A0A077Z3B1_TRITR Loading...

Transcription initiation factor TFIID subunit

AlphaFold DB , UniProt , Accession A0A077Z3B1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 162 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
1M39.6Very low76.4Confident240 Ų240117.1 Ų117.1100%1.18264%0.643SS**  0122.10-84.816984.300107.3
2A52.3Low77.8Confident92 Ų92111.3 Ų111.376%0.7662%0.622SS**PPolyproline II helixtrans-62.6139167.600000108.1
3P60.3Low79.1Confident107 Ų107105.5 Ų105.570%0.69559%0.587SS**PPolyproline II helixtrans-58.9144.4175.825.8-32.7000109.1I5P3-I5 PolarHBondContact O-N 3.3Å
4P67.2Low80.1Confident101 Ų10199.1 Ų99.166%0.65655%0.553SS**PPolyproline II helixtrans-55.6129.2174.425.1-32.7000108.3M6P4-M6 HydrophobicContact CG-CE 4.33Å; P4-M6 PolarHBondContact O-N 3.22Å
5I78.1Confident80.9Confident173 Ų17399.8 Ų99.889%0.88755%0.55SS*.  trans-65.3100.5-179.9-58.5163.1000106.8P3P3-I5 PolarHBondContact O-N 3.3Å
6M80Confident81.8Confident102 Ų10299.3 Ų99.350%0.50255%0.545SS..  trans-80.7141.8173.1-65.2-175.2-176.800108.7P4P4-M6 HydrophobicContact CG-CE 4.33Å; P4-M6 PolarHBondContact O-N 3.22Å
7P90.8Very high82.5Confident87 Ų8794.6 Ų94.657%0.56552%0.52SS*.  trans-63149.6173.225.4-30.5000110D9 A10 E11P7-D9 PolarHBondContact O-N 3.49Å; P7-D9 VanDerWaalsContact O-N 3.16Å; P7-A10 HydrophobicContact CG-CB 3.66Å; P7-A10 WeakPolarHBondContact O-CB 3.41Å; P7-A10 PolarHBondContact O-N 2.93Å; P7-E11 PolarHBondContact O-N 3Å
8K92.1Very high83.1Confident177 Ų17797.7 Ų97.777%0.7753%0.527SS*.Hα-helixtrans-54.7-37.7-175-67.4-177.5178.6-1800112.9E11 A12K8-E11 WeakPolarHBondContact O-CB 3.44Å; K8-E11 PolarHBondContact O-N 3.32Å; K8-A12 PolarHBondContact O-N 3.3Å
9D94.1Very high83.7Confident72 Ų72100.6 Ų100.639%0.38553%0.534SS..Hα-helixtrans-69.7-36.2179-52.8-57000112P7 E11 A12 M13 V34 Y38P7-D9 PolarHBondContact O-N 3.49Å; P7-D9 VanDerWaalsContact O-N 3.16Å; D9-E11 VanDerWaalsContact C-N 3.35Å; D9-A12 PolarHBondContact O-N 3.49Å; D9-M13 VanDerWaalsContact O-CG 3.31Å; D9-M13 WeakPolarHBondContact O-CG 3.43Å; D9-M13 PolarHBondContact O-N 3.33Å; D9-V34 HydrophobicContact CB-CG1 4.48Å; D9-V34 HydrophobicContact CB-CG2 4.42Å; D9-Y38 VanDerWaalsContact CG-OH 3.32Å; D9-Y38 PolarHBondContact OD2-OH 3.28Å
10A93Very high84.3Confident7 Ų7100.9 Ų100.96%0.05854%0.54CS..Hα-helixtrans-65.6-40172.900000111.3P7 A12 M13 V14 I30P7-A10 HydrophobicContact CG-CB 3.66Å; P7-A10 WeakPolarHBondContact O-CB 3.41Å; P7-A10 PolarHBondContact O-N 2.93Å; A10-A12 VanDerWaalsContact C-N 3.34Å; A10-M13 PolarHBondContact O-N 3.28Å; A10-V14 WeakPolarHBondContact O-CG2 3.39Å; A10-V14 PolarHBondContact O-N 3.06Å; A10-I30 HydrophobicContact CB-CG2 3.67Å
11E93.1Very high84.7Confident130 Ų13098.7 Ų98.761%0.60754%0.541SS*.Hα-helixtrans-60.7-43.9174.4-173.1175.2-167.300111.4P7 K8 D9 M13 V14 E15P7-E11 PolarHBondContact O-N 3Å; K8-E11 WeakPolarHBondContact O-CB 3.44Å; K8-E11 PolarHBondContact O-N 3.32Å; D9-E11 VanDerWaalsContact C-N 3.35Å; E11-M13 PolarHBondContact O-N 3.42Å; E11-V14 PolarHBondContact O-N 3.16Å; E11-E15 PolarHBondContact O-N 3.39Å
12A93.6Very high87.3Confident48 Ų4890 Ų9040%0.39750%0.501SS..Hα-helixtrans-61.9-40.1175.100000112.6K8 D9 A10 E15 L16K8-A12 PolarHBondContact O-N 3.3Å; D9-A12 PolarHBondContact O-N 3.49Å; A10-A12 VanDerWaalsContact C-N 3.34Å; A12-E15 PolarHBondContact O-N 3.09Å; A12-L16 WeakPolarHBondContact O-CB 3.49Å; A12-L16 PolarHBondContact O-N 3.21Å
13M94.5Very high88.9Confident35 Ų3591.3 Ų91.317%0.17250%0.5CS..Hα-helixtrans-67-37.6175.8-66.7-56.3148.800112.3D9 A10 E11 L16 L17 I30 L33 V34 A37D9-M13 VanDerWaalsContact O-CG 3.31Å; D9-M13 WeakPolarHBondContact O-CG 3.43Å; D9-M13 PolarHBondContact O-N 3.33Å; A10-M13 PolarHBondContact O-N 3.28Å; E11-M13 PolarHBondContact O-N 3.42Å; M13-L16 WeakPolarHBondContact O-CB 3.32Å; M13-L16 PolarHBondContact O-N 3.13Å; M13-L16 HydrophobicContact SD-CD2 4.23Å; M13-L17 WeakPolarHBondContact O-CG 3.2Å; M13-L17 PolarHBondContact O-N 2.98Å; M13-I30 HydrophobicContact CB-CG2 4.4Å; M13-L33 HydrophobicContact CG-CB 4.2Å; M13-L33 HydrophobicContact SD-CB 4.12Å; M13-V34 HydrophobicContact CG-CG2 3.76Å; M13-A37 HydrophobicContact CE-CB 4.1Å
14V92.5Very high90.4Very high17 Ų1793.5 Ų93.510%0.10351%0.505CS..Hα-helixtrans-64.3-42173.4170.90000111A10 E11 L16 L17 K18 Y25 I30A10-V14 WeakPolarHBondContact O-CG2 3.39Å; A10-V14 PolarHBondContact O-N 3.06Å; E11-V14 PolarHBondContact O-N 3.16Å; V14-L16 VanDerWaalsContact C-N 3.31Å; V14-L16 PolarHBondContact O-N 3.01Å; V14-L17 PolarHBondContact O-N 3.05Å; V14-K18 HydrophobicContact CG1-CD 4.4Å; V14-K18 WeakPolarHBondContact O-CG 3.4Å; V14-K18 PolarHBondContact O-N 2.71Å; V14-Y25 WeakPolarHBondContact CG2-OH 3.07Å; V14-I30 HydrophobicContact CG2-CD1 3.52Å; V14-I30 HydrophobicContact CG2-CG1 4.21Å
15E92.8Very high91.6Very high109 Ų10992.5 Ų92.551%0.50949%0.489SS..Hα-helixtrans-64.8-37.2176.2-156.2-172.7-172.700111.8E11 A12 K18 K19E11-E15 PolarHBondContact O-N 3.39Å; A12-E15 PolarHBondContact O-N 3.09Å; E15-K18 PolarHBondContact O-N 2.97Å; E15-K19 WeakPolarHBondContact O-CG 3.49Å; E15-K19 PolarHBondContact O-N 3.25Å
16L94.8Very high92.4Very high91 Ų9189.5 Ų89.548%0.47647%0.471SS..Hα-helixtrans-62.6-47.8172.7-17964.7000111.7A12 M13 V14 K18 K19 V20A12-L16 WeakPolarHBondContact O-CB 3.49Å; A12-L16 PolarHBondContact O-N 3.21Å; M13-L16 WeakPolarHBondContact O-CB 3.32Å; M13-L16 PolarHBondContact O-N 3.13Å; M13-L16 HydrophobicContact SD-CD2 4.23Å; V14-L16 VanDerWaalsContact C-N 3.31Å; V14-L16 PolarHBondContact O-N 3.01Å; L16-K18 VanDerWaalsContact C-N 3.3Å; L16-K18 PolarHBondContact O-N 2.9Å; L16-K19 WeakPolarHBondContact O-CB 3.48Å; L16-K19 PolarHBondContact O-N 3.48Å; L16-V20 WeakPolarHBondContact O-CG2 3.45Å; L16-V20 PolarHBondContact O-N 3Å
17L94.2Very high92.7Very high21 Ų2189.4 Ų89.411%0.1148%0.478CS..Hα-helixtrans-59.6-40.9177.8-72.2171.9000111.8M13 V14 K19 V20 G21 V22 Y25 L33M13-L17 WeakPolarHBondContact O-CG 3.2Å; M13-L17 PolarHBondContact O-N 2.98Å; V14-L17 PolarHBondContact O-N 3.05Å; L17-K19 VanDerWaalsContact C-N 3.34Å; L17-K19 PolarHBondContact O-N 3.44Å; L17-V20 PolarHBondContact O-N 3.34Å; L17-G21 PolarHBondContact O-N 3.03Å; L17-G21 VanDerWaalsContact O-N 3.16Å; L17-V22 HydrophobicContact CD2-CB 4.3Å; L17-V22 PolarHBondContact O-N 3.49Å; L17-Y25 HydrophobicContact CB-CD1 4.47Å; L17-Y25 HydrophobicContact CB-CE1 4.37Å; L17-Y25 HydrophobicContact CD1-CD1 3.76Å; L17-Y25 HydrophobicContact CD1-CD2 4.24Å; L17-Y25 HydrophobicContact CD1-CE1 3.91Å; L17-Y25 HydrophobicContact CD1-CE2 4.42Å; L17-Y25 HydrophobicContact CD1-CG 3.93Å; L17-L33 HydrophobicContact CD1-CD1 4.11Å; L17-L33 HydrophobicContact CD2-CD1 4.05Å; L17-L33 HydrophobicContact CG-CD1 4.19Å
18K92.9Very high92.8Very high150 Ų15093.9 Ų93.965%0.65248%0.484SS*.Hα-helixtrans-60.8-40.2173.2-72.9174.4-177.7174.90112.5V14 E15 L16 V20 G21V14-K18 HydrophobicContact CG1-CD 4.4Å; V14-K18 WeakPolarHBondContact O-CG 3.4Å; V14-K18 PolarHBondContact O-N 2.71Å; E15-K18 PolarHBondContact O-N 2.97Å; L16-K18 VanDerWaalsContact C-N 3.3Å; L16-K18 PolarHBondContact O-N 2.9Å; K18-V20 VanDerWaalsContact C-N 3.35Å; K18-G21 PolarHBondContact O-N 3.34Å
19K95.2Very high93Very high153 Ų15388 Ų8867%0.66546%0.462SS*.Hα-helixtrans-66.6-34.2177.1-73.2171.3-175.1168.70112.7E15 L16 L17 G21E15-K19 WeakPolarHBondContact O-CG 3.49Å; E15-K19 PolarHBondContact O-N 3.25Å; L16-K19 WeakPolarHBondContact O-CB 3.48Å; L16-K19 PolarHBondContact O-N 3.48Å; L17-K19 VanDerWaalsContact C-N 3.34Å; L17-K19 PolarHBondContact O-N 3.44Å; K19-G21 PolarHBondContact O-N 2.9Å
20V94.9Very high92.9Very high106 Ų10685.3 Ų85.364%0.64245%0.448SS*.Hα-helixtrans-77-13176.6-179.70000111.9L16 L17 K18 V22L16-V20 WeakPolarHBondContact O-CG2 3.45Å; L16-V20 PolarHBondContact O-N 3Å; L17-V20 PolarHBondContact O-N 3.34Å; K18-V20 VanDerWaalsContact C-N 3.35Å; V20-V22 HydrophobicContact CG1-CG2 4.19Å
21G94Very high92.9Very high55 Ų5590.4 Ų90.457%0.56747%0.474SS*.THydrogen-bonded Turntrans87.214.1-179.400000113.9L17 K18 K19 V23L17-G21 PolarHBondContact O-N 3.03Å; L17-G21 VanDerWaalsContact O-N 3.16Å; K18-G21 PolarHBondContact O-N 3.34Å; K19-G21 PolarHBondContact O-N 2.9Å; G21-V23 PolarHBondContact O-N 2.98Å
22V93.3Very high93Very high57 Ų5790 Ų9035%0.34547%0.471SS..  trans-85.9106.5174.4-177.40000108.4L17 V20 Y25L17-V22 HydrophobicContact CD2-CB 4.3Å; L17-V22 PolarHBondContact O-N 3.49Å; V20-V22 HydrophobicContact CG1-CG2 4.19Å; V22-Y25 HydrophobicContact CG1-CD1 4.41Å
23V86.7Confident93.1Very high120 Ų12089.7 Ų89.773%0.72746%0.462SS*.  trans-91.9-35.6-178.7-175.20000111.6G21G21-V23 PolarHBondContact O-N 2.98Å
24D91.4Very high93.2Very high152 Ų15289.3 Ų89.381%0.81346%0.462SS*.  trans-109.8117.7-177.6-62.2-37.9000110.7
25Y92.8Very high93.3Very high81 Ų8194.7 Ų94.732%0.31849%0.486SS..  trans-146.5152.3176.755.2-96.9000110.9V14 L17 V22 I30V14-Y25 WeakPolarHBondContact CG2-OH 3.07Å; L17-Y25 HydrophobicContact CB-CD1 4.47Å; L17-Y25 HydrophobicContact CB-CE1 4.37Å; L17-Y25 HydrophobicContact CD1-CD1 3.76Å; L17-Y25 HydrophobicContact CD1-CD2 4.24Å; L17-Y25 HydrophobicContact CD1-CE1 3.91Å; L17-Y25 HydrophobicContact CD1-CE2 4.42Å; L17-Y25 HydrophobicContact CD1-CG 3.93Å; V22-Y25 HydrophobicContact CG1-CD1 4.41Å; Y25-I30 HydrophobicContact CD2-CD1 4.36Å; Y25-I30 HydrophobicContact CD2-CG1 4.22Å; Y25-I30 HydrophobicContact CE2-CD1 3.55Å; Y25-I30 HydrophobicContact CE2-CG1 3.84Å
26E93.1Very high93.5Very high110 Ų11092.3 Ų92.351%0.51448%0.476SS..  trans-74.7140.7173.2-171.6-176.8173.700110.1R28 V29E26-R28 HydrophobicContact CG-CB 4.32Å; E26-R28 HydrophobicContact CG-CG 4.39Å; E26-R28 PolarHBondContact O-N 3.04Å; E26-R28 WeakPolarHBondContact OE1-CD 2.97Å; E26-V29 HydrophobicContact CB-CG2 4.23Å; E26-V29 VanDerWaalsContact O-CB 3.28Å; E26-V29 WeakPolarHBondContact O-CB 3.42Å; E26-V29 WeakPolarHBondContact O-CG2 3.42Å; E26-V29 PolarHBondContact O-N 2.92Å
27P88.2Confident93.6Very high99 Ų9989.8 Ų89.864%0.64347%0.468SS*.Hα-helixtrans-54.1-29178.8-28.235000114.6V29 I30P27-V29 PolarHBondContact O-N 2.97Å; P27-I30 PolarHBondContact O-N 3.45Å
28R92.9Very high93.7Very high181 Ų18195.1 Ų95.168%0.68349%0.488SS*.Hα-helixtrans-62.9-28.1176.3-64.6178.673.1-169.30.6113E26 I30 N31 F32E26-R28 HydrophobicContact CG-CB 4.32Å; E26-R28 HydrophobicContact CG-CG 4.39Å; E26-R28 PolarHBondContact O-N 3.04Å; E26-R28 WeakPolarHBondContact OE1-CD 2.97Å; R28-I30 VanDerWaalsContact C-N 3.29Å; R28-I30 PolarHBondContact O-N 3.08Å; R28-N31 PolarHBondContact O-N 2.94Å; R28-F32 PolarHBondContact O-N 3.37Å
29V94.4Very high93.9Very high53 Ų5394.5 Ų94.532%0.32148%0.482SS..Hα-helixtrans-63.3-37.6178.8178.80000110.8E26 P27 F32 L33E26-V29 HydrophobicContact CB-CG2 4.23Å; E26-V29 VanDerWaalsContact O-CB 3.28Å; E26-V29 WeakPolarHBondContact O-CB 3.42Å; E26-V29 WeakPolarHBondContact O-CG2 3.42Å; E26-V29 PolarHBondContact O-N 2.92Å; P27-V29 PolarHBondContact O-N 2.97Å; V29-F32 PolarHBondContact O-N 3.45Å; V29-L33 HydrophobicContact CG1-CD1 4.01Å; V29-L33 HydrophobicContact CG1-CG 4.21Å; V29-L33 WeakPolarHBondContact O-CB 3.14Å; V29-L33 VanDerWaalsContact O-CG 3.29Å; V29-L33 WeakPolarHBondContact O-CG 3.4Å; V29-L33 PolarHBondContact O-N 3.21Å
30I93.6Very high93.8Very high17 Ų1789.8 Ų89.89%0.08747%0.468CS..Hα-helixtrans-61.9-49.2177.2-60.9172.4000110A10 M13 V14 Y25 P27 R28 F32 L33 V34A10-I30 HydrophobicContact CB-CG2 3.67Å; M13-I30 HydrophobicContact CB-CG2 4.4Å; V14-I30 HydrophobicContact CG2-CD1 3.52Å; V14-I30 HydrophobicContact CG2-CG1 4.21Å; Y25-I30 HydrophobicContact CD2-CD1 4.36Å; Y25-I30 HydrophobicContact CD2-CG1 4.22Å; Y25-I30 HydrophobicContact CE2-CD1 3.55Å; Y25-I30 HydrophobicContact CE2-CG1 3.84Å; P27-I30 PolarHBondContact O-N 3.45Å; R28-I30 VanDerWaalsContact C-N 3.29Å; R28-I30 PolarHBondContact O-N 3.08Å; I30-F32 VanDerWaalsContact C-N 3.29Å; I30-F32 PolarHBondContact O-N 3.41Å; I30-L33 PolarHBondContact O-N 3.46Å; I30-V34 HydrophobicContact CG2-CG2 4.47Å; I30-V34 WeakPolarHBondContact O-CG2 3.35Å; I30-V34 PolarHBondContact O-N 2.99Å
31N93.2Very high93.8Very high114 Ų11487.9 Ų87.961%0.6146%0.459SS*.Hα-helixtrans-60-42.9179.1-68.6-12.4000111.2R28 V34 E35R28-N31 PolarHBondContact O-N 2.94Å; N31-V34 PolarHBondContact O-N 2.96Å; N31-E35 WeakPolarHBondContact O-CB 3.31Å; N31-E35 PolarHBondContact O-N 2.98Å
32F95.3Very high93.9Very high121 Ų12191.2 Ų91.253%0.53146%0.458SS..Hα-helixtrans-61.9-43.6175.9173.4-101.3000112.6R28 V29 I30 E35 L36R28-F32 PolarHBondContact O-N 3.37Å; V29-F32 PolarHBondContact O-N 3.45Å; I30-F32 VanDerWaalsContact C-N 3.29Å; I30-F32 PolarHBondContact O-N 3.41Å; F32-E35 PolarHBondContact O-N 3.31Å; F32-L36 HydrophobicContact CE1-CD2 4.09Å; F32-L36 HydrophobicContact CZ-CD2 4.34Å; F32-L36 WeakPolarHBondContact O-CB 3.47Å; F32-L36 PolarHBondContact O-N 3.1Å
33L95.3Very high94Very high41 Ų4191 Ų9122%0.21546%0.458CS..Hα-helixtrans-64.9-40.3178.7-74.3174.1000111.9M13 L17 V29 I30 L36 A37M13-L33 HydrophobicContact CG-CB 4.2Å; M13-L33 HydrophobicContact SD-CB 4.12Å; L17-L33 HydrophobicContact CD1-CD1 4.11Å; L17-L33 HydrophobicContact CD2-CD1 4.05Å; L17-L33 HydrophobicContact CG-CD1 4.19Å; V29-L33 HydrophobicContact CG1-CD1 4.01Å; V29-L33 HydrophobicContact CG1-CG 4.21Å; V29-L33 WeakPolarHBondContact O-CB 3.14Å; V29-L33 VanDerWaalsContact O-CG 3.29Å; V29-L33 WeakPolarHBondContact O-CG 3.4Å; V29-L33 PolarHBondContact O-N 3.21Å; I30-L33 PolarHBondContact O-N 3.46Å; L33-L36 PolarHBondContact O-N 2.98Å; L33-A37 WeakPolarHBondContact O-CB 3.29Å; L33-A37 PolarHBondContact O-N 3.45Å
34V95.4Very high94.4Very high28 Ų2886.8 Ų86.817%0.1743%0.431CS..Hα-helixtrans-63.3-48.4174.9173.80000110.4D9 M13 I30 N31 L36 A37 Y38D9-V34 HydrophobicContact CB-CG1 4.48Å; D9-V34 HydrophobicContact CB-CG2 4.42Å; M13-V34 HydrophobicContact CG-CG2 3.76Å; I30-V34 HydrophobicContact CG2-CG2 4.47Å; I30-V34 WeakPolarHBondContact O-CG2 3.35Å; I30-V34 PolarHBondContact O-N 2.99Å; N31-V34 PolarHBondContact O-N 2.96Å; V34-L36 PolarHBondContact O-N 3.34Å; V34-A37 PolarHBondContact O-N 3.38Å; V34-Y38 HydrophobicContact CG1-CD2 3.71Å; V34-Y38 HydrophobicContact CG1-CE2 3.43Å; V34-Y38 VanDerWaalsContact CG1-CE2 3.43Å; V34-Y38 WeakPolarHBondContact O-CD2 3.46Å; V34-Y38 PolarHBondContact O-N 3.29Å
35E95.9Very high94.6Very high130 Ų13084.2 Ų84.261%0.60742%0.416SS*.Hα-helixtrans-59.9-44.7176.5-174.4-176.2163.200111.9N31 F32 A37 Y38 R39N31-E35 WeakPolarHBondContact O-CB 3.31Å; N31-E35 PolarHBondContact O-N 2.98Å; F32-E35 PolarHBondContact O-N 3.31Å; E35-A37 VanDerWaalsContact C-N 3.34Å; E35-A37 PolarHBondContact O-N 3.34Å; E35-Y38 PolarHBondContact O-N 3.2Å; E35-R39 VanDerWaalsContact O-CB 3.27Å; E35-R39 WeakPolarHBondContact O-CB 3.34Å; E35-R39 PolarHBondContact O-N 2.85Å
36L96.4Very high94.7Very high59 Ų5985.1 Ų85.131%0.30942%0.423SS..Hα-helixtrans-60.4-43.6177.5178.862.4000111.6F32 L33 V34 S40F32-L36 HydrophobicContact CE1-CD2 4.09Å; F32-L36 HydrophobicContact CZ-CD2 4.34Å; F32-L36 WeakPolarHBondContact O-CB 3.47Å; F32-L36 PolarHBondContact O-N 3.1Å; L33-L36 PolarHBondContact O-N 2.98Å; V34-L36 PolarHBondContact O-N 3.34Å; L36-S40 VanDerWaalsContact O-CB 3.23Å; L36-S40 WeakPolarHBondContact O-CB 3.49Å; L36-S40 PolarHBondContact O-N 2.91Å
37A95.8Very high94.7Very high37 Ų3783.6 Ų83.631%0.30642%0.419SS..Hα-helixtrans-62.8-47.1178.500000111.5M13 L33 V34 E35 S41M13-A37 HydrophobicContact CE-CB 4.1Å; L33-A37 WeakPolarHBondContact O-CB 3.29Å; L33-A37 PolarHBondContact O-N 3.45Å; V34-A37 PolarHBondContact O-N 3.38Å; E35-A37 VanDerWaalsContact C-N 3.34Å; E35-A37 PolarHBondContact O-N 3.34Å; A37-S41 VanDerWaalsContact O-CB 3.31Å; A37-S41 WeakPolarHBondContact O-CB 3.44Å; A37-S41 PolarHBondContact O-N 2.95Å; A37-S41 PolarHBondContact O-OG 2.99Å
38Y96.8Very high95.1Very high133 Ų13378.9 Ų78.952%0.52239%0.388SS..Hα-helixtrans-65-46.4177.1-76.1-61.6000112.3D9 V34 E35 S40 S41 F42D9-Y38 VanDerWaalsContact CG-OH 3.32Å; D9-Y38 PolarHBondContact OD2-OH 3.28Å; V34-Y38 HydrophobicContact CG1-CD2 3.71Å; V34-Y38 HydrophobicContact CG1-CE2 3.43Å; V34-Y38 VanDerWaalsContact CG1-CE2 3.43Å; V34-Y38 WeakPolarHBondContact O-CD2 3.46Å; V34-Y38 PolarHBondContact O-N 3.29Å; E35-Y38 PolarHBondContact O-N 3.2Å; Y38-S40 PolarHBondContact O-N 3.43Å; Y38-S41 PolarHBondContact O-N 3.03Å; Y38-F42 VanDerWaalsContact O-CB 3.23Å; Y38-F42 WeakPolarHBondContact O-CB 3.28Å; Y38-F42 PolarHBondContact O-N 2.88Å
39R96.7Very high95.1Very high138 Ų13874.5 Ų74.552%0.52138%0.375SS..Hα-helixtrans-60.3-47.8178.9-173.3-179.861.974.7-0.2111.2E35 S41 F42 T43E35-R39 VanDerWaalsContact O-CB 3.27Å; E35-R39 WeakPolarHBondContact O-CB 3.34Å; E35-R39 PolarHBondContact O-N 2.85Å; R39-S41 VanDerWaalsContact C-N 3.34Å; R39-S41 PolarHBondContact O-N 2.96Å; R39-F42 PolarHBondContact O-N 3.27Å; R39-T43 WeakPolarHBondContact O-CG2 3.46Å; R39-T43 PolarHBondContact O-N 3.06Å; R39-T43 PolarHBondContact O-OG1 3.32Å; R39-T43 VanDerWaalsContact O-OG1 3.06Å
40S94.2Very high95.1Very high54 Ų5473.7 Ų73.738%0.37837%0.374SS..Hα-helixtrans-63.7-40.3179.3-172.30000112.2L36 Y38 T43 L44L36-S40 VanDerWaalsContact O-CB 3.23Å; L36-S40 WeakPolarHBondContact O-CB 3.49Å; L36-S40 PolarHBondContact O-N 2.91Å; Y38-S40 PolarHBondContact O-N 3.43Å; S40-T43 PolarHBondContact O-OG1 3.37Å; S40-L44 VanDerWaalsContact O-CB 3.27Å; S40-L44 WeakPolarHBondContact O-CB 3.38Å; S40-L44 PolarHBondContact O-N 3.47Å; S40-L44 VanDerWaalsContact O-N 3.15Å
41S95.6Very high95.1Very high66 Ų6674.6 Ų74.646%0.46238%0.379SS..Hα-helixtrans-68.5-41.8178.4-56.50000111A37 Y38 R39 L44 L45A37-S41 VanDerWaalsContact O-CB 3.31Å; A37-S41 WeakPolarHBondContact O-CB 3.44Å; A37-S41 PolarHBondContact O-N 2.95Å; A37-S41 PolarHBondContact O-OG 2.99Å; Y38-S41 PolarHBondContact O-N 3.03Å; R39-S41 VanDerWaalsContact C-N 3.34Å; R39-S41 PolarHBondContact O-N 2.96Å; S41-L44 PolarHBondContact O-N 2.84Å; S41-L45 WeakPolarHBondContact O-CB 3.23Å; S41-L45 VanDerWaalsContact O-CG 3.25Å; S41-L45 WeakPolarHBondContact O-CG 3.31Å; S41-L45 PolarHBondContact O-N 3.33Å
42F96.2Very high95.2Very high125 Ų12569.2 Ų69.255%0.54835%0.35SS..Hα-helixtrans-64.2-49.8178.7-174.2-100.9000111.6Y38 R39 L44 L45 E46Y38-F42 VanDerWaalsContact O-CB 3.23Å; Y38-F42 WeakPolarHBondContact O-CB 3.28Å; Y38-F42 PolarHBondContact O-N 2.88Å; R39-F42 PolarHBondContact O-N 3.27Å; F42-L44 PolarHBondContact O-N 3.08Å; F42-L45 PolarHBondContact O-N 3.23Å; F42-L45 VanDerWaalsContact O-N 3.08Å; F42-E46 HydrophobicContact CD1-CG 4.16Å; F42-E46 HydrophobicContact CE1-CG 3.86Å; F42-E46 WeakPolarHBondContact CE1-OE1 3.47Å; F42-E46 HydrophobicContact CZ-CG 4.11Å; F42-E46 WeakPolarHBondContact CZ-OE1 3.45Å; F42-E46 WeakPolarHBondContact O-CG 3.27Å; F42-E46 PolarHBondContact O-N 2.95Å
43T94.8Very high95.1Very high53 Ų5369 Ų6933%0.32535%0.351SS..Hα-helixtrans-58.6-36.2176.4520000112.1R39 S40 D47R39-T43 WeakPolarHBondContact O-CG2 3.46Å; R39-T43 PolarHBondContact O-N 3.06Å; R39-T43 PolarHBondContact O-OG1 3.32Å; R39-T43 VanDerWaalsContact O-OG1 3.06Å; S40-T43 PolarHBondContact O-OG1 3.37Å; T43-D47 PolarHBondContact O-N 2.88Å; T43-D47 VanDerWaalsContact O-N 3.12Å
44L94.9Very high95Very high31 Ų3176.5 Ų76.516%0.16238%0.378CS..Hα-helixtrans-71.2-36.4178.2-169140.1000112.4S40 S41 F42 A48 V65 A68 I69S40-L44 VanDerWaalsContact O-CB 3.27Å; S40-L44 WeakPolarHBondContact O-CB 3.38Å; S40-L44 PolarHBondContact O-N 3.47Å; S40-L44 VanDerWaalsContact O-N 3.15Å; S41-L44 PolarHBondContact O-N 2.84Å; F42-L44 PolarHBondContact O-N 3.08Å; L44-A48 WeakPolarHBondContact O-CB 3.34Å; L44-A48 PolarHBondContact O-N 2.85Å; L44-V65 HydrophobicContact CD2-CG1 3.71Å; L44-A68 HydrophobicContact CG-CB 4.42Å; L44-I69 HydrophobicContact CD1-CB 4.5Å; L44-I69 HydrophobicContact CD1-CG1 3.57Å; L44-I69 HydrophobicContact CD2-CG1 4.11Å; L44-I69 HydrophobicContact CG-CG1 4.34Å
45L95Very high94.8Very high97 Ų9777.7 Ų77.751%0.50839%0.387SS..Hα-helixtrans-72-33.9175.4-71.7172.8000112.1S41 F42 A48 H49 V65S41-L45 WeakPolarHBondContact O-CB 3.23Å; S41-L45 VanDerWaalsContact O-CG 3.25Å; S41-L45 WeakPolarHBondContact O-CG 3.31Å; S41-L45 PolarHBondContact O-N 3.33Å; F42-L45 PolarHBondContact O-N 3.23Å; F42-L45 VanDerWaalsContact O-N 3.08Å; L45-A48 PolarHBondContact O-N 3.37Å; L45-H49 WeakPolarHBondContact O-CB 3.19Å; L45-H49 PolarHBondContact O-N 2.73Å; L45-V65 HydrophobicContact CD2-CG2 4.46Å
46E95.3Very high94.6Very high100 Ų10079 Ų7947%0.46740%0.399SS..Hα-helixtrans-61.2-47.1170.9-72.3-178.2137.200111F42 A48 H49 A50F42-E46 HydrophobicContact CD1-CG 4.16Å; F42-E46 HydrophobicContact CE1-CG 3.86Å; F42-E46 WeakPolarHBondContact CE1-OE1 3.47Å; F42-E46 HydrophobicContact CZ-CG 4.11Å; F42-E46 WeakPolarHBondContact CZ-OE1 3.45Å; F42-E46 WeakPolarHBondContact O-CG 3.27Å; F42-E46 PolarHBondContact O-N 2.95Å; E46-A48 VanDerWaalsContact C-N 3.34Å; E46-A48 PolarHBondContact O-N 2.97Å; E46-H49 PolarHBondContact O-N 3.48Å; E46-A50 PolarHBondContact O-N 3.47Å
47D93.8Very high94.3Very high78 Ų7879.7 Ų79.742%0.41740%0.399SS..Hα-helixtrans-60.6-42.9175.3-72.1-16.7000111.4T43 H49 A50 L51 A68T43-D47 PolarHBondContact O-N 2.88Å; T43-D47 VanDerWaalsContact O-N 3.12Å; D47-H49 PolarHBondContact O-N 3.45Å; D47-A50 PolarHBondContact O-N 2.8Å; D47-L51 WeakPolarHBondContact O-CG 3.23Å; D47-L51 PolarHBondContact O-N 3.32Å; D47-A68 HydrophobicContact CB-CB 4.03Å
48A95Very high93.9Very high0 Ų086.9 Ų86.90%043%0.426CS..Hα-helixtrans-65.2-36.7176.500000112.8L44 L45 E46 L51 A52 V65 A68L44-A48 WeakPolarHBondContact O-CB 3.34Å; L44-A48 PolarHBondContact O-N 2.85Å; L45-A48 PolarHBondContact O-N 3.37Å; E46-A48 VanDerWaalsContact C-N 3.34Å; E46-A48 PolarHBondContact O-N 2.97Å; A48-L51 PolarHBondContact O-N 3.05Å; A48-A52 PolarHBondContact O-N 2.9Å; A48-V65 HydrophobicContact CB-CB 4.46Å; A48-V65 HydrophobicContact CB-CG2 3.87Å; A48-A68 HydrophobicContact CB-CB 4.15Å
49H94.6Very high93.6Very high89 Ų8985.9 Ų85.941%0.41243%0.434SS..Hα-helixtrans-66.4-43.3175.2-169.3-87.4000111.2L45 E46 D47 L51 A52 E53L45-H49 WeakPolarHBondContact O-CB 3.19Å; L45-H49 PolarHBondContact O-N 2.73Å; E46-H49 PolarHBondContact O-N 3.48Å; D47-H49 PolarHBondContact O-N 3.45Å; H49-L51 VanDerWaalsContact C-N 3.31Å; H49-L51 PolarHBondContact O-N 2.92Å; H49-A52 WeakPolarHBondContact O-CB 3.46Å; H49-A52 PolarHBondContact O-N 3.28Å; H49-A52 VanDerWaalsContact O-N 3.12Å; H49-E53 IonicContact CE1-OE1 3.06Å; H49-E53 PolarHBondContact CE1-OE1 3.46Å; H49-E53 IonicContact ND1-OE1 3.49Å; H49-E53 PolarHBondContact ND1-OE1 3.26Å; H49-E53 WeakPolarHBondContact O-CG 3.36Å; H49-E53 PolarHBondContact O-N 3.49Å
50A94.5Very high93.3Very high36 Ų3681.1 Ų81.130%0.29842%0.424SS..Hα-helixtrans-59.2-42.8174.100000111.5E46 D47 A52 E53 Y54E46-A50 PolarHBondContact O-N 3.47Å; D47-A50 PolarHBondContact O-N 2.8Å; A50-A52 VanDerWaalsContact C-N 3.33Å; A50-A52 PolarHBondContact O-N 2.93Å; A50-E53 WeakPolarHBondContact O-CB 3.46Å; A50-E53 PolarHBondContact O-N 3.34Å; A50-Y54 HydrophobicContact CB-CE2 4.48Å; A50-Y54 WeakPolarHBondContact O-CD2 3.49Å; A50-Y54 PolarHBondContact O-N 3.02Å
51L93.4Very high93.3Very high36 Ų3681.4 Ų81.419%0.18842%0.424CS..Hα-helixtrans-61.4-38.6174-69.1170.3000112.8D47 A48 H49 Y54 S55 D64 L67 A68 L71D47-L51 WeakPolarHBondContact O-CG 3.23Å; D47-L51 PolarHBondContact O-N 3.32Å; A48-L51 PolarHBondContact O-N 3.05Å; H49-L51 VanDerWaalsContact C-N 3.31Å; H49-L51 PolarHBondContact O-N 2.92Å; L51-Y54 PolarHBondContact O-N 3.35Å; L51-S55 PolarHBondContact O-N 2.92Å; L51-D64 HydrophobicContact CB-CB 4.31Å; L51-D64 WeakPolarHBondContact CD1-O 3.35Å; L51-L67 HydrophobicContact CD1-CB 3.99Å; L51-L67 HydrophobicContact CD1-CD2 3.93Å; L51-L67 HydrophobicContact CD1-CG 3.81Å; L51-L67 HydrophobicContact CD2-CD2 3.92Å; L51-L67 HydrophobicContact CD2-CG 4.47Å; L51-L67 HydrophobicContact CG-CD2 4.46Å; L51-A68 HydrophobicContact CD1-CB 4.01Å; L51-L71 HydrophobicContact CD1-CD1 4.23Å; L51-L71 HydrophobicContact CD2-CD1 4.28Å
52A93.6Very high93.3Very high1 Ų181.9 Ų81.91%0.00843%0.432CS..Hα-helixtrans-64.8-44.8175.100000111.5A48 H49 A50 Y54 S55 N56 K57 A60A48-A52 PolarHBondContact O-N 2.9Å; H49-A52 WeakPolarHBondContact O-CB 3.46Å; H49-A52 PolarHBondContact O-N 3.28Å; H49-A52 VanDerWaalsContact O-N 3.12Å; A50-A52 VanDerWaalsContact C-N 3.33Å; A50-A52 PolarHBondContact O-N 2.93Å; A52-Y54 VanDerWaalsContact C-N 3.33Å; A52-Y54 PolarHBondContact O-N 3.42Å; A52-S55 CarbonylContact O-C 3.21Å; A52-S55 WeakPolarHBondContact O-CA 3.49Å; A52-S55 PolarHBondContact O-N 3.29Å; A52-S55 PolarHBondContact O-OG 3.12Å; A52-N56 PolarHBondContact O-N 3.41Å; A52-K57 CarbonylContact C-O 3.59Å; A52-K57 HydrophobicContact CB-CB 4.29Å; A52-K57 PolarHBondContact O-N 2.94Å; A52-A60 HydrophobicContact CB-CB 4.18Å
53E94.5Very high93.2Very high118 Ų11882.6 Ų82.655%0.55144%0.437SS*.Hα-helixtrans-58-42.5174.2-72.1179.6-176.600111.7H49 A50 S55 N56H49-E53 IonicContact CE1-OE1 3.06Å; H49-E53 PolarHBondContact CE1-OE1 3.46Å; H49-E53 IonicContact ND1-OE1 3.49Å; H49-E53 PolarHBondContact ND1-OE1 3.26Å; H49-E53 WeakPolarHBondContact O-CG 3.36Å; H49-E53 PolarHBondContact O-N 3.49Å; A50-E53 WeakPolarHBondContact O-CB 3.46Å; A50-E53 PolarHBondContact O-N 3.34Å; E53-S55 PolarHBondContact O-N 2.94Å; E53-N56 PolarHBondContact O-N 3.31Å
54Y93.7Very high93.3Very high197 Ų19780.7 Ų80.777%0.77342%0.424SS*.Hα-helixtrans-59.7-27.8174.8-77.5-64.7000113.4A50 L51 A52A50-Y54 HydrophobicContact CB-CE2 4.48Å; A50-Y54 WeakPolarHBondContact O-CD2 3.49Å; A50-Y54 PolarHBondContact O-N 3.02Å; L51-Y54 PolarHBondContact O-N 3.35Å; A52-Y54 VanDerWaalsContact C-N 3.33Å; A52-Y54 PolarHBondContact O-N 3.42Å
55S90.8Very high93.3Very high53 Ų5381.1 Ų81.137%0.37143%0.428SS..THydrogen-bonded Turntrans-95.98178.268.40000114L51 A52 E53 K57L51-S55 PolarHBondContact O-N 2.92Å; A52-S55 CarbonylContact O-C 3.21Å; A52-S55 WeakPolarHBondContact O-CA 3.49Å; A52-S55 PolarHBondContact O-N 3.29Å; A52-S55 PolarHBondContact O-OG 3.12Å; E53-S55 PolarHBondContact O-N 2.94Å; S55-K57 PolarHBondContact O-N 3.36Å; S55-K57 VanDerWaalsContact OG-CD 3.26Å; S55-K57 WeakPolarHBondContact OG-CD 3.37Å; S55-K57 VanDerWaalsContact OG-CE 3.28Å; S55-K57 WeakPolarHBondContact OG-CE 3.44Å; S55-K57 VanDerWaalsContact OG-CG 3.28Å; S55-K57 WeakPolarHBondContact OG-CG 3.41Å
56N91Very high93.3Very high158 Ų15879.5 Ų79.585%0.84542%0.424SS*.THydrogen-bonded Turntrans56.432.4-174.1-55.6-70.6000113.6A52 E53A52-N56 PolarHBondContact O-N 3.41Å; E53-N56 PolarHBondContact O-N 3.31Å
57K89.9Confident93.2Very high74 Ų7478.4 Ų78.432%0.32242%0.421SS..  trans-97132.3172.6-62174.6-163.51680109.3A52 S55 V59 D64A52-K57 CarbonylContact C-O 3.59Å; A52-K57 HydrophobicContact CB-CB 4.29Å; A52-K57 PolarHBondContact O-N 2.94Å; S55-K57 PolarHBondContact O-N 3.36Å; S55-K57 VanDerWaalsContact OG-CD 3.26Å; S55-K57 WeakPolarHBondContact OG-CD 3.37Å; S55-K57 VanDerWaalsContact OG-CE 3.28Å; S55-K57 WeakPolarHBondContact OG-CE 3.44Å; S55-K57 VanDerWaalsContact OG-CG 3.28Å; S55-K57 WeakPolarHBondContact OG-CG 3.41Å; K57-V59 VanDerWaalsContact C-N 3.31Å; K57-D64 IonicContact NZ-OD1 2.95Å; K57-D64 PolarHBondContact NZ-OD1 3.44Å; K57-D64 IonicContact NZ-OD2 3.73Å; K57-D64 PolarHBondContact NZ-OD2 3.22Å
58E87.3Confident93.2Very high188 Ų18874.8 Ų74.888%0.87940%0.402SS*.SBendtrans-76.2-19.8175.2-64.9-173.916800113.2
59V91.7Very high93.2Very high112 Ų11277.8 Ų77.868%0.67942%0.418SS*.SBendtrans-125.1125.2-176.9-177.10000109K57 T61K57-V59 VanDerWaalsContact C-N 3.31Å; V59-T61 PolarHBondContact O-N 2.84Å
60A90.7Very high93Very high38 Ų3881.2 Ų81.231%0.31443%0.427SS..  trans-62.1124.3174.200000110.6A52A52-A60 HydrophobicContact CB-CB 4.18Å
61T94.1Very high92.8Very high60 Ų6083.3 Ų83.337%0.36843%0.432SS..  trans-89159.8178.1-50.50000109.8V59 E63 D64 V65V59-T61 PolarHBondContact O-N 2.84Å; T61-E63 HydrophobicContact CG2-CB 4.45Å; T61-E63 HydrophobicContact CG2-CG 4.44Å; T61-E63 PolarHBondContact O-N 3.38Å; T61-E63 VanDerWaalsContact O-N 3.16Å; T61-D64 WeakPolarHBondContact CB-OD2 3.27Å; T61-D64 PolarHBondContact N-OD2 3.15Å; T61-D64 WeakPolarHBondContact O-CB 3.25Å; T61-D64 PolarHBondContact O-N 3Å; T61-D64 PolarHBondContact OG1-OD2 3.39Å; T61-V65 PolarHBondContact O-N 3.49Å
62A94.9Very high92.5Very high76 Ų7684.7 Ų84.763%0.62844%0.44SS*.Hα-helixtrans-56.2-29.8173.500000113.2V65 C66A62-V65 PolarHBondContact O-N 3.15Å; A62-C66 PolarHBondContact O-N 3.02Å; A62-C66 PolarHBondContact O-SG 3.12Å; A62-C66 VanDerWaalsContact O-SG 3.34Å
63E94.8Very high92Very high140 Ų14090.5 Ų90.565%0.65447%0.467SS*.Hα-helixtrans-63.9-39.5174.1-65.2179.517500112.3T61 C66 L67T61-E63 HydrophobicContact CG2-CB 4.45Å; T61-E63 HydrophobicContact CG2-CG 4.44Å; T61-E63 PolarHBondContact O-N 3.38Å; T61-E63 VanDerWaalsContact O-N 3.16Å; E63-C66 PolarHBondContact O-N 2.99Å; E63-L67 WeakPolarHBondContact O-CB 3.44Å; E63-L67 PolarHBondContact O-N 2.93Å
64D95.2Very high91Very high12 Ų1291.2 Ų91.26%0.06447%0.471CS..Hα-helixtrans-69.5-37.9-179.5-49.6-41.8000110L51 K57 T61 L67 A68L51-D64 HydrophobicContact CB-CB 4.31Å; L51-D64 WeakPolarHBondContact CD1-O 3.35Å; K57-D64 IonicContact NZ-OD1 2.95Å; K57-D64 PolarHBondContact NZ-OD1 3.44Å; K57-D64 IonicContact NZ-OD2 3.73Å; K57-D64 PolarHBondContact NZ-OD2 3.22Å; T61-D64 WeakPolarHBondContact CB-OD2 3.27Å; T61-D64 PolarHBondContact N-OD2 3.15Å; T61-D64 WeakPolarHBondContact O-CB 3.25Å; T61-D64 PolarHBondContact O-N 3Å; T61-D64 PolarHBondContact OG1-OD2 3.39Å; D64-L67 PolarHBondContact O-N 3.34Å; D64-A68 PolarHBondContact O-N 3.45Å
65V95.6Very high89.8Confident40 Ų4089.3 Ų89.324%0.24247%0.466CS..Hα-helixtrans-63.8-45.5172.41790000111.4L44 L45 A48 T61 A62 L67 A68 I69L44-V65 HydrophobicContact CD2-CG1 3.71Å; L45-V65 HydrophobicContact CD2-CG2 4.46Å; A48-V65 HydrophobicContact CB-CB 4.46Å; A48-V65 HydrophobicContact CB-CG2 3.87Å; T61-V65 PolarHBondContact O-N 3.49Å; A62-V65 PolarHBondContact O-N 3.15Å; V65-L67 VanDerWaalsContact C-N 3.28Å; V65-L67 PolarHBondContact O-N 3.35Å; V65-A68 PolarHBondContact O-N 3.04Å; V65-I69 HydrophobicContact CG1-CD1 4.22Å; V65-I69 WeakPolarHBondContact O-CG1 3.44Å; V65-I69 PolarHBondContact O-N 3.22Å
66C94.8Very high88.4Confident64 Ų6490.9 Ų90.943%0.43248%0.476SS..Hα-helixtrans-60.5-38.7175.6-76.20000112.1A62 E63 R70A62-C66 PolarHBondContact O-N 3.02Å; A62-C66 PolarHBondContact O-SG 3.12Å; A62-C66 VanDerWaalsContact O-SG 3.34Å; E63-C66 PolarHBondContact O-N 2.99Å; C66-R70 WeakPolarHBondContact O-CG 3.36Å; C66-R70 PolarHBondContact O-N 3.16Å; C66-R70 VanDerWaalsContact O-N 3.16Å
67L94Very high87.3Confident77 Ų7786.2 Ų86.240%0.40346%0.456SS..Hα-helixtrans-67.4-43.4175.7-179.159.8000111.4L51 E63 D64 V65 I69 R70 L71L51-L67 HydrophobicContact CD1-CB 3.99Å; L51-L67 HydrophobicContact CD1-CD2 3.93Å; L51-L67 HydrophobicContact CD1-CG 3.81Å; L51-L67 HydrophobicContact CD2-CD2 3.92Å; L51-L67 HydrophobicContact CD2-CG 4.47Å; L51-L67 HydrophobicContact CG-CD2 4.46Å; E63-L67 WeakPolarHBondContact O-CB 3.44Å; E63-L67 PolarHBondContact O-N 2.93Å; D64-L67 PolarHBondContact O-N 3.34Å; V65-L67 VanDerWaalsContact C-N 3.28Å; V65-L67 PolarHBondContact O-N 3.35Å; L67-I69 VanDerWaalsContact C-N 3.33Å; L67-I69 PolarHBondContact O-N 3.38Å; L67-R70 PolarHBondContact O-N 3.26Å; L67-L71 HydrophobicContact CD1-CD1 4.43Å; L67-L71 HydrophobicContact CD1-CG 4.39Å; L67-L71 HydrophobicContact CG-CD1 4.17Å; L67-L71 WeakPolarHBondContact O-CG 3.26Å; L67-L71 PolarHBondContact O-N 3.46Å
68A93.1Very high86.8Confident1 Ų187.6 Ų87.61%0.00847%0.467CS..Hα-helixtrans-58.4-42.5174.600000112.3L44 D47 A48 L51 D64 V65 L71 N72L44-A68 HydrophobicContact CG-CB 4.42Å; D47-A68 HydrophobicContact CB-CB 4.03Å; A48-A68 HydrophobicContact CB-CB 4.15Å; L51-A68 HydrophobicContact CD1-CB 4.01Å; D64-A68 PolarHBondContact O-N 3.45Å; V65-A68 PolarHBondContact O-N 3.04Å; A68-L71 PolarHBondContact O-N 3.07Å; A68-N72 WeakPolarHBondContact O-CB 3.48Å; A68-N72 PolarHBondContact O-N 3.07Å
69I94Very high86.6Confident64 Ų6483.7 Ų83.733%0.32845%0.451SS..Hα-helixtrans-58.7-50174.9-66.9164.1000110.6L44 V65 L67 L71 N72 E73L44-I69 HydrophobicContact CD1-CB 4.5Å; L44-I69 HydrophobicContact CD1-CG1 3.57Å; L44-I69 HydrophobicContact CD2-CG1 4.11Å; L44-I69 HydrophobicContact CG-CG1 4.34Å; V65-I69 HydrophobicContact CG1-CD1 4.22Å; V65-I69 WeakPolarHBondContact O-CG1 3.44Å; V65-I69 PolarHBondContact O-N 3.22Å; L67-I69 VanDerWaalsContact C-N 3.33Å; L67-I69 PolarHBondContact O-N 3.38Å; I69-L71 PolarHBondContact O-N 3.37Å; I69-N72 WeakPolarHBondContact O-CB 3.28Å; I69-N72 PolarHBondContact O-N 3Å; I69-N72 VanDerWaalsContact O-N 3.07Å; I69-E73 HydrophobicContact CG2-CG 4.33Å; I69-E73 WeakPolarHBondContact O-CG 2.95Å; I69-E73 PolarHBondContact O-N 3.23Å
70R91.8Very high86.4Confident160 Ų16086.7 Ų86.760%0.60445%0.451SS*.Hα-helixtrans-60.6-44.6-179.1-71.5173.5-176.8176.22.5112.3C66 L67 N72 E73 E74C66-R70 WeakPolarHBondContact O-CG 3.36Å; C66-R70 PolarHBondContact O-N 3.16Å; C66-R70 VanDerWaalsContact O-N 3.16Å; L67-R70 PolarHBondContact O-N 3.26Å; R70-N72 PolarHBondContact O-N 3.04Å; R70-E73 PolarHBondContact O-N 3.19Å; R70-E73 VanDerWaalsContact O-N 3.16Å; R70-E74 WeakPolarHBondContact O-CG 3.28Å; R70-E74 PolarHBondContact O-N 2.99Å
71L89.6Confident86.2Confident80 Ų8087.1 Ų87.142%0.41945%0.451SS..Hα-helixtrans-62.1-32.1176.3-70.9170.8000112L51 L67 A68 I69L51-L71 HydrophobicContact CD1-CD1 4.23Å; L51-L71 HydrophobicContact CD2-CD1 4.28Å; L67-L71 HydrophobicContact CD1-CD1 4.43Å; L67-L71 HydrophobicContact CD1-CG 4.39Å; L67-L71 HydrophobicContact CG-CD1 4.17Å; L67-L71 WeakPolarHBondContact O-CG 3.26Å; L67-L71 PolarHBondContact O-N 3.46Å; A68-L71 PolarHBondContact O-N 3.07Å; I69-L71 PolarHBondContact O-N 3.37Å
72N87.1Confident85.9Confident66 Ų6686.5 Ų86.535%0.35345%0.445SS..Hα-helixtrans-75.8-34.8175.5-159.635000112.6A68 I69 R70 K75A68-N72 WeakPolarHBondContact O-CB 3.48Å; A68-N72 PolarHBondContact O-N 3.07Å; I69-N72 WeakPolarHBondContact O-CB 3.28Å; I69-N72 PolarHBondContact O-N 3Å; I69-N72 VanDerWaalsContact O-N 3.07Å; R70-N72 PolarHBondContact O-N 3.04Å; N72-K75 WeakPolarHBondContact O-CB 3.33Å; N72-K75 PolarHBondContact O-N 3.45Å; N72-K75 PolarHBondContact OD1-NZ 3Å
73E84Confident85.7Confident123 Ų12387.3 Ų87.358%0.57544%0.442SS*.Hα-helixtrans-66.8-35.8174.4-72.1174.4172.100112.3I69 R70 K75 C76I69-E73 HydrophobicContact CG2-CG 4.33Å; I69-E73 WeakPolarHBondContact O-CG 2.95Å; I69-E73 PolarHBondContact O-N 3.23Å; R70-E73 PolarHBondContact O-N 3.19Å; R70-E73 VanDerWaalsContact O-N 3.16Å; E73-K75 PolarHBondContact O-N 2.87Å; E73-K75 VanDerWaalsContact O-N 3.15Å; E73-C76 CarbonylContact O-C 3.49Å; E73-C76 WeakPolarHBondContact O-CA 3.48Å; E73-C76 PolarHBondContact O-N 3.3Å
74E71.7Confident85.6Confident133 Ų13386.9 Ų86.962%0.62143%0.434SS*.Hα-helixtrans-59-26.7177.6-75.9177.6-173.700113.1R70 C76 S77R70-E74 WeakPolarHBondContact O-CG 3.28Å; R70-E74 PolarHBondContact O-N 2.99Å; E74-C76 PolarHBondContact O-N 3.41Å; E74-S77 PolarHBondContact O-N 3.39Å; E74-S77 VanDerWaalsContact O-N 3.13Å
75K70.1Confident85.4Confident157 Ų15793.6 Ų93.668%0.68346%0.459SS*.THydrogen-bonded Turntrans-60.2-26.9172.7-60.7177.1-172.4159.90112.3N72 E73N72-K75 WeakPolarHBondContact O-CB 3.33Å; N72-K75 PolarHBondContact O-N 3.45Å; N72-K75 PolarHBondContact OD1-NZ 3Å; E73-K75 PolarHBondContact O-N 2.87Å; E73-K75 VanDerWaalsContact O-N 3.15Å
76C61.4Low85.3Confident85 Ų8596.2 Ų96.257%0.57447%0.468SS*.THydrogen-bonded Turntrans-118.752.4173.9-158.30000109.8E73 E74E73-C76 CarbonylContact O-C 3.49Å; E73-C76 WeakPolarHBondContact O-CA 3.48Å; E73-C76 PolarHBondContact O-N 3.3Å; E74-C76 PolarHBondContact O-N 3.41Å
77S67.2Low85.3Confident60 Ų6094.8 Ų94.842%0.4246%0.461SS..  trans-48.5146.5168.554.50000110.9E74 L79 I82E74-S77 PolarHBondContact O-N 3.39Å; E74-S77 VanDerWaalsContact O-N 3.13Å; S77-L79 PolarHBondContact O-N 2.98Å; S77-I82 WeakPolarHBondContact OG-CD1 3.36Å
78D78.8Confident85.3Confident103 Ų10397 Ų9755%0.55147%0.469SS*.  trans-40.797.5-171.7176.319.1000112.1R80 S81 I82D78-R80 PolarHBondContact O-N 3.47Å; D78-R80 VanDerWaalsContact OD1-CB 3.26Å; D78-R80 WeakPolarHBondContact OD1-CB 3.33Å; D78-R80 PolarHBondContact OD1-N 3.49Å; D78-S81 WeakPolarHBondContact O-CB 3.45Å; D78-S81 PolarHBondContact O-N 3.06Å; D78-S81 PolarHBondContact O-OG 2.99Å; D78-I82 PolarHBondContact O-N 3.16Å
79L83.2Confident85.4Confident107 Ų107103.1 Ų103.156%0.5650%0.498SS*.Hα-helixtrans-56.5-31.3-174.1-69.4174.5000110.6S77 S81 I82 V83S77-L79 PolarHBondContact O-N 2.98Å; L79-S81 VanDerWaalsContact C-N 3.32Å; L79-S81 PolarHBondContact O-N 3.02Å; L79-I82 PolarHBondContact O-N 3.26Å; L79-V83 VanDerWaalsContact O-CB 3.29Å; L79-V83 WeakPolarHBondContact O-CB 3.47Å; L79-V83 WeakPolarHBondContact O-CG2 3.46Å; L79-V83 PolarHBondContact O-N 3.45Å
80R87.9Confident85.3Confident175 Ų175105.8 Ų105.866%0.6651%0.511SS*.Hα-helixtrans-62.5-40.9177.6-171.7-178.9-179.1166.52.2111.6D78 R84D78-R80 PolarHBondContact O-N 3.47Å; D78-R80 VanDerWaalsContact OD1-CB 3.26Å; D78-R80 WeakPolarHBondContact OD1-CB 3.33Å; D78-R80 PolarHBondContact OD1-N 3.49Å; R80-R84 WeakPolarHBondContact O-CB 3.34Å; R80-R84 PolarHBondContact O-N 3.25Å
81S86.7Confident85.4Confident47 Ų47104.2 Ų104.233%0.32952%0.515SS..Hα-helixtrans-68.2-41.4178.476.10000111.9D78 L79 R85D78-S81 WeakPolarHBondContact O-CB 3.45Å; D78-S81 PolarHBondContact O-N 3.06Å; D78-S81 PolarHBondContact O-OG 2.99Å; L79-S81 VanDerWaalsContact C-N 3.32Å; L79-S81 PolarHBondContact O-N 3.02Å; S81-R85 PolarHBondContact O-N 2.79Å
82I88.4Confident85.5Confident46 Ų46104.1 Ų104.124%0.23653%0.526CS..Hα-helixtrans-66.8-50.4178.3-66.2165.4000110.4S77 D78 L79 R84 R85 H86S77-I82 WeakPolarHBondContact OG-CD1 3.36Å; D78-I82 PolarHBondContact O-N 3.16Å; L79-I82 PolarHBondContact O-N 3.26Å; I82-R84 VanDerWaalsContact C-N 3.29Å; I82-R84 PolarHBondContact O-N 2.91Å; I82-R85 PolarHBondContact O-N 2.96Å; I82-H86 PolarHBondContact O-N 3.42Å
83V91Very high85.6Confident94 Ų94106.3 Ų106.357%0.5754%0.541SS*.Hα-helixtrans-62.1-39.6179.1171.90000110.5L79 H86 A87L79-V83 VanDerWaalsContact O-CB 3.29Å; L79-V83 WeakPolarHBondContact O-CB 3.47Å; L79-V83 WeakPolarHBondContact O-CG2 3.46Å; L79-V83 PolarHBondContact O-N 3.45Å; V83-H86 PolarHBondContact O-N 3.47Å; V83-A87 WeakPolarHBondContact O-CB 3.5Å; V83-A87 PolarHBondContact O-N 3.04Å
84R92.6Very high85.8Confident130 Ų130107.4 Ų107.449%0.49155%0.551SS.*Hα-helixtrans-61.5-46.9175.5-178.8-178.3-65.8161.1-3.3111.7R80 I82 H86 A87 E88R80-R84 WeakPolarHBondContact O-CB 3.34Å; R80-R84 PolarHBondContact O-N 3.25Å; I82-R84 VanDerWaalsContact C-N 3.29Å; I82-R84 PolarHBondContact O-N 2.91Å; R84-H86 VanDerWaalsContact C-N 3.34Å; R84-H86 PolarHBondContact O-N 3.34Å; R84-A87 PolarHBondContact O-N 3.4Å; R84-E88 WeakPolarHBondContact CG-OE1 3.37Å; R84-E88 WeakPolarHBondContact O-CG 3.4Å; R84-E88 PolarHBondContact O-N 3.33Å
85R91.2Very high86.4Confident153 Ų153108.9 Ų108.958%0.57756%0.562SS**Hα-helixtrans-57.6-47.4177.6-176.5-171.9-65.8125.5-1111.2S81 I82 A87 E88 E89S81-R85 PolarHBondContact O-N 2.79Å; I82-R85 PolarHBondContact O-N 2.96Å; R85-A87 VanDerWaalsContact C-N 3.35Å; R85-E88 PolarHBondContact O-N 3Å; R85-E89 PolarHBondContact O-N 3.17Å; R85-E89 VanDerWaalsContact O-N 3.13Å
86H93.5Very high87.1Confident96 Ų96107 Ų10744%0.44457%0.567SS.*Hα-helixtrans-67.4-35.3176.9-73-35.8000112.8I82 V83 R84 E89 I90I82-H86 PolarHBondContact O-N 3.42Å; V83-H86 PolarHBondContact O-N 3.47Å; R84-H86 VanDerWaalsContact C-N 3.34Å; R84-H86 PolarHBondContact O-N 3.34Å; H86-E89 IonicContact ND1-OE2 3.03Å; H86-E89 PolarHBondContact ND1-OE2 3.44Å; H86-E89 PolarHBondContact O-N 3.45Å; H86-I90 WeakPolarHBondContact O-CB 3.4Å; H86-I90 VanDerWaalsContact O-CG1 3.23Å; H86-I90 WeakPolarHBondContact O-CG1 3.43Å; H86-I90 PolarHBondContact O-N 2.93Å
87A93.4Very high88.1Confident34 Ų34107.1 Ų107.128%0.28157%0.573SS.*Hα-helixtrans-64.9-40.4175.100000111.4V83 R84 R85 E89 I90 N91V83-A87 WeakPolarHBondContact O-CB 3.5Å; V83-A87 PolarHBondContact O-N 3.04Å; R84-A87 PolarHBondContact O-N 3.4Å; R85-A87 VanDerWaalsContact C-N 3.35Å; A87-E89 VanDerWaalsContact C-N 3.34Å; A87-I90 PolarHBondContact O-N 3.49Å; A87-N91 WeakPolarHBondContact O-CB 3.43Å; A87-N91 PolarHBondContact O-N 3.44Å; A87-N91 PolarHBondContact O-ND2 2.75Å
88E94.3Very high88.3Confident123 Ų123111.7 Ų111.758%0.57559%0.586SS**Hα-helixtrans-62.4-41.1174.5-72.4166.4-171.400111.7R84 R85 A92R84-E88 WeakPolarHBondContact CG-OE1 3.37Å; R84-E88 WeakPolarHBondContact O-CG 3.4Å; R84-E88 PolarHBondContact O-N 3.33Å; R85-E88 PolarHBondContact O-N 3Å; E88-A92 WeakPolarHBondContact O-CB 3.44Å; E88-A92 PolarHBondContact O-N 2.98Å
89E94.5Very high88Confident130 Ų130111.8 Ų111.861%0.60759%0.586SS**Hα-helixtrans-64.7-45.6176.2-176177.1-167.200112.4R85 H86 A87 A92R85-E89 PolarHBondContact O-N 3.17Å; R85-E89 VanDerWaalsContact O-N 3.13Å; H86-E89 IonicContact ND1-OE2 3.03Å; H86-E89 PolarHBondContact ND1-OE2 3.44Å; H86-E89 PolarHBondContact O-N 3.45Å; A87-E89 VanDerWaalsContact C-N 3.34Å; E89-A92 PolarHBondContact O-N 3.05Å
90I93.1Very high87.4Confident119 Ų119115.1 Ų115.161%0.6160%0.599SS**Hα-helixtrans-67.2-43.9177.7-67.5165.4000110.6H86 A87 A92 V93H86-I90 WeakPolarHBondContact O-CB 3.4Å; H86-I90 VanDerWaalsContact O-CG1 3.23Å; H86-I90 WeakPolarHBondContact O-CG1 3.43Å; H86-I90 PolarHBondContact O-N 2.93Å; A87-I90 PolarHBondContact O-N 3.49Å; I90-A92 PolarHBondContact O-N 3.34Å; I90-V93 PolarHBondContact O-N 2.94Å
91N92.7Very high86.3Confident128 Ų128113.6 Ų113.668%0.68460%0.604SS**Hα-helixtrans-75.3-9.4-177.8-64-21000113.2A87A87-N91 WeakPolarHBondContact O-CB 3.43Å; A87-N91 PolarHBondContact O-N 3.44Å; A87-N91 PolarHBondContact O-ND2 2.75Å
92A92.8Very high85Confident77 Ų77117.1 Ų117.164%0.63661%0.614SS**THydrogen-bonded Turntrans-75.5-15171.600000112.6E88 E89 I90 D94E88-A92 WeakPolarHBondContact O-CB 3.44Å; E88-A92 PolarHBondContact O-N 2.98Å; E89-A92 PolarHBondContact O-N 3.05Å; I90-A92 PolarHBondContact O-N 3.34Å; A92-D94 PolarHBondContact O-N 3.22Å
93V89.9Confident83.9Confident112 Ų112120 Ų12068%0.67963%0.63SS**SBendtrans-83.6113.5173.5-176.50000108.3I90I90-V93 PolarHBondContact O-N 2.94Å
94D87.1Confident82.7Confident147 Ų147119.1 Ų119.179%0.78663%0.632SS**PPolyproline II helixtrans-55.8144.6174.1-71.1-33.8000110.6A92A92-D94 PolarHBondContact O-N 3.22Å
95L84.9Confident81.2Confident163 Ų163115.9 Ų115.985%0.85363%0.629SS**PPolyproline II helixtrans-59.2139177.7-71167.3000110.3A97L95-A97 PolarHBondContact O-N 3.16Å
96P84.5Confident79.8Confident119 Ų119111.4 Ų111.477%0.77362%0.619SS**PPolyproline II helixtrans-53.4136171.9-24.333.2000110.6F98P96-F98 PolarHBondContact O-N 3.43Å
97A82Confident78.1Confident87 Ų87109.5 Ų109.572%0.71962%0.616SS**PPolyproline II helixtrans-58.7131.6176.400000110.1L95 N99L95-A97 PolarHBondContact O-N 3.16Å; A97-N99 PolarHBondContact O-N 3.15Å
98F72.4Confident76.3Confident156 Ų156114.1 Ų114.168%0.68464%0.636SS**PPolyproline II helixtrans-73.1120.4172.7-177.6-93.7000108.8P96 E100P96-F98 PolarHBondContact O-N 3.43Å; F98-E100 HydrophobicContact CE1-CG 4.37Å
99N72.1Confident74.6Confident104 Ų104113.7 Ų113.756%0.55664%0.642SS**PPolyproline II helixtrans-96.5134.9166.6-63.4-36.8000107.4A97 D101 F102A97-N99 PolarHBondContact O-N 3.15Å; N99-D101 PolarHBondContact O-N 3Å; N99-F102 WeakPolarHBondContact O-CB 3.42Å; N99-F102 PolarHBondContact O-N 3.16Å
100E69.4Low72.8Confident178 Ų178110.2 Ų110.283%0.83263%0.632SS**THydrogen-bonded Turntrans-58.5-20.6179-66.4-178.1161.700112.9F98 F102F98-E100 HydrophobicContact CE1-CG 4.37Å; E100-F102 VanDerWaalsContact C-N 3.31Å
101D64.8Low71.1Confident143 Ų143110 Ų11077%0.76563%0.631SS**THydrogen-bonded Turntrans-82.8-1.6175.1-54.6-31.2000113.8N99 D103N99-D101 PolarHBondContact O-N 3Å; D101-D103 VanDerWaalsContact C-N 3.26Å; D101-D103 PolarHBondContact O-N 2.91Å
102F60.4Low69.8Low121 Ų121110.9 Ų110.953%0.53164%0.636SS.*  trans-77.876.7-179.6-162.9-93000110.7N99 E100N99-F102 WeakPolarHBondContact O-CB 3.42Å; N99-F102 PolarHBondContact O-N 3.16Å; E100-F102 VanDerWaalsContact C-N 3.31Å
103D65.3Low68.5Low107 Ų107109.9 Ų109.957%0.57262%0.62SS**  trans-76147.1166-75.5-26.3000109.7D101 S105 T106D101-D103 VanDerWaalsContact C-N 3.26Å; D101-D103 PolarHBondContact O-N 2.91Å; D103-S105 VanDerWaalsContact CB-OG 3.23Å; D103-S105 WeakPolarHBondContact CB-OG 3.16Å; D103-S105 PolarHBondContact O-N 3.31Å; D103-T106 PolarHBondContact O-N 3.07Å; D103-T106 PolarHBondContact O-OG1 2.87Å
104A66.7Low67.6Low75 Ų75109.1 Ų109.162%0.6263%0.625SS**Hα-helixtrans-55-11.5173.300000113.6S107 L108A104-S107 PolarHBondContact O-OG 2.9Å; A104-L108 PolarHBondContact O-N 3.26Å
105S59.7Low66.6Low61 Ų61110 Ų11043%0.42763%0.627SS.*Hα-helixtrans-69.7-31.9171.558.60000113.3D103 L108 T109D103-S105 VanDerWaalsContact CB-OG 3.23Å; D103-S105 WeakPolarHBondContact CB-OG 3.16Å; D103-S105 PolarHBondContact O-N 3.31Å; S105-L108 CarbonylContact O-C 3.59Å; S105-L108 WeakPolarHBondContact O-CB 3.35Å; S105-L108 PolarHBondContact O-N 3.13Å; S105-L108 VanDerWaalsContact O-N 3.15Å; S105-T109 WeakPolarHBondContact O-CG2 3.17Å; S105-T109 PolarHBondContact O-N 3.21Å; S105-T109 PolarHBondContact O-OG1 3.4Å
106T61.4Low65.6Low59 Ų59107.8 Ų107.836%0.36261%0.607SS.*Hα-helixtrans-70.5-32.3-179.854.60000112.5D103 T109 S110D103-T106 PolarHBondContact O-N 3.07Å; D103-T106 PolarHBondContact O-OG1 2.87Å; T106-T109 PolarHBondContact O-N 2.76Å; T106-T109 PolarHBondContact O-OG1 3.08Å; T106-T109 VanDerWaalsContact O-OG1 3.07Å; T106-S110 PolarHBondContact O-N 3.07Å
107S58.8Low64.9Low56 Ų56110.9 Ų110.939%0.39261%0.611SS.*Hα-helixtrans-70.8-35.1169.361.90000111.4A104 T109 S110 N113A104-S107 PolarHBondContact O-OG 2.9Å; S107-T109 VanDerWaalsContact C-N 3.33Å; S107-T109 PolarHBondContact O-N 2.91Å; S107-S110 WeakPolarHBondContact O-CB 3.45Å; S107-S110 PolarHBondContact O-N 3.42Å; S107-N113 PolarHBondContact O-ND2 3.49Å
108L56.2Low64.2Low131 Ų131112 Ų11269%0.68661%0.605SS**Hα-helixtrans-66.3-28173.5-76.9166000113.8A104 S105 N113A104-L108 PolarHBondContact O-N 3.26Å; S105-L108 CarbonylContact O-C 3.59Å; S105-L108 WeakPolarHBondContact O-CB 3.35Å; S105-L108 PolarHBondContact O-N 3.13Å; S105-L108 VanDerWaalsContact O-N 3.15Å; L108-N113 WeakPolarHBondContact CA-ND2 3.39Å; L108-N113 PolarHBondContact O-ND2 2.97Å
109T57.6Low64.3Low114 Ų114114.2 Ų114.270%0.69961%0.61SS**Hα-helixtrans-88.4-12.1175.658.50000113.5S105 T106 S107 L111S105-T109 WeakPolarHBondContact O-CG2 3.17Å; S105-T109 PolarHBondContact O-N 3.21Å; S105-T109 PolarHBondContact O-OG1 3.4Å; T106-T109 PolarHBondContact O-N 2.76Å; T106-T109 PolarHBondContact O-OG1 3.08Å; T106-T109 VanDerWaalsContact O-OG1 3.07Å; S107-T109 VanDerWaalsContact C-N 3.33Å; S107-T109 PolarHBondContact O-N 2.91Å; T109-L111 PolarHBondContact O-N 2.72Å
110S57.7Low64.4Low57 Ų57117.9 Ų117.940%0.39962%0.624SS.*SBendtrans-60.9131.5172.3-171.50000110.3T106 S107 D112 N113T106-S110 PolarHBondContact O-N 3.07Å; S107-S110 WeakPolarHBondContact O-CB 3.45Å; S107-S110 PolarHBondContact O-N 3.42Å; S110-D112 PolarHBondContact O-N 3.29Å; S110-N113 PolarHBondContact O-N 3.22Å; S110-N113 PolarHBondContact O-ND2 2.76Å; S110-N113 VanDerWaalsContact O-ND2 3.08Å
111L57.4Low64.7Low114 Ų114114.4 Ų114.460%0.59761%0.61SS**THydrogen-bonded Turntrans-62.4-6.8-172.5-151.777.1000114T109 N113 R116T109-L111 PolarHBondContact O-N 2.72Å; L111-N113 VanDerWaalsContact C-N 3.35Å; L111-R116 VanDerWaalsContact CD2-CZ 3.41Å; L111-R116 VanDerWaalsContact CD2-NH2 3.29Å; L111-R116 WeakPolarHBondContact O-CD 3.42Å
112D65.1Low65.2Low147 Ų147116.7 Ų116.779%0.78661%0.609SS**THydrogen-bonded Turntrans-86.70.1-179-70.9-26.1000113.9S110S110-D112 PolarHBondContact O-N 3.29Å
113N65.2Low66.1Low56 Ų56114.6 Ų114.630%0.29961%0.609SS.*SBendtrans-75.2142.6177.3-65.1-40.5000112.7S107 L108 S110 L111 M115 R116S107-N113 PolarHBondContact O-ND2 3.49Å; L108-N113 WeakPolarHBondContact CA-ND2 3.39Å; L108-N113 PolarHBondContact O-ND2 2.97Å; S110-N113 PolarHBondContact O-N 3.22Å; S110-N113 PolarHBondContact O-ND2 2.76Å; S110-N113 VanDerWaalsContact O-ND2 3.08Å; L111-N113 VanDerWaalsContact C-N 3.35Å; N113-M115 PolarHBondContact O-N 3.47Å; N113-R116 PolarHBondContact O-N 3.15Å
114A70.7Confident66.9Low96 Ų96114.8 Ų114.879%0.79361%0.61SS**THydrogen-bonded Turntrans-59.1-8.4177.900000114.8R116A114-R116 PolarHBondContact O-N 3.45Å
115M66.6Low67.3Low166 Ų166117.3 Ų117.382%0.81861%0.607SS**THydrogen-bonded Turntrans-73.9-9173.4-71-64-58.300113.6N113 E117N113-M115 PolarHBondContact O-N 3.47Å; M115-E117 PolarHBondContact O-N 2.93Å; M115-E117 VanDerWaalsContact O-N 3.17Å
116R64.3Low68.1Low117 Ų117120.1 Ų120.144%0.44261%0.612SS.*  trans-59.9122.8-180-161.6170.2-178.9-175.71.6109.8L111 N113 A114 N118L111-R116 VanDerWaalsContact CD2-CZ 3.41Å; L111-R116 VanDerWaalsContact CD2-NH2 3.29Å; L111-R116 WeakPolarHBondContact O-CD 3.42Å; N113-R116 PolarHBondContact O-N 3.15Å; A114-R116 PolarHBondContact O-N 3.45Å; R116-N118 WeakPolarHBondContact CD-ND2 3.17Å; R116-N118 PolarHBondContact NE-ND2 3.49Å; R116-N118 PolarHBondContact O-N 2.7Å
117E68.7Low68.8Low184 Ų184122.4 Ų122.486%0.8662%0.618SS**  trans-71.845.2-177.8-58.6179.3170.200112.7M115 Y119M115-E117 PolarHBondContact O-N 2.93Å; M115-E117 VanDerWaalsContact O-N 3.17Å; E117-Y119 PolarHBondContact O-N 3.4Å
118N67.8Low69.6Low109 Ų109124 Ų12458%0.58362%0.621SS**  trans-8616.4177.5-74.7-14.9000112.7R116 Q120R116-N118 WeakPolarHBondContact CD-ND2 3.17Å; R116-N118 PolarHBondContact NE-ND2 3.49Å; R116-N118 PolarHBondContact O-N 2.7Å; N118-Q120 PolarHBondContact O-N 2.95Å; N118-Q120 VanDerWaalsContact O-N 3.15Å
119Y74.7Confident70.5Confident204 Ų204122.2 Ų122.280%0.861%0.612SS**  trans-75.3102170.6-62.1-79.8000108.8E117E117-Y119 PolarHBondContact O-N 3.4Å
120Q72.9Confident71.4Confident180 Ų180121.9 Ų121.984%0.84160%0.603SS**PPolyproline II helixtrans-88.6132.6172.4-64.6-176.34.600109.9N118 R122N118-Q120 PolarHBondContact O-N 2.95Å; N118-Q120 VanDerWaalsContact O-N 3.15Å; Q120-R122 PolarHBondContact O-N 2.85Å
121L76.9Confident72.2Confident105 Ų105125.9 Ų125.955%0.5561%0.613SS.*PPolyproline II helixtrans-62.3134.6171.7-158.471000109S123 F125L121-S123 PolarHBondContact O-N 3.02Å; L121-F125 HydrophobicContact CD1-CB 4.22Å; L121-F125 HydrophobicContact CD2-CB 3.64Å; L121-F125 HydrophobicContact CG-CB 3.63Å
122R76.1Confident72.9Confident192 Ų192126.3 Ų126.373%0.72561%0.613SS**PPolyproline II helixtrans-53.6141174.9-67.6-177.4179.2-174.20.1109.6Q120 D124 F125 K126Q120-R122 PolarHBondContact O-N 2.85Å; R122-D124 PolarHBondContact O-N 3.31Å; R122-D124 VanDerWaalsContact O-N 3.08Å; R122-F125 HydrophobicContact CB-CD2 4.32Å; R122-F125 WeakPolarHBondContact O-CB 3.2Å; R122-F125 PolarHBondContact O-N 3.44Å; R122-K126 PolarHBondContact O-N 2.88Å; R122-K126 VanDerWaalsContact O-N 3.1Å
123S78.4Confident72.9Confident76 Ų76124.2 Ų124.253%0.53160%0.602SS.*Hα-helixtrans-49.7-37.8-176.6420000113.7L121 F125 K126 Q127L121-S123 PolarHBondContact O-N 3.02Å; S123-F125 VanDerWaalsContact C-N 3.34Å; S123-F125 PolarHBondContact O-N 3.22Å; S123-K126 PolarHBondContact O-N 3.36Å; S123-Q127 WeakPolarHBondContact O-CG 3.26Å; S123-Q127 PolarHBondContact O-N 3.06Å
124D81Confident72.8Confident111 Ų111127.4 Ų127.459%0.59462%0.624SS**Hα-helixtrans-63.2-41.6-179.1-48.9-25.7000111.5R122 L128R122-D124 PolarHBondContact O-N 3.31Å; R122-D124 VanDerWaalsContact O-N 3.08Å; D124-L128 PolarHBondContact O-N 3.05Å; D124-L128 VanDerWaalsContact O-N 3.13Å
125F76Confident72.1Confident128 Ų128127.7 Ų127.756%0.56162%0.62SS**Hα-helixtrans-72.2-35.7175.9-82.5-78.5000111.8L121 R122 S123 L128 L129L121-F125 HydrophobicContact CD1-CB 4.22Å; L121-F125 HydrophobicContact CD2-CB 3.64Å; L121-F125 HydrophobicContact CG-CB 3.63Å; R122-F125 HydrophobicContact CB-CD2 4.32Å; R122-F125 WeakPolarHBondContact O-CB 3.2Å; R122-F125 PolarHBondContact O-N 3.44Å; S123-F125 VanDerWaalsContact C-N 3.34Å; S123-F125 PolarHBondContact O-N 3.22Å; F125-L128 PolarHBondContact O-N 3.21Å; F125-L129 WeakPolarHBondContact O-CB 3.29Å; F125-L129 PolarHBondContact O-N 2.78Å
126K76.5Confident71.2Confident121 Ų121125 Ų12553%0.52661%0.607SS.*Hα-helixtrans-62.5-43.7175.9-169.3177.5178.9-179.10111.4R122 S123 L128 L129 E130R122-K126 PolarHBondContact O-N 2.88Å; R122-K126 VanDerWaalsContact O-N 3.1Å; S123-K126 PolarHBondContact O-N 3.36Å; K126-L128 VanDerWaalsContact C-N 3.33Å; K126-L128 PolarHBondContact O-N 2.79Å; K126-L129 PolarHBondContact O-N 2.88Å; K126-E130 PolarHBondContact O-N 2.85Å
127Q76Confident70.2Confident106 Ų106122.4 Ų122.450%0.49561%0.611SS.*Hα-helixtrans-64.9-36.5175.2-69.5176.81700112.4S123 K131S123-Q127 WeakPolarHBondContact O-CG 3.26Å; S123-Q127 PolarHBondContact O-N 3.06Å; Q127-K131 WeakPolarHBondContact O-CB 3.21Å; Q127-K131 WeakPolarHBondContact O-CG 3.23Å; Q127-K131 PolarHBondContact O-N 3.33Å
128L76.2Confident69.2Low89 Ų89117.8 Ų117.847%0.46660%0.598SS.*Hα-helixtrans-68.1-40.1176.8-154.1158.6000111.2D124 F125 K126 K131 M132D124-L128 PolarHBondContact O-N 3.05Å; D124-L128 VanDerWaalsContact O-N 3.13Å; F125-L128 PolarHBondContact O-N 3.21Å; K126-L128 VanDerWaalsContact C-N 3.33Å; K126-L128 PolarHBondContact O-N 2.79Å; L128-K131 PolarHBondContact O-N 3.13Å; L128-M132 HydrophobicContact CD2-CE 3.8Å; L128-M132 HydrophobicContact CD2-CG 4.35Å; L128-M132 HydrophobicContact CD2-SD 4.11Å; L128-M132 PolarHBondContact O-N 3.37Å
129L74Confident68.4Low95 Ų95119 Ų11950%0.49760%0.604SS.*Hα-helixtrans-64.4-44.1175.3-157.889.4000111.8F125 K126 K131 M132 N133F125-L129 WeakPolarHBondContact O-CB 3.29Å; F125-L129 PolarHBondContact O-N 2.78Å; K126-L129 PolarHBondContact O-N 2.88Å; L129-K131 VanDerWaalsContact C-N 3.31Å; L129-K131 PolarHBondContact O-N 2.9Å; L129-M132 PolarHBondContact O-N 3.44Å; L129-N133 PolarHBondContact O-N 3.41Å
130E76.4Confident67.5Low107 Ų107115 Ų11550%0.560%0.596SS.*Hα-helixtrans-63.6-36.9176.1-77.3174-174.700111.8K126 N133 T134K126-E130 PolarHBondContact O-N 2.85Å; E130-N133 PolarHBondContact O-N 3.45Å; E130-T134 WeakPolarHBondContact O-CB 3.46Å; E130-T134 WeakPolarHBondContact O-CG2 3.23Å; E130-T134 PolarHBondContact O-N 2.88Å; E130-T134 VanDerWaalsContact O-N 3.09Å; E130-T134 PolarHBondContact O-OG1 3.23Å
131K75.7Confident66.7Low141 Ų141108.2 Ų108.261%0.61357%0.567SS**Hα-helixtrans-66.5-35.2173.9-74.7170.7-175.1177.30112.8Q127 L128 L129 S135Q127-K131 WeakPolarHBondContact O-CB 3.21Å; Q127-K131 WeakPolarHBondContact O-CG 3.23Å; Q127-K131 PolarHBondContact O-N 3.33Å; L128-K131 PolarHBondContact O-N 3.13Å; L129-K131 VanDerWaalsContact C-N 3.31Å; L129-K131 PolarHBondContact O-N 2.9Å; K131-S135 WeakPolarHBondContact O-CB 3.4Å
132M71.3Confident65.4Low122 Ų122109.1 Ų109.160%0.60157%0.572SS**Hα-helixtrans-70.4-44.8174.6-80.2-176.6172.100111.7L128 L129 T134 S135 M136L128-M132 HydrophobicContact CD2-CE 3.8Å; L128-M132 HydrophobicContact CD2-CG 4.35Å; L128-M132 HydrophobicContact CD2-SD 4.11Å; L128-M132 PolarHBondContact O-N 3.37Å; L129-M132 PolarHBondContact O-N 3.44Å; M132-T134 VanDerWaalsContact C-N 3.33Å; M132-T134 PolarHBondContact O-N 3.18Å; M132-S135 PolarHBondContact O-N 3.32Å; M132-M136 PolarHBondContact O-N 2.83Å
133N65.4Low64.2Low103 Ų103106.1 Ų106.155%0.55157%0.57SS**Hα-helixtrans-71.8-23.9-176.5-71-10000113.9L129 E130L129-N133 PolarHBondContact O-N 3.41Å; E130-N133 PolarHBondContact O-N 3.45Å
134T62.7Low63.1Low123 Ų123105.7 Ų105.776%0.75557%0.572SS**Hα-helixtrans-87.7-12.8176.447.90000113.6E130 M132E130-T134 WeakPolarHBondContact O-CB 3.46Å; E130-T134 WeakPolarHBondContact O-CG2 3.23Å; E130-T134 PolarHBondContact O-N 2.88Å; E130-T134 VanDerWaalsContact O-N 3.09Å; E130-T134 PolarHBondContact O-OG1 3.23Å; M132-T134 VanDerWaalsContact C-N 3.33Å; M132-T134 PolarHBondContact O-N 3.18Å
135S57.2Low61.9Low102 Ų102106.8 Ų106.871%0.71358%0.577SS**Hα-helixtrans-100.9-7.1-178.9-175.20000114.5K131 M132K131-S135 WeakPolarHBondContact O-CB 3.4Å; M132-S135 PolarHBondContact O-N 3.32Å
136M47.3Very low60.8Low110 Ų110108.8 Ų108.854%0.54259%0.588SS.*SBendtrans-125.7112.4174.8-96.2155.278.300107.9M132 C138 V141M132-M136 PolarHBondContact O-N 2.83Å; M136-C138 PolarHBondContact O-N 3.46Å; M136-V141 HydrophobicContact CB-CG2 4.06Å; M136-V141 HydrophobicContact CE-CB 4.12Å; M136-V141 HydrophobicContact CE-CG1 3.69Å; M136-V141 HydrophobicContact CE-CG2 3.31Å; M136-V141 HydrophobicContact CG-CG2 4.32Å
137A42Very low59.7Low63 Ų63109.8 Ų109.852%0.52160%0.599SS.*  trans-54.5113160.200000106.5D139 D140A137-D139 PolarHBondContact O-N 3.06Å; A137-D140 PolarHBondContact O-N 2.91Å
138C48.7Very low58.4Low87 Ų87110.3 Ų110.359%0.58861%0.609SS**Hα-helixtrans-55.5-17.4-176.4-73.80000113.1M136 D140 V141M136-C138 PolarHBondContact O-N 3.46Å; C138-D140 VanDerWaalsContact C-N 3.34Å; C138-D140 PolarHBondContact O-N 2.87Å; C138-V141 PolarHBondContact O-N 3.49Å
139D51.7Low56.6Low133 Ų133109.2 Ų109.271%0.71162%0.619SS**Hα-helixtrans-70.3-25.8177.1-67.2-22.4000113.5A137A137-D139 PolarHBondContact O-N 3.06Å
140D55.5Low54.8Low120 Ų120112.7 Ų112.764%0.64264%0.638SS**Hα-helixtrans-81.9-23.8177-71.2-31.6000112.4A137 C138 A144A137-D140 PolarHBondContact O-N 2.91Å; C138-D140 VanDerWaalsContact C-N 3.34Å; C138-D140 PolarHBondContact O-N 2.87Å; D140-A144 WeakPolarHBondContact O-CB 3.38Å; D140-A144 PolarHBondContact O-N 3.38Å
141V54.8Low53.4Low38 Ų38112 Ų11223%0.2365%0.651CS.*Hα-helixtrans-79.1-35.7-173.1-161.10000111.6M136 C138 A144 L145M136-V141 HydrophobicContact CB-CG2 4.06Å; M136-V141 HydrophobicContact CE-CB 4.12Å; M136-V141 HydrophobicContact CE-CG1 3.69Å; M136-V141 HydrophobicContact CE-CG2 3.31Å; M136-V141 HydrophobicContact CG-CG2 4.32Å; C138-V141 PolarHBondContact O-N 3.49Å; V141-A144 PolarHBondContact O-N 3.33Å; V141-L145 HydrophobicContact CG1-CD1 3.72Å; V141-L145 HydrophobicContact CG1-CG 4.3Å; V141-L145 WeakPolarHBondContact O-CB 3.38Å; V141-L145 WeakPolarHBondContact O-CD1 3.2Å; V141-L145 WeakPolarHBondContact O-CG 3.09Å; V141-L145 PolarHBondContact O-N 3.03Å
142L50.4Low51.5Low124 Ų124108.9 Ų108.965%0.64966%0.659SS**Hα-helixtrans-70.4-34.4-178.9-123.3148.3000111.8
143N50.8Low50.3Low129 Ų129111 Ų11169%0.6967%0.671SS**Hα-helixtrans-77.3-25.5174.2-69.1-34000113.1
144A55.8Low49.4Very low68 Ų68111.6 Ų111.656%0.56268%0.68SS**Hα-helixtrans-83.2-21.5177.300000113.6D140 V141D140-A144 WeakPolarHBondContact O-CB 3.38Å; D140-A144 PolarHBondContact O-N 3.38Å; V141-A144 PolarHBondContact O-N 3.33Å
145L54.5Low48.5Very low133 Ų133113.4 Ų113.470%0.69668%0.68SS**Hα-helixtrans-86-14.2-176.4-81.7167.2000114.5V141V141-L145 HydrophobicContact CG1-CD1 3.72Å; V141-L145 HydrophobicContact CG1-CG 4.3Å; V141-L145 WeakPolarHBondContact O-CB 3.38Å; V141-L145 WeakPolarHBondContact O-CD1 3.2Å; V141-L145 WeakPolarHBondContact O-CG 3.09Å; V141-L145 PolarHBondContact O-N 3.03Å
146E54.8Low48Very low171 Ų171118.6 Ų118.680%0.79969%0.69SS**SBendtrans-84.8-14.6175.5-76.3-171.5159.400113.9
147D53.1Low47.7Very low141 Ų141123.5 Ų123.575%0.75470%0.702SS**SBendtrans-1021-167.4-158.334.7000116
148V47.4Very low48Very low118 Ų118129.7 Ų129.772%0.71572%0.721SS**  trans-135.186.9176.9-170.60000110.9
149G39.3Very low47.7Very low65 Ų65134.1 Ų134.167%0.6773%0.73SS**  trans-59.415215400000111.6
150D35.7Very low47.6Very low169 Ų169135.3 Ų135.390%0.90474%0.735SS**  trans67.578.6157.3-15436.9000117.4
151A47.4Very low47.3Very low92 Ų92136.5 Ų136.576%0.7674%0.742SS**  trans-153.4115.1150.800000110.9
152G36.1Very low47.1Very low76 Ų76147.6 Ų147.678%0.78479%0.787SS**PPolyproline II helixtrans-61.7146-171.700000116
153I46.3Very low46.9Very low167 Ų167148.8 Ų148.886%0.85679%0.794SS**PPolyproline II helixtrans-88.2120.5173-57.5170.1000108.2
154P45.4Very low46.7Very low115 Ų115149.8 Ų149.875%0.74780%0.8SS**PPolyproline II helixtrans-77.7126.2178.929.8-31.3000111.3K156P154-K156 PolarHBondContact O-N 3.39Å
155E43.7Very low46.2Very low161 Ų161154.4 Ų154.475%0.75281%0.813SS**PPolyproline II helixtrans-63.9116.9167.3-79.1-171.2122.800110.8R157E155-R157 IonicContact OE1-NE 3.49Å
156K47Very low45.7Very low211 Ų211155.6 Ų155.692%0.91782%0.82SS**  trans-109.285157-100.6-176.2177.7177.90108.8P154P154-K156 PolarHBondContact O-N 3.39Å
157R41Very low45.2Very low213 Ų213154.7 Ų154.780%0.80482%0.821SS**  trans-87.6101.6156.5-67.2-170.9-166.7-157.41.7107.5E155 K159E155-R157 IonicContact OE1-NE 3.49Å; R157-K159 PolarHBondContact O-N 3.05Å
158Q48.6Very low44.7Very low193 Ų193155.6 Ų155.690%0.90283%0.826SS**  trans-69.3115.9168.8-140.7170.8-14.100107.2
159K43.1Very low44.5Very low179 Ų179158.3 Ų158.378%0.77883%0.834SS**  trans-64.9131.1174.6-67.9178.6175.8-1790108.9R157R157-K159 PolarHBondContact O-N 3.05Å
160L48Very low44.9Very low158 Ų158165.5 Ų165.583%0.82785%0.846SS**  trans-82.1107.5158.7-96141.5000106.2
161D50.9Low45.6Very low146 Ų146165.2 Ų165.278%0.78184%0.841SS**  trans-76.8129.1166.7-65.4-42.5000108.4
162F50Low45.5Very low271 Ų271171.8 Ų171.8100%1.18985%0.849SS**  trans-107.30159.4-81.8-79.8000108.3

Retrieved 162 of 162 residues in 96.2 ms (Link to these results)