-N 3.49Å; V82-A85 PolarHBondContact O-N 3.41Å; V82-I86 HydrophobicContact CG1-CD1 3.71Å; V82-I86 HydrophobicContact CG1-CG1 4.41Å; V82-I86 VanDerWaalsContact O-CG1 3.27Å; V82-I86 WeakPolarHBondContact O-CG1 3.5Å; V82-I86 PolarHBondContact O-N 2.9Å
83V90Very high86.2Confident72 Ų7294 Ų9444%0.43652%0.521SS..Hα-helixtrans-60-45.3175.7170.70000110.4L79 L80 C87L79-V83 HydrophobicContact CD2-CG2 3.89Å; L79-V83 WeakPolarHBondContact O-CB 3.37Å; L79-V83 VanDerWaalsContact O-CG2 3.28Å; L79-V83 WeakPolarHBondContact O-CG2 3.4Å; L79-V83 PolarHBondContact O-N 2.82Å; L80-V83 PolarHBondContact O-N 2.89Å; V83-C87 WeakPolarHBondContact O-CB 3.32Å; V83-C87 PolarHBondContact O-N 3.49Å; V83-C87 PolarHBondContact O-SG 2.82Å
84L87.7Confident84.4Confident84 Ų8491.4 Ų91.444%0.4452%0.517SS..Hα-helixtrans-61.7-46.4176.4-73.3179.5000111.8L80 I81 V82 C87 F88L80-L84 HydrophobicContact CD2-CD1 3.59Å; L80-L84 HydrophobicContact CD2-CG 4.19Å; L80-L84 WeakPolarHBondContact O-CB 3.02Å; L80-L84 VanDerWaalsContact O-CG 3.3Å; L80-L84 WeakPolarHBondContact O-CG 3.3Å; L80-L84 PolarHBondContact O-N 3.47Å; I81-L84 PolarHBondContact O-N 3.49Å; V82-L84 VanDerWaalsContact C-N 3.33Å; V82-L84 PolarHBondContact O-N 3.49Å; L84-C87 CarbonylContact O-C 3.5Å; L84-C87 WeakPolarHBondContact O-CA 3.44Å; L84-C87 WeakPolarHBondContact O-CB 3.07Å; L84-C87 PolarHBondContact O-N 2.99Å; L84-C87 VanDerWaalsContact O-N 3.11Å; L84-F88 HydrophobicContact CB-CD2 4.38Å; L84-F88 HydrophobicContact CB-CE2 4.32Å; L84-F88 WeakPolarHBondContact O-CD2 3.27Å; L84-F88 PolarHBondContact O-N 3.46Å
85A88.4Confident82.7Confident37 Ų3796.1 Ų96.131%0.30653%0.531SS..Hα-helixtrans-58.5-51.7178.400000111I81 V82 C87 F88 Y89I81-A85 WeakPolarHBondContact O-CB 3.27Å; I81-A85 PolarHBondContact O-N 2.82Å; V82-A85 PolarHBondContact O-N 3.41Å; A85-C87 PolarHBondContact O-N 2.94Å; A85-F88 PolarHBondContact O-N 3.41Å; A85-Y89 HydrophobicContact CB-CD2 4.43Å; A85-Y89 HydrophobicContact CB-CE2 4.24Å; A85-Y89 WeakPolarHBondContact O-CD2 3.47Å; A85-Y89 PolarHBondContact O-N 2.8Å
86I87.7Confident80.8Confident100 Ų100101.9 Ų101.951%0.51354%0.542SS..Hα-helixtrans-57.5-40.4175.7-64.4166.5000110.1V82 F88 Y89 C90V82-I86 HydrophobicContact CG1-CD1 3.71Å; V82-I86 HydrophobicContact CG1-CG1 4.41Å; V82-I86 VanDerWaalsContact O-CG1 3.27Å; V82-I86 WeakPolarHBondContact O-CG1 3.5Å; V82-I86 PolarHBondContact O-N 2.9Å; I86-F88 PolarHBondContact O-N 2.72Å; I86-Y89 PolarHBondContact O-N 3.41Å; I86-C90 VanDerWaalsContact O-CB 3.31Å; I86-C90 WeakPolarHBondContact O-CB 3.24Å; I86-C90 PolarHBondContact O-N 3.31Å
87C85.5Confident79Confident39 Ų39105.7 Ų105.726%0.26455%0.547SS..Hα-helixtrans-65.7-34.9176.8-72.60000113.8V83 L84 A85 C93V83-C87 WeakPolarHBondContact O-CB 3.32Å; V83-C87 PolarHBondContact O-N 3.49Å; V83-C87 PolarHBondContact O-SG 2.82Å; L84-C87 CarbonylContact O-C 3.5Å; L84-C87 WeakPolarHBondContact O-CA 3.44Å; L84-C87 WeakPolarHBondContact O-CB 3.07Å; L84-C87 PolarHBondContact O-N 2.99Å; L84-C87 VanDerWaalsContact O-N 3.11Å; A85-C87 PolarHBondContact O-N 2.94Å; C87-C93 WeakPolarHBondContact CA-SG 3.05Å; C87-C93 HydrophobicContact CB-CB 4.25Å; C87-C93 WeakPolarHBondContact CB-SG 3.21Å; C87-C93 VanDerWaalsContact O-CB 3.22Å; C87-C93 WeakPolarHBondContact O-CB 3.16Å; C87-C93 PolarHBondContact O-SG 3.4Å; C87-C93 VanDerWaalsContact O-SG 3.41Å; C87-C93 PolarHBondContact SG-SG 2.55Å
88F79.6Confident77.1Confident170 Ų170110.1 Ų110.175%0.74656%0.56SS**Hα-helixtrans-73.9-35.5176-81.9-70.4000112.2L84 A85 I86L84-F88 HydrophobicContact CB-CD2 4.38Å; L84-F88 HydrophobicContact CB-CE2 4.32Å; L84-F88 WeakPolarHBondContact O-CD2 3.27Å; L84-F88 PolarHBondContact O-N 3.46Å; A85-F88 PolarHBondContact O-N 3.41Å; I86-F88 PolarHBondContact O-N 2.72Å
89Y78.7Confident75.3Confident198 Ų198114.2 Ų114.278%0.77657%0.568SS**Hα-helixtrans-80.8-25.4178-65.9-63.9000113A85 I86 K91A85-Y89 HydrophobicContact CB-CD2 4.43Å; A85-Y89 HydrophobicContact CB-CE2 4.24Å; A85-Y89 WeakPolarHBondContact O-CD2 3.47Å; A85-Y89 PolarHBondContact O-N 2.8Å; I86-Y89 PolarHBondContact O-N 3.41Å; Y89-K91 PolarHBondContact O-N 3.19Å
90C76.4Confident73.4Confident60 Ų60116.5 Ų116.541%0.40557%0.573SS.*  trans-76.3106.8167.7-82.40000110.3I86 C92 C93I86-C90 VanDerWaalsContact O-CB 3.31Å; I86-C90 WeakPolarHBondContact O-CB 3.24Å; I86-C90 PolarHBondContact O-N 3.31Å; C90-C92 PolarHBondContact O-N 3.03Å; C90-C93 PolarHBondContact O-N 2.95Å; C90-C93 VanDerWaalsContact O-N 3.09Å
91K64.4Low71.5Confident218 Ų218119.1 Ų119.195%0.94858%0.582SS**THydrogen-bonded Turntrans-52.9-13.5166-68.2-176.8177.6165.60113.6Y89Y89-K91 PolarHBondContact O-N 3.19Å
92C63.6Low69.6Low90 Ų90123.2 Ų123.261%0.60860%0.599SS**THydrogen-bonded Turntrans-88.8-0.6-178.8-52.60000115C90 A94C90-C92 PolarHBondContact O-N 3.03Å; C92-A94 PolarHBondContact O-N 3.43Å
93C64.5Low67.7Low49 Ų49131.1 Ų131.133%0.33162%0.621SS.*  trans-70.184.4-179.4-90.60000112.8C87 C90 L95 Y96C87-C93 WeakPolarHBondContact CA-SG 3.05Å; C87-C93 HydrophobicContact CB-CB 4.25Å; C87-C93 WeakPolarHBondContact CB-SG 3.21Å; C87-C93 VanDerWaalsContact O-CB 3.22Å; C87-C93 WeakPolarHBondContact O-CB 3.16Å; C87-C93 PolarHBondContact O-SG 3.4Å; C87-C93 VanDerWaalsContact O-SG 3.41Å; C87-C93 PolarHBondContact SG-SG 2.55Å; C90-C93 PolarHBondContact O-N 2.95Å; C90-C93 VanDerWaalsContact O-N 3.09Å; C93-L95 PolarHBondContact O-N 3.34Å; C93-Y96 PolarHBondContact O-N 3.49Å
94A56.4Low66Low64 Ų64132.7 Ų132.753%0.52963%0.634SS.*THydrogen-bonded Turntrans-60.7-0.1178.800000114.8C92 Y96 K97 K98C92-A94 PolarHBondContact O-N 3.43Å; A94-Y96 PolarHBondContact O-N 2.91Å; A94-K97 PolarHBondContact O-N 3.23Å; A94-K97 VanDerWaalsContact O-N 3.11Å; A94-K98 PolarHBondContact O-N 3.14Å
95L56.4Low64.4Low141 Ų141133.9 Ų133.974%0.73865%0.65SS**THydrogen-bonded Turntrans-65.3-19.6173.7-67.1178.7000112.5C93C93-L95 PolarHBondContact O-N 3.34Å
96Y54.8Low62.9Low179 Ų179140.9 Ų140.970%0.70268%0.676SS**THydrogen-bonded Turntrans-86.3-32.6168.9-160.4-98.5000113.2C93 A94 K98C93-Y96 PolarHBondContact O-N 3.49Å; A94-Y96 PolarHBondContact O-N 2.91Å; Y96-K98 VanDerWaalsContact C-N 3.31Å; Y96-K98 PolarHBondContact O-N 3.01Å
97K56.5Low61Low138 Ų138141.1 Ų141.160%0.669%0.687SS**G310 helixtrans-70.9-24.6-178.4-162.1171.7178.7-177.10112.4A94 D120A94-K97 PolarHBondContact O-N 3.23Å; A94-K97 VanDerWaalsContact O-N 3.11Å; K97-D120 IonicContact NZ-OD1 2.86Å; K97-D120 PolarHBondContact NZ-OD1 3.19Å
98K56.8Low59.4Low174 Ų174147.3 Ų147.376%0.75772%0.715SS**G310 helixtrans-82.1-12.3-178-133.5178.9-175.8-177.80115.8A94 Y96 K100A94-K98 PolarHBondContact O-N 3.14Å; Y96-K98 VanDerWaalsContact C-N 3.31Å; Y96-K98 PolarHBondContact O-N 3.01Å; K98-K100 VanDerWaalsContact C-N 3.3Å; K98-K100 PolarHBondContact O-N 3.45Å
99R57.5Low58Low198 Ų198143.4 Ų143.475%0.74772%0.715SS**G310 helixtrans-74.1-16.6175.2-71.9-165.6-140.4177.15.7114.1
100K54.4Low56.3Low165 Ų165138.7 Ų138.772%0.71771%0.709SS**G310 helixtrans-83.5-18.3179.9-66.9-166.7177.9-173.10114.3K98K98-K100 VanDerWaalsContact C-N 3.3Å; K98-K100 PolarHBondContact O-N 3.45Å
101H53.5Low54.9Low157 Ų157145.8 Ų145.873%0.72773%0.733SS**G310 helixtrans-90.7-11.1-176.8-94.2-75.2000115.5
102H55.3Low53.9Low180 Ų180138.8 Ų138.883%0.83372%0.722SS**G310 helixtrans-90.82.9-178.6-136.1-72000114.5
103R54.2Low53Low241 Ų241146.3 Ų146.391%0.90974%0.74SS**G310 helixtrans-112.710-179.9-141.9-176.9-173.31672.6114.4
104S53.8Low52.2Low104 Ų104147.1 Ų147.173%0.72776%0.756SS**  trans-133.541.4-175.6-166.50000112.3
105S53.7Low51.9Low109 Ų109150.4 Ų150.476%0.76277%0.77SS**  trans-120.652.5173.5-171.80000110
106E56.7Low51.8Low184 Ų184150.8 Ų150.886%0.8677%0.773SS**SBendtrans-154.6129.7166.6-116.4168.9102.200109.2
107S48.6Very low51.9Low105 Ų105151.2 Ų151.273%0.73477%0.773SS**  trans75.299.9178.681.10000116.5
108I52.6Low51.8Low169 Ų169151.5 Ų151.587%0.86778%0.78SS**  77.695.588.6-65.5152.1000111.8
109A48.3Very low51.6Low88 Ų88145.7 Ų145.773%0.72777%0.77SS**  151.6126.6125.800000110.1
110P43.2Very low51.6Low100 Ų100140.9 Ų140.965%0.64976%0.759SS**  trans-76.2169.7171.933.9-29.7000109.5
111F47.2Very low51.8Low208 Ų208140.7 Ų140.791%0.91276%0.755SS**  trans88.189.9-179.1-48.3-70.7000115
112G43.3Very low52.3Low71 Ų71137.7 Ų137.773%0.73275%0.747SS**  trans-175.397.7169.200000109.8G114G112-G114 PolarHBondContact O-N 3.04Å
113Y45.3Very low52.9Low248 Ų248137.8 Ų137.897%0.97374%0.741SS**  trans-50.6118.5174-74.1-101.9000110.3
114G46.8Very low53.5Low66 Ų66128.8 Ų128.868%0.6872%0.715SS**  trans-140.679.7-175.800000110.9G112 N116G112-G114 PolarHBondContact O-N 3.04Å; G114-N116 VanDerWaalsContact C-N 3.35Å; G114-N116 PolarHBondContact O-N 3.38Å
115T51Low54.3Low133 Ų133126.5 Ų126.582%0.81670%0.702SS**  trans-66.581.9175.450.60000110.8
116N55.1Low55.3Low150 Ų150123.7 Ų123.780%0.80269%0.685SS**  trans-154.517.4171.9-91.1-42.3000115.4G114G114-N116 VanDerWaalsContact C-N 3.35Å; G114-N116 PolarHBondContact O-N 3.38Å
117R56.2Low56.2Low187 Ų187117.7 Ų117.771%0.70666%0.663SS**SBendtrans-96.2-10.8178.8-73.2-167-177.9-174.43.2115.6G119 Y121R117-G119 PolarHBondContact O-N 3.49Å; R117-Y121 HydrophobicContact CB-CE2 4.39Å; R117-Y121 WeakPolarHBondContact O-CD2 2.99Å
118I54.8Low57.5Low144 Ų144121.5 Ų121.574%0.73866%0.661SS**Hα-helixtrans-70.5-34.6-174.8-66.5165.5000111.7D120 Y121 V122I118-D120 PolarHBondContact O-N 2.85Å; I118-Y121 PolarHBondContact O-N 3.17Å; I118-V122 HydrophobicContact CG2-CG2 4.3Å; I118-V122 WeakPolarHBondContact O-CG2 3.41Å; I118-V122 PolarHBondContact O-N 2.98Å
119G53Low58.8Low53 Ų53119.5 Ų119.555%0.54665%0.648SS.*Hα-helixtrans-65.6-35.8-177.800000114.9R117 W123R117-G119 PolarHBondContact O-N 3.49Å; G119-W123 PolarHBondContact O-N 3.24Å
120D56.2Low60.3Low96 Ų96121.9 Ų121.951%0.51364%0.644SS.*Hα-helixtrans-72.2-32.2-178.9-77.9-47.2000112K97 I118 S124K97-D120 IonicContact NZ-OD1 2.86Å; K97-D120 PolarHBondContact NZ-OD1 3.19Å; I118-D120 PolarHBondContact O-N 2.85Å; D120-S124 PolarHBondContact O-N 3.28Å
121Y58.2Low62.1Low161 Ų161123 Ų12363%0.63164%0.641SS**Hα-helixtrans-73-40175.9-68.4-73.8000112.1R117 I118 S124 A125R117-Y121 HydrophobicContact CB-CE2 4.39Å; R117-Y121 WeakPolarHBondContact O-CD2 2.99Å; I118-Y121 PolarHBondContact O-N 3.17Å; Y121-S124 PolarHBondContact O-N 3.08Å; Y121-S124 PolarHBondContact O-OG 3.25Å; Y121-A125 PolarHBondContact O-N 3.13Å; Y121-A125 VanDerWaalsContact O-N 3.07Å
122V65.3Low63.8Low95 Ų95119.8 Ų119.858%0.57663%0.629SS**Hα-helixtrans-65.1-43-179.2177.20000111.7I118 S124 A125 A126I118-V122 HydrophobicContact CG2-CG2 4.3Å; I118-V122 WeakPolarHBondContact O-CG2 3.41Å; I118-V122 PolarHBondContact O-N 2.98Å; V122-S124 VanDerWaalsContact C-N 3.35Å; V122-S124 PolarHBondContact O-N 3.35Å; V122-A125 PolarHBondContact O-N 3.41Å; V122-A126 PolarHBondContact O-N 2.98Å
123W67.4Low65.6Low182 Ų182122.1 Ų122.169%0.68962%0.62SS**Hα-helixtrans-65-39.1176.7-173.9-95.7000112.3G119 A125 A126 C127G119-W123 PolarHBondContact O-N 3.24Å; W123-A125 VanDerWaalsContact C-N 3.28Å; W123-A125 PolarHBondContact O-N 3Å; W123-A126 PolarHBondContact O-N 2.97Å; W123-C127 WeakPolarHBondContact O-CB 3.39Å; W123-C127 PolarHBondContact O-N 3.3Å
124S67Low67.2Low52 Ų52117 Ų11736%0.36461%0.606SS.*Hα-helixtrans-65.6-31.5177.4770000112.9D120 Y121 V122 R128D120-S124 PolarHBondContact O-N 3.28Å; Y121-S124 PolarHBondContact O-N 3.08Å; Y121-S124 PolarHBondContact O-OG 3.25Å; V122-S124 VanDerWaalsContact C-N 3.35Å; V122-S124 PolarHBondContact O-N 3.35Å; S124-R128 WeakPolarHBondContact O-CG 3.27Å; S124-R128 PolarHBondContact O-N 2.93Å
125A71.2Confident68.9Low56 Ų56119.4 Ų119.446%0.46360%0.599SS.*Hα-helixtrans-72.7-45.8174.100000111.6Y121 V122 W123 C127 R128 Q129Y121-A125 PolarHBondContact O-N 3.13Å; Y121-A125 VanDerWaalsContact O-N 3.07Å; V122-A125 PolarHBondContact O-N 3.41Å; W123-A125 VanDerWaalsContact C-N 3.28Å; W123-A125 PolarHBondContact O-N 3Å; A125-C127 VanDerWaalsContact C-N 3.32Å; A125-C127 PolarHBondContact O-N 2.74Å; A125-R128 PolarHBondContact O-N 2.93Å; A125-Q129 PolarHBondContact O-N 3.36Å
126A74.4Confident70.4Confident50 Ų50119.3 Ų119.341%0.41359%0.589SS.*Hα-helixtrans-59.8-41.217800000112.4V122 W123 Q129 Q130V122-A126 PolarHBondContact O-N 2.98Å; W123-A126 PolarHBondContact O-N 2.97Å; A126-Q129 PolarHBondContact O-N 3.13Å; A126-Q130 PolarHBondContact O-N 3.13Å
127C75.4Confident71.6Confident58 Ų58118.2 Ų118.239%0.39258%0.579SS.*Hα-helixtrans-68.1-36.6179.9-148.60000112.4W123 A125 Q131W123-C127 WeakPolarHBondContact O-CB 3.39Å; W123-C127 PolarHBondContact O-N 3.3Å; A125-C127 VanDerWaalsContact C-N 3.32Å; A125-C127 PolarHBondContact O-N 2.74Å; C127-Q131 WeakPolarHBondContact O-CB 3.49Å; C127-Q131 PolarHBondContact O-N 3.26Å; C127-Q131 VanDerWaalsContact O-N 3.12Å
128R76.4Confident72.7Confident185 Ų185115.7 Ų115.770%0.69858%0.576SS**Hα-helixtrans-67-38.2173.4-73.7-172.6-157.6-142.96.9111.9S124 A125 Q131 Q132S124-R128 WeakPolarHBondContact O-CG 3.27Å; S124-R128 PolarHBondContact O-N 2.93Å; A125-R128 PolarHBondContact O-N 2.93Å; R128-Q131 PolarHBondContact O-N 3.18Å; R128-Q132 PolarHBondContact O-N 2.02Å
129Q79.2Confident73.8Confident127 Ų127115.2 Ų115.259%0.59357%0.57SS**Hα-helixtrans-65.4-43.5179.2-162.2170.9-6.100110.9A125 A126 Q131 Q132 E133A125-Q129 PolarHBondContact O-N 3.36Å; A126-Q129 PolarHBondContact O-N 3.13Å; Q129-Q131 VanDerWaalsContact C-N 3.32Å; Q129-Q131 PolarHBondContact O-N 2.87Å; Q129-Q132 PolarHBondContact O-N 3.2Å; Q129-E133 PolarHBondContact O-N 3.29Å
130Q79Confident74.9Confident137 Ų137121.1 Ų121.164%0.6458%0.576SS**Hα-helixtrans-63.8-37.2175.3-162.31794.800112.3A126 E133 Q134A126-Q130 PolarHBondContact O-N 3.13Å; Q130-E133 PolarHBondContact O-N 3.07Å; Q130-Q134 PolarHBondContact O-N 2.83Å; Q130-Q134 VanDerWaalsContact O-N 3.16Å
131Q80.8Confident75.3Confident125 Ų125125.4 Ų125.458%0.58459%0.591SS**Hα-helixtrans-68.5-35.5176.5-165.5173.58.400112.4C127 R128 Q129 Q135C127-Q131 WeakPolarHBondContact O-CB 3.49Å; C127-Q131 PolarHBondContact O-N 3.26Å; C127-Q131 VanDerWaalsContact O-N 3.12Å; R128-Q131 PolarHBondContact O-N 3.18Å; Q129-Q131 VanDerWaalsContact C-N 3.32Å; Q129-Q131 PolarHBondContact O-N 2.87Å; Q131-Q135 PolarHBondContact O-N 2.04Å
132Q83.2Confident75.6Confident139 Ų139124.6 Ų124.665%0.6560%0.596SS**Hα-helixtrans-66.7-42.6173.6-95.4-175.2-28.200112.4R128 Q129 Q134 Q135 Q136R128-Q132 PolarHBondContact O-N 2.02Å; Q129-Q132 PolarHBondContact O-N 3.2Å; Q132-Q134 VanDerWaalsContact C-N 3.3Å; Q132-Q134 PolarHBondContact O-N 2.78Å; Q132-Q135 PolarHBondContact O-N 3.36Å; Q132-Q136 PolarHBondContact O-N 3.04Å
133E81.1Confident75.3Confident120 Ų120130.6 Ų130.656%0.56161%0.609SS**Hα-helixtrans-61.6-39176.1-80.9-17492.900112.1Q129 Q130 Q136 Q137Q129-E133 PolarHBondContact O-N 3.29Å; Q130-E133 PolarHBondContact O-N 3.07Å; E133-Q136 PolarHBondContact O-N 3.04Å; E133-Q137 PolarHBondContact O-N 3.2Å
134Q80.4Confident74.4Confident142 Ų142131.5 Ų131.566%0.66461%0.613SS**Hα-helixtrans-64.5-41.4177-126.3-17410.200112.3Q130 Q132 Q136 Q137 Q138Q130-Q134 PolarHBondContact O-N 2.83Å; Q130-Q134 VanDerWaalsContact O-N 3.16Å; Q132-Q134 VanDerWaalsContact C-N 3.3Å; Q132-Q134 PolarHBondContact O-N 2.78Å; Q134-Q136 VanDerWaalsContact C-N 3.33Å; Q134-Q136 PolarHBondContact O-N 2.91Å; Q134-Q137 PolarHBondContact O-N 3.04Å; Q134-Q138 PolarHBondContact O-N 3.46Å; Q134-Q138 VanDerWaalsContact O-N 3.09Å
135Q82Confident73.8Confident116 Ų116133.8 Ų133.854%0.54263%0.627SS.*Hα-helixtrans-64.7-37.9174.4-80.6-171.3-5.100112.2Q131 Q132 Q138 Q139Q131-Q135 PolarHBondContact O-N 2.04Å; Q132-Q135 PolarHBondContact O-N 3.36Å; Q135-Q138 PolarHBondContact O-N 3.33Å; Q135-Q139 PolarHBondContact O-N 2.85Å
136Q82.6Confident72.7Confident131 Ų131137.3 Ų137.361%0.61265%0.648SS**Hα-helixtrans-66.8-38.7178.3-126.4-177.428.600112Q132 E133 Q134 Q139 R140Q132-Q136 PolarHBondContact O-N 3.04Å; E133-Q136 PolarHBondContact O-N 3.04Å; Q134-Q136 VanDerWaalsContact C-N 3.33Å; Q134-Q136 PolarHBondContact O-N 2.91Å; Q136-Q139 PolarHBondContact O-N 2.03Å; Q136-R140 PolarHBondContact O-N 3.48Å
137Q79Confident71.6Confident126 Ų126139.7 Ų139.759%0.58966%0.662SS**Hα-helixtrans-63.3-41.4172.9-77.3-172.6-7.900111.9E133 Q134 R140 F141E133-Q137 PolarHBondContact O-N 3.2Å; Q134-Q137 PolarHBondContact O-N 3.04Å; Q137-R140 WeakPolarHBondContact O-CB 3.48Å; Q137-R140 PolarHBondContact O-N 3.2Å; Q137-R140 VanDerWaalsContact O-N 3.16Å; Q137-F141 PolarHBondContact O-N 3.27Å
138Q79.2Confident70.4Confident135 Ų135142.3 Ų142.363%0.63168%0.681SS**Hα-helixtrans-66.5-39.3179.6-156.2172.83900112.1Q134 Q135 R140 F141 L142Q134-Q138 PolarHBondContact O-N 3.46Å; Q134-Q138 VanDerWaalsContact O-N 3.09Å; Q135-Q138 PolarHBondContact O-N 3.33Å; Q138-R140 VanDerWaalsContact C-N 3.32Å; Q138-R140 PolarHBondContact O-N 2.93Å; Q138-F141 PolarHBondContact O-N 2.92Å; Q138-L142 WeakPolarHBondContact O-CG 3.23Å; Q138-L142 PolarHBondContact O-N 3.08Å
139Q79.2Confident69Low134 Ų134142.6 Ų142.663%0.62669%0.69SS**Hα-helixtrans-65-36.1172.1-72.7-174.33.100112.3Q135 Q136 F141 L142 R143Q135-Q139 PolarHBondContact O-N 2.85Å; Q136-Q139 PolarHBondContact O-N 2.03Å; Q139-F141 VanDerWaalsContact C-N 3.29Å; Q139-F141 PolarHBondContact O-N 2.83Å; Q139-L142 PolarHBondContact O-N 3.12Å; Q139-R143 WeakPolarHBondContact O-CB 3.49Å; Q139-R143 PolarHBondContact O-N 2.78Å; Q139-R143 VanDerWaalsContact O-N 3.12Å
140R75Confident67.6Low177 Ų177145.5 Ų145.567%0.66870%0.704SS**Hα-helixtrans-64.7-36.6175.9-140.4-164.1-67-179.3-1.2111.5Q136 Q137 Q138 R143Q136-R140 PolarHBondContact O-N 3.48Å; Q137-R140 WeakPolarHBondContact O-CB 3.48Å; Q137-R140 PolarHBondContact O-N 3.2Å; Q137-R140 VanDerWaalsContact O-N 3.16Å; Q138-R140 VanDerWaalsContact C-N 3.32Å; Q138-R140 PolarHBondContact O-N 2.93Å; R140-R143 PolarHBondContact O-N 2.84Å
141F66Low66.5Low186 Ų186148.5 Ų148.582%0.81672%0.718SS**Hα-helixtrans-69.9-38.7176.4-133-90.1000112.5Q137 Q138 Q139 R143Q137-F141 PolarHBondContact O-N 3.27Å; Q138-F141 PolarHBondContact O-N 2.92Å; Q139-F141 VanDerWaalsContact C-N 3.29Å; Q139-F141 PolarHBondContact O-N 2.83Å; F141-R143 VanDerWaalsContact C-N 3.27Å; F141-R143 PolarHBondContact O-N 2.84Å
142L63.9Low65.1Low144 Ų144152.3 Ų152.375%0.75474%0.735SS**Hα-helixtrans-74.3-15.2177.7-69.3170.1000113.7Q138 Q139Q138-L142 WeakPolarHBondContact O-CG 3.23Å; Q138-L142 PolarHBondContact O-N 3.08Å; Q139-L142 PolarHBondContact O-N 3.12Å
143R59.5Low63.1Low221 Ų221149 Ų14983%0.83474%0.738SS**THydrogen-bonded Turntrans-88.6-0.6-179.2-141.4179.7-150166.66.4114.4Q139 R140 F141 P145Q139-R143 WeakPolarHBondContact O-CB 3.49Å; Q139-R143 PolarHBondContact O-N 2.78Å; Q139-R143 VanDerWaalsContact O-N 3.12Å; R140-R143 PolarHBondContact O-N 2.84Å; F141-R143 VanDerWaalsContact C-N 3.27Å; F141-R143 PolarHBondContact O-N 2.84Å; R143-P145 WeakPolarHBondContact O-CD 3.19Å
144Y48.2Very low61.6Low200 Ų200150.7 Ų150.778%0.78475%0.75SS**SBendtrans-9498.6165.1-93.9-89.7000108.9S146Y144-S146 PolarHBondContact O-N 3.19Å
145P54.2Low60.1Low101 Ų101152 Ų15266%0.65676%0.756SS**  trans-63.7133.5166.927.6-31.5000108.3R143 S147R143-P145 WeakPolarHBondContact O-CD 3.19Å; P145-S147 PolarHBondContact O-N 3.43Å
146S48.8Very low58.3Low129 Ų129157.9 Ų157.990%0.90277%0.773SS**  trans-51.894.7172.6-164.90000110.5Y144Y144-S146 PolarHBondContact O-N 3.19Å
147S49.9Very low56.5Low101 Ų101157.6 Ų157.671%0.70678%0.781SS**  trans-122.764.3174.865.50000109.3P145P145-S147 PolarHBondContact O-N 3.43Å
148S50.6Low55Low112 Ų112160 Ų16078%0.78379%0.792SS**  trans-160.262.7173.1-61.30000109.8
149Q46.4Very low53.3Low191 Ų191160.3 Ų160.389%0.89380%0.803SS**  trans-160.254.8161.6-118.8-1761100111.4
150E50.8Low51.6Low189 Ų189162 Ų16288%0.88381%0.811SS**  trans-127.1147.3153.7-94.6177.885.100105.6
151E55.6Low50.7Low200 Ų200158.9 Ų158.994%0.93581%0.814SS**  trans9350.1-172.5-54.9-170.589.400117
152E51.1Low50.4Low205 Ų205155 Ų15596%0.95881%0.807SS**  trans-106.186.2146.9-110.8-172.2102.400108.5
153G41.2Very low50.1Low68 Ų68153.7 Ų153.770%0.70181%0.807SS**  trans-177.7113.8177.700000111.9
154L49.5Very low50.5Low157 Ų157148.6 Ų148.682%0.82280%0.803SS**  trans90.6125.7164.7-123.473.6000118.1
155Q48.7Very low50.7Low168 Ų168144.4 Ų144.479%0.78580%0.801SS**  trans76.996.5162.6-57.5172.619.500115.1
156R44Very low49.9Very low240 Ų240150.6 Ų150.691%0.90681%0.813SS**  37.283.250.5-148-177-1591656112.4
157T46.6Very low49.4Very low125 Ų125149.8 Ų149.877%0.76781%0.807SS**  178.6130.6115.8-63.20000110.9
158Q45.8Very low49.1Very low177 Ų177149.8 Ų149.883%0.82781%0.813SS**  trans-20.9136.8169-67.9161.5-6.900117.9
159T44.5Very low48.5Very low141 Ų141150.5 Ų150.587%0.86581%0.812SS**  -176.1122116.7-61.80000109.1
160E43.3Very low48.2Very low170 Ų170147.4 Ų147.479%0.79481%0.81SS**  trans-83.6149.3-178.2-171.3-174.2112.900112.7
161P56.4Low47.5Very low111 Ų111146.9 Ų146.972%0.72181%0.808SS**  trans-138.8171.4132.333.6-14.7000113.8
162P59.3Low46.6Very low104 Ų104141.4 Ų141.468%0.67579%0.792SS**  trans-91.8175-13638.5-39.1000116
163P57.5Low46.3Very low117 Ų117140.6 Ų140.676%0.7679%0.785SS**PPolyproline II helixtrans-76.9147.4-170.931.4-35.8000113.3
164P67.7Low46.3Very low115 Ų115145.4 Ų145.475%0.74779%0.794SS**PPolyproline II helixtrans-76156.8174.130.4-32.7000112.6
165P52.9Low46Very low112 Ų112143.5 Ų143.573%0.72779%0.794SS**PPolyproline II helixtrans-85.6151.7-164.434.5-34.4000113.5S167P165-S167 PolarHBondContact O-N 3.47Å
166Y37Very low45.7Very low231 Ų231140.4 Ų140.491%0.90679%0.791SS**  trans-63.9114.4164.1-53.8-95.4000109.8
167S38.3Very low45.5Very low112 Ų112134.6 Ų134.678%0.78378%0.782SS**  trans174.3116.2150.443.50000111.9P165P165-S167 PolarHBondContact O-N 3.47Å
168A44.1Very low45.4Very low100 Ų100133.9 Ų133.983%0.82678%0.781SS**  trans-165.896.6138.700000109.3
169V38.6Very low45.6Very low127 Ų127136.1 Ų136.177%0.7778%0.783SS**  trans-49.7131.5157.7167.70000109.7Q171V169-Q171 HydrophobicContact CG1-CB 4.46Å
170C38.4Very low45.4Very low127 Ų127132.5 Ų132.586%0.85877%0.774SS**  trans-131.373.3151.2-910000108.6
171Q36.7Very low45.4Very low178 Ų178132.3 Ų132.383%0.83278%0.776SS**  trans-94.3111.9145.1-81.4-172.57.700107V169V169-Q171 HydrophobicContact CG1-CB 4.46Å
172S37.9Very low45.2Very low85 Ų85138.6 Ų138.659%0.59479%0.786SS**  trans165.6123.816345.10000104.5
173F44Very low45.1Very low188 Ų188138.3 Ų138.383%0.82578%0.784SS**  cis-156.2131.847.8-89.5-94.7000110.6
174L41.2Very low45.6Very low169 Ų169139.1 Ų139.189%0.88579%0.79SS**  trans-56.9124.3149.3-73.5151000109.2
175S42.7Very low44.8Very low117 Ų117137.6 Ų137.682%0.81879%0.786SS**  trans166.3136.3160.7-84.50000107.1
176S42.3Very low44.9Very low103 Ų103139 Ų13972%0.7279%0.788SS**  cis-165.4127.214.8-173.40000108.2
177T41.2Very low45.7Very low118 Ų118135.3 Ų135.372%0.72478%0.784SS**  trans26.6124.3136.7-30.80000120.6
178C43Very low46.7Very low109 Ų109139 Ų13974%0.73679%0.788SS**  -170.1113125.9-98.40000113.1
179Y50.1Low47.8Very low225 Ų225139.5 Ų139.588%0.88278%0.783SS**  trans49.4134.3143.6-63.1-91000120.7
180G40.5Very low49.2Very low65 Ų65138.7 Ų138.767%0.6778%0.78SS**  cis175.7130.76.900000111.6
181I44.1Very low50.3Low165 Ų165138.9 Ų138.985%0.84678%0.78SS**  trans32.4118.9138.9-49-179000119.9
182R52.4Low51.9Low243 Ų243135 Ų13592%0.91778%0.778SS**  -163.4115124.8-149.1174.6-171.7179.82112.4
183P57.1Low53.1Low98 Ų98138.9 Ų138.964%0.63679%0.792SS**  trans-91153.1161.833.6-27.6000110.6
184P66.6Low54.2Low135 Ų135140.3 Ų140.388%0.87782%0.816SS**  trans-80125.5172.631.1-29.3000110.4
185A52Low54.8Low82 Ų82138.9 Ų138.968%0.67881%0.813SS**  trans-104.2158.9162.500000108.9
186N55.3Low55.5Low142 Ų142140.1 Ų140.176%0.75981%0.813SS**  trans92.1121.3176-52.7-7.2000111.9
187D53.9Low56.2Low153 Ų153142.1 Ų142.182%0.81882%0.818SS**  cis-156.614526.1-75.5-59.7000111.8
188H59Low57.1Low191 Ų191143.5 Ų143.588%0.88482%0.823SS**  trans-109.8170.8158.8-120.54.3000106.7
189P65.8Low58Low110 Ų110145.7 Ų145.771%0.71483%0.829SS**  cis-136.8-150.16.440.9-17.5000110.2
190P68.6Low58.5Low110 Ų110140.4 Ų140.471%0.71483%0.825SS**  cis-130.2174.8-840.5-22.7000114.8
191P62.9Low59.8Low130 Ų130145.8 Ų145.884%0.84484%0.836SS**  trans-85.9138.8162.534.4-27.4000110.1
192A68.5Low61Low97 Ų97144.3 Ų144.380%0.80284%0.835SS**  trans-113.3134168.200000108.9
193D64.1Low61.7Low166 Ų166136.1 Ų136.189%0.88883%0.828SS**  trans-52.2137176.4-67.4-63.4000113.9
194V66.4Low62.1Low219 Ų219139.5 Ų139.5100%1.32785%0.846SS**  trans-147.20141.2-175.90000108.2

Retrieved 194 of 194 residues in 129.6 ms (Link to these results)