A0A087WRN8_MOUSE Loading...

Shisa like 1

AlphaFold DB , UniProt , Accession A0A087WRN8, Species MOUSE (Mus musculus, Mouse), Gene Shisal1, Length 157 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
1M35.8Very low45.7Very low243 Ų243125.4 Ų125.4100%1.19767%0.673SS**  080.90-69.4156.5100.600108.3
2T38.8Very low46.6Very low122 Ų122125.2 Ų125.275%0.74867%0.671SS**  trans-147.6-9.6-178.9450000113.8
3S43Very low47.4Very low100 Ų100118.8 Ų118.870%0.69965%0.646SS**Hα-helixtrans-77.7-26.5-170-178.30000114.6
4C39.8Very low48.1Very low119 Ų119116.4 Ų116.480%0.80464%0.637SS**Hα-helixtrans-71.5-35.6-179.7-117.20000113.4
5G37.3Very low48.6Very low42 Ų42116.5 Ų116.543%0.43363%0.629SS.*Hα-helixtrans-73.9-26-179.700000113.9R9G5-R9 WeakPolarHBondContact O-CB 3.38Å; G5-R9 WeakPolarHBondContact O-CG 3.41Å; G5-R9 PolarHBondContact O-N 3.26Å
6Q46Very low49Very low124 Ų124114.4 Ų114.458%0.57963%0.626SS**Hα-helixtrans-71.8-38.6177.6-152.196.8-5.700111.5N10Q6-N10 VanDerWaalsContact O-CG 3.26Å; Q6-N10 PolarHBondContact O-N 3.25Å; Q6-N10 VanDerWaalsContact O-N 3.13Å; Q6-N10 PolarHBondContact O-ND2 2.88Å
7R45.7Very low49.3Very low185 Ų185115.7 Ų115.770%0.69863%0.631SS**Hα-helixtrans-72-39.5-177.4-167.2175.5-179.2-177.50112.4N10 V11R7-N10 PolarHBondContact O-N 3.03Å; R7-V11 WeakPolarHBondContact O-CG2 3.16Å; R7-V11 PolarHBondContact O-N 2.86Å
8S50.7Low49.5Very low71 Ų71115.8 Ų115.850%0.49763%0.63SS.*Hα-helixtrans-70.8-35.9176.280.50000112.2N10 V11 L12S8-N10 VanDerWaalsContact C-N 3.33Å; S8-N10 PolarHBondContact O-N 3.07Å; S8-V11 PolarHBondContact O-N 3.39Å; S8-L12 PolarHBondContact O-N 3.16Å
9R52.8Low49.7Very low193 Ų193115.5 Ų115.573%0.72862%0.622SS**Hα-helixtrans-59.9-40.9171.9-85.7-179.2159.9177-5.3112.4G5 L12 A13G5-R9 WeakPolarHBondContact O-CB 3.38Å; G5-R9 WeakPolarHBondContact O-CG 3.41Å; G5-R9 PolarHBondContact O-N 3.26Å; R9-L12 PolarHBondContact O-N 3.24Å; R9-A13 VanDerWaalsContact O-CB 3.25Å; R9-A13 WeakPolarHBondContact O-CB 3.4Å; R9-A13 PolarHBondContact O-N 3.44Å
10N56.8Low49.7Very low99 Ų99114.5 Ų114.553%0.52962%0.622SS.*Hα-helixtrans-68.6-36.5177.8-71.2-16.9000112.6Q6 R7 S8 A13 V14Q6-N10 VanDerWaalsContact O-CG 3.26Å; Q6-N10 PolarHBondContact O-N 3.25Å; Q6-N10 VanDerWaalsContact O-N 3.13Å; Q6-N10 PolarHBondContact O-ND2 2.88Å; R7-N10 PolarHBondContact O-N 3.03Å; S8-N10 VanDerWaalsContact C-N 3.33Å; S8-N10 PolarHBondContact O-N 3.07Å; N10-A13 PolarHBondContact O-N 3.1Å; N10-V14 VanDerWaalsContact O-CG2 3.25Å; N10-V14 WeakPolarHBondContact O-CG2 3.29Å; N10-V14 PolarHBondContact O-N 3.5Å
11V56.3Low49.5Very low81 Ų81113 Ų11349%0.49163%0.625SS.*Hα-helixtrans-69.3-42175.6174.90000111.2R7 S8 A13 V14 F15R7-V11 WeakPolarHBondContact O-CG2 3.16Å; R7-V11 PolarHBondContact O-N 2.86Å; S8-V11 PolarHBondContact O-N 3.39Å; V11-A13 VanDerWaalsContact C-N 3.32Å; V11-A13 PolarHBondContact O-N 3.05Å; V11-V14 PolarHBondContact O-N 3.39Å; V11-F15 HydrophobicContact CG1-CD2 4.24Å; V11-F15 PolarHBondContact O-N 3.2Å
12L55.8Low50Low123 Ų123106.7 Ų106.764%0.64460%0.6SS**Hα-helixtrans-63.6-39.4174.4-122.4105.7000111.6S8 R9 F15 S16S8-L12 PolarHBondContact O-N 3.16Å; R9-L12 PolarHBondContact O-N 3.24Å; L12-F15 PolarHBondContact O-N 3.03Å; L12-S16 WeakPolarHBondContact O-CB 3.46Å; L12-S16 PolarHBondContact O-N 2.86Å; L12-S16 PolarHBondContact O-OG 3.4Å
13A57.3Low50.4Low43 Ų43105.6 Ų105.636%0.35559%0.589SS.*Hα-helixtrans-65.5-41.8176.500000111.9R9 N10 V11 S16 L17R9-A13 VanDerWaalsContact O-CB 3.25Å; R9-A13 WeakPolarHBondContact O-CB 3.4Å; R9-A13 PolarHBondContact O-N 3.44Å; N10-A13 PolarHBondContact O-N 3.1Å; V11-A13 VanDerWaalsContact C-N 3.32Å; V11-A13 PolarHBondContact O-N 3.05Å; A13-S16 PolarHBondContact O-N 3Å; A13-L17 WeakPolarHBondContact O-CB 3.33Å; A13-L17 WeakPolarHBondContact O-CG 3.2Å; A13-L17 PolarHBondContact O-N 3.47Å
14V57.6Low50.6Low84 Ų84104.6 Ų104.651%0.50958%0.582SS.*Hα-helixtrans-64.4-42.1175171.20000111.2N10 V11 L17 L18N10-V14 VanDerWaalsContact O-CG2 3.25Å; N10-V14 WeakPolarHBondContact O-CG2 3.29Å; N10-V14 PolarHBondContact O-N 3.5Å; V11-V14 PolarHBondContact O-N 3.39Å; V14-L17 PolarHBondContact O-N 3.4Å; V14-L18 HydrophobicContact CG1-CD1 4.16Å; V14-L18 WeakPolarHBondContact O-CG 3.41Å; V14-L18 PolarHBondContact O-N 3.28Å
15F55.3Low51.1Low119 Ų119101.9 Ų101.952%0.52257%0.568SS.*Hα-helixtrans-61-48.9172.8-100.5-86.8000111.1V11 L12 L17 L18 F19V11-F15 HydrophobicContact CG1-CD2 4.24Å; V11-F15 PolarHBondContact O-N 3.2Å; L12-F15 PolarHBondContact O-N 3.03Å; F15-L17 PolarHBondContact O-N 3.14Å; F15-L18 PolarHBondContact O-N 3.42Å; F15-L18 VanDerWaalsContact O-N 3.09Å; F15-F19 HydrophobicContact CB-CE2 4.21Å; F15-F19 AromaticContact CD1-CE2 3.83Å; F15-F19 HydrophobicContact CD1-CE2 3.83Å; F15-F19 AromaticContact CD1-CZ 3.88Å; F15-F19 HydrophobicContact CD1-CZ 3.88Å; F15-F19 HydrophobicContact CE1-CZ 4.49Å; F15-F19 WeakPolarHBondContact O-CD2 3.3Å; F15-F19 WeakPolarHBondContact O-CE2 3.43Å
16S55.7Low52Low82 Ų82104.4 Ų104.457%0.57357%0.568SS**Hα-helixtrans-59.1-30.7176.8-71.70000114L12 A13L12-S16 WeakPolarHBondContact O-CB 3.46Å; L12-S16 PolarHBondContact O-N 2.86Å; L12-S16 PolarHBondContact O-OG 3.4Å; A13-S16 PolarHBondContact O-N 3Å
17L54.1Low52.7Low137 Ų137101.4 Ų101.472%0.71755%0.554SS**Hα-helixtrans-78.7-18.4178.1-72.8168.1000113.8A13 V14 F15 P20A13-L17 WeakPolarHBondContact O-CB 3.33Å; A13-L17 WeakPolarHBondContact O-CG 3.2Å; A13-L17 PolarHBondContact O-N 3.47Å; V14-L17 PolarHBondContact O-N 3.4Å; F15-L17 PolarHBondContact O-N 3.14Å; L17-P20 WeakPolarHBondContact O-CD 3.38Å
18L53.1Low53.9Low117 Ų11798.7 Ų98.761%0.61354%0.543SS*.Hα-helixtrans-85.4-12-179.4-73.4165.8000113.7V14 F15V14-L18 HydrophobicContact CG1-CD1 4.16Å; V14-L18 WeakPolarHBondContact O-CG 3.41Å; V14-L18 PolarHBondContact O-N 3.28Å; F15-L18 PolarHBondContact O-N 3.42Å; F15-L18 VanDerWaalsContact O-N 3.09Å
19F52.3Low55.3Low111 Ų11197.7 Ų97.749%0.48753%0.534SS..SBendtrans-88.5-21.3-172.2-69.8-67.7000118.5F15 A21F15-F19 HydrophobicContact CB-CE2 4.21Å; F15-F19 AromaticContact CD1-CE2 3.83Å; F15-F19 HydrophobicContact CD1-CE2 3.83Å; F15-F19 AromaticContact CD1-CZ 3.88Å; F15-F19 HydrophobicContact CD1-CZ 3.88Å; F15-F19 HydrophobicContact CE1-CZ 4.49Å; F15-F19 WeakPolarHBondContact O-CD2 3.3Å; F15-F19 WeakPolarHBondContact O-CE2 3.43Å; F19-A21 VanDerWaalsContact C-N 3.31Å; F19-A21 PolarHBondContact O-N 3.49Å
20P50.6Low56.7Low94 Ų9488.6 Ų88.661%0.6150%0.5SS*.G310 helixtrans-79.8-9.3-177.131-33.2000114L17 V22L17-P20 WeakPolarHBondContact O-CD 3.38Å; P20-V22 VanDerWaalsContact C-N 3.35Å; P20-V22 PolarHBondContact O-N 2.96Å
21A45.9Very low57.9Low83 Ų8390.1 Ų90.169%0.68650%0.504SS*.G310 helixtrans-75.2-17.5-173.400000114.8F19F19-A21 VanDerWaalsContact C-N 3.31Å; F19-A21 PolarHBondContact O-N 3.49Å
22V46.3Very low59.2Low112 Ų11289.4 Ų89.468%0.67950%0.501SS*.G310 helixtrans-87.8-20.5-172.2179.10000113P20 S24P20-V22 VanDerWaalsContact C-N 3.35Å; P20-V22 PolarHBondContact O-N 2.96Å; V22-S24 VanDerWaalsContact C-N 3.31Å; V22-S24 PolarHBondContact O-N 2.86Å
23L47.3Very low60.4Low99 Ų9984.8 Ų84.852%0.51848%0.475SS..G310 helixtrans-74.9-14.6-175.8-81.2140.9000114.4A25L23-A25 VanDerWaalsContact C-N 3.34Å; L23-A25 PolarHBondContact O-N 3Å
24S46.5Very low61.6Low78 Ų7887 Ų8755%0.54548%0.484SS..G310 helixtrans-77.6-15.2-176.4-173.30000114.2V22V22-S24 VanDerWaalsContact C-N 3.31Å; V22-S24 PolarHBondContact O-N 2.86Å
25A50.6Low62.8Low63 Ų6383.5 Ų83.552%0.52146%0.463SS..G310 helixtrans-78.6-20.9-172.100000114.4L23 F27 R28L23-A25 VanDerWaalsContact C-N 3.34Å; L23-A25 PolarHBondContact O-N 3Å; A25-F27 PolarHBondContact O-N 2.94Å; A25-R28 PolarHBondContact O-N 3.21Å
26H55.5Low64.1Low94 Ų9484.1 Ų84.144%0.43547%0.467SS..G310 helixtrans-70.2-26.5-169.9-78.1-75.8000114.5N94H26-N94 PolarHBondContact NE2-ND2 2.87Å
27F61.4Low65.4Low61 Ų6187 Ų8727%0.26847%0.469SS..G310 helixtrans-88.5-8.5-177.7-65.7-79000114.2A25 V29 L57 C58 F75 Y90A25-F27 PolarHBondContact O-N 2.94Å; F27-V29 VanDerWaalsContact C-N 3.34Å; F27-L57 HydrophobicContact CB-CD2 3.71Å; F27-L57 WeakPolarHBondContact O-CA 3.31Å; F27-C58 PolarHBondContact O-N 3.32Å; F27-F75 HydrophobicContact CD1-CE2 4.37Å; F27-F75 AromaticContact CD1-CZ 3.94Å; F27-F75 HydrophobicContact CD1-CZ 3.94Å; F27-F75 HydrophobicContact CE1-CZ 4.34Å; F27-Y90 HydrophobicContact CE1-CE1 4.41Å; F27-Y90 HydrophobicContact CE1-CE2 4.48Å; F27-Y90 AromaticContact CE1-CZ 3.8Å; F27-Y90 WeakPolarHBondContact CE1-OH 3.43Å; F27-Y90 AromaticContact CE2-CE1 3.46Å; F27-Y90 HydrophobicContact CE2-CE1 3.46Å; F27-Y90 VanDerWaalsContact CE2-CE1 3.46Å; F27-Y90 AromaticContact CE2-CZ 3.55Å; F27-Y90 WeakPolarHBondContact CE2-OH 3.39Å; F27-Y90 HydrophobicContact CZ-CD1 4.47Å; F27-Y90 AromaticContact CZ-CE1 3.37Å; F27-Y90 HydrophobicContact CZ-CE1 3.37Å; F27-Y90 HydrophobicContact CZ-CE2 4.12Å; F27-Y90 AromaticContact CZ-CZ 3.17Å; F27-Y90 WeakPolarHBondContact CZ-OH 3.08Å
28R70.8Confident66.8Low128 Ų12883.5 Ų83.548%0.48347%0.467SS..G310 helixtrans-89.5-3.4178-53.5-158.3-177.7179.90.5113.3A25 C46 V56A25-R28 PolarHBondContact O-N 3.21Å; R28-C46 PolarHBondContact O-N 2.94Å; R28-V56 WeakPolarHBondContact CA-O 3.44Å; R28-V56 WeakPolarHBondContact CG-O 3.23Å
29V79.3Confident68.3Low51 Ų5185.9 Ų85.931%0.30947%0.467SS..EExtended strand (participates in β ladder)trans-120.9119.3-177.4-165.40000108.9F27 H45F27-V29 VanDerWaalsContact C-N 3.34Å; V29-H45 WeakPolarHBondContact CG2-CE1 3.35Å; V29-H45 WeakPolarHBondContact CG2-ND1 3.29Å
30C82.9Confident69.9Low1 Ų187.1 Ų87.11%0.00747%0.47CS..EExtended strand (participates in β ladder)trans-83.2112.4167.8-690000109.1G43 F44 C58 K67C30-G43 CarbonylContact O-C 3.53Å; C30-G43 WeakPolarHBondContact O-CA 3.33Å; C30-F44 HydrophobicContact CB-CD1 4.05Å; C30-F44 HydrophobicContact CB-CD2 4.07Å; C30-F44 HydrophobicContact CB-CE1 3.78Å; C30-F44 HydrophobicContact CB-CE2 3.8Å; C30-F44 HydrophobicContact CB-CG 4.2Å; C30-F44 HydrophobicContact CB-CZ 3.65Å; C30-F44 PolarHBondContact N-O 3.43Å; C30-F44 PolarHBondContact O-N 2.82Å; C30-F44 WeakPolarHBondContact SG-CE2 3.2Å; C30-F44 WeakPolarHBondContact SG-CZ 3.37Å; C30-C58 WeakPolarHBondContact CA-SG 3.23Å; C30-C58 HydrophobicContact CB-CB 4.13Å; C30-C58 WeakPolarHBondContact CB-SG 3.36Å; C30-C58 WeakPolarHBondContact SG-CB 3.36Å; C30-C58 CovalentContact SG-SG 2.03Å; C30-C58 PolarHBondContact SG-SG 2.91Å; C30-K67 HydrophobicContact CB-CB 4.35Å; C30-K67 HydrophobicContact CB-CD 4.29Å
31E81.4Confident71.5Confident132 Ų13285.4 Ų85.462%0.61745%0.454SS*.  trans-63.5150.2174.9-66176.7144.500112K67E31-K67 PolarHBondContact O-NZ 2.88Å
32P84.3Confident73.4Confident66 Ų6689.4 Ų89.443%0.42946%0.456SS..  trans-55.6149.2175.222.9-32.1000112Y40 H41P32-Y40 HydrophobicContact CB-CE2 4.1Å; P32-Y40 VanDerWaalsContact CB-OH 3.23Å; P32-Y40 WeakPolarHBondContact CB-OH 3.41Å; P32-H41 VanDerWaalsContact CA-O 3.26Å; P32-H41 WeakPolarHBondContact CA-O 3.41Å; P32-H41 WeakPolarHBondContact CB-O 3.07Å
33Y80.3Confident75.2Confident26 Ų2685.9 Ų85.910%0.10244%0.442CS..EExtended strand (participates in β ladder)trans-146156.1-178.163.1-89.6000111.8H41 V65 F66 K67Y33-H41 HydrophobicContact CD1-CB 4.09Å; Y33-H41 HydrophobicContact CD2-CB 4.03Å; Y33-H41 HydrophobicContact CE1-CB 3.81Å; Y33-H41 HydrophobicContact CE2-CB 3.76Å; Y33-H41 AromaticContact CE2-CD2 3.58Å; Y33-H41 AromaticContact CE2-CG 3.66Å; Y33-H41 HydrophobicContact CG-CB 4.22Å; Y33-H41 AromaticContact CZ-CG 3.79Å; Y33-H41 PolarHBondContact N-O 3.28Å; Y33-H41 PolarHBondContact O-N 3.37Å; Y33-V65 HydrophobicContact CD2-CG1 3.77Å; Y33-V65 VanDerWaalsContact CD2-O 3.25Å; Y33-V65 WeakPolarHBondContact CD2-O 3.25Å; Y33-V65 WeakPolarHBondContact CE2-O 3.5Å; Y33-V65 HydrophobicContact CG-CG1 4.4Å; Y33-F66 HydrophobicContact CE2-CD1 4.28Å; Y33-K67 HydrophobicContact CD1-CB 4.26Å; Y33-K67 HydrophobicContact CD1-CD 3.71Å; Y33-K67 HydrophobicContact CD1-CG 3.81Å; Y33-K67 HydrophobicContact CE1-CB 3.82Å; Y33-K67 HydrophobicContact CE1-CD 4.15Å; Y33-K67 HydrophobicContact CE1-CG 3.85Å; Y33-K67 HydrophobicContact CG-CD 4.45Å; Y33-K67 HydrophobicContact CG-CG 4.48Å; Y33-K67 PolarHBondContact OH-N 2.79Å
34T82.4Confident77.1Confident88 Ų8882.5 Ų82.554%0.5442%0.423SS..EExtended strand (participates in β ladder)trans-105.5121.9172.3500000109.4R39 Y40 V65T34-R39 CarbonylContact C-O 3.39Å; T34-R39 VanDerWaalsContact CA-O 3.32Å; T34-R39 WeakPolarHBondContact CA-O 3.22Å; T34-Y40 HydrophobicContact CG2-CD2 3.95Å; T34-V65 WeakPolarHBondContact O-CG1 3.43Å
35D82.1Confident78.9Confident11 Ų1185.1 Ų85.16%0.05943%0.426CS..  trans-66.7165.1177.8-167.825.8000111.8K37 G38 R39 F66D35-K37 PolarHBondContact O-N 3.35Å; D35-G38 WeakPolarHBondContact O-CA 3.31Å; D35-G38 PolarHBondContact O-N 2.86Å; D35-R39 HydrophobicContact CB-CB 4.49Å; D35-R39 PolarHBondContact N-O 3.23Å; D35-F66 VanDerWaalsContact OD2-CZ 3.31Å; D35-F66 WeakPolarHBondContact OD2-CZ 3.4Å
36H82.4Confident80.5Confident133 Ų13382.6 Ų82.662%0.61641%0.405SS*.THydrogen-bonded Turntrans-56.3-19.9176.559.6-76.7000113.7G38H36-G38 VanDerWaalsContact C-N 3.32Å
37K84.1Confident81.8Confident142 Ų14281 Ų8162%0.61740%0.403SS*.THydrogen-bonded Turntrans-88.99173.9-62.2177.9-177.61730113.7D35 R39D35-K37 PolarHBondContact O-N 3.35Å; K37-R39 HydrophobicContact CB-CG 4.47Å; K37-R39 PolarHBondContact O-N 2.72Å
38G82.8Confident82.7Confident64 Ų6484 Ų8466%0.6641%0.413SS*.SBendtrans71.812.9-177.400000114.4D35 H36D35-G38 WeakPolarHBondContact O-CA 3.31Å; D35-G38 PolarHBondContact O-N 2.86Å; H36-G38 VanDerWaalsContact C-N 3.32Å
39R86.1Confident83.2Confident167 Ų16787 Ų8763%0.6344%0.437SS*.  trans-83129178.8-67-175.8-177.4175.5-0.8110.1T34 D35 K37 H41T34-R39 CarbonylContact C-O 3.39Å; T34-R39 VanDerWaalsContact CA-O 3.32Å; T34-R39 WeakPolarHBondContact CA-O 3.22Å; D35-R39 HydrophobicContact CB-CB 4.49Å; D35-R39 PolarHBondContact N-O 3.23Å; K37-R39 HydrophobicContact CB-CG 4.47Å; K37-R39 PolarHBondContact O-N 2.72Å; R39-H41 PolarHBondContact O-CD2 3.42Å
40Y84.4Confident83.2Confident136 Ų13690.2 Ų90.253%0.53346%0.462SS..EExtended strand (participates in β ladder)trans-82.4129177.7-175.5-96.8000111.1P32 T34 F42P32-Y40 HydrophobicContact CB-CE2 4.1Å; P32-Y40 VanDerWaalsContact CB-OH 3.23Å; P32-Y40 WeakPolarHBondContact CB-OH 3.41Å; T34-Y40 HydrophobicContact CG2-CD2 3.95Å; Y40-F42 HydrophobicContact CD1-CD1 4.41Å; Y40-F42 HydrophobicContact CD1-CE1 4.33Å; Y40-F42 AromaticContact CE1-CD1 3.8Å; Y40-F42 HydrophobicContact CE1-CD1 3.8Å; Y40-F42 AromaticContact CE1-CE1 3.95Å; Y40-F42 HydrophobicContact CE1-CE1 3.95Å; Y40-F42 HydrophobicContact CE1-CG 4.41Å
41H85.1Confident83.1Confident59 Ų5992.9 Ų92.927%0.27348%0.476SS..EExtended strand (participates in β ladder)trans-113.8128.8174.9-68.1-93.1000109.7P32 Y33 R39P32-H41 VanDerWaalsContact CA-O 3.26Å; P32-H41 WeakPolarHBondContact CA-O 3.41Å; P32-H41 WeakPolarHBondContact CB-O 3.07Å; Y33-H41 HydrophobicContact CD1-CB 4.09Å; Y33-H41 HydrophobicContact CD2-CB 4.03Å; Y33-H41 HydrophobicContact CE1-CB 3.81Å; Y33-H41 HydrophobicContact CE2-CB 3.76Å; Y33-H41 AromaticContact CE2-CD2 3.58Å; Y33-H41 AromaticContact CE2-CG 3.66Å; Y33-H41 HydrophobicContact CG-CB 4.22Å; Y33-H41 AromaticContact CZ-CG 3.79Å; Y33-H41 PolarHBondContact N-O 3.28Å; Y33-H41 PolarHBondContact O-N 3.37Å; R39-H41 PolarHBondContact O-CD2 3.42Å
42F85.1Confident83.2Confident167 Ų16791.5 Ų91.573%0.73247%0.473SS*.  trans-66.8149.2177.3-58.2-79.7000111.6Y40Y40-F42 HydrophobicContact CD1-CD1 4.41Å; Y40-F42 HydrophobicContact CD1-CE1 4.33Å; Y40-F42 AromaticContact CE1-CD1 3.8Å; Y40-F42 HydrophobicContact CE1-CD1 3.8Å; Y40-F42 AromaticContact CE1-CE1 3.95Å; Y40-F42 HydrophobicContact CE1-CE1 3.95Å; Y40-F42 HydrophobicContact CE1-CG 4.41Å
43G84.8Confident83.1Confident38 Ų3897 Ų9739%0.39249%0.49SS..  trans-69152.817100000111.7C30C30-G43 CarbonylContact O-C 3.53Å; C30-G43 WeakPolarHBondContact O-CA 3.33Å
44F86.4Confident83Confident28 Ų2899 Ų9912%0.12351%0.505CS..EExtended strand (participates in β ladder)trans-147.4155.5-178.358.4-90.3000112C30 R48 K67C30-F44 HydrophobicContact CB-CD1 4.05Å; C30-F44 HydrophobicContact CB-CD2 4.07Å; C30-F44 HydrophobicContact CB-CE1 3.78Å; C30-F44 HydrophobicContact CB-CE2 3.8Å; C30-F44 HydrophobicContact CB-CG 4.2Å; C30-F44 HydrophobicContact CB-CZ 3.65Å; C30-F44 PolarHBondContact N-O 3.43Å; C30-F44 PolarHBondContact O-N 2.82Å; C30-F44 WeakPolarHBondContact SG-CE2 3.2Å; C30-F44 WeakPolarHBondContact SG-CZ 3.37Å; F44-R48 VanDerWaalsContact CD2-NH2 3.33Å; F44-K67 HydrophobicContact CZ-CB 4.38Å; F44-K67 WeakPolarHBondContact CZ-O 3.48Å
45H85.6Confident83Confident132 Ų13297.4 Ų97.461%0.61149%0.491SS*.EExtended strand (participates in β ladder)trans-94.7145176.9-71.3-91.2000111.5V29V29-H45 WeakPolarHBondContact CG2-CE1 3.35Å; V29-H45 WeakPolarHBondContact CG2-ND1 3.29Å
46C83.6Confident83.1Confident11 Ų1198.8 Ų98.87%0.07450%0.5CS..SBendtrans-104.4141.5172.2-63.80000110.6R28 F55 C69R28-C46 PolarHBondContact O-N 2.94Å; C46-F55 WeakPolarHBondContact CB-O 3.35Å; C46-C69 VanDerWaalsContact CA-SG 3.52Å; C46-C69 HydrophobicContact CB-CB 3.83Å; C46-C69 WeakPolarHBondContact CB-SG 3.42Å; C46-C69 WeakPolarHBondContact SG-CA 3.22Å; C46-C69 WeakPolarHBondContact SG-CB 3.35Å; C46-C69 CovalentContact SG-SG 2.04Å; C46-C69 PolarHBondContact SG-SG 2.83Å
47P82.3Confident83.1Confident60 Ų6093.6 Ų93.639%0.3948%0.476SS..SBendcis-80.6147.2-1.931.7-32.1000112D51 F55P47-D51 HydrophobicContact CB-CB 4.23Å; P47-F55 WeakPolarHBondContact CA-O 3.41Å; P47-F55 WeakPolarHBondContact CB-O 3.47Å
48R81Confident83Confident125 Ų12587.9 Ų87.947%0.47245%0.454SS..  trans-73.2163.1168.4-60.4-177.5173.5-177.10.8110.1F44 S50 D51F44-R48 VanDerWaalsContact CD2-NH2 3.33Å; R48-S50 PolarHBondContact O-N 3.18Å; R48-S50 VanDerWaalsContact O-N 3.11Å; R48-D51 HydrophobicContact CB-CB 4.44Å; R48-D51 WeakPolarHBondContact CB-OD2 3.4Å; R48-D51 WeakPolarHBondContact CG-OD2 3.43Å; R48-D51 PolarHBondContact N-OD2 3.43Å; R48-D51 VanDerWaalsContact N-OD2 3.12Å; R48-D51 PolarHBondContact O-N 2.81Å
49L80.3Confident83Confident189 Ų18984.9 Ų84.999%0.9942%0.423SS*.THydrogen-bonded Turntrans-59-26.6178.3-160.670.8000113
50S79.3Confident82.9Confident119 Ų11980.4 Ų80.483%0.83241%0.409SS*.THydrogen-bonded Turntrans-86.3-14.3176.5-51.10000113.8R48R48-S50 PolarHBondContact O-N 3.18Å; R48-S50 VanDerWaalsContact O-N 3.11Å
51D81.1Confident82.6Confident58 Ų5878.7 Ų78.731%0.3141%0.405SS..SBendtrans-90.7155.2-175.8-62-29.6000110.5P47 R48 F55P47-D51 HydrophobicContact CB-CB 4.23Å; R48-D51 HydrophobicContact CB-CB 4.44Å; R48-D51 WeakPolarHBondContact CB-OD2 3.4Å; R48-D51 WeakPolarHBondContact CG-OD2 3.43Å; R48-D51 PolarHBondContact N-OD2 3.43Å; R48-D51 VanDerWaalsContact N-OD2 3.12Å; R48-D51 PolarHBondContact O-N 2.81Å; D51-F55 HydrophobicContact CB-CB 4.23Å
52N82.8Confident81.8Confident103 Ų10381.1 Ų81.155%0.55142%0.421SS*.  trans-70.2150.3173.4-168.5-16.3000110.1T54 F55N52-T54 PolarHBondContact O-N 3.12Å; N52-F55 HydrophobicContact CB-CD2 3.73Å; N52-F55 HydrophobicContact CB-CE2 3.93Å; N52-F55 WeakPolarHBondContact O-CB 3.33Å; N52-F55 PolarHBondContact O-N 2.93Å
53K82.6Confident80.6Confident182 Ų18280.3 Ų80.379%0.79142%0.424SS*.THydrogen-bonded Turntrans-57.7-21.4-177.5-69.1174-176.3160.20113.9F55 V56K53-F55 VanDerWaalsContact C-N 3.29Å; K53-V56 WeakPolarHBondContact O-CG1 3.25Å
54T79.5Confident79.8Confident66 Ų6681.2 Ų81.241%0.40542%0.422SS..THydrogen-bonded Turntrans-77.7-11.8178.153.70000113.5N52 V56 N71N52-T54 PolarHBondContact O-N 3.12Å; T54-V56 VanDerWaalsContact C-N 3.33Å; T54-V56 PolarHBondContact O-N 3.1Å; T54-V56 VanDerWaalsContact O-N 3.1Å; T54-N71 PolarHBondContact O-OD1 3.08Å
55F82.7Confident79Confident56 Ų5682.6 Ų82.625%0.24643%0.432CS..  trans-91.267.9-174.8-72.3-115000110.3C46 P47 D51 N52 K53 C69 C70C46-F55 WeakPolarHBondContact CB-O 3.35Å; P47-F55 WeakPolarHBondContact CA-O 3.41Å; P47-F55 WeakPolarHBondContact CB-O 3.47Å; D51-F55 HydrophobicContact CB-CB 4.23Å; N52-F55 HydrophobicContact CB-CD2 3.73Å; N52-F55 HydrophobicContact CB-CE2 3.93Å; N52-F55 WeakPolarHBondContact O-CB 3.33Å; N52-F55 PolarHBondContact O-N 2.93Å; K53-F55 VanDerWaalsContact C-N 3.29Å; F55-C69 HydrophobicContact CB-CB 4.15Å; F55-C69 WeakPolarHBondContact CD1-O 3.44Å; F55-C70 CarbonylContact C-O 3.52Å; F55-C70 WeakPolarHBondContact CA-O 3.36Å
56V83.6Confident78.7Confident40 Ų4080.4 Ų80.424%0.24242%0.421CS..  trans-97.2-4.1-172.2-59.30000113.8R28 K53 T54 C70R28-V56 WeakPolarHBondContact CA-O 3.44Å; R28-V56 WeakPolarHBondContact CG-O 3.23Å; K53-V56 WeakPolarHBondContact O-CG1 3.25Å; T54-V56 VanDerWaalsContact C-N 3.33Å; T54-V56 PolarHBondContact O-N 3.1Å; T54-V56 VanDerWaalsContact O-N 3.1Å; V56-C70 PolarHBondContact N-O 3.47Å
57L81.3Confident78.8Confident24 Ų2482.3 Ų82.313%0.12643%0.428CS..EExtended strand (participates in β ladder)trans-114.3147.9-173.1-66.9160.2000111.7F27 C69 C70 E72 F75F27-L57 HydrophobicContact CB-CD2 3.71Å; F27-L57 WeakPolarHBondContact O-CA 3.31Å; L57-C69 CarbonylContact O-C 3.53Å; L57-C69 VanDerWaalsContact O-CA 3.31Å; L57-C69 WeakPolarHBondContact O-CA 3.04Å; L57-C70 PolarHBondContact N-O 3.04Å; L57-C70 PolarHBondContact O-N 3.48Å; L57-C70 PolarHBondContact O-SG 3.31Å; L57-E72 HydrophobicContact CD1-CB 3.91Å; L57-E72 HydrophobicContact CD1-CG 4.12Å; L57-F75 HydrophobicContact CB-CB 4.38Å; L57-F75 HydrophobicContact CB-CD2 4.03Å; L57-F75 HydrophobicContact CB-CG 4.32Å; L57-F75 HydrophobicContact CD1-CB 3.83Å; L57-F75 HydrophobicContact CD1-CD1 4.37Å; L57-F75 HydrophobicContact CD1-CG 4Å
58C83.6Confident78.9Confident22 Ų2283.7 Ų83.715%0.14943%0.426CS..EExtended strand (participates in β ladder)trans-87.7117.4172.9-170.50000111.5F27 C30 F75F27-C58 PolarHBondContact O-N 3.32Å; C30-C58 WeakPolarHBondContact CA-SG 3.23Å; C30-C58 HydrophobicContact CB-CB 4.13Å; C30-C58 WeakPolarHBondContact CB-SG 3.36Å; C30-C58 WeakPolarHBondContact SG-CB 3.36Å; C30-C58 CovalentContact SG-SG 2.03Å; C30-C58 PolarHBondContact SG-SG 2.91Å; C58-F75 WeakPolarHBondContact O-CE2 2.99Å
59C82.6Confident79.1Confident1 Ų178.3 Ų78.31%0.00741%0.407CS..EExtended strand (participates in β ladder)trans-107152.7172.5-78.90000111.6K67 Y68 C70 F75C59-K67 CarbonylContact O-C 3.58Å; C59-K67 VanDerWaalsContact O-CA 3.25Å; C59-K67 WeakPolarHBondContact O-CA 3.34Å; C59-Y68 HydrophobicContact CB-CD1 4.43Å; C59-Y68 HydrophobicContact CB-CD2 4.39Å; C59-Y68 HydrophobicContact CB-CE1 4Å; C59-Y68 HydrophobicContact CB-CE2 3.95Å; C59-Y68 PolarHBondContact N-O 2.89Å; C59-Y68 PolarHBondContact O-N 3.29Å; C59-C70 HydrophobicContact CB-CB 3.66Å; C59-C70 WeakPolarHBondContact CB-SG 3.2Å; C59-C70 WeakPolarHBondContact SG-CB 3.43Å; C59-C70 CovalentContact SG-SG 2.01Å; C59-C70 PolarHBondContact SG-SG 3.29Å; C59-F75 WeakPolarHBondContact SG-CA 3.26Å
60H82.6Confident79.3Confident72 Ų7269.3 Ų69.333%0.33336%0.36SS..EExtended strand (participates in β ladder)trans-136144.7163.682.2-73.9000108.4K67 V78 M79H60-K67 HydrophobicContact CB-CG 4.2Å; H60-V78 WeakPolarHBondContact O-CG1 3.44Å; H60-M79 PolarHBondContact CE1-SD 3.42Å; H60-M79 PolarHBondContact ND1-SD 3.49Å
61H78.9Confident79.6Confident100 Ų10066.1 Ų66.146%0.46333%0.334SS..  trans-83.2138.3177.6-165.673.1000110.1N63 T64H61-N63 PolarHBondContact O-N 2.93Å; H61-T64 WeakPolarHBondContact CB-OG1 3.49Å; H61-T64 PolarHBondContact O-N 3.48Å
62N68.6Low79.4Confident111 Ų11169 Ų6959%0.59435%0.346SS*.THydrogen-bonded Turntrans-52.8-21.8-173.8-163.3-1.5000114.4Q80N62-Q80 PolarHBondContact ND2-OE1 2.96Å
63N59.1Low79Confident150 Ų15068.5 Ų68.580%0.80235%0.347SS*.THydrogen-bonded Turntrans-112.610-179.6-156.724.6000114.3H61H61-N63 PolarHBondContact O-N 2.93Å
64T67.5Low78.7Confident56 Ų5663.9 Ų63.934%0.34433%0.328SS..  trans-139.7141.5-179.569.30000111.6H61 F66H61-T64 WeakPolarHBondContact CB-OG1 3.49Å; H61-T64 PolarHBondContact O-N 3.48Å; T64-F66 PolarHBondContact O-N 2.84Å
65V70.9Confident78.4Confident58 Ų5861.6 Ų61.635%0.35231%0.312SS..SBendtrans-73.8-5.1174.3-163.20000112.1Y33 T34 K67Y33-V65 HydrophobicContact CD2-CG1 3.77Å; Y33-V65 VanDerWaalsContact CD2-O 3.25Å; Y33-V65 WeakPolarHBondContact CD2-O 3.25Å; Y33-V65 WeakPolarHBondContact CE2-O 3.5Å; Y33-V65 HydrophobicContact CG-CG1 4.4Å; T34-V65 WeakPolarHBondContact O-CG1 3.43Å; V65-K67 PolarHBondContact O-N 3.36Å
66F78.1Confident77.8Confident86 Ų8662.9 Ų62.938%0.37732%0.319SS..  trans-72.7120.3-178.3-67.6-68.2000112.3Y33 D35 T64Y33-F66 HydrophobicContact CE2-CD1 4.28Å; D35-F66 VanDerWaalsContact OD2-CZ 3.31Å; D35-F66 WeakPolarHBondContact OD2-CZ 3.4Å; T64-F66 PolarHBondContact O-N 2.84Å
67K85.7Confident77.2Confident51 Ų5164.6 Ų64.622%0.22234%0.338CS..EExtended strand (participates in β ladder)trans-95.9142.1172.2-53.8-176.5-174.2173.30110.8C30 E31 Y33 F44 C59 H60 V65C30-K67 HydrophobicContact CB-CB 4.35Å; C30-K67 HydrophobicContact CB-CD 4.29Å; E31-K67 PolarHBondContact O-NZ 2.88Å; Y33-K67 HydrophobicContact CD1-CB 4.26Å; Y33-K67 HydrophobicContact CD1-CD 3.71Å; Y33-K67 HydrophobicContact CD1-CG 3.81Å; Y33-K67 HydrophobicContact CE1-CB 3.82Å; Y33-K67 HydrophobicContact CE1-CD 4.15Å; Y33-K67 HydrophobicContact CE1-CG 3.85Å; Y33-K67 HydrophobicContact CG-CD 4.45Å; Y33-K67 HydrophobicContact CG-CG 4.48Å; Y33-K67 PolarHBondContact OH-N 2.79Å; F44-K67 HydrophobicContact CZ-CB 4.38Å; F44-K67 WeakPolarHBondContact CZ-O 3.48Å; C59-K67 CarbonylContact O-C 3.58Å; C59-K67 VanDerWaalsContact O-CA 3.25Å; C59-K67 WeakPolarHBondContact O-CA 3.34Å; H60-K67 HydrophobicContact CB-CG 4.2Å; V65-K67 PolarHBondContact O-N 3.36Å
68Y84.6Confident76.6Confident89 Ų8965 Ų6535%0.34934%0.341SS..EExtended strand (participates in β ladder)trans-147.5160.8178.863.6-81.8000111.5C59 C70C59-Y68 HydrophobicContact CB-CD1 4.43Å; C59-Y68 HydrophobicContact CB-CD2 4.39Å; C59-Y68 HydrophobicContact CB-CE1 4Å; C59-Y68 HydrophobicContact CB-CE2 3.95Å; C59-Y68 PolarHBondContact N-O 2.89Å; C59-Y68 PolarHBondContact O-N 3.29Å; Y68-C70 HydrophobicContact CD2-CB 4.4Å; Y68-C70 HydrophobicContact CE2-CB 4.02Å
69C86.4Confident75.9Confident11 Ų1167.4 Ų67.47%0.07435%0.351CS..EExtended strand (participates in β ladder)trans-78.7138.7174.8-59.70000110C46 F55 L57C46-C69 VanDerWaalsContact CA-SG 3.52Å; C46-C69 HydrophobicContact CB-CB 3.83Å; C46-C69 WeakPolarHBondContact CB-SG 3.42Å; C46-C69 WeakPolarHBondContact SG-CA 3.22Å; C46-C69 WeakPolarHBondContact SG-CB 3.35Å; C46-C69 CovalentContact SG-SG 2.04Å; C46-C69 PolarHBondContact SG-SG 2.83Å; F55-C69 HydrophobicContact CB-CB 4.15Å; F55-C69 WeakPolarHBondContact CD1-O 3.44Å; L57-C69 CarbonylContact O-C 3.53Å; L57-C69 VanDerWaalsContact O-CA 3.31Å; L57-C69 WeakPolarHBondContact O-CA 3.04Å
70C84.1Confident74.8Confident0 Ų074 Ų740%038%0.382CS..EExtended strand (participates in β ladder)trans-141.2163.7-177.260.80000111.3F55 V56 L57 C59 Y68 E74F55-C70 CarbonylContact C-O 3.52Å; F55-C70 WeakPolarHBondContact CA-O 3.36Å; V56-C70 PolarHBondContact N-O 3.47Å; L57-C70 PolarHBondContact N-O 3.04Å; L57-C70 PolarHBondContact O-N 3.48Å; L57-C70 PolarHBondContact O-SG 3.31Å; C59-C70 HydrophobicContact CB-CB 3.66Å; C59-C70 WeakPolarHBondContact CB-SG 3.2Å; C59-C70 WeakPolarHBondContact SG-CB 3.43Å; C59-C70 CovalentContact SG-SG 2.01Å; C59-C70 PolarHBondContact SG-SG 3.29Å; Y68-C70 HydrophobicContact CD2-CB 4.4Å; Y68-C70 HydrophobicContact CE2-CB 4.02Å; C70-E74 HydrophobicContact CB-CB 4.11Å
71N84.4Confident73.5Confident53 Ų5372 Ų7228%0.28338%0.378SS..  trans-81166171.5-168.415.3000111.1T54 T73 E74 F75T54-N71 PolarHBondContact O-OD1 3.08Å; N71-T73 VanDerWaalsContact C-N 3.32Å; N71-T73 PolarHBondContact O-N 2.94Å; N71-E74 PolarHBondContact O-N 3.44Å; N71-F75 WeakPolarHBondContact O-CB 3.42Å; N71-F75 PolarHBondContact O-N 2.95Å
72E78.3Confident71.8Confident119 Ų11972.9 Ų72.956%0.55639%0.385SS*.Hα-helixtrans-60.1-37.4-178.1-166.6159.8-175.100113.7L57 F75 Q76L57-E72 HydrophobicContact CD1-CB 3.91Å; L57-E72 HydrophobicContact CD1-CG 4.12Å; E72-F75 WeakPolarHBondContact O-CB 3.25Å; E72-F75 PolarHBondContact O-N 2.93Å; E72-Q76 WeakPolarHBondContact O-CG 3.43Å; E72-Q76 PolarHBondContact O-N 3.32Å
73T75Confident70.9Confident92 Ų9274.5 Ų74.556%0.56439%0.393SS*.Hα-helixtrans-67.4-38.5176.855.40000112.6N71 A77N71-T73 VanDerWaalsContact C-N 3.32Å; N71-T73 PolarHBondContact O-N 2.94Å; T73-A77 PolarHBondContact O-N 3.5Å
74E75.2Confident70.2Confident84 Ų8473.9 Ų73.939%0.39340%0.395SS..Hα-helixtrans-73.5-36.3176.7-68.9-173.5160.800111C70 N71 Q76 A77 V78C70-E74 HydrophobicContact CB-CB 4.11Å; N71-E74 PolarHBondContact O-N 3.44Å; E74-Q76 VanDerWaalsContact C-N 3.35Å; E74-Q76 PolarHBondContact O-N 2.9Å; E74-A77 PolarHBondContact O-N 3.48Å; E74-V78 VanDerWaalsContact O-CB 3.28Å; E74-V78 WeakPolarHBondContact O-CB 3.46Å; E74-V78 VanDerWaalsContact O-CG2 3.28Å; E74-V78 WeakPolarHBondContact O-CG2 3.48Å; E74-V78 PolarHBondContact O-N 2.9Å
75F73.4Confident69.1Low18 Ų1874.7 Ų74.78%0.07941%0.408CS..Hα-helixtrans-57.8-48.1174.1-177.1-96000111.5F27 L57 C58 C59 N71 E72 A77 V78 M79F27-F75 HydrophobicContact CD1-CE2 4.37Å; F27-F75 AromaticContact CD1-CZ 3.94Å; F27-F75 HydrophobicContact CD1-CZ 3.94Å; F27-F75 HydrophobicContact CE1-CZ 4.34Å; L57-F75 HydrophobicContact CB-CB 4.38Å; L57-F75 HydrophobicContact CB-CD2 4.03Å; L57-F75 HydrophobicContact CB-CG 4.32Å; L57-F75 HydrophobicContact CD1-CB 3.83Å; L57-F75 HydrophobicContact CD1-CD1 4.37Å; L57-F75 HydrophobicContact CD1-CG 4Å; C58-F75 WeakPolarHBondContact O-CE2 2.99Å; C59-F75 WeakPolarHBondContact SG-CA 3.26Å; N71-F75 WeakPolarHBondContact O-CB 3.42Å; N71-F75 PolarHBondContact O-N 2.95Å; E72-F75 WeakPolarHBondContact O-CB 3.25Å; E72-F75 PolarHBondContact O-N 2.93Å; F75-A77 VanDerWaalsContact C-N 3.31Å; F75-A77 PolarHBondContact O-N 3.2Å; F75-V78 PolarHBondContact O-N 3.45Å; F75-M79 HydrophobicContact CD2-CG 3.96Å; F75-M79 HydrophobicContact CE2-CB 4.37Å; F75-M79 HydrophobicContact CE2-CG 3.66Å; F75-M79 HydrophobicContact CZ-CB 4.41Å; F75-M79 HydrophobicContact CZ-CG 4.11Å; F75-M79 WeakPolarHBondContact O-CB 3.42Å; F75-M79 PolarHBondContact O-N 3.42Å
76Q70Confident67.7Low83 Ų8374.4 Ų74.439%0.38842%0.417SS..Hα-helixtrans-60.3-40.3176.9-71.8176.2-14.900112.5E72 E74 L83E72-Q76 WeakPolarHBondContact O-CG 3.43Å; E72-Q76 PolarHBondContact O-N 3.32Å; E74-Q76 VanDerWaalsContact C-N 3.35Å; E74-Q76 PolarHBondContact O-N 2.9Å; Q76-L83 HydrophobicContact CG-CD1 4.17Å
77A70.6Confident66.1Low77 Ų7775.5 Ų75.564%0.63643%0.432SS*.Hα-helixtrans-73.9-40-179.300000113.5T73 E74 F75T73-A77 PolarHBondContact O-N 3.5Å; E74-A77 PolarHBondContact O-N 3.48Å; F75-A77 VanDerWaalsContact C-N 3.31Å; F75-A77 PolarHBondContact O-N 3.2Å
78V69.6Low64.2Low32 Ų3280.8 Ų80.819%0.19446%0.458CS..Hα-helixtrans-89.5-39.4-169.81750000112.5H60 E74 F75 Q80H60-V78 WeakPolarHBondContact O-CG1 3.44Å; E74-V78 VanDerWaalsContact O-CB 3.28Å; E74-V78 WeakPolarHBondContact O-CB 3.46Å; E74-V78 VanDerWaalsContact O-CG2 3.28Å; E74-V78 WeakPolarHBondContact O-CG2 3.48Å; E74-V78 PolarHBondContact O-N 2.9Å; F75-V78 PolarHBondContact O-N 3.45Å; V78-Q80 PolarHBondContact O-N 3.44Å
79M67.8Low62.4Low73 Ų7380 Ų8036%0.3648%0.477SS..THydrogen-bonded Turntrans-78.23.5178.2-80.8-72.7-7200113.3H60 F75 A81H60-M79 PolarHBondContact CE1-SD 3.42Å; H60-M79 PolarHBondContact ND1-SD 3.49Å; F75-M79 HydrophobicContact CD2-CG 3.96Å; F75-M79 HydrophobicContact CE2-CB 4.37Å; F75-M79 HydrophobicContact CE2-CG 3.66Å; F75-M79 HydrophobicContact CZ-CB 4.41Å; F75-M79 HydrophobicContact CZ-CG 4.11Å; F75-M79 WeakPolarHBondContact O-CB 3.42Å; F75-M79 PolarHBondContact O-N 3.42Å; M79-A81 PolarHBondContact O-N 3.5Å
80Q59.5Low60.5Low140 Ų14086.5 Ų86.565%0.65450%0.501SS*.THydrogen-bonded Turntrans47.334.9-171.9-67.8-178.6-62.100112.4N62 V78 N82N62-Q80 PolarHBondContact ND2-OE1 2.96Å; V78-Q80 PolarHBondContact O-N 3.44Å; Q80-N82 PolarHBondContact O-N 3.3Å
81A54.7Low58.8Low30 Ų3092.7 Ų92.725%0.24853%0.532CS..  trans-77.974.617100000108M79 L83M79-A81 PolarHBondContact O-N 3.5Å; A81-L83 PolarHBondContact O-N 3.36Å
82N44Very low57.1Low117 Ų11798.4 Ų98.463%0.62656%0.556SS**  trans-61.787.6161.7-88.4-16.2000107.6Q80 T84 A85Q80-N82 PolarHBondContact O-N 3.3Å; N82-T84 PolarHBondContact O-N 3.42Å; N82-A85 HydrophobicContact CB-CB 3.87Å; N82-A85 PolarHBondContact O-N 3.19Å
83L50.1Low56.1Low145 Ų14598.1 Ų98.176%0.75956%0.559SS**THydrogen-bonded Turntrans-61.33.4169.7-86.3145.8000113Q76 A81Q76-L83 HydrophobicContact CG-CD1 4.17Å; A81-L83 PolarHBondContact O-N 3.36Å
84T44.3Very low55.2Low138 Ų13897 Ų9785%0.84755%0.549SS*.THydrogen-bonded Turntrans-108.2-3.8172.2-110000114.2N82N82-T84 PolarHBondContact O-N 3.42Å
85A45.1Very low54.5Low73 Ų7399.9 Ų99.960%0.60356%0.557SS**SBendtrans-121.571.7-179.200000111.8N82N82-A85 HydrophobicContact CB-CB 3.87Å; N82-A85 PolarHBondContact O-N 3.19Å
86G41.3Very low54.2Low52 Ų52104.7 Ų104.754%0.53659%0.588SS.*  trans86.5130.7160.500000115.6E88G86-E88 PolarHBondContact O-N 2.84Å
87P43.5Very low54.2Low108 Ų108103.4 Ų103.470%0.70159%0.592SS**THydrogen-bonded Turntrans-75.530.4177.535.6-36.2000113
88E46.7Very low54.3Low162 Ų162104.2 Ų104.276%0.75759%0.585SS**THydrogen-bonded Turntrans-102.4-11.6-165-65.7-68.615000113.5G86G86-E88 PolarHBondContact O-N 2.84Å
89G46.9Very low54.7Low74 Ų74105.8 Ų105.876%0.76359%0.592SS**SBendtrans-97.5-14-178.100000115.8
90Y46.9Very low55.2Low147 Ų147104 Ų10458%0.57659%0.593SS**SBendtrans-102.321-176.6-121.3-97.8000112.7F27F27-Y90 HydrophobicContact CE1-CE1 4.41Å; F27-Y90 HydrophobicContact CE1-CE2 4.48Å; F27-Y90 AromaticContact CE1-CZ 3.8Å; F27-Y90 WeakPolarHBondContact CE1-OH 3.43Å; F27-Y90 AromaticContact CE2-CE1 3.46Å; F27-Y90 HydrophobicContact CE2-CE1 3.46Å; F27-Y90 VanDerWaalsContact CE2-CE1 3.46Å; F27-Y90 AromaticContact CE2-CZ 3.55Å; F27-Y90 WeakPolarHBondContact CE2-OH 3.39Å; F27-Y90 HydrophobicContact CZ-CD1 4.47Å; F27-Y90 AromaticContact CZ-CE1 3.37Å; F27-Y90 HydrophobicContact CZ-CE1 3.37Å; F27-Y90 HydrophobicContact CZ-CE2 4.12Å; F27-Y90 AromaticContact CZ-CZ 3.17Å; F27-Y90 WeakPolarHBondContact CZ-OH 3.08Å
91M48.2Very low56.3Low130 Ų130102.4 Ų102.464%0.6459%0.592SS**  trans-102.6-0.1-175-72.8-77.2106.400113.5
92H48.6Very low57.4Low173 Ų173108.9 Ų108.980%0.80161%0.61SS**SBendtrans-99.5-4-176.2-150.165.3000116.1
93N57.2Low59.3Low113 Ų113108.4 Ų108.460%0.60461%0.607SS**SBendtrans-105111.8173.9-86.99.3000111.4Y95N93-Y95 PolarHBondContact O-N 3.4Å
94N56.7Low61.1Low68 Ų68109.5 Ų109.536%0.36460%0.602SS.*SBendtrans73.42.5163.2-54.4-33.5000118.4H26 T96 A97 L98H26-N94 PolarHBondContact NE2-ND2 2.87Å; N94-T96 VanDerWaalsContact C-N 3.32Å; N94-T96 PolarHBondContact O-N 3.42Å; N94-A97 PolarHBondContact O-N 2.92Å; N94-L98 WeakPolarHBondContact O-CB 3.26Å; N94-L98 PolarHBondContact O-N 3.02Å
95Y60Low63.1Low144 Ų144104.5 Ų104.557%0.56558%0.578SS**Hα-helixtrans-60.5-44.5174.2-170.7-109.5000111.4N93 L98 L99N93-Y95 PolarHBondContact O-N 3.4Å; Y95-L98 PolarHBondContact O-N 3.42Å; Y95-L99 HydrophobicContact CD1-CD1 3.7Å; Y95-L99 HydrophobicContact CD1-CG 4.26Å; Y95-L99 HydrophobicContact CE1-CD1 3.36Å; Y95-L99 HydrophobicContact CE1-CG 4.03Å; Y95-L99 WeakPolarHBondContact O-CB 2.85Å; Y95-L99 VanDerWaalsContact O-CG 3.23Å; Y95-L99 WeakPolarHBondContact O-CG 3.07Å; Y95-L99 PolarHBondContact O-N 3.46Å
96T67.3Low64.9Low119 Ų119107.1 Ų107.173%0.7358%0.576SS**Hα-helixtrans-66.9-39.5177.6-28.80000112.6N94 G100N94-T96 VanDerWaalsContact C-N 3.32Å; N94-T96 PolarHBondContact O-N 3.42Å; T96-G100 PolarHBondContact O-N 3.45Å
97A69.4Low67Low56 Ų56110.7 Ų110.746%0.46358%0.577SS.*Hα-helixtrans-69.1-41.3177.300000111.6N94 G100 V101N94-A97 PolarHBondContact O-N 2.92Å; A97-G100 PolarHBondContact O-N 3.18Å; A97-V101 WeakPolarHBondContact O-CG2 3.32Å; A97-V101 PolarHBondContact O-N 3.36Å
98L72.3Confident69.3Low94 Ų94108 Ų10849%0.49256%0.559SS.*Hα-helixtrans-63.8-43.7175.3-174.770.9000110.8N94 Y95 G100 V101 W102N94-L98 WeakPolarHBondContact O-CB 3.26Å; N94-L98 PolarHBondContact O-N 3.02Å; Y95-L98 PolarHBondContact O-N 3.42Å; L98-G100 VanDerWaalsContact C-N 3.33Å; L98-G100 PolarHBondContact O-N 3.49Å; L98-V101 PolarHBondContact O-N 3.12Å; L98-W102 VanDerWaalsContact O-CB 3.25Å; L98-W102 WeakPolarHBondContact O-CB 3.47Å; L98-W102 PolarHBondContact O-N 2.93Å
99L77.3Confident71.2Confident65 Ų65105 Ų10534%0.3455%0.548SS..Hα-helixtrans-60.5-42.9172.4-75.9-179.6000111.3Y95 W102 I103Y95-L99 HydrophobicContact CD1-CD1 3.7Å; Y95-L99 HydrophobicContact CD1-CG 4.26Å; Y95-L99 HydrophobicContact CE1-CD1 3.36Å; Y95-L99 HydrophobicContact CE1-CG 4.03Å; Y95-L99 WeakPolarHBondContact O-CB 2.85Å; Y95-L99 VanDerWaalsContact O-CG 3.23Å; Y95-L99 WeakPolarHBondContact O-CG 3.07Å; Y95-L99 PolarHBondContact O-N 3.46Å; L99-W102 PolarHBondContact O-N 3.38Å; L99-I103 WeakPolarHBondContact O-CB 3.25Å; L99-I103 WeakPolarHBondContact O-CD1 3.4Å; L99-I103 WeakPolarHBondContact O-CG1 3.44Å; L99-I103 PolarHBondContact O-N 2.88Å
100G79.4Confident73Confident37 Ų37103.8 Ų103.838%0.38153%0.525SS..Hα-helixtrans-60.1-49.1175.900000112.7T96 A97 L98 W102 I103 Y104T96-G100 PolarHBondContact O-N 3.45Å; A97-G100 PolarHBondContact O-N 3.18Å; L98-G100 VanDerWaalsContact C-N 3.33Å; L98-G100 PolarHBondContact O-N 3.49Å; G100-W102 VanDerWaalsContact C-N 3.29Å; G100-W102 PolarHBondContact O-N 2.77Å; G100-I103 PolarHBondContact O-N 2.91Å; G100-Y104 VanDerWaalsContact O-CB 3.26Å; G100-Y104 WeakPolarHBondContact O-CB 3.36Å; G100-Y104 PolarHBondContact O-N 3.11Å
101V81.5Confident75.1Confident106 Ų106101 Ų10164%0.64252%0.52SS*.Hα-helixtrans-62-38.8176.31740000110.9A97 L98 G105A97-V101 WeakPolarHBondContact O-CG2 3.32Å; A97-V101 PolarHBondContact O-N 3.36Å; L98-V101 PolarHBondContact O-N 3.12Å; V101-G105 WeakPolarHBondContact O-CA 3.19Å; V101-G105 PolarHBondContact O-N 2.04Å
102W79.8Confident77.2Confident165 Ų165100.1 Ų100.163%0.62552%0.517SS*.Hα-helixtrans-67.8-47.7179.1-16776.8000112.2L98 L99 G100 G105 F106L98-W102 VanDerWaalsContact O-CB 3.25Å; L98-W102 WeakPolarHBondContact O-CB 3.47Å; L98-W102 PolarHBondContact O-N 2.93Å; L99-W102 PolarHBondContact O-N 3.38Å; G100-W102 VanDerWaalsContact C-N 3.29Å; G100-W102 PolarHBondContact O-N 2.77Å; W102-G105 PolarHBondContact O-N 3.09Å; W102-F106 VanDerWaalsContact O-CB 3.25Å; W102-F106 WeakPolarHBondContact O-CB 3.42Å; W102-F106 PolarHBondContact O-N 2.93Å
103I83.9Confident78.8Confident108 Ų10895.1 Ų95.155%0.55450%0.498SS*.Hα-helixtrans-63-46.7178.1-67.5164000110.3L99 G100 F106 F107L99-I103 WeakPolarHBondContact O-CB 3.25Å; L99-I103 WeakPolarHBondContact O-CD1 3.4Å; L99-I103 WeakPolarHBondContact O-CG1 3.44Å; L99-I103 PolarHBondContact O-N 2.88Å; G100-I103 PolarHBondContact O-N 2.91Å; I103-F106 PolarHBondContact O-N 3.22Å; I103-F107 PolarHBondContact O-N 2.85Å
104Y86.7Confident80.3Confident167 Ų16794.5 Ų94.566%0.65550%0.495SS*.Hα-helixtrans-65.1-46.7178.9-178.2-98.1000111.9G100 F106 F107 V108G100-Y104 VanDerWaalsContact O-CB 3.26Å; G100-Y104 WeakPolarHBondContact O-CB 3.36Å; G100-Y104 PolarHBondContact O-N 3.11Å; Y104-F106 VanDerWaalsContact C-N 3.33Å; Y104-F106 PolarHBondContact O-N 3.34Å; Y104-F107 WeakPolarHBondContact O-CB 3.32Å; Y104-F107 PolarHBondContact O-N 2.96Å; Y104-V108 HydrophobicContact CD1-CG2 4.15Å; Y104-V108 HydrophobicContact CE1-CG2 3.72Å; Y104-V108 HydrophobicContact CE2-CG2 4.33Å; Y104-V108 WeakPolarHBondContact O-CG2 3.06Å; Y104-V108 PolarHBondContact O-N 3.45Å
105G86Confident81.8Confident34 Ų3496.4 Ų96.435%0.35151%0.505SS..Hα-helixtrans-60.8-41.2177.300000112.4V101 W102 F107 V108 L109V101-G105 WeakPolarHBondContact O-CA 3.19Å; V101-G105 PolarHBondContact O-N 2.04Å; W102-G105 PolarHBondContact O-N 3.09Å; G105-F107 VanDerWaalsContact C-N 3.34Å; G105-F107 PolarHBondContact O-N 3.26Å; G105-V108 PolarHBondContact O-N 2.89Å; G105-L109 WeakPolarHBondContact O-CB 3.31Å; G105-L109 PolarHBondContact O-N 3.31Å
106F82.8Confident82.8Confident127 Ų12795.1 Ų95.156%0.55751%0.507SS*.Hα-helixtrans-62.8-41.2174.9-178.2-98.2000112W102 I103 Y104 L109 T110W102-F106 VanDerWaalsContact O-CB 3.25Å; W102-F106 WeakPolarHBondContact O-CB 3.42Å; W102-F106 PolarHBondContact O-N 2.93Å; I103-F106 PolarHBondContact O-N 3.22Å; Y104-F106 VanDerWaalsContact C-N 3.33Å; Y104-F106 PolarHBondContact O-N 3.34Å; F106-L109 PolarHBondContact O-N 3.19Å; F106-T110 WeakPolarHBondContact O-CB 3.49Å; F106-T110 PolarHBondContact O-N 2.97Å; F106-T110 PolarHBondContact O-OG1 3.35Å
107F86.1Confident83.5Confident127 Ų12794.2 Ų94.256%0.55750%0.497SS*.Hα-helixtrans-64.7-46.5177.3-171.3-106.6000111.9I103 Y104 G105 L109 T110 L111I103-F107 PolarHBondContact O-N 2.85Å; Y104-F107 WeakPolarHBondContact O-CB 3.32Å; Y104-F107 PolarHBondContact O-N 2.96Å; G105-F107 VanDerWaalsContact C-N 3.34Å; G105-F107 PolarHBondContact O-N 3.26Å; F107-L109 VanDerWaalsContact C-N 3.35Å; F107-L109 PolarHBondContact O-N 3.49Å; F107-T110 WeakPolarHBondContact O-CB 3.48Å; F107-T110 PolarHBondContact O-N 3.45Å; F107-L111 HydrophobicContact CD1-CD1 3.81Å; F107-L111 HydrophobicContact CD1-CG 4.33Å; F107-L111 HydrophobicContact CE1-CD1 3.44Å; F107-L111 VanDerWaalsContact CE1-CD1 3.44Å; F107-L111 HydrophobicContact CE1-CG 4.07Å; F107-L111 HydrophobicContact CZ-CD1 4.05Å; F107-L111 HydrophobicContact CZ-CD2 4.35Å; F107-L111 HydrophobicContact CZ-CG 4.29Å; F107-L111 WeakPolarHBondContact O-CG 3.36Å; F107-L111 PolarHBondContact O-N 2.83Å
108V90.9Very high84.2Confident52 Ų5299.4 Ų99.432%0.31551%0.506SS..Hα-helixtrans-61.2-42.8176.1173.80000111.4Y104 G105 T110 L111 L112Y104-V108 HydrophobicContact CD1-CG2 4.15Å; Y104-V108 HydrophobicContact CE1-CG2 3.72Å; Y104-V108 HydrophobicContact CE2-CG2 4.33Å; Y104-V108 WeakPolarHBondContact O-CG2 3.06Å; Y104-V108 PolarHBondContact O-N 3.45Å; G105-V108 PolarHBondContact O-N 2.89Å; V108-T110 VanDerWaalsContact C-N 3.33Å; V108-T110 PolarHBondContact O-N 3.13Å; V108-L111 PolarHBondContact O-N 3.36Å; V108-L112 HydrophobicContact CG1-CD1 4.21Å; V108-L112 PolarHBondContact O-N 3.43Å
109L88.1Confident84.7Confident100 Ų100101 Ų10152%0.52451%0.507SS..Hα-helixtrans-62.1-43176-170.5154.5000111.1G105 F106 F107 L112 V113G105-L109 WeakPolarHBondContact O-CB 3.31Å; G105-L109 PolarHBondContact O-N 3.31Å; F106-L109 PolarHBondContact O-N 3.19Å; F107-L109 VanDerWaalsContact C-N 3.35Å; F107-L109 PolarHBondContact O-N 3.49Å; L109-L112 PolarHBondContact O-N 3.45Å; L109-V113 HydrophobicContact CD2-CG2 3.99Å; L109-V113 WeakPolarHBondContact O-CG2 3.04Å; L109-V113 PolarHBondContact O-N 2.94Å
110T85Confident84.5Confident48 Ų4899.1 Ų99.129%0.29450%0.498SS..Hα-helixtrans-61.5-45.6176.9-57.50000111F106 F107 V108 L112 V113 L114F106-T110 WeakPolarHBondContact O-CB 3.49Å; F106-T110 PolarHBondContact O-N 2.97Å; F106-T110 PolarHBondContact O-OG1 3.35Å; F107-T110 WeakPolarHBondContact O-CB 3.48Å; F107-T110 PolarHBondContact O-N 3.45Å; V108-T110 VanDerWaalsContact C-N 3.33Å; V108-T110 PolarHBondContact O-N 3.13Å; T110-L112 PolarHBondContact O-N 3.33Å; T110-V113 PolarHBondContact O-N 2.87Å; T110-L114 HydrophobicContact CG2-CD1 4.14Å; T110-L114 WeakPolarHBondContact O-CB 3.37Å; T110-L114 WeakPolarHBondContact O-CG 2.96Å; T110-L114 PolarHBondContact O-N 3.04Å
111L90.9Very high84.5Confident87 Ų87100.9 Ų100.946%0.45551%0.509SS..Hα-helixtrans-61.7-42.3176-71178.2000112.3F107 V108 V113 L114 D115F107-L111 HydrophobicContact CD1-CD1 3.81Å; F107-L111 HydrophobicContact CD1-CG 4.33Å; F107-L111 HydrophobicContact CE1-CD1 3.44Å; F107-L111 VanDerWaalsContact CE1-CD1 3.44Å; F107-L111 HydrophobicContact CE1-CG 4.07Å; F107-L111 HydrophobicContact CZ-CD1 4.05Å; F107-L111 HydrophobicContact CZ-CD2 4.35Å; F107-L111 HydrophobicContact CZ-CG 4.29Å; F107-L111 WeakPolarHBondContact O-CG 3.36Å; F107-L111 PolarHBondContact O-N 2.83Å; V108-L111 PolarHBondContact O-N 3.36Å; L111-V113 PolarHBondContact O-N 3.34Å; L111-L114 PolarHBondContact O-N 2.78Å; L111-D115 WeakPolarHBondContact O-CB 3.03Å; L111-D115 PolarHBondContact O-N 3.22Å
112L90.5Very high84.4Confident113 Ų113102.5 Ų102.559%0.59251%0.512SS*.Hα-helixtrans-62.3-41.4175.5-85.2167.3000112.4V108 L109 T110 D115 L116V108-L112 HydrophobicContact CG1-CD1 4.21Å; V108-L112 PolarHBondContact O-N 3.43Å; L109-L112 PolarHBondContact O-N 3.45Å; T110-L112 PolarHBondContact O-N 3.33Å; L112-D115 PolarHBondContact O-N 3.33Å; L112-L116 WeakPolarHBondContact O-CB 3.31Å; L112-L116 PolarHBondContact O-N 3.49Å
113V83.9Confident84.4Confident67 Ų6797.3 Ų97.341%0.40650%0.496SS..Hα-helixtrans-65.9-42.9176170.80000110.6L109 T110 L111 L116 L117L109-V113 HydrophobicContact CD2-CG2 3.99Å; L109-V113 WeakPolarHBondContact O-CG2 3.04Å; L109-V113 PolarHBondContact O-N 2.94Å; T110-V113 PolarHBondContact O-N 2.87Å; L111-V113 PolarHBondContact O-N 3.34Å; V113-L116 PolarHBondContact O-N 2.85Å; V113-L117 HydrophobicContact CG1-CD1 3.79Å; V113-L117 HydrophobicContact CG1-CG 4.23Å; V113-L117 VanDerWaalsContact O-CB 3.29Å; V113-L117 WeakPolarHBondContact O-CB 3.41Å; V113-L117 WeakPolarHBondContact O-CG 3.36Å; V113-L117 PolarHBondContact O-N 3.37Å
114L87.3Confident83.6Confident100 Ų10096.1 Ų96.152%0.52449%0.485SS..Hα-helixtrans-62.9-42.3176.6-74172.2000111.9T110 L111 L117 Y118T110-L114 HydrophobicContact CG2-CD1 4.14Å; T110-L114 WeakPolarHBondContact O-CB 3.37Å; T110-L114 WeakPolarHBondContact O-CG 2.96Å; T110-L114 PolarHBondContact O-N 3.04Å; L111-L114 PolarHBondContact O-N 2.78Å; L114-L117 PolarHBondContact O-N 3.44Å; L114-Y118 VanDerWaalsContact O-CB 3.22Å; L114-Y118 WeakPolarHBondContact O-CB 3.22Å; L114-Y118 PolarHBondContact O-N 2.77Å
115D88.6Confident82.7Confident108 Ų10894.2 Ų94.258%0.57849%0.486SS*.Hα-helixtrans-63.1-46.6176.2-173.474.3000111.3L111 L112 L117 Y118 Y119L111-D115 WeakPolarHBondContact O-CB 3.03Å; L111-D115 PolarHBondContact O-N 3.22Å; L112-D115 PolarHBondContact O-N 3.33Å; D115-L117 VanDerWaalsContact C-N 3.34Å; D115-L117 PolarHBondContact O-N 2.9Å; D115-Y118 PolarHBondContact O-N 3.29Å; D115-Y119 VanDerWaalsContact O-CB 3.31Å; D115-Y119 WeakPolarHBondContact O-CB 3.25Å; D115-Y119 PolarHBondContact O-N 2.86Å
116L81.9Confident81.8Confident118 Ų11896.1 Ų96.162%0.61849%0.488SS*.Hα-helixtrans-61.5-42.7175.4-175.467.9000111.7L112 V113 S120L112-L116 WeakPolarHBondContact O-CB 3.31Å; L112-L116 PolarHBondContact O-N 3.49Å; V113-L116 PolarHBondContact O-N 2.85Å; L116-S120 VanDerWaalsContact O-CB 3.23Å; L116-S120 WeakPolarHBondContact O-CB 3.34Å; L116-S120 PolarHBondContact O-N 2.97Å; L116-S120 PolarHBondContact O-OG 3Å
117L80.9Confident81.1Confident100 Ų10091.8 Ų91.852%0.52447%0.473SS..Hα-helixtrans-65-44.2177.1-76.4172.8000111.2V113 L114 D115 S120 A121V113-L117 HydrophobicContact CG1-CD1 3.79Å; V113-L117 HydrophobicContact CG1-CG 4.23Å; V113-L117 VanDerWaalsContact O-CB 3.29Å; V113-L117 WeakPolarHBondContact O-CB 3.41Å; V113-L117 WeakPolarHBondContact O-CG 3.36Å; V113-L117 PolarHBondContact O-N 3.37Å; L114-L117 PolarHBondContact O-N 3.44Å; D115-L117 VanDerWaalsContact C-N 3.34Å; D115-L117 PolarHBondContact O-N 2.9Å; L117-S120 WeakPolarHBondContact CA-OG 3.47Å; L117-S120 CarbonylContact O-C 3.53Å; L117-S120 PolarHBondContact O-N 3.3Å; L117-S120 PolarHBondContact O-OG 2.86Å; L117-A121 WeakPolarHBondContact O-CB 3Å; L117-A121 PolarHBondContact O-N 3.44Å
118Y85.3Confident80.3Confident165 Ų16589.8 Ų89.865%0.64746%0.464SS*.Hα-helixtrans-62.1-48.3177.4-179.9-100.5000111.3L114 D115 S120 A121 M122L114-Y118 VanDerWaalsContact O-CB 3.22Å; L114-Y118 WeakPolarHBondContact O-CB 3.22Å; L114-Y118 PolarHBondContact O-N 2.77Å; D115-Y118 PolarHBondContact O-N 3.29Å; Y118-S120 VanDerWaalsContact C-N 3.28Å; Y118-S120 PolarHBondContact O-N 3.1Å; Y118-A121 PolarHBondContact O-N 2.86Å; Y118-M122 PolarHBondContact O-N 3.34Å
119Y81.5Confident79.2Confident128 Ų12891.7 Ų91.750%0.50248%0.475SS..Hα-helixtrans-58.5-41.7173.9-177.5-97.1000111.6D115 M122 N123D115-Y119 VanDerWaalsContact O-CB 3.31Å; D115-Y119 WeakPolarHBondContact O-CB 3.25Å; D115-Y119 PolarHBondContact O-N 2.86Å; Y119-M122 PolarHBondContact O-N 2.84Å; Y119-N123 HydrophobicContact CE1-CB 4.48Å; Y119-N123 VanDerWaalsContact CE2-ND2 3.29Å; Y119-N123 WeakPolarHBondContact CE2-ND2 3.23Å; Y119-N123 WeakPolarHBondContact O-CB 3.5Å; Y119-N123 PolarHBondContact O-N 3.47Å
120S74.4Confident78.3Confident24 Ų2493.9 Ų93.917%0.16848%0.478CS..Hα-helixtrans-69.8-31.3177.978.40000113.6L116 L117 Y118 N123 Y124L116-S120 VanDerWaalsContact O-CB 3.23Å; L116-S120 WeakPolarHBondContact O-CB 3.34Å; L116-S120 PolarHBondContact O-N 2.97Å; L116-S120 PolarHBondContact O-OG 3Å; L117-S120 WeakPolarHBondContact CA-OG 3.47Å; L117-S120 CarbonylContact O-C 3.53Å; L117-S120 PolarHBondContact O-N 3.3Å; L117-S120 PolarHBondContact O-OG 2.86Å; Y118-S120 VanDerWaalsContact C-N 3.28Å; Y118-S120 PolarHBondContact O-N 3.1Å; S120-N123 CarbonylContact O-C 3.42Å; S120-Y124 WeakPolarHBondContact O-CA 3.04Å; S120-Y124 PolarHBondContact O-N 3.31Å
121A78Confident77.6Confident74 Ų7494.3 Ų94.361%0.61248%0.478SS*.Hα-helixtrans-71.7-40.7175.300000110.6L117 Y118L117-A121 WeakPolarHBondContact O-CB 3Å; L117-A121 PolarHBondContact O-N 3.44Å; Y118-A121 PolarHBondContact O-N 2.86Å
122M79.2Confident76.4Confident141 Ų14193.2 Ų93.270%0.69548%0.475SS*.Hα-helixtrans-70.9-35.2177.1-161.466.1-177.400112.3Y118 Y119Y118-M122 PolarHBondContact O-N 3.34Å; Y119-M122 PolarHBondContact O-N 2.84Å
123N80.4Confident75.5Confident55 Ų5597.9 Ų97.929%0.29449%0.485SS..THydrogen-bonded Turntrans-118.950.4-178.5-65.1-61.8000112Y119 S120 D125 I126 C127Y119-N123 HydrophobicContact CE1-CB 4.48Å; Y119-N123 VanDerWaalsContact CE2-ND2 3.29Å; Y119-N123 WeakPolarHBondContact CE2-ND2 3.23Å; Y119-N123 WeakPolarHBondContact O-CB 3.5Å; Y119-N123 PolarHBondContact O-N 3.47Å; S120-N123 CarbonylContact O-C 3.42Å; N123-D125 VanDerWaalsContact C-N 3.26Å; N123-D125 PolarHBondContact O-N 3.39Å; N123-I126 HydrophobicContact CB-CB 4.26Å; N123-I126 HydrophobicContact CB-CD1 4.23Å; N123-I126 HydrophobicContact CB-CG1 4.48Å; N123-I126 PolarHBondContact O-N 2.82Å; N123-I126 VanDerWaalsContact O-N 3.1Å; N123-C127 PolarHBondContact O-N 3.35Å
124Y67.9Low74.7Confident84 Ų84104.7 Ų104.733%0.32950%0.503SS..Hα-helixtrans-54.6-38.8-174.2-173.6-96.2000113.5S120 I126 C127 K128 W140S120-Y124 WeakPolarHBondContact O-CA 3.04Å; S120-Y124 PolarHBondContact O-N 3.31Å; Y124-I126 PolarHBondContact O-N 2.03Å; Y124-C127 PolarHBondContact O-N 3.31Å; Y124-K128 WeakPolarHBondContact O-CB 3.48Å; Y124-K128 PolarHBondContact O-N 3.41Å; Y124-W140 HydrophobicContact CE2-CH2 4.35Å; Y124-W140 HydrophobicContact CE2-CZ3 4.33Å
125D67Low73.5Confident126 Ų126102.8 Ų102.867%0.67451%0.508SS*.Hα-helixtrans-65.7-40.2-180-66.2-42.6000112.6N123 K128 V129N123-D125 VanDerWaalsContact C-N 3.26Å; N123-D125 PolarHBondContact O-N 3.39Å; D125-K128 PolarHBondContact O-N 2.87Å; D125-V129 WeakPolarHBondContact O-CG2 3.25Å; D125-V129 PolarHBondContact O-N 2.81Å
126I67.4Low72.3Confident74 Ų74101.7 Ų101.738%0.37950%0.501SS..Hα-helixtrans-69.2-43.6177.9-61.9-179.8000109.7N123 Y124 K128 V129 Y130N123-I126 HydrophobicContact CB-CB 4.26Å; N123-I126 HydrophobicContact CB-CD1 4.23Å; N123-I126 HydrophobicContact CB-CG1 4.48Å; N123-I126 PolarHBondContact O-N 2.82Å; N123-I126 VanDerWaalsContact O-N 3.1Å; Y124-I126 PolarHBondContact O-N 2.03Å; I126-K128 VanDerWaalsContact C-N 3.31Å; I126-K128 PolarHBondContact O-N 2.96Å; I126-V129 PolarHBondContact O-N 3.49Å; I126-V129 VanDerWaalsContact O-N 3.16Å; I126-Y130 HydrophobicContact CG2-CD2 3.65Å; I126-Y130 HydrophobicContact CG2-CE2 3.33Å; I126-Y130 WeakPolarHBondContact O-CD2 3.4Å; I126-Y130 PolarHBondContact O-N 3.18Å
127C68.7Low71.2Confident36 Ų36104 Ų10424%0.24351%0.509CS..Hα-helixtrans-60.1-40.8176.2-172.60000112N123 Y124 V129 Y130 L131N123-C127 PolarHBondContact O-N 3.35Å; Y124-C127 PolarHBondContact O-N 3.31Å; C127-V129 VanDerWaalsContact C-N 3.32Å; C127-V129 PolarHBondContact O-N 3Å; C127-Y130 PolarHBondContact O-N 3.32Å; C127-L131 WeakPolarHBondContact O-CB 2.85Å; C127-L131 VanDerWaalsContact O-CG 3.3Å; C127-L131 WeakPolarHBondContact O-CG 3.19Å; C127-L131 PolarHBondContact O-N 2.01Å; C127-L131 VanDerWaalsContact SG-CD1 3.58Å
128K67.7Low70.2Confident85 Ų85100.9 Ų100.937%0.3750%0.501SS..Hα-helixtrans-60.5-39.1175.4-171.6178.8179.8177.90112.3Y124 D125 I126 T132 M141Y124-K128 WeakPolarHBondContact O-CB 3.48Å; Y124-K128 PolarHBondContact O-N 3.41Å; D125-K128 PolarHBondContact O-N 2.87Å; I126-K128 VanDerWaalsContact C-N 3.31Å; I126-K128 PolarHBondContact O-N 2.96Å; K128-T132 WeakPolarHBondContact O-CB 3.42Å; K128-T132 WeakPolarHBondContact O-CG2 3.38Å; K128-T132 PolarHBondContact O-N 3.31Å; K128-T132 PolarHBondContact O-OG1 3.11Å; K128-M141 HydrophobicContact CG-CE 4.32Å; K128-M141 HydrophobicContact CG-SD 4.34Å
129V68.8Low68.7Low92 Ų92104.5 Ų104.556%0.55851%0.514SS*.Hα-helixtrans-67.6-42.6176174.90000111.4D125 I126 C127 T132 R133D125-V129 WeakPolarHBondContact O-CG2 3.25Å; D125-V129 PolarHBondContact O-N 2.81Å; I126-V129 PolarHBondContact O-N 3.49Å; I126-V129 VanDerWaalsContact O-N 3.16Å; C127-V129 VanDerWaalsContact C-N 3.32Å; C127-V129 PolarHBondContact O-N 3Å; V129-T132 WeakPolarHBondContact CA-OG1 3.28Å; V129-T132 PolarHBondContact O-OG1 2.88Å; V129-R133 WeakPolarHBondContact O-CB 3.14Å; V129-R133 PolarHBondContact O-N 3.2Å
130Y69.3Low67.6Low147 Ų147108 Ų10858%0.57653%0.526SS*.Hα-helixtrans-67.5-41.6177.4-75.8-67.2000112.7I126 C127 R133 W134I126-Y130 HydrophobicContact CG2-CD2 3.65Å; I126-Y130 HydrophobicContact CG2-CE2 3.33Å; I126-Y130 WeakPolarHBondContact O-CD2 3.4Å; I126-Y130 PolarHBondContact O-N 3.18Å; C127-Y130 PolarHBondContact O-N 3.32Å; Y130-R133 PolarHBondContact O-N 3.39Å; Y130-W134 PolarHBondContact O-N 3.28Å
131L69.4Low66.8Low57 Ų57108.5 Ų108.530%0.29853%0.526SS..Hα-helixtrans-66.5-37177.5-75.5171.8000112.7C127 W134 G135 I136 M141C127-L131 WeakPolarHBondContact O-CB 2.85Å; C127-L131 VanDerWaalsContact O-CG 3.3Å; C127-L131 WeakPolarHBondContact O-CG 3.19Å; C127-L131 PolarHBondContact O-N 2.01Å; C127-L131 VanDerWaalsContact SG-CD1 3.58Å; L131-W134 PolarHBondContact O-N 3.07Å; L131-G135 PolarHBondContact O-N 2.83Å; L131-I136 HydrophobicContact CD2-CD1 4.46Å; L131-I136 PolarHBondContact O-N 3.39Å; L131-I136 VanDerWaalsContact O-N 3.12Å; L131-M141 HydrophobicContact CB-CE 3.53Å; L131-M141 HydrophobicContact CD1-CE 3.45Å; L131-M141 VanDerWaalsContact CD1-CE 3.45Å; L131-M141 HydrophobicContact CG-CE 4.14Å
132T67.4Low65.8Low64 Ų64113.7 Ų113.739%0.39354%0.535SS..Hα-helixtrans-68.4-37.1173.550.90000111.5K128 V129 W134 G135 M141K128-T132 WeakPolarHBondContact O-CB 3.42Å; K128-T132 WeakPolarHBondContact O-CG2 3.38Å; K128-T132 PolarHBondContact O-N 3.31Å; K128-T132 PolarHBondContact O-OG1 3.11Å; V129-T132 WeakPolarHBondContact CA-OG1 3.28Å; V129-T132 PolarHBondContact O-OG1 2.88Å; T132-W134 VanDerWaalsContact C-N 3.34Å; T132-W134 PolarHBondContact O-N 3.47Å; T132-G135 PolarHBondContact O-N 3.47Å; T132-G135 VanDerWaalsContact O-N 3.14Å; T132-M141 HydrophobicContact CG2-SD 4.36Å
133R70.9Confident64.4Low210 Ų210114.2 Ų114.279%0.79254%0.536SS*.Hα-helixtrans-67.4-30.2174.6-169.7171.2-178166.80.5113.4V129 Y130 G135V129-R133 WeakPolarHBondContact O-CB 3.14Å; V129-R133 PolarHBondContact O-N 3.2Å; Y130-R133 PolarHBondContact O-N 3.39Å; R133-G135 VanDerWaalsContact C-N 3.25Å; R133-G135 PolarHBondContact O-N 3.22Å
134W66.3Low62.9Low210 Ų210118.4 Ų118.480%0.79556%0.558SS**THydrogen-bonded Turntrans-82.55.8172.4-85.519.1000114Y130 L131 T132 I136Y130-W134 PolarHBondContact O-N 3.28Å; L131-W134 PolarHBondContact O-N 3.07Å; T132-W134 VanDerWaalsContact C-N 3.34Å; T132-W134 PolarHBondContact O-N 3.47Å; W134-I136 PolarHBondContact O-N 3.02Å
135G62.2Low61.9Low61 Ų61120.3 Ų120.363%0.62958%0.581SS**THydrogen-bonded Turntrans73.210.317500000114.7L131 T132 R133 Q137L131-G135 PolarHBondContact O-N 2.83Å; T132-G135 PolarHBondContact O-N 3.47Å; T132-G135 VanDerWaalsContact O-N 3.14Å; R133-G135 VanDerWaalsContact C-N 3.25Å; R133-G135 PolarHBondContact O-N 3.22Å; G135-Q137 VanDerWaalsContact C-N 3.29Å; G135-Q137 PolarHBondContact O-N 3.06Å; G135-Q137 VanDerWaalsContact O-N 3.1Å
136I63.1Low61.1Low84 Ų84125.8 Ų125.843%0.43159%0.592SS.*  trans-88.272177.7-52.6178000108.2L131 W134 G138L131-I136 HydrophobicContact CD2-CD1 4.46Å; L131-I136 PolarHBondContact O-N 3.39Å; L131-I136 VanDerWaalsContact O-N 3.12Å; W134-I136 PolarHBondContact O-N 3.02Å; I136-G138 PolarHBondContact O-N 2.89Å; I136-G138 VanDerWaalsContact O-N 3.08Å
137Q60.2Low60.2Low167 Ų167133.6 Ų133.678%0.7862%0.617SS**  trans-79.484.1170.6-79.5-166.1-14.700110.2G135G135-Q137 VanDerWaalsContact C-N 3.29Å; G135-Q137 PolarHBondContact O-N 3.06Å; G135-Q137 VanDerWaalsContact O-N 3.1Å
138G58.3Low59.3Low35 Ų35144.4 Ų144.436%0.36165%0.652SS.*  trans-72135172.200000111.7I136 W140 M141I136-G138 PolarHBondContact O-N 2.89Å; I136-G138 VanDerWaalsContact O-N 3.08Å; G138-W140 PolarHBondContact O-N 2.89Å; G138-M141 WeakPolarHBondContact O-CB 3.28Å; G138-M141 PolarHBondContact O-N 3.25Å
139R55.2Low57.9Low240 Ų240143.2 Ų143.291%0.90667%0.665SS**G310 helixtrans-56.1-22.3174.8-160.8-175.9-75.6-149.7-0.6112.9M141R139-M141 VanDerWaalsContact C-N 3.31Å; R139-M141 PolarHBondContact O-N 2.8Å
140W59Low56.5Low201 Ų201146.8 Ų146.876%0.76168%0.681SS**G310 helixtrans-70.3-17.5174.1-175.479.7000114.3Y124 G138 K142Y124-W140 HydrophobicContact CE2-CH2 4.35Å; Y124-W140 HydrophobicContact CE2-CZ3 4.33Å; G138-W140 PolarHBondContact O-N 2.89Å; W140-K142 VanDerWaalsContact C-N 3.33Å
141M56.1Low55.3Low36 Ų36145.3 Ų145.318%0.17769%0.689CS.*G310 helixtrans-77-16.1176.3-75.3-171163.900114.1K128 L131 T132 G138 R139 Q143K128-M141 HydrophobicContact CG-CE 4.32Å; K128-M141 HydrophobicContact CG-SD 4.34Å; L131-M141 HydrophobicContact CB-CE 3.53Å; L131-M141 HydrophobicContact CD1-CE 3.45Å; L131-M141 VanDerWaalsContact CD1-CE 3.45Å; L131-M141 HydrophobicContact CG-CE 4.14Å; T132-M141 HydrophobicContact CG2-SD 4.36Å; G138-M141 WeakPolarHBondContact O-CB 3.28Å; G138-M141 PolarHBondContact O-N 3.25Å; R139-M141 VanDerWaalsContact C-N 3.31Å; R139-M141 PolarHBondContact O-N 2.8Å; M141-Q143 PolarHBondContact O-N 2.89Å
142K56.7Low54Low183 Ų183147.2 Ų147.280%0.79671%0.713SS**  trans-84.484.2169.7-74-171177.6-174.70108W140 D144W140-K142 VanDerWaalsContact C-N 3.33Å; K142-D144 PolarHBondContact O-N 2.95Å
143Q50.9Low53.1Low152 Ų152156.1 Ų156.171%0.7174%0.74SS**  trans-69.9113.8159.5-85174.6-30.700107.6M141 P145M141-Q143 PolarHBondContact O-N 2.89Å; Q143-P145 WeakPolarHBondContact O-CD 3.35Å
144D49.2Very low52.1Low142 Ų142150 Ų15076%0.75973%0.734SS**  trans-58.7122.2166.1-86.6-49.8000108.6K142 R146K142-D144 PolarHBondContact O-N 2.95Å; D144-R146 PolarHBondContact O-N 2.9Å
145P47.1Very low51.2Low124 Ų124146.1 Ų146.181%0.80574%0.736SS**THydrogen-bonded Turntrans-64.91.4-176.9-20.831.5000115.1Q143Q143-P145 WeakPolarHBondContact O-CD 3.35Å
146R49Very low50.5Low242 Ų242154.4 Ų154.491%0.91375%0.748SS**THydrogen-bonded Turntrans-95.40.8-161.9-71.2-152.4-178.3-166.93.4116.6D144D144-R146 PolarHBondContact O-N 2.9Å
147R48.3Very low50.2Low238 Ų238160 Ų16090%0.89879%0.79SS**SBendtrans-110.21.4-170.8-137.1179.7-175.6-156.30.2117.2
148W49.9Very low49.7Very low262 Ų262159.6 Ų159.699%0.99279%0.79SS**SBendtrans-131.793.8175.8-135.9-77000111.6
149G39.1Very low49.2Very low61 Ų61166.2 Ų166.263%0.62981%0.813SS**  trans146.875.8171.300000114.1
150N38.8Very low48.9Very low166 Ų166162.1 Ų162.189%0.88881%0.808SS**  trans-113.391.4144.8-106.1-26.1000106.3
151P43.4Very low48.3Very low116 Ų116159.8 Ų159.875%0.75381%0.81SS**  trans-64.2142.5168.428.4-30.6000108.3R153P151-R153 PolarHBondContact O-N 3.19Å
152A43.8Very low47.8Very low98 Ų98167.5 Ų167.581%0.8185%0.85SS**  trans-44.2131.8-175.100000113.3A154A152-A154 PolarHBondContact O-N 2.91Å
153R47.9Very low47.2Very low250 Ų250166.5 Ų166.594%0.94385%0.853SS**  trans-6696.1167.1-166.3-179.1-130.6161.91.3107.8P151P151-R153 PolarHBondContact O-N 3.19Å
154A49.5Very low47Very low81 Ų81167.5 Ų167.567%0.66986%0.864SS**PPolyproline II helixtrans-67.1133.7168.400000109.4A152A152-A154 PolarHBondContact O-N 2.91Å
155P47.1Very low46.8Very low129 Ų129169.5 Ų169.584%0.83887%0.872SS**PPolyproline II helixtrans-74.6133.6169.714-1.5000109.1
156R48.8Very low46.8Very low235 Ų235173.3 Ų173.389%0.88788%0.877SS**PPolyproline II helixtrans-95.4149.2167.6-78.1-172.4-178.8179.90.7109.6
157P55.9Low46.6Very low201 Ų201167 Ų167100%1.30587%0.874SS**  trans-66.60-174.128.8-36.2000113.8

Retrieved 157 of 157 residues in 181 ms (Link to these results)