A0A5K4FES2_SCHMA Loading...

Chromosome transmission fidelity protein 8

AlphaFold DB , UniProt , Accession A0A5K4FES2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 147 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
1M33.1Very low33.7Very low245 Ų245130.3 Ų130.3100%1.20769%0.686SS**  0102.50-82.6164.9117.700107.5E3M1-E3 PolarHBondContact O-N 2.93Å
2S33.2Very low34.5Very low99 Ų99134.8 Ų134.869%0.69270%0.696SS**  trans-83.698.2175.540.80000108.6H4S2-H4 PolarHBondContact O-N 3.35Å; S2-H4 PolarHBondContact O-ND1 3.06Å; S2-H4 VanDerWaalsContact O-ND1 3.12Å
3E30.2Very low35.2Very low185 Ų185128.8 Ų128.886%0.86467%0.665SS**  trans-57.9113.3168.2-73-176.3166.100108.6M1 K5M1-E3 PolarHBondContact O-N 2.93Å; E3-K5 PolarHBondContact O-N 3.12Å
4H32.1Very low35.9Very low156 Ų156123.1 Ų123.172%0.72264%0.636SS**  trans-67.399.5174.6-78.832.7000108S2 Y6S2-H4 PolarHBondContact O-N 3.35Å; S2-H4 PolarHBondContact O-ND1 3.06Å; S2-H4 VanDerWaalsContact O-ND1 3.12Å; H4-Y6 PolarHBondContact O-N 2.86Å; H4-Y6 VanDerWaalsContact O-N 3.13Å
5K29.9Very low36.5Very low204 Ų204126.6 Ų126.689%0.88765%0.645SS**  trans-76.197.8-179.7-157.5175.7-171.3179.10108.3E3E3-K5 PolarHBondContact O-N 3.12Å
6Y30.2Very low37.3Very low124 Ų124126.1 Ų126.149%0.48664%0.644SS.*  trans-53.7137.8173.9-73-89000110.5H4 S8 Q81H4-Y6 PolarHBondContact O-N 2.86Å; H4-Y6 VanDerWaalsContact O-N 3.13Å; Y6-S8 PolarHBondContact O-N 3.06Å; Y6-Q81 PolarHBondContact OH-O 3.5Å
7P30.6Very low38.3Very low78 Ų78120.1 Ų120.151%0.50661%0.613SS.*  trans-57.4125.8174.9-19.429.8000110S9 L10P7-S9 PolarHBondContact O-N 2.89Å; P7-L10 HydrophobicContact CB-CD1 4.25Å; P7-L10 HydrophobicContact CG-CD1 4.13Å; P7-L10 PolarHBondContact O-N 3.23Å
8S37.4Very low39.8Very low107 Ų107115.8 Ų115.875%0.74860%0.603SS**THydrogen-bonded Turntrans-58.8-20.6-170.244.80000115.1Y6Y6-S8 PolarHBondContact O-N 3.06Å
9S39.1Very low41.7Very low108 Ų108115.9 Ų115.976%0.75560%0.596SS**THydrogen-bonded Turntrans-81.1-8.2177.752.90000114.5P7P7-S9 PolarHBondContact O-N 2.89Å
10L36Very low43.7Very low45 Ų45116.8 Ų116.824%0.23659%0.591CS.*SBendtrans-96.8-10.4179.4-75.6164.1000114P7 K12 L13 D14 R128P7-L10 HydrophobicContact CB-CD1 4.25Å; P7-L10 HydrophobicContact CG-CD1 4.13Å; P7-L10 PolarHBondContact O-N 3.23Å; L10-K12 VanDerWaalsContact C-N 3.31Å; L10-K12 PolarHBondContact O-N 3.31Å; L10-K12 VanDerWaalsContact O-N 3.09Å; L10-L13 PolarHBondContact O-N 2.95Å; L10-D14 PolarHBondContact O-N 3.13Å; L10-R128 VanDerWaalsContact CD2-NH2 3.27Å
11N39Very low45.6Very low82 Ų82117.9 Ų117.944%0.43959%0.592SS.*THydrogen-bonded Turntrans-69.4-12.4-162.4-79.9-26.8000117.4
12K43.8Very low48.1Very low185 Ų185107.7 Ų107.780%0.80454%0.543SS*.THydrogen-bonded Turntrans-102.7-30.7-179.8-147176.8-176.5-1720113.3L10L10-K12 VanDerWaalsContact C-N 3.31Å; L10-K12 PolarHBondContact O-N 3.31Å; L10-K12 VanDerWaalsContact O-N 3.09Å
13L43.2Very low50.6Low57 Ų57109.2 Ų109.230%0.29854%0.539SS..Hα-helixtrans-81.4-35.4179.5-165.366.2000111.2L10 I17 L53L10-L13 PolarHBondContact O-N 2.95Å; L13-I17 HydrophobicContact CD1-CD1 3.74Å; L13-I17 HydrophobicContact CD1-CG1 4.24Å; L13-I17 HydrophobicContact CD2-CD1 4.21Å; L13-I17 HydrophobicContact CG-CD1 3.52Å; L13-I17 HydrophobicContact CG-CG1 4.35Å; L13-I17 WeakPolarHBondContact O-CD1 3.25Å; L13-I17 VanDerWaalsContact O-CG1 3.24Å; L13-I17 WeakPolarHBondContact O-CG1 3.22Å; L13-I17 PolarHBondContact O-N 3.43Å; L13-L53 HydrophobicContact CD2-CD1 4.38Å; L13-L53 HydrophobicContact CD2-CD2 4.38Å
14D45.2Very low53Low48 Ų48102.3 Ų102.326%0.25751%0.507SS..Hα-helixtrans-74.8-26.3-174-82-15.9000114.8L10L10-D14 PolarHBondContact O-N 3.13Å
15K44.9Very low55.1Low176 Ų17699.9 Ų99.977%0.76550%0.503SS*.Hα-helixtrans-79.1-31179.9-69.4-169.6179.1-175.20113.4
16D49.7Very low57.1Low119 Ų11996.3 Ų96.364%0.63649%0.49SS*.Hα-helixtrans-97.6-15.2-170.5-81.3-12.1000114.3R20D16-R20 PolarHBondContact O-NH2 2.83Å
17I53.3Low58.8Low24 Ų2496 Ų9612%0.12350%0.503CS..Hα-helixtrans-76.5-39.4-178.6-58.3166.8000111.4L13 Y19 R20 L53 F79L13-I17 HydrophobicContact CD1-CD1 3.74Å; L13-I17 HydrophobicContact CD1-CG1 4.24Å; L13-I17 HydrophobicContact CD2-CD1 4.21Å; L13-I17 HydrophobicContact CG-CD1 3.52Å; L13-I17 HydrophobicContact CG-CG1 4.35Å; L13-I17 WeakPolarHBondContact O-CD1 3.25Å; L13-I17 VanDerWaalsContact O-CG1 3.24Å; L13-I17 WeakPolarHBondContact O-CG1 3.22Å; L13-I17 PolarHBondContact O-N 3.43Å; I17-Y19 PolarHBondContact O-N 3.19Å; I17-R20 HydrophobicContact CG2-CG 4.17Å; I17-R20 WeakPolarHBondContact O-CG 3.26Å; I17-R20 PolarHBondContact O-NE 3.35Å; I17-R20 VanDerWaalsContact O-NE 3.11Å; I17-L53 HydrophobicContact CD1-CD1 3.87Å; I17-F79 HydrophobicContact CB-CD2 4.27Å; I17-F79 HydrophobicContact CB-CE2 3.98Å; I17-F79 HydrophobicContact CB-CZ 4.44Å; I17-F79 HydrophobicContact CD1-CE2 4.49Å; I17-F79 HydrophobicContact CD1-CZ 4.12Å; I17-F79 HydrophobicContact CG2-CD2 3.88Å; I17-F79 HydrophobicContact CG2-CE2 3.26Å; I17-F79 HydrophobicContact CG2-CZ 3.92Å
18G66.6Low60.2Low42 Ų4298.7 Ų98.743%0.43350%0.504SS..  trans46-137.2174.800000113.9
19Y75Confident61.1Low118 Ų118102.1 Ų102.146%0.46350%0.502SS..SBendtrans-87.6133.9169.6162.2-102.9000110.4I17 D76 L77 H78I17-Y19 PolarHBondContact O-N 3.19Å; Y19-D76 HydrophobicContact CE2-CB 3.81Å; Y19-D76 VanDerWaalsContact CE2-OD1 3.25Å; Y19-D76 WeakPolarHBondContact CE2-OD1 3.37Å; Y19-D76 PolarHBondContact OH-OD1 3.31Å; Y19-L77 WeakPolarHBondContact CA-O 3.2Å; Y19-H78 AromaticContact CD2-CE1 3.26Å; Y19-H78 WeakPolarHBondContact CD2-CE1 3.24Å; Y19-H78 AromaticContact CD2-ND1 3.86Å; Y19-H78 AromaticContact CD2-NE2 3.37Å; Y19-H78 WeakPolarHBondContact CD2-NE2 3.35Å; Y19-H78 AromaticContact CE2-CE1 3.9Å; Y19-H78 AromaticContact CE2-NE2 3.66Å
20R81.9Confident62.1Low133 Ų133105.7 Ų105.750%0.50250%0.504SS..EExtended strand (participates in β ladder)trans-134.2127.7172.2-61.9-66176.3-166.70.6111D16 I17 L22 L77D16-R20 PolarHBondContact O-NH2 2.83Å; I17-R20 HydrophobicContact CG2-CG 4.17Å; I17-R20 WeakPolarHBondContact O-CG 3.26Å; I17-R20 PolarHBondContact O-NE 3.35Å; I17-R20 VanDerWaalsContact O-NE 3.11Å; R20-L22 HydrophobicContact CB-CD2 4.39Å; R20-L77 PolarHBondContact N-O 3.37Å; R20-L77 PolarHBondContact O-N 3.44Å
21K84.3Confident63.3Low140 Ų140104.9 Ų104.961%0.60950%0.501SS*.EExtended strand (participates in β ladder)trans-78.8122.5164.5-171.4169.9-174.41740108.8N73K21-N73 WeakPolarHBondContact CE-ND2 3.46Å; K21-N73 WeakPolarHBondContact CG-ND2 3.29Å
22L85.4Confident64.4Low32 Ų32106.2 Ų106.217%0.16852%0.517CS..EExtended strand (participates in β ladder)trans-95.4134.1-178.6-60.2-177.7000110.8R20 I55 N73 L74 G75 L77 L88R20-L22 HydrophobicContact CB-CD2 4.39Å; L22-I55 HydrophobicContact CD1-CD1 3.6Å; L22-N73 WeakPolarHBondContact O-CA 3.4Å; L22-N73 PolarHBondContact O-ND2 2.9Å; L22-L74 HydrophobicContact CB-CB 4.14Å; L22-L74 HydrophobicContact CB-CD2 4.46Å; L22-L74 HydrophobicContact CD1-CD2 4.28Å; L22-L74 PolarHBondContact O-N 3.37Å; L22-G75 PolarHBondContact N-O 2.93Å; L22-L77 HydrophobicContact CD1-CB 4.03Å; L22-L77 HydrophobicContact CD1-CD2 4.49Å; L22-L77 HydrophobicContact CG-CB 4.16Å; L22-L88 HydrophobicContact CD1-CD1 3.81Å
23E84.9Confident65.4Low131 Ų131101.9 Ų101.961%0.61251%0.509SS*.EExtended strand (participates in β ladder)trans-116.7139.2172.2-173.8177.816900109.1V25 G71E23-V25 PolarHBondContact O-N 2.76Å; E23-G71 WeakPolarHBondContact OE1-CA 3.32Å
24I80.6Confident66.5Low39 Ų39104.6 Ų104.620%0.252%0.519CS..  trans-82.4111.9177.1-55.8173.9000107.5V61 L69 E70 G71 K72 L74I24-V61 HydrophobicContact CD1-CG1 4.36Å; I24-L69 WeakPolarHBondContact CB-O 3.25Å; I24-L69 HydrophobicContact CD1-CB 3.75Å; I24-L69 HydrophobicContact CD1-CD1 4.29Å; I24-L69 HydrophobicContact CD1-CD2 4.15Å; I24-L69 HydrophobicContact CD1-CG 4.29Å; I24-L69 HydrophobicContact CG2-CB 4.2Å; I24-E70 CarbonylContact O-C 3.59Å; I24-G71 PolarHBondContact O-N 2.85Å; I24-K72 PolarHBondContact N-O 3.11Å; I24-L74 HydrophobicContact CD1-CB 4.16Å; I24-L74 HydrophobicContact CD1-CD1 3.96Å; I24-L74 HydrophobicContact CG1-CB 3.81Å; I24-L74 HydrophobicContact CG1-CD1 4.36Å; I24-L74 HydrophobicContact CG1-CG 4.5Å
25V77.3Confident67.4Low105 Ų105105.9 Ų105.964%0.63653%0.53SS*.PPolyproline II helixtrans-83.9164.2173-61.60000110.8E23E23-V25 PolarHBondContact O-N 2.76Å
26E70.5Confident68.2Low129 Ų129102.6 Ų102.660%0.60353%0.529SS*.PPolyproline II helixtrans-48.3138.6173.4-77.6-175170.400111.7E70E26-E70 HydrophobicContact CG-CG 3.78Å; E26-E70 WeakPolarHBondContact CG-OE1 3.5Å
27P66Low69.1Low117 Ų117104.8 Ų104.876%0.7654%0.541SS*.PPolyproline II helixtrans-68.4138179.827.7-33.4000111.6Y29P27-Y29 PolarHBondContact O-N 3.23Å
28Y60.6Low70.1Confident135 Ų135107.4 Ų107.453%0.52955%0.554SS.*PPolyproline II helixtrans-71.2121.3169.8-77.6-89.4000110.6W52 V108Y28-W52 HydrophobicContact CE2-CH2 4.25Å; Y28-W52 HydrophobicContact CE2-CZ3 4.06Å; Y28-W52 WeakPolarHBondContact OH-CH2 3.48Å; Y28-V108 HydrophobicContact CE1-CG1 4.48Å
29Y55.6Low70.7Confident180 Ų180113 Ų11371%0.70657%0.572SS**PPolyproline II helixtrans-67.1129-177.4-174.4-97.5000112.7P27P27-Y29 PolarHBondContact O-N 3.23Å
30K61.2Low71.2Confident183 Ų183109.2 Ų109.280%0.79656%0.56SS**PPolyproline II helixtrans-88.9121.1169.4-176.6-177177.5-176.10109.7S32K30-S32 PolarHBondContact O-N 3.45Å
31P59.7Low71.5Confident28 Ų28105.6 Ų105.618%0.18255%0.553CS.*PPolyproline II helixtrans-59136.1174.5-22.933.9000111.9F34 Y120P31-F34 HydrophobicContact CB-CE1 4.32Å; P31-F34 HydrophobicContact CB-CE2 4.19Å; P31-F34 HydrophobicContact CB-CZ 3.89Å; P31-F34 HydrophobicContact CG-CE1 4.34Å; P31-F34 HydrophobicContact CG-CE2 4.35Å; P31-F34 HydrophobicContact CG-CZ 3.75Å; P31-Y120 WeakPolarHBondContact CG-OH 3.31Å
32S63.7Low71.7Confident110 Ų110103.6 Ų103.677%0.76955%0.548SS*.SBendtrans-72.4-26.6-174.6490000114.1K30K30-S32 PolarHBondContact O-N 3.45Å
33S64.5Low71.9Confident93 Ų93106 Ų10665%0.6556%0.558SS**  trans-157.5145.2174.957.50000111
34F65.3Low72.1Confident114 Ų114102.2 Ų102.250%0.555%0.554SS.*  trans-111.2127.1166.2-70.4-75.4000107.7P31 S36 I40 L118P31-F34 HydrophobicContact CB-CE1 4.32Å; P31-F34 HydrophobicContact CB-CE2 4.19Å; P31-F34 HydrophobicContact CB-CZ 3.89Å; P31-F34 HydrophobicContact CG-CE1 4.34Å; P31-F34 HydrophobicContact CG-CE2 4.35Å; P31-F34 HydrophobicContact CG-CZ 3.75Å; F34-S36 PolarHBondContact O-N 2.85Å; F34-I40 HydrophobicContact CD1-CD1 3.46Å; F34-I40 VanDerWaalsContact CD1-CD1 3.46Å; F34-I40 HydrophobicContact CE1-CD1 3.37Å; F34-L118 HydrophobicContact CE1-CD2 4.45Å
35P64.7Low72.3Confident76 Ų76103.5 Ų103.549%0.49457%0.565SS.*  trans-62.4133.8170.820.2-24.2000109.5N37 M38P35-N37 PolarHBondContact O-N 2.87Å; P35-M38 HydrophobicContact CG-CB 3.98Å; P35-M38 HydrophobicContact CG-CE 4.2Å; P35-M38 HydrophobicContact CG-SD 3.71Å; P35-M38 PolarHBondContact O-N 2.77Å
36S61.3Low72.6Confident107 Ų107107.4 Ų107.475%0.74858%0.583SS**THydrogen-bonded Turntrans-60.3128.717147.40000108.2F34F34-S36 PolarHBondContact O-N 2.85Å
37N68.7Low73.4Confident164 Ų164104 Ų10488%0.87758%0.582SS**THydrogen-bonded Turntrans89.115.5179.9-42.2-27.1000117.1P35P35-N37 PolarHBondContact O-N 2.87Å
38M74.5Confident74.3Confident79 Ų79107.6 Ų107.639%0.38959%0.588SS.*  trans-92.4120.5172.7-165.8168.183.100112P35 I40 L118P35-M38 HydrophobicContact CG-CB 3.98Å; P35-M38 HydrophobicContact CG-CE 4.2Å; P35-M38 HydrophobicContact CG-SD 3.71Å; P35-M38 PolarHBondContact O-N 2.77Å; M38-I40 HydrophobicContact CE-CD1 3.61Å; M38-I40 HydrophobicContact CE-CG1 3.56Å; M38-I40 HydrophobicContact CG-CG1 4.3Å; M38-L118 HydrophobicContact CE-CB 4.24Å; M38-L118 HydrophobicContact CE-CD2 3.27Å; M38-L118 HydrophobicContact CE-CG 4.26Å
39I79.8Confident75.6Confident159 Ų159103.8 Ų103.882%0.81558%0.579SS**  trans-78.7122.2166.1-62.6172.8000107.2
40I84.6Confident77.2Confident40 Ų40100.4 Ų100.421%0.20557%0.573CS.*  trans-107.7113.7177.8-58.9178000107.5F34 M38 I42 L118 Y120F34-I40 HydrophobicContact CD1-CD1 3.46Å; F34-I40 VanDerWaalsContact CD1-CD1 3.46Å; F34-I40 HydrophobicContact CE1-CD1 3.37Å; M38-I40 HydrophobicContact CE-CD1 3.61Å; M38-I40 HydrophobicContact CE-CG1 3.56Å; M38-I40 HydrophobicContact CG-CG1 4.3Å; I40-I42 PolarHBondContact O-N 3.44Å; I40-L118 HydrophobicContact CD1-CD2 3.97Å; I40-L118 HydrophobicContact CG1-CD2 4.47Å; I40-Y120 HydrophobicContact CG2-CD2 3.49Å; I40-Y120 VanDerWaalsContact CG2-CD2 3.49Å; I40-Y120 HydrophobicContact CG2-CE2 3.81Å
41P87.9Confident78.5Confident57 Ų5796.5 Ų96.537%0.3756%0.558SS.*  trans-61.5129.8173.8-20.132.3000110.2Q119 Y120P41-Q119 HydrophobicContact CB-CB 4.18Å; P41-Q119 HydrophobicContact CG-CB 4.42Å; P41-Q119 WeakPolarHBondContact O-CA 3.39Å; P41-Y120 PolarHBondContact O-N 3.36Å
42I89.7Confident80.1Confident97 Ų9799.8 Ų99.850%0.49757%0.567SS.*EExtended strand (participates in β ladder)trans-117.1113.8171.5-61.6175.2000106.9I40 Y120 V122I40-I42 PolarHBondContact O-N 3.44Å; I42-Y120 CarbonylContact C-O 3.55Å; I42-Y120 VanDerWaalsContact CA-O 3.27Å; I42-Y120 WeakPolarHBondContact CA-O 3.01Å; I42-V122 HydrophobicContact CG2-CG2 3.49Å; I42-V122 VanDerWaalsContact CG2-CG2 3.49Å
43H89.4Confident81.4Confident84 Ų8497.1 Ų97.139%0.38954%0.544SS..EExtended strand (participates in β ladder)trans-93126.2-179.7-59.6-71000109.9Q119 Y120 D121 V122H43-Q119 PolarHBondContact NE2-OE1 3.23Å; H43-Q119 VanDerWaalsContact NE2-OE1 3.09Å; H43-Y120 PolarHBondContact N-O 3.09Å; H43-D121 IonicContact CD2-OD1 3.61Å; H43-D121 IonicContact CG-OD1 3.99Å; H43-D121 CarbonylContact O-C 3.55Å; H43-D121 WeakPolarHBondContact O-CA 3.34Å; H43-V122 PolarHBondContact O-N 2.82Å
44G87.8Confident82.7Confident51 Ų5195.1 Ų95.153%0.52652%0.524SS..PPolyproline II helixtrans-84.2159.8169.300000111.2
45P85.7Confident84.1Confident65 Ų6592.6 Ų92.642%0.42252%0.515SS..PPolyproline II helixtrans-66.7154168.530-34.2000110.8G47 V49P45-G47 PolarHBondContact O-N 2.78Å; P45-G47 VanDerWaalsContact O-N 3.09Å; P45-V49 HydrophobicContact CG-CB 4.16Å
46D83.9Confident85.5Confident188 Ų18892.6 Ų92.6100%1.00551%0.509SS*.SBendtrans-68-4.1176.2-65.4-40.5000113.8
47G85.9Confident87Confident57 Ų5789.9 Ų89.959%0.58849%0.486SS*.SBendtrans-140.7-145-175.700000112.9P45P45-G47 PolarHBondContact O-N 2.78Å; P45-G47 VanDerWaalsContact O-N 3.09Å
48E86.4Confident88Confident192 Ų19285.7 Ų85.790%0.89746%0.461SS*.PPolyproline II helixtrans-66.5136179.8-67.9-170.9172.300111.6
49V87.5Confident88.6Confident56 Ų5684 Ų8434%0.33946%0.464SS..PPolyproline II helixtrans-87131171.163.60000109P45 V122 V125P45-V49 HydrophobicContact CG-CB 4.16Å; V49-V122 HydrophobicContact CG2-CG1 3.75Å; V49-V125 HydrophobicContact CG1-CB 4.45Å; V49-V125 HydrophobicContact CG1-CG1 3.95Å
50N88.8Confident88.9Confident108 Ų10883.3 Ų83.358%0.57846%0.462SS*.EExtended strand (participates in β ladder)trans-59.1146.6175.3-69.4-45.6000110.7S124 V125N50-S124 CarbonylContact O-C 3.56Å; N50-S124 WeakPolarHBondContact O-CA 3.39Å; N50-S124 WeakPolarHBondContact O-CB 3.45Å; N50-V125 PolarHBondContact O-N 2.89Å
51E89.1Confident89.1Confident101 Ų10183.8 Ų83.847%0.47247%0.467SS..EExtended strand (participates in β ladder)trans-103.5125.7172-172.9169.6-174.700110.3V125E51-V125 WeakPolarHBondContact CA-O 3.29Å
52W92.3Very high88.9Confident98 Ų9888 Ų8837%0.37149%0.485SS..EExtended strand (participates in β ladder)trans-108.4152.3173.8-73.810.2000110.5Y28 V108 V123 V125 I126Y28-W52 HydrophobicContact CE2-CH2 4.25Å; Y28-W52 HydrophobicContact CE2-CZ3 4.06Å; Y28-W52 WeakPolarHBondContact OH-CH2 3.48Å; W52-V108 HydrophobicContact CE3-CB 4.36Å; W52-V108 HydrophobicContact CE3-CG1 4.16Å; W52-V108 HydrophobicContact CE3-CG2 3.83Å; W52-V108 HydrophobicContact CH2-CG1 4.29Å; W52-V108 HydrophobicContact CZ3-CB 4.42Å; W52-V108 HydrophobicContact CZ3-CG1 3.73Å; W52-V108 HydrophobicContact CZ3-CG2 4.25Å; W52-V123 HydrophobicContact CH2-CG1 4.04Å; W52-V123 HydrophobicContact CZ2-CG1 3.77Å; W52-V125 PolarHBondContact N-O 3.37Å; W52-I126 HydrophobicContact CB-CG1 3.92Å; W52-I126 WeakPolarHBondContact O-CA 3.47Å
53L91Very high88.6Confident54 Ų5484.3 Ų84.328%0.28347%0.468SS..EExtended strand (participates in β ladder)trans-102.7130.3170.6-70.4173.2000109.5L13 I17 R128L13-L53 HydrophobicContact CD2-CD1 4.38Å; L13-L53 HydrophobicContact CD2-CD2 4.38Å; I17-L53 HydrophobicContact CD1-CD1 3.87Å; L53-R128 HydrophobicContact CD2-CB 3.67Å
54M92.7Very high88.2Confident50 Ų5090 Ų9025%0.24649%0.492CS..EExtended strand (participates in β ladder)trans-80.7140.1171.8179.8166.569.400110.2L102 M106 I126 R128 K129 L130M54-L102 HydrophobicContact CE-CD1 4.39Å; M54-L102 HydrophobicContact CE-CD2 3.74Å; M54-M106 HydrophobicContact CE-SD 4.39Å; M54-M106 HydrophobicContact SD-SD 4.31Å; M54-I126 HydrophobicContact CB-CD1 4.44Å; M54-I126 HydrophobicContact CB-CG2 3.79Å; M54-R128 PolarHBondContact N-O 2.89Å; M54-K129 HydrophobicContact CB-CB 3.94Å; M54-K129 HydrophobicContact CE-CB 3.89Å; M54-K129 HydrophobicContact CE-CD 3.79Å; M54-K129 HydrophobicContact CE-CG 4.44Å; M54-K129 HydrophobicContact CG-CB 4.41Å; M54-K129 CarbonylContact O-C 3.6Å; M54-K129 WeakPolarHBondContact O-CA 3.44Å; M54-K129 WeakPolarHBondContact O-CB 3.29Å; M54-L130 PolarHBondContact O-N 3.32Å
55I93.7Very high88.1Confident61 Ų6192.7 Ų92.731%0.31350%0.498SS..EExtended strand (participates in β ladder)trans-107.2125170.7-61.7-179.6000107.9L22 L57 L130 F132L22-I55 HydrophobicContact CD1-CD1 3.6Å; I55-L57 HydrophobicContact CG2-CD2 3.61Å; I55-L57 HydrophobicContact CG2-CG 3.96Å; I55-L130 HydrophobicContact CG1-CB 4.41Å; I55-L130 HydrophobicContact CG1-CD1 4.19Å; I55-L130 HydrophobicContact CG1-CG 4.49Å; I55-F132 HydrophobicContact CG2-CD2 4.16Å; I55-F132 HydrophobicContact CG2-CE2 3.99Å
56E94.8Very high87.9Confident76 Ų7697 Ų9736%0.35552%0.518SS..EExtended strand (participates in β ladder)trans-117115.9177.3-175.9177.6137.500109.2K129 L130 L131 F132E56-K129 HydrophobicContact CB-CD 4.47Å; E56-K129 IonicContact OE1-NZ 2.78Å; E56-K129 VanDerWaalsContact OE2-CD 3.24Å; E56-K129 WeakPolarHBondContact OE2-CD 3.48Å; E56-K129 WeakPolarHBondContact OE2-CE 3.04Å; E56-K129 IonicContact OE2-NZ 3.56Å; E56-K129 PolarHBondContact OE2-NZ 2.58Å; E56-L130 PolarHBondContact N-O 3Å; E56-L131 HydrophobicContact CB-CD1 4.2Å; E56-L131 HydrophobicContact CG-CD1 4Å; E56-L131 WeakPolarHBondContact OE1-CD1 3.3Å; E56-F132 WeakPolarHBondContact O-CB 3.35Å; E56-F132 PolarHBondContact O-N 3.42Å
57L93.1Very high88Confident51 Ų5189.9 Ų89.927%0.26748%0.482SS..EExtended strand (participates in β ladder)trans-105.3148-174.7-57.4178.7000111.2I55 V61 L88 I90 L95 F132I55-L57 HydrophobicContact CG2-CD2 3.61Å; I55-L57 HydrophobicContact CG2-CG 3.96Å; L57-V61 HydrophobicContact CD1-CG2 3.65Å; L57-L88 HydrophobicContact CD2-CD2 3.56Å; L57-I90 HydrophobicContact CD1-CD1 4.39Å; L57-L95 HydrophobicContact CD2-CD2 4.27Å; L57-F132 HydrophobicContact CD2-CB 4.25Å; L57-F132 HydrophobicContact CD2-CD2 3.76Å; L57-F132 HydrophobicContact CD2-CE2 4.41Å; L57-F132 HydrophobicContact CD2-CG 4.18Å
58Q89Confident88Confident75 Ų7591.9 Ų91.935%0.3549%0.485SS..SBendtrans-86.4125.2167.6-169.2-74.7-44.200109.8F132Q58-F132 VanDerWaalsContact CB-O 3.3Å; Q58-F132 WeakPolarHBondContact CB-O 3.49Å; Q58-F132 PolarHBondContact N-O 3.01Å; Q58-F132 VanDerWaalsContact N-O 3.16Å
59G87.4Confident88Confident44 Ų4485.2 Ų85.245%0.45446%0.455SS..SBendtrans87.1-169.5178.600000113.3
60D87.2Confident88Confident145 Ų14587.4 Ų87.478%0.77546%0.462SS*.  trans-98.8140.2-177.4-55.9-58.1000111.2L62D60-L62 HydrophobicContact CB-CD2 4.12Å; D60-L62 HydrophobicContact CB-CG 4.07Å
61V87.2Confident87.8Confident50 Ų5084.5 Ų84.530%0.30346%0.457SS..  trans-87.7119.1165.6-178.60000107I24 L57 L69 L74I24-V61 HydrophobicContact CD1-CG1 4.36Å; L57-V61 HydrophobicContact CD1-CG2 3.65Å; V61-L69 HydrophobicContact CB-CD1 4.14Å; V61-L69 HydrophobicContact CG1-CD1 3.82Å; V61-L69 HydrophobicContact CG1-CD2 4.2Å; V61-L69 WeakPolarHBondContact O-CD1 3.18Å; V61-L74 HydrophobicContact CG1-CD1 3.68Å; V61-L74 HydrophobicContact CG2-CD1 4.04Å
62L84.7Confident87.7Confident144 Ų14483 Ų8375%0.75445%0.449SS*.  trans-123.6141-177.1-60.6175.2000110D60D60-L62 HydrophobicContact CB-CD2 4.12Å; D60-L62 HydrophobicContact CB-CG 4.07Å
63S84.1Confident87.6Confident21 Ų2182 Ų8215%0.14745%0.451CS..  trans-85.5140.7171.294.90000109.7T65 D66 S67S63-T65 PolarHBondContact O-N 3.01Å; S63-D66 PolarHBondContact O-N 2.63Å; S63-D66 WeakPolarHBondContact OG-CA 3.39Å; S63-D66 PolarHBondContact OG-N 2.84Å; S63-D66 VanDerWaalsContact OG-N 3.07Å; S63-S67 VanDerWaalsContact CB-O 3.31Å; S63-S67 WeakPolarHBondContact CB-O 3.47Å; S63-S67 PolarHBondContact OG-N 2.9Å; S63-S67 PolarHBondContact OG-O 2.99Å; S63-S67 PolarHBondContact OG-OG 3.22Å
64K80.3Confident87.5Confident203 Ų20380.7 Ų80.788%0.88344%0.444SS*.THydrogen-bonded Turntrans-60.3-28-179.1-69.7-174.9-179.6177.50113.3
65T84.9Confident87.5Confident108 Ų10878.5 Ų78.566%0.66344%0.435SS*.THydrogen-bonded Turntrans-107.613.9-174.850.40000112.2S63 S67S63-T65 PolarHBondContact O-N 3.01Å; T65-S67 PolarHBondContact O-N 2.95Å; T65-S67 PolarHBondContact OG1-OG 2.92Å
66D81.5Confident87.5Confident155 Ų15577.9 Ų77.983%0.82943%0.432SS*.SBendtrans54.84-176.4-154.832000116.3S63S63-D66 PolarHBondContact O-N 2.63Å; S63-D66 WeakPolarHBondContact OG-CA 3.39Å; S63-D66 PolarHBondContact OG-N 2.84Å; S63-D66 VanDerWaalsContact OG-N 3.07Å
67S86.3Confident87.5Confident38 Ų3874.6 Ų74.627%0.26642%0.417SS..  trans-63.7158171.148.10000112.8S63 T65 K72S63-S67 VanDerWaalsContact CB-O 3.31Å; S63-S67 WeakPolarHBondContact CB-O 3.47Å; S63-S67 PolarHBondContact OG-N 2.9Å; S63-S67 PolarHBondContact OG-O 2.99Å; S63-S67 PolarHBondContact OG-OG 3.22Å; T65-S67 PolarHBondContact O-N 2.95Å; T65-S67 PolarHBondContact OG1-OG 2.92Å; S67-K72 PolarHBondContact OG-NZ 2.81Å
68P87Confident87.5Confident100 Ų10075.4 Ų75.465%0.64942%0.419SS*.  trans-49.9147.9175.8-27.835.3000113K72P68-K72 WeakPolarHBondContact O-CD 3.46Å; P68-K72 WeakPolarHBondContact O-CE 3.5Å; P68-K72 PolarHBondContact O-NZ 2.84Å
69L86.4Confident87.7Confident51 Ų5173.5 Ų73.527%0.26741%0.41SS..  trans-86.7-19178.5-74.5177.3000113.1I24 V61 K72I24-L69 WeakPolarHBondContact CB-O 3.25Å; I24-L69 HydrophobicContact CD1-CB 3.75Å; I24-L69 HydrophobicContact CD1-CD1 4.29Å; I24-L69 HydrophobicContact CD1-CD2 4.15Å; I24-L69 HydrophobicContact CD1-CG 4.29Å; I24-L69 HydrophobicContact CG2-CB 4.2Å; V61-L69 HydrophobicContact CB-CD1 4.14Å; V61-L69 HydrophobicContact CG1-CD1 3.82Å; V61-L69 HydrophobicContact CG1-CD2 4.2Å; V61-L69 WeakPolarHBondContact O-CD1 3.18Å; L69-K72 VanDerWaalsContact O-CB 3.24Å; L69-K72 WeakPolarHBondContact O-CB 3.37Å; L69-K72 PolarHBondContact O-N 2.83Å; L69-K72 VanDerWaalsContact O-N 3.09Å
70E86.6Confident87.8Confident103 Ų10372.8 Ų72.848%0.48140%0.398SS..THydrogen-bonded Turntrans-54.2137.8178.2-168.5-164.7148.600112I24 E26 K72I24-E70 CarbonylContact O-C 3.59Å; E26-E70 HydrophobicContact CG-CG 3.78Å; E26-E70 WeakPolarHBondContact CG-OE1 3.5Å; E70-K72 PolarHBondContact O-N 3.5Å; E70-K72 VanDerWaalsContact O-N 3.11Å
71G85.6Confident87.7Confident46 Ų4674.5 Ų74.547%0.47440%0.401SS..THydrogen-bonded Turntrans71-1.4-178.800000114.1E23 I24E23-G71 WeakPolarHBondContact OE1-CA 3.32Å; I24-G71 PolarHBondContact O-N 2.85Å
72K87.1Confident87.7Confident70 Ų7080.2 Ų80.230%0.30443%0.425SS..  trans-86.6144.9178.7-61.3-169.4176.9168.10111I24 S67 P68 L69 E70 L74I24-K72 PolarHBondContact N-O 3.11Å; S67-K72 PolarHBondContact OG-NZ 2.81Å; P68-K72 WeakPolarHBondContact O-CD 3.46Å; P68-K72 WeakPolarHBondContact O-CE 3.5Å; P68-K72 PolarHBondContact O-NZ 2.84Å; L69-K72 VanDerWaalsContact O-CB 3.24Å; L69-K72 WeakPolarHBondContact O-CB 3.37Å; L69-K72 PolarHBondContact O-N 2.83Å; L69-K72 VanDerWaalsContact O-N 3.09Å; E70-K72 PolarHBondContact O-N 3.5Å; E70-K72 VanDerWaalsContact O-N 3.11Å; K72-L74 PolarHBondContact O-N 3.31Å
73N88.3Confident87.9Confident78 Ų7877.2 Ų77.242%0.41741%0.409SS..EExtended strand (participates in β ladder)trans-65.2117166.7178.3-121.3000109.6K21 L22 G75K21-N73 WeakPolarHBondContact CE-ND2 3.46Å; K21-N73 WeakPolarHBondContact CG-ND2 3.29Å; L22-N73 WeakPolarHBondContact O-CA 3.4Å; L22-N73 PolarHBondContact O-ND2 2.9Å; N73-G75 PolarHBondContact ND2-O 2.8Å
74L90.3Very high88.1Confident26 Ų2676.8 Ų76.814%0.13641%0.408CS..EExtended strand (participates in β ladder)trans-70.6-42.1172.5179.661.9000110L22 I24 V61 K72 I90L22-L74 HydrophobicContact CB-CB 4.14Å; L22-L74 HydrophobicContact CB-CD2 4.46Å; L22-L74 HydrophobicContact CD1-CD2 4.28Å; L22-L74 PolarHBondContact O-N 3.37Å; I24-L74 HydrophobicContact CD1-CB 4.16Å; I24-L74 HydrophobicContact CD1-CD1 3.96Å; I24-L74 HydrophobicContact CG1-CB 3.81Å; I24-L74 HydrophobicContact CG1-CD1 4.36Å; I24-L74 HydrophobicContact CG1-CG 4.5Å; V61-L74 HydrophobicContact CG1-CD1 3.68Å; V61-L74 HydrophobicContact CG2-CD1 4.04Å; K72-L74 PolarHBondContact O-N 3.31Å; L74-I90 HydrophobicContact CD1-CD1 3.91Å; L74-I90 HydrophobicContact CD1-CG1 4.44Å; L74-I90 HydrophobicContact CG-CD1 4.17Å; L74-I90 HydrophobicContact CG-CG1 4.41Å; L74-I90 WeakPolarHBondContact O-CG2 3.24Å
75G92.3Very high88.7Confident4 Ų468.8 Ų68.84%0.04138%0.375CS..EExtended strand (participates in β ladder)trans151.7-155-178.400000113.1L22 N73 F89L22-G75 PolarHBondContact N-O 2.93Å; N73-G75 PolarHBondContact ND2-O 2.8Å; G75-F89 CarbonylContact C-O 3.54Å; G75-F89 WeakPolarHBondContact CA-O 3.37Å
76D93.1Very high89.3Confident48 Ų4863.6 Ų63.626%0.25734%0.344SS..EExtended strand (participates in β ladder)trans-120.3120.9-169.4-66.8-56.3000110.9Y19 L88 F89Y19-D76 HydrophobicContact CE2-CB 3.81Å; Y19-D76 VanDerWaalsContact CE2-OD1 3.25Å; Y19-D76 WeakPolarHBondContact CE2-OD1 3.37Å; Y19-D76 PolarHBondContact OH-OD1 3.31Å; D76-L88 WeakPolarHBondContact O-CA 3.27Å; D76-F89 HydrophobicContact CB-CB 4.35Å; D76-F89 PolarHBondContact N-O 3.17Å; D76-F89 PolarHBondContact O-N 3.09Å
77L95Very high89.9Confident7 Ų757.9 Ų57.94%0.03731%0.313CS..EExtended strand (participates in β ladder)trans-100.6126.7176.2179.766.3000110Y19 R20 L22 F79 P86 L88 L130 F132Y19-L77 WeakPolarHBondContact CA-O 3.2Å; R20-L77 PolarHBondContact N-O 3.37Å; R20-L77 PolarHBondContact O-N 3.44Å; L22-L77 HydrophobicContact CD1-CB 4.03Å; L22-L77 HydrophobicContact CD1-CD2 4.49Å; L22-L77 HydrophobicContact CG-CB 4.16Å; L77-F79 HydrophobicContact CD1-CE2 4.43Å; L77-F79 HydrophobicContact CD2-CE2 3.89Å; L77-F79 HydrophobicContact CD2-CZ 4.35Å; L77-F79 HydrophobicContact CG-CE2 3.94Å; L77-P86 HydrophobicContact CD1-CB 3.94Å; L77-L88 HydrophobicContact CB-CD1 4.15Å; L77-L88 HydrophobicContact CD1-CB 4.24Å; L77-L88 HydrophobicContact CD1-CD1 4.42Å; L77-L130 HydrophobicContact CD1-CD1 4.14Å; L77-L130 HydrophobicContact CD2-CD1 3.56Å; L77-L130 HydrophobicContact CG-CD1 4.49Å; L77-F132 HydrophobicContact CD1-CZ 3.92Å
78H93.6Very high90.3Very high67 Ų6756.1 Ų56.131%0.3130%0.3SS..EExtended strand (participates in β ladder)trans-123.9163174.8-65.1-102.6000110.3Y19 P86 I87 F89Y19-H78 AromaticContact CD2-CE1 3.26Å; Y19-H78 WeakPolarHBondContact CD2-CE1 3.24Å; Y19-H78 AromaticContact CD2-ND1 3.86Å; Y19-H78 AromaticContact CD2-NE2 3.37Å; Y19-H78 WeakPolarHBondContact CD2-NE2 3.35Å; Y19-H78 AromaticContact CE2-CE1 3.9Å; Y19-H78 AromaticContact CE2-NE2 3.66Å; H78-P86 CarbonylContact O-C 3.52Å; H78-P86 WeakPolarHBondContact O-CA 3.43Å; H78-I87 HydrophobicContact CB-CB 4.48Å; H78-I87 PolarHBondContact N-O 2.88Å; H78-I87 PolarHBondContact O-N 2.94Å; H78-F89 AromaticContact CD2-CD2 3.7Å; H78-F89 AromaticContact CD2-CE2 3.74Å
79F92.9Very high90.6Very high35 Ų3554.6 Ų54.615%0.15428%0.283CS..EExtended strand (participates in β ladder)trans-121.5132.5171.2-73.8-102.1000109.2I17 L77 Q81 G84 D85 P86 V99 L130I17-F79 HydrophobicContact CB-CD2 4.27Å; I17-F79 HydrophobicContact CB-CE2 3.98Å; I17-F79 HydrophobicContact CB-CZ 4.44Å; I17-F79 HydrophobicContact CD1-CE2 4.49Å; I17-F79 HydrophobicContact CD1-CZ 4.12Å; I17-F79 HydrophobicContact CG2-CD2 3.88Å; I17-F79 HydrophobicContact CG2-CE2 3.26Å; I17-F79 HydrophobicContact CG2-CZ 3.92Å; L77-F79 HydrophobicContact CD1-CE2 4.43Å; L77-F79 HydrophobicContact CD2-CE2 3.89Å; L77-F79 HydrophobicContact CD2-CZ 4.35Å; L77-F79 HydrophobicContact CG-CE2 3.94Å; F79-Q81 PolarHBondContact O-N 2.83Å; F79-G84 WeakPolarHBondContact CD1-O 3.49Å; F79-D85 WeakPolarHBondContact CA-O 3.44Å; F79-P86 HydrophobicContact CD1-CB 4.33Å; F79-P86 HydrophobicContact CE1-CB 3.93Å; F79-P86 HydrophobicContact CZ-CB 4.1Å; F79-V99 HydrophobicContact CE1-CG2 4.03Å; F79-L130 HydrophobicContact CE1-CD2 4.24Å; F79-L130 HydrophobicContact CZ-CD1 4.08Å; F79-L130 HydrophobicContact CZ-CD2 4.05Å
80S88.5Confident90.9Very high29 Ų2954 Ų5420%0.20328%0.28CS..  trans-64.8129175.9175.50000110.1E82 N83 G84 D85S80-E82 PolarHBondContact O-N 3.47Å; S80-E82 PolarHBondContact OG-N 3.41Å; S80-N83 VanDerWaalsContact CB-OD1 3.25Å; S80-N83 WeakPolarHBondContact CB-OD1 3.09Å; S80-N83 PolarHBondContact OG-OD1 2.96Å; S80-G84 VanDerWaalsContact O-CA 3.22Å; S80-G84 WeakPolarHBondContact O-CA 3.06Å; S80-G84 PolarHBondContact O-N 3.3Å; S80-D85 PolarHBondContact N-O 2.74Å
81Q85.3Confident91Very high181 Ų18152.4 Ų52.485%0.84629%0.292SS*.THydrogen-bonded Turntrans-67.2-26.6175.4-65.2-174.4-0.300112.4Y6 F79Y6-Q81 PolarHBondContact OH-O 3.5Å; F79-Q81 PolarHBondContact O-N 2.83Å
82E87.8Confident91.2Very high171 Ų17157.1 Ų57.180%0.79930%0.301SS*.THydrogen-bonded Turntrans-68.3-43.4-177.1-174.9-177.5168.800112S80S80-E82 PolarHBondContact O-N 3.47Å; S80-E82 PolarHBondContact OG-N 3.41Å
83N88.6Confident91.4Very high80 Ų8058 Ų5843%0.42831%0.306SS..THydrogen-bonded Turntrans-1390.2-169.266.47.9000115.1S80 D85S80-N83 VanDerWaalsContact CB-OD1 3.25Å; S80-N83 WeakPolarHBondContact CB-OD1 3.09Å; S80-N83 PolarHBondContact OG-OD1 2.96Å; N83-D85 VanDerWaalsContact CG-CG 3.45Å; N83-D85 VanDerWaalsContact CG-OD2 3.29Å; N83-D85 PolarHBondContact ND2-OD2 2.87Å; N83-D85 PolarHBondContact O-N 3.16Å; N83-D85 WeakPolarHBondContact OD1-CB 3.06Å; N83-D85 VanDerWaalsContact OD1-CG 3.22Å; N83-D85 PolarHBondContact OD1-N 2.86Å; N83-D85 PolarHBondContact OD1-OD2 2.92Å
84G89.2Confident91.7Very high13 Ų1355.1 Ų55.113%0.13429%0.291CS..  trans71.813-178.300000114.2F79 S80F79-G84 WeakPolarHBondContact CD1-O 3.49Å; S80-G84 VanDerWaalsContact O-CA 3.22Å; S80-G84 WeakPolarHBondContact O-CA 3.06Å; S80-G84 PolarHBondContact O-N 3.3Å
85D93.6Very high92Very high34 Ų3454 Ų5418%0.18229%0.285CS..  trans-73.8138.9178-70.9-22.3000111.4F79 S80 N83 K98F79-D85 WeakPolarHBondContact CA-O 3.44Å; S80-D85 PolarHBondContact N-O 2.74Å; N83-D85 VanDerWaalsContact CG-CG 3.45Å; N83-D85 VanDerWaalsContact CG-OD2 3.29Å; N83-D85 PolarHBondContact ND2-OD2 2.87Å; N83-D85 PolarHBondContact O-N 3.16Å; N83-D85 WeakPolarHBondContact OD1-CB 3.06Å; N83-D85 VanDerWaalsContact OD1-CG 3.22Å; N83-D85 PolarHBondContact OD1-N 2.86Å; N83-D85 PolarHBondContact OD1-OD2 2.92Å; D85-K98 WeakPolarHBondContact OD1-CD 3.49Å; D85-K98 WeakPolarHBondContact OD1-CE 3.12Å; D85-K98 IonicContact OD1-NZ 2.58Å; D85-K98 PolarHBondContact OD1-NZ 2.85Å; D85-K98 WeakPolarHBondContact OD2-CE 3.18Å; D85-K98 IonicContact OD2-NZ 2.64Å; D85-K98 PolarHBondContact OD2-NZ 2.81Å
86P95.7Very high92.1Very high0 Ų058.3 Ų58.30%030%0.303CS..EExtended strand (participates in β ladder)trans-74137.6176.431-36000111.7L77 H78 F79 G97 V99 L130 F132L77-P86 HydrophobicContact CD1-CB 3.94Å; H78-P86 CarbonylContact O-C 3.52Å; H78-P86 WeakPolarHBondContact O-CA 3.43Å; F79-P86 HydrophobicContact CD1-CB 4.33Å; F79-P86 HydrophobicContact CE1-CB 3.93Å; F79-P86 HydrophobicContact CZ-CB 4.1Å; P86-G97 PolarHBondContact O-N 2.88Å; P86-V99 HydrophobicContact CG-CG2 4.46Å; P86-L130 HydrophobicContact CB-CD1 4.35Å; P86-L130 HydrophobicContact CB-CD2 4.35Å; P86-L130 HydrophobicContact CG-CB 4.36Å; P86-L130 HydrophobicContact CG-CD2 4.17Å; P86-F132 HydrophobicContact CB-CE1 4.19Å; P86-F132 HydrophobicContact CB-CZ 3.82Å; P86-F132 HydrophobicContact CG-CE1 4.3Å; P86-F132 HydrophobicContact CG-CZ 4.08Å
87I94.7Very high92.3Very high35 Ų3556.3 Ų56.318%0.17929%0.294CS..EExtended strand (participates in β ladder)trans-122.6118.1174.5-52.1175.7000107H78 F89 V94 L95 F96H78-I87 HydrophobicContact CB-CB 4.48Å; H78-I87 PolarHBondContact N-O 2.88Å; H78-I87 PolarHBondContact O-N 2.94Å; I87-F89 HydrophobicContact CB-CE2 4.44Å; I87-F89 HydrophobicContact CG2-CD2 4.37Å; I87-F89 HydrophobicContact CG2-CE2 3.62Å; I87-F89 HydrophobicContact CG2-CZ 3.73Å; I87-V94 HydrophobicContact CG2-CG2 3.67Å; I87-L95 WeakPolarHBondContact CA-O 3.3Å; I87-F96 HydrophobicContact CD1-CD1 4.46Å; I87-F96 HydrophobicContact CD1-CE1 4.28Å; I87-F96 HydrophobicContact CG1-CD1 4.1Å; I87-F96 HydrophobicContact CG1-CE1 4.33Å; I87-F96 HydrophobicContact CG2-CD1 4.24Å; I87-F96 HydrophobicContact CG2-CE1 4.06Å
88L95.1Very high92.3Very high0 Ų060.9 Ų60.90%031%0.313CS..EExtended strand (participates in β ladder)trans-112.9127-177.617865.5000110L22 L57 D76 L77 I90 L95 F132L22-L88 HydrophobicContact CD1-CD1 3.81Å; L57-L88 HydrophobicContact CD2-CD2 3.56Å; D76-L88 WeakPolarHBondContact O-CA 3.27Å; L77-L88 HydrophobicContact CB-CD1 4.15Å; L77-L88 HydrophobicContact CD1-CB 4.24Å; L77-L88 HydrophobicContact CD1-CD1 4.42Å; L88-I90 HydrophobicContact CD1-CG1 4.44Å; L88-I90 HydrophobicContact CD2-CD1 3.81Å; L88-I90 HydrophobicContact CD2-CG1 4.15Å; L88-I90 HydrophobicContact CG-CD1 4.18Å; L88-I90 HydrophobicContact CG-CG1 3.95Å; L88-L95 HydrophobicContact CB-CB 4.34Å; L88-L95 PolarHBondContact N-O 2.92Å; L88-L95 WeakPolarHBondContact O-CD1 3.34Å; L88-L95 PolarHBondContact O-N 3.11Å; L88-F132 HydrophobicContact CB-CD1 4.24Å; L88-F132 HydrophobicContact CB-CE1 3.51Å; L88-F132 HydrophobicContact CB-CE2 4.38Å; L88-F132 HydrophobicContact CB-CZ 3.59Å; L88-F132 HydrophobicContact CD2-CE2 4.21Å; L88-F132 HydrophobicContact CD2-CZ 4.22Å
89F94Very high92.3Very high69 Ų6959.4 Ų59.430%0.30331%0.309SS..EExtended strand (participates in β ladder)trans-104.3123.6174.8-62-89000109.4G75 D76 H78 I87 H93 V94 I139G75-F89 CarbonylContact C-O 3.54Å; G75-F89 WeakPolarHBondContact CA-O 3.37Å; D76-F89 HydrophobicContact CB-CB 4.35Å; D76-F89 PolarHBondContact N-O 3.17Å; D76-F89 PolarHBondContact O-N 3.09Å; H78-F89 AromaticContact CD2-CD2 3.7Å; H78-F89 AromaticContact CD2-CE2 3.74Å; I87-F89 HydrophobicContact CB-CE2 4.44Å; I87-F89 HydrophobicContact CG2-CD2 4.37Å; I87-F89 HydrophobicContact CG2-CE2 3.62Å; I87-F89 HydrophobicContact CG2-CZ 3.73Å; F89-H93 WeakPolarHBondContact CA-O 3.48Å; F89-V94 HydrophobicContact CD1-CB 4.02Å; F89-V94 HydrophobicContact CD1-CG2 4Å; F89-V94 HydrophobicContact CE1-CB 3.95Å; F89-V94 HydrophobicContact CE1-CG2 3.64Å; F89-V94 HydrophobicContact CZ-CG2 4.07Å; F89-I139 HydrophobicContact CD1-CD1 3.73Å; F89-I139 HydrophobicContact CE1-CD1 4.21Å
90I92.3Very high92.5Very high37 Ų3760.1 Ų60.119%0.1932%0.316CS..EExtended strand (participates in β ladder)trans-128.1103.5176.8-59.2178.4000107.7L57 L74 L88 H92 H93 L95L57-I90 HydrophobicContact CD1-CD1 4.39Å; L74-I90 HydrophobicContact CD1-CD1 3.91Å; L74-I90 HydrophobicContact CD1-CG1 4.44Å; L74-I90 HydrophobicContact CG-CD1 4.17Å; L74-I90 HydrophobicContact CG-CG1 4.41Å; L74-I90 WeakPolarHBondContact O-CG2 3.24Å; L88-I90 HydrophobicContact CD1-CG1 4.44Å; L88-I90 HydrophobicContact CD2-CD1 3.81Å; L88-I90 HydrophobicContact CD2-CG1 4.15Å; L88-I90 HydrophobicContact CG-CD1 4.18Å; L88-I90 HydrophobicContact CG-CG1 3.95Å; I90-H92 PolarHBondContact O-N 3.17Å; I90-H93 PolarHBondContact N-O 3.39Å; I90-H93 WeakPolarHBondContact O-CB 3.47Å; I90-H93 PolarHBondContact O-N 2.98Å; I90-L95 HydrophobicContact CB-CD1 4.37Å; I90-L95 HydrophobicContact CD1-CD1 3.99Å; I90-L95 HydrophobicContact CG1-CD1 4.09Å
91G88Confident92.8Very high71 Ų7162.1 Ų62.173%0.73234%0.335SS*.THydrogen-bonded Turntrans56-122.2-17300000111.6H93G91-H93 VanDerWaalsContact C-N 3.3Å
92H89.9Confident93.3Very high144 Ų14455 Ų5567%0.66730%0.302SS*.THydrogen-bonded Turntrans-90.915.6177.6-54.9128.7000113.9I90 I139I90-H92 PolarHBondContact O-N 3.17Å; H92-I139 PolarHBondContact O-N 2.94Å
93H92.3Very high93.7Very high90 Ų9056.4 Ų56.442%0.41731%0.309SS..EExtended strand (participates in β ladder)trans-112.7143.6178.8-59.5103.8000111.3F89 I90 G91 P136 K137F89-H93 WeakPolarHBondContact CA-O 3.48Å; I90-H93 PolarHBondContact N-O 3.39Å; I90-H93 WeakPolarHBondContact O-CB 3.47Å; I90-H93 PolarHBondContact O-N 2.98Å; G91-H93 VanDerWaalsContact C-N 3.3Å; H93-P136 HydrophobicContact CB-CB 3.89Å; H93-K137 CarbonylContact C-O 3.57Å; H93-K137 VanDerWaalsContact CA-O 3.29Å; H93-K137 WeakPolarHBondContact CA-O 3.39Å
94V94.7Very high94Very high16 Ų1660.8 Ų60.810%0.09732%0.324CS..EExtended strand (participates in β ladder)trans-114.7134.5168.261.50000109.6I87 F89 F96 K137 I139I87-V94 HydrophobicContact CG2-CG2 3.67Å; F89-V94 HydrophobicContact CD1-CB 4.02Å; F89-V94 HydrophobicContact CD1-CG2 4Å; F89-V94 HydrophobicContact CE1-CB 3.95Å; F89-V94 HydrophobicContact CE1-CG2 3.64Å; F89-V94 HydrophobicContact CZ-CG2 4.07Å; V94-F96 HydrophobicContact CB-CE2 4.49Å; V94-F96 HydrophobicContact CG1-CE2 3.84Å; V94-F96 HydrophobicContact CG1-CZ 4.2Å; V94-F96 HydrophobicContact CG2-CD2 4.46Å; V94-F96 HydrophobicContact CG2-CE1 4.23Å; V94-F96 HydrophobicContact CG2-CE2 3.87Å; V94-F96 HydrophobicContact CG2-CZ 3.74Å; V94-K137 HydrophobicContact CG1-CB 3.99Å; V94-K137 PolarHBondContact N-O 3.09Å; V94-K137 PolarHBondContact O-N 3.21Å; V94-I139 HydrophobicContact CB-CD1 4.27Å; V94-I139 HydrophobicContact CB-CG1 4.02Å; V94-I139 HydrophobicContact CG1-CG1 4.03Å
95L95.5Very high94.2Very high4 Ų463.8 Ų63.82%0.02134%0.341CS..EExtended strand (participates in β ladder)trans-118.4130.3176-58.786.6000108.4L57 I87 L88 I90 F132 P136L57-L95 HydrophobicContact CD2-CD2 4.27Å; I87-L95 WeakPolarHBondContact CA-O 3.3Å; L88-L95 HydrophobicContact CB-CB 4.34Å; L88-L95 PolarHBondContact N-O 2.92Å; L88-L95 WeakPolarHBondContact O-CD1 3.34Å; L88-L95 PolarHBondContact O-N 3.11Å; I90-L95 HydrophobicContact CB-CD1 4.37Å; I90-L95 HydrophobicContact CD1-CD1 3.99Å; I90-L95 HydrophobicContact CG1-CD1 4.09Å; L95-F132 HydrophobicContact CB-CB 4.32Å; L95-F132 HydrophobicContact CB-CD1 3.66Å; L95-F132 HydrophobicContact CB-CE1 4.35Å; L95-F132 HydrophobicContact CB-CG 4.27Å; L95-F132 HydrophobicContact CD2-CB 4.16Å; L95-P136 HydrophobicContact CD1-CB 4.38Å; L95-P136 HydrophobicContact CD2-CG 3.98Å; L95-P136 HydrophobicContact CG-CB 4.12Å; L95-P136 HydrophobicContact CG-CG 4.13Å
96F94.9Very high94.2Very high94 Ų9466.7 Ų66.741%0.41235%0.354SS..EExtended strand (participates in β ladder)trans-104.6124175.2-61.3-84.4000108.8I87 V94 T134 K137I87-F96 HydrophobicContact CD1-CD1 4.46Å; I87-F96 HydrophobicContact CD1-CE1 4.28Å; I87-F96 HydrophobicContact CG1-CD1 4.1Å; I87-F96 HydrophobicContact CG1-CE1 4.33Å; I87-F96 HydrophobicContact CG2-CD1 4.24Å; I87-F96 HydrophobicContact CG2-CE1 4.06Å; V94-F96 HydrophobicContact CB-CE2 4.49Å; V94-F96 HydrophobicContact CG1-CE2 3.84Å; V94-F96 HydrophobicContact CG1-CZ 4.2Å; V94-F96 HydrophobicContact CG2-CD2 4.46Å; V94-F96 HydrophobicContact CG2-CE1 4.23Å; V94-F96 HydrophobicContact CG2-CE2 3.87Å; V94-F96 HydrophobicContact CG2-CZ 3.74Å; F96-T134 PolarHBondContact O-OG1 3Å; F96-K137 HydrophobicContact CE2-CD 4.3Å
97G96Very high94Very high6 Ų671.4 Ų71.46%0.06238%0.379CS..  trans-119.5-175.6-174.800000113.5P86 L131P86-G97 PolarHBondContact O-N 2.88Å; G97-L131 CarbonylContact C-O 3.48Å; G97-L131 WeakPolarHBondContact CA-O 3.27Å
98K95.2Very high93.8Very high102 Ų10270.6 Ų70.644%0.44338%0.376SS..EExtended strand (participates in β ladder)trans-136.8145.5173.1-70.2-60.2-165.4175.90109.6D85 V100 L131D85-K98 WeakPolarHBondContact OD1-CD 3.49Å; D85-K98 WeakPolarHBondContact OD1-CE 3.12Å; D85-K98 IonicContact OD1-NZ 2.58Å; D85-K98 PolarHBondContact OD1-NZ 2.85Å; D85-K98 WeakPolarHBondContact OD2-CE 3.18Å; D85-K98 IonicContact OD2-NZ 2.64Å; D85-K98 PolarHBondContact OD2-NZ 2.81Å; K98-V100 HydrophobicContact CB-CG2 4.08Å; K98-L131 PolarHBondContact N-O 2.92Å; K98-L131 PolarHBondContact O-N 2.64Å
99V95.3Very high93.6Very high36 Ų3672.7 Ų72.722%0.21839%0.389CS..EExtended strand (participates in β ladder)trans-83.2120.6168.2-164.10000109F79 P86 R128 K129 L130F79-V99 HydrophobicContact CE1-CG2 4.03Å; P86-V99 HydrophobicContact CG-CG2 4.46Å; V99-R128 HydrophobicContact CG1-CB 4.46Å; V99-K129 WeakPolarHBondContact CA-O 3.35Å; V99-L130 HydrophobicContact CB-CD2 4.37Å; V99-L130 HydrophobicContact CG1-CD2 4.13Å; V99-L130 HydrophobicContact CG2-CD2 3.8Å
100V95.8Very high93.3Very high51 Ų5175.8 Ų75.831%0.30940%0.402SS..EExtended strand (participates in β ladder)trans-126.1135.3-174.1-176.60000109.5K98 R128 K129 L131K98-V100 HydrophobicContact CB-CG2 4.08Å; V100-R128 CarbonylContact O-C 3.51Å; V100-R128 VanDerWaalsContact O-CA 3.27Å; V100-R128 WeakPolarHBondContact O-CA 3.36Å; V100-K129 HydrophobicContact CB-CG 4.19Å; V100-K129 PolarHBondContact N-O 3.15Å; V100-K129 PolarHBondContact O-N 3.08Å; V100-L131 HydrophobicContact CG2-CB 4.03Å; V100-L131 HydrophobicContact CG2-CD2 4.12Å
101A95.5Very high93Very high71 Ų7179.5 Ų79.559%0.58741%0.414SS*.EExtended strand (participates in β ladder)trans-71.9141.7170.700000110.3
102L95Very high92.9Very high30 Ų3077.4 Ų77.416%0.15739%0.386CS..EExtended strand (participates in β ladder)trans-75.9138.7171.3-61.8179.1000109.5M54 K104 M106 I126 R127 K129M54-L102 HydrophobicContact CE-CD1 4.39Å; M54-L102 HydrophobicContact CE-CD2 3.74Å; L102-K104 WeakPolarHBondContact CB-O 3.44Å; L102-K104 PolarHBondContact O-N 2.86Å; L102-M106 HydrophobicContact CD1-CG 4.09Å; L102-M106 HydrophobicContact CD1-SD 4.15Å; L102-I126 HydrophobicContact CD1-CB 4.36Å; L102-I126 HydrophobicContact CD1-CG2 3.66Å; L102-R127 PolarHBondContact N-O 2.84Å; L102-K129 HydrophobicContact CD2-CB 4.15Å; L102-K129 HydrophobicContact CD2-CD 3.77Å; L102-K129 HydrophobicContact CD2-CG 3.91Å
103E95.6Very high92.5Very high202 Ų20276.1 Ų76.194%0.94439%0.388SS*.EExtended strand (participates in β ladder)trans-59.3-34173.5-65.7-177.2175.600111.6
104K94.7Very high92.1Very high172 Ų17278 Ų7875%0.74841%0.406SS*.EExtended strand (participates in β ladder)trans-132.5125.6173.3-65.1-178-177.8177.30109L102L102-K104 WeakPolarHBondContact CB-O 3.44Å; L102-K104 PolarHBondContact O-N 2.86Å
105P93.6Very high91.3Very high75 Ų7580.1 Ų80.149%0.48742%0.422SS..EExtended strand (participates in β ladder)trans-57.7148.5172.8-2434.1000111.6V125 I126 R127P105-V125 HydrophobicContact CB-CG2 4.12Å; P105-I126 CarbonylContact C-O 3.4Å; P105-I126 VanDerWaalsContact CA-O 3.26Å; P105-I126 WeakPolarHBondContact CA-O 3.13Å; P105-R127 HydrophobicContact CB-CG 4.38Å
106M93.8Very high90.3Very high95 Ų9583.7 Ų83.747%0.46846%0.46SS..EExtended strand (participates in β ladder)trans-110.4145175.9-60.7175.766.900109.8M54 L102 V125 I126M54-M106 HydrophobicContact CE-SD 4.39Å; M54-M106 HydrophobicContact SD-SD 4.31Å; L102-M106 HydrophobicContact CD1-CG 4.09Å; L102-M106 HydrophobicContact CD1-SD 4.15Å; M106-V125 CarbonylContact O-C 3.59Å; M106-V125 WeakPolarHBondContact O-CA 3.21Å; M106-I126 HydrophobicContact CB-CB 4.3Å; M106-I126 PolarHBondContact N-O 3.32Å; M106-I126 PolarHBondContact O-N 2.86Å
107L91.9Very high89.7Confident99 Ų9982.3 Ų82.352%0.51846%0.461SS..EExtended strand (participates in β ladder)trans-96.1131.2168.9-64.5178000108.9T109 V122 V125L107-T109 HydrophobicContact CB-CG2 4.14Å; L107-V122 HydrophobicContact CD1-CG2 4.27Å; L107-V122 HydrophobicContact CD2-CG1 4.07Å; L107-V125 HydrophobicContact CD2-CB 4.34Å; L107-V125 HydrophobicContact CD2-CG2 4.27Å
108V91.2Very high89.2Confident18 Ų1884.5 Ų84.511%0.10947%0.472CS..EExtended strand (participates in β ladder)trans-88.1121.9163-176.90000106.6Y28 W52 V123 S124 I126Y28-V108 HydrophobicContact CE1-CG1 4.48Å; W52-V108 HydrophobicContact CE3-CB 4.36Å; W52-V108 HydrophobicContact CE3-CG1 4.16Å; W52-V108 HydrophobicContact CE3-CG2 3.83Å; W52-V108 HydrophobicContact CH2-CG1 4.29Å; W52-V108 HydrophobicContact CZ3-CB 4.42Å; W52-V108 HydrophobicContact CZ3-CG1 3.73Å; W52-V108 HydrophobicContact CZ3-CG2 4.25Å; V108-V123 HydrophobicContact CB-CB 4.46Å; V108-V123 HydrophobicContact CG1-CB 4.23Å; V108-V123 PolarHBondContact O-N 3.09Å; V108-S124 VanDerWaalsContact CB-OG 3.29Å; V108-S124 WeakPolarHBondContact CB-OG 3.18Å; V108-S124 WeakPolarHBondContact CG2-OG 3.15Å; V108-S124 PolarHBondContact N-O 2.95Å; V108-S124 PolarHBondContact O-N 2.81Å; V108-I126 HydrophobicContact CG2-CD1 3.49Å; V108-I126 VanDerWaalsContact CG2-CD1 3.49Å; V108-I126 HydrophobicContact CG2-CG1 3.84Å
109T89.6Confident88.9Confident45 Ų4581 Ų8128%0.27646%0.457SS..EExtended strand (participates in β ladder)trans-120.7147.7-179.761.20000110.7L107 D121L107-T109 HydrophobicContact CB-CG2 4.14Å; T109-D121 CarbonylContact C-O 3.52Å; T109-D121 VanDerWaalsContact CA-O 3.25Å; T109-D121 WeakPolarHBondContact CA-O 3.43Å
110K87.7Confident88.7Confident133 Ų13380.4 Ų80.458%0.57845%0.451SS*.EExtended strand (participates in β ladder)trans-112.1134.9170.7-175.8177.4179.5179.60108N112 Y120 D121 V123K110-N112 PolarHBondContact O-N 2.88Å; K110-Y120 CarbonylContact O-C 3.53Å; K110-Y120 VanDerWaalsContact O-CA 3.29Å; K110-Y120 WeakPolarHBondContact O-CA 3.4Å; K110-D121 PolarHBondContact N-O 2.79Å; K110-D121 PolarHBondContact O-N 2.86Å; K110-V123 HydrophobicContact CB-CG2 3.61Å
111R87.4Confident88.5Confident115 Ų11580.5 Ų80.543%0.43445%0.45SS..EExtended strand (participates in β ladder)trans-62.7128.7171.8-177.5179.8-70.3-168.7-2.8108.7T113 L118 Y120R111-T113 HydrophobicContact CG-CG2 4.3Å; R111-L118 HydrophobicContact CG-CD1 4.24Å; R111-Y120 HydrophobicContact CB-CD1 4.1Å; R111-Y120 HydrophobicContact CB-CE1 3.79Å; R111-Y120 HydrophobicContact CG-CE1 4.41Å; R111-Y120 PolarHBondContact NH2-OH 2.88Å
112N85.7Confident88.3Confident27 Ų2778.3 Ų78.314%0.14443%0.429CS..EExtended strand (participates in β ladder)trans-94.5117.2173.3178.3-29.1000108.1K110 T114 Q119 D121K110-N112 PolarHBondContact O-N 2.88Å; N112-T114 VanDerWaalsContact OD1-CB 3.3Å; N112-T114 WeakPolarHBondContact OD1-CB 3.24Å; N112-T114 PolarHBondContact OD1-N 3.29Å; N112-T114 VanDerWaalsContact OD1-N 3.08Å; N112-T114 PolarHBondContact OD1-OG1 3.03Å; N112-Q119 HydrophobicContact CB-CG 3.6Å; N112-Q119 PolarHBondContact N-O 2.8Å; N112-Q119 PolarHBondContact ND2-NE2 3Å; N112-Q119 PolarHBondContact OD1-NE2 2.81Å; N112-Q119 VanDerWaalsContact OD1-NE2 3.15Å; N112-D121 WeakPolarHBondContact CB-OD2 3.38Å; N112-D121 PolarHBondContact ND2-OD1 3.37Å; N112-D121 PolarHBondContact ND2-OD2 3.41Å
113T82Confident88Confident118 Ų11878.8 Ų78.872%0.72443%0.433SS*.  trans-973.5-172.951.80000113.1R111R111-T113 HydrophobicContact CG-CG2 4.3Å
114T83.5Confident87.9Confident128 Ų12869.2 Ų69.279%0.78539%0.388SS*.THydrogen-bonded Turntrans-72.8-37-169.9-42.90000112.9N112N112-T114 VanDerWaalsContact OD1-CB 3.3Å; N112-T114 WeakPolarHBondContact OD1-CB 3.24Å; N112-T114 PolarHBondContact OD1-N 3.29Å; N112-T114 VanDerWaalsContact OD1-N 3.08Å; N112-T114 PolarHBondContact OD1-OG1 3.03Å
115S76.4Confident87.8Confident61 Ų6161.5 Ų61.543%0.42736%0.355SS..THydrogen-bonded Turntrans-92.3-2.2-171.156.20000114.5S117 Q119S115-S117 WeakPolarHBondContact CB-OG 3.26Å; S115-S117 PolarHBondContact O-N 2.63Å; S115-S117 PolarHBondContact OG-O 2.79Å; S115-S117 PolarHBondContact OG-OG 3.22Å; S115-Q119 VanDerWaalsContact OG-CD 3.24Å; S115-Q119 PolarHBondContact OG-NE2 3.07Å
116G76.3Confident87.8Confident80 Ų8058.7 Ų58.783%0.82534%0.336SS*.SBendtrans65.3-16.5-169.600000114.8
117S81.8Confident87.9Confident64 Ų6460 Ų6045%0.44834%0.336SS..SBendtrans-86151.4171.961.10000111.4S115 Q119S115-S117 WeakPolarHBondContact CB-OG 3.26Å; S115-S117 PolarHBondContact O-N 2.63Å; S115-S117 PolarHBondContact OG-O 2.79Å; S115-S117 PolarHBondContact OG-OG 3.22Å; S117-Q119 PolarHBondContact O-N 2.72Å; S117-Q119 VanDerWaalsContact O-N 3.07Å
118L85.2Confident88.1Confident52 Ų5257.6 Ų57.627%0.27232%0.32SS..  trans-74.2103.2177.8-171.966000110.1F34 M38 I40 R111 Y120F34-L118 HydrophobicContact CE1-CD2 4.45Å; M38-L118 HydrophobicContact CE-CB 4.24Å; M38-L118 HydrophobicContact CE-CD2 3.27Å; M38-L118 HydrophobicContact CE-CG 4.26Å; I40-L118 HydrophobicContact CD1-CD2 3.97Å; I40-L118 HydrophobicContact CG1-CD2 4.47Å; R111-L118 HydrophobicContact CG-CD1 4.24Å; L118-Y120 HydrophobicContact CD1-CE2 3.81Å; L118-Y120 HydrophobicContact CD2-CE2 4.18Å; L118-Y120 HydrophobicContact CG-CE2 3.83Å
119Q88.6Confident88.3Confident28 Ų2858.6 Ų58.613%0.13132%0.323CS..EExtended strand (participates in β ladder)trans-135.2160.4172.678.4-169.2-10.900110.3P41 H43 N112 S115 S117P41-Q119 HydrophobicContact CB-CB 4.18Å; P41-Q119 HydrophobicContact CG-CB 4.42Å; P41-Q119 WeakPolarHBondContact O-CA 3.39Å; H43-Q119 PolarHBondContact NE2-OE1 3.23Å; H43-Q119 VanDerWaalsContact NE2-OE1 3.09Å; N112-Q119 HydrophobicContact CB-CG 3.6Å; N112-Q119 PolarHBondContact N-O 2.8Å; N112-Q119 PolarHBondContact ND2-NE2 3Å; N112-Q119 PolarHBondContact OD1-NE2 2.81Å; N112-Q119 VanDerWaalsContact OD1-NE2 3.15Å; S115-Q119 VanDerWaalsContact OG-CD 3.24Å; S115-Q119 PolarHBondContact OG-NE2 3.07Å; S117-Q119 PolarHBondContact O-N 2.72Å; S117-Q119 VanDerWaalsContact O-N 3.07Å
120Y90.8Very high88.6Confident24 Ų2456.6 Ų56.69%0.09431%0.31CS..EExtended strand (participates in β ladder)trans-131.9145.4-179.2-69.6-97.6000110.8P31 I40 P41 I42 H43 K110 R111 L118P31-Y120 WeakPolarHBondContact CG-OH 3.31Å; I40-Y120 HydrophobicContact CG2-CD2 3.49Å; I40-Y120 VanDerWaalsContact CG2-CD2 3.49Å; I40-Y120 HydrophobicContact CG2-CE2 3.81Å; P41-Y120 PolarHBondContact O-N 3.36Å; I42-Y120 CarbonylContact C-O 3.55Å; I42-Y120 VanDerWaalsContact CA-O 3.27Å; I42-Y120 WeakPolarHBondContact CA-O 3.01Å; H43-Y120 PolarHBondContact N-O 3.09Å; K110-Y120 CarbonylContact O-C 3.53Å; K110-Y120 VanDerWaalsContact O-CA 3.29Å; K110-Y120 WeakPolarHBondContact O-CA 3.4Å; R111-Y120 HydrophobicContact CB-CD1 4.1Å; R111-Y120 HydrophobicContact CB-CE1 3.79Å; R111-Y120 HydrophobicContact CG-CE1 4.41Å; R111-Y120 PolarHBondContact NH2-OH 2.88Å; L118-Y120 HydrophobicContact CD1-CE2 3.81Å; L118-Y120 HydrophobicContact CD2-CE2 4.18Å; L118-Y120 HydrophobicContact CG-CE2 3.83Å
121D91.1Very high89Confident54 Ų5451.7 Ų51.729%0.28929%0.291SS..EExtended strand (participates in β ladder)trans-104.9138.3171.2-54.1-32.9000108.9H43 T109 K110 N112 V123H43-D121 IonicContact CD2-OD1 3.61Å; H43-D121 IonicContact CG-OD1 3.99Å; H43-D121 CarbonylContact O-C 3.55Å; H43-D121 WeakPolarHBondContact O-CA 3.34Å; T109-D121 CarbonylContact C-O 3.52Å; T109-D121 VanDerWaalsContact CA-O 3.25Å; T109-D121 WeakPolarHBondContact CA-O 3.43Å; K110-D121 PolarHBondContact N-O 2.79Å; K110-D121 PolarHBondContact O-N 2.86Å; N112-D121 WeakPolarHBondContact CB-OD2 3.38Å; N112-D121 PolarHBondContact ND2-OD1 3.37Å; N112-D121 PolarHBondContact ND2-OD2 3.41Å; D121-V123 PolarHBondContact O-N 3.07Å
122V91.7Very high89.4Confident24 Ų2446.3 Ų46.315%0.14527%0.27CS..EExtended strand (participates in β ladder)trans-72.4121.6172.9179.80000108.7I42 H43 V49 L107I42-V122 HydrophobicContact CG2-CG2 3.49Å; I42-V122 VanDerWaalsContact CG2-CG2 3.49Å; H43-V122 PolarHBondContact O-N 2.82Å; V49-V122 HydrophobicContact CG2-CG1 3.75Å; L107-V122 HydrophobicContact CD1-CG2 4.27Å; L107-V122 HydrophobicContact CD2-CG1 4.07Å
123V90Very high89.9Confident41 Ų4152.5 Ų52.525%0.24830%0.296CS..EExtended strand (participates in β ladder)trans-92.4-45.8176.7178.60000110.4W52 V108 K110 D121W52-V123 HydrophobicContact CH2-CG1 4.04Å; W52-V123 HydrophobicContact CZ2-CG1 3.77Å; V108-V123 HydrophobicContact CB-CB 4.46Å; V108-V123 HydrophobicContact CG1-CB 4.23Å; V108-V123 PolarHBondContact O-N 3.09Å; K110-V123 HydrophobicContact CB-CG2 3.61Å; D121-V123 PolarHBondContact O-N 3.07Å
124S92.4Very high90.4Very high0 Ų049.6 Ų49.60%028%0.278CS..EExtended strand (participates in β ladder)trans-157.3166.1-178.971.80000112N50 V108N50-S124 CarbonylContact O-C 3.56Å; N50-S124 WeakPolarHBondContact O-CA 3.39Å; N50-S124 WeakPolarHBondContact O-CB 3.45Å; V108-S124 VanDerWaalsContact CB-OG 3.29Å; V108-S124 WeakPolarHBondContact CB-OG 3.18Å; V108-S124 WeakPolarHBondContact CG2-OG 3.15Å; V108-S124 PolarHBondContact N-O 2.95Å; V108-S124 PolarHBondContact O-N 2.81Å
125V92.5Very high90.9Very high10 Ų1053 Ų536%0.06128%0.277CS..EExtended strand (participates in β ladder)trans-109.2138.9166.966.60000109.5V49 N50 E51 W52 P105 M106 L107 R127V49-V125 HydrophobicContact CG1-CB 4.45Å; V49-V125 HydrophobicContact CG1-CG1 3.95Å; N50-V125 PolarHBondContact O-N 2.89Å; E51-V125 WeakPolarHBondContact CA-O 3.29Å; W52-V125 PolarHBondContact N-O 3.37Å; P105-V125 HydrophobicContact CB-CG2 4.12Å; M106-V125 CarbonylContact O-C 3.59Å; M106-V125 WeakPolarHBondContact O-CA 3.21Å; L107-V125 HydrophobicContact CD2-CB 4.34Å; L107-V125 HydrophobicContact CD2-CG2 4.27Å; V125-R127 HydrophobicContact CG1-CG 4.47Å; V125-R127 HydrophobicContact CG2-CG 4.1Å
126I95.1Very high91.7Very high16 Ų1652 Ų528%0.08227%0.268CS..EExtended strand (participates in β ladder)trans-110.1117.3172-57.9171000107.3W52 M54 L102 P105 M106 V108 R128W52-I126 HydrophobicContact CB-CG1 3.92Å; W52-I126 WeakPolarHBondContact O-CA 3.47Å; M54-I126 HydrophobicContact CB-CD1 4.44Å; M54-I126 HydrophobicContact CB-CG2 3.79Å; L102-I126 HydrophobicContact CD1-CB 4.36Å; L102-I126 HydrophobicContact CD1-CG2 3.66Å; P105-I126 CarbonylContact C-O 3.4Å; P105-I126 VanDerWaalsContact CA-O 3.26Å; P105-I126 WeakPolarHBondContact CA-O 3.13Å; M106-I126 HydrophobicContact CB-CB 4.3Å; M106-I126 PolarHBondContact N-O 3.32Å; M106-I126 PolarHBondContact O-N 2.86Å; V108-I126 HydrophobicContact CG2-CD1 3.49Å; V108-I126 VanDerWaalsContact CG2-CD1 3.49Å; V108-I126 HydrophobicContact CG2-CG1 3.84Å; I126-R128 WeakPolarHBondContact CG2-O 3.25Å
127R95.4Very high92.5Very high122 Ų12253.9 Ų53.946%0.4625%0.254SS..EExtended strand (participates in β ladder)trans-109-19.9176.7-57.3178.1-178.8-79.9-1.2112.6L102 P105 V125L102-R127 PolarHBondContact N-O 2.84Å; P105-R127 HydrophobicContact CB-CG 4.38Å; V125-R127 HydrophobicContact CG1-CG 4.47Å; V125-R127 HydrophobicContact CG2-CG 4.1Å
128R95.6Very high93.1Very high49 Ų4955 Ų5519%0.18526%0.259CS..EExtended strand (participates in β ladder)trans-137.2155.7-174.9-58175.873.4177.30.6110.6L10 L53 M54 V99 V100 I126L10-R128 VanDerWaalsContact CD2-NH2 3.27Å; L53-R128 HydrophobicContact CD2-CB 3.67Å; M54-R128 PolarHBondContact N-O 2.89Å; V99-R128 HydrophobicContact CG1-CB 4.46Å; V100-R128 CarbonylContact O-C 3.51Å; V100-R128 VanDerWaalsContact O-CA 3.27Å; V100-R128 WeakPolarHBondContact O-CA 3.36Å; I126-R128 WeakPolarHBondContact CG2-O 3.25Å
129K95Very high93.4Very high39 Ų3955.7 Ų55.717%0.1726%0.263CS..EExtended strand (participates in β ladder)trans-128.3150.4173.466.1176.8-179.6-179.60112.2M54 E56 V99 V100 L102M54-K129 HydrophobicContact CB-CB 3.94Å; M54-K129 HydrophobicContact CE-CB 3.89Å; M54-K129 HydrophobicContact CE-CD 3.79Å; M54-K129 HydrophobicContact CE-CG 4.44Å; M54-K129 HydrophobicContact CG-CB 4.41Å; M54-K129 CarbonylContact O-C 3.6Å; M54-K129 WeakPolarHBondContact O-CA 3.44Å; M54-K129 WeakPolarHBondContact O-CB 3.29Å; E56-K129 HydrophobicContact CB-CD 4.47Å; E56-K129 IonicContact OE1-NZ 2.78Å; E56-K129 VanDerWaalsContact OE2-CD 3.24Å; E56-K129 WeakPolarHBondContact OE2-CD 3.48Å; E56-K129 WeakPolarHBondContact OE2-CE 3.04Å; E56-K129 IonicContact OE2-NZ 3.56Å; E56-K129 PolarHBondContact OE2-NZ 2.58Å; V99-K129 WeakPolarHBondContact CA-O 3.35Å; V100-K129 HydrophobicContact CB-CG 4.19Å; V100-K129 PolarHBondContact N-O 3.15Å; V100-K129 PolarHBondContact O-N 3.08Å; L102-K129 HydrophobicContact CD2-CB 4.15Å; L102-K129 HydrophobicContact CD2-CD 3.77Å; L102-K129 HydrophobicContact CD2-CG 3.91Å
130L95.8Very high93.1Very high3 Ų361.3 Ų61.32%0.01629%0.292CS..EExtended strand (participates in β ladder)trans-88.9105.7162.6-51.5-173.9000107.4M54 I55 E56 L77 F79 P86 V99 F132M54-L130 PolarHBondContact O-N 3.32Å; I55-L130 HydrophobicContact CG1-CB 4.41Å; I55-L130 HydrophobicContact CG1-CD1 4.19Å; I55-L130 HydrophobicContact CG1-CG 4.49Å; E56-L130 PolarHBondContact N-O 3Å; L77-L130 HydrophobicContact CD1-CD1 4.14Å; L77-L130 HydrophobicContact CD2-CD1 3.56Å; L77-L130 HydrophobicContact CG-CD1 4.49Å; F79-L130 HydrophobicContact CE1-CD2 4.24Å; F79-L130 HydrophobicContact CZ-CD1 4.08Å; F79-L130 HydrophobicContact CZ-CD2 4.05Å; P86-L130 HydrophobicContact CB-CD1 4.35Å; P86-L130 HydrophobicContact CB-CD2 4.35Å; P86-L130 HydrophobicContact CG-CB 4.36Å; P86-L130 HydrophobicContact CG-CD2 4.17Å; V99-L130 HydrophobicContact CB-CD2 4.37Å; V99-L130 HydrophobicContact CG1-CD2 4.13Å; V99-L130 HydrophobicContact CG2-CD2 3.8Å; L130-F132 HydrophobicContact CB-CD2 4.4Å; L130-F132 HydrophobicContact CB-CE2 3.66Å; L130-F132 HydrophobicContact CB-CZ 4.31Å
131L96.4Very high92.4Very high31 Ų3167.7 Ų67.716%0.16233%0.327CS..EExtended strand (participates in β ladder)trans-96.3111-176.3176.165000110.6E56 G97 K98 V100 K133E56-L131 HydrophobicContact CB-CD1 4.2Å; E56-L131 HydrophobicContact CG-CD1 4Å; E56-L131 WeakPolarHBondContact OE1-CD1 3.3Å; G97-L131 CarbonylContact C-O 3.48Å; G97-L131 WeakPolarHBondContact CA-O 3.27Å; K98-L131 PolarHBondContact N-O 2.92Å; K98-L131 PolarHBondContact O-N 2.64Å; V100-L131 HydrophobicContact CG2-CB 4.03Å; V100-L131 HydrophobicContact CG2-CD2 4.12Å; L131-K133 HydrophobicContact CD1-CB 4.33Å; L131-K133 HydrophobicContact CG-CB 4.23Å
132F96.7Very high91.5Very high1 Ų169.7 Ų69.70%0.00435%0.346CS..EExtended strand (participates in β ladder)trans-104.972.4175-60.9-89.2000110.3I55 E56 L57 Q58 L77 P86 L88 L95 L130 T134I55-F132 HydrophobicContact CG2-CD2 4.16Å; I55-F132 HydrophobicContact CG2-CE2 3.99Å; E56-F132 WeakPolarHBondContact O-CB 3.35Å; E56-F132 PolarHBondContact O-N 3.42Å; L57-F132 HydrophobicContact CD2-CB 4.25Å; L57-F132 HydrophobicContact CD2-CD2 3.76Å; L57-F132 HydrophobicContact CD2-CE2 4.41Å; L57-F132 HydrophobicContact CD2-CG 4.18Å; Q58-F132 VanDerWaalsContact CB-O 3.3Å; Q58-F132 WeakPolarHBondContact CB-O 3.49Å; Q58-F132 PolarHBondContact N-O 3.01Å; Q58-F132 VanDerWaalsContact N-O 3.16Å; L77-F132 HydrophobicContact CD1-CZ 3.92Å; P86-F132 HydrophobicContact CB-CE1 4.19Å; P86-F132 HydrophobicContact CB-CZ 3.82Å; P86-F132 HydrophobicContact CG-CE1 4.3Å; P86-F132 HydrophobicContact CG-CZ 4.08Å; L88-F132 HydrophobicContact CB-CD1 4.24Å; L88-F132 HydrophobicContact CB-CE1 3.51Å; L88-F132 HydrophobicContact CB-CE2 4.38Å; L88-F132 HydrophobicContact CB-CZ 3.59Å; L88-F132 HydrophobicContact CD2-CE2 4.21Å; L88-F132 HydrophobicContact CD2-CZ 4.22Å; L95-F132 HydrophobicContact CB-CB 4.32Å; L95-F132 HydrophobicContact CB-CD1 3.66Å; L95-F132 HydrophobicContact CB-CE1 4.35Å; L95-F132 HydrophobicContact CB-CG 4.27Å; L95-F132 HydrophobicContact CD2-CB 4.16Å; L130-F132 HydrophobicContact CB-CD2 4.4Å; L130-F132 HydrophobicContact CB-CE2 3.66Å; L130-F132 HydrophobicContact CB-CZ 4.31Å; F132-T134 PolarHBondContact O-N 3.47Å
133K94.9Very high90.5Very high158 Ų15873.2 Ų73.269%0.68738%0.377SS*.  trans-76.1-17.6-173.968.2-179.5-178.4178.70115.3L131L131-K133 HydrophobicContact CD1-CB 4.33Å; L131-K133 HydrophobicContact CG-CB 4.23Å
134T93.6Very high89.1Confident57 Ų5776.4 Ų76.435%0.3540%0.401SS..SBendtrans-86.5150.3-17661.50000110.5F96 F132F96-T134 PolarHBondContact O-OG1 3Å; F132-T134 PolarHBondContact O-N 3.47Å
135R93.5Very high87.3Confident200 Ų20085.2 Ų85.276%0.75544%0.439SS*.PPolyproline II helixtrans-59.1136.9176.2-176.6-179.3-97.1-160.4-4.9110.2K137R135-K137 PolarHBondContact O-N 3.35Å
136P92.9Very high85.5Confident38 Ų3894.6 Ų94.625%0.24748%0.479CS..PPolyproline II helixtrans-52.3129.5174.2-2531000111.3H93 L95H93-P136 HydrophobicContact CB-CB 3.89Å; L95-P136 HydrophobicContact CD1-CB 4.38Å; L95-P136 HydrophobicContact CD2-CG 3.98Å; L95-P136 HydrophobicContact CG-CB 4.12Å; L95-P136 HydrophobicContact CG-CG 4.13Å
137K93.7Very high83.6Confident120 Ų120103.5 Ų103.552%0.52253%0.534SS..EExtended strand (participates in β ladder)trans-94.8134.3178.4-68-174.6178.7179.90109.6H93 V94 F96 R135H93-K137 CarbonylContact C-O 3.57Å; H93-K137 VanDerWaalsContact CA-O 3.29Å; H93-K137 WeakPolarHBondContact CA-O 3.39Å; V94-K137 HydrophobicContact CG1-CB 3.99Å; V94-K137 PolarHBondContact N-O 3.09Å; V94-K137 PolarHBondContact O-N 3.21Å; F96-K137 HydrophobicContact CE2-CD 4.3Å; R135-K137 PolarHBondContact O-N 3.35Å
138P93.7Very high83Confident87 Ų87102.6 Ų102.657%0.56554%0.538SS*.EExtended strand (participates in β ladder)trans-65.8140.5172.328.7-33.7000110I140P138-I140 PolarHBondContact O-N 3.07Å
139I92Very high82.4Confident68 Ų68105.4 Ų105.435%0.34956%0.556SS.*  trans-85.4107.6173.3-58.4167000107.4F89 H92 V94F89-I139 HydrophobicContact CD1-CD1 3.73Å; F89-I139 HydrophobicContact CE1-CD1 4.21Å; H92-I139 PolarHBondContact O-N 2.94Å; V94-I139 HydrophobicContact CB-CD1 4.27Å; V94-I139 HydrophobicContact CB-CG1 4.02Å; V94-I139 HydrophobicContact CG1-CG1 4.03Å
140I83.2Confident81.7Confident145 Ų145109.1 Ų109.174%0.74458%0.578SS**  trans-94.8106.8178.6-53.9176000107.9P138 S142P138-I140 PolarHBondContact O-N 3.07Å; I140-S142 PolarHBondContact O-N 2.77Å
141L75.4Confident80.9Confident158 Ų158115.3 Ų115.383%0.82761%0.611SS**  trans-78.6105.2168.7-63.8173.7000108.1A143L141-A143 PolarHBondContact O-N 2.85Å
142S71.5Confident79.9Confident97 Ų97120.6 Ų120.668%0.67864%0.639SS**  trans-71112.1168.861.40000108.5I140 S144I140-S142 PolarHBondContact O-N 2.77Å; S142-S144 VanDerWaalsContact C-N 3.26Å; S142-S144 PolarHBondContact O-N 3.42Å
143A71Confident78.8Confident98 Ų98128.5 Ų128.581%0.8168%0.681SS**  trans-70.289.6166.900000107.6L141 K145L141-A143 PolarHBondContact O-N 2.85Å; A143-K145 VanDerWaalsContact C-N 3.31Å; A143-K145 PolarHBondContact O-N 3.43Å
144S61.3Low77.6Confident107 Ų107126.4 Ų126.475%0.74868%0.681SS**  trans-59104.2164.7-60.50000106.3S142 K146S142-S144 VanDerWaalsContact C-N 3.26Å; S142-S144 PolarHBondContact O-N 3.42Å; S144-K146 PolarHBondContact O-N 3.41Å
145K55.1Low76.4Confident186 Ų186131.8 Ų131.881%0.80971%0.706SS**  trans-55115.6177.5-161.2175.7-172.8-179.20106.1A143 V147A143-K145 VanDerWaalsContact C-N 3.31Å; A143-K145 PolarHBondContact O-N 3.43Å; K145-V147 PolarHBondContact O-N 3.34Å
146K55Low75Confident206 Ų206126.1 Ų126.190%0.89670%0.702SS**  trans-55.8108.4164-97.8-176.5172-1770105.9S144S144-K146 PolarHBondContact O-N 3.41Å
147V54.9Low73.3Confident203 Ų203134.1 Ų134.1100%1.2374%0.743SS**  trans-77.80156.4-175.50000106.3K145K145-V147 PolarHBondContact O-N 3.34Å

Retrieved 147 of 147 residues in 40.5 ms (Link to these results)