A0A5K4FAG8_SCHMA Loading...

G-patch domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FAG8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 138 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
1M59Low66.8Low146 Ų146121.5 Ų121.572%0.71962%0.619SS**  0-150-60.2-149.1-163.500115K3 M4 Y6 L12 V20M1-K3 PolarHBondContact O-N 3.37Å; M1-M4 WeakPolarHBondContact O-CB 3.46Å; M1-M4 PolarHBondContact O-N 3.34Å; M1-Y6 HydrophobicContact CB-CD1 3.74Å; M1-Y6 HydrophobicContact CB-CG 3.96Å; M1-Y6 HydrophobicContact SD-CG 4.47Å; M1-L12 HydrophobicContact SD-CD1 4.05Å; M1-V20 HydrophobicContact CE-CG1 4.14Å; M1-V20 HydrophobicContact SD-CG1 3.83Å
2R63.5Low66.6Low231 Ų231119.1 Ų119.187%0.87261%0.608SS**G310 helixtrans-54.8-34.3177.9-157.9-177.2-54.8139.14.3114.8M4 G5R2-M4 PolarHBondContact O-N 3.05Å; R2-G5 PolarHBondContact O-N 2.91Å
3K71.9Confident66.6Low210 Ų210113.8 Ų113.891%0.91360%0.601SS**G310 helixtrans-65.3-15.1176.8-162.4173.7180-177.90113.8M1M1-K3 PolarHBondContact O-N 3.37Å
4M66.6Low66.6Low153 Ų153116.6 Ų116.675%0.75463%0.625SS**G310 helixtrans-103.58.8179.6-58.9-68.8-74.100112.8M1 R2 Y6M1-M4 WeakPolarHBondContact O-CB 3.46Å; M1-M4 PolarHBondContact O-N 3.34Å; R2-M4 PolarHBondContact O-N 3.05Å; M4-Y6 VanDerWaalsContact C-N 3.34Å
5G67.2Low66.9Low61 Ų61116.4 Ų116.463%0.62962%0.623SS**THydrogen-bonded Turntrans76.416.5-178.600000115.1R2R2-G5 PolarHBondContact O-N 2.91Å
6Y69.8Low66.6Low52 Ų52112.6 Ų112.620%0.20461%0.613CS.*PPolyproline II helixtrans-75.2123.7176.5172.2-101.4000111.9M1 M4 Q10 L12 V20M1-Y6 HydrophobicContact CB-CD1 3.74Å; M1-Y6 HydrophobicContact CB-CG 3.96Å; M1-Y6 HydrophobicContact SD-CG 4.47Å; M4-Y6 VanDerWaalsContact C-N 3.34Å; Y6-Q10 VanDerWaalsContact CE2-O 3.29Å; Y6-Q10 WeakPolarHBondContact CE2-O 3.4Å; Y6-L12 HydrophobicContact CD2-CD1 4.2Å; Y6-V20 HydrophobicContact CD2-CB 4.27Å; Y6-V20 HydrophobicContact CD2-CG1 3.91Å; Y6-V20 HydrophobicContact CD2-CG2 4.21Å; Y6-V20 HydrophobicContact CE2-CB 3.45Å; Y6-V20 VanDerWaalsContact CE2-CB 3.45Å; Y6-V20 HydrophobicContact CE2-CG1 3.39Å; Y6-V20 HydrophobicContact CE2-CG2 3.73Å
7E68.6Low66.4Low136 Ų136114 Ų11464%0.63661%0.614SS**PPolyproline II helixtrans-102.6145.9164.5-63-166.316300110.9G9 Q10E7-G9 PolarHBondContact O-N 3.08Å; E7-Q10 HydrophobicContact CB-CB 4.45Å; E7-Q10 WeakPolarHBondContact O-CB 3.43Å; E7-Q10 PolarHBondContact O-N 3.35Å
8H66.4Low66Low164 Ų164110.4 Ų110.476%0.75961%0.608SS**THydrogen-bonded Turntrans-61.3124.5179.9-178.366.8000110.4
9G68.2Low65.8Low65 Ų65111.2 Ų111.267%0.6762%0.616SS**THydrogen-bonded Turntrans92.9-3.3-176.200000115.3E7E7-G9 PolarHBondContact O-N 3.08Å
10Q67.9Low65.7Low101 Ų101107.2 Ų107.247%0.47260%0.595SS.*  trans-99.7130.9179.3-155.8176.31.600111.7Y6 E7 V20Y6-Q10 VanDerWaalsContact CE2-O 3.29Å; Y6-Q10 WeakPolarHBondContact CE2-O 3.4Å; E7-Q10 HydrophobicContact CB-CB 4.45Å; E7-Q10 WeakPolarHBondContact O-CB 3.43Å; E7-Q10 PolarHBondContact O-N 3.35Å; Q10-V20 WeakPolarHBondContact O-CG2 3.48Å
11G65.3Low65.7Low18 Ų18107.5 Ų107.519%0.18659%0.592CS.*  trans-70.3145177.400000112.8G13 A16 G18G11-G13 PolarHBondContact O-N 3.42Å; G11-A16 WeakPolarHBondContact CA-O 3.44Å; G11-G18 WeakPolarHBondContact CA-O 3.41Å
12L65.4Low65.9Low92 Ų92106.5 Ų106.548%0.48260%0.596SS.*SBendtrans-87.593179.3-103.2150.4000110.3M1 Y6 H17 V20M1-L12 HydrophobicContact SD-CD1 4.05Å; Y6-L12 HydrophobicContact CD2-CD1 4.2Å; L12-H17 CarbonylContact C-O 3.59Å; L12-H17 VanDerWaalsContact O-O 3.11Å; L12-V20 HydrophobicContact CB-CG2 3.86Å; L12-V20 HydrophobicContact CD1-CB 4.47Å; L12-V20 HydrophobicContact CD1-CG1 3.78Å; L12-V20 HydrophobicContact CD1-CG2 3.76Å; L12-V20 HydrophobicContact CG-CG2 4.1Å
13G66.5Low66.1Low50 Ų50101.5 Ų101.552%0.51559%0.591SS.*SBendtrans168.9166.8175.100000112.7G11 N15 A16G11-G13 PolarHBondContact O-N 3.42Å; G13-N15 PolarHBondContact O-N 3Å; G13-N15 VanDerWaalsContact O-N 3.11Å; G13-A16 PolarHBondContact O-N 3.04Å
14V66.7Low65.8Low154 Ų15495.9 Ų95.993%0.93358%0.584SS**THydrogen-bonded Turntrans-57.7-28.3-178.1-171.70000112.4
15N69.9Low65.6Low113 Ų11396.1 Ų96.160%0.60459%0.587SS**THydrogen-bonded Turntrans-109.119.2178.9-63.2-13.4000113.1G13 H17G13-N15 PolarHBondContact O-N 3Å; G13-N15 VanDerWaalsContact O-N 3.11Å; N15-H17 WeakPolarHBondContact CB-CD2 3.18Å; N15-H17 WeakPolarHBondContact CB-NE2 3.05Å; N15-H17 PolarHBondContact O-CE1 3.48Å; N15-H17 PolarHBondContact O-N 3.05Å; N15-H17 VanDerWaalsContact O-N 3.09Å; N15-H17 PolarHBondContact O-ND1 3.06Å
16A63.5Low65.3Low56 Ų5698 Ų9846%0.46359%0.591SS.*SBendtrans52.529-171.400000113.6G11 G13G11-A16 WeakPolarHBondContact CA-O 3.44Å; G13-A16 PolarHBondContact O-N 3.04Å
17H62.4Low64.9Low136 Ų136105.2 Ų105.263%0.6362%0.623SS**  trans-87.2131.9176.7-65-28.2000110.3L12 N15L12-H17 CarbonylContact C-O 3.59Å; L12-H17 VanDerWaalsContact O-O 3.11Å; N15-H17 WeakPolarHBondContact CB-CD2 3.18Å; N15-H17 WeakPolarHBondContact CB-NE2 3.05Å; N15-H17 PolarHBondContact O-CE1 3.48Å; N15-H17 PolarHBondContact O-N 3.05Å; N15-H17 VanDerWaalsContact O-N 3.09Å; N15-H17 PolarHBondContact O-ND1 3.06Å
18G60.1Low64.3Low49 Ų49104 Ų10451%0.50562%0.618SS.*SBendtrans123.5116.718000000111.2G11 V20G11-G18 WeakPolarHBondContact CA-O 3.41Å; G18-V20 PolarHBondContact O-N 2.78Å
19V61.3Low63.8Low125 Ų125103.9 Ų103.976%0.75862%0.615SS**  trans-71.2111.4170.3178.90000107.2E21V19-E21 VanDerWaalsContact C-N 3.3Å; V19-E21 HydrophobicContact CG1-CB 3.77Å; V19-E21 HydrophobicContact CG1-CG 4.44Å
20V64.8Low63.3Low32 Ų32104.7 Ų104.719%0.19462%0.623CS.*  trans-89.3-7.5174.4-165.30000110.7M1 Y6 Q10 L12 G18M1-V20 HydrophobicContact CE-CG1 4.14Å; M1-V20 HydrophobicContact SD-CG1 3.83Å; Y6-V20 HydrophobicContact CD2-CB 4.27Å; Y6-V20 HydrophobicContact CD2-CG1 3.91Å; Y6-V20 HydrophobicContact CD2-CG2 4.21Å; Y6-V20 HydrophobicContact CE2-CB 3.45Å; Y6-V20 VanDerWaalsContact CE2-CB 3.45Å; Y6-V20 HydrophobicContact CE2-CG1 3.39Å; Y6-V20 HydrophobicContact CE2-CG2 3.73Å; Q10-V20 WeakPolarHBondContact O-CG2 3.48Å; L12-V20 HydrophobicContact CB-CG2 3.86Å; L12-V20 HydrophobicContact CD1-CB 4.47Å; L12-V20 HydrophobicContact CD1-CG1 3.78Å; L12-V20 HydrophobicContact CD1-CG2 3.76Å; L12-V20 HydrophobicContact CG-CG2 4.1Å; G18-V20 PolarHBondContact O-N 2.78Å
21E64.2Low63Low114 Ų114109.1 Ų109.153%0.53364%0.635SS.*SBendtrans-61.3134.2168.4-64.1-154154.500109.2V19 V23V19-E21 VanDerWaalsContact C-N 3.3Å; V19-E21 HydrophobicContact CG1-CB 3.77Å; V19-E21 HydrophobicContact CG1-CG 4.44Å; E21-V23 PolarHBondContact O-N 3.5Å; E21-V23 VanDerWaalsContact O-N 3.08Å
22P64.1Low62.8Low124 Ų124112.7 Ų112.781%0.80566%0.658SS**PPolyproline II helixtrans-55.4122.7175.421.7-30000108.3A24P22-A24 PolarHBondContact O-N 3.24Å
23V68.2Low62.5Low127 Ų127111 Ų11177%0.7766%0.663SS**PPolyproline II helixtrans-54119.7173.1177.20000106.7E21 L25E21-V23 PolarHBondContact O-N 3.5Å; E21-V23 VanDerWaalsContact O-N 3.08Å; V23-L25 PolarHBondContact O-N 3.5Å
24A65.6Low61.8Low92 Ų92117.9 Ų117.976%0.7669%0.687SS**  trans-54.7112.517600000107.4P22 S26P22-A24 PolarHBondContact O-N 3.24Å; A24-S26 PolarHBondContact O-N 3.19Å
25L62Low61.3Low157 Ų157114.3 Ų114.382%0.82268%0.681SS**  trans-55.2127.8176.9-66.9174.3000107.1V23 K27V23-L25 PolarHBondContact O-N 3.5Å; L25-K27 PolarHBondContact O-N 3.02Å
26S60.8Low60.6Low101 Ų101112.6 Ų112.671%0.70668%0.678SS**  trans-49.3116.7168.9178.10000106.9A24 Q28A24-S26 PolarHBondContact O-N 3.19Å; S26-Q28 PolarHBondContact O-N 3.03Å
27K61Low60Low204 Ų204115.8 Ų115.889%0.88769%0.691SS**  trans-73.361.3170.7-65.3-165.4-178.3-175.20107.7L25 K29L25-K27 PolarHBondContact O-N 3.02Å; K27-K29 PolarHBondContact O-N 2.82Å
28Q56.3Low59.6Low111 Ų111118.5 Ų118.552%0.51970%0.701SS.*  trans-68.295.5170.6-162.5171.4-4.500106.1S26 G30 R31S26-Q28 PolarHBondContact O-N 3.03Å; Q28-G30 PolarHBondContact O-N 3.47Å; Q28-R31 PolarHBondContact O-N 2.84Å
29K54.8Low59Low160 Ų160121.1 Ų121.170%0.69671%0.707SS**THydrogen-bonded Turntrans-55.5115.2-176.7-179.4167.1166.1-175.80108.2K27 K45K27-K29 PolarHBondContact O-N 2.82Å; K29-K45 HydrophobicContact CD-CD 4.4Å
30G59Low58.2Low82 Ų82122.3 Ų122.385%0.84572%0.715SS**THydrogen-bonded Turntrans102.4-717900000116Q28Q28-G30 PolarHBondContact O-N 3.47Å
31R60.2Low57Low194 Ų194125.4 Ų125.473%0.73274%0.739SS**  trans-117.596.5175.8-65.8-17773.61651.3110.1Q28Q28-R31 PolarHBondContact O-N 2.84Å
32S61.8Low56Low93 Ų93125.3 Ų125.365%0.6575%0.751SS**PPolyproline II helixtrans-90.3131.5170.5-166.90000109S36S32-S36 WeakPolarHBondContact OG-CB 3.31Å; S32-S36 PolarHBondContact OG-OG 3.22Å
33G58.8Low54.9Low58 Ų58123.3 Ų123.360%0.59874%0.739SS**PPolyproline II helixtrans-74.1155.5176.100000112.5G35 S36G33-G35 PolarHBondContact O-N 2.93Å; G33-S36 PolarHBondContact O-N 3.05Å
34L53.3Low53.6Low194 Ų194125.4 Ų125.4100%1.01675%0.746SS**THydrogen-bonded Turntrans-55.6119.3171.3-72.7161.5000109.5
35G55.3Low52.7Low78 Ų78127.1 Ų127.180%0.80474%0.737SS**THydrogen-bonded Turntrans109.6-2-178.600000115.9G33 V37G33-G35 PolarHBondContact O-N 2.93Å; G35-V37 PolarHBondContact O-N 2.88Å; G35-V37 VanDerWaalsContact O-N 3.12Å
36S54.2Low51.7Low78 Ų78128.1 Ų128.155%0.54573%0.734SS.*  trans-72.3104.5173.5-156.20000110.4S32 G33 K38S32-S36 WeakPolarHBondContact OG-CB 3.31Å; S32-S36 PolarHBondContact OG-OG 3.22Å; G33-S36 PolarHBondContact O-N 3.05Å; S36-K38 PolarHBondContact O-N 3.06Å; S36-K38 VanDerWaalsContact O-N 3.15Å
37V51.6Low51.3Low122 Ų122130.4 Ų130.474%0.73974%0.737SS**  trans-63.6113.6173.2177.40000107.8G35 T39G35-V37 PolarHBondContact O-N 2.88Å; G35-V37 VanDerWaalsContact O-N 3.12Å; V37-T39 PolarHBondContact O-N 3.25Å
38K53.9Low50.6Low193 Ų193129.3 Ų129.384%0.83974%0.735SS**  trans-64.383.3171.4-65.1-179.4-177178.30108.3S36 T40S36-K38 PolarHBondContact O-N 3.06Å; S36-K38 VanDerWaalsContact O-N 3.15Å; K38-T40 PolarHBondContact O-N 2.94Å
39T48.3Very low50.1Low104 Ų104128.2 Ų128.264%0.63874%0.739SS**  trans-64.5125.5162.353.40000106.5V37 S41V37-T39 PolarHBondContact O-N 3.25Å; T39-S41 PolarHBondContact O-N 3.43Å
40T43.8Very low49.8Very low150 Ų150129.2 Ų129.292%0.9274%0.744SS**SBendtrans-56.180.5179.749.40000111.4K38K38-T40 PolarHBondContact O-N 2.94Å
41S39.5Very low49.5Very low98 Ų98131.4 Ų131.469%0.68575%0.746SS**  trans-161.546.7168.355.20000108.6T39 S43T39-S41 PolarHBondContact O-N 3.43Å; S41-S43 VanDerWaalsContact C-N 3.33Å; S41-S43 PolarHBondContact O-N 3.37Å
42S42.8Very low49.3Very low112 Ų112124 Ų12478%0.78373%0.73SS**  trans-76.188.2176.2-171.30000109.7
43S42.4Very low49.1Very low82 Ų82129.1 Ų129.157%0.57374%0.744SS**  trans25.8102.2142.4590000117.6S41 K45S41-S43 VanDerWaalsContact C-N 3.33Å; S41-S43 PolarHBondContact O-N 3.37Å; S43-K45 PolarHBondContact O-N 3.44Å
44D40.7Very low49.3Very low171 Ų171133.5 Ų133.591%0.91475%0.753SS**  trans-60.281.8150.7-68.6-48.3000109.6
45K46.7Very low49.6Very low128 Ų128133.6 Ų133.656%0.55774%0.741SS**  trans-103.185.4151.1-74.1-177.5176.5154.80105.2K29 S43 I47K29-K45 HydrophobicContact CD-CD 4.4Å; S43-K45 PolarHBondContact O-N 3.44Å; K45-I47 PolarHBondContact O-N 3.44Å
46K41.2Very low50Low177 Ų177137.7 Ų137.777%0.7774%0.74SS**  trans-33.2103.7161.2-175.8-178-176.5-168.90107.1E48K46-E48 PolarHBondContact O-N 2.96Å
47I52.1Low50.6Low150 Ų150134.9 Ų134.977%0.76972%0.72SS**  trans-48.6119.9161.2-63.8169.7000103K45 S49K45-I47 PolarHBondContact O-N 3.44Å; I47-S49 VanDerWaalsContact C-N 3.26Å; I47-S49 PolarHBondContact O-N 3.03Å
48E45.8Very low51.8Low181 Ų181134.9 Ų134.985%0.84673%0.725SS**  trans-51.7103.6173.7-82.4179.8162.400105.8K46 F50K46-E48 PolarHBondContact O-N 2.96Å; E48-F50 PolarHBondContact O-N 3.35Å
49S45.7Very low52.6Low87 Ų87128.3 Ų128.361%0.60870%0.699SS**  trans-59.5111.3-177.3-50.40000104.8I47 S51I47-S49 VanDerWaalsContact C-N 3.26Å; I47-S49 PolarHBondContact O-N 3.03Å; S49-S51 PolarHBondContact O-N 3.43Å
50F48.2Very low53.8Low182 Ų182133.9 Ų133.980%0.79871%0.708SS**  trans-51.8109.7176.6-152.1-96.3000106.4E48 G52E48-F50 PolarHBondContact O-N 3.35Å; F50-G52 PolarHBondContact O-N 2.94Å
51S53.1Low55.3Low127 Ų127130.6 Ų130.689%0.88869%0.686SS**  trans-86.86.9-175.266.80000112.4S49S49-S51 PolarHBondContact O-N 3.43Å
52G55.9Low57Low38 Ų38127.8 Ų127.839%0.39266%0.663SS.*SBendtrans-72.5147.5169.600000110F50 L54F50-G52 PolarHBondContact O-N 2.94Å; G52-L54 PolarHBondContact O-N 2.88Å
53E57.9Low58.5Low202 Ų202125.2 Ų125.294%0.94464%0.642SS**  trans-52.8110.1164.2-71.5179160.700107.2Y55E53-Y55 PolarHBondContact O-N 3.47Å; E53-Y55 VanDerWaalsContact O-N 3.17Å
54L62.4Low60.1Low149 Ų149128.9 Ų128.978%0.7864%0.643SS**  trans-52.5126.4169.7-82.9161.2000106.5G52 Q56G52-L54 PolarHBondContact O-N 2.88Å; L54-Q56 PolarHBondContact O-N 3.04Å
55Y60.5Low61.6Low196 Ų196123.3 Ų123.377%0.76961%0.612SS**  trans-53.6112.5175.9174.4-92.9000108.4E53E53-Y55 PolarHBondContact O-N 3.47Å; E53-Y55 VanDerWaalsContact O-N 3.17Å
56Q62.4Low62.7Low165 Ų165122.5 Ų122.577%0.77161%0.61SS**  trans-98.4121.8175.6-164.1171.46.200107.2L54 S58L54-Q56 PolarHBondContact O-N 3.04Å; Q56-S58 PolarHBondContact O-N 2.89Å
57S67.8Low63.8Low19 Ų19115.2 Ų115.213%0.13359%0.585CS.*  trans-52139.3173.3-178.70000109.7N59 L62S57-N59 PolarHBondContact O-N 2.94Å; S57-N59 PolarHBondContact OG-N 3.34Å; S57-L62 WeakPolarHBondContact OG-CD1 3.13Å
58S76.1Confident64.1Low122 Ų122112.6 Ų112.685%0.85358%0.579SS**SBendtrans-60.2-23.4171.553.90000111.8Q56Q56-S58 PolarHBondContact O-N 2.89Å
59N72.3Confident64.6Low55 Ų55108.8 Ų108.829%0.29456%0.564SS.*SBendtrans-86.7108.8172.8-169.9-14.8000110.2S57 N61 L62 M85S57-N59 PolarHBondContact O-N 2.94Å; S57-N59 PolarHBondContact OG-N 3.34Å; N59-N61 PolarHBondContact O-N 3.07Å; N59-N61 VanDerWaalsContact O-N 3.16Å; N59-N61 WeakPolarHBondContact OD1-CB 3.47Å; N59-N61 PolarHBondContact OD1-N 3.5Å; N59-N61 VanDerWaalsContact OD1-N 3.09Å; N59-L62 HydrophobicContact CB-CB 4.48Å; N59-L62 HydrophobicContact CB-CD1 3.67Å; N59-L62 HydrophobicContact CB-CG 4.14Å; N59-L62 PolarHBondContact O-N 3.16Å; N59-L62 VanDerWaalsContact O-N 3.11Å; N59-M85 WeakPolarHBondContact ND2-CE 3.47Å
60R73.4Confident65.2Low220 Ų220110.8 Ų110.883%0.8357%0.568SS**THydrogen-bonded Turntrans-62.7-19.3179.5-68-173.8-179.2-173.9-0.1114.1L62R60-L62 VanDerWaalsContact C-N 3.3Å
61N74.9Confident65.5Low82 Ų82107.1 Ų107.144%0.43956%0.557SS.*THydrogen-bonded Turntrans-84-10.1-179.3-54.3-11.2000111.6N59 M85 E86N59-N61 PolarHBondContact O-N 3.07Å; N59-N61 VanDerWaalsContact O-N 3.16Å; N59-N61 WeakPolarHBondContact OD1-CB 3.47Å; N59-N61 PolarHBondContact OD1-N 3.5Å; N59-N61 VanDerWaalsContact OD1-N 3.09Å; N61-M85 HydrophobicContact CB-CE 4.22Å; N61-M85 HydrophobicContact CB-CG 3.61Å; N61-M85 HydrophobicContact CB-SD 4.12Å; N61-M85 CarbonylContact O-C 3.46Å; N61-M85 VanDerWaalsContact O-CA 3.26Å; N61-M85 WeakPolarHBondContact O-CA 3.47Å; N61-E86 PolarHBondContact O-N 2.88Å
62L74.5Confident65.6Low39 Ų39112.3 Ų112.320%0.20456%0.559CS.*EExtended strand (participates in β ladder)trans-87.6113.3178-76.5165.2000109.8S57 N59 R60 W83S57-L62 WeakPolarHBondContact OG-CD1 3.13Å; N59-L62 HydrophobicContact CB-CB 4.48Å; N59-L62 HydrophobicContact CB-CD1 3.67Å; N59-L62 HydrophobicContact CB-CG 4.14Å; N59-L62 PolarHBondContact O-N 3.16Å; N59-L62 VanDerWaalsContact O-N 3.11Å; R60-L62 VanDerWaalsContact C-N 3.3Å; L62-W83 HydrophobicContact CB-CH2 4.31Å; L62-W83 HydrophobicContact CB-CZ2 3.69Å; L62-W83 HydrophobicContact CD1-CH2 3.17Å; L62-W83 HydrophobicContact CD1-CZ2 3.37Å; L62-W83 HydrophobicContact CD1-CZ3 3.95Å; L62-W83 HydrophobicContact CD2-CD2 4.24Å; L62-W83 HydrophobicContact CD2-CE3 4.03Å; L62-W83 HydrophobicContact CD2-CH2 3.83Å; L62-W83 HydrophobicContact CD2-CZ2 3.99Å; L62-W83 HydrophobicContact CD2-CZ3 3.82Å; L62-W83 HydrophobicContact CG-CH2 3.94Å; L62-W83 HydrophobicContact CG-CZ2 3.86Å; L62-W83 HydrophobicContact CG-CZ3 4.44Å
63V74.9Confident65.5Low57 Ų57115.7 Ų115.735%0.34557%0.572SS.*EExtended strand (participates in β ladder)trans-128.1149.5-174.3-170.90000109.2H65 S84 E86V63-H65 PolarHBondContact O-CD2 3.32Å; V63-H65 PolarHBondContact O-N 3.31Å; V63-S84 PolarHBondContact N-O 2.69Å; V63-S84 PolarHBondContact O-N 3.3Å; V63-E86 HydrophobicContact CG2-CB 4.43Å
64W76Confident65.4Low159 Ų159109.1 Ų109.160%0.60255%0.546SS*.EExtended strand (participates in β ladder)trans-76.4118.9168-73.6102.4000109.1W81 S82 W83W64-W81 HydrophobicContact CB-CE3 4.16Å; W64-W81 HydrophobicContact CE3-CB 4.08Å; W64-W81 HydrophobicContact CZ3-CB 4.42Å; W64-S82 CarbonylContact C-O 3.34Å; W64-S82 WeakPolarHBondContact CA-O 3.46Å; W64-W83 HydrophobicContact CD2-CB 4.36Å; W64-W83 AromaticContact CD2-CD1 3.93Å; W64-W83 AromaticContact CE2-CD1 3.73Å; W64-W83 HydrophobicContact CE3-CB 3.97Å; W64-W83 HydrophobicContact CH2-CB 4.1Å; W64-W83 HydrophobicContact CZ2-CB 4.46Å; W64-W83 HydrophobicContact CZ3-CB 3.84Å; W64-W83 AromaticContact NE1-CD1 3.95Å
65H71.1Confident65.2Low55 Ų55107.4 Ų107.426%0.25555%0.553SS.*EExtended strand (participates in β ladder)trans-105.9133.8175.6-61.7-76.5000109.4V63 G67 W81 S82 S84V63-H65 PolarHBondContact O-CD2 3.32Å; V63-H65 PolarHBondContact O-N 3.31Å; H65-G67 PolarHBondContact O-N 2.98Å; H65-W81 CarbonylContact O-C 3.56Å; H65-W81 WeakPolarHBondContact O-CA 3.33Å; H65-S82 PolarHBondContact N-O 3Å; H65-S82 PolarHBondContact O-N 3.23Å; H65-S82 PolarHBondContact O-OG 2.73Å; H65-S84 PolarHBondContact CD2-OG 3.18Å
66E70.5Confident65.5Low110 Ų110102.5 Ų102.551%0.51454%0.54SS..EExtended strand (participates in β ladder)trans-61.7121.7165.7-169.7175.2-175.400107.8C68 Y79 W81E66-C68 PolarHBondContact O-N 3.48Å; E66-Y79 HydrophobicContact CG-CD1 4.38Å; E66-Y79 WeakPolarHBondContact OE1-CD1 3.48Å; E66-Y79 WeakPolarHBondContact OE1-CE1 3.48Å; E66-W81 HydrophobicContact CB-CZ3 4.37Å
67G64.9Low65.4Low24 Ų2497 Ų9725%0.24753%0.527CS..  trans-63.5130.7-17900000110H65 D69 T80H65-G67 PolarHBondContact O-N 2.98Å; G67-D69 PolarHBondContact O-N 3.3Å; G67-T80 WeakPolarHBondContact CA-O 3.37Å; G67-T80 PolarHBondContact N-O 3.11Å
68C57.2Low65.4Low96 Ų96100.8 Ų100.865%0.64955%0.546SS*.  trans-79.977166.7-73.40000107.8E66 D70E66-C68 PolarHBondContact O-N 3.48Å; C68-D70 VanDerWaalsContact C-N 3.29Å; C68-D70 WeakPolarHBondContact CB-OD1 3.36Å; C68-D70 PolarHBondContact O-N 3.09Å
69D57.5Low64.9Low100 Ų100102.8 Ų102.854%0.53554%0.536SS..  trans-7795.2158-116.3-23.5000106G67 D71G67-D69 PolarHBondContact O-N 3.3Å; D69-D71 PolarHBondContact O-N 2.73Å
70D57.2Low64.7Low129 Ų129103.6 Ų103.669%0.6954%0.543SS*.  trans-66.5-10.9177.9-62.2-3000111.6C68 Y72C68-D70 VanDerWaalsContact C-N 3.29Å; C68-D70 WeakPolarHBondContact CB-OD1 3.36Å; C68-D70 PolarHBondContact O-N 3.09Å; D70-Y72 PolarHBondContact O-N 3.42Å
71D56.2Low64.6Low106 Ų106100 Ų10057%0.56753%0.53SS*.  trans-80104.1171-84.1-17.7000109.6D69 T73D69-D71 PolarHBondContact O-N 2.73Å; D71-T73 HydrophobicContact CB-CG2 4.23Å; D71-T73 PolarHBondContact O-N 2.65Å
72Y53.4Low64.4Low236 Ų23697.6 Ų97.693%0.92552%0.519SS*.THydrogen-bonded Turntrans-58.331.3167.3-68.2-86.3000114.3D70D70-Y72 PolarHBondContact O-N 3.42Å
73T53.6Low64.4Low109 Ų109101.9 Ų101.967%0.66953%0.533SS*.THydrogen-bonded Turntrans-111.2-3.5-167.969.70000114.9D71 A75D71-T73 HydrophobicContact CB-CG2 4.23Å; D71-T73 PolarHBondContact O-N 2.65Å; T73-A75 PolarHBondContact O-N 2.79Å
74T55.9Low64.2Low64 Ų6499.9 Ų99.939%0.39352%0.521SS..  trans-67.495.6167.713.80000109.7D76 G77 D78T74-D76 PolarHBondContact O-N 3.26Å; T74-G77 PolarHBondContact O-N 3.34Å; T74-D78 HydrophobicContact CG2-CB 4.3Å
75A58.3Low63.9Low113 Ų11395.4 Ų95.493%0.93451%0.508SS*.THydrogen-bonded Turntrans-64-9.7-176.100000114.1T73T73-A75 PolarHBondContact O-N 2.79Å
76D68.3Low63.7Low92 Ų9299.5 Ų99.549%0.49253%0.527SS..THydrogen-bonded Turntrans-104.7-12.9-17941.726.9000114.1T74 D78T74-D76 PolarHBondContact O-N 3.26Å; D76-D78 VanDerWaalsContact C-N 3.34Å; D76-D78 WeakPolarHBondContact OD1-CB 3.2Å; D76-D78 VanDerWaalsContact OD1-CG 3.27Å; D76-D78 PolarHBondContact OD1-N 2.8Å; D76-D78 VanDerWaalsContact OD1-N 3.15Å
77G60.3Low63.4Low49 Ų4998 Ų9851%0.50554%0.542SS..  trans74.926.7-173.100000112.7T74T74-G77 PolarHBondContact O-N 3.34Å
78D67.2Low63.1Low99 Ų99103 Ų10353%0.52956%0.558SS.*PPolyproline II helixtrans-72.3128.3175.9-71-3.5000110T74 D76T74-D78 HydrophobicContact CG2-CB 4.3Å; D76-D78 VanDerWaalsContact C-N 3.34Å; D76-D78 WeakPolarHBondContact OD1-CB 3.2Å; D76-D78 VanDerWaalsContact OD1-CG 3.27Å; D76-D78 PolarHBondContact OD1-N 2.8Å; D76-D78 VanDerWaalsContact OD1-N 3.15Å
79Y65.9Low63Low165 Ų165102.4 Ų102.465%0.64755%0.554SS**PPolyproline II helixtrans-90.3118.1174-61.2-78.5000108.5E66 W81E66-Y79 HydrophobicContact CG-CD1 4.38Å; E66-Y79 WeakPolarHBondContact OE1-CD1 3.48Å; E66-Y79 WeakPolarHBondContact OE1-CE1 3.48Å; Y79-W81 VanDerWaalsContact O-CD1 3.3Å
80T67.2Low62.9Low71 Ų71100.1 Ų100.144%0.43655%0.545SS..PPolyproline II helixtrans-72.5134.4168.8-550000108.2G67G67-T80 WeakPolarHBondContact CA-O 3.37Å; G67-T80 PolarHBondContact N-O 3.11Å
81W71.8Confident62.7Low146 Ų14699.2 Ų99.255%0.55354%0.544SS*.EExtended strand (participates in β ladder)trans-113.9135.4173-68.378.4000109W64 H65 E66 Y79W64-W81 HydrophobicContact CB-CE3 4.16Å; W64-W81 HydrophobicContact CE3-CB 4.08Å; W64-W81 HydrophobicContact CZ3-CB 4.42Å; H65-W81 CarbonylContact O-C 3.56Å; H65-W81 WeakPolarHBondContact O-CA 3.33Å; E66-W81 HydrophobicContact CB-CZ3 4.37Å; Y79-W81 VanDerWaalsContact O-CD1 3.3Å
82S69.8Low62.5Low30 Ų3098.7 Ų98.721%0.2154%0.541CS..EExtended strand (participates in β ladder)trans-116.2146.2177.962.10000110.1W64 H65W64-S82 CarbonylContact C-O 3.34Å; W64-S82 WeakPolarHBondContact CA-O 3.46Å; H65-S82 PolarHBondContact N-O 3Å; H65-S82 PolarHBondContact O-N 3.23Å; H65-S82 PolarHBondContact O-OG 2.73Å
83W74.3Confident62.4Low129 Ų12990.1 Ų90.149%0.48952%0.516SS..EExtended strand (participates in β ladder)trans-108.9107.1177.3-172.981.7000108.2L62 W64L62-W83 HydrophobicContact CB-CH2 4.31Å; L62-W83 HydrophobicContact CB-CZ2 3.69Å; L62-W83 HydrophobicContact CD1-CH2 3.17Å; L62-W83 HydrophobicContact CD1-CZ2 3.37Å; L62-W83 HydrophobicContact CD1-CZ3 3.95Å; L62-W83 HydrophobicContact CD2-CD2 4.24Å; L62-W83 HydrophobicContact CD2-CE3 4.03Å; L62-W83 HydrophobicContact CD2-CH2 3.83Å; L62-W83 HydrophobicContact CD2-CZ2 3.99Å; L62-W83 HydrophobicContact CD2-CZ3 3.82Å; L62-W83 HydrophobicContact CG-CH2 3.94Å; L62-W83 HydrophobicContact CG-CZ2 3.86Å; L62-W83 HydrophobicContact CG-CZ3 4.44Å; W64-W83 HydrophobicContact CD2-CB 4.36Å; W64-W83 AromaticContact CD2-CD1 3.93Å; W64-W83 AromaticContact CE2-CD1 3.73Å; W64-W83 HydrophobicContact CE3-CB 3.97Å; W64-W83 HydrophobicContact CH2-CB 4.1Å; W64-W83 HydrophobicContact CZ2-CB 4.46Å; W64-W83 HydrophobicContact CZ3-CB 3.84Å; W64-W83 AromaticContact NE1-CD1 3.95Å
84S70.8Confident62.6Low15 Ų1591.2 Ų91.211%0.10552%0.517CS..EExtended strand (participates in β ladder)trans-144.3174.4-176.767.90000111.5V63 H65 E88V63-S84 PolarHBondContact N-O 2.69Å; V63-S84 PolarHBondContact O-N 3.3Å; H65-S84 PolarHBondContact CD2-OG 3.18Å; S84-E88 PolarHBondContact OG-O 3.05Å
85M70.7Confident62.8Low66 Ų6691.8 Ų91.833%0.32552%0.524SS..EExtended strand (participates in β ladder)trans-78.8137.8177.3-165.7170.6-79.800110.2N59 N61 G87 E88N59-M85 WeakPolarHBondContact ND2-CE 3.47Å; N61-M85 HydrophobicContact CB-CE 4.22Å; N61-M85 HydrophobicContact CB-CG 3.61Å; N61-M85 HydrophobicContact CB-SD 4.12Å; N61-M85 CarbonylContact O-C 3.46Å; N61-M85 VanDerWaalsContact O-CA 3.26Å; N61-M85 WeakPolarHBondContact O-CA 3.47Å; M85-G87 PolarHBondContact O-N 3.22Å; M85-G87 VanDerWaalsContact O-N 3.14Å; M85-E88 PolarHBondContact O-N 3.15Å
86E66.8Low63Low141 Ų14191.4 Ų91.466%0.65950%0.502SS*.THydrogen-bonded Turntrans-55.7118179.4-172.6174.8-153.200110.6N61 V63N61-E86 PolarHBondContact O-N 2.88Å; V63-E86 HydrophobicContact CG2-CB 4.43Å
87G64.5Low62.9Low79 Ų7990.1 Ų90.181%0.81450%0.495SS*.THydrogen-bonded Turntrans104.4-13.6-177.200000114.6M85M85-G87 PolarHBondContact O-N 3.22Å; M85-G87 VanDerWaalsContact O-N 3.14Å
88E58.2Low63Low129 Ų12993.5 Ų93.560%0.60350%0.501SS*.  trans-99.291.2167.6-67.9177.7173.900107.8S84 M85 P90S84-E88 PolarHBondContact OG-O 3.05Å; M85-E88 PolarHBondContact O-N 3.15Å; E88-P90 VanDerWaalsContact O-CD 3.25Å; E88-P90 WeakPolarHBondContact O-CD 3.27Å
89C55.6Low63Low82 Ų8293.8 Ų93.855%0.55451%0.512SS*.  trans-61.8117.8156.3-174.80000105T91C89-T91 PolarHBondContact O-N 3.24Å
90P55.1Low63.1Low53 Ų5392.6 Ų92.634%0.34452%0.515SS..  trans-6990176.828.1-29.6000106.4E88 N92E88-P90 VanDerWaalsContact O-CD 3.25Å; E88-P90 WeakPolarHBondContact O-CD 3.27Å; P90-N92 HydrophobicContact CB-CB 4.47Å; P90-N92 PolarHBondContact O-N 3.2Å
91T53.6Low63.4Low109 Ų10994.1 Ų94.167%0.66952%0.52SS*.  trans-71.819.4163.960.10000110.6C89 S93C89-T91 PolarHBondContact O-N 3.24Å; T91-S93 PolarHBondContact O-N 3.4Å
92N51.9Low63.4Low95 Ų9591.3 Ų91.351%0.50852%0.515SS..  trans-65.379.1172.9-61.1-0.5000105.9P90 L94 E96P90-N92 HydrophobicContact CB-CB 4.47Å; P90-N92 PolarHBondContact O-N 3.2Å; N92-L94 PolarHBondContact O-N 3.07Å; N92-E96 PolarHBondContact OD1-OE2 3.04Å
93S51.7Low63.6Low56 Ų5692.4 Ų92.439%0.39252%0.523SS..  trans-49.7136.3165.871.80000105.4T91 S95 E96T91-S93 PolarHBondContact O-N 3.4Å; S93-S95 VanDerWaalsContact CB-OG 3.32Å; S93-S95 WeakPolarHBondContact CB-OG 3.3Å; S93-S95 CarbonylContact O-C 3.57Å; S93-S95 PolarHBondContact O-N 3.05Å; S93-S95 WeakPolarHBondContact OG-CB 3.39Å; S93-S95 PolarHBondContact OG-OG 2.83Å; S93-E96 PolarHBondContact O-N 3.08Å
94L57Low63.5Low133 Ų13391 Ų9170%0.69653%0.53SS*.Hα-helixtrans-45.4-26.6176.4-76.2165.4000112.1N92 E96 L97 N98N92-L94 PolarHBondContact O-N 3.07Å; L94-E96 VanDerWaalsContact C-N 3.29Å; L94-E96 PolarHBondContact O-N 2.9Å; L94-L97 HydrophobicContact CD2-CD1 4.42Å; L94-L97 CarbonylContact O-C 3.59Å; L94-L97 WeakPolarHBondContact O-CA 3.46Å; L94-L97 WeakPolarHBondContact O-CB 3.28Å; L94-L97 PolarHBondContact O-N 2.95Å; L94-N98 PolarHBondContact O-N 3.21Å; L94-N98 PolarHBondContact O-OD1 3.19Å
95S60Low63.8Low76 Ų7697 Ų9753%0.53156%0.561SS.*Hα-helixtrans-46.8-39.8168.4-16.40000115.7S93 N98S93-S95 VanDerWaalsContact CB-OG 3.32Å; S93-S95 WeakPolarHBondContact CB-OG 3.3Å; S93-S95 CarbonylContact O-C 3.57Å; S93-S95 PolarHBondContact O-N 3.05Å; S93-S95 WeakPolarHBondContact OG-CB 3.39Å; S93-S95 PolarHBondContact OG-OG 2.83Å; S95-N98 WeakPolarHBondContact O-CB 3.22Å; S95-N98 PolarHBondContact O-N 2.77Å
96E62.9Low64.2Low105 Ų10598.7 Ų98.749%0.49157%0.568SS.*Hα-helixtrans-72.2-36.1178.1-66-174.417600111.2N92 S93 L94 N98 S99N92-E96 PolarHBondContact OD1-OE2 3.04Å; S93-E96 PolarHBondContact O-N 3.08Å; L94-E96 VanDerWaalsContact C-N 3.29Å; L94-E96 PolarHBondContact O-N 2.9Å; E96-N98 VanDerWaalsContact C-N 3.34Å; E96-S99 PolarHBondContact O-N 2.95Å; E96-S99 PolarHBondContact O-OG 3.17Å
97L64.8Low64.8Low64 Ų6496.5 Ų96.534%0.33557%0.566SS.*Hα-helixtrans-73.8-22.9175.4-66.5176.8000113L94 S99 L100 I101L94-L97 HydrophobicContact CD2-CD1 4.42Å; L94-L97 CarbonylContact O-C 3.59Å; L94-L97 WeakPolarHBondContact O-CA 3.46Å; L94-L97 WeakPolarHBondContact O-CB 3.28Å; L94-L97 PolarHBondContact O-N 2.95Å; L97-S99 PolarHBondContact O-N 3.17Å; L97-L100 HydrophobicContact CD2-CD1 4.35Å; L97-L100 CarbonylContact O-C 3.6Å; L97-L100 WeakPolarHBondContact O-CA 3.49Å; L97-L100 PolarHBondContact O-N 3.07Å; L97-I101 HydrophobicContact CB-CD1 3.9Å; L97-I101 HydrophobicContact CB-CG1 4.27Å; L97-I101 HydrophobicContact CD1-CD1 4.17Å; L97-I101 HydrophobicContact CD2-CD1 4.39Å; L97-I101 HydrophobicContact CG-CD1 4.4Å; L97-I101 PolarHBondContact O-N 3.26Å
98N62.6Low65.4Low120 Ų120100.2 Ų100.264%0.64256%0.562SS**THydrogen-bonded Turntrans-58.7-19.4175.6-69.7-17.1000112.9L94 S95 E96L94-N98 PolarHBondContact O-N 3.21Å; L94-N98 PolarHBondContact O-OD1 3.19Å; S95-N98 WeakPolarHBondContact O-CB 3.22Å; S95-N98 PolarHBondContact O-N 2.77Å; E96-N98 VanDerWaalsContact C-N 3.34Å
99S68Low66.4Low106 Ų10696.2 Ų96.274%0.74155%0.551SS**THydrogen-bonded Turntrans-82.6-20.3173.768.80000113.8E96 L97E96-S99 PolarHBondContact O-N 2.95Å; E96-S99 PolarHBondContact O-OG 3.17Å; L97-S99 PolarHBondContact O-N 3.17Å
100L67.8Low67.5Low139 Ų13998.1 Ų98.173%0.72856%0.555SS**THydrogen-bonded Turntrans-107.1-28.8-175.3-75.8155.2000112.5L97L97-L100 HydrophobicContact CD2-CD1 4.35Å; L97-L100 CarbonylContact O-C 3.6Å; L97-L100 WeakPolarHBondContact O-CA 3.49Å; L97-L100 PolarHBondContact O-N 3.07Å
101I72.5Confident68.8Low103 Ų10398.3 Ų98.353%0.52857%0.567SS.*SBendtrans-111.9117.7-174.6-54.4-177.7000107.9L97 S103L97-I101 HydrophobicContact CB-CD1 3.9Å; L97-I101 HydrophobicContact CB-CG1 4.27Å; L97-I101 HydrophobicContact CD1-CD1 4.17Å; L97-I101 HydrophobicContact CD2-CD1 4.39Å; L97-I101 HydrophobicContact CG-CD1 4.4Å; L97-I101 PolarHBondContact O-N 3.26Å; I101-S103 PolarHBondContact O-N 3.04Å
102I73.7Confident70.3Confident87 Ų8798.5 Ų98.545%0.44657%0.57SS.*  trans-68.3130.4170.7-55.3173.9000107.3E106 E108 A109I102-E106 HydrophobicContact CG2-CB 3.83Å; I102-E106 HydrophobicContact CG2-CG 4.43Å; I102-E108 HydrophobicContact CD1-CB 4.22Å; I102-E108 HydrophobicContact CG2-CB 4.14Å; I102-A109 HydrophobicContact CB-CB 4.43Å; I102-A109 HydrophobicContact CG2-CB 3.81Å
103S72.2Confident71.9Confident54 Ų5499.1 Ų99.138%0.37858%0.579SS.*  trans-58.7136.7174.8168.60000109.7I101 D105 E106 A109I101-S103 PolarHBondContact O-N 3.04Å; S103-D105 PolarHBondContact O-N 3.1Å; S103-E106 WeakPolarHBondContact O-CB 3.32Å; S103-E106 PolarHBondContact O-N 3.02Å; S103-A109 WeakPolarHBondContact O-CB 3.43Å
104P73.3Confident73.5Confident100 Ų100101.9 Ų101.965%0.64959%0.588SS**THydrogen-bonded Turntrans-61.6-18.9-174.725.5-35.6000113.7
105D76.6Confident75Confident141 Ų141104.3 Ų104.375%0.75460%0.596SS**THydrogen-bonded Turntrans-89.3-10.2178.9-62.2-42.9000113.5S103S103-D105 PolarHBondContact O-N 3.1Å
106E79Confident76.4Confident100 Ų100106.7 Ų106.747%0.46760%0.599SS.*SBendtrans-74.3143.6-179.8-68.2-69.6159.200110.8I102 S103 E108 A109 L110I102-E106 HydrophobicContact CG2-CB 3.83Å; I102-E106 HydrophobicContact CG2-CG 4.43Å; S103-E106 WeakPolarHBondContact O-CB 3.32Å; S103-E106 PolarHBondContact O-N 3.02Å; E106-E108 PolarHBondContact O-N 3.45Å; E106-A109 WeakPolarHBondContact O-CB 3.48Å; E106-A109 PolarHBondContact O-N 3.2Å; E106-L110 PolarHBondContact O-N 3.06Å
107P78.9Confident77.6Confident95 Ų95106.5 Ų106.562%0.61760%0.601SS**THydrogen-bonded Turntrans-61.3-22.4-177.626.8-35000113A109 L110P107-A109 VanDerWaalsContact C-N 3.34Å; P107-L110 PolarHBondContact O-N 3.31Å
108E78.3Confident78.8Confident158 Ų158107 Ų10774%0.73860%0.604SS**THydrogen-bonded Turntrans-72.4-26.4175.6-62.5176.3-179.100112.7I102 E106I102-E108 HydrophobicContact CD1-CB 4.22Å; I102-E108 HydrophobicContact CG2-CB 4.14Å; E106-E108 PolarHBondContact O-N 3.45Å
109A78.7Confident80Confident44 Ų44106.2 Ų106.236%0.36460%0.6SS.*THydrogen-bonded Turntrans-82.7-18.7172.300000112.5I102 S103 E106 P107 G111I102-A109 HydrophobicContact CB-CB 4.43Å; I102-A109 HydrophobicContact CG2-CB 3.81Å; S103-A109 WeakPolarHBondContact O-CB 3.43Å; E106-A109 WeakPolarHBondContact O-CB 3.48Å; E106-A109 PolarHBondContact O-N 3.2Å; P107-A109 VanDerWaalsContact C-N 3.34Å; A109-G111 PolarHBondContact O-N 2.78Å; A109-G111 VanDerWaalsContact O-N 3.08Å
110L79.2Confident81Confident122 Ų122104.9 Ų104.964%0.63958%0.581SS**  trans-8479.5179.5-61.2179.5000110.9E106 P107E106-L110 PolarHBondContact O-N 3.06Å; P107-L110 PolarHBondContact O-N 3.31Å
111G81.8Confident82Confident57 Ų57102.2 Ų102.259%0.58857%0.568SS**PPolyproline II helixtrans-78169.4168.400000113.3A109A109-G111 PolarHBondContact O-N 2.78Å; A109-G111 VanDerWaalsContact O-N 3.08Å
112P84.7Confident82.8Confident113 Ų113103.4 Ų103.473%0.73457%0.574SS**PPolyproline II helixtrans-58.5153.9164.329.1-34.4000110I114P112-I114 PolarHBondContact O-N 3.24Å
113P85.4Confident83.3Confident108 Ų108109 Ų10970%0.70160%0.596SS**PPolyproline II helixtrans-58.5133.4177.125.1-33.6000110.7E115P113-E115 PolarHBondContact O-N 2.72Å
114I87Confident84Confident115 Ų115109 Ų10959%0.5960%0.595SS**  trans-81.2111.8174-57173.1000107.6P112 E116 E120P112-I114 PolarHBondContact O-N 3.24Å; I114-E116 WeakPolarHBondContact CG2-O 3.29Å; I114-E120 HydrophobicContact CG2-CG 4.29Å
115E88.6Confident84.7Confident183 Ų183107.1 Ų107.186%0.85558%0.584SS**  trans-93.3-24.6-179.1-63.7-172.3171.600113P113P113-E115 PolarHBondContact O-N 2.72Å
116E88.1Confident85.4Confident126 Ų126102.7 Ų102.759%0.58956%0.56SS**  trans-124.2122.1-176.7-64.7-177.9175.600110.3I114I114-E116 WeakPolarHBondContact CG2-O 3.29Å
117L89.6Confident86Confident101 Ų101104.4 Ų104.453%0.52957%0.568SS.*SBendtrans-85.3-12.4178.7-15976.9000112.7N119 E120 V129 L133L117-N119 PolarHBondContact O-N 3.29Å; L117-E120 HydrophobicContact CD1-CB 4.36Å; L117-E120 HydrophobicContact CD1-CG 4.09Å; L117-E120 PolarHBondContact O-N 3.2Å; L117-V129 WeakPolarHBondContact O-CG1 3.5Å; L117-L133 HydrophobicContact CB-CD1 4.11Å; L117-L133 HydrophobicContact CB-CD2 4.45Å; L117-L133 HydrophobicContact CD2-CD1 4.4Å; L117-L133 HydrophobicContact CD2-CD2 3.9Å; L117-L133 HydrophobicContact CD2-CG 4.49Å
118D88Confident86.6Confident75 Ų75104.3 Ų104.340%0.40156%0.562SS.*THydrogen-bonded Turntrans-62.1-20.1-172.1-68.3-58.8000113.7I126 L133D118-I126 WeakPolarHBondContact O-CD1 3.34Å; D118-L133 WeakPolarHBondContact OD1-CD1 3.26Å
119N87.9Confident87.1Confident104 Ų10497.6 Ų97.656%0.55653%0.531SS*.THydrogen-bonded Turntrans-1085.5-176.2-55.8-49.7000113.4L117 D121L117-N119 PolarHBondContact O-N 3.29Å; N119-D121 VanDerWaalsContact C-N 3.33Å; N119-D121 PolarHBondContact O-N 2.79Å
120E89.1Confident87.7Confident77 Ų7799.4 Ų99.436%0.3653%0.532SS..  trans-84.771.2-178-66.6-60147.200111.7I114 L117I114-E120 HydrophobicContact CG2-CG 4.29Å; L117-E120 HydrophobicContact CD1-CB 4.36Å; L117-E120 HydrophobicContact CD1-CG 4.09Å; L117-E120 PolarHBondContact O-N 3.2Å
121D90.3Very high88.3Confident83 Ų8399.8 Ų99.844%0.44453%0.531SS..  trans-106.96.2-172.572.9-18.2000114.9N119 F123 C124 I126N119-D121 VanDerWaalsContact C-N 3.33Å; N119-D121 PolarHBondContact O-N 2.79Å; D121-F123 PolarHBondContact O-N 3.12Å; D121-C124 CarbonylContact C-O 3.54Å; D121-C124 WeakPolarHBondContact CA-O 3.49Å; D121-C124 WeakPolarHBondContact CB-O 3.19Å; D121-C124 PolarHBondContact O-N 3.15Å; D121-I126 HydrophobicContact CB-CB 4.01Å; D121-I126 HydrophobicContact CB-CD1 4.07Å
122I88.2Confident88.7Confident129 Ų129100.7 Ų100.766%0.66253%0.525SS*.SBendtrans-59.1-38.2-178-61176.8000111.6
123F85.6Confident89Confident205 Ų20597 Ų9790%0.89950%0.499SS*.SBendtrans-1182.1-176.7-57-73.2000113.7D121D121-F123 PolarHBondContact O-N 3.12Å
124C85Confident89.3Confident54 Ų5497.1 Ų97.137%0.36549%0.493SS..SBendtrans-144.1141.5-177.7-170.10000109.9D121 I126 V129D121-C124 CarbonylContact C-O 3.54Å; D121-C124 WeakPolarHBondContact CA-O 3.49Å; D121-C124 WeakPolarHBondContact CB-O 3.19Å; D121-C124 PolarHBondContact O-N 3.15Å; C124-I126 PolarHBondContact O-N 2.95Å; C124-V129 HydrophobicContact CB-CG2 3.78Å
125S89.3Confident89.4Confident59 Ų59100.8 Ų100.841%0.41350%0.501SS..  trans-57.6129174173.40000110.4H127 L128 V129S125-H127 PolarHBondContact O-N 3.14Å; S125-H127 PolarHBondContact OG-N 3.09Å; S125-L128 WeakPolarHBondContact O-CB 3.49Å; S125-L128 PolarHBondContact O-N 2.78Å; S125-V129 PolarHBondContact O-N 3.11Å
126I91.7Very high89.5Confident48 Ų4899.6 Ų99.625%0.24649%0.493CS..Hα-helixtrans-49.7-36.3175.9-171.264.4000112.4D118 D121 C124 V129 Q130D118-I126 WeakPolarHBondContact O-CD1 3.34Å; D121-I126 HydrophobicContact CB-CB 4.01Å; D121-I126 HydrophobicContact CB-CD1 4.07Å; C124-I126 PolarHBondContact O-N 2.95Å; I126-V129 PolarHBondContact O-N 3.18Å; I126-Q130 WeakPolarHBondContact O-CB 3.41Å; I126-Q130 VanDerWaalsContact O-CG 3.31Å; I126-Q130 WeakPolarHBondContact O-CG 3.47Å; I126-Q130 PolarHBondContact O-N 2.92Å
127H90Very high89.2Confident137 Ų13799.7 Ų99.763%0.63450%0.502SS*.Hα-helixtrans-65-40.5177.6-66.3-56.9000112.6S125 E131S125-H127 PolarHBondContact O-N 3.14Å; S125-H127 PolarHBondContact OG-N 3.09Å; H127-E131 VanDerWaalsContact O-CB 3.28Å; H127-E131 WeakPolarHBondContact O-CB 3.08Å; H127-E131 PolarHBondContact O-N 3.16Å
128L91.8Very high87.5Confident93 Ų93108.2 Ų108.249%0.48753%0.527SS..Hα-helixtrans-71.7-39.5178.2-70174.6000111.3S125 E131 V132S125-L128 WeakPolarHBondContact O-CB 3.49Å; S125-L128 PolarHBondContact O-N 2.78Å; L128-E131 PolarHBondContact O-N 3.21Å; L128-V132 WeakPolarHBondContact O-CB 3.47Å; L128-V132 VanDerWaalsContact O-CG2 3.3Å; L128-V132 WeakPolarHBondContact O-CG2 3.45Å; L128-V132 PolarHBondContact O-N 3.48Å
129V89.8Confident87.4Confident17 Ų17109.9 Ų109.910%0.10353%0.533CS..Hα-helixtrans-57.3-52.8175.1175.70000109.8L117 C124 S125 I126 E131 V132 L133L117-V129 WeakPolarHBondContact O-CG1 3.5Å; C124-V129 HydrophobicContact CB-CG2 3.78Å; S125-V129 PolarHBondContact O-N 3.11Å; I126-V129 PolarHBondContact O-N 3.18Å; V129-E131 PolarHBondContact O-N 3.42Å; V129-V132 PolarHBondContact O-N 2.9Å; V129-L133 HydrophobicContact CG1-CD1 3.77Å; V129-L133 HydrophobicContact CG1-CG 4.45Å; V129-L133 WeakPolarHBondContact O-CB 3.46Å; V129-L133 VanDerWaalsContact O-CG 3.27Å; V129-L133 WeakPolarHBondContact O-CG 3.25Å; V129-L133 PolarHBondContact O-N 3.17Å
130Q91Very high87.4Confident81 Ų81110.2 Ų110.238%0.37953%0.532SS..Hα-helixtrans-62.9-40.7178.8-71175.9-9.200112.6I126 L133 N134I126-Q130 WeakPolarHBondContact O-CB 3.41Å; I126-Q130 VanDerWaalsContact O-CG 3.31Å; I126-Q130 WeakPolarHBondContact O-CG 3.47Å; I126-Q130 PolarHBondContact O-N 2.92Å; Q130-L133 PolarHBondContact O-N 2.86Å; Q130-N134 VanDerWaalsContact O-CB 3.22Å; Q130-N134 WeakPolarHBondContact O-CB 3.42Å; Q130-N134 PolarHBondContact O-N 2.73Å; Q130-N134 PolarHBondContact O-ND2 3.06Å
131E91.2Very high87.3Confident131 Ų131112 Ų11261%0.61254%0.542SS*.Hα-helixtrans-61.6-47.6177.9-175.8175.6178.400111.6H127 L128 V129 N134 Y135H127-E131 VanDerWaalsContact O-CB 3.28Å; H127-E131 WeakPolarHBondContact O-CB 3.08Å; H127-E131 PolarHBondContact O-N 3.16Å; L128-E131 PolarHBondContact O-N 3.21Å; V129-E131 PolarHBondContact O-N 3.42Å; E131-N134 PolarHBondContact O-N 2.91Å; E131-Y135 WeakPolarHBondContact O-CB 3.48Å; E131-Y135 PolarHBondContact O-N 3.44Å
132V90.9Very high87.2Confident76 Ų76113.7 Ų113.746%0.46155%0.547SS..Hα-helixtrans-65.6-41.5179172.10000111.3L128 V129 Y135 K136L128-V132 WeakPolarHBondContact O-CB 3.47Å; L128-V132 VanDerWaalsContact O-CG2 3.3Å; L128-V132 WeakPolarHBondContact O-CG2 3.45Å; L128-V132 PolarHBondContact O-N 3.48Å; V129-V132 PolarHBondContact O-N 2.9Å; V132-Y135 PolarHBondContact O-N 3.32Å; V132-K136 HydrophobicContact CG1-CD 4.42Å; V132-K136 WeakPolarHBondContact O-CG 2.89Å; V132-K136 PolarHBondContact O-N 2.79Å
133L91.3Very high87.1Confident36 Ų36112.8 Ų112.819%0.18854%0.54CS..Hα-helixtrans-64.2-46.6176.9-73175.3000111.2L117 D118 V129 Q130 Y135 K136 V137L117-L133 HydrophobicContact CB-CD1 4.11Å; L117-L133 HydrophobicContact CB-CD2 4.45Å; L117-L133 HydrophobicContact CD2-CD1 4.4Å; L117-L133 HydrophobicContact CD2-CD2 3.9Å; L117-L133 HydrophobicContact CD2-CG 4.49Å; D118-L133 WeakPolarHBondContact OD1-CD1 3.26Å; V129-L133 HydrophobicContact CG1-CD1 3.77Å; V129-L133 HydrophobicContact CG1-CG 4.45Å; V129-L133 WeakPolarHBondContact O-CB 3.46Å; V129-L133 VanDerWaalsContact O-CG 3.27Å; V129-L133 WeakPolarHBondContact O-CG 3.25Å; V129-L133 PolarHBondContact O-N 3.17Å; Q130-L133 PolarHBondContact O-N 2.86Å; L133-Y135 VanDerWaalsContact C-N 3.26Å; L133-Y135 PolarHBondContact O-N 2.89Å; L133-K136 PolarHBondContact O-N 2.7Å; L133-K136 VanDerWaalsContact O-N 3.16Å; L133-V137 WeakPolarHBondContact O-CG2 3.18Å; L133-V137 PolarHBondContact O-N 2.81Å; L133-V137 VanDerWaalsContact O-N 3.07Å
134N89.9Confident87.2Confident110 Ų110106.6 Ų106.659%0.58852%0.516SS*.Hα-helixtrans-60.5-34.9175.3-77.2-44000112.7Q130 E131Q130-N134 VanDerWaalsContact O-CB 3.22Å; Q130-N134 WeakPolarHBondContact O-CB 3.42Å; Q130-N134 PolarHBondContact O-N 2.73Å; Q130-N134 PolarHBondContact O-ND2 3.06Å; E131-N134 PolarHBondContact O-N 2.91Å
135Y91.1Very high87.3Confident191 Ų191110.4 Ų110.475%0.74953%0.527SS*.Hα-helixtrans-68.6-40.3175.6-172.5-94.2000112.2E131 V132 L133E131-Y135 WeakPolarHBondContact O-CB 3.48Å; E131-Y135 PolarHBondContact O-N 3.44Å; V132-Y135 PolarHBondContact O-N 3.32Å; L133-Y135 VanDerWaalsContact C-N 3.26Å; L133-Y135 PolarHBondContact O-N 2.89Å
136K88.9Confident87.2Confident158 Ų158114.3 Ų114.369%0.68754%0.536SS*.Hα-helixtrans-75.6-26.2-178.8-75.9-177.4178178.70114.7V132 L133 R138V132-K136 HydrophobicContact CG1-CD 4.42Å; V132-K136 WeakPolarHBondContact O-CG 2.89Å; V132-K136 PolarHBondContact O-N 2.79Å; L133-K136 PolarHBondContact O-N 2.7Å; L133-K136 VanDerWaalsContact O-N 3.16Å; K136-R138 PolarHBondContact O-N 2.96Å
137V82.5Confident86.8Confident128 Ų128119.8 Ų119.878%0.77656%0.56SS**THydrogen-bonded Turntrans-75.1-15.7178.4173.50000111.9L133L133-V137 WeakPolarHBondContact O-CG2 3.18Å; L133-V137 PolarHBondContact O-N 2.81Å; L133-V137 VanDerWaalsContact O-N 3.07Å
138R53.5Low86.5Confident280 Ų280118.3 Ų118.3100%1.05755%0.553SS**  trans-94.90174.8-71.1-175.9176.2-176.71.1112.2K136K136-R138 PolarHBondContact O-N 2.96Å

Retrieved 138 of 138 residues in 227.9 ms (Link to these results)