A0A096NQB0_PAPAN Loading...

Placental growth factor

AlphaFold DB , UniProt , Accession A0A096NQB0, Species PAPAN (Papio anubis, Olive baboon), Gene PGF, Length 170 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
1M38.4Very low52.5Low238 Ų238155.8 Ų155.8100%1.17281%0.814SS**  01240-70.5-63.2176.900107.8
2P47.3Very low52.6Low126 Ų126157 Ų15782%0.81881%0.812SS**  trans-94.7134-157.535.4-28.4000111.2
3A51.9Low52.7Low92 Ų92157 Ų15776%0.7681%0.813SS**  trans-165.9149156.600000109.1
4M58.4Low53Low161 Ų161157.6 Ų157.679%0.79382%0.816SS**  trans82.951.1169.1-45.3-171.786.100116.3
5R57.6Low53.3Low235 Ų235153.8 Ų153.889%0.88782%0.818SS**SBendtrans-122.843.7153.8-71.1-154.4177-158.91.4112.7
6L56.3Low53.7Low148 Ų148148.3 Ų148.378%0.77581%0.808SS**SBendtrans-134.516174.6-69.4175.7000113.9
7F57Low53.9Low166 Ų166149.4 Ų149.473%0.72881%0.813SS**SBendtrans-110.4-3.2-176.4-89.5-82.6000118.4
8P48.6Very low54.1Low107 Ų107146.5 Ų146.570%0.69581%0.812SS**SBendtrans-97.13.1172.837-31.4000113.9
9C54.3Low54.3Low108 Ų108147.2 Ų147.273%0.7381%0.813SS**SBendtrans-96.4-17.2-179.7-125.30000114.3
10F53.2Low54.2Low180 Ų180145.4 Ų145.479%0.78981%0.808SS**SBendtrans-87.5-13.8-179.1-100.8-85.5000114.4
11L54.3Low54.1Low153 Ų153143 Ų14380%0.80181%0.808SS**SBendtrans-97.90.7179.4-114.984.3000114.8
12Q54.4Low55Low170 Ų170137.5 Ų137.579%0.79479%0.787SS**SBendtrans-98.25.2177.9-66.7-143.8-22.300114.3
13L54.1Low55.3Low157 Ų157136.3 Ų136.382%0.82278%0.78SS**SBendtrans-94.83.5178-128.281.3000115
14L56.8Low55.1Low165 Ų165137.2 Ų137.286%0.86478%0.778SS**SBendtrans-116.914.9-176.4-68.4177.3000115.1
15A56.7Low55Low101 Ų101138.3 Ų138.384%0.83578%0.781SS**  trans-114.334.2178.400000112.8
16G59.6Low54.6Low65 Ų65135.1 Ų135.167%0.6778%0.776SS**  trans-118.330.7-170.600000115.7
17L58.3Low54Low168 Ų168138.3 Ų138.388%0.8878%0.778SS**  trans-150.673170.2-75.1179.2000111
18A56.3Low53.5Low97 Ų97134 Ų13480%0.80277%0.772SS**  trans-138.764.3163.300000109
19L59.2Low53.9Low159 Ų159135.6 Ų135.683%0.83278%0.775SS**  trans-68.6123.9156.8-81.9146.9000106.5A21L19-A21 PolarHBondContact O-N 3.07Å
20P51.1Low54.1Low111 Ų111135.4 Ų135.472%0.72178%0.775SS**  trans-60.2115.9164.124.6-29.4000106.7V22P20-V22 VanDerWaalsContact C-N 3.31Å; P20-V22 PolarHBondContact O-N 2.9Å
21A53.2Low54.3Low97 Ų97132.1 Ų132.180%0.80278%0.78SS**  trans-61.198.9170.400000107.3L19 P23L19-A21 PolarHBondContact O-N 3.07Å; A21-P23 WeakPolarHBondContact O-CD 3.35Å
22V57.5Low54.2Low121 Ų121128 Ų12873%0.73378%0.776SS**PPolyproline II helixtrans-57.2119.6163.3177.50000105P20P20-V22 VanDerWaalsContact C-N 3.31Å; P20-V22 PolarHBondContact O-N 2.9Å
23P51.7Low54.9Low102 Ų102128.5 Ų128.566%0.66278%0.783SS**PPolyproline II helixtrans-57.5129.1175.6-5.913.5000106.9A21 Q25A21-P23 WeakPolarHBondContact O-CD 3.35Å; P23-Q25 PolarHBondContact O-N 2.78Å
24P48.4Very low55Low110 Ų110123.9 Ų123.971%0.71477%0.774SS**PPolyproline II helixtrans-57120.1171.623-29.8000106.8Q26P24-Q26 PolarHBondContact O-N 2.97Å
25Q56.8Low55.1Low185 Ų185121.2 Ų121.286%0.86477%0.769SS**  trans-63.887.1164.6-70-173.5-64.100106.2P23 W27P23-Q25 PolarHBondContact O-N 2.78Å; Q25-W27 VanDerWaalsContact C-N 3.31Å; Q25-W27 PolarHBondContact O-N 2.76Å
26Q48Very low55.6Low168 Ų168122 Ų12279%0.78577%0.768SS**  trans-69.790.8172.648-179.59.100107.6P24 A28P24-Q26 PolarHBondContact O-N 2.97Å; Q26-A28 PolarHBondContact O-N 2.85Å
27W44.8Very low56.4Low215 Ų215127.1 Ų127.181%0.81478%0.775SS**  trans-69.983.1152.854.7-62.7000105.5Q25 L29Q25-W27 VanDerWaalsContact C-N 3.31Å; Q25-W27 PolarHBondContact O-N 2.76Å; W27-L29 HydrophobicContact CE3-CD1 3.58Å; W27-L29 HydrophobicContact CE3-CG 3.92Å; W27-L29 HydrophobicContact CZ3-CD1 3.43Å; W27-L29 VanDerWaalsContact CZ3-CD1 3.43Å; W27-L29 HydrophobicContact CZ3-CG 4.27Å; W27-L29 PolarHBondContact O-N 2.86Å
28A46.1Very low57.6Low74 Ų74125 Ų12561%0.61277%0.769SS**  trans-6885.417500000108.3Q26 S30Q26-A28 PolarHBondContact O-N 2.85Å; A28-S30 PolarHBondContact O-N 2.93Å
29L57.6Low59.3Low141 Ų141128.9 Ų128.974%0.73877%0.77SS**  trans-75.879.9155.8-67.4177.4000106.5W27 A31W27-L29 HydrophobicContact CE3-CD1 3.58Å; W27-L29 HydrophobicContact CE3-CG 3.92Å; W27-L29 HydrophobicContact CZ3-CD1 3.43Å; W27-L29 VanDerWaalsContact CZ3-CD1 3.43Å; W27-L29 HydrophobicContact CZ3-CG 4.27Å; W27-L29 PolarHBondContact O-N 2.86Å; L29-A31 PolarHBondContact O-N 2.84Å; L29-A31 VanDerWaalsContact O-N 3.09Å
30S57.6Low61Low105 Ų105127.2 Ų127.273%0.73477%0.767SS**  trans-67.8106.3173.9-760000109.3A28 G32A28-S30 PolarHBondContact O-N 2.93Å; S30-G32 PolarHBondContact O-N 2.86Å
31A58.8Low63.2Low110 Ų110125 Ų12591%0.90975%0.75SS**  trans-74.1101.3154.600000107.6L29L29-A31 PolarHBondContact O-N 2.84Å; L29-A31 VanDerWaalsContact O-N 3.09Å
32G50.6Low65.3Low68 Ų68124 Ų12470%0.70174%0.736SS**  trans-143.4115.8179.600000111.1S30S30-G32 PolarHBondContact O-N 2.86Å
33N70.4Confident67.2Low179 Ų179124.8 Ų124.896%0.95773%0.73SS**  trans-72.2133170.5-175.529.3000109.9
34G55.3Low69.4Low61 Ų61126.6 Ų126.663%0.62973%0.729SS**SBendtrans133.5107.3171.200000112.4
35S60.1Low71.7Confident108 Ų108124.8 Ų124.876%0.75571%0.711SS**  trans2494.6170.5-168.90000114.8E37S35-E37 PolarHBondContact O-N 2.78Å
36S66.5Low73.7Confident117 Ų117119.6 Ų119.682%0.81869%0.692SS**  trans-68.176.417269.40000109.7V38S36-V38 PolarHBondContact O-N 3.04Å; S36-V38 VanDerWaalsContact O-N 3.14Å
37E75.2Confident76Confident173 Ų173116.4 Ų116.481%0.80867%0.673SS**PPolyproline II helixtrans-59.9118159.4-78-16514200106.3S35 E39S35-E37 PolarHBondContact O-N 2.78Å; E37-E39 PolarHBondContact O-N 2.53Å; E37-E39 VanDerWaalsContact O-N 3.17Å
38V85.4Confident78.5Confident125 Ų125108.1 Ų108.176%0.75866%0.655SS**PPolyproline II helixtrans-63.9117.7176.9176.70000107.1S36 V40S36-V38 PolarHBondContact O-N 3.04Å; S36-V38 VanDerWaalsContact O-N 3.14Å; V38-V40 PolarHBondContact O-N 3.11Å
39E91.1Very high81Confident178 Ų178111.7 Ų111.783%0.83265%0.652SS**PPolyproline II helixtrans-61.4120.4174.7-172.2-177.7169.400109.6E37E37-E39 PolarHBondContact O-N 2.53Å; E37-E39 VanDerWaalsContact O-N 3.17Å
40V94.9Very high82.9Confident124 Ų124107.1 Ų107.175%0.75263%0.632SS**PPolyproline II helixtrans-89.5116.7178.9179.90000109.2V38 P42V38-V40 PolarHBondContact O-N 3.11Å; V40-P42 WeakPolarHBondContact O-CD 3.33Å
41V96.4Very high84.8Confident63 Ų63106.8 Ų106.838%0.38262%0.615SS.*PPolyproline II helixtrans-66.1123.6174.3-175.30000109.6E45 V46V41-E45 HydrophobicContact CG1-CB 3.91Å; V41-E45 HydrophobicContact CG1-CG 3.75Å; V41-V46 HydrophobicContact CB-CG2 4.14Å; V41-V46 HydrophobicContact CG1-CG2 3.84Å
42P97.9Very high86.7Confident77 Ų77102 Ų10250%0.558%0.575SS.*PPolyproline II helixtrans-61.2148.9-178.2-24.434.3000113.4V40 Q44 E45 V46V40-P42 WeakPolarHBondContact O-CD 3.33Å; P42-Q44 VanDerWaalsContact C-N 3.32Å; P42-Q44 PolarHBondContact O-N 3.3Å; P42-E45 WeakPolarHBondContact O-CB 3.37Å; P42-E45 PolarHBondContact O-N 3.47Å; P42-V46 PolarHBondContact O-N 3.27Å; P42-V46 VanDerWaalsContact O-N 3.08Å
43F97.4Very high89Confident138 Ų138103.9 Ų103.961%0.60556%0.561SS**Hα-helixtrans-52.2-44.7-178.4169.2-98.7000113.8E45 V46 W47F43-E45 PolarHBondContact O-N 3.44Å; F43-V46 PolarHBondContact O-N 2.7Å; F43-W47 HydrophobicContact CE1-CB 4.47Å; F43-W47 HydrophobicContact CZ-CB 4.35Å; F43-W47 HydrophobicContact CZ-CD2 4.49Å; F43-W47 HydrophobicContact CZ-CE3 4.07Å; F43-W47 WeakPolarHBondContact O-CB 3.36Å; F43-W47 PolarHBondContact O-N 2.94Å
44Q97.9Very high90.3Very high139 Ų13996.7 Ų96.765%0.6553%0.526SS*.Hα-helixtrans-61.8-33.8-178.9-67.8-62.2-33.500112.2P42 G48P42-Q44 VanDerWaalsContact C-N 3.32Å; P42-Q44 PolarHBondContact O-N 3.3Å; Q44-G48 PolarHBondContact O-N 2.89Å
45E97.6Very high92.4Very high72 Ų7296.8 Ų96.834%0.33651%0.512SS..Hα-helixtrans-73.9-42.6176.7-176.9177154.100111.2V41 P42 F43 W47 G48 R49V41-E45 HydrophobicContact CG1-CB 3.91Å; V41-E45 HydrophobicContact CG1-CG 3.75Å; P42-E45 WeakPolarHBondContact O-CB 3.37Å; P42-E45 PolarHBondContact O-N 3.47Å; F43-E45 PolarHBondContact O-N 3.44Å; E45-W47 VanDerWaalsContact C-N 3.34Å; E45-W47 PolarHBondContact O-N 3.08Å; E45-G48 PolarHBondContact O-N 3.02Å; E45-R49 HydrophobicContact CG-CG 4.44Å; E45-R49 VanDerWaalsContact O-CB 3.29Å; E45-R49 WeakPolarHBondContact O-CB 3.36Å; E45-R49 VanDerWaalsContact O-CG 3.25Å; E45-R49 WeakPolarHBondContact O-CG 3.34Å; E45-R49 PolarHBondContact O-N 2.92Å; E45-R49 IonicContact OE1-CZ 2.84Å; E45-R49 IonicContact OE1-NE 3.18Å; E45-R49 PolarHBondContact OE1-NE 2.93Å; E45-R49 IonicContact OE1-NH1 3.26Å; E45-R49 PolarHBondContact OE1-NH1 2.92Å; E45-R49 VanDerWaalsContact OE1-NH1 3.12Å; E45-R49 IonicContact OE1-NH2 2.69Å; E45-R49 PolarHBondContact OE1-NH2 2.84Å
46V98Very high94.2Very high76 Ų7698.6 Ų98.646%0.46151%0.509SS..Hα-helixtrans-58.5-48.1173.4176.80000110.5V41 P42 F43 S50V41-V46 HydrophobicContact CB-CG2 4.14Å; V41-V46 HydrophobicContact CG1-CG2 3.84Å; P42-V46 PolarHBondContact O-N 3.27Å; P42-V46 VanDerWaalsContact O-N 3.08Å; F43-V46 PolarHBondContact O-N 2.7Å; V46-S50 WeakPolarHBondContact O-CB 3.34Å; V46-S50 PolarHBondContact O-N 2.8Å; V46-S50 VanDerWaalsContact O-N 3.07Å; V46-S50 PolarHBondContact O-OG 3.23Å
47W97.3Very high95.6Very high102 Ų102100.6 Ų100.639%0.38650%0.498SS..Hα-helixtrans-60.9-52.5177.3-179.6-91000111.4F43 E45 R49 S50 Y51F43-W47 HydrophobicContact CE1-CB 4.47Å; F43-W47 HydrophobicContact CZ-CB 4.35Å; F43-W47 HydrophobicContact CZ-CD2 4.49Å; F43-W47 HydrophobicContact CZ-CE3 4.07Å; F43-W47 WeakPolarHBondContact O-CB 3.36Å; F43-W47 PolarHBondContact O-N 2.94Å; E45-W47 VanDerWaalsContact C-N 3.34Å; E45-W47 PolarHBondContact O-N 3.08Å; W47-R49 VanDerWaalsContact C-N 3.32Å; W47-R49 PolarHBondContact O-N 3.4Å; W47-S50 PolarHBondContact O-N 2.88Å; W47-S50 PolarHBondContact O-OG 2.65Å; W47-Y51 HydrophobicContact CZ2-CD2 4.44Å; W47-Y51 WeakPolarHBondContact O-CB 3.42Å; W47-Y51 PolarHBondContact O-N 3.46Å
48G97.1Very high96.7Very high41 Ų4197.8 Ų97.842%0.42349%0.488SS..Hα-helixtrans-61.9-36.6-178.600000113.4Q44 E45Q44-G48 PolarHBondContact O-N 2.89Å; E45-G48 PolarHBondContact O-N 3.02Å
49R97.2Very high97.3Very high149 Ų14992.6 Ų92.656%0.56246%0.457SS*.Hα-helixtrans-72.6-31.2177.2-73.7178.8174.9179.44.1113.4E45 W47 R53E45-R49 HydrophobicContact CG-CG 4.44Å; E45-R49 VanDerWaalsContact O-CB 3.29Å; E45-R49 WeakPolarHBondContact O-CB 3.36Å; E45-R49 VanDerWaalsContact O-CG 3.25Å; E45-R49 WeakPolarHBondContact O-CG 3.34Å; E45-R49 PolarHBondContact O-N 2.92Å; E45-R49 IonicContact OE1-CZ 2.84Å; E45-R49 IonicContact OE1-NE 3.18Å; E45-R49 PolarHBondContact OE1-NE 2.93Å; E45-R49 IonicContact OE1-NH1 3.26Å; E45-R49 PolarHBondContact OE1-NH1 2.92Å; E45-R49 VanDerWaalsContact OE1-NH1 3.12Å; E45-R49 IonicContact OE1-NH2 2.69Å; E45-R49 PolarHBondContact OE1-NH2 2.84Å; W47-R49 VanDerWaalsContact C-N 3.32Å; W47-R49 PolarHBondContact O-N 3.4Å; R49-R53 PolarHBondContact O-NE 3.35Å; R49-R53 PolarHBondContact O-NH2 2.94Å
50S97.6Very high97.6Very high44 Ų4487.2 Ų87.231%0.30843%0.433SS..Hα-helixtrans-93.6-11.5-178.4590000113.9V46 W47 G85 C86V46-S50 WeakPolarHBondContact O-CB 3.34Å; V46-S50 PolarHBondContact O-N 2.8Å; V46-S50 VanDerWaalsContact O-N 3.07Å; V46-S50 PolarHBondContact O-OG 3.23Å; W47-S50 PolarHBondContact O-N 2.88Å; W47-S50 PolarHBondContact O-OG 2.65Å; S50-G85 CarbonylContact O-C 3.57Å; S50-G85 WeakPolarHBondContact O-CA 3.37Å; S50-C86 PolarHBondContact O-N 3.47Å
51Y98.3Very high97.6Very high99 Ų9981.3 Ų81.339%0.38840%0.398SS..BIsolated β-bridgetrans-65.8146.5178.3-168.4-101.5000112.6W47 R53W47-Y51 HydrophobicContact CZ2-CD2 4.44Å; W47-Y51 WeakPolarHBondContact O-CB 3.42Å; W47-Y51 PolarHBondContact O-N 3.46Å; Y51-R53 WeakPolarHBondContact O-CG 3.35Å; Y51-R53 PolarHBondContact O-N 3.1Å; Y51-R53 VanDerWaalsContact O-N 3.16Å
52C98.6Very high97.5Very high9 Ų980.6 Ų80.66%0.06139%0.394CS..SBendtrans-45.3114.5-177.91770000113.7T84 C86 C94 C130C52-T84 WeakPolarHBondContact CA-O 3.35Å; C52-C86 PolarHBondContact N-O 3.29Å; C52-C86 VanDerWaalsContact N-O 3.09Å; C52-C94 WeakPolarHBondContact CA-SG 3.43Å; C52-C94 HydrophobicContact CB-CB 3.68Å; C52-C94 WeakPolarHBondContact CB-SG 3.42Å; C52-C94 WeakPolarHBondContact SG-CA 3.5Å; C52-C94 WeakPolarHBondContact SG-CB 3.36Å; C52-C94 CovalentContact SG-SG 2.03Å; C52-C94 PolarHBondContact SG-SG 3.46Å; C52-C130 WeakPolarHBondContact CB-SG 3.14Å
53R98.3Very high97.3Very high107 Ų10781.2 Ų81.240%0.40440%0.4SS..EExtended strand (participates in β ladder)trans-157.4167.317765.1-166.3173.7151.32.5111.8R49 Y51 L55 T84 C128R49-R53 PolarHBondContact O-NE 3.35Å; R49-R53 PolarHBondContact O-NH2 2.94Å; Y51-R53 WeakPolarHBondContact O-CG 3.35Å; Y51-R53 PolarHBondContact O-N 3.1Å; Y51-R53 VanDerWaalsContact O-N 3.16Å; R53-L55 HydrophobicContact CG-CD1 4.31Å; R53-L55 HydrophobicContact CG-CD2 4.15Å; R53-L55 HydrophobicContact CG-CG 3.9Å; R53-L55 PolarHBondContact O-N 3.38Å; R53-T84 PolarHBondContact N-O 3.49Å; R53-T84 PolarHBondContact O-N 2.84Å; R53-T84 VanDerWaalsContact O-O 3.13Å; R53-C128 VanDerWaalsContact C-SG 3.55Å
54A98.4Very high97.2Very high28 Ų2877.9 Ų77.923%0.23139%0.386CS..EExtended strand (participates in β ladder)trans-75.4120.2171.100000109L81 H125 C128A54-L81 HydrophobicContact CB-CB 4.45Å; A54-H125 VanDerWaalsContact CB-O 3.24Å; A54-H125 WeakPolarHBondContact CB-O 2.91Å; A54-C128 PolarHBondContact N-SG 2.97Å; A54-C128 VanDerWaalsContact N-SG 3.37Å
55L98.2Very high97Very high64 Ų6474 Ų7434%0.33537%0.366SS..EExtended strand (participates in β ladder)trans-127150.1174-69.3177.5000110.3R53 R57 L81 R82 T84R53-L55 HydrophobicContact CG-CD1 4.31Å; R53-L55 HydrophobicContact CG-CD2 4.15Å; R53-L55 HydrophobicContact CG-CG 3.9Å; R53-L55 PolarHBondContact O-N 3.38Å; L55-R57 PolarHBondContact O-N 2.72Å; L55-L81 WeakPolarHBondContact O-CA 3.03Å; L55-R82 PolarHBondContact N-O 3.08Å; L55-R82 PolarHBondContact O-N 2.91Å; L55-T84 HydrophobicContact CB-CG2 3.78Å; L55-T84 HydrophobicContact CD1-CG2 3.67Å; L55-T84 HydrophobicContact CG-CG2 4.02Å
56E98.1Very high96.7Very high146 Ų14675 Ų7568%0.68238%0.378SS*.EExtended strand (participates in β ladder)trans-65.1128.2174.4-171.8173.4-173.100110.1S79E56-S79 WeakPolarHBondContact CG-OG 3.31Å; E56-S79 VanDerWaalsContact OE1-CB 3.27Å; E56-S79 WeakPolarHBondContact OE1-CB 3.1Å; E56-S79 PolarHBondContact OE1-OG 2.83Å
57R97.8Very high96.3Very high158 Ų15876 Ų7660%0.59639%0.388SS*.EExtended strand (participates in β ladder)trans-139.9139.4178.5-174.5-179.8179108.20.6109.4L55 V59 L80 R82L55-R57 PolarHBondContact O-N 2.72Å; R57-V59 PolarHBondContact O-N 3.08Å; R57-L80 PolarHBondContact N-O 3.47Å; R57-L80 PolarHBondContact O-N 2.93Å; R57-R82 HydrophobicContact CB-CB 4.44Å
58L98.3Very high95.7Very high115 Ų11573.4 Ų73.460%0.60238%0.381SS*.EExtended strand (participates in β ladder)trans-73.4123.2169.2-61.7178.3000109.8V78L58-V78 WeakPolarHBondContact CA-O 3.04Å
59V97.4Very high94.9Very high15 Ų1576 Ų769%0.09139%0.388CS..EExtended strand (participates in β ladder)trans-118.7129.5178.5-175.50000108.3R57 E64 C77 V78 L80 R82R57-V59 PolarHBondContact O-N 3.08Å; V59-E64 HydrophobicContact CG1-CG 3.54Å; V59-E64 WeakPolarHBondContact CG1-OE1 3.34Å; V59-C77 CarbonylContact O-C 3.24Å; V59-C77 WeakPolarHBondContact O-CA 3.43Å; V59-C77 VanDerWaalsContact O-CB 3.31Å; V59-C77 WeakPolarHBondContact O-CB 3.3Å; V59-V78 PolarHBondContact N-O 2.98Å; V59-V78 PolarHBondContact O-N 3.28Å; V59-L80 HydrophobicContact CB-CD1 4.21Å; V59-L80 HydrophobicContact CG2-CB 4.4Å; V59-L80 HydrophobicContact CG2-CD1 4.24Å; V59-R82 HydrophobicContact CG2-CG 4.21Å
60D96.7Very high94.2Very high65 Ų6575.9 Ų75.935%0.34839%0.394SS..EExtended strand (participates in β ladder)trans-67.1135.3174.6171.265.5000110.8V62 S63 E64D60-V62 PolarHBondContact OD2-N 3.34Å; D60-S63 WeakPolarHBondContact O-CB 3.35Å; D60-S63 PolarHBondContact O-N 3.38Å; D60-S63 PolarHBondContact OD2-N 3.27Å; D60-S63 PolarHBondContact OD2-OG 2.95Å; D60-E64 PolarHBondContact O-N 2.78Å
61I96.3Very high93.7Very high1 Ų175.1 Ų75.11%0.00539%0.386CS..Hα-helixtrans-70.4-38.8-172.9-64.4153.8000111.2S63 E64 Y65 F73 P75 S76 V78 L106 L120 F122I61-S63 PolarHBondContact O-N 3.13Å; I61-E64 PolarHBondContact O-N 3.44Å; I61-E64 VanDerWaalsContact O-N 3.1Å; I61-Y65 HydrophobicContact CG2-CD2 4.49Å; I61-Y65 PolarHBondContact O-N 2.86Å; I61-F73 HydrophobicContact CB-CD2 4.15Å; I61-F73 HydrophobicContact CB-CG 4.47Å; I61-F73 HydrophobicContact CD1-CB 3.5Å; I61-F73 HydrophobicContact CD1-CG 4.1Å; I61-F73 HydrophobicContact CG2-CB 4.49Å; I61-F73 HydrophobicContact CG2-CD1 4.45Å; I61-F73 HydrophobicContact CG2-CD2 3.57Å; I61-F73 HydrophobicContact CG2-CE2 3.81Å; I61-F73 HydrophobicContact CG2-CG 3.92Å; I61-F73 HydrophobicContact CG2-CZ 4.35Å; I61-P75 WeakPolarHBondContact CD1-O 3.41Å; I61-S76 VanDerWaalsContact CD1-C 3.48Å; I61-S76 WeakPolarHBondContact CD1-O 3.48Å; I61-S76 WeakPolarHBondContact CG1-O 3.27Å; I61-S76 PolarHBondContact N-O 3.09Å; I61-S76 VanDerWaalsContact N-O 3.09Å; I61-V78 HydrophobicContact CD1-CG1 4.26Å; I61-V78 HydrophobicContact CG1-CG1 4.18Å; I61-V78 HydrophobicContact CG1-CG2 4.42Å; I61-L106 HydrophobicContact CD1-CD2 3.08Å; I61-L106 HydrophobicContact CG1-CD2 3.91Å; I61-L120 HydrophobicContact CG2-CD1 3.88Å; I61-F122 HydrophobicContact CG1-CE1 4.5Å; I61-F122 HydrophobicContact CG1-CZ 4.28Å; I61-F122 HydrophobicContact CG2-CZ 4.42Å
62V93.3Very high93.5Very high48 Ų4877.1 Ų77.129%0.29140%0.4SS..Hα-helixtrans-65.9-31.6-178.5-178.40000110.9D60 E64 Y65 P66 V69D60-V62 PolarHBondContact OD2-N 3.34Å; V62-E64 VanDerWaalsContact C-N 3.34Å; V62-Y65 CarbonylContact O-C 3.15Å; V62-Y65 VanDerWaalsContact O-C 3.22Å; V62-Y65 PolarHBondContact O-N 3.35Å; V62-P66 WeakPolarHBondContact O-CA 3.39Å; V62-V69 HydrophobicContact CG1-CB 4.33Å; V62-V69 HydrophobicContact CG1-CG1 3.5Å; V62-V69 VanDerWaalsContact CG1-CG1 3.5Å
63S93.4Very high93.4Very high90 Ų9077.5 Ų77.563%0.62940%0.401SS*.Hα-helixtrans-65.5-34.5173.7-58.40000113.1D60 I61D60-S63 WeakPolarHBondContact O-CB 3.35Å; D60-S63 PolarHBondContact O-N 3.38Å; D60-S63 PolarHBondContact OD2-N 3.27Å; D60-S63 PolarHBondContact OD2-OG 2.95Å; I61-S63 PolarHBondContact O-N 3.13Å
64E95.4Very high93.3Very high68 Ų6875.4 Ų75.432%0.31840%0.402SS..Hα-helixtrans-83.1-31.2176.5-65.6-72.7138.700112.3V59 D60 I61 V62 P66 R82 F122V59-E64 HydrophobicContact CG1-CG 3.54Å; V59-E64 WeakPolarHBondContact CG1-OE1 3.34Å; D60-E64 PolarHBondContact O-N 2.78Å; I61-E64 PolarHBondContact O-N 3.44Å; I61-E64 VanDerWaalsContact O-N 3.1Å; V62-E64 VanDerWaalsContact C-N 3.34Å; E64-P66 VanDerWaalsContact C-CD 3.44Å; E64-P66 WeakPolarHBondContact O-CD 3.44Å; E64-R82 IonicContact OE1-CZ 3.46Å; E64-R82 VanDerWaalsContact OE1-CZ 3.26Å; E64-R82 IonicContact OE1-NH1 2.78Å; E64-R82 PolarHBondContact OE1-NH1 3.41Å; E64-R82 IonicContact OE1-NH2 3.43Å; E64-R82 PolarHBondContact OE1-NH2 2.96Å; E64-R82 IonicContact OE2-CZ 3.71Å; E64-R82 IonicContact OE2-NH2 3.27Å; E64-R82 PolarHBondContact OE2-NH2 3.31Å; E64-F122 HydrophobicContact CB-CD1 4.33Å; E64-F122 HydrophobicContact CB-CE1 4.28Å; E64-F122 HydrophobicContact CG-CD1 4.31Å; E64-F122 HydrophobicContact CG-CE1 4.49Å
65Y94.4Very high93.2Very high58 Ų5877.3 Ų77.323%0.22741%0.413CS..  trans-121.970-178.5-73.2-91.9000111.3I61 V62 S67 E68 L120 T121 F122I61-Y65 HydrophobicContact CG2-CD2 4.49Å; I61-Y65 PolarHBondContact O-N 2.86Å; V62-Y65 CarbonylContact O-C 3.15Å; V62-Y65 VanDerWaalsContact O-C 3.22Å; V62-Y65 PolarHBondContact O-N 3.35Å; Y65-S67 PolarHBondContact O-N 2.96Å; Y65-S67 VanDerWaalsContact O-N 3.08Å; Y65-E68 PolarHBondContact O-N 2.84Å; Y65-L120 HydrophobicContact CD2-CD1 4.49Å; Y65-L120 HydrophobicContact CE1-CD2 4.44Å; Y65-L120 HydrophobicContact CE2-CB 4.32Å; Y65-T121 PolarHBondContact OH-N 3.09Å; Y65-T121 VanDerWaalsContact OH-N 3.11Å; Y65-T121 PolarHBondContact OH-O 2.88Å; Y65-F122 HydrophobicContact CD2-CE1 4.02Å; Y65-F122 AromaticContact CE2-CD1 3.99Å; Y65-F122 HydrophobicContact CE2-CD1 3.99Å; Y65-F122 AromaticContact CE2-CE1 3.66Å; Y65-F122 HydrophobicContact CE2-CE1 3.66Å; Y65-F122 HydrophobicContact CE2-CZ 4.1Å
66P91.3Very high93.2Very high91 Ų9177.9 Ų77.959%0.59142%0.422SS*.G310 helixtrans-65.5-15.3-176.526.6-35.6000113.6V62 E64 E68 V69V62-P66 WeakPolarHBondContact O-CA 3.39Å; E64-P66 VanDerWaalsContact C-CD 3.44Å; E64-P66 WeakPolarHBondContact O-CD 3.44Å; P66-E68 VanDerWaalsContact C-N 3.27Å; P66-V69 WeakPolarHBondContact O-CG1 3.16Å
67S88.6Confident93.1Very high97 Ų9773 Ų7368%0.67840%0.403SS*.G310 helixtrans-74.3-16.2172.254.80000113.6Y65Y65-S67 PolarHBondContact O-N 2.96Å; Y65-S67 VanDerWaalsContact O-N 3.08Å
68E84.4Confident93.2Very high49 Ų4966 Ų6623%0.22938%0.378CS..G310 helixtrans-100.917.4-175.2-64.4-68.115900112.9Y65 P66 E70 H71 F73 K108Y65-E68 PolarHBondContact O-N 2.84Å; P66-E68 VanDerWaalsContact C-N 3.27Å; E68-E70 PolarHBondContact O-N 2.69Å; E68-E70 VanDerWaalsContact O-N 3.08Å; E68-H71 PolarHBondContact O-N 2.97Å; E68-H71 PolarHBondContact O-ND1 3.32Å; E68-H71 IonicContact OE2-CE1 2.7Å; E68-H71 PolarHBondContact OE2-CE1 2.84Å; E68-H71 VanDerWaalsContact OE2-CE1 3.3Å; E68-H71 IonicContact OE2-CG 2.89Å; E68-H71 IonicContact OE2-ND1 3.3Å; E68-H71 PolarHBondContact OE2-ND1 3.03Å; E68-F73 HydrophobicContact CB-CE2 3.96Å; E68-F73 HydrophobicContact CB-CZ 3.88Å; E68-F73 HydrophobicContact CG-CZ 4.34Å; E68-K108 IonicContact OE1-NZ 2.84Å; E68-K108 WeakPolarHBondContact OE2-CE 3.4Å; E68-K108 IonicContact OE2-NZ 3.96Å; E68-K108 PolarHBondContact OE2-NZ 2.02Å
69V80.9Confident93.2Very high94 Ų9462.3 Ų62.357%0.5736%0.362SS*.THydrogen-bonded Turntrans-58.1-22-175.6-71.40000115.2V62 P66 H71V62-V69 HydrophobicContact CG1-CB 4.33Å; V62-V69 HydrophobicContact CG1-CG1 3.5Å; V62-V69 VanDerWaalsContact CG1-CG1 3.5Å; P66-V69 WeakPolarHBondContact O-CG1 3.16Å; V69-H71 PolarHBondContact O-N 2.03Å
70E83.4Confident93.2Very high147 Ų14761.7 Ų61.769%0.68736%0.358SS*.THydrogen-bonded Turntrans-72.9-12.9176.1-65.4-173.9177.500113.1E68E68-E70 PolarHBondContact O-N 2.69Å; E68-E70 VanDerWaalsContact O-N 3.08Å
71H86.4Confident93.3Very high29 Ų2961.3 Ų61.313%0.13436%0.356CS..SBendtrans-111144.7-172.9-51.6101.6000111.6E68 V69 F73 K108E68-H71 PolarHBondContact O-N 2.97Å; E68-H71 PolarHBondContact O-ND1 3.32Å; E68-H71 IonicContact OE2-CE1 2.7Å; E68-H71 PolarHBondContact OE2-CE1 2.84Å; E68-H71 VanDerWaalsContact OE2-CE1 3.3Å; E68-H71 IonicContact OE2-CG 2.89Å; E68-H71 IonicContact OE2-ND1 3.3Å; E68-H71 PolarHBondContact OE2-ND1 3.03Å; V69-H71 PolarHBondContact O-N 2.03Å; H71-F73 HydrophobicContact CB-CE2 4.28Å; H71-F73 HydrophobicContact CB-CZ 4.28Å; H71-K108 HydrophobicContact CB-CG 4.15Å; H71-K108 WeakPolarHBondContact CD2-CE 3.47Å; H71-K108 PolarHBondContact CE1-NZ 3.49Å; H71-K108 WeakPolarHBondContact ND1-CE 3.46Å; H71-K108 WeakPolarHBondContact NE2-CE 3.27Å
72M93.1Very high93.4Very high140 Ų14063.2 Ų63.269%0.6936%0.363SS*.EExtended strand (participates in β ladder)trans-96.4141.2167.5-64.4-178.8178.200109.1I109M72-I109 HydrophobicContact CB-CB 4.29Å; M72-I109 PolarHBondContact N-O 2.85Å; M72-I109 PolarHBondContact O-N 2.87Å
73F96.8Very high93.7Very high17 Ų1762 Ų628%0.07536%0.356CS..EExtended strand (participates in β ladder)trans-112.6143.3176-64-81.9000110.5I61 E68 H71 P75 S76 L106 L107 K108 V118 L120I61-F73 HydrophobicContact CB-CD2 4.15Å; I61-F73 HydrophobicContact CB-CG 4.47Å; I61-F73 HydrophobicContact CD1-CB 3.5Å; I61-F73 HydrophobicContact CD1-CG 4.1Å; I61-F73 HydrophobicContact CG2-CB 4.49Å; I61-F73 HydrophobicContact CG2-CD1 4.45Å; I61-F73 HydrophobicContact CG2-CD2 3.57Å; I61-F73 HydrophobicContact CG2-CE2 3.81Å; I61-F73 HydrophobicContact CG2-CG 3.92Å; I61-F73 HydrophobicContact CG2-CZ 4.35Å; E68-F73 HydrophobicContact CB-CE2 3.96Å; E68-F73 HydrophobicContact CB-CZ 3.88Å; E68-F73 HydrophobicContact CG-CZ 4.34Å; H71-F73 HydrophobicContact CB-CE2 4.28Å; H71-F73 HydrophobicContact CB-CZ 4.28Å; F73-P75 CarbonylContact C-O 3.59Å; F73-P75 WeakPolarHBondContact CB-O 3.48Å; F73-P75 CarbonylContact O-C 3.44Å; F73-P75 VanDerWaalsContact O-C 3.24Å; F73-S76 WeakPolarHBondContact O-CA 3.24Å; F73-S76 PolarHBondContact O-N 2.91Å; F73-L106 HydrophobicContact CB-CD2 4.35Å; F73-L107 CarbonylContact C-O 3.58Å; F73-L107 WeakPolarHBondContact CA-O 3.09Å; F73-K108 HydrophobicContact CD1-CB 4.38Å; F73-K108 HydrophobicContact CE1-CB 4.2Å; F73-K108 HydrophobicContact CE1-CD 4.29Å; F73-K108 HydrophobicContact CE1-CG 4.02Å; F73-V118 HydrophobicContact CE1-CG2 4.22Å; F73-L120 HydrophobicContact CD1-CD1 4.26Å; F73-L120 HydrophobicContact CE1-CD1 3.81Å; F73-L120 HydrophobicContact CZ-CD1 4.16Å
74S96.5Very high93.8Very high63 Ų6360.5 Ų60.544%0.44134%0.343SS..EExtended strand (participates in β ladder)trans-121.5117.7168.1-171.70000109.5L107S74-L107 PolarHBondContact N-O 3.45Å; S74-L107 PolarHBondContact O-N 3.35Å
75P97.8Very high93.9Very high69 Ų6959 Ų5945%0.44835%0.347SS..SBendcis-63.6163.6-7.332.1-37.4000112.1I61 F73 C77I61-P75 WeakPolarHBondContact CD1-O 3.41Å; F73-P75 CarbonylContact C-O 3.59Å; F73-P75 WeakPolarHBondContact CB-O 3.48Å; F73-P75 CarbonylContact O-C 3.44Å; F73-P75 VanDerWaalsContact O-C 3.24Å; P75-C77 WeakPolarHBondContact CB-O 3.38Å; P75-C77 WeakPolarHBondContact CG-O 3.41Å
76S96.5Very high94Very high76 Ų7659.1 Ų59.153%0.53136%0.355SS..SBendtrans-83.6-17.5176.757.40000113.5I61 F73I61-S76 VanDerWaalsContact CD1-C 3.48Å; I61-S76 WeakPolarHBondContact CD1-O 3.48Å; I61-S76 WeakPolarHBondContact CG1-O 3.27Å; I61-S76 PolarHBondContact N-O 3.09Å; I61-S76 VanDerWaalsContact N-O 3.09Å; F73-S76 WeakPolarHBondContact O-CA 3.24Å; F73-S76 PolarHBondContact O-N 2.91Å
77C97.4Very high94.3Very high43 Ų4355.5 Ų55.529%0.29133%0.332SS..EExtended strand (participates in β ladder)trans-130.5154.4173.3630000110.5V59 P75V59-C77 CarbonylContact O-C 3.24Å; V59-C77 WeakPolarHBondContact O-CA 3.43Å; V59-C77 VanDerWaalsContact O-CB 3.31Å; V59-C77 WeakPolarHBondContact O-CB 3.3Å; P75-C77 WeakPolarHBondContact CB-O 3.38Å; P75-C77 WeakPolarHBondContact CG-O 3.41Å
78V98.1Very high94.6Very high10 Ų1053.4 Ų53.46%0.06133%0.326CS..EExtended strand (participates in β ladder)trans-124.8153.8177.6-68.40000110.4L58 V59 I61 L80 M104 L106 F122L58-V78 WeakPolarHBondContact CA-O 3.04Å; V59-V78 PolarHBondContact N-O 2.98Å; V59-V78 PolarHBondContact O-N 3.28Å; I61-V78 HydrophobicContact CD1-CG1 4.26Å; I61-V78 HydrophobicContact CG1-CG1 4.18Å; I61-V78 HydrophobicContact CG1-CG2 4.42Å; V78-L80 HydrophobicContact CG2-CD1 4.03Å; V78-L80 HydrophobicContact CG2-CG 4.08Å; V78-M104 HydrophobicContact CB-SD 3.79Å; V78-M104 HydrophobicContact CG1-SD 3.92Å; V78-M104 HydrophobicContact CG2-SD 4.34Å; V78-L106 HydrophobicContact CG1-CD2 3.95Å; V78-F122 HydrophobicContact CG1-CE2 4.41Å; V78-F122 HydrophobicContact CG1-CZ 4.33Å; V78-F122 HydrophobicContact CG2-CD1 4.05Å; V78-F122 HydrophobicContact CG2-CD2 4.39Å; V78-F122 HydrophobicContact CG2-CE1 3.78Å; V78-F122 HydrophobicContact CG2-CE2 4.16Å; V78-F122 HydrophobicContact CG2-CG 4.34Å; V78-F122 HydrophobicContact CG2-CZ 3.85Å
79S98.3Very high95.1Very high39 Ų3954.9 Ų54.927%0.27334%0.335SS..EExtended strand (participates in β ladder)trans-90.5119.2179.4-148.40000110.9E56 M104E56-S79 WeakPolarHBondContact CG-OG 3.31Å; E56-S79 VanDerWaalsContact OE1-CB 3.27Å; E56-S79 WeakPolarHBondContact OE1-CB 3.1Å; E56-S79 PolarHBondContact OE1-OG 2.83Å; S79-M104 WeakPolarHBondContact O-CE 3.2Å
80L98.4Very high95.6Very high1 Ų159.5 Ų59.51%0.00535%0.35CS..EExtended strand (participates in β ladder)trans-133.1148-177.1-64.1171.7000111R57 V59 V78 R82 V102 M104 F122 Q124R57-L80 PolarHBondContact N-O 3.47Å; R57-L80 PolarHBondContact O-N 2.93Å; V59-L80 HydrophobicContact CB-CD1 4.21Å; V59-L80 HydrophobicContact CG2-CB 4.4Å; V59-L80 HydrophobicContact CG2-CD1 4.24Å; V78-L80 HydrophobicContact CG2-CD1 4.03Å; V78-L80 HydrophobicContact CG2-CG 4.08Å; L80-R82 PolarHBondContact O-N 2.76Å; L80-V102 HydrophobicContact CD2-CG1 3.7Å; L80-M104 HydrophobicContact CD2-CE 3.7Å; L80-F122 HydrophobicContact CD1-CB 3.67Å; L80-F122 HydrophobicContact CD1-CD1 3.91Å; L80-F122 HydrophobicContact CD1-CG 3.98Å; L80-F122 HydrophobicContact CD2-CB 3.54Å; L80-F122 HydrophobicContact CD2-CG 4.15Å; L80-F122 HydrophobicContact CG-CB 4.27Å; L80-Q124 HydrophobicContact CB-CG 4.36Å; L80-Q124 HydrophobicContact CD2-CG 3.71Å
81L98.6Very high96.2Very high57 Ų5757.8 Ų57.830%0.29835%0.346SS..EExtended strand (participates in β ladder)trans-70.5121166.7-65.8175.8000110.4A54 L55 Q124 H125A54-L81 HydrophobicContact CB-CB 4.45Å; L55-L81 WeakPolarHBondContact O-CA 3.03Å; L81-Q124 HydrophobicContact CB-CB 4.33Å; L81-H125 VanDerWaalsContact CB-O 3.27Å; L81-H125 WeakPolarHBondContact CB-O 3.37Å; L81-H125 PolarHBondContact O-N 3.2Å
82R98.4Very high96.6Very high41 Ų4159.1 Ų59.116%0.15535%0.354CS..EExtended strand (participates in β ladder)trans-127.9143.9174.2-65.2-68.1169.6101.2-11.3109.7L55 R57 V59 E64 L80 T84L55-R82 PolarHBondContact N-O 3.08Å; L55-R82 PolarHBondContact O-N 2.91Å; R57-R82 HydrophobicContact CB-CB 4.44Å; V59-R82 HydrophobicContact CG2-CG 4.21Å; E64-R82 IonicContact OE1-CZ 3.46Å; E64-R82 VanDerWaalsContact OE1-CZ 3.26Å; E64-R82 IonicContact OE1-NH1 2.78Å; E64-R82 PolarHBondContact OE1-NH1 3.41Å; E64-R82 IonicContact OE1-NH2 3.43Å; E64-R82 PolarHBondContact OE1-NH2 2.96Å; E64-R82 IonicContact OE2-CZ 3.71Å; E64-R82 IonicContact OE2-NH2 3.27Å; E64-R82 PolarHBondContact OE2-NH2 3.31Å; L80-R82 PolarHBondContact O-N 2.76Å; R82-T84 PolarHBondContact O-N 3.21Å
83C98.5Very high96.8Very high22 Ų2255.9 Ų55.915%0.14934%0.337CS..EExtended strand (participates in β ladder)trans-68.6125.6173.8-65.60000108.9P96 H125 C128C83-P96 WeakPolarHBondContact SG-CA 3.36Å; C83-P96 VanDerWaalsContact SG-N 3.41Å; C83-H125 PolarHBondContact N-ND1 2.81Å; C83-H125 VanDerWaalsContact SG-CB 3.56Å; C83-H125 PolarHBondContact SG-ND1 3.31Å; C83-C128 WeakPolarHBondContact CA-SG 3.38Å; C83-C128 HydrophobicContact CB-CB 3.82Å; C83-C128 WeakPolarHBondContact CB-SG 3.41Å; C83-C128 WeakPolarHBondContact SG-CB 3.48Å; C83-C128 CovalentContact SG-SG 2.03Å; C83-C128 PolarHBondContact SG-SG 3.43Å
84T97.4Very high96.8Very high59 Ų5956.3 Ų56.336%0.36234%0.342SS..EExtended strand (participates in β ladder)trans-149.8168.8177.7-164.30000109.7C52 R53 L55 R82C52-T84 WeakPolarHBondContact CA-O 3.35Å; R53-T84 PolarHBondContact N-O 3.49Å; R53-T84 PolarHBondContact O-N 2.84Å; R53-T84 VanDerWaalsContact O-O 3.13Å; L55-T84 HydrophobicContact CB-CG2 3.78Å; L55-T84 HydrophobicContact CD1-CG2 3.67Å; L55-T84 HydrophobicContact CG-CG2 4.02Å; R82-T84 PolarHBondContact O-N 3.21Å
85G97.1Very high96.9Very high38 Ų3854.8 Ų54.839%0.39233%0.33SS..SBendtrans109.1172.5-174.700000113.2S50S50-G85 CarbonylContact O-C 3.57Å; S50-G85 WeakPolarHBondContact O-CA 3.37Å
86C96.7Very high96.9Very high60 Ų6054.1 Ų54.141%0.40533%0.326SS..BIsolated β-bridgetrans-98.6160.8178.461.50000111.3S50 C52S50-C86 PolarHBondContact O-N 3.47Å; C52-C86 PolarHBondContact N-O 3.29Å; C52-C86 VanDerWaalsContact N-O 3.09Å
87C97.3Very high97Very high15 Ų1552.6 Ų52.610%0.10131%0.313CS..  trans-1111.8-176.9-75.50000114.2D89 L92 C130C87-D89 PolarHBondContact O-N 3.07Å; C87-L92 HydrophobicContact CB-CB 3.52Å; C87-L92 HydrophobicContact CB-CD1 4.28Å; C87-C130 WeakPolarHBondContact CA-SG 3.35Å; C87-C130 HydrophobicContact CB-CB 3.64Å; C87-C130 WeakPolarHBondContact CB-SG 3.25Å; C87-C130 WeakPolarHBondContact SG-CA 3.28Å; C87-C130 WeakPolarHBondContact SG-CB 3.41Å; C87-C130 CovalentContact SG-SG 2.02Å; C87-C130 PolarHBondContact SG-SG 2.9Å
88G94.7Very high97Very high53 Ų5355.3 Ų55.355%0.54632%0.321SS..SBendtrans77.1-12.4-177.600000115.6
89D94.7Very high97.1Very high79 Ų7958.3 Ų58.342%0.42234%0.34SS..SBendtrans-133.5132.7176.7-173.3-37.4000108.4C87 N91 L92C87-D89 PolarHBondContact O-N 3.07Å; D89-N91 PolarHBondContact O-N 2.81Å; D89-N91 VanDerWaalsContact OD1-CB 3.28Å; D89-N91 WeakPolarHBondContact OD1-CB 3.38Å; D89-N91 PolarHBondContact OD1-N 2.79Å; D89-N91 PolarHBondContact OD1-ND2 3Å; D89-L92 HydrophobicContact CB-CB 4.42Å; D89-L92 HydrophobicContact CB-CD1 3.92Å; D89-L92 HydrophobicContact CB-CG 3.93Å; D89-L92 PolarHBondContact O-N 2.8Å; D89-L92 VanDerWaalsContact O-N 3.1Å
90E92.4Very high97.1Very high191 Ų19159.4 Ų59.489%0.89335%0.345SS*.THydrogen-bonded Turntrans-66.8-21.7-178.7-59.6-174148.400112.8L92E90-L92 PolarHBondContact O-N 2.51Å
91N94.4Very high97.1Very high112 Ų11265.2 Ų65.260%0.59938%0.376SS*.THydrogen-bonded Turntrans-82.4-2.9176-54.1-65.4000112.6D89 P132 L133D89-N91 PolarHBondContact O-N 2.81Å; D89-N91 VanDerWaalsContact OD1-CB 3.28Å; D89-N91 WeakPolarHBondContact OD1-CB 3.38Å; D89-N91 PolarHBondContact OD1-N 2.79Å; D89-N91 PolarHBondContact OD1-ND2 3Å; N91-P132 WeakPolarHBondContact O-CA 3.39Å; N91-L133 PolarHBondContact O-N 2.69Å
92L96.4Very high97.1Very high57 Ų5764.2 Ų64.230%0.29837%0.372SS..EExtended strand (participates in β ladder)trans-109.5144.8176.8-59.8-179.4000110.6C87 D89 E90 C130 R131 P132C87-L92 HydrophobicContact CB-CB 3.52Å; C87-L92 HydrophobicContact CB-CD1 4.28Å; D89-L92 HydrophobicContact CB-CB 4.42Å; D89-L92 HydrophobicContact CB-CD1 3.92Å; D89-L92 HydrophobicContact CB-CG 3.93Å; D89-L92 PolarHBondContact O-N 2.8Å; D89-L92 VanDerWaalsContact O-N 3.1Å; E90-L92 PolarHBondContact O-N 2.51Å; L92-C130 HydrophobicContact CB-CB 4.36Å; L92-C130 HydrophobicContact CD1-CB 4.19Å; L92-R131 WeakPolarHBondContact CA-O 3.29Å; L92-P132 HydrophobicContact CD2-CB 4.41Å; L92-P132 HydrophobicContact CD2-CG 4.07Å
93H96Very high97.1Very high72 Ų7266 Ų6633%0.33339%0.387SS..EExtended strand (participates in β ladder)trans-129.2146172.363.2-61.5000110.7V95 R131 P132 L133H93-V95 WeakPolarHBondContact CD2-CG1 3.31Å; H93-V95 WeakPolarHBondContact NE2-CG1 3.19Å; H93-V95 PolarHBondContact O-N 2.96Å; H93-R131 PolarHBondContact N-O 3.2Å; H93-R131 PolarHBondContact ND1-O 2.88Å; H93-R131 PolarHBondContact O-N 3.42Å; H93-P132 PolarHBondContact CE1-O 3.48Å; H93-P132 VanDerWaalsContact CE1-O 3.29Å; H93-L133 HydrophobicContact CB-CD1 4.02Å
94C98Very high97Very high26 Ų2667.2 Ų67.218%0.17639%0.391CS..EExtended strand (participates in β ladder)trans-79116.2179.6-174.30000109.8C52C52-C94 WeakPolarHBondContact CA-SG 3.43Å; C52-C94 HydrophobicContact CB-CB 3.68Å; C52-C94 WeakPolarHBondContact CB-SG 3.42Å; C52-C94 WeakPolarHBondContact SG-CA 3.5Å; C52-C94 WeakPolarHBondContact SG-CB 3.36Å; C52-C94 CovalentContact SG-SG 2.03Å; C52-C94 PolarHBondContact SG-SG 3.46Å
95V97.9Very high97.1Very high31 Ų3170.4 Ų70.419%0.18840%0.402CS..EExtended strand (participates in β ladder)trans-127.2150.8-176.2-65.30000112.3H93 C128 E129 R131H93-V95 WeakPolarHBondContact CD2-CG1 3.31Å; H93-V95 WeakPolarHBondContact NE2-CG1 3.19Å; H93-V95 PolarHBondContact O-N 2.96Å; V95-C128 VanDerWaalsContact O-CA 3.31Å; V95-C128 WeakPolarHBondContact O-CA 2.95Å; V95-E129 WeakPolarHBondContact CG2-O 3.02Å; V95-E129 PolarHBondContact N-O 3.18Å; V95-E129 PolarHBondContact O-N 2.89Å; V95-R131 HydrophobicContact CG2-CB 3.81Å; V95-R131 HydrophobicContact CG2-CG 3.42Å; V95-R131 VanDerWaalsContact CG2-CG 3.42Å
96P98.2Very high97.1Very high55 Ų5568.7 Ų68.736%0.35738%0.384SS..EExtended strand (participates in β ladder)trans-67.2136.5169.228.5-33.4000110.7C83 T99 H125C83-P96 WeakPolarHBondContact SG-CA 3.36Å; C83-P96 VanDerWaalsContact SG-N 3.41Å; P96-T99 HydrophobicContact CB-CG2 3.96Å; P96-H125 HydrophobicContact CB-CB 4.09Å
97V98Very high97.1Very high44 Ų4468 Ų6827%0.26738%0.376SS..EExtended strand (participates in β ladder)trans-115.1-11.3171.1-69.70000111.9R127 E129V97-R127 HydrophobicContact CG2-CB 3.92Å; V97-R127 HydrophobicContact CG2-CG 3.9Å; V97-R127 VanDerWaalsContact CG2-O 3.3Å; V97-R127 WeakPolarHBondContact CG2-O 3.45Å; V97-R127 PolarHBondContact N-O 3.37Å; V97-E129 HydrophobicContact CG1-CB 3.86Å; V97-E129 HydrophobicContact CG1-CG 4Å; V97-E129 HydrophobicContact CG2-CB 4.44Å; V97-E129 HydrophobicContact CG2-CG 3.9Å
98E98.4Very high97.1Very high99 Ų9969.3 Ų69.346%0.46338%0.38SS..EExtended strand (participates in β ladder)trans-149.5135.4173.5-167.4179.6164.400109.8V126 R127E98-V126 HydrophobicContact CB-CG2 3.82Å; E98-V126 HydrophobicContact CG-CG2 3.56Å; E98-V126 PolarHBondContact O-N 2.9Å; E98-R127 HydrophobicContact CB-CB 3.76Å; E98-R127 PolarHBondContact N-O 2.89Å; E98-R127 PolarHBondContact O-N 2.74Å; E98-R127 IonicContact OE2-NE 3.6Å; E98-R127 PolarHBondContact OE2-NE 3.01Å
99T98.6Very high97.1Very high73 Ų7369.9 Ų69.945%0.44837%0.37SS..EExtended strand (participates in β ladder)trans-133.9147.1-178.457.70000111.3P96 Q124P96-T99 HydrophobicContact CB-CG2 3.96Å; T99-Q124 CarbonylContact C-O 3.54Å; T99-Q124 WeakPolarHBondContact CA-O 3.45Å; T99-Q124 WeakPolarHBondContact CB-O 3.41Å
100V98.5Very high96.9Very high63 Ų6371.8 Ų71.838%0.38237%0.371SS..EExtended strand (participates in β ladder)trans-128.5155.4173.5-56.10000109.8Q124 V126V100-Q124 HydrophobicContact CG2-CB 4.08Å; V100-Q124 PolarHBondContact N-O 3.44Å; V100-Q124 PolarHBondContact O-N 2.03Å; V100-V126 HydrophobicContact CB-CG1 4.3Å; V100-V126 HydrophobicContact CG1-CG1 3.88Å; V100-V126 HydrophobicContact CG1-CG2 3.99Å; V100-V126 HydrophobicContact CG2-CG1 3.51Å
101N98.6Very high96.7Very high122 Ų12268.6 Ų68.665%0.65237%0.37SS*.EExtended strand (participates in β ladder)trans-93.7142.1175.1-69.8-22.9000110.4T121 F122N101-T121 HydrophobicContact CB-CG2 3.71Å; N101-F122 CarbonylContact C-O 3.22Å; N101-F122 WeakPolarHBondContact CA-O 3.42Å
102V98.1Very high96.4Very high36 Ų3667.2 Ų67.222%0.21838%0.383CS..EExtended strand (participates in β ladder)trans-126.8131.8171.564.10000109.3L80 M104 T121 F122 Q124L80-V102 HydrophobicContact CD2-CG1 3.7Å; V102-M104 HydrophobicContact CG1-CE 3.8Å; V102-M104 HydrophobicContact CG2-CE 4.14Å; V102-M104 HydrophobicContact CG2-CG 4.41Å; V102-T121 CarbonylContact O-C 3.48Å; V102-T121 WeakPolarHBondContact O-CA 2.96Å; V102-F122 HydrophobicContact CG1-CB 4.07Å; V102-F122 PolarHBondContact N-O 3.16Å; V102-F122 PolarHBondContact O-N 3.04Å; V102-Q124 HydrophobicContact CB-CG 4.46Å; V102-Q124 HydrophobicContact CG1-CG 3.71Å
103T98.4Very high96.1Very high78 Ų7868.8 Ų68.848%0.47939%0.391SS..EExtended strand (participates in β ladder)trans-100130176-53.70000109.1E119 L120 T121T103-E119 HydrophobicContact CG2-CB 3.84Å; T103-E119 HydrophobicContact CG2-CG 4.47Å; T103-L120 CarbonylContact C-O 3.49Å; T103-L120 WeakPolarHBondContact CA-O 3.47Å; T103-T121 PolarHBondContact OG1-OG1 3.05Å
104M98.3Very high96.1Very high48 Ų4876.3 Ų76.324%0.23642%0.417CS..EExtended strand (participates in β ladder)trans-123.8145.4-179.3-63.8177.7177.600109.6V78 S79 L80 V102 L106 E119 L120 F122V78-M104 HydrophobicContact CB-SD 3.79Å; V78-M104 HydrophobicContact CG1-SD 3.92Å; V78-M104 HydrophobicContact CG2-SD 4.34Å; S79-M104 WeakPolarHBondContact O-CE 3.2Å; L80-M104 HydrophobicContact CD2-CE 3.7Å; V102-M104 HydrophobicContact CG1-CE 3.8Å; V102-M104 HydrophobicContact CG2-CE 4.14Å; V102-M104 HydrophobicContact CG2-CG 4.41Å; M104-L106 HydrophobicContact CB-CD1 3.76Å; M104-L106 WeakPolarHBondContact O-CD1 3.46Å; M104-E119 WeakPolarHBondContact O-CA 3.02Å; M104-L120 PolarHBondContact N-O 3.29Å; M104-L120 PolarHBondContact O-N 2.83Å; M104-F122 HydrophobicContact CB-CD2 4.42Å; M104-F122 HydrophobicContact CB-CE2 4.2Å; M104-F122 HydrophobicContact CG-CD2 4.33Å; M104-F122 HydrophobicContact SD-CD2 4.07Å; M104-F122 HydrophobicContact SD-CE2 4.26Å
105Q98.2Very high95.9Very high126 Ų12678.8 Ų78.859%0.58943%0.433SS*.EExtended strand (participates in β ladder)trans-91.4130.5172.6-173.8178.982.400110.1Y117 V118Q105-Y117 HydrophobicContact CG-CD1 4.01Å; Q105-Y117 HydrophobicContact CG-CG 4.44Å; Q105-V118 CarbonylContact C-O 3.56Å; Q105-V118 WeakPolarHBondContact CA-O 3.47Å
106L97.6Very high95.9Very high3 Ų380.1 Ų80.12%0.01644%0.443CS..EExtended strand (participates in β ladder)trans-133.2157.4-179.6-68.788.3000110.5I61 F73 V78 M104 Y117 V118 L120 F122I61-L106 HydrophobicContact CD1-CD2 3.08Å; I61-L106 HydrophobicContact CG1-CD2 3.91Å; F73-L106 HydrophobicContact CB-CD2 4.35Å; V78-L106 HydrophobicContact CG1-CD2 3.95Å; M104-L106 HydrophobicContact CB-CD1 3.76Å; M104-L106 WeakPolarHBondContact O-CD1 3.46Å; L106-Y117 CarbonylContact O-C 3.54Å; L106-Y117 WeakPolarHBondContact O-CA 3.06Å; L106-V118 HydrophobicContact CB-CG2 4.4Å; L106-V118 PolarHBondContact N-O 2.86Å; L106-V118 PolarHBondContact O-N 3.04Å; L106-L120 HydrophobicContact CD1-CB 4.27Å; L106-F122 HydrophobicContact CD1-CE2 4.15Å
107L97.4Very high95.8Very high44 Ų4485.4 Ų85.423%0.2346%0.457CS..EExtended strand (participates in β ladder)trans-91116.8171.1-173.772000109.5F73 S74 I109 P115 Y117F73-L107 CarbonylContact C-O 3.58Å; F73-L107 WeakPolarHBondContact CA-O 3.09Å; S74-L107 PolarHBondContact N-O 3.45Å; S74-L107 PolarHBondContact O-N 3.35Å; L107-I109 HydrophobicContact CD2-CD1 4.24Å; L107-I109 HydrophobicContact CD2-CG1 4.28Å; L107-I109 HydrophobicContact CG-CG1 4.22Å; L107-P115 HydrophobicContact CD1-CB 3.84Å; L107-P115 HydrophobicContact CD2-CB 4.28Å; L107-P115 HydrophobicContact CG-CB 4.15Å; L107-Y117 HydrophobicContact CD1-CD1 4.32Å; L107-Y117 HydrophobicContact CD1-CE1 4.22Å
108K96.1Very high95.7Very high44 Ų4485 Ų8519%0.19145%0.454CS..EExtended strand (participates in β ladder)trans-90.9126.4173.6-172.7173.6-173.5168.50109.8E68 H71 F73 P115 S116 V118E68-K108 IonicContact OE1-NZ 2.84Å; E68-K108 WeakPolarHBondContact OE2-CE 3.4Å; E68-K108 IonicContact OE2-NZ 3.96Å; E68-K108 PolarHBondContact OE2-NZ 2.02Å; H71-K108 HydrophobicContact CB-CG 4.15Å; H71-K108 WeakPolarHBondContact CD2-CE 3.47Å; H71-K108 PolarHBondContact CE1-NZ 3.49Å; H71-K108 WeakPolarHBondContact ND1-CE 3.46Å; H71-K108 WeakPolarHBondContact NE2-CE 3.27Å; F73-K108 HydrophobicContact CD1-CB 4.38Å; F73-K108 HydrophobicContact CE1-CB 4.2Å; F73-K108 HydrophobicContact CE1-CD 4.29Å; F73-K108 HydrophobicContact CE1-CG 4.02Å; K108-P115 WeakPolarHBondContact O-CA 2.91Å; K108-S116 PolarHBondContact N-O 3.47Å; K108-S116 PolarHBondContact O-N 3.1Å; K108-V118 HydrophobicContact CB-CG1 3.79Å; K108-V118 HydrophobicContact CB-CG2 3.86Å; K108-V118 HydrophobicContact CD-CG1 3.92Å
109I94.7Very high95.7Very high65 Ų6587 Ų8733%0.33346%0.464SS..EExtended strand (participates in β ladder)trans-121.1122-177.7-52174.4000107.9M72 L107 P115M72-I109 HydrophobicContact CB-CB 4.29Å; M72-I109 PolarHBondContact N-O 2.85Å; M72-I109 PolarHBondContact O-N 2.87Å; L107-I109 HydrophobicContact CD2-CD1 4.24Å; L107-I109 HydrophobicContact CD2-CG1 4.28Å; L107-I109 HydrophobicContact CG-CG1 4.22Å; I109-P115 HydrophobicContact CG1-CB 4.38Å
110R90.9Very high95.6Very high118 Ų11884.6 Ų84.645%0.44545%0.448SS..  trans-124.3138.9176.7-165.8177.8-179.7-1498.3109.2G112 D113R110-G112 PolarHBondContact O-N 2.94Å; R110-D113 HydrophobicContact CB-CB 4.3Å; R110-D113 WeakPolarHBondContact CD-OD2 3.46Å; R110-D113 IonicContact CZ-OD2 2.85Å; R110-D113 IonicContact NH1-OD2 3.07Å; R110-D113 PolarHBondContact NH1-OD2 2.83Å; R110-D113 VanDerWaalsContact NH1-OD2 3.07Å; R110-D113 PolarHBondContact O-N 2.93Å
111S88.5Confident95.6Very high124 Ų12484.4 Ų84.487%0.86745%0.447SS*.THydrogen-bonded Turntrans-61.3122.6176.3-61.20000110.7
112G88.3Confident95.6Very high84 Ų8478.6 Ų78.687%0.86642%0.416SS*.THydrogen-bonded Turntrans95.1-17.4178.100000115.2R110R110-G112 PolarHBondContact O-N 2.94Å
113D90.6Very high95.6Very high90 Ų9078.9 Ų78.948%0.48142%0.42SS..SBendtrans-106.1160.3177.7-64.9-31.6000111.2R110R110-D113 HydrophobicContact CB-CB 4.3Å; R110-D113 WeakPolarHBondContact CD-OD2 3.46Å; R110-D113 IonicContact CZ-OD2 2.85Å; R110-D113 IonicContact NH1-OD2 3.07Å; R110-D113 PolarHBondContact NH1-OD2 2.83Å; R110-D113 VanDerWaalsContact NH1-OD2 3.07Å; R110-D113 PolarHBondContact O-N 2.93Å
114R94.2Very high95.6Very high230 Ų23076.8 Ų76.887%0.86841%0.405SS*.  trans-71.3139.3172.5-71.4-174.9174.1-170.5-1.6110
115P95.5Very high95.6Very high78 Ų7876.1 Ų76.151%0.50640%0.401SS..  trans-55.1141.4171.6-25.334.6000111.6L107 K108 I109L107-P115 HydrophobicContact CD1-CB 3.84Å; L107-P115 HydrophobicContact CD2-CB 4.28Å; L107-P115 HydrophobicContact CG-CB 4.15Å; K108-P115 WeakPolarHBondContact O-CA 2.91Å; I109-P115 HydrophobicContact CG1-CB 4.38Å
116S96Very high95.6Very high58 Ų5872.9 Ų72.941%0.40639%0.39SS..EExtended strand (participates in β ladder)trans-139.1147.7-17856.40000111.7K108K108-S116 PolarHBondContact N-O 3.47Å; K108-S116 PolarHBondContact O-N 3.1Å
117Y97.6Very high95.6Very high166 Ų16678 Ų7865%0.65141%0.408SS*.EExtended strand (participates in β ladder)trans-77.7135.2172.2-67.8-75.1000110Q105 L106 L107Q105-Y117 HydrophobicContact CG-CD1 4.01Å; Q105-Y117 HydrophobicContact CG-CG 4.44Å; L106-Y117 CarbonylContact O-C 3.54Å; L106-Y117 WeakPolarHBondContact O-CA 3.06Å; L107-Y117 HydrophobicContact CD1-CD1 4.32Å; L107-Y117 HydrophobicContact CD1-CE1 4.22Å
118V96.3Very high95.7Very high35 Ų3576.8 Ų76.821%0.21240%0.404CS..EExtended strand (participates in β ladder)trans-131.2152176.9-61.90000109.9F73 Q105 L106 K108 L120F73-V118 HydrophobicContact CE1-CG2 4.22Å; Q105-V118 CarbonylContact C-O 3.56Å; Q105-V118 WeakPolarHBondContact CA-O 3.47Å; L106-V118 HydrophobicContact CB-CG2 4.4Å; L106-V118 PolarHBondContact N-O 2.86Å; L106-V118 PolarHBondContact O-N 3.04Å; K108-V118 HydrophobicContact CB-CG1 3.79Å; K108-V118 HydrophobicContact CB-CG2 3.86Å; K108-V118 HydrophobicContact CD-CG1 3.92Å; V118-L120 HydrophobicContact CG2-CG 4.34Å
119E97.9Very high95.8Very high143 Ų14377.6 Ų77.667%0.66841%0.408SS*.EExtended strand (participates in β ladder)trans-104.8121.2174-68.7179.9-178.600109.1T103 M104T103-E119 HydrophobicContact CG2-CB 3.84Å; T103-E119 HydrophobicContact CG2-CG 4.47Å; M104-E119 WeakPolarHBondContact O-CA 3.02Å
120L96.9Very high96Very high22 Ų2275.7 Ų75.712%0.11540%0.4CS..EExtended strand (participates in β ladder)trans-116.5142.7176.1-62.9-177.1000109.7I61 Y65 F73 T103 M104 L106 V118 F122I61-L120 HydrophobicContact CG2-CD1 3.88Å; Y65-L120 HydrophobicContact CD2-CD1 4.49Å; Y65-L120 HydrophobicContact CE1-CD2 4.44Å; Y65-L120 HydrophobicContact CE2-CB 4.32Å; F73-L120 HydrophobicContact CD1-CD1 4.26Å; F73-L120 HydrophobicContact CE1-CD1 3.81Å; F73-L120 HydrophobicContact CZ-CD1 4.16Å; T103-L120 CarbonylContact C-O 3.49Å; T103-L120 WeakPolarHBondContact CA-O 3.47Å; M104-L120 PolarHBondContact N-O 3.29Å; M104-L120 PolarHBondContact O-N 2.83Å; L106-L120 HydrophobicContact CD1-CB 4.27Å; V118-L120 HydrophobicContact CG2-CG 4.34Å; L120-F122 HydrophobicContact CB-CE2 3.66Å; L120-F122 HydrophobicContact CB-CZ 3.84Å; L120-F122 HydrophobicContact CD1-CZ 4.21Å
121T98.2Very high96.2Very high58 Ų5875.7 Ų75.736%0.35640%0.4SS..EExtended strand (participates in β ladder)trans-109.6120.7-176.6-60.30000111.1Y65 N101 V102 T103Y65-T121 PolarHBondContact OH-N 3.09Å; Y65-T121 VanDerWaalsContact OH-N 3.11Å; Y65-T121 PolarHBondContact OH-O 2.88Å; N101-T121 HydrophobicContact CB-CG2 3.71Å; V102-T121 CarbonylContact O-C 3.48Å; V102-T121 WeakPolarHBondContact O-CA 2.96Å; T103-T121 PolarHBondContact OG1-OG1 3.05Å
122F98.4Very high96.6Very high1 Ų174.1 Ų74.10%0.00439%0.387CS..EExtended strand (participates in β ladder)trans-110146.1-177-59.8-89.9000110.7I61 E64 Y65 V78 L80 N101 V102 M104 L106 L120I61-F122 HydrophobicContact CG1-CE1 4.5Å; I61-F122 HydrophobicContact CG1-CZ 4.28Å; I61-F122 HydrophobicContact CG2-CZ 4.42Å; E64-F122 HydrophobicContact CB-CD1 4.33Å; E64-F122 HydrophobicContact CB-CE1 4.28Å; E64-F122 HydrophobicContact CG-CD1 4.31Å; E64-F122 HydrophobicContact CG-CE1 4.49Å; Y65-F122 HydrophobicContact CD2-CE1 4.02Å; Y65-F122 AromaticContact CE2-CD1 3.99Å; Y65-F122 HydrophobicContact CE2-CD1 3.99Å; Y65-F122 AromaticContact CE2-CE1 3.66Å; Y65-F122 HydrophobicContact CE2-CE1 3.66Å; Y65-F122 HydrophobicContact CE2-CZ 4.1Å; V78-F122 HydrophobicContact CG1-CE2 4.41Å; V78-F122 HydrophobicContact CG1-CZ 4.33Å; V78-F122 HydrophobicContact CG2-CD1 4.05Å; V78-F122 HydrophobicContact CG2-CD2 4.39Å; V78-F122 HydrophobicContact CG2-CE1 3.78Å; V78-F122 HydrophobicContact CG2-CE2 4.16Å; V78-F122 HydrophobicContact CG2-CG 4.34Å; V78-F122 HydrophobicContact CG2-CZ 3.85Å; L80-F122 HydrophobicContact CD1-CB 3.67Å; L80-F122 HydrophobicContact CD1-CD1 3.91Å; L80-F122 HydrophobicContact CD1-CG 3.98Å; L80-F122 HydrophobicContact CD2-CB 3.54Å; L80-F122 HydrophobicContact CD2-CG 4.15Å; L80-F122 HydrophobicContact CG-CB 4.27Å; N101-F122 CarbonylContact C-O 3.22Å; N101-F122 WeakPolarHBondContact CA-O 3.42Å; V102-F122 HydrophobicContact CG1-CB 4.07Å; V102-F122 PolarHBondContact N-O 3.16Å; V102-F122 PolarHBondContact O-N 3.04Å; M104-F122 HydrophobicContact CB-CD2 4.42Å; M104-F122 HydrophobicContact CB-CE2 4.2Å; M104-F122 HydrophobicContact CG-CD2 4.33Å; M104-F122 HydrophobicContact SD-CD2 4.07Å; M104-F122 HydrophobicContact SD-CE2 4.26Å; L106-F122 HydrophobicContact CD1-CE2 4.15Å; L120-F122 HydrophobicContact CB-CE2 3.66Å; L120-F122 HydrophobicContact CB-CZ 3.84Å; L120-F122 HydrophobicContact CD1-CZ 4.21Å
123S98.2Very high96.5Very high42 Ų4275 Ų7529%0.29437%0.372SS..EExtended strand (participates in β ladder)trans-84129.1170.6-178.90000110.3
124Q98.1Very high96Very high34 Ų3481.9 Ų81.916%0.15939%0.391CS..EExtended strand (participates in β ladder)trans-113.2142.6174.7-71.9-159.787.700110.9L80 L81 T99 V100 V102L80-Q124 HydrophobicContact CB-CG 4.36Å; L80-Q124 HydrophobicContact CD2-CG 3.71Å; L81-Q124 HydrophobicContact CB-CB 4.33Å; T99-Q124 CarbonylContact C-O 3.54Å; T99-Q124 WeakPolarHBondContact CA-O 3.45Å; T99-Q124 WeakPolarHBondContact CB-O 3.41Å; V100-Q124 HydrophobicContact CG2-CB 4.08Å; V100-Q124 PolarHBondContact N-O 3.44Å; V100-Q124 PolarHBondContact O-N 2.03Å; V102-Q124 HydrophobicContact CB-CG 4.46Å; V102-Q124 HydrophobicContact CG1-CG 3.71Å
125H98.6Very high94.7Very high33 Ų3379 Ų7915%0.15339%0.387CS..EExtended strand (participates in β ladder)trans-92.1117.4175.3-54.1-178.4000108.7A54 L81 C83 P96A54-H125 VanDerWaalsContact CB-O 3.24Å; A54-H125 WeakPolarHBondContact CB-O 2.91Å; L81-H125 VanDerWaalsContact CB-O 3.27Å; L81-H125 WeakPolarHBondContact CB-O 3.37Å; L81-H125 PolarHBondContact O-N 3.2Å; C83-H125 PolarHBondContact N-ND1 2.81Å; C83-H125 VanDerWaalsContact SG-CB 3.56Å; C83-H125 PolarHBondContact SG-ND1 3.31Å; P96-H125 HydrophobicContact CB-CB 4.09Å
126V97.8Very high93Very high59 Ų5984.8 Ų84.836%0.35840%0.404SS..EExtended strand (participates in β ladder)trans-100.4-19.4-179.7-66.40000112.6E98 V100E98-V126 HydrophobicContact CB-CG2 3.82Å; E98-V126 HydrophobicContact CG-CG2 3.56Å; E98-V126 PolarHBondContact O-N 2.9Å; V100-V126 HydrophobicContact CB-CG1 4.3Å; V100-V126 HydrophobicContact CG1-CG1 3.88Å; V100-V126 HydrophobicContact CG1-CG2 3.99Å; V100-V126 HydrophobicContact CG2-CG1 3.51Å
127R98.4Very high91.2Very high109 Ų10990.1 Ų90.141%0.41143%0.425SS..EExtended strand (participates in β ladder)trans-143.5134.8176.1-159.117267.180.24.4110.8V97 E98 E129V97-R127 HydrophobicContact CG2-CB 3.92Å; V97-R127 HydrophobicContact CG2-CG 3.9Å; V97-R127 VanDerWaalsContact CG2-O 3.3Å; V97-R127 WeakPolarHBondContact CG2-O 3.45Å; V97-R127 PolarHBondContact N-O 3.37Å; E98-R127 HydrophobicContact CB-CB 3.76Å; E98-R127 PolarHBondContact N-O 2.89Å; E98-R127 PolarHBondContact O-N 2.74Å; E98-R127 IonicContact OE2-NE 3.6Å; E98-R127 PolarHBondContact OE2-NE 3.01Å; R127-E129 IonicContact CZ-OE1 3.88Å; R127-E129 IonicContact NH1-OE1 3.93Å; R127-E129 PolarHBondContact NH1-OE1 2.99Å; R127-E129 IonicContact NH2-OE1 2.65Å
128C98.5Very high89.2Confident19 Ų1991.1 Ų91.113%0.12843%0.433CS..EExtended strand (participates in β ladder)trans-127.3147.1-175.3-53.80000110.8R53 A54 C83 V95R53-C128 VanDerWaalsContact C-SG 3.55Å; A54-C128 PolarHBondContact N-SG 2.97Å; A54-C128 VanDerWaalsContact N-SG 3.37Å; C83-C128 WeakPolarHBondContact CA-SG 3.38Å; C83-C128 HydrophobicContact CB-CB 3.82Å; C83-C128 WeakPolarHBondContact CB-SG 3.41Å; C83-C128 WeakPolarHBondContact SG-CB 3.48Å; C83-C128 CovalentContact SG-SG 2.03Å; C83-C128 PolarHBondContact SG-SG 3.43Å; V95-C128 VanDerWaalsContact O-CA 3.31Å; V95-C128 WeakPolarHBondContact O-CA 2.95Å
129E98.2Very high87.3Confident61 Ų6195.3 Ų95.329%0.28546%0.46SS..EExtended strand (participates in β ladder)trans-142.5155.1175.3-73.2177-162.300111.4V95 V97 R127 R131V95-E129 WeakPolarHBondContact CG2-O 3.02Å; V95-E129 PolarHBondContact N-O 3.18Å; V95-E129 PolarHBondContact O-N 2.89Å; V97-E129 HydrophobicContact CG1-CB 3.86Å; V97-E129 HydrophobicContact CG1-CG 4Å; V97-E129 HydrophobicContact CG2-CB 4.44Å; V97-E129 HydrophobicContact CG2-CG 3.9Å; R127-E129 IonicContact CZ-OE1 3.88Å; R127-E129 IonicContact NH1-OE1 3.93Å; R127-E129 PolarHBondContact NH1-OE1 2.99Å; R127-E129 IonicContact NH2-OE1 2.65Å; E129-R131 IonicContact OE2-CZ 3.12Å; E129-R131 IonicContact OE2-NE 2.62Å; E129-R131 PolarHBondContact OE2-NE 3.07Å; E129-R131 IonicContact OE2-NH2 3.94Å; E129-R131 PolarHBondContact OE2-NH2 3.33Å
130C98.1Very high85.6Confident25 Ų2596.6 Ų96.617%0.16947%0.466CS..EExtended strand (participates in β ladder)trans-81.2119170.1-69.40000110.5C52 C87 L92C52-C130 WeakPolarHBondContact CB-SG 3.14Å; C87-C130 WeakPolarHBondContact CA-SG 3.35Å; C87-C130 HydrophobicContact CB-CB 3.64Å; C87-C130 WeakPolarHBondContact CB-SG 3.25Å; C87-C130 WeakPolarHBondContact SG-CA 3.28Å; C87-C130 WeakPolarHBondContact SG-CB 3.41Å; C87-C130 CovalentContact SG-SG 2.02Å; C87-C130 PolarHBondContact SG-SG 2.9Å; L92-C130 HydrophobicContact CB-CB 4.36Å; L92-C130 HydrophobicContact CD1-CB 4.19Å
131R96.5Very high83.8Confident118 Ų118106.8 Ų106.845%0.44550%0.503SS..EExtended strand (participates in β ladder)trans-124.4148.9-179.9-62.4-61.7-171.2107.9-2.4111.2L92 H93 V95 E129 L133L92-R131 WeakPolarHBondContact CA-O 3.29Å; H93-R131 PolarHBondContact N-O 3.2Å; H93-R131 PolarHBondContact ND1-O 2.88Å; H93-R131 PolarHBondContact O-N 3.42Å; V95-R131 HydrophobicContact CG2-CB 3.81Å; V95-R131 HydrophobicContact CG2-CG 3.42Å; V95-R131 VanDerWaalsContact CG2-CG 3.42Å; E129-R131 IonicContact OE2-CZ 3.12Å; E129-R131 IonicContact OE2-NE 2.62Å; E129-R131 PolarHBondContact OE2-NE 3.07Å; E129-R131 IonicContact OE2-NH2 3.94Å; E129-R131 PolarHBondContact OE2-NH2 3.33Å; R131-L133 PolarHBondContact O-N 2.94Å
132P95.3Very high81.9Confident91 Ų91115 Ų11559%0.59153%0.528SS*.EExtended strand (participates in β ladder)trans-56.5137.6176-2634.8000112.7N91 L92 H93 R134N91-P132 WeakPolarHBondContact O-CA 3.39Å; L92-P132 HydrophobicContact CD2-CB 4.41Å; L92-P132 HydrophobicContact CD2-CG 4.07Å; H93-P132 PolarHBondContact CE1-O 3.48Å; H93-P132 VanDerWaalsContact CE1-O 3.29Å; P132-R134 PolarHBondContact O-N 2.84Å
133L87.1Confident80.2Confident104 Ų104126.2 Ų126.255%0.54557%0.57SS.*  trans-61.6118.6172-149.873.9000108.2N91 H93 R131 E135N91-L133 PolarHBondContact O-N 2.69Å; H93-L133 HydrophobicContact CB-CD1 4.02Å; R131-L133 PolarHBondContact O-N 2.94Å; L133-E135 PolarHBondContact O-N 2.62Å; L133-E135 VanDerWaalsContact O-N 3.07Å
134R79.6Confident78.2Confident233 Ų233130.3 Ų130.388%0.87960%0.596SS**  trans-74.2102.3168.8-70.9-172175.8-172.3-0.5107P132 K136P132-R134 PolarHBondContact O-N 2.84Å; R134-K136 PolarHBondContact O-N 2.84Å
135E67.1Low76.2Confident170 Ų170138.8 Ų138.879%0.79463%0.632SS**  trans-55.3114.7166.3-73.6-170.1164.700107.7L133 M137L133-E135 PolarHBondContact O-N 2.62Å; L133-E135 VanDerWaalsContact O-N 3.07Å; E135-M137 PolarHBondContact O-N 3.12Å
136K60.9Low73.9Confident199 Ų199140.6 Ų140.687%0.86566%0.66SS**  trans-63.994.8166.4-66.9-177.9-178.6179.60105.3R134 K138R134-K136 PolarHBondContact O-N 2.84Å; K136-K138 VanDerWaalsContact C-N 3.33Å; K136-K138 PolarHBondContact O-N 3.21Å
137M58.5Low71.6Confident170 Ų170149.4 Ų149.484%0.83769%0.687SS**  trans-52.9105.1167.7-70.4-17684.500106E135 P139E135-M137 PolarHBondContact O-N 3.12Å; M137-P139 WeakPolarHBondContact O-CD 3.41Å
138K55.7Low69.5Low188 Ų188147.9 Ų147.982%0.81771%0.705SS**  trans-55.1127.8170.2-76.4-177.6177176.90105.1K136 E140K136-K138 VanDerWaalsContact C-N 3.33Å; K136-K138 PolarHBondContact O-N 3.21Å; K138-E140 VanDerWaalsContact C-N 3.32Å; K138-E140 PolarHBondContact O-N 3.2Å
139P56Low67.3Low122 Ų122157 Ų15779%0.79274%0.742SS**  trans-59105.4171.5-1323.7000106.3M137 R141M137-P139 WeakPolarHBondContact O-CD 3.41Å; P139-R141 PolarHBondContact O-N 3.29Å
140E62.4Low65Low170 Ų170165.4 Ų165.479%0.79477%0.772SS**  trans-59.8108.3174.1-170.2-178.8175.200105.4K138 R142K138-E140 VanDerWaalsContact C-N 3.32Å; K138-E140 PolarHBondContact O-N 3.2Å; E140-R142 PolarHBondContact O-N 3.08Å
141R59Low62.7Low237 Ų237174.2 Ų174.289%0.89480%0.801SS**  trans-60.591.5171.7-75.1-178.6175.9175.6-1.3106.1P139 R143P139-R141 PolarHBondContact O-N 3.29Å; R141-R143 PolarHBondContact O-N 3.01Å
142R57.6Low60.5Low230 Ų230179.9 Ų179.987%0.86882%0.823SS**  trans-53.5102.7173.5-72.8-175.2175-179.3-0.9107.1E140 P144E140-R142 PolarHBondContact O-N 3.08Å; R142-P144 WeakPolarHBondContact O-CD 3.43Å
143R61.8Low58.4Low237 Ų237182.2 Ų182.289%0.89483%0.825SS**  trans-57.5124.1169.7-78.9-178.3171.9-176.7-2106.8R141 K145R141-R143 PolarHBondContact O-N 3.01Å; R143-K145 PolarHBondContact O-N 3.03Å; R143-K145 VanDerWaalsContact O-N 3.08Å
144P57Low56.3Low128 Ų128185 Ų18583%0.83183%0.833SS**  trans-60.9118.5173.2-18.830.5000108.4R142 G146R142-P144 WeakPolarHBondContact O-CD 3.43Å; P144-G146 PolarHBondContact O-N 3.05Å
145K55.3Low54.5Low211 Ų211181.9 Ų181.992%0.91783%0.829SS**  trans-65.2101.9176.2-157.7163.6-174.9172.80107.4R143 R147R143-K145 PolarHBondContact O-N 3.03Å; R143-K145 VanDerWaalsContact O-N 3.08Å; K145-R147 PolarHBondContact O-N 3.41Å; K145-R147 VanDerWaalsContact O-N 3.13Å
146G50.3Low53.3Low72 Ų72185.1 Ų185.174%0.74283%0.834SS**PPolyproline II helixtrans-53116.5-179.400000110.9P144 G148P144-G146 PolarHBondContact O-N 3.05Å; G146-G148 PolarHBondContact O-N 3.31Å
147R50.3Low52.9Low243 Ų243180.3 Ų180.392%0.91782%0.823SS**PPolyproline II helixtrans-55.3121.4177.9-136.5173.9178.9-175.4-0.9109.4K145 K149K145-R147 PolarHBondContact O-N 3.41Å; K145-R147 VanDerWaalsContact O-N 3.13Å; R147-K149 PolarHBondContact O-N 3.09Å
148G53.6Low52Low77 Ų77179.1 Ų179.179%0.79483%0.825SS**PPolyproline II helixtrans-52.7129.917800000112.3G146G146-G148 PolarHBondContact O-N 3.31Å
149K52.1Low51.2Low210 Ų210175.8 Ų175.891%0.91382%0.816SS**PPolyproline II helixtrans-103.4119167.1-99.6-177.1175.5179.50109.7R147R147-K149 PolarHBondContact O-N 3.09Å
150R51Low50.7Low239 Ų239176 Ų17690%0.90282%0.82SS**  trans-40.6132.1176-75168.4165.4178.6-5.8114.8
151R49.8Very low49.9Very low209 Ų209175.7 Ų175.779%0.78982%0.818SS**  trans9112.6136.7-167.4176.5175.1172.3-1.7115.5E153R151-E153 IonicContact CZ-OE2 2.76Å; R151-E153 IonicContact NE-OE2 2.81Å; R151-E153 PolarHBondContact NE-OE2 3.23Å; R151-E153 IonicContact NH2-OE2 3.43Å; R151-E153 PolarHBondContact NH2-OE2 3.17Å
152R49.5Very low49.3Very low238 Ų238172 Ų17290%0.89882%0.815SS**  trans-120.3101.8154.1-162.1175-172.4-175.52.1108.8
153E51Low48.6Very low139 Ų139167.2 Ų167.265%0.6582%0.815SS**  trans-73.5122.8171-175.6170.2162.800108.8R151R151-E153 IonicContact CZ-OE2 2.76Å; R151-E153 IonicContact NE-OE2 2.81Å; R151-E153 PolarHBondContact NE-OE2 3.23Å; R151-E153 IonicContact NH2-OE2 3.43Å; R151-E153 PolarHBondContact NH2-OE2 3.17Å
154K44.5Very low47.5Very low163 Ų163159.4 Ų159.471%0.70981%0.808SS**  trans-161.6109.4156.1-122.7-178.7175.7-169.80112.4
155Q41.5Very low46.7Very low168 Ų168161.4 Ų161.479%0.78581%0.812SS**  trans70.9109.1138.7-68.3166.71.600120
156R40.8Very low45.8Very low237 Ų237156.1 Ų156.189%0.89481%0.808SS**  trans-65.4-178.3150.7-129.2-166.4163.9-179-3.3109.8
157P52.3Low45.6Very low98 Ų98159.5 Ų159.564%0.63681%0.814SS**  cis-134159.5-20.631.7-13.9000113
158T39.5Very low45.3Very low146 Ų146153 Ų15390%0.89680%0.803SS**  trans-153.1134.5136.1-33.80000111.5
159D39.9Very low44.8Very low117 Ų117161.1 Ų161.163%0.62681%0.81SS**  trans-50.1142.6169.6179.121.3000113.6H161D159-H161 IonicContact OD1-CD2 3.9Å; D159-H161 PolarHBondContact OD1-N 3.14Å
160C44.5Very low44.3Very low128 Ų128166.6 Ų166.687%0.86583%0.825SS**  trans-156.693.6139.3-99.30000107.7L162C160-L162 PolarHBondContact O-N 2.71Å
161H47.1Very low44Very low163 Ų163163 Ų16376%0.75582%0.821SS**  trans-37.2125.4141.8-98.1-83.9000110.4D159D159-H161 IonicContact OD1-CD2 3.9Å; D159-H161 PolarHBondContact OD1-N 3.14Å
162L45.3Very low43.7Very low159 Ų159160.5 Ų160.583%0.83282%0.822SS**  trans162.5135.7132.7-84161000110.9C160C160-L162 PolarHBondContact O-N 2.71Å
163C43.4Very low43.4Very low130 Ų130156.2 Ų156.288%0.87882%0.818SS**  trans76.7121.2164.3-53.20000115.3
164G38.4Very low42.9Very low72 Ų72157.2 Ų157.274%0.74283%0.828SS**  cis155.6143.113.500000106.5
165D40Very low42.8Very low170 Ų170156.9 Ų156.991%0.90984%0.836SS**  trans-52.1138-173.7-58.8-79.4000115
166A37.7Very low42.9Very low101 Ų101156.1 Ų156.184%0.83584%0.839SS**  trans-170.3103141.400000111.9
167V45.5Very low43.1Very low142 Ų142150.4 Ų150.486%0.86184%0.835SS**  trans-127.3151.9151.8176.10000104.9
168P44.8Very low42.4Very low108 Ų108154.4 Ų154.470%0.70185%0.85SS**  cis-127.1177.9-16.930.8-12.2000112.4
169R42.8Very low42.6Very low247 Ų247155.1 Ų155.193%0.93285%0.847SS**  trans-145.4118.2144.9-81.9-151.4173.1-170.4-0.2113.3
170R41.7Very low42.8Very low324 Ų324158.5 Ų158.5100%1.22387%0.867SS**  trans52.60158.9-75.5-173.8-173.4179.52119.7

Retrieved 170 of 170 residues in 74.9 ms (Link to these results)