X5D7X7_HUMAN Loading...

Myotubularin related protein 10 isoform D

AlphaFold DB , UniProt , Accession X5D7X7, Species HUMAN (Homo sapiens, Human), Gene MTMR10, Length 220 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
1M47.5Very low64Low247 Ų247160.3 Ų160.3100%1.21784%0.843SS**  0110.30-80.1173.7155.400108.2
2F48.1Very low63.8Low200 Ų200164.3 Ų164.388%0.87784%0.839SS**  trans-89.8122.5175.6-68.3-79.7000109.1L4F2-L4 PolarHBondContact O-N 3.28Å
3S60.2Low63.5Low109 Ų109157.4 Ų157.476%0.76281%0.814SS**  trans-74.9100.9173.3-176.50000108.7K5S3-K5 PolarHBondContact O-N 3.16Å; S3-K5 VanDerWaalsContact O-N 3.1Å
4L59.3Low63.7Low163 Ų163162.1 Ų162.185%0.85382%0.818SS**  trans-78.386.8174.4-66.7172.8000109F2F2-L4 PolarHBondContact O-N 3.28Å
5K67.6Low63.4Low180 Ų180161.1 Ų161.178%0.78382%0.816SS**PPolyproline II helixtrans-70.3126.5163.4-70.4-175.9-179.5175.60107.8S3S3-K5 PolarHBondContact O-N 3.16Å; S3-K5 VanDerWaalsContact O-N 3.1Å
6P68.5Low63.2Low113 Ų113161.1 Ų161.173%0.73482%0.817SS**PPolyproline II helixtrans-62.4138.4179.723.7-31.4000110.1K8P6-K8 PolarHBondContact O-N 3.43Å
7P67.8Low63.1Low123 Ų123157.9 Ų157.980%0.79981%0.81SS**PPolyproline II helixtrans-62.4132.5178.124-30.8000109.8
8K68.6Low62.7Low188 Ų188155.3 Ų155.382%0.81781%0.805SS**PPolyproline II helixtrans-61.1130.6176.1-73177.8177.1175.40108.9P6 T10P6-K8 PolarHBondContact O-N 3.43Å; K8-T10 PolarHBondContact O-N 3.13Å
9P71.3Confident62Low122 Ų122152.9 Ų152.979%0.79280%0.8SS**PPolyproline II helixtrans-60.6125.7175.924.1-31.8000109.7F11P9-F11 VanDerWaalsContact C-N 3.33Å
10T71.9Confident61.3Low142 Ų142154.4 Ų154.487%0.87180%0.803SS**  trans-86.4-5.6179.645.50000113K8 R12K8-T10 PolarHBondContact O-N 3.13Å; T10-R12 PolarHBondContact O-N 2.88Å
11F73.6Confident60.4Low176 Ų176151.4 Ų151.477%0.77279%0.791SS**  trans-76.7107.5177.3-173-102.4000110.4P9P9-F11 VanDerWaalsContact C-N 3.33Å
12R61.4Low60.1Low209 Ų209146.9 Ų146.979%0.78977%0.772SS**  trans-95.6108.8165.3-73.7-170.6175.7-132.12.4108.2T10 Y14T10-R12 PolarHBondContact O-N 2.88Å; R12-Y14 PolarHBondContact O-N 2.94Å
13S59.8Low59.7Low74 Ų74143.3 Ų143.352%0.51776%0.762SS.*  trans-66.9122.3167.957.20000109.1L15S13-L15 PolarHBondContact O-N 3.2Å
14Y66.9Low58.6Low223 Ų223147.7 Ų147.788%0.87577%0.767SS**  trans-77.83.2171.6-64.4-80.6000113.1R12 L16R12-Y14 PolarHBondContact O-N 2.94Å; Y14-L16 PolarHBondContact O-N 3.04Å
15L58.9Low58Low148 Ų148147.6 Ų147.678%0.77577%0.766SS**SBendtrans-76.3114.3171.1-61.8175.3000107.8S13S13-L15 PolarHBondContact O-N 3.2Å
16L59.8Low56.2Low160 Ų160145.5 Ų145.584%0.83876%0.764SS**PPolyproline II helixtrans-54.1132.1172.7-77.9154.6000109Y14Y14-L16 PolarHBondContact O-N 3.04Å
17P61.6Low55.1Low107 Ų107144.9 Ų144.970%0.69576%0.762SS**PPolyproline II helixtrans-59137.8169.424.5-30.7000108.5
18P55.8Low53.4Low112 Ų112145.2 Ų145.273%0.72775%0.753SS**PPolyproline II helixtrans-57.9141.3176.222.8-30.8000109.3Q20P18-Q20 PolarHBondContact O-N 2.8Å
19P48.9Very low52.2Low110 Ų110142.1 Ų142.171%0.71475%0.752SS**PPolyproline II helixtrans-56.8129.3176.622.2-30.6000109.4T21P19-T21 VanDerWaalsContact C-N 3.31Å; P19-T21 PolarHBondContact O-N 2.95Å
20Q49.3Very low50.5Low181 Ų181143.8 Ų143.885%0.84675%0.747SS**  trans-68.291.9169.8-66.3-93.30.700107.1P18P18-Q20 PolarHBondContact O-N 2.8Å
21T41.8Very low49.3Very low92 Ų92145 Ų14556%0.56475%0.746SS**  trans-86.4107.1165.551.60000107.7P19 D23P19-T21 VanDerWaalsContact C-N 3.31Å; P19-T21 PolarHBondContact O-N 2.95Å; T21-D23 PolarHBondContact O-N 2.91Å; T21-D23 PolarHBondContact OG1-OD2 2.92Å
22D40.8Very low48.2Very low153 Ų153144.6 Ų144.682%0.81874%0.744SS**  trans-65.779.8162.8-74.3-48.9000108.5K24D22-K24 VanDerWaalsContact C-N 3.35Å; D22-K24 PolarHBondContact O-N 3.29Å
23D40Very low47.9Very low125 Ų125142.2 Ų142.267%0.66874%0.739SS**  trans-78.188.8177.5-68.2-44.4000109.3T21 I25T21-D23 PolarHBondContact O-N 2.91Å; T21-D23 PolarHBondContact OG1-OD2 2.92Å; D23-I25 PolarHBondContact O-N 3.01Å; D23-I25 VanDerWaalsContact O-N 3.1Å
24K37.7Very low48Very low200 Ų200140.7 Ų140.787%0.8773%0.725SS**  trans-54.4112.1161-76.1-176.7178.2-177.20108.6D22 N26D22-K24 VanDerWaalsContact C-N 3.35Å; D22-K24 PolarHBondContact O-N 3.29Å; K24-N26 PolarHBondContact O-N 2.8Å
25I46.2Very low48.1Very low161 Ų161135.5 Ų135.583%0.82671%0.709SS**  trans-59.699.7172.6-58.6165.6000108.1D23D23-I25 PolarHBondContact O-N 3.01Å; D23-I25 VanDerWaalsContact O-N 3.1Å
26N30.1Very low48.7Very low137 Ų137129.8 Ų129.873%0.73368%0.681SS**  trans-105.892.5156.6-169.716.8000107.2K24 E28K24-N26 PolarHBondContact O-N 2.8Å; N26-E28 PolarHBondContact O-N 3.46Å
27S45.5Very low49.8Very low99 Ų99127.8 Ų127.869%0.69268%0.675SS**  trans-77.991.5177.748.50000109.9
28E31.7Very low51.1Low130 Ų130126.1 Ų126.161%0.60766%0.66SS**  trans-99.8119.3154-84.3178.5170.300108.3N26 K30N26-E28 PolarHBondContact O-N 3.46Å; E28-K30 PolarHBondContact O-N 2.94Å
29P43.5Very low52.6Low124 Ų124123.3 Ų123.381%0.80564%0.639SS**  trans-74.977.6175.831.7-31.4000108.5I31P29-I31 PolarHBondContact O-N 3.27Å
30K36.3Very low54.4Low157 Ų157124.6 Ų124.668%0.68365%0.647SS**  trans-69.4109.5159.8-71.4-179.6-177.4173.80105.4E28 K32E28-K30 PolarHBondContact O-N 2.94Å; K30-K32 PolarHBondContact O-N 3.08Å
31I45.2Very low56.3Low167 Ų167119.2 Ų119.286%0.85664%0.64SS**  trans-5396.2168.3-60.2165.3000105.7P29 K33P29-I31 PolarHBondContact O-N 3.27Å; I31-K33 PolarHBondContact O-N 3.39Å; I31-K33 VanDerWaalsContact O-N 3.16Å
32K51.2Low58.6Low168 Ų168115.6 Ų115.673%0.7362%0.616SS**  trans-73.6110.7177.9-70.2-178.9-175.6175.90104.3K30 L34K30-K32 PolarHBondContact O-N 3.08Å; K32-L34 PolarHBondContact O-N 3.39Å; K32-L34 VanDerWaalsContact O-N 3.09Å
33K55.8Low61Low158 Ų158113.2 Ų113.269%0.68760%0.603SS**  trans-48122.3166.7-168.2176.9170-151.30107.1I31 E35I31-K33 PolarHBondContact O-N 3.39Å; I31-K33 VanDerWaalsContact O-N 3.16Å; K33-E35 HydrophobicContact CB-CG 4.22Å; K33-E35 HydrophobicContact CD-CG 4.13Å; K33-E35 WeakPolarHBondContact CD-OE1 3.34Å; K33-E35 WeakPolarHBondContact CE-OE1 3.14Å; K33-E35 HydrophobicContact CG-CG 3.91Å; K33-E35 IonicContact NZ-OE1 2.76Å; K33-E35 PolarHBondContact NZ-OE1 3.03Å; K33-E35 PolarHBondContact O-N 3.29Å
34L61.5Low63.4Low42 Ų42110 Ų11022%0.2259%0.587CS.*  trans-66.182.3-179.1-67.9-177.3000109.4K32 I78 D80K32-L34 PolarHBondContact O-N 3.39Å; K32-L34 VanDerWaalsContact O-N 3.09Å; L34-I78 HydrophobicContact CB-CG2 4.08Å; L34-I78 HydrophobicContact CD2-CG2 3.62Å; L34-I78 HydrophobicContact CG-CG2 4.33Å; L34-D80 HydrophobicContact CD2-CB 4.47Å; L34-D80 WeakPolarHBondContact CD2-OD1 3.36Å; L34-D80 WeakPolarHBondContact CD2-OD2 3.34Å; L34-D80 WeakPolarHBondContact CG-OD2 3.18Å
35E68.9Low66Low115 Ų115103.8 Ų103.854%0.53757%0.566SS.*  trans-108.6136.6-180-66.6-168.1163.600110.5K33K33-E35 HydrophobicContact CB-CG 4.22Å; K33-E35 HydrophobicContact CD-CG 4.13Å; K33-E35 WeakPolarHBondContact CD-OE1 3.34Å; K33-E35 WeakPolarHBondContact CE-OE1 3.14Å; K33-E35 HydrophobicContact CG-CG 3.91Å; K33-E35 IonicContact NZ-OE1 2.76Å; K33-E35 PolarHBondContact NZ-OE1 3.03Å; K33-E35 PolarHBondContact O-N 3.29Å
36P71.9Confident68.1Low27 Ų2797.8 Ų97.818%0.17554%0.536CS..  trans-69.2139.7177.228.3-33000110.9L38 V44 I69 I78P36-L38 HydrophobicContact CB-CD2 3.95Å; P36-L38 HydrophobicContact CB-CG 4.44Å; P36-L38 HydrophobicContact CG-CD2 3.94Å; P36-L38 HydrophobicContact CG-CG 4.22Å; P36-L38 PolarHBondContact O-N 2.76Å; P36-V44 HydrophobicContact CG-CG2 4.14Å; P36-I69 HydrophobicContact CB-CD1 3.79Å; P36-I69 HydrophobicContact CG-CD1 3.59Å; P36-I69 HydrophobicContact CG-CG2 4.47Å; P36-I78 HydrophobicContact CB-CD1 4.01Å
37V83.2Confident71Confident119 Ų11995.2 Ų95.272%0.72152%0.519SS*.  trans-77.9107.4165.3-177.40000107.9K74V37-K74 PolarHBondContact O-NZ 3.32Å
38L87.7Confident73.1Confident72 Ų7290.7 Ų90.738%0.37749%0.488SS..PPolyproline II helixtrans-94.6136.9-179.5-58.7179.7000110.9P36 E42 V44P36-L38 HydrophobicContact CB-CD2 3.95Å; P36-L38 HydrophobicContact CB-CG 4.44Å; P36-L38 HydrophobicContact CG-CD2 3.94Å; P36-L38 HydrophobicContact CG-CG 4.22Å; P36-L38 PolarHBondContact O-N 2.76Å; L38-E42 WeakPolarHBondContact CA-OE2 3.22Å; L38-E42 HydrophobicContact CB-CB 4.2Å; L38-E42 HydrophobicContact CD2-CG 3.95Å; L38-V44 HydrophobicContact CD1-CG2 4.07Å; L38-V44 HydrophobicContact CD2-CG2 3.98Å
39L87.7Confident75.8Confident53 Ų5387.8 Ų87.828%0.27748%0.476SS..PPolyproline II helixtrans-74.6159.6169.8-61.4176.7000111G41 E42 F73 L94L39-G41 PolarHBondContact O-N 3.49Å; L39-G41 VanDerWaalsContact O-N 3.16Å; L39-E42 HydrophobicContact CB-CB 4.24Å; L39-E42 PolarHBondContact N-OE2 3.46Å; L39-E42 WeakPolarHBondContact O-CB 3.15Å; L39-E42 PolarHBondContact O-N 3.07Å; L39-F73 HydrophobicContact CD1-CD1 4Å; L39-F73 HydrophobicContact CD1-CE1 3.53Å; L39-F73 HydrophobicContact CD1-CZ 3.92Å; L39-L94 HydrophobicContact CD2-CD2 4.4Å
40P87.5Confident77.9Confident136 Ų13686.5 Ų86.588%0.88346%0.458SS*.THydrogen-bonded Turntrans-55.2122.2173.1-25.234.7000111.7E42P40-E42 VanDerWaalsContact C-N 3.31Å
41G88.6Confident80.4Confident68 Ų6879.1 Ų79.170%0.70143%0.426SS*.THydrogen-bonded Turntrans82.41.7-176.900000115.1L39 N72L39-G41 PolarHBondContact O-N 3.49Å; L39-G41 VanDerWaalsContact O-N 3.16Å; G41-N72 PolarHBondContact O-ND2 3.06Å
42E90.6Very high82.5Confident16 Ų1673.3 Ų73.38%0.07539%0.393CS..  trans-77132.7168.9-170.4177.2178.200110L38 L39 P40 S71 N72 F73 K74L38-E42 WeakPolarHBondContact CA-OE2 3.22Å; L38-E42 HydrophobicContact CB-CB 4.2Å; L38-E42 HydrophobicContact CD2-CG 3.95Å; L39-E42 HydrophobicContact CB-CB 4.24Å; L39-E42 PolarHBondContact N-OE2 3.46Å; L39-E42 WeakPolarHBondContact O-CB 3.15Å; L39-E42 PolarHBondContact O-N 3.07Å; P40-E42 VanDerWaalsContact C-N 3.31Å; E42-S71 WeakPolarHBondContact OE1-CB 3.16Å; E42-S71 PolarHBondContact OE1-OG 3.03Å; E42-N72 WeakPolarHBondContact CA-OD1 3.36Å; E42-F73 HydrophobicContact CG-CB 3.98Å; E42-K74 WeakPolarHBondContact OE1-CE 3.41Å; E42-K74 VanDerWaalsContact OE1-CG 3.3Å; E42-K74 WeakPolarHBondContact OE1-CG 3.43Å
43I89.7Confident84.4Confident103 Ų10366.3 Ų66.353%0.52836%0.363SS..  trans-124.3135.8178.559.9171.5000109.8S71 N72I43-S71 CarbonylContact O-C 3.47Å; I43-S71 WeakPolarHBondContact O-CA 3.48Å; I43-S71 WeakPolarHBondContact O-CB 3.37Å; I43-N72 HydrophobicContact CG1-CB 3.82Å; I43-N72 PolarHBondContact N-OD1 3.22Å; I43-N72 PolarHBondContact O-N 3.31Å; I43-N72 PolarHBondContact O-OD1 3.39Å
44V91.9Very high86Confident58 Ų5859.4 Ų59.435%0.35234%0.335SS..EExtended strand (participates in β ladder)trans-71.1128.4169.4178.20000107.9P36 L38 I69P36-V44 HydrophobicContact CG-CG2 4.14Å; L38-V44 HydrophobicContact CD1-CG2 4.07Å; L38-V44 HydrophobicContact CD2-CG2 3.98Å; V44-I69 HydrophobicContact CB-CG2 4.42Å; V44-I69 HydrophobicContact CG1-CG2 3.68Å; V44-I69 HydrophobicContact CG2-CG2 3.96Å
45V91Very high87Confident69 Ų6959.8 Ų59.842%0.41834%0.336SS..EExtended strand (participates in β ladder)trans-93-51.9176.3-175.60000108.6C70 A185V45-C70 WeakPolarHBondContact CA-O 3.47Å; V45-C70 WeakPolarHBondContact CB-O 3.31Å; V45-C70 PolarHBondContact N-O 3.35Å; V45-A185 HydrophobicContact CG1-CB 3.82Å
46N90.5Very high87Confident36 Ų3655.7 Ų55.719%0.19332%0.322CS..EExtended strand (participates in β ladder)trans-146.5156.2177.3-79.773.9000110.4C70 E181 L182N46-C70 PolarHBondContact N-O 3.43Å; N46-C70 VanDerWaalsContact N-O 3.15Å; N46-C70 PolarHBondContact O-N 3.4Å; N46-E181 WeakPolarHBondContact ND2-CB 3.39Å; N46-L182 HydrophobicContact CB-CB 3.9Å; N46-L182 HydrophobicContact CB-CD1 4.25Å; N46-L182 HydrophobicContact CB-CG 4.27Å
47E91Very high86.4Confident82 Ų8260.6 Ų60.638%0.38335%0.352SS..EExtended strand (participates in β ladder)trans-134.5154.2168.859.1177.8-176.500110.1K67 L68 I69E47-K67 IonicContact OE1-NZ 2.7Å; E47-K67 IonicContact OE2-NZ 3.86Å; E47-K67 PolarHBondContact OE2-NZ 2.9Å; E47-L68 CarbonylContact C-O 3.58Å; E47-L68 WeakPolarHBondContact CA-O 3.22Å; E47-I69 HydrophobicContact CB-CG1 4.06Å; E47-I69 HydrophobicContact CB-CG2 4.48Å
48V90.4Very high85.1Confident5 Ų561.2 Ų61.23%0.0335%0.351CS..EExtended strand (participates in β ladder)trans-140.2130.7176.7176.20000107.5V51 K67 L68 E178 V179 L182V48-V51 HydrophobicContact CB-CG2 4.05Å; V48-V51 HydrophobicContact CG1-CG2 3.58Å; V48-K67 WeakPolarHBondContact O-CA 3.06Å; V48-K67 WeakPolarHBondContact O-CG 3.35Å; V48-L68 PolarHBondContact N-O 3.5Å; V48-L68 PolarHBondContact O-N 3.45Å; V48-E178 HydrophobicContact CG2-CB 4.27Å; V48-V179 HydrophobicContact CG1-CG2 3.65Å; V48-V179 HydrophobicContact CG2-CG2 4.37Å; V48-L182 HydrophobicContact CB-CD1 4.19Å; V48-L182 HydrophobicContact CG2-CB 3.63Å; V48-L182 HydrophobicContact CG2-CD1 3.68Å; V48-L182 HydrophobicContact CG2-CG 4.13Å
49N88.5Confident83.6Confident69 Ų6960.7 Ų60.737%0.36935%0.351SS..EExtended strand (participates in β ladder)trans-89.3169.5178.1-65.4-63000111.7V51 K67N49-V51 PolarHBondContact O-N 3.43Å; N49-V51 VanDerWaalsContact O-N 3.14Å; N49-K67 WeakPolarHBondContact OD1-CE 3.3Å
50F86.4Confident82.4Confident97 Ų9760.7 Ų60.743%0.42536%0.355SS..EExtended strand (participates in β ladder)trans52.440.7173.5-53-67.8000114.2W65 G66 P153F50-W65 VanDerWaalsContact O-CZ3 3.28Å; F50-W65 WeakPolarHBondContact O-CZ3 3.15Å; F50-G66 PolarHBondContact N-O 3.4Å; F50-P153 HydrophobicContact CD1-CG 4.23Å
51V89.7Confident81.3Confident1 Ų161.8 Ų61.81%0.00635%0.349CS..EExtended strand (participates in β ladder)trans-90.8134.7176.5-176.40000109.4V48 N49 G66 L68 F77 F146 F148V48-V51 HydrophobicContact CB-CG2 4.05Å; V48-V51 HydrophobicContact CG1-CG2 3.58Å; N49-V51 PolarHBondContact O-N 3.43Å; N49-V51 VanDerWaalsContact O-N 3.14Å; V51-G66 PolarHBondContact N-O 3.32Å; V51-G66 PolarHBondContact O-N 2.77Å; V51-L68 HydrophobicContact CB-CB 4.1Å; V51-L68 HydrophobicContact CG1-CB 4.19Å; V51-L68 HydrophobicContact CG1-CD2 4.34Å; V51-L68 HydrophobicContact CG2-CB 3.75Å; V51-F77 HydrophobicContact CB-CE2 4.35Å; V51-F77 WeakPolarHBondContact O-CE2 3.22Å; V51-F146 HydrophobicContact CG1-CB 3.78Å; V51-F146 HydrophobicContact CG1-CD1 3.99Å; V51-F146 HydrophobicContact CG1-CG 4.25Å; V51-F148 HydrophobicContact CG1-CD1 4.21Å; V51-F148 HydrophobicContact CG1-CE1 4.03Å; V51-F148 HydrophobicContact CG2-CD1 4.06Å; V51-F148 HydrophobicContact CG2-CE1 4.06Å
52R89.7Confident80.6Confident46 Ų4664 Ų6417%0.17434%0.337CS..EExtended strand (participates in β ladder)trans-97116.5175.3-169.5-172.9-60.3-152.415110.2S60 D63 L64 W65 F146 R147 D149R52-S60 PolarHBondContact NH1-OG 3.42Å; R52-D63 WeakPolarHBondContact CD-OD2 3.33Å; R52-D63 HydrophobicContact CG-CB 3.58Å; R52-L64 CarbonylContact C-O 3.54Å; R52-L64 WeakPolarHBondContact CA-O 3.34Å; R52-W65 HydrophobicContact CB-CD2 4.23Å; R52-W65 HydrophobicContact CB-CE3 3.95Å; R52-W65 HydrophobicContact CB-CH2 4.34Å; R52-W65 HydrophobicContact CB-CZ3 3.99Å; R52-W65 HydrophobicContact CG-CD2 4.38Å; R52-W65 VanDerWaalsContact NE-CZ2 3.26Å; R52-F146 CarbonylContact O-C 3.51Å; R52-F146 VanDerWaalsContact O-CA 3.3Å; R52-F146 WeakPolarHBondContact O-CA 3.36Å; R52-R147 HydrophobicContact CB-CB 4.37Å; R52-R147 PolarHBondContact N-O 2.92Å; R52-R147 PolarHBondContact O-N 3.32Å; R52-D149 IonicContact CZ-OD2 2.75Å; R52-D149 IonicContact NE-OD2 3.16Å; R52-D149 PolarHBondContact NE-OD2 3.09Å; R52-D149 IonicContact NH2-OD2 2.65Å; R52-D149 PolarHBondContact NH2-OD2 2.8Å
53K90.8Very high80.3Confident20 Ų2063.9 Ų63.99%0.08734%0.336CS..EExtended strand (participates in β ladder)trans-87.7121.5171.6-178.6-177.6173.2-168.90110I55 D63 L64 F77 H98 F146K53-I55 HydrophobicContact CD-CD1 4.01Å; K53-I55 HydrophobicContact CG-CD1 4.08Å; K53-D63 WeakPolarHBondContact O-CA 3.47Å; K53-L64 HydrophobicContact CB-CB 4.4Å; K53-L64 PolarHBondContact N-O 3.45Å; K53-L64 PolarHBondContact O-N 3.37Å; K53-F77 HydrophobicContact CB-CD1 4.02Å; K53-F77 HydrophobicContact CB-CD2 4.34Å; K53-F77 HydrophobicContact CB-CE1 3.58Å; K53-F77 HydrophobicContact CB-CE2 3.94Å; K53-F77 HydrophobicContact CB-CG 4.37Å; K53-F77 HydrophobicContact CB-CZ 3.53Å; K53-F77 HydrophobicContact CD-CD1 3.56Å; K53-F77 HydrophobicContact CD-CE1 3.81Å; K53-F77 HydrophobicContact CD-CG 4.13Å; K53-F77 HydrophobicContact CG-CD1 4.41Å; K53-F77 HydrophobicContact CG-CE1 4.35Å; K53-H98 PolarHBondContact NZ-ND1 3.15Å; K53-F146 HydrophobicContact CB-CD1 3.84Å; K53-F146 HydrophobicContact CB-CE1 3.84Å; K53-F146 HydrophobicContact CD-CE1 3.98Å; K53-F146 HydrophobicContact CG-CD1 4.06Å; K53-F146 HydrophobicContact CG-CE1 3.74Å
54C88.3Confident80.2Confident14 Ų1459.1 Ų59.110%0.09531%0.312CS..EExtended strand (participates in β ladder)trans-79.8125.9177.7-57.80000111.1D63 R145C54-D63 VanDerWaalsContact CA-OD1 3.28Å; C54-D63 WeakPolarHBondContact CA-OD1 3.5Å; C54-R145 HydrophobicContact CB-CB 4.05Å; C54-R145 PolarHBondContact N-O 2.71Å
55I82.2Confident80Confident49 Ų4959.1 Ų59.125%0.25131%0.306SS..  trans-103-36.6-178-57.8-60.9000112K53 Y62 D63 L64 M83K53-I55 HydrophobicContact CD-CD1 4.01Å; K53-I55 HydrophobicContact CG-CD1 4.08Å; I55-Y62 WeakPolarHBondContact CB-O 3.34Å; I55-Y62 WeakPolarHBondContact CG1-O 3.47Å; I55-D63 PolarHBondContact N-OD1 3.48Å; I55-L64 HydrophobicContact CD1-CD1 3.87Å; I55-L64 HydrophobicContact CD1-CG 4.32Å; I55-L64 HydrophobicContact CG1-CD1 4.09Å; I55-L64 HydrophobicContact CG1-CG 4.02Å; I55-M83 HydrophobicContact CG1-CE 3.98Å; I55-M83 HydrophobicContact CG1-SD 4.34Å; I55-M83 HydrophobicContact CG2-CE 4.34Å; I55-M83 HydrophobicContact CG2-SD 4.38Å
56A68.9Low79.9Confident29 Ų2956.3 Ų56.324%0.2429%0.291CS..  trans-111.2148175.800000111.1D58A56-D58 VanDerWaalsContact C-N 3.35Å
57T60.7Low79.9Confident131 Ų13156.1 Ų56.180%0.80429%0.288SS*.SBendtrans-79.1-15.1-178.643.50000114
58D55Low80Confident132 Ų13252.2 Ų52.271%0.70627%0.27SS*.SBendtrans-123.7-24.2-16858.3-1.6000114.7A56A56-D58 VanDerWaalsContact C-N 3.35Å
59T57.4Low80.1Confident61 Ų6152.1 Ų52.137%0.37427%0.269SS..  trans-135.7121.8-177.9330000112.5Q61T59-Q61 PolarHBondContact O-N 3.25Å; T59-Q61 VanDerWaalsContact O-N 3.12Å
60S62.7Low80.4Confident52 Ų5248.9 Ų48.936%0.36425%0.252SS..G310 helixtrans-71.1-1.1179.1-167.80000113.9R52 Y62 D63R52-S60 PolarHBondContact NH1-OG 3.42Å; S60-Y62 PolarHBondContact O-N 3.15Å; S60-Y62 VanDerWaalsContact O-N 3.16Å; S60-D63 WeakPolarHBondContact CA-OD2 3.49Å; S60-D63 WeakPolarHBondContact CB-OD2 3.24Å; S60-D63 PolarHBondContact O-N 3.38Å; S60-D63 PolarHBondContact OG-OD2 3.21Å
61Q64.1Low80.7Confident160 Ų16044.3 Ų44.375%0.74823%0.232SC*.G310 helixtrans-67.3-14.6-175.1-65.9-172.7-7.600114.1T59T59-Q61 PolarHBondContact O-N 3.25Å; T59-Q61 VanDerWaalsContact O-N 3.12Å
62Y73.7Confident80.7Confident115 Ų11546.3 Ų46.345%0.45124%0.243SC..G310 helixtrans-118.613.2-178.8-56.6-71.8000113.3I55 S60 M83 L85I55-Y62 WeakPolarHBondContact CB-O 3.34Å; I55-Y62 WeakPolarHBondContact CG1-O 3.47Å; S60-Y62 PolarHBondContact O-N 3.15Å; S60-Y62 VanDerWaalsContact O-N 3.16Å; Y62-M83 WeakPolarHBondContact O-CE 3.47Å; Y62-L85 HydrophobicContact CD1-CD1 3.81Å; Y62-L85 HydrophobicContact CE1-CD1 3.62Å
63D84.5Confident80.8Confident13 Ų1347.7 Ų47.77%0.0725%0.25CC..PPolyproline II helixtrans-69.9143.9177.9-66.2-16.3000110.5R52 K53 C54 I55 S60 R147R52-D63 WeakPolarHBondContact CD-OD2 3.33Å; R52-D63 HydrophobicContact CG-CB 3.58Å; K53-D63 WeakPolarHBondContact O-CA 3.47Å; C54-D63 VanDerWaalsContact CA-OD1 3.28Å; C54-D63 WeakPolarHBondContact CA-OD1 3.5Å; I55-D63 PolarHBondContact N-OD1 3.48Å; S60-D63 WeakPolarHBondContact CA-OD2 3.49Å; S60-D63 WeakPolarHBondContact CB-OD2 3.24Å; S60-D63 PolarHBondContact O-N 3.38Å; S60-D63 PolarHBondContact OG-OD2 3.21Å; D63-R147 IonicContact OD2-NH1 3.95Å
64L86.7Confident80.9Confident2 Ų247 Ų471%0.0125%0.247CC..EExtended strand (participates in β ladder)trans-101133.5-177.9-65.1172000110.3R52 K53 I55 F77 T79 D81 M83R52-L64 CarbonylContact C-O 3.54Å; R52-L64 WeakPolarHBondContact CA-O 3.34Å; K53-L64 HydrophobicContact CB-CB 4.4Å; K53-L64 PolarHBondContact N-O 3.45Å; K53-L64 PolarHBondContact O-N 3.37Å; I55-L64 HydrophobicContact CD1-CD1 3.87Å; I55-L64 HydrophobicContact CD1-CG 4.32Å; I55-L64 HydrophobicContact CG1-CD1 4.09Å; I55-L64 HydrophobicContact CG1-CG 4.02Å; L64-F77 HydrophobicContact CB-CE1 3.89Å; L64-F77 HydrophobicContact CB-CZ 4.17Å; L64-F77 WeakPolarHBondContact O-CZ 3.37Å; L64-T79 HydrophobicContact CD1-CG2 4.21Å; L64-D81 HydrophobicContact CD2-CB 4.09Å; L64-M83 HydrophobicContact CD1-CE 3.87Å; L64-M83 HydrophobicContact CD1-SD 3.76Å; L64-M83 HydrophobicContact CD2-CB 4.48Å; L64-M83 HydrophobicContact CD2-CE 3.45Å; L64-M83 VanDerWaalsContact CD2-CE 3.45Å; L64-M83 HydrophobicContact CD2-SD 4.25Å; L64-M83 HydrophobicContact CG-CE 3.65Å; L64-M83 HydrophobicContact CG-SD 4.25Å
65W88.1Confident81.2Confident59 Ų5946.4 Ų46.422%0.22324%0.243CC..EExtended strand (participates in β ladder)trans-91.5141.9169.3-70.798.4000111F50 R52 T79 D149 S151 P153F50-W65 VanDerWaalsContact O-CZ3 3.28Å; F50-W65 WeakPolarHBondContact O-CZ3 3.15Å; R52-W65 HydrophobicContact CB-CD2 4.23Å; R52-W65 HydrophobicContact CB-CE3 3.95Å; R52-W65 HydrophobicContact CB-CH2 4.34Å; R52-W65 HydrophobicContact CB-CZ3 3.99Å; R52-W65 HydrophobicContact CG-CD2 4.38Å; R52-W65 VanDerWaalsContact NE-CZ2 3.26Å; W65-T79 VanDerWaalsContact O-CB 3.25Å; W65-T79 WeakPolarHBondContact O-CB 3.21Å; W65-T79 PolarHBondContact O-OG1 3.45Å; W65-D149 HydrophobicContact CH2-CB 3.97Å; W65-S151 WeakPolarHBondContact CH2-O 3.2Å; W65-P153 HydrophobicContact CD2-CG 4.28Å; W65-P153 HydrophobicContact CE3-CG 4.49Å; W65-P153 HydrophobicContact CG-CG 4.42Å
66G89.4Confident81.7Confident10 Ų1044.4 Ų44.410%0.10323%0.234CC..EExtended strand (participates in β ladder)trans-175-167.5-178.200000114.2F50 V51 I78F50-G66 PolarHBondContact N-O 3.4Å; V51-G66 PolarHBondContact N-O 3.32Å; V51-G66 PolarHBondContact O-N 2.77Å; G66-I78 CarbonylContact C-O 3.48Å; G66-I78 WeakPolarHBondContact CA-O 3.46Å
67K90.3Very high82.8Confident32 Ų3243.3 Ų43.314%0.13922%0.223CC..EExtended strand (participates in β ladder)trans-105.5131.7175.1-178.4-171.4-88.1-162.50109.2E47 V48 N49 I69 F77 I78E47-K67 IonicContact OE1-NZ 2.7Å; E47-K67 IonicContact OE2-NZ 3.86Å; E47-K67 PolarHBondContact OE2-NZ 2.9Å; V48-K67 WeakPolarHBondContact O-CA 3.06Å; V48-K67 WeakPolarHBondContact O-CG 3.35Å; N49-K67 WeakPolarHBondContact OD1-CE 3.3Å; K67-I69 HydrophobicContact CD-CD1 3.66Å; K67-I69 HydrophobicContact CD-CG1 3.82Å; K67-I69 HydrophobicContact CG-CD1 4.22Å; K67-I69 HydrophobicContact CG-CG1 3.88Å; K67-F77 WeakPolarHBondContact O-CA 3.44Å; K67-I78 PolarHBondContact N-O 3.4Å; K67-I78 PolarHBondContact O-N 3.28Å
68L92.9Very high84.1Confident0 Ų038.5 Ų38.50%019%0.192CC..EExtended strand (participates in β ladder)trans-101.8130.3173.2-169.866.3000109.6E47 V48 V51 I75 F77 L134 F146 F148 L182E47-L68 CarbonylContact C-O 3.58Å; E47-L68 WeakPolarHBondContact CA-O 3.22Å; V48-L68 PolarHBondContact N-O 3.5Å; V48-L68 PolarHBondContact O-N 3.45Å; V51-L68 HydrophobicContact CB-CB 4.1Å; V51-L68 HydrophobicContact CG1-CB 4.19Å; V51-L68 HydrophobicContact CG1-CD2 4.34Å; V51-L68 HydrophobicContact CG2-CB 3.75Å; L68-I75 HydrophobicContact CD1-CG2 3.54Å; L68-I75 HydrophobicContact CG-CG2 4.23Å; L68-F77 HydrophobicContact CD1-CB 4.13Å; L68-F77 HydrophobicContact CD1-CD2 4.27Å; L68-L134 HydrophobicContact CD2-CD2 4.26Å; L68-F146 HydrophobicContact CD1-CD1 4.12Å; L68-F146 HydrophobicContact CD1-CD2 4.3Å; L68-F146 HydrophobicContact CD1-CE1 3.74Å; L68-F146 HydrophobicContact CD1-CE2 3.92Å; L68-F146 HydrophobicContact CD1-CG 4.38Å; L68-F146 HydrophobicContact CD1-CZ 3.62Å; L68-F146 HydrophobicContact CD2-CD2 4.24Å; L68-F146 HydrophobicContact CD2-CG 4.21Å; L68-F148 HydrophobicContact CD2-CE1 4.39Å; L68-L182 HydrophobicContact CD2-CD2 3.67Å; L68-L182 HydrophobicContact CG-CD1 4.4Å; L68-L182 HydrophobicContact CG-CD2 4.23Å; L68-L182 WeakPolarHBondContact O-CD1 2.85Å
69I92.4Very high85.7Confident2 Ų233.5 Ų33.51%0.0117%0.167CC..EExtended strand (participates in β ladder)trans-129128-175.7-53.7179.8000108.7P36 V44 E47 K67 I75 S76 I78P36-I69 HydrophobicContact CB-CD1 3.79Å; P36-I69 HydrophobicContact CG-CD1 3.59Å; P36-I69 HydrophobicContact CG-CG2 4.47Å; V44-I69 HydrophobicContact CB-CG2 4.42Å; V44-I69 HydrophobicContact CG1-CG2 3.68Å; V44-I69 HydrophobicContact CG2-CG2 3.96Å; E47-I69 HydrophobicContact CB-CG1 4.06Å; E47-I69 HydrophobicContact CB-CG2 4.48Å; K67-I69 HydrophobicContact CD-CD1 3.66Å; K67-I69 HydrophobicContact CD-CG1 3.82Å; K67-I69 HydrophobicContact CG-CD1 4.22Å; K67-I69 HydrophobicContact CG-CG1 3.88Å; I69-I75 CarbonylContact O-C 3.51Å; I69-I75 VanDerWaalsContact O-CA 3.31Å; I69-I75 WeakPolarHBondContact O-CA 3.41Å; I69-S76 PolarHBondContact N-O 3.35Å; I69-S76 PolarHBondContact O-N 2.91Å; I69-I78 HydrophobicContact CD1-CD1 3.62Å; I69-I78 HydrophobicContact CD1-CG1 4.42Å
70C93.7Very high86.6Confident1 Ų136 Ų361%0.00718%0.177CC..EExtended strand (participates in β ladder)trans-102.6117.3170.3-175.90000109.1V45 N46 L182V45-C70 WeakPolarHBondContact CA-O 3.47Å; V45-C70 WeakPolarHBondContact CB-O 3.31Å; V45-C70 PolarHBondContact N-O 3.35Å; N46-C70 PolarHBondContact N-O 3.43Å; N46-C70 VanDerWaalsContact N-O 3.15Å; N46-C70 PolarHBondContact O-N 3.4Å; C70-L182 HydrophobicContact CB-CD1 4.13Å; C70-L182 HydrophobicContact CB-CG 3.99Å
71S92.8Very high87.1Confident2 Ų237.6 Ų37.61%0.01418%0.182CC..EExtended strand (participates in β ladder)trans-102.8178.7171.380.30000111.3E42 I43 F73 K74E42-S71 WeakPolarHBondContact OE1-CB 3.16Å; E42-S71 PolarHBondContact OE1-OG 3.03Å; I43-S71 CarbonylContact O-C 3.47Å; I43-S71 WeakPolarHBondContact O-CA 3.48Å; I43-S71 WeakPolarHBondContact O-CB 3.37Å; S71-F73 PolarHBondContact O-N 2.96Å; S71-F73 PolarHBondContact OG-N 3.28Å; S71-F73 VanDerWaalsContact OG-N 3.08Å; S71-K74 PolarHBondContact N-O 3.33Å; S71-K74 PolarHBondContact OG-N 2.95Å; S71-K74 PolarHBondContact OG-O 3.34Å
72N91.4Very high87Confident42 Ų4235.1 Ų35.123%0.22518%0.18CC..SBendtrans-70.4-5.2169.967.9-26.2000113.6G41 E42 I43 K189G41-N72 PolarHBondContact O-ND2 3.06Å; E42-N72 WeakPolarHBondContact CA-OD1 3.36Å; I43-N72 HydrophobicContact CG1-CB 3.82Å; I43-N72 PolarHBondContact N-OD1 3.22Å; I43-N72 PolarHBondContact O-N 3.31Å; I43-N72 PolarHBondContact O-OD1 3.39Å; N72-K189 WeakPolarHBondContact O-CE 3.4Å
73F91.4Very high86.5Confident75 Ų7531.5 Ų31.533%0.32917%0.168SC..SBendtrans-120.9-40.8-173.8176.6-114.3000113.5L39 E42 S71 L95 L102L39-F73 HydrophobicContact CD1-CD1 4Å; L39-F73 HydrophobicContact CD1-CE1 3.53Å; L39-F73 HydrophobicContact CD1-CZ 3.92Å; E42-F73 HydrophobicContact CG-CB 3.98Å; S71-F73 PolarHBondContact O-N 2.96Å; S71-F73 PolarHBondContact OG-N 3.28Å; S71-F73 VanDerWaalsContact OG-N 3.08Å; F73-L95 HydrophobicContact CE1-CD2 3.7Å; F73-L95 HydrophobicContact CZ-CD2 4.37Å; F73-L102 WeakPolarHBondContact O-CG 3.47Å; F73-L102 PolarHBondContact O-N 2.97Å
74K92.5Very high85Confident5 Ų536.3 Ų36.32%0.02220%0.199CC..EExtended strand (participates in β ladder)trans-148.8164.5-172.559.3-176.3177.3171.70112.1V37 E42 S71 L95 D99 V100V37-K74 PolarHBondContact O-NZ 3.32Å; E42-K74 WeakPolarHBondContact OE1-CE 3.41Å; E42-K74 VanDerWaalsContact OE1-CG 3.3Å; E42-K74 WeakPolarHBondContact OE1-CG 3.43Å; S71-K74 PolarHBondContact N-O 3.33Å; S71-K74 PolarHBondContact OG-N 2.95Å; S71-K74 PolarHBondContact OG-O 3.34Å; K74-L95 HydrophobicContact CB-CD2 4.38Å; K74-L95 HydrophobicContact CD-CD2 3.7Å; K74-D99 HydrophobicContact CD-CB 4.19Å; K74-D99 WeakPolarHBondContact CD-OD2 3.4Å; K74-D99 WeakPolarHBondContact CE-OD2 3.3Å; K74-D99 IonicContact NZ-OD2 3.13Å; K74-D99 PolarHBondContact NZ-OD2 2.96Å; K74-V100 CarbonylContact C-O 3.53Å; K74-V100 WeakPolarHBondContact CA-O 3.46Å
75I93.8Very high83.4Confident2 Ų242 Ų421%0.0123%0.229CC..EExtended strand (participates in β ladder)trans-100.4120.3160.6-64.3172.5000106.3L68 I69 D99 V100 L102 I105 I136 A186L68-I75 HydrophobicContact CD1-CG2 3.54Å; L68-I75 HydrophobicContact CG-CG2 4.23Å; I69-I75 CarbonylContact O-C 3.51Å; I69-I75 VanDerWaalsContact O-CA 3.31Å; I69-I75 WeakPolarHBondContact O-CA 3.41Å; I75-D99 CarbonylContact O-C 3.55Å; I75-D99 WeakPolarHBondContact O-CA 3.18Å; I75-V100 PolarHBondContact N-O 3.48Å; I75-V100 PolarHBondContact O-N 2.97Å; I75-L102 HydrophobicContact CD1-CD2 4.15Å; I75-L102 HydrophobicContact CG1-CD2 3.83Å; I75-I105 HydrophobicContact CD1-CD1 3.56Å; I75-I105 HydrophobicContact CG1-CD1 4.33Å; I75-I136 HydrophobicContact CD1-CD1 3.63Å; I75-I136 HydrophobicContact CG2-CD1 4.49Å; I75-A186 HydrophobicContact CD1-CB 4Å
76S92.6Very high81.9Confident8 Ų843.3 Ų43.36%0.05624%0.238CC..EExtended strand (participates in β ladder)trans-109.6135-179.7-172.80000109.8I69 D99I69-S76 PolarHBondContact N-O 3.35Å; I69-S76 PolarHBondContact O-N 2.91Å; S76-D99 WeakPolarHBondContact CA-OD1 3.21Å; S76-D99 WeakPolarHBondContact CB-OD1 3.47Å; S76-D99 PolarHBondContact OG-OD1 3.14Å
77F92.4Very high80.2Confident6 Ų651.5 Ų51.53%0.02627%0.271CS..EExtended strand (participates in β ladder)trans-118118.9172.3177.3-99.4000108.8V51 K53 L64 K67 L68 T79 H98 F146V51-F77 HydrophobicContact CB-CE2 4.35Å; V51-F77 WeakPolarHBondContact O-CE2 3.22Å; K53-F77 HydrophobicContact CB-CD1 4.02Å; K53-F77 HydrophobicContact CB-CD2 4.34Å; K53-F77 HydrophobicContact CB-CE1 3.58Å; K53-F77 HydrophobicContact CB-CE2 3.94Å; K53-F77 HydrophobicContact CB-CG 4.37Å; K53-F77 HydrophobicContact CB-CZ 3.53Å; K53-F77 HydrophobicContact CD-CD1 3.56Å; K53-F77 HydrophobicContact CD-CE1 3.81Å; K53-F77 HydrophobicContact CD-CG 4.13Å; K53-F77 HydrophobicContact CG-CD1 4.41Å; K53-F77 HydrophobicContact CG-CE1 4.35Å; L64-F77 HydrophobicContact CB-CE1 3.89Å; L64-F77 HydrophobicContact CB-CZ 4.17Å; L64-F77 WeakPolarHBondContact O-CZ 3.37Å; K67-F77 WeakPolarHBondContact O-CA 3.44Å; L68-F77 HydrophobicContact CD1-CB 4.13Å; L68-F77 HydrophobicContact CD1-CD2 4.27Å; F77-T79 HydrophobicContact CE1-CG2 4.16Å; F77-H98 HydrophobicContact CB-CB 4Å; F77-H98 HydrophobicContact CD1-CB 4.1Å; F77-H98 AromaticContact CD1-CD2 3.8Å; F77-H98 WeakPolarHBondContact O-CB 3.45Å; F77-F146 HydrophobicContact CB-CE1 3.81Å; F77-F146 HydrophobicContact CB-CZ 4.13Å; F77-F146 HydrophobicContact CD2-CD1 4.08Å; F77-F146 AromaticContact CD2-CE1 3.63Å; F77-F146 HydrophobicContact CD2-CE1 3.63Å; F77-F146 HydrophobicContact CE2-CD1 4.45Å; F77-F146 HydrophobicContact CE2-CE1 4.35Å; F77-F146 AromaticContact CG-CE1 3.73Å; F77-F146 HydrophobicContact CG-CE1 3.73Å
78I89.2Confident78.7Confident29 Ų2953.7 Ų53.715%0.14928%0.28CS..EExtended strand (participates in β ladder)trans-112.3126.1-175.1-47.8178.6000108.1L34 P36 G66 K67 I69L34-I78 HydrophobicContact CB-CG2 4.08Å; L34-I78 HydrophobicContact CD2-CG2 3.62Å; L34-I78 HydrophobicContact CG-CG2 4.33Å; P36-I78 HydrophobicContact CB-CD1 4.01Å; G66-I78 CarbonylContact C-O 3.48Å; G66-I78 WeakPolarHBondContact CA-O 3.46Å; K67-I78 PolarHBondContact N-O 3.4Å; K67-I78 PolarHBondContact O-N 3.28Å; I69-I78 HydrophobicContact CD1-CD1 3.62Å; I69-I78 HydrophobicContact CD1-CG1 4.42Å
79T87.1Confident76.9Confident28 Ų2863.1 Ų63.117%0.17232%0.324CS..  trans-131.7143.4178.6-177.20000109.6L64 W65 F77 D81L64-T79 HydrophobicContact CD1-CG2 4.21Å; W65-T79 VanDerWaalsContact O-CB 3.25Å; W65-T79 WeakPolarHBondContact O-CB 3.21Å; W65-T79 PolarHBondContact O-OG1 3.45Å; F77-T79 HydrophobicContact CE1-CG2 4.16Å; T79-D81 PolarHBondContact OG1-N 2.7Å
80D77.7Confident75.3Confident112 Ų11271.6 Ų71.660%0.59936%0.357SS*.  trans-87.5-12.7171.3-78.7-43.5000112.3L34 P82L34-D80 HydrophobicContact CD2-CB 4.47Å; L34-D80 WeakPolarHBondContact CD2-OD1 3.36Å; L34-D80 WeakPolarHBondContact CD2-OD2 3.34Å; L34-D80 WeakPolarHBondContact CG-OD2 3.18Å; D80-P82 VanDerWaalsContact O-CD 3.25Å; D80-P82 WeakPolarHBondContact O-CD 3.43Å
81D72.6Confident73.9Confident87 Ų8780.7 Ų80.747%0.46539%0.391SS..SBendtrans-74.3115.1-174.7-166-8000109.8L64 T79 M83L64-D81 HydrophobicContact CD2-CB 4.09Å; T79-D81 PolarHBondContact OG1-N 2.7Å; D81-M83 PolarHBondContact O-N 3.25Å
82P61.2Low72.8Confident107 Ų10784.1 Ų84.170%0.69541%0.409SS*.  trans-68.997.218028.5-34.4000109.7D80 P84D80-P82 VanDerWaalsContact O-CD 3.25Å; D80-P82 WeakPolarHBondContact O-CD 3.43Å; P82-P84 WeakPolarHBondContact O-CD 3.36Å; P82-P84 VanDerWaalsContact O-N 3.12Å
83M64.8Low72Confident40 Ų4090.4 Ų90.420%0.19744%0.442CS..  trans-61.1115.3177.9-177.3136-9100110.7I55 Y62 L64 D81 L85 Q86I55-M83 HydrophobicContact CG1-CE 3.98Å; I55-M83 HydrophobicContact CG1-SD 4.34Å; I55-M83 HydrophobicContact CG2-CE 4.34Å; I55-M83 HydrophobicContact CG2-SD 4.38Å; Y62-M83 WeakPolarHBondContact O-CE 3.47Å; L64-M83 HydrophobicContact CD1-CE 3.87Å; L64-M83 HydrophobicContact CD1-SD 3.76Å; L64-M83 HydrophobicContact CD2-CB 4.48Å; L64-M83 HydrophobicContact CD2-CE 3.45Å; L64-M83 VanDerWaalsContact CD2-CE 3.45Å; L64-M83 HydrophobicContact CD2-SD 4.25Å; L64-M83 HydrophobicContact CG-CE 3.65Å; L64-M83 HydrophobicContact CG-SD 4.25Å; D81-M83 PolarHBondContact O-N 3.25Å; M83-L85 VanDerWaalsContact C-N 3.34Å; M83-L85 PolarHBondContact O-N 3.04Å; M83-Q86 HydrophobicContact CG-CB 4.44Å; M83-Q86 HydrophobicContact SD-CB 4.44Å
84P51.9Low71.3Confident113 Ų11392 Ų9273%0.73445%0.453SS*.SBendtrans-81-14.9-176.227.8-27.7000113.1P82P82-P84 WeakPolarHBondContact O-CD 3.36Å; P82-P84 VanDerWaalsContact O-N 3.12Å
85L53.2Low70.9Confident122 Ų12293.1 Ų93.164%0.63946%0.459SS*.SBendtrans-111.1-15.5-159-81.9155.1000116.2Y62 M83Y62-L85 HydrophobicContact CD1-CD1 3.81Å; Y62-L85 HydrophobicContact CE1-CD1 3.62Å; M83-L85 VanDerWaalsContact C-N 3.34Å; M83-L85 PolarHBondContact O-N 3.04Å
86Q56.6Low70.4Confident86 Ų8694.8 Ų94.840%0.40248%0.477SS..  trans-131.275.9-172.1-154.8166.556.100111.9M83 F88M83-Q86 HydrophobicContact CG-CB 4.44Å; M83-Q86 HydrophobicContact SD-CB 4.44Å; Q86-F88 HydrophobicContact CG-CE1 4.29Å; Q86-F88 HydrophobicContact CG-CE2 4.21Å; Q86-F88 HydrophobicContact CG-CZ 4Å; Q86-F88 WeakPolarHBondContact O-CD2 3.05Å; Q86-F88 PolarHBondContact O-N 2.58Å; Q86-F88 VanDerWaalsContact OE1-CZ 3.31Å
87K54.5Low69.9Low183 Ų18398.8 Ų98.880%0.79650%0.495SS*.  trans-69.6101.6165.7-68.1-175.3-179.3177.70107.9H89K87-H89 PolarHBondContact O-CD2 2.88Å; K87-H89 PolarHBondContact O-N 2.86Å
88F58.6Low69.6Low77 Ų7799.3 Ų99.334%0.33850%0.497SS..  trans-60.9114.9169.4-64.7-86.2000108.6Q86 Y90 E97Q86-F88 HydrophobicContact CG-CE1 4.29Å; Q86-F88 HydrophobicContact CG-CE2 4.21Å; Q86-F88 HydrophobicContact CG-CZ 4Å; Q86-F88 WeakPolarHBondContact O-CD2 3.05Å; Q86-F88 PolarHBondContact O-N 2.58Å; Q86-F88 VanDerWaalsContact OE1-CZ 3.31Å; F88-Y90 PolarHBondContact O-N 2.82Å; F88-Y90 VanDerWaalsContact O-N 3.15Å; F88-E97 HydrophobicContact CD2-CG 3.42Å; F88-E97 VanDerWaalsContact CD2-CG 3.42Å; F88-E97 VanDerWaalsContact CD2-OE1 3.24Å; F88-E97 WeakPolarHBondContact CD2-OE1 3.2Å; F88-E97 HydrophobicContact CE2-CG 3.64Å; F88-E97 WeakPolarHBondContact CE2-OE1 3.34Å; F88-E97 HydrophobicContact CG-CG 4.44Å
89H55.5Low69.7Low199 Ų19998.3 Ų98.392%0.92149%0.493SS*.SBendtrans-67.2-10.5178-76.5-115.2000112.4K87K87-H89 PolarHBondContact O-CD2 2.88Å; K87-H89 PolarHBondContact O-N 2.86Å
90Y58.6Low70Confident179 Ų17997.1 Ų97.170%0.70249%0.485SS*.  trans-119.4119.7173.4-174.9-97.2000109.5F88F88-Y90 PolarHBondContact O-N 2.82Å; F88-Y90 VanDerWaalsContact O-N 3.15Å
91R63.1Low70.6Confident193 Ų19392.5 Ų92.573%0.72846%0.461SS*.  trans-107.7125.6172.7-69.6-169.9173.5-165.5-6.1109
92N69.7Low71.6Confident73 Ų7388.4 Ų88.439%0.3944%0.439SS..  trans-75135.5171.4-141.1-68.4000108.3L94 L95N92-L94 VanDerWaalsContact C-N 3.28Å; N92-L95 HydrophobicContact CB-CB 3.85Å; N92-L95 VanDerWaalsContact O-O 3.14Å
93L75.5Confident72.9Confident174 Ų17486.1 Ų86.191%0.91142%0.423SS*.SBendtrans-76.4-20.1179.7-65.5174.5000112.5
94L75.8Confident74.2Confident109 Ų10985.1 Ų85.157%0.57142%0.42SS*.SBendtrans-108.5-20.5-175.8-60.1177.3000113.5L39 N92L39-L94 HydrophobicContact CD2-CD2 4.4Å; N92-L94 VanDerWaalsContact C-N 3.28Å
95L83.8Confident76.2Confident28 Ų2879.7 Ų79.715%0.14739%0.385CS..SBendtrans-117.5137.9-176.1-62.7173.7000109.5F73 K74 N92 D99 P101F73-L95 HydrophobicContact CE1-CD2 3.7Å; F73-L95 HydrophobicContact CZ-CD2 4.37Å; K74-L95 HydrophobicContact CB-CD2 4.38Å; K74-L95 HydrophobicContact CD-CD2 3.7Å; N92-L95 HydrophobicContact CB-CB 3.85Å; N92-L95 VanDerWaalsContact O-O 3.14Å; L95-D99 HydrophobicContact CB-CB 4.02Å; L95-D99 HydrophobicContact CD2-CB 4.25Å; L95-P101 HydrophobicContact CD1-CB 4.12Å; L95-P101 HydrophobicContact CD1-CG 3.79Å; L95-P101 HydrophobicContact CD2-CB 4.47Å
96G83Confident78Confident37 Ų3779.3 Ų79.338%0.38138%0.38SS..  trans-62.8166.7171.200000112.1H98 D99G96-H98 PolarHBondContact O-N 2.88Å; G96-H98 VanDerWaalsContact O-N 3.12Å; G96-D99 WeakPolarHBondContact CA-OD2 3.38Å; G96-D99 VanDerWaalsContact N-CG 3.29Å; G96-D99 PolarHBondContact N-OD2 3.04Å; G96-D99 PolarHBondContact O-N 2.8Å; G96-D99 VanDerWaalsContact O-N 3.14Å
97E82.6Confident79.7Confident92 Ų9278.9 Ų78.943%0.4338%0.378SS..THydrogen-bonded Turntrans-58.4-29.5-174.8-170.6170.6152.800113.7F88F88-E97 HydrophobicContact CD2-CG 3.42Å; F88-E97 VanDerWaalsContact CD2-CG 3.42Å; F88-E97 VanDerWaalsContact CD2-OE1 3.24Å; F88-E97 WeakPolarHBondContact CD2-OE1 3.2Å; F88-E97 HydrophobicContact CE2-CG 3.64Å; F88-E97 WeakPolarHBondContact CE2-OE1 3.34Å; F88-E97 HydrophobicContact CG-CG 4.44Å
98H87.6Confident81.5Confident17 Ų1770.3 Ų70.38%0.07934%0.341CS..THydrogen-bonded Turntrans-115.49.2-178.1-57.7-30.5000113.1K53 F77 G96K53-H98 PolarHBondContact NZ-ND1 3.15Å; F77-H98 HydrophobicContact CB-CB 4Å; F77-H98 HydrophobicContact CD1-CB 4.1Å; F77-H98 AromaticContact CD1-CD2 3.8Å; F77-H98 WeakPolarHBondContact O-CB 3.45Å; G96-H98 PolarHBondContact O-N 2.88Å; G96-H98 VanDerWaalsContact O-N 3.12Å
99D90.8Very high83.1Confident9 Ų966.8 Ų66.85%0.04833%0.325CS..  trans-76.3138.5-177.9-70.50.3000111K74 I75 S76 L95 G96K74-D99 HydrophobicContact CD-CB 4.19Å; K74-D99 WeakPolarHBondContact CD-OD2 3.4Å; K74-D99 WeakPolarHBondContact CE-OD2 3.3Å; K74-D99 IonicContact NZ-OD2 3.13Å; K74-D99 PolarHBondContact NZ-OD2 2.96Å; I75-D99 CarbonylContact O-C 3.55Å; I75-D99 WeakPolarHBondContact O-CA 3.18Å; S76-D99 WeakPolarHBondContact CA-OD1 3.21Å; S76-D99 WeakPolarHBondContact CB-OD1 3.47Å; S76-D99 PolarHBondContact OG-OD1 3.14Å; L95-D99 HydrophobicContact CB-CB 4.02Å; L95-D99 HydrophobicContact CD2-CB 4.25Å; G96-D99 WeakPolarHBondContact CA-OD2 3.38Å; G96-D99 VanDerWaalsContact N-CG 3.29Å; G96-D99 PolarHBondContact N-OD2 3.04Å; G96-D99 PolarHBondContact O-N 2.8Å; G96-D99 VanDerWaalsContact O-N 3.14Å
100V92Very high84.9Confident2 Ų257.3 Ų57.31%0.01228%0.282CS..EExtended strand (participates in β ladder)trans-117.9111.4173.9-176.30000108.1K74 I75 I105 I136 V144K74-V100 CarbonylContact C-O 3.53Å; K74-V100 WeakPolarHBondContact CA-O 3.46Å; I75-V100 PolarHBondContact N-O 3.48Å; I75-V100 PolarHBondContact O-N 2.97Å; V100-I105 HydrophobicContact CG1-CD1 4.28Å; V100-I105 HydrophobicContact CG1-CG1 3.74Å; V100-I136 HydrophobicContact CG1-CG2 4.45Å; V100-V144 HydrophobicContact CG2-CG2 3.97Å
101P91.9Very high86.4Confident16 Ų1649.5 Ų49.510%0.10425%0.252CS..EExtended strand (participates in β ladder)trans-68.5139.7177.928.7-30.8000109.2L95 T103 C104L95-P101 HydrophobicContact CD1-CB 4.12Å; L95-P101 HydrophobicContact CD1-CG 3.79Å; L95-P101 HydrophobicContact CD2-CB 4.47Å; P101-T103 PolarHBondContact O-N 3.25Å; P101-C104 HydrophobicContact CG-CB 3.7Å; P101-C104 WeakPolarHBondContact O-CB 3.45Å; P101-C104 PolarHBondContact O-N 3.26Å
102L92.1Very high87.7Confident0 Ų040.6 Ų40.60%022%0.219CC..THydrogen-bonded Turntrans-60.1-25.6-176.6-66.6178.8000112.5F73 I75 C104 I105 K189 L190 L193F73-L102 WeakPolarHBondContact O-CG 3.47Å; F73-L102 PolarHBondContact O-N 2.97Å; I75-L102 HydrophobicContact CD1-CD2 4.15Å; I75-L102 HydrophobicContact CG1-CD2 3.83Å; L102-C104 VanDerWaalsContact C-N 3.31Å; L102-C104 PolarHBondContact O-N 3.45Å; L102-I105 HydrophobicContact CD2-CD1 3.79Å; L102-I105 PolarHBondContact O-N 3.37Å; L102-K189 HydrophobicContact CD1-CB 3.96Å; L102-K189 HydrophobicContact CD1-CG 3.31Å; L102-L190 WeakPolarHBondContact O-CD1 3.4Å; L102-L193 HydrophobicContact CB-CD1 3.48Å; L102-L193 VanDerWaalsContact CB-CD1 3.48Å; L102-L193 HydrophobicContact CD1-CD1 4.09Å; L102-L193 HydrophobicContact CG-CD1 4.47Å
103T90.3Very high88.4Confident59 Ų5941.6 Ų41.636%0.36223%0.225SC..THydrogen-bonded Turntrans-70.4-24.5176.254.50000113.8P101 K139P101-T103 PolarHBondContact O-N 3.25Å; T103-K139 PolarHBondContact O-NZ 3.09Å
104C91.5Very high88.8Confident19 Ų1939.7 Ų39.713%0.12821%0.211CC..THydrogen-bonded Turntrans-84.2-17.7176.2-167.70000112P101 L102 E106 C138 K139 D140P101-C104 HydrophobicContact CG-CB 3.7Å; P101-C104 WeakPolarHBondContact O-CB 3.45Å; P101-C104 PolarHBondContact O-N 3.26Å; L102-C104 VanDerWaalsContact C-N 3.31Å; L102-C104 PolarHBondContact O-N 3.45Å; C104-E106 PolarHBondContact O-N 3.36Å; C104-C138 CarbonylContact O-C 3.58Å; C104-C138 WeakPolarHBondContact O-CA 3.36Å; C104-K139 WeakPolarHBondContact O-CG 3.37Å; C104-K139 PolarHBondContact O-N 3.46Å; C104-D140 PolarHBondContact SG-OD2 2.89Å; C104-D140 VanDerWaalsContact SG-OD2 3.37Å
105I93.1Very high89.2Confident0 Ų040 Ų400%021%0.208CC..EExtended strand (participates in β ladder)trans-69.9127.3179.1-54.9177.2000109.9I75 V100 L102 I108 I136 L190I75-I105 HydrophobicContact CD1-CD1 3.56Å; I75-I105 HydrophobicContact CG1-CD1 4.33Å; V100-I105 HydrophobicContact CG1-CD1 4.28Å; V100-I105 HydrophobicContact CG1-CG1 3.74Å; L102-I105 HydrophobicContact CD2-CD1 3.79Å; L102-I105 PolarHBondContact O-N 3.37Å; I105-I108 HydrophobicContact CG2-CD1 4.3Å; I105-I108 HydrophobicContact CG2-CG1 3.72Å; I105-I136 HydrophobicContact CB-CG2 4.35Å; I105-I136 HydrophobicContact CD1-CG2 4.05Å; I105-I136 HydrophobicContact CG1-CG2 3.81Å; I105-I136 HydrophobicContact CG2-CG2 3.79Å; I105-L190 HydrophobicContact CB-CD1 4.04Å; I105-L190 HydrophobicContact CB-CD2 4.21Å; I105-L190 HydrophobicContact CG2-CD1 4.38Å; I105-L190 HydrophobicContact CG2-CD2 3.62Å; I105-L190 WeakPolarHBondContact O-CD1 3.46Å
106E91.8Very high89.2Confident113 Ų11350 Ų5053%0.52824%0.243SC..EExtended strand (participates in β ladder)trans-92.7-51173-176.5167.5-166.500110.3C104 Y137 K139 K194C104-E106 PolarHBondContact O-N 3.36Å; E106-Y137 WeakPolarHBondContact CB-O 3.46Å; E106-Y137 PolarHBondContact N-O 3.03Å; E106-K139 HydrophobicContact CB-CG 4Å; E106-K194 PolarHBondContact O-NZ 2.97Å
107Q91.8Very high89.4Confident78 Ų7853.6 Ų53.636%0.36425%0.249SC..EExtended strand (participates in β ladder)trans-146.6141-173.3-170.617858.900111.3V109 V120 Y137Q107-V109 HydrophobicContact CG-CG2 4.12Å; Q107-V120 HydrophobicContact CG-CG1 3.64Å; Q107-V120 VanDerWaalsContact NE2-CG1 3.29Å; Q107-Y137 HydrophobicContact CB-CD2 4.32Å; Q107-Y137 PolarHBondContact N-O 3.18Å; Q107-Y137 PolarHBondContact O-N 3.04Å
108I92.8Very high89.7Confident3 Ų355.3 Ų55.32%0.01526%0.257CS..EExtended strand (participates in β ladder)trans-113.3130.8172.8-59.6179.1000108.1I105 L121 L134 A186 L190I105-I108 HydrophobicContact CG2-CD1 4.3Å; I105-I108 HydrophobicContact CG2-CG1 3.72Å; I108-L121 HydrophobicContact CG2-CD1 4.21Å; I108-L121 PolarHBondContact O-N 3.21Å; I108-L134 HydrophobicContact CG2-CD1 3.38Å; I108-A186 HydrophobicContact CD1-CB 3.89Å; I108-L190 HydrophobicContact CD1-CD2 4.22Å; I108-L190 HydrophobicContact CG1-CD2 4.18Å
109V92.9Very high89.8Confident2 Ų256.7 Ų56.71%0.01226%0.263CS..EExtended strand (participates in β ladder)trans-125.8133.2-179.1177.40000109Q107 V111 Q118 V120 I135 Y137Q107-V109 HydrophobicContact CG-CG2 4.12Å; V109-V111 HydrophobicContact CG1-CG2 4.39Å; V109-Q118 HydrophobicContact CG1-CG 3.64Å; V109-V120 HydrophobicContact CG2-CG2 3.99Å; V109-I135 HydrophobicContact CB-CB 4.21Å; V109-I135 PolarHBondContact N-O 3.32Å; V109-I135 PolarHBondContact O-N 3.3Å; V109-Y137 HydrophobicContact CB-CE2 4.22Å; V109-Y137 HydrophobicContact CG2-CD2 4Å; V109-Y137 HydrophobicContact CG2-CE2 3.63Å
110T92.2Very high89.7Confident0 Ų059.6 Ų59.60%028%0.28CS..EExtended strand (participates in β ladder)trans-107.5138.3173.847.20000109.6Q118 K119 L121 L127 P131 E133 L134 V183T110-Q118 CarbonylContact O-C 3.44Å; T110-Q118 WeakPolarHBondContact O-CA 3.5Å; T110-K119 PolarHBondContact N-O 3.49Å; T110-K119 PolarHBondContact O-N 3.46Å; T110-K119 PolarHBondContact OG1-O 3.14Å; T110-L121 HydrophobicContact CG2-CD1 3.48Å; T110-L121 VanDerWaalsContact CG2-CD1 3.48Å; T110-L121 HydrophobicContact CG2-CG 3.94Å; T110-L127 HydrophobicContact CG2-CD2 4.15Å; T110-P131 HydrophobicContact CG2-CB 3.99Å; T110-P131 HydrophobicContact CG2-CG 4.45Å; T110-E133 WeakPolarHBondContact CA-O 3.42Å; T110-L134 HydrophobicContact CG2-CD1 4.23Å; T110-V183 HydrophobicContact CG2-CG1 3.49Å; T110-V183 VanDerWaalsContact CG2-CG1 3.49Å
111V91.1Very high89.4Confident15 Ų1560.4 Ų60.49%0.09128%0.284CS..EExtended strand (participates in β ladder)trans-125.6142.9176-174.30000108V109 K117 Q118 P131 T132 E133 I135V109-V111 HydrophobicContact CG1-CG2 4.39Å; V111-K117 CarbonylContact C-O 3.48Å; V111-K117 WeakPolarHBondContact CA-O 3.47Å; V111-Q118 HydrophobicContact CG2-CB 4.3Å; V111-Q118 HydrophobicContact CG2-CG 3.95Å; V111-P131 CarbonylContact O-C 3.54Å; V111-P131 WeakPolarHBondContact O-CA 3.25Å; V111-T132 PolarHBondContact O-N 3.22Å; V111-T132 PolarHBondContact O-OG1 3.44Å; V111-E133 HydrophobicContact CB-CB 4.16Å; V111-E133 PolarHBondContact N-O 3.4Å; V111-E133 PolarHBondContact O-N 2.75Å; V111-I135 HydrophobicContact CG2-CD1 3.87Å
112N89.9Confident88.8Confident6 Ų660.7 Ų60.73%0.03229%0.29CS..EExtended strand (participates in β ladder)trans-128.5110.6166.1175.9-42.3000107.5H114 K115 R116 K117 F129 N130 T132N112-H114 WeakPolarHBondContact OD1-CB 3.34Å; N112-H114 PolarHBondContact OD1-N 3.49Å; N112-H114 VanDerWaalsContact OD1-N 3.07Å; N112-K115 WeakPolarHBondContact OD1-CB 3.34Å; N112-K115 PolarHBondContact OD1-N 3.2Å; N112-R116 WeakPolarHBondContact O-CA 3.28Å; N112-R116 PolarHBondContact O-N 3.46Å; N112-K117 PolarHBondContact N-O 2.89Å; N112-K117 PolarHBondContact O-N 3.08Å; N112-F129 HydrophobicContact CB-CD2 3.38Å; N112-F129 HydrophobicContact CB-CE2 3.62Å; N112-F129 HydrophobicContact CB-CG 4.36Å; N112-N130 WeakPolarHBondContact CB-O 3.04Å; N112-N130 PolarHBondContact ND2-O 3.22Å; N112-T132 WeakPolarHBondContact CA-OG1 3.06Å
113D84.9Confident87.5Confident94 Ų9463.2 Ų63.250%0.50331%0.307SS..THydrogen-bonded Turntrans-72-38.8-176.9-72.3-33000112.2K115 R116 T132D113-K115 VanDerWaalsContact C-N 3.3Å; D113-K115 PolarHBondContact O-N 3.43Å; D113-R116 PolarHBondContact O-N 2.9Å; D113-R116 VanDerWaalsContact O-N 3.08Å; D113-T132 PolarHBondContact N-OG1 3.1Å; D113-T132 VanDerWaalsContact N-OG1 3.07Å
114H83.8Confident86.3Confident134 Ų13467.5 Ų67.562%0.6233%0.328SS*.THydrogen-bonded Turntrans-57.9-42.7178.4-56.9-79.7000112.3N112 T132N112-H114 WeakPolarHBondContact OD1-CB 3.34Å; N112-H114 PolarHBondContact OD1-N 3.49Å; N112-H114 VanDerWaalsContact OD1-N 3.07Å; H114-T132 WeakPolarHBondContact CD2-CG2 3.48Å
115K82.9Confident85.3Confident116 Ų11670.7 Ų70.750%0.50434%0.341SS..THydrogen-bonded Turntrans-92.5-1.6-179.3-62.8-179.9-178.5169.70112.2N112 D113 K117 F129N112-K115 WeakPolarHBondContact OD1-CB 3.34Å; N112-K115 PolarHBondContact OD1-N 3.2Å; D113-K115 VanDerWaalsContact C-N 3.3Å; D113-K115 PolarHBondContact O-N 3.43Å; K115-K117 VanDerWaalsContact C-N 3.27Å; K115-K117 HydrophobicContact CB-CD 4.19Å; K115-K117 HydrophobicContact CB-CG 4.23Å; K115-K117 WeakPolarHBondContact O-CG 3.49Å; K115-K117 PolarHBondContact O-N 3.37Å; K115-F129 HydrophobicContact CD-CB 4.42Å
116R84.4Confident84.3Confident237 Ų23779.1 Ų79.189%0.89438%0.377SS*.THydrogen-bonded Turntrans45.349.3-171.3-63.7-169.5-177.9-145.41.7112.6N112 D113N112-R116 WeakPolarHBondContact O-CA 3.28Å; N112-R116 PolarHBondContact O-N 3.46Å; D113-R116 PolarHBondContact O-N 2.9Å; D113-R116 VanDerWaalsContact O-N 3.08Å
117K86.8Confident83.6Confident113 Ų11374.3 Ų74.349%0.49136%0.355SS..EExtended strand (participates in β ladder)trans-117.7135.5-179.7-72179.9-174.3179.20110.2V111 N112 K115 F129V111-K117 CarbonylContact C-O 3.48Å; V111-K117 WeakPolarHBondContact CA-O 3.47Å; N112-K117 PolarHBondContact N-O 2.89Å; N112-K117 PolarHBondContact O-N 3.08Å; K115-K117 VanDerWaalsContact C-N 3.27Å; K115-K117 HydrophobicContact CB-CD 4.19Å; K115-K117 HydrophobicContact CB-CG 4.23Å; K115-K117 WeakPolarHBondContact O-CG 3.49Å; K115-K117 PolarHBondContact O-N 3.37Å; K117-F129 HydrophobicContact CB-CD1 4.34Å; K117-F129 HydrophobicContact CB-CE1 4.23Å; K117-F129 HydrophobicContact CB-CZ 4.41Å; K117-F129 HydrophobicContact CD-CD1 4.35Å
118Q89.9Confident82.9Confident128 Ų12879.6 Ų79.660%0.59838%0.377SS*.EExtended strand (participates in β ladder)trans-129140.8170.1175175.7100109.1V109 T110 V111V109-Q118 HydrophobicContact CG1-CG 3.64Å; T110-Q118 CarbonylContact O-C 3.44Å; T110-Q118 WeakPolarHBondContact O-CA 3.5Å; V111-Q118 HydrophobicContact CG2-CB 4.3Å; V111-Q118 HydrophobicContact CG2-CG 3.95Å
119K89.1Confident82.5Confident47 Ų4780 Ų8020%0.20438%0.378CS..EExtended strand (participates in β ladder)trans-148125.7-178-172.1174.7174.1-1710111.5T110 L121 Q125 K126 F129T110-K119 PolarHBondContact N-O 3.49Å; T110-K119 PolarHBondContact O-N 3.46Å; T110-K119 PolarHBondContact OG1-O 3.14Å; K119-L121 PolarHBondContact O-N 3.08Å; K119-Q125 VanDerWaalsContact CE-NE2 3.34Å; K119-K126 PolarHBondContact NZ-O 3.06Å; K119-F129 HydrophobicContact CB-CE1 3.83Å; K119-F129 HydrophobicContact CB-CZ 3.96Å; K119-F129 HydrophobicContact CD-CE1 4.21Å
120V89.6Confident82.1Confident69 Ų6981.9 Ų81.942%0.41839%0.389SS..EExtended strand (participates in β ladder)trans-68.5124.4164.3178.40000108Q107 V109 G122 Q125Q107-V120 HydrophobicContact CG-CG1 3.64Å; Q107-V120 VanDerWaalsContact NE2-CG1 3.29Å; V109-V120 HydrophobicContact CG2-CG2 3.99Å; V120-G122 PolarHBondContact O-N 3.07Å; V120-Q125 PolarHBondContact O-OE1 3.44Å; V120-Q125 VanDerWaalsContact O-OE1 3.04Å
121L85.8Confident81.9Confident19 Ų1982.2 Ų82.210%0.09939%0.391CS..  trans-80.5111.6-179.8-78.1178.3000111.6I108 T110 K119 L127 V183 A187I108-L121 HydrophobicContact CG2-CD1 4.21Å; I108-L121 PolarHBondContact O-N 3.21Å; T110-L121 HydrophobicContact CG2-CD1 3.48Å; T110-L121 VanDerWaalsContact CG2-CD1 3.48Å; T110-L121 HydrophobicContact CG2-CG 3.94Å; K119-L121 PolarHBondContact O-N 3.08Å; L121-L127 HydrophobicContact CD2-CD1 4.22Å; L121-V183 HydrophobicContact CD1-CG1 3.16Å; L121-A187 HydrophobicContact CB-CB 4.05Å; L121-A187 HydrophobicContact CD1-CB 4.33Å
122G77.6Confident81.8Confident22 Ų2282.4 Ų82.423%0.22739%0.392CS..  trans-85.2167.1168.600000113.1V120 N124 Q125V120-G122 PolarHBondContact O-N 3.07Å; G122-N124 PolarHBondContact O-N 2.94Å; G122-Q125 VanDerWaalsContact N-OE1 3.09Å; G122-Q125 PolarHBondContact O-N 3.44Å
123P65.6Low81.9Confident53 Ų5382.4 Ų82.434%0.34439%0.392SS..THydrogen-bonded Turntrans-66.2-29.6-16826.5-37000116.2H191P123-H191 HydrophobicContact CB-CB 3.64Å; P123-H191 WeakPolarHBondContact CB-CD2 3.39Å; P123-H191 WeakPolarHBondContact CB-ND1 3.15Å
124N65.7Low82.2Confident150 Ų15078 Ų7880%0.80237%0.368SS*.THydrogen-bonded Turntrans-118.418.1-178.9-64.2-40.4000111.7G122 K126G122-N124 PolarHBondContact O-N 2.94Å; N124-K126 PolarHBondContact O-N 2.95Å
125Q70.5Confident82.7Confident86 Ų8672.4 Ų72.440%0.40234%0.342SS..PPolyproline II helixtrans-85.4116.2178.7-86.2-178.8-18.700110.1K119 V120 G122 L127K119-Q125 VanDerWaalsContact CE-NE2 3.34Å; V120-Q125 PolarHBondContact O-OE1 3.44Å; V120-Q125 VanDerWaalsContact O-OE1 3.04Å; G122-Q125 VanDerWaalsContact N-OE1 3.09Å; G122-Q125 PolarHBondContact O-N 3.44Å; Q125-L127 PolarHBondContact O-N 3.14Å
126K70.4Confident83.3Confident176 Ų17666.9 Ų66.977%0.76532%0.318SS*.PPolyproline II helixtrans-62.8128.9160-63-171.3178.2-170.60108.4K119 N124K119-K126 PolarHBondContact NZ-O 3.06Å; N124-K126 PolarHBondContact O-N 2.95Å
127L79Confident83.7Confident13 Ų1359.1 Ų59.17%0.06829%0.29CS..PPolyproline II helixtrans-73.9124.3170-172.752.1000106.6T110 L121 Q125 F129 P131 M180 V183 V184T110-L127 HydrophobicContact CG2-CD2 4.15Å; L121-L127 HydrophobicContact CD2-CD1 4.22Å; Q125-L127 PolarHBondContact O-N 3.14Å; L127-F129 HydrophobicContact CD1-CD1 4.04Å; L127-F129 HydrophobicContact CD1-CD2 4.32Å; L127-F129 HydrophobicContact CD1-CE1 3.83Å; L127-F129 HydrophobicContact CD1-CE2 4.13Å; L127-F129 HydrophobicContact CD1-CG 4.29Å; L127-F129 HydrophobicContact CD1-CZ 3.89Å; L127-F129 WeakPolarHBondContact CG-O 3.44Å; L127-P131 HydrophobicContact CD2-CB 4.44Å; L127-P131 HydrophobicContact CD2-CG 3.87Å; L127-M180 HydrophobicContact CB-CG 4.21Å; L127-M180 HydrophobicContact CB-SD 4.31Å; L127-M180 HydrophobicContact CD2-CG 4.14Å; L127-M180 HydrophobicContact CG-CG 4.45Å; L127-V183 HydrophobicContact CD2-CG1 4.1Å; L127-V184 HydrophobicContact CB-CG2 4.27Å
128K76.6Confident84Confident188 Ų18854 Ų5482%0.81727%0.268SS*.  trans-106.15.5-173.6-62.4-171.6177.5-175.30112.3
129F84.7Confident84.1Confident12 Ų1252 Ų525%0.05326%0.257CS..SBendtrans-148.9143.7-178.167.1-99.7000108.5N112 K115 K117 K119 L127N112-F129 HydrophobicContact CB-CD2 3.38Å; N112-F129 HydrophobicContact CB-CE2 3.62Å; N112-F129 HydrophobicContact CB-CG 4.36Å; K115-F129 HydrophobicContact CD-CB 4.42Å; K117-F129 HydrophobicContact CB-CD1 4.34Å; K117-F129 HydrophobicContact CB-CE1 4.23Å; K117-F129 HydrophobicContact CB-CZ 4.41Å; K117-F129 HydrophobicContact CD-CD1 4.35Å; K119-F129 HydrophobicContact CB-CE1 3.83Å; K119-F129 HydrophobicContact CB-CZ 3.96Å; K119-F129 HydrophobicContact CD-CE1 4.21Å; L127-F129 HydrophobicContact CD1-CD1 4.04Å; L127-F129 HydrophobicContact CD1-CD2 4.32Å; L127-F129 HydrophobicContact CD1-CE1 3.83Å; L127-F129 HydrophobicContact CD1-CE2 4.13Å; L127-F129 HydrophobicContact CD1-CG 4.29Å; L127-F129 HydrophobicContact CD1-CZ 3.89Å; L127-F129 WeakPolarHBondContact CG-O 3.44Å
130N83.1Confident84.1Confident42 Ų4253.1 Ų53.123%0.22527%0.265CS..  trans-71.2121.2177.8-53.6-15.9000108.3N112 E176 M180N112-N130 WeakPolarHBondContact CB-O 3.04Å; N112-N130 PolarHBondContact ND2-O 3.22Å; N130-E176 PolarHBondContact ND2-OE1 3.22Å; N130-E176 PolarHBondContact ND2-OE2 2.85Å; N130-M180 WeakPolarHBondContact OD1-CE 3.39Å
131P88.2Confident84Confident7 Ų759.2 Ų59.25%0.04529%0.287CS..  trans-74.1132.5-17930.8-31.7000109.8T110 V111 L127 F148 V179 V183T110-P131 HydrophobicContact CG2-CB 3.99Å; T110-P131 HydrophobicContact CG2-CG 4.45Å; V111-P131 CarbonylContact O-C 3.54Å; V111-P131 WeakPolarHBondContact O-CA 3.25Å; L127-P131 HydrophobicContact CD2-CB 4.44Å; L127-P131 HydrophobicContact CD2-CG 3.87Å; P131-F148 HydrophobicContact CG-CE2 4.34Å; P131-F148 WeakPolarHBondContact O-CD2 3.29Å; P131-V179 HydrophobicContact CG-CG1 3.83Å; P131-V183 HydrophobicContact CG-CG2 4.35Å
132T89.9Confident84.1Confident18 Ų1863.1 Ų63.111%0.1130%0.3CS..SBendtrans-84.9-23167.3580000111.2V111 N112 D113 H114 R147 F148V111-T132 PolarHBondContact O-N 3.22Å; V111-T132 PolarHBondContact O-OG1 3.44Å; N112-T132 WeakPolarHBondContact CA-OG1 3.06Å; D113-T132 PolarHBondContact N-OG1 3.1Å; D113-T132 VanDerWaalsContact N-OG1 3.07Å; H114-T132 WeakPolarHBondContact CD2-CG2 3.48Å; T132-R147 WeakPolarHBondContact O-CA 3.38Å; T132-F148 PolarHBondContact O-N 3.14Å
133E91.3Very high84.8Confident7 Ų767 Ų673%0.03332%0.315CS..EExtended strand (participates in β ladder)trans-143.2140.5-179.9-169.3-174.7158.500111.7T110 V111 I135 R145 F146 R147T110-E133 WeakPolarHBondContact CA-O 3.42Å; V111-E133 HydrophobicContact CB-CB 4.16Å; V111-E133 PolarHBondContact N-O 3.4Å; V111-E133 PolarHBondContact O-N 2.75Å; E133-I135 HydrophobicContact CG-CG1 4.18Å; E133-I135 WeakPolarHBondContact OE1-CG1 3.42Å; E133-R145 VanDerWaalsContact CD-NH2 3.3Å; E133-R145 IonicContact OE1-CZ 2.72Å; E133-R145 IonicContact OE1-NE 3.01Å; E133-R145 PolarHBondContact OE1-NE 2.8Å; E133-R145 IonicContact OE1-NH2 2.81Å; E133-R145 PolarHBondContact OE1-NH2 2.8Å; E133-R145 IonicContact OE2-NH2 3.14Å; E133-R145 PolarHBondContact OE2-NH2 2.89Å; E133-F146 CarbonylContact C-O 3.47Å; E133-F146 VanDerWaalsContact CA-O 3.29Å; E133-F146 WeakPolarHBondContact CA-O 3.47Å; E133-F146 VanDerWaalsContact CG-O 3.24Å; E133-F146 WeakPolarHBondContact CG-O 3.35Å; E133-R147 HydrophobicContact CB-CG 4.25Å; E133-R147 HydrophobicContact CG-CG 3.9Å
134L92.5Very high86.1Confident2 Ų265.2 Ų65.21%0.0130%0.303CS..EExtended strand (participates in β ladder)trans-112.5123.4171.2-179.268.4000109.6L68 I108 T110 I136 R145 F146 F148 V183L68-L134 HydrophobicContact CD2-CD2 4.26Å; I108-L134 HydrophobicContact CG2-CD1 3.38Å; T110-L134 HydrophobicContact CG2-CD1 4.23Å; L134-I136 HydrophobicContact CD2-CD1 4.31Å; L134-I136 HydrophobicContact CD2-CG1 4.41Å; L134-I136 HydrophobicContact CG-CG1 4.25Å; L134-R145 WeakPolarHBondContact O-CA 3.35Å; L134-F146 HydrophobicContact CB-CB 4.35Å; L134-F146 HydrophobicContact CD2-CD2 4.31Å; L134-F146 PolarHBondContact N-O 2.75Å; L134-F146 PolarHBondContact O-N 3.49Å; L134-F148 HydrophobicContact CB-CE2 3.69Å; L134-F148 HydrophobicContact CB-CZ 3.77Å; L134-F148 HydrophobicContact CD2-CZ 4.34Å; L134-V183 HydrophobicContact CD1-CG1 4.18Å; L134-V183 HydrophobicContact CD1-CG2 4Å; L134-V183 HydrophobicContact CD2-CG2 4.19Å
135I93.5Very high87.3Confident15 Ų1561.1 Ų61.18%0.07728%0.276CS..EExtended strand (participates in β ladder)trans-115.7124.8177.3-52.5175.2000108.6V109 V111 E133 Y137 I143 R145V109-I135 HydrophobicContact CB-CB 4.21Å; V109-I135 PolarHBondContact N-O 3.32Å; V109-I135 PolarHBondContact O-N 3.3Å; V111-I135 HydrophobicContact CG2-CD1 3.87Å; E133-I135 HydrophobicContact CG-CG1 4.18Å; E133-I135 WeakPolarHBondContact OE1-CG1 3.42Å; I135-Y137 HydrophobicContact CB-CE2 4.4Å; I135-Y137 HydrophobicContact CG2-CD2 4.21Å; I135-Y137 HydrophobicContact CG2-CE2 3.6Å; I135-I143 HydrophobicContact CG2-CG2 3.82Å; I135-R145 HydrophobicContact CG1-CG 4.27Å; I135-R145 HydrophobicContact CG2-CG 4.23Å
136I94.4Very high88.4Confident0 Ų057.1 Ų57.10%026%0.257CS..EExtended strand (participates in β ladder)trans-112.5116.9179.9-53.6-176.8000108.7I75 V100 I105 L134 V144 F146I75-I136 HydrophobicContact CD1-CD1 3.63Å; I75-I136 HydrophobicContact CG2-CD1 4.49Å; V100-I136 HydrophobicContact CG1-CG2 4.45Å; I105-I136 HydrophobicContact CB-CG2 4.35Å; I105-I136 HydrophobicContact CD1-CG2 4.05Å; I105-I136 HydrophobicContact CG1-CG2 3.81Å; I105-I136 HydrophobicContact CG2-CG2 3.79Å; L134-I136 HydrophobicContact CD2-CD1 4.31Å; L134-I136 HydrophobicContact CD2-CG1 4.41Å; L134-I136 HydrophobicContact CG-CG1 4.25Å; I136-V144 HydrophobicContact CB-CB 4.37Å; I136-V144 PolarHBondContact N-O 2.88Å; I136-V144 PolarHBondContact O-N 3.27Å; I136-F146 HydrophobicContact CD1-CD2 4.33Å; I136-F146 HydrophobicContact CD1-CE2 3.89Å
137Y94.1Very high89.4Confident74 Ų7451.9 Ų51.929%0.2923%0.233SC..EExtended strand (participates in β ladder)trans-92121.4171-64.8-88.5000109.2E106 Q107 V109 I135 I143E106-Y137 WeakPolarHBondContact CB-O 3.46Å; E106-Y137 PolarHBondContact N-O 3.03Å; Q107-Y137 HydrophobicContact CB-CD2 4.32Å; Q107-Y137 PolarHBondContact N-O 3.18Å; Q107-Y137 PolarHBondContact O-N 3.04Å; V109-Y137 HydrophobicContact CB-CE2 4.22Å; V109-Y137 HydrophobicContact CG2-CD2 4Å; V109-Y137 HydrophobicContact CG2-CE2 3.63Å; I135-Y137 HydrophobicContact CB-CE2 4.4Å; I135-Y137 HydrophobicContact CG2-CD2 4.21Å; I135-Y137 HydrophobicContact CG2-CE2 3.6Å; Y137-I143 HydrophobicContact CD1-CD1 4.3Å; Y137-I143 HydrophobicContact CD1-CG1 3.99Å; Y137-I143 HydrophobicContact CE1-CD1 3.92Å; Y137-I143 HydrophobicContact CE1-CG1 4.05Å; Y137-I143 HydrophobicContact CE1-CG2 4.33Å
138C92.8Very high89.8Confident5 Ų552.4 Ų52.43%0.03424%0.235CC..EExtended strand (participates in β ladder)trans-101.4149.9-180-57.20000110.7C104 D140 F141 R142C104-C138 CarbonylContact O-C 3.58Å; C104-C138 WeakPolarHBondContact O-CA 3.36Å; C138-D140 WeakPolarHBondContact CB-OD1 2.99Å; C138-D140 PolarHBondContact O-N 2.58Å; C138-F141 PolarHBondContact O-N 3.16Å; C138-R142 HydrophobicContact CB-CB 4.03Å; C138-R142 WeakPolarHBondContact CB-O 3.35Å; C138-R142 PolarHBondContact N-O 2.76Å
139K91.4Very high89.7Confident88 Ų8845.7 Ų45.738%0.38321%0.207SC..THydrogen-bonded Turntrans-65.5-18.6177.1-67.6171.3-172.6165.60113.4T103 C104 E106 F141T103-K139 PolarHBondContact O-NZ 3.09Å; C104-K139 WeakPolarHBondContact O-CG 3.37Å; C104-K139 PolarHBondContact O-N 3.46Å; E106-K139 HydrophobicContact CB-CG 4Å; K139-F141 PolarHBondContact O-N 2.76Å
140D88.6Confident88.5Confident69 Ų6952.4 Ų52.437%0.36924%0.239SC..THydrogen-bonded Turntrans-89.420.7174.160.711.3000112.5C104 C138 R142C104-D140 PolarHBondContact SG-OD2 2.89Å; C104-D140 VanDerWaalsContact SG-OD2 3.37Å; C138-D140 WeakPolarHBondContact CB-OD1 2.99Å; C138-D140 PolarHBondContact O-N 2.58Å; D140-R142 VanDerWaalsContact CG-NE 3.26Å; D140-R142 PolarHBondContact O-N 2.82Å; D140-R142 VanDerWaalsContact O-N 3.16Å; D140-R142 WeakPolarHBondContact OD1-CB 3.28Å; D140-R142 WeakPolarHBondContact OD1-CG 3.3Å; D140-R142 PolarHBondContact OD1-N 2.81Å; D140-R142 IonicContact OD1-NE 2.98Å; D140-R142 PolarHBondContact OD1-NE 2.82Å; D140-R142 VanDerWaalsContact OD1-NE 3.14Å; D140-R142 IonicContact OD2-CZ 2.86Å; D140-R142 IonicContact OD2-NE 2.78Å; D140-R142 PolarHBondContact OD2-NE 2.8Å; D140-R142 IonicContact OD2-NH2 2.81Å; D140-R142 PolarHBondContact OD2-NH2 2.84Å
141F88Confident87.1Confident197 Ų19753.7 Ų53.786%0.86425%0.251SS*.SBendtrans65.17.6179.9-50.2-76.6000115.2C138 K139C138-F141 PolarHBondContact O-N 3.16Å; K139-F141 PolarHBondContact O-N 2.76Å
142R89.4Confident85.4Confident102 Ų10254 Ų5439%0.38526%0.256SS..  trans-73.2136.9171.5-65-174.3-69.3165.5-5.3110.6C138 D140C138-R142 HydrophobicContact CB-CB 4.03Å; C138-R142 WeakPolarHBondContact CB-O 3.35Å; C138-R142 PolarHBondContact N-O 2.76Å; D140-R142 VanDerWaalsContact CG-NE 3.26Å; D140-R142 PolarHBondContact O-N 2.82Å; D140-R142 VanDerWaalsContact O-N 3.16Å; D140-R142 WeakPolarHBondContact OD1-CB 3.28Å; D140-R142 WeakPolarHBondContact OD1-CG 3.3Å; D140-R142 PolarHBondContact OD1-N 2.81Å; D140-R142 IonicContact OD1-NE 2.98Å; D140-R142 PolarHBondContact OD1-NE 2.82Å; D140-R142 VanDerWaalsContact OD1-NE 3.14Å; D140-R142 IonicContact OD2-CZ 2.86Å; D140-R142 IonicContact OD2-NE 2.78Å; D140-R142 PolarHBondContact OD2-NE 2.8Å; D140-R142 IonicContact OD2-NH2 2.81Å; D140-R142 PolarHBondContact OD2-NH2 2.84Å
143I91.4Very high83.6Confident103 Ų10356 Ų5653%0.52827%0.269SS..EExtended strand (participates in β ladder)trans-111.3114.5168-56.3176.3000106.6I135 Y137 R145I135-I143 HydrophobicContact CG2-CG2 3.82Å; Y137-I143 HydrophobicContact CD1-CD1 4.3Å; Y137-I143 HydrophobicContact CD1-CG1 3.99Å; Y137-I143 HydrophobicContact CE1-CD1 3.92Å; Y137-I143 HydrophobicContact CE1-CG1 4.05Å; Y137-I143 HydrophobicContact CE1-CG2 4.33Å; I143-R145 HydrophobicContact CG2-CG 4.11Å
144V91.9Very high81.5Confident16 Ų1660.9 Ų60.910%0.09729%0.292CS..EExtended strand (participates in β ladder)trans-109126.1178.9-170.90000108.3V100 I136 F146V100-V144 HydrophobicContact CG2-CG2 3.97Å; I136-V144 HydrophobicContact CB-CB 4.37Å; I136-V144 PolarHBondContact N-O 2.88Å; I136-V144 PolarHBondContact O-N 3.27Å; V144-F146 HydrophobicContact CB-CE2 4.4Å; V144-F146 HydrophobicContact CG1-CD2 4.31Å; V144-F146 HydrophobicContact CG1-CE1 4.27Å; V144-F146 HydrophobicContact CG1-CE2 3.49Å; V144-F146 VanDerWaalsContact CG1-CE2 3.49Å; V144-F146 HydrophobicContact CG1-CZ 3.47Å; V144-F146 VanDerWaalsContact CG1-CZ 3.47Å
145R92.4Very high79.2Confident64 Ų6463 Ų6324%0.24231%0.307CS..EExtended strand (participates in β ladder)trans-120.3131.5-174.6-61.6176.367.1-176.4-0.1109.8C54 E133 L134 I135 I143C54-R145 HydrophobicContact CB-CB 4.05Å; C54-R145 PolarHBondContact N-O 2.71Å; E133-R145 VanDerWaalsContact CD-NH2 3.3Å; E133-R145 IonicContact OE1-CZ 2.72Å; E133-R145 IonicContact OE1-NE 3.01Å; E133-R145 PolarHBondContact OE1-NE 2.8Å; E133-R145 IonicContact OE1-NH2 2.81Å; E133-R145 PolarHBondContact OE1-NH2 2.8Å; E133-R145 IonicContact OE2-NH2 3.14Å; E133-R145 PolarHBondContact OE2-NH2 2.89Å; L134-R145 WeakPolarHBondContact O-CA 3.35Å; I135-R145 HydrophobicContact CG1-CG 4.27Å; I135-R145 HydrophobicContact CG2-CG 4.23Å; I143-R145 HydrophobicContact CG2-CG 4.11Å
146F92.9Very high76.8Confident1 Ų166 Ų660%0.00433%0.334CS..EExtended strand (participates in β ladder)trans-126.1130.5175.9-59.5-76.5000108.9V51 R52 K53 L68 F77 E133 L134 I136 V144V51-F146 HydrophobicContact CG1-CB 3.78Å; V51-F146 HydrophobicContact CG1-CD1 3.99Å; V51-F146 HydrophobicContact CG1-CG 4.25Å; R52-F146 CarbonylContact O-C 3.51Å; R52-F146 VanDerWaalsContact O-CA 3.3Å; R52-F146 WeakPolarHBondContact O-CA 3.36Å; K53-F146 HydrophobicContact CB-CD1 3.84Å; K53-F146 HydrophobicContact CB-CE1 3.84Å; K53-F146 HydrophobicContact CD-CE1 3.98Å; K53-F146 HydrophobicContact CG-CD1 4.06Å; K53-F146 HydrophobicContact CG-CE1 3.74Å; L68-F146 HydrophobicContact CD1-CD1 4.12Å; L68-F146 HydrophobicContact CD1-CD2 4.3Å; L68-F146 HydrophobicContact CD1-CE1 3.74Å; L68-F146 HydrophobicContact CD1-CE2 3.92Å; L68-F146 HydrophobicContact CD1-CG 4.38Å; L68-F146 HydrophobicContact CD1-CZ 3.62Å; L68-F146 HydrophobicContact CD2-CD2 4.24Å; L68-F146 HydrophobicContact CD2-CG 4.21Å; F77-F146 HydrophobicContact CB-CE1 3.81Å; F77-F146 HydrophobicContact CB-CZ 4.13Å; F77-F146 HydrophobicContact CD2-CD1 4.08Å; F77-F146 AromaticContact CD2-CE1 3.63Å; F77-F146 HydrophobicContact CD2-CE1 3.63Å; F77-F146 HydrophobicContact CE2-CD1 4.45Å; F77-F146 HydrophobicContact CE2-CE1 4.35Å; F77-F146 AromaticContact CG-CE1 3.73Å; F77-F146 HydrophobicContact CG-CE1 3.73Å; E133-F146 CarbonylContact C-O 3.47Å; E133-F146 VanDerWaalsContact CA-O 3.29Å; E133-F146 WeakPolarHBondContact CA-O 3.47Å; E133-F146 VanDerWaalsContact CG-O 3.24Å; E133-F146 WeakPolarHBondContact CG-O 3.35Å; L134-F146 HydrophobicContact CB-CB 4.35Å; L134-F146 HydrophobicContact CD2-CD2 4.31Å; L134-F146 PolarHBondContact N-O 2.75Å; L134-F146 PolarHBondContact O-N 3.49Å; I136-F146 HydrophobicContact CD1-CD2 4.33Å; I136-F146 HydrophobicContact CD1-CE2 3.89Å; V144-F146 HydrophobicContact CB-CE2 4.4Å; V144-F146 HydrophobicContact CG1-CD2 4.31Å; V144-F146 HydrophobicContact CG1-CE1 4.27Å; V144-F146 HydrophobicContact CG1-CE2 3.49Å; V144-F146 VanDerWaalsContact CG1-CE2 3.49Å; V144-F146 HydrophobicContact CG1-CZ 3.47Å; V144-F146 VanDerWaalsContact CG1-CZ 3.47Å
147R90.8Very high74.3Confident66 Ų6674.4 Ų74.425%0.24937%0.37CS..EExtended strand (participates in β ladder)trans-104.9143170.7-68.5-174.8-165.2144.210.3110.4R52 D63 T132 E133R52-R147 HydrophobicContact CB-CB 4.37Å; R52-R147 PolarHBondContact N-O 2.92Å; R52-R147 PolarHBondContact O-N 3.32Å; D63-R147 IonicContact OD2-NH1 3.95Å; T132-R147 WeakPolarHBondContact O-CA 3.38Å; E133-R147 HydrophobicContact CB-CG 4.25Å; E133-R147 HydrophobicContact CG-CG 3.9Å
148F88.4Confident71.9Confident25 Ų2576.9 Ų76.911%0.1138%0.383CS..  trans-10789171.7-46.7-73.2000105.3V51 L68 P131 T132 L134 V179 V183V51-F148 HydrophobicContact CG1-CD1 4.21Å; V51-F148 HydrophobicContact CG1-CE1 4.03Å; V51-F148 HydrophobicContact CG2-CD1 4.06Å; V51-F148 HydrophobicContact CG2-CE1 4.06Å; L68-F148 HydrophobicContact CD2-CE1 4.39Å; P131-F148 HydrophobicContact CG-CE2 4.34Å; P131-F148 WeakPolarHBondContact O-CD2 3.29Å; T132-F148 PolarHBondContact O-N 3.14Å; L134-F148 HydrophobicContact CB-CE2 3.69Å; L134-F148 HydrophobicContact CB-CZ 3.77Å; L134-F148 HydrophobicContact CD2-CZ 4.34Å; F148-V179 HydrophobicContact CB-CG1 4.42Å; F148-V179 HydrophobicContact CB-CG2 4.37Å; F148-V179 HydrophobicContact CD1-CB 4.49Å; F148-V179 HydrophobicContact CD1-CG1 3.81Å; F148-V179 HydrophobicContact CD1-CG2 3.8Å; F148-V179 HydrophobicContact CD2-CG1 3.63Å; F148-V179 HydrophobicContact CE1-CG1 3.87Å; F148-V179 HydrophobicContact CE1-CG2 4.3Å; F148-V179 HydrophobicContact CE2-CG1 3.68Å; F148-V179 HydrophobicContact CG-CG1 3.68Å; F148-V179 HydrophobicContact CG-CG2 4.1Å; F148-V179 HydrophobicContact CZ-CG1 3.81Å; F148-V183 HydrophobicContact CE2-CG2 4.41Å; F148-V183 HydrophobicContact CZ-CG2 4.2Å
149D73.6Confident69.5Low46 Ų4685.1 Ų85.125%0.24642%0.421CS..  trans-85.3132179.2-64.9-32.4000108.9R52 W65 S151R52-D149 IonicContact CZ-OD2 2.75Å; R52-D149 IonicContact NE-OD2 3.16Å; R52-D149 PolarHBondContact NE-OD2 3.09Å; R52-D149 IonicContact NH2-OD2 2.65Å; R52-D149 PolarHBondContact NH2-OD2 2.8Å; W65-D149 HydrophobicContact CH2-CB 3.97Å; D149-S151 PolarHBondContact O-N 3.33Å; D149-S151 VanDerWaalsContact O-N 3.13Å
150E59.2Low67Low153 Ų15387.3 Ų87.372%0.71544%0.441SS*.SBendtrans-62.3-17.8174-64.7172169.600112.6
151S53.4Low64.6Low70 Ų7091.8 Ų91.849%0.4946%0.46SS..SBendtrans-108.576.1175.253.10000110W65 D149W65-S151 WeakPolarHBondContact CH2-O 3.2Å; D149-S151 PolarHBondContact O-N 3.33Å; D149-S151 VanDerWaalsContact O-N 3.13Å
152G53.6Low62.2Low13 Ų1387.4 Ų87.413%0.13445%0.45CS..  trans-51.516516500000111.5E154 S155G152-E154 PolarHBondContact O-N 2.83Å; G152-S155 PolarHBondContact O-N 2.89Å
153P51.2Low60.2Low60 Ų6092.2 Ų92.239%0.3947%0.473SS..THydrogen-bonded Turntrans-58.5-8.4177.624.2-33.8000113.9F50 W65F50-P153 HydrophobicContact CD1-CG 4.23Å; W65-P153 HydrophobicContact CD2-CG 4.28Å; W65-P153 HydrophobicContact CE3-CG 4.49Å; W65-P153 HydrophobicContact CG-CG 4.42Å
154E47.9Very low58.3Low110 Ų11094.5 Ų94.551%0.51449%0.486SS..THydrogen-bonded Turntrans-72-32.3171.3-134.3-155.6-158.400113.5G152 A156 K157 K158G152-E154 PolarHBondContact O-N 2.83Å; E154-A156 VanDerWaalsContact C-N 3.34Å; E154-A156 PolarHBondContact O-N 2.83Å; E154-K157 PolarHBondContact O-N 3.22Å; E154-K158 VanDerWaalsContact OE2-CE 3.28Å; E154-K158 WeakPolarHBondContact OE2-CE 3.24Å; E154-K158 IonicContact OE2-NZ 2.7Å; E154-K158 PolarHBondContact OE2-NZ 2.91Å
155S44.2Very low55.8Low46 Ų46102.2 Ų102.232%0.32252%0.523SS..Hα-helixtrans-72.1-27.7-178.2-59.40000112.7G152 K157 K158G152-S155 PolarHBondContact O-N 2.89Å; S155-K157 PolarHBondContact O-N 3.01Å; S155-K158 PolarHBondContact O-N 3.46Å; S155-K158 VanDerWaalsContact O-N 3.1Å
156A43Very low54Low79 Ų79108.1 Ų108.165%0.65355%0.553SS**Hα-helixtrans-66.1-19.717400000113.2E154E154-A156 VanDerWaalsContact C-N 3.34Å; E154-A156 PolarHBondContact O-N 2.83Å
157K42.8Very low51.8Low175 Ų175117 Ų11776%0.76159%0.593SS**Hα-helixtrans-90.9-16174-66.5179.1-177170.80113.1E154 S155E154-K157 PolarHBondContact O-N 3.22Å; S155-K157 PolarHBondContact O-N 3.01Å
158K43.7Very low49.9Very low127 Ų127116.1 Ų116.155%0.55260%0.595SS**Hα-helixtrans-83.9-13.4-176.9-71.4177.9-175.6166.50113.6E154 S155 T160 Q161E154-K158 VanDerWaalsContact OE2-CE 3.28Å; E154-K158 WeakPolarHBondContact OE2-CE 3.24Å; E154-K158 IonicContact OE2-NZ 2.7Å; E154-K158 PolarHBondContact OE2-NZ 2.91Å; S155-K158 PolarHBondContact O-N 3.46Å; S155-K158 VanDerWaalsContact O-N 3.1Å; K158-T160 PolarHBondContact O-N 2.85Å; K158-T160 VanDerWaalsContact O-N 3.09Å; K158-Q161 PolarHBondContact O-N 2.69Å
159E41.4Very low48.3Very low178 Ų178122.5 Ų122.583%0.83263%0.625SS**THydrogen-bonded Turntrans-66.6-10.4178.7-68.3-169.5176.300114.6
160T40Very low47.4Very low133 Ų133128 Ų12882%0.81665%0.649SS**THydrogen-bonded Turntrans-102.1-1.5179.4-31.10000114.6K158K158-T160 PolarHBondContact O-N 2.85Å; K158-T160 VanDerWaalsContact O-N 3.09Å
161Q37.7Very low47Very low164 Ų164126.1 Ų126.177%0.76664%0.642SS**SBendtrans-134.391.8179.8-152.4161.55.200113.3K158K158-Q161 PolarHBondContact O-N 2.69Å
162T37.7Very low47.4Very low104 Ų104128.8 Ų128.864%0.63865%0.647SS**  trans70100.3135.6-29.90000116.7L164T162-L164 VanDerWaalsContact C-N 3.34Å; T162-L164 PolarHBondContact O-N 3.36Å
163K48Very low47.9Very low203 Ų203134.6 Ų134.688%0.88367%0.67SS**SBendtrans-29.694134.6-172.8173.6-167.1168.30111.4
164L49.7Very low48.7Very low151 Ų151137.7 Ų137.779%0.79168%0.68SS**  trans172133.8149.8-92.6162.6000108.7T162T162-L164 VanDerWaalsContact C-N 3.34Å; T162-L164 PolarHBondContact O-N 3.36Å
165M40.1Very low49.9Very low178 Ų178137.1 Ų137.188%0.87768%0.677SS**  trans91.5100.6177.8-55.1-177.9179.300114.8F167M165-F167 PolarHBondContact O-N 3.19Å
166E55.8Low51.5Low188 Ų188138.4 Ų138.488%0.87968%0.678SS**  trans-53.1112.5156.6-71.9166144.500108.9
167F45.2Very low53.3Low189 Ų189140.9 Ų140.983%0.82968%0.676SS**  trans-171.7146.7154.5-92.8-70.5000108.6M165M165-F167 PolarHBondContact O-N 3.19Å
168P52.1Low55.3Low46 Ų46136.1 Ų136.130%0.29966%0.657SS.*  cis-135106.30.329.2-4.7000113.4E170 M171P168-E170 PolarHBondContact O-N 3.12Å; P168-M171 HydrophobicContact CB-CB 3.98Å; P168-M171 HydrophobicContact CG-CB 3.77Å; P168-M171 HydrophobicContact CG-CE 4.27Å; P168-M171 HydrophobicContact CG-SD 4.11Å; P168-M171 PolarHBondContact O-N 2.85Å
169Q53.5Low57.2Low160 Ų160130.7 Ų130.775%0.74863%0.634SS**Hα-helixtrans-60-27.2172-73.6179.8-88.400113.2E172 E173Q169-E172 PolarHBondContact O-N 3.27Å; Q169-E173 PolarHBondContact O-N 2.81Å
170E55.6Low59.3Low161 Ų161124.2 Ų124.275%0.75260%0.604SS**Hα-helixtrans-69.4-32.6179-64.1-179.1171.100112.9P168 E174P168-E170 PolarHBondContact O-N 3.12Å; E170-E174 PolarHBondContact O-N 3.14Å
171M51.3Low61.5Low114 Ų114121.7 Ų121.756%0.56258%0.583SS**Hα-helixtrans-74.1-32.6178-170.5178-72.900111.3P168 E175P168-M171 HydrophobicContact CB-CB 3.98Å; P168-M171 HydrophobicContact CG-CB 3.77Å; P168-M171 HydrophobicContact CG-CE 4.27Å; P168-M171 HydrophobicContact CG-SD 4.11Å; P168-M171 PolarHBondContact O-N 2.85Å; M171-E175 PolarHBondContact O-N 3.37Å
172E61.9Low63.9Low125 Ų125113.9 Ų113.958%0.58455%0.546SS*.Hα-helixtrans-69.6-41.1176.7-65.5176.9174.100111.5Q169 E174 E175 E176Q169-E172 PolarHBondContact O-N 3.27Å; E172-E174 VanDerWaalsContact C-N 3.31Å; E172-E174 PolarHBondContact O-N 2.92Å; E172-E175 PolarHBondContact O-N 2.81Å; E172-E176 WeakPolarHBondContact O-CG 3.37Å; E172-E176 PolarHBondContact O-N 2.93Å; E172-E176 VanDerWaalsContact O-N 3.14Å
173E63.5Low66.2Low135 Ų135108.9 Ų108.963%0.63152%0.516SS*.Hα-helixtrans-64.4-34.2175.6-73.9-173.3169.700112.5Q169 E177Q169-E173 PolarHBondContact O-N 2.81Å; E173-E177 PolarHBondContact O-N 2.93Å; E173-E177 VanDerWaalsContact O-N 3.1Å
174E68.4Low68.1Low126 Ų126100 Ų10059%0.58948%0.479SS*.Hα-helixtrans-67.9-44.4177.2-166.4172.1-166.800111.8E170 E172 E176 E177 E178E170-E174 PolarHBondContact O-N 3.14Å; E172-E174 VanDerWaalsContact C-N 3.31Å; E172-E174 PolarHBondContact O-N 2.92Å; E174-E176 PolarHBondContact O-N 3.45Å; E174-E177 PolarHBondContact O-N 2.72Å; E174-E178 PolarHBondContact O-N 2.8Å
175E73Confident69.9Low97 Ų9793.3 Ų93.345%0.45345%0.445SS..Hα-helixtrans-63.3-38.9175.3-72.8-168.3162.200112.2M171 E172 E177 E178 V179M171-E175 PolarHBondContact O-N 3.37Å; E172-E175 PolarHBondContact O-N 2.81Å; E175-E177 VanDerWaalsContact C-N 3.31Å; E175-E177 PolarHBondContact O-N 3.14Å; E175-E178 PolarHBondContact O-N 2.96Å; E175-V179 VanDerWaalsContact O-CG2 3.3Å; E175-V179 WeakPolarHBondContact O-CG2 3.36Å; E175-V179 PolarHBondContact O-N 3.29Å; E175-V179 VanDerWaalsContact O-N 3.08Å
176E76.8Confident72.1Confident73 Ų7384.9 Ų84.934%0.34140%0.404SS..Hα-helixtrans-63.2-36.9174.6-73.7-163.9127.700112.5N130 E172 E174 M180N130-E176 PolarHBondContact ND2-OE1 3.22Å; N130-E176 PolarHBondContact ND2-OE2 2.85Å; E172-E176 WeakPolarHBondContact O-CG 3.37Å; E172-E176 PolarHBondContact O-N 2.93Å; E172-E176 VanDerWaalsContact O-N 3.14Å; E174-E176 PolarHBondContact O-N 3.45Å; E176-M180 PolarHBondContact O-N 2.79Å; E176-M180 VanDerWaalsContact O-N 3.08Å
177E80.9Confident73.6Confident131 Ų13176.4 Ų76.461%0.61237%0.366SS*.Hα-helixtrans-67.8-42176.4-169.6170-171.600111.3E173 E174 E175 V179 M180 E181E173-E177 PolarHBondContact O-N 2.93Å; E173-E177 VanDerWaalsContact O-N 3.1Å; E174-E177 PolarHBondContact O-N 2.72Å; E175-E177 VanDerWaalsContact C-N 3.31Å; E175-E177 PolarHBondContact O-N 3.14Å; E177-V179 PolarHBondContact O-N 2.92Å; E177-M180 PolarHBondContact O-N 3.22Å; E177-E181 WeakPolarHBondContact O-CB 3.47Å; E177-E181 PolarHBondContact O-N 3.07Å
178E84.6Confident75.6Confident76 Ų7674.3 Ų74.336%0.35535%0.352SS..Hα-helixtrans-59.2-44.4174.9-70.7-171.3160.400112.1V48 E174 E175 M180 E181 L182V48-E178 HydrophobicContact CG2-CB 4.27Å; E174-E178 PolarHBondContact O-N 2.8Å; E175-E178 PolarHBondContact O-N 2.96Å; E178-M180 VanDerWaalsContact C-N 3.34Å; E178-M180 PolarHBondContact O-N 3.48Å; E178-E181 PolarHBondContact O-N 2.87Å; E178-L182 WeakPolarHBondContact O-CB 3.25Å; E178-L182 PolarHBondContact O-N 2.84Å
179V83.9Confident77.2Confident12 Ų1275.3 Ų75.37%0.07335%0.352CS..Hα-helixtrans-59.2-47.7175.6172.30000110.5V48 P131 F148 E175 E177 E181 L182 V183V48-V179 HydrophobicContact CG1-CG2 3.65Å; V48-V179 HydrophobicContact CG2-CG2 4.37Å; P131-V179 HydrophobicContact CG-CG1 3.83Å; F148-V179 HydrophobicContact CB-CG1 4.42Å; F148-V179 HydrophobicContact CB-CG2 4.37Å; F148-V179 HydrophobicContact CD1-CB 4.49Å; F148-V179 HydrophobicContact CD1-CG1 3.81Å; F148-V179 HydrophobicContact CD1-CG2 3.8Å; F148-V179 HydrophobicContact CD2-CG1 3.63Å; F148-V179 HydrophobicContact CE1-CG1 3.87Å; F148-V179 HydrophobicContact CE1-CG2 4.3Å; F148-V179 HydrophobicContact CE2-CG1 3.68Å; F148-V179 HydrophobicContact CG-CG1 3.68Å; F148-V179 HydrophobicContact CG-CG2 4.1Å; F148-V179 HydrophobicContact CZ-CG1 3.81Å; E175-V179 VanDerWaalsContact O-CG2 3.3Å; E175-V179 WeakPolarHBondContact O-CG2 3.36Å; E175-V179 PolarHBondContact O-N 3.29Å; E175-V179 VanDerWaalsContact O-N 3.08Å; E177-V179 PolarHBondContact O-N 2.92Å; V179-E181 PolarHBondContact O-N 3.13Å; V179-L182 PolarHBondContact O-N 2.81Å; V179-V183 HydrophobicContact CG1-CG2 4.49Å; V179-V183 WeakPolarHBondContact O-CB 3.41Å; V179-V183 VanDerWaalsContact O-CG2 3.22Å; V179-V183 WeakPolarHBondContact O-CG2 3.34Å; V179-V183 PolarHBondContact O-N 3.27Å
180M84.8Confident78.7Confident43 Ų4368.3 Ų68.321%0.21232%0.32CS..Hα-helixtrans-62.1-45-179.7-169.9172.8-51.800111.3L127 N130 E176 E177 E178 V183 V184L127-M180 HydrophobicContact CB-CG 4.21Å; L127-M180 HydrophobicContact CB-SD 4.31Å; L127-M180 HydrophobicContact CD2-CG 4.14Å; L127-M180 HydrophobicContact CG-CG 4.45Å; N130-M180 WeakPolarHBondContact OD1-CE 3.39Å; E176-M180 PolarHBondContact O-N 2.79Å; E176-M180 VanDerWaalsContact O-N 3.08Å; E177-M180 PolarHBondContact O-N 3.22Å; E178-M180 VanDerWaalsContact C-N 3.34Å; E178-M180 PolarHBondContact O-N 3.48Å; M180-V183 PolarHBondContact O-N 2.9Å; M180-V184 HydrophobicContact CG-CG2 4.45Å; M180-V184 WeakPolarHBondContact O-CB 3.49Å; M180-V184 WeakPolarHBondContact O-CG2 3.47Å; M180-V184 PolarHBondContact O-N 3.31Å
181E87.3Confident80.1Confident79 Ų7963.6 Ų63.637%0.36930%0.297SS..Hα-helixtrans-64.3-43.9178.2-80.9-66.2140.200112N46 E177 E178 V179 V183 V184 A185N46-E181 WeakPolarHBondContact ND2-CB 3.39Å; E177-E181 WeakPolarHBondContact O-CB 3.47Å; E177-E181 PolarHBondContact O-N 3.07Å; E178-E181 PolarHBondContact O-N 2.87Å; V179-E181 PolarHBondContact O-N 3.13Å; E181-V183 VanDerWaalsContact C-N 3.34Å; E181-V183 PolarHBondContact O-N 2.86Å; E181-V184 PolarHBondContact O-N 2.77Å; E181-A185 WeakPolarHBondContact O-CB 3.36Å; E181-A185 PolarHBondContact O-N 2.79Å
182L87.9Confident81.7Confident0 Ų060.9 Ų60.90%029%0.29CS..Hα-helixtrans-60-44.8176.8-180138.4000111.9N46 V48 L68 C70 E178 V179 A185 A186N46-L182 HydrophobicContact CB-CB 3.9Å; N46-L182 HydrophobicContact CB-CD1 4.25Å; N46-L182 HydrophobicContact CB-CG 4.27Å; V48-L182 HydrophobicContact CB-CD1 4.19Å; V48-L182 HydrophobicContact CG2-CB 3.63Å; V48-L182 HydrophobicContact CG2-CD1 3.68Å; V48-L182 HydrophobicContact CG2-CG 4.13Å; L68-L182 HydrophobicContact CD2-CD2 3.67Å; L68-L182 HydrophobicContact CG-CD1 4.4Å; L68-L182 HydrophobicContact CG-CD2 4.23Å; L68-L182 WeakPolarHBondContact O-CD1 2.85Å; C70-L182 HydrophobicContact CB-CD1 4.13Å; C70-L182 HydrophobicContact CB-CG 3.99Å; E178-L182 WeakPolarHBondContact O-CB 3.25Å; E178-L182 PolarHBondContact O-N 2.84Å; V179-L182 PolarHBondContact O-N 2.81Å; L182-A185 PolarHBondContact O-N 2.86Å; L182-A186 WeakPolarHBondContact O-CB 3.24Å; L182-A186 PolarHBondContact O-N 2.83Å
183V85.8Confident82.6Confident0 Ų056.9 Ų56.90%027%0.272CS..Hα-helixtrans-65.6-43.4-179.9166.50000111.1T110 L121 L127 P131 L134 F148 V179 M180 E181 A187T110-V183 HydrophobicContact CG2-CG1 3.49Å; T110-V183 VanDerWaalsContact CG2-CG1 3.49Å; L121-V183 HydrophobicContact CD1-CG1 3.16Å; L127-V183 HydrophobicContact CD2-CG1 4.1Å; P131-V183 HydrophobicContact CG-CG2 4.35Å; L134-V183 HydrophobicContact CD1-CG1 4.18Å; L134-V183 HydrophobicContact CD1-CG2 4Å; L134-V183 HydrophobicContact CD2-CG2 4.19Å; F148-V183 HydrophobicContact CE2-CG2 4.41Å; F148-V183 HydrophobicContact CZ-CG2 4.2Å; V179-V183 HydrophobicContact CG1-CG2 4.49Å; V179-V183 WeakPolarHBondContact O-CB 3.41Å; V179-V183 VanDerWaalsContact O-CG2 3.22Å; V179-V183 WeakPolarHBondContact O-CG2 3.34Å; V179-V183 PolarHBondContact O-N 3.27Å; M180-V183 PolarHBondContact O-N 2.9Å; E181-V183 VanDerWaalsContact C-N 3.34Å; E181-V183 PolarHBondContact O-N 2.86Å; V183-A187 PolarHBondContact O-N 3.04Å; V183-A187 VanDerWaalsContact O-N 3.14Å
184V87.9Confident83.4Confident16 Ų1654.7 Ų54.710%0.09726%0.26CS..Hα-helixtrans-67.4-40.7176.61700000111L127 M180 E181 A187 R188L127-V184 HydrophobicContact CB-CG2 4.27Å; M180-V184 HydrophobicContact CG-CG2 4.45Å; M180-V184 WeakPolarHBondContact O-CB 3.49Å; M180-V184 WeakPolarHBondContact O-CG2 3.47Å; M180-V184 PolarHBondContact O-N 3.31Å; E181-V184 PolarHBondContact O-N 2.77Å; V184-A187 PolarHBondContact O-N 3.07Å; V184-R188 HydrophobicContact CG1-CG 4.32Å; V184-R188 VanDerWaalsContact CG1-CZ 3.4Å; V184-R188 WeakPolarHBondContact O-CB 3.35Å; V184-R188 WeakPolarHBondContact O-CG 3.5Å; V184-R188 PolarHBondContact O-N 3.07Å
185A87.1Confident83.7Confident11 Ų1153.2 Ų53.29%0.09126%0.256CS..Hα-helixtrans-59.8-47.5176.100000111.4V45 E181 L182 A187 R188 K189V45-A185 HydrophobicContact CG1-CB 3.82Å; E181-A185 WeakPolarHBondContact O-CB 3.36Å; E181-A185 PolarHBondContact O-N 2.79Å; L182-A185 PolarHBondContact O-N 2.86Å; A185-A187 PolarHBondContact O-N 2.81Å; A185-R188 PolarHBondContact O-N 2.78Å; A185-K189 WeakPolarHBondContact O-CB 3.38Å; A185-K189 PolarHBondContact O-N 2.93Å
186A86.4Confident83.5Confident0 Ų052.6 Ų52.60%026%0.259CS..Hα-helixtrans-58.4-45.5176.300000111.9I75 I108 L182 K189 L190I75-A186 HydrophobicContact CD1-CB 4Å; I108-A186 HydrophobicContact CD1-CB 3.89Å; L182-A186 WeakPolarHBondContact O-CB 3.24Å; L182-A186 PolarHBondContact O-N 2.83Å; A186-K189 PolarHBondContact O-N 2.77Å; A186-L190 WeakPolarHBondContact O-CB 3.49Å; A186-L190 PolarHBondContact O-N 2.87Å
187A87.2Confident82.7Confident10 Ų1055.2 Ų55.28%0.08327%0.266CS..Hα-helixtrans-65.3-44.4178.500000112.8L121 V183 V184 A185 K189 L190 H191L121-A187 HydrophobicContact CB-CB 4.05Å; L121-A187 HydrophobicContact CD1-CB 4.33Å; V183-A187 PolarHBondContact O-N 3.04Å; V183-A187 VanDerWaalsContact O-N 3.14Å; V184-A187 PolarHBondContact O-N 3.07Å; A185-A187 PolarHBondContact O-N 2.81Å; A187-K189 PolarHBondContact O-N 3.34Å; A187-L190 PolarHBondContact O-N 2.9Å; A187-H191 PolarHBondContact O-N 2.97Å
188R87.3Confident81.6Confident146 Ų14654.3 Ų54.355%0.55126%0.264SS*.Hα-helixtrans-61.5-44176.2-75.1177.5-176158.36111.3V184 A185 H191 S192V184-R188 HydrophobicContact CG1-CG 4.32Å; V184-R188 VanDerWaalsContact CG1-CZ 3.4Å; V184-R188 WeakPolarHBondContact O-CB 3.35Å; V184-R188 WeakPolarHBondContact O-CG 3.5Å; V184-R188 PolarHBondContact O-N 3.07Å; A185-R188 PolarHBondContact O-N 2.78Å; R188-H191 PolarHBondContact O-N 3.04Å; R188-S192 PolarHBondContact O-N 3.26Å
189K86.4Confident79.7Confident67 Ų6753.4 Ų53.429%0.29128%0.275SS..Hα-helixtrans-68.3-41.1-178.6-166.266-177.7-178.40111.8N72 L102 A185 A186 A187 H191 S192 L193N72-K189 WeakPolarHBondContact O-CE 3.4Å; L102-K189 HydrophobicContact CD1-CB 3.96Å; L102-K189 HydrophobicContact CD1-CG 3.31Å; A185-K189 WeakPolarHBondContact O-CB 3.38Å; A185-K189 PolarHBondContact O-N 2.93Å; A186-K189 PolarHBondContact O-N 2.77Å; A187-K189 PolarHBondContact O-N 3.34Å; K189-H191 VanDerWaalsContact C-N 3.29Å; K189-H191 PolarHBondContact O-N 2.94Å; K189-S192 PolarHBondContact O-N 3.1Å; K189-L193 WeakPolarHBondContact O-CG 3.48Å; K189-L193 PolarHBondContact O-N 2.98Å
190L84.9Confident78Confident13 Ų1358.3 Ų58.37%0.06831%0.305CS..Hα-helixtrans-57-43.7172.4177.459.3000111.7L102 I105 I108 A186 A187 L193 K194L102-L190 WeakPolarHBondContact O-CD1 3.4Å; I105-L190 HydrophobicContact CB-CD1 4.04Å; I105-L190 HydrophobicContact CB-CD2 4.21Å; I105-L190 HydrophobicContact CG2-CD1 4.38Å; I105-L190 HydrophobicContact CG2-CD2 3.62Å; I105-L190 WeakPolarHBondContact O-CD1 3.46Å; I108-L190 HydrophobicContact CD1-CD2 4.22Å; I108-L190 HydrophobicContact CG1-CD2 4.18Å; A186-L190 WeakPolarHBondContact O-CB 3.49Å; A186-L190 PolarHBondContact O-N 2.87Å; A187-L190 PolarHBondContact O-N 2.9Å; L190-L193 PolarHBondContact O-N 3.33Å; L190-K194 WeakPolarHBondContact O-CG 3.28Å; L190-K194 PolarHBondContact O-N 2.63Å
191H84.6Confident75.9Confident61 Ų6163.9 Ų63.928%0.28233%0.33SS..Hα-helixtrans-65.6-45.2177.7179.8-111.8000113P123 A187 R188 K189 L193 K194 L195P123-H191 HydrophobicContact CB-CB 3.64Å; P123-H191 WeakPolarHBondContact CB-CD2 3.39Å; P123-H191 WeakPolarHBondContact CB-ND1 3.15Å; A187-H191 PolarHBondContact O-N 2.97Å; R188-H191 PolarHBondContact O-N 3.04Å; K189-H191 VanDerWaalsContact C-N 3.29Å; K189-H191 PolarHBondContact O-N 2.94Å; H191-L193 PolarHBondContact O-N 3.15Å; H191-K194 PolarHBondContact O-N 2.9Å; H191-L195 WeakPolarHBondContact CE1-CD1 3.33Å; H191-L195 PolarHBondContact O-N 2.75Å
192S84.4Confident73.7Confident57 Ų5768.9 Ų68.940%0.39935%0.351SS..Hα-helixtrans-54.3-43.4175.2177.10000111.2R188 K189 L195 T196R188-S192 PolarHBondContact O-N 3.26Å; K189-S192 PolarHBondContact O-N 3.1Å; S192-L195 PolarHBondContact O-N 3.36Å; S192-T196 PolarHBondContact O-N 2.95Å; S192-T196 PolarHBondContact O-OG1 3.24Å
193L81.8Confident71.8Confident42 Ų4273.9 Ų73.922%0.2239%0.386CS..Hα-helixtrans-65.5-37.7176.2-71167.9000113.1L102 K189 L190 H191 T196 R197L102-L193 HydrophobicContact CB-CD1 3.48Å; L102-L193 VanDerWaalsContact CB-CD1 3.48Å; L102-L193 HydrophobicContact CD1-CD1 4.09Å; L102-L193 HydrophobicContact CG-CD1 4.47Å; K189-L193 WeakPolarHBondContact O-CG 3.48Å; K189-L193 PolarHBondContact O-N 2.98Å; L190-L193 PolarHBondContact O-N 3.33Å; H191-L193 PolarHBondContact O-N 3.15Å; L193-T196 WeakPolarHBondContact CA-OG1 3.48Å; L193-T196 PolarHBondContact O-N 3.16Å; L193-T196 PolarHBondContact O-OG1 2.7Å; L193-R197 PolarHBondContact O-N 3.21Å
194K79Confident69.7Low88 Ų8884.9 Ų84.938%0.38343%0.428SS..Hα-helixtrans-64.6-42.9175-73.6180-179-178.10111.3E106 L190 H191 T196 R197 I198E106-K194 PolarHBondContact O-NZ 2.97Å; L190-K194 WeakPolarHBondContact O-CG 3.28Å; L190-K194 PolarHBondContact O-N 2.63Å; H191-K194 PolarHBondContact O-N 2.9Å; K194-T196 PolarHBondContact O-N 3.34Å; K194-R197 PolarHBondContact O-N 2.95Å; K194-I198 WeakPolarHBondContact O-CG1 3.42Å; K194-I198 PolarHBondContact O-N 2.65Å; K194-I198 VanDerWaalsContact O-N 3.09Å
195L75.3Confident67.4Low96 Ų9687.4 Ų87.450%0.50346%0.456SS..Hα-helixtrans-62.4-41.4175.7-77.1172.3000112.6H191 S192 R197 I198 G199H191-L195 WeakPolarHBondContact CE1-CD1 3.33Å; H191-L195 PolarHBondContact O-N 2.75Å; S192-L195 PolarHBondContact O-N 3.36Å; L195-R197 VanDerWaalsContact C-N 3.28Å; L195-R197 PolarHBondContact O-N 2.75Å; L195-I198 PolarHBondContact O-N 3.08Å; L195-G199 PolarHBondContact O-N 3.32Å
196T69.3Low65.3Low83 Ų8394.7 Ų94.751%0.50949%0.489SS..Hα-helixtrans-62.6-35176.646.20000112.6S192 L193 K194 G199 T200S192-T196 PolarHBondContact O-N 2.95Å; S192-T196 PolarHBondContact O-OG1 3.24Å; L193-T196 WeakPolarHBondContact CA-OG1 3.48Å; L193-T196 PolarHBondContact O-N 3.16Å; L193-T196 PolarHBondContact O-OG1 2.7Å; K194-T196 PolarHBondContact O-N 3.34Å; T196-G199 PolarHBondContact O-N 3.22Å; T196-T200 PolarHBondContact O-N 3.09Å; T196-T200 PolarHBondContact O-OG1 3.1Å
197R58.9Low63.1Low128 Ų128101.1 Ų101.148%0.48353%0.528SS..Hα-helixtrans-70.5-41.5176-74.4-176.2178.4-166.6-1.3112.7L193 K194 L195 G199 T200 E201L193-R197 PolarHBondContact O-N 3.21Å; K194-R197 PolarHBondContact O-N 2.95Å; L195-R197 VanDerWaalsContact C-N 3.28Å; L195-R197 PolarHBondContact O-N 2.75Å; R197-G199 PolarHBondContact O-N 3.48Å; R197-T200 WeakPolarHBondContact CA-OG1 3.39Å; R197-T200 PolarHBondContact O-N 2.76Å; R197-T200 VanDerWaalsContact O-N 3.15Å; R197-T200 PolarHBondContact O-OG1 2.78Å; R197-E201 PolarHBondContact O-N 2.98Å
198I58.4Low61.3Low113 Ų113106.8 Ų106.858%0.57956%0.556SS**Hα-helixtrans-64.6-34.4175.6-62.2161.8000110.2K194 L195 T200 E201K194-I198 WeakPolarHBondContact O-CG1 3.42Å; K194-I198 PolarHBondContact O-N 2.65Å; K194-I198 VanDerWaalsContact O-N 3.09Å; L195-I198 PolarHBondContact O-N 3.08Å; I198-T200 VanDerWaalsContact C-N 3.32Å; I198-T200 PolarHBondContact O-N 3.06Å; I198-E201 PolarHBondContact O-N 3.03Å
199G45.3Very low59.1Low56 Ų56106.4 Ų106.458%0.57757%0.572SS**Hα-helixtrans-66.2-28.117400000114.4L195 T196 R197L195-G199 PolarHBondContact O-N 3.32Å; T196-G199 PolarHBondContact O-N 3.22Å; R197-G199 PolarHBondContact O-N 3.48Å
200T47.7Very low57.5Low116 Ų116106.5 Ų106.571%0.71259%0.593SS**Hα-helixtrans-81.6-15176.650.60000114.2T196 R197 I198 K202T196-T200 PolarHBondContact O-N 3.09Å; T196-T200 PolarHBondContact O-OG1 3.1Å; R197-T200 WeakPolarHBondContact CA-OG1 3.39Å; R197-T200 PolarHBondContact O-N 2.76Å; R197-T200 VanDerWaalsContact O-N 3.15Å; R197-T200 PolarHBondContact O-OG1 2.78Å; I198-T200 VanDerWaalsContact C-N 3.32Å; I198-T200 PolarHBondContact O-N 3.06Å; T200-K202 VanDerWaalsContact C-N 3.32Å
201E41.8Very low55.7Low159 Ų159109.3 Ų109.374%0.74362%0.624SS**THydrogen-bonded Turntrans-86.23.7176.3-80-173.2128.800114R197 I198 S203R197-E201 PolarHBondContact O-N 2.98Å; I198-E201 PolarHBondContact O-N 3.03Å; E201-S203 PolarHBondContact O-N 3.18Å
202K41.3Very low53.5Low185 Ų185114.9 Ų114.980%0.80465%0.65SS**  trans-86.160.5170.8-144.4175.2-169.3176.40110.4T200 R204T200-K202 VanDerWaalsContact C-N 3.32Å; K202-R204 PolarHBondContact O-N 3.32Å
203S46.5Very low51.3Low105 Ų105122 Ų12273%0.73467%0.674SS**  trans-58.5105.8159.352.20000107.2E201 G205E201-S203 PolarHBondContact O-N 3.18Å; S203-G205 PolarHBondContact O-N 3.03Å
204R42.8Very low49.2Very low231 Ų231125.2 Ų125.287%0.87270%0.696SS**  trans-60.588.2161.5-94.4179.4161.6171.7-4.4106.8K202 Q206K202-R204 PolarHBondContact O-N 3.32Å; R204-Q206 VanDerWaalsContact C-N 3.29Å; R204-Q206 PolarHBondContact O-N 3.16Å
205G39.9Very low47.3Very low68 Ų68128.9 Ų128.970%0.70172%0.719SS**  trans-65.394.4164.200000107.7S203S203-G205 PolarHBondContact O-N 3.03Å
206Q41.9Very low45.6Very low165 Ų165130.8 Ų130.877%0.77173%0.729SS**  trans-79.4111.7153.6-79.5-174.65.900106.2R204 L208R204-Q206 VanDerWaalsContact C-N 3.29Å; R204-Q206 PolarHBondContact O-N 3.16Å; Q206-L208 PolarHBondContact O-N 2.65Å
207V40.7Very low44.1Very low135 Ų135132.9 Ų132.982%0.81874%0.741SS**  trans-70.1108167.5177.30000106.5
208L48.1Very low43Very low129 Ų129137.2 Ų137.268%0.67576%0.758SS**  trans-72.5143.5163.2-66.1176.1000108.4Q206 G210Q206-L208 PolarHBondContact O-N 2.65Å; L208-G210 PolarHBondContact O-N 3.36Å
209P42.5Very low41.8Very low137 Ų137138.4 Ų138.489%0.8977%0.77SS**THydrogen-bonded Turntrans-69.695.9178.629.3-31.1000108.1
210G52.7Low41.7Very low70 Ų70145.1 Ų145.172%0.72280%0.8SS**THydrogen-bonded Turntrans166.5-12.6-177.100000116.9L208 E212L208-G210 PolarHBondContact O-N 3.36Å; G210-E212 PolarHBondContact O-N 3.26Å
211G46.5Very low41.4Very low71 Ų71146.6 Ų146.673%0.73281%0.805SS**  trans74.915.6168.700000116.8
212E37.7Very low41.4Very low178 Ų178145.9 Ų145.983%0.83281%0.808SS**  trans-97.6122168-78.5-169.7146.800111.5G210G210-E212 PolarHBondContact O-N 3.26Å
213F40Very low41.4Very low206 Ų206143.8 Ų143.890%0.90481%0.808SS**  trans-85.6111.2169.4-82.5-95.3000109.3
214V37.8Very low41.1Very low110 Ų110146.1 Ų146.167%0.66781%0.813SS**  trans-104.5110.4167.6-177.80000108.4L216V214-L216 HydrophobicContact CG1-CD1 4.17Å; V214-L216 PolarHBondContact O-N 3.12Å
215L38.9Very low40.9Very low165 Ų165140.8 Ų140.886%0.86481%0.809SS**  trans-70.492.9169.1-84164.8000108.8T217L215-T217 PolarHBondContact O-N 3.39Å
216L39Very low41Very low137 Ų137145.6 Ų145.672%0.71782%0.816SS**  trans-87.286.8173.2-144.787.4000109.5V214 R218V214-L216 HydrophobicContact CG1-CD1 4.17Å; V214-L216 PolarHBondContact O-N 3.12Å; L216-R218 PolarHBondContact O-N 3.1Å; L216-R218 VanDerWaalsContact O-N 3.13Å
217T37.8Very low40.9Very low126 Ų126144.2 Ų144.277%0.77382%0.819SS**  trans-73.697.716636.60000108.9L215 V219L215-T217 PolarHBondContact O-N 3.39Å; T217-V219 PolarHBondContact O-N 3.17Å
218R36.1Very low41Very low219 Ų219144.9 Ų144.983%0.82682%0.819SS**  trans-77.5114165-98.7-177170.3173.7-2.5108.9L216L216-R218 PolarHBondContact O-N 3.1Å; L216-R218 VanDerWaalsContact O-N 3.13Å
219V32.7Very low40.4Very low138 Ų138146.3 Ų146.384%0.83683%0.831SS**  trans-80.8119.9164.1-177.40000107.2T217T217-V219 PolarHBondContact O-N 3.17Å
220T42.8Very low40.2Very low198 Ų198147.1 Ų147.1100%1.21583%0.826SS**  trans-132.20161.953.10000108.3

Retrieved 220 of 220 residues in 112.3 ms (Link to these results)