A0A096LWG7_POEFO Loading...

Alpha-crystallin B chain

AlphaFold DB , UniProt , Accession A0A096LWG7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 164 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
1M36.6Very low38.5Very low232 Ų232172 Ų172100%1.14380%0.799SS**  086.20-77.4-164.2-168.800105.2
2D36.1Very low38Very low160 Ų160178.8 Ų178.886%0.85681%0.812SS**  trans-95.9116.3-174.7-55.5-62.5000107.5P4D2-P4 WeakPolarHBondContact O-CD 3.48Å
3I37.2Very low37.9Very low148 Ų148170.5 Ų170.576%0.75979%0.794SS**  trans-80.2117.2-179.3-59.5162.9000106.6I5I3-I5 PolarHBondContact O-N 3.11Å
4P35.2Very low37.5Very low112 Ų112171.7 Ų171.773%0.72780%0.796SS**  trans-71.8112.7173.328.6-31.2000108.5D2 Q6D2-P4 WeakPolarHBondContact O-CD 3.48Å; P4-Q6 VanDerWaalsContact C-N 3.32Å; P4-Q6 PolarHBondContact O-N 3.48Å
5I36.4Very low36.6Very low126 Ų126172.7 Ų172.765%0.64680%0.801SS**  trans-75.490.8171-57.2176.9000107.4I3 Y7I3-I5 PolarHBondContact O-N 3.11Å; I5-Y7 HydrophobicContact CG2-CD2 3.27Å; I5-Y7 HydrophobicContact CG2-CE2 3.06Å; I5-Y7 HydrophobicContact CG2-CG 4.16Å
6Q39.3Very low35.9Very low174 Ų174167.2 Ų167.281%0.81379%0.788SS**  trans-76.3115.6155.6-81.3-170.9-46.200108.2P4P4-Q6 VanDerWaalsContact C-N 3.32Å; P4-Q6 PolarHBondContact O-N 3.48Å
7Y38.9Very low36.2Very low196 Ų196171 Ų17177%0.76979%0.793SS**  trans-108.7113.5153.9-72.5-60.7000109.2I5I5-Y7 HydrophobicContact CG2-CD2 3.27Å; I5-Y7 HydrophobicContact CG2-CE2 3.06Å; I5-Y7 HydrophobicContact CG2-CG 4.16Å
8P43Very low35.8Very low87 Ų87171.9 Ų171.957%0.56580%0.795SS**  trans-98.6113.7-175.535.3-27.9000110.7Y10P8-Y10 HydrophobicContact CB-CD2 3.61Å; P8-Y10 HydrophobicContact CB-CE2 3.6Å; P8-Y10 HydrophobicContact CG-CE2 4.31Å
9W43Very low35.5Very low241 Ų241168.2 Ų168.291%0.91379%0.79SS**  trans-119.240154.845.1-89.6000110.9
10Y39.5Very low36Very low191 Ų191168 Ų16875%0.74980%0.795SS**  trans40.391.6148.3-93.3-85.8000117.6P8 R12P8-Y10 HydrophobicContact CB-CD2 3.61Å; P8-Y10 HydrophobicContact CB-CE2 3.6Å; P8-Y10 HydrophobicContact CG-CE2 4.31Å; Y10-R12 PolarHBondContact O-N 3.36Å
11R38Very low36.2Very low225 Ų225168 Ų16885%0.84980%0.799SS**  -9.4108.1124.1-165.1-161.9-65.9-97.46.7112.9A13R11-A13 PolarHBondContact O-N 3.31Å
12R33.2Very low36.5Very low254 Ų254161.4 Ų161.496%0.95878%0.776SS**  trans-74.9114.7160.2-90.3-167.3-89-174.9-7.8109.1Y10Y10-R12 PolarHBondContact O-N 3.36Å
13A35.9Very low36.5Very low70 Ų70161.5 Ų161.558%0.57978%0.775SS**  trans-153138158.500000105.9R11R11-A13 PolarHBondContact O-N 3.31Å
14F32.4Very low36.4Very low188 Ų188158.6 Ų158.683%0.82577%0.773SS**  cis-171.7159.238.5-122.3-81.2000110
15Q24.7Very low36.8Very low186 Ų186161 Ų16187%0.86978%0.775SS**  -179.9139127.7-98-179.5-900107.1
16S25.7Very low37.2Very low85 Ų85160.4 Ų160.459%0.59478%0.779SS**  cis-168.6145.5-10.135.10000107.3
17R40.9Very low37.6Very low232 Ų232158.9 Ų158.988%0.87578%0.776SS**  trans-23.1130.9158.3-113.4178.6-178.3-153.51.1115.2
18F29.3Very low37.9Very low188 Ų188154 Ų15483%0.82578%0.776SS**  trans-154.593.9136.7-79.2-69.1000105.8
19S29.6Very low37.7Very low100 Ų100156.9 Ų156.970%0.69979%0.787SS**  86.6121.695.751.30000113
20D44.6Very low38.2Very low165 Ų165155.1 Ų155.188%0.88278%0.78SS**  trans-42.2134.6170.3-72.1-59.8000112.9
21L41.4Very low38.6Very low168 Ų168150.5 Ų150.588%0.8877%0.774SS**  trans-131.4120.6150.3-90.6167.4000108.7
22S42Very low39.3Very low94 Ų94145.7 Ų145.766%0.65776%0.764SS**  trans-51.4172.3170.255.50000115.3
23L36.7Very low39.6Very low162 Ų162139.6 Ų139.685%0.84876%0.755SS**  trans104.7115142-98.7151.5000117.7
24A35.5Very low39.7Very low86 Ų86147.5 Ų147.571%0.71177%0.77SS**  trans82.7104.2145.800000119
25E42.6Very low40.3Very low163 Ų163143.1 Ų143.176%0.76276%0.76SS**  trans-40.3148.9135-91-131.7135.100111.8
26P44.9Very low41.2Very low113 Ų113143.2 Ų143.273%0.73476%0.758SS**  -147.9157.680.534.9-14.8000117A28P26-A28 PolarHBondContact O-N 2.92Å
27L47.8Very low42Very low142 Ų142144.3 Ų144.374%0.74377%0.766SS**  trans-26.8123151.4-75.4114.1000113.1
28A45.5Very low42.1Very low95 Ų95144.6 Ų144.679%0.78577%0.767SS**  trans-144.1115.5152.500000107.8P26P26-A28 PolarHBondContact O-N 2.92Å
29D37.6Very low42.8Very low146 Ų146140.4 Ų140.478%0.78176%0.761SS**  trans-48.1136.1178.5-65.6-60000111.9P31D29-P31 WeakPolarHBondContact O-CD 3.34Å
30W54.3Low43.3Very low204 Ų204142.1 Ų142.177%0.77376%0.756SS**  trans-55.8134.2160.1125.9-75.3000108.7L32W30-L32 HydrophobicContact CH2-CD2 3.75Å; W30-L32 HydrophobicContact CH2-CG 4.13Å; W30-L32 HydrophobicContact CZ2-CD2 3.82Å; W30-L32 HydrophobicContact CZ2-CG 3.97Å
31P48.6Very low43.3Very low95 Ų95139.9 Ų139.962%0.61775%0.751SS**  -143.8143.2118.431.9-15000113.4D29D29-P31 WeakPolarHBondContact O-CD 3.34Å
32L52.7Low43.6Very low123 Ų123141.4 Ų141.464%0.64475%0.745SS**  trans41.5111.4138.5-59.4167.4000117.7W30W30-L32 HydrophobicContact CH2-CD2 3.75Å; W30-L32 HydrophobicContact CH2-CG 4.13Å; W30-L32 HydrophobicContact CZ2-CD2 3.82Å; W30-L32 HydrophobicContact CZ2-CG 3.97Å
33V39.3Very low43.8Very low127 Ų127144.6 Ų144.677%0.7775%0.751SS**  trans171.493.3134.21600000108.1
34W38.6Very low44.4Very low235 Ų235147.8 Ų147.889%0.8975%0.752SS**  115.4158.688.7-90.132.4000111.8
35P43Very low44.8Very low97 Ų97147 Ų14763%0.6374%0.74SS**  trans-92.6157.5-157.937.8-32.9000112.7
36F45.2Very low45.3Very low188 Ų188144.3 Ų144.383%0.82574%0.739SS**  trans66.8100.8175.1-75-94.1000117.6
37S41.7Very low45.3Very low108 Ų108144.6 Ų144.676%0.75573%0.729SS**  trans-120.793.6148.653.20000110S39S37-S39 PolarHBondContact O-N 2.98Å; S37-S39 VanDerWaalsContact O-N 3.1Å
38W42.3Very low45.3Very low237 Ų237144 Ų14490%0.89872%0.724SS**  trans-80.466.7168-154.4-10.4000108
39S44.9Very low45.5Very low100 Ų100149.8 Ų149.870%0.69973%0.725SS**  trans-165.957.7178.4-73.20000112.9S37S37-S39 PolarHBondContact O-N 2.98Å; S37-S39 VanDerWaalsContact O-N 3.1Å
40F39.8Very low45.8Very low136 Ų136152.8 Ų152.860%0.59673%0.726SS**  trans-143.196.5159.9-94.3-83.4000109.3W42F40-W42 AromaticContact CD1-CD2 3.88Å; F40-W42 HydrophobicContact CD1-CD2 3.88Å; F40-W42 AromaticContact CD1-CE3 3.73Å; F40-W42 HydrophobicContact CD1-CE3 3.73Å; F40-W42 HydrophobicContact CD1-CG 4.47Å; F40-W42 HydrophobicContact CD1-CH2 4.36Å; F40-W42 HydrophobicContact CD1-CZ2 4.5Å; F40-W42 HydrophobicContact CD1-CZ3 4Å; F40-W42 HydrophobicContact CE1-CD2 4.28Å; F40-W42 AromaticContact CE1-CE3 3.73Å; F40-W42 HydrophobicContact CE1-CE3 3.73Å; F40-W42 AromaticContact CE1-CH2 3.89Å; F40-W42 HydrophobicContact CE1-CH2 3.89Å; F40-W42 HydrophobicContact CE1-CZ2 4.42Å; F40-W42 AromaticContact CE1-CZ3 3.54Å; F40-W42 HydrophobicContact CE1-CZ3 3.54Å; F40-W42 PolarHBondContact O-N 3.48Å
41P44.3Very low45.1Very low118 Ų118150.3 Ų150.377%0.76672%0.721SS**THydrogen-bonded Turntrans-74.813.8176.423.8-22.5000113.4
42W48.2Very low45Very low201 Ų201151 Ų15176%0.76172%0.72SS**THydrogen-bonded Turntrans-117.3-4-169.9-25.2-33.6000113.3F40F40-W42 AromaticContact CD1-CD2 3.88Å; F40-W42 HydrophobicContact CD1-CD2 3.88Å; F40-W42 AromaticContact CD1-CE3 3.73Å; F40-W42 HydrophobicContact CD1-CE3 3.73Å; F40-W42 HydrophobicContact CD1-CG 4.47Å; F40-W42 HydrophobicContact CD1-CH2 4.36Å; F40-W42 HydrophobicContact CD1-CZ2 4.5Å; F40-W42 HydrophobicContact CD1-CZ3 4Å; F40-W42 HydrophobicContact CE1-CD2 4.28Å; F40-W42 AromaticContact CE1-CE3 3.73Å; F40-W42 HydrophobicContact CE1-CE3 3.73Å; F40-W42 AromaticContact CE1-CH2 3.89Å; F40-W42 HydrophobicContact CE1-CH2 3.89Å; F40-W42 HydrophobicContact CE1-CZ2 4.42Å; F40-W42 AromaticContact CE1-CZ3 3.54Å; F40-W42 HydrophobicContact CE1-CZ3 3.54Å; F40-W42 PolarHBondContact O-N 3.48Å
43M46Very low44.7Very low161 Ų161152.8 Ų152.879%0.79372%0.718SS**  trans-100.491.1161.7-78.3-152.6173.300107.9P45M43-P45 WeakPolarHBondContact O-CD 3.18Å
44R49.7Very low45.1Very low228 Ų228151.3 Ų151.386%0.8671%0.711SS**  trans-67.3107.1155.7-138.5-174.7-177.6-151.2-0.6104.6S46R44-S46 PolarHBondContact O-N 3.18Å
45P44Very low45.7Very low71 Ų71144.9 Ų144.946%0.46169%0.691SS.*  trans-66.7129.6-17820.5-15.7000106.9M43 F47 M48M43-P45 WeakPolarHBondContact O-CD 3.18Å; P45-F47 HydrophobicContact CB-CB 4.14Å; P45-F47 PolarHBondContact O-N 3.25Å; P45-M48 PolarHBondContact O-N 2.83Å
46S52.1Low46.3Very low105 Ų105142.6 Ų142.673%0.73467%0.673SS**THydrogen-bonded Turntrans-51-18.7173.6-460000112.4R44 M48 R49 W50R44-S46 PolarHBondContact O-N 3.18Å; S46-M48 VanDerWaalsContact C-N 3.29Å; S46-M48 PolarHBondContact O-N 3.3Å; S46-R49 WeakPolarHBondContact O-CB 2.99Å; S46-R49 PolarHBondContact O-N 3.45Å; S46-W50 PolarHBondContact O-N 3.13Å
47F45.9Very low47Very low120 Ų120134.1 Ų134.153%0.52664%0.639SS.*Hα-helixtrans-56.7-31.7170.5-168.5-115.7000114.5P45 W50 F51P45-F47 HydrophobicContact CB-CB 4.14Å; P45-F47 PolarHBondContact O-N 3.25Å; F47-W50 HydrophobicContact CD2-CE3 4.31Å; F47-W50 HydrophobicContact CE2-CE3 4.29Å; F47-W50 WeakPolarHBondContact O-CA 3.2Å; F47-W50 WeakPolarHBondContact O-CB 3.12Å; F47-W50 PolarHBondContact O-N 2.76Å; F47-F51 HydrophobicContact CD1-CD2 4.3Å; F47-F51 HydrophobicContact CD1-CE2 4.19Å; F47-F51 HydrophobicContact CE1-CD2 4.03Å; F47-F51 AromaticContact CE1-CE2 3.47Å; F47-F51 HydrophobicContact CE1-CE2 3.47Å; F47-F51 VanDerWaalsContact CE1-CE2 3.47Å; F47-F51 HydrophobicContact CE2-CE2 4.32Å; F47-F51 HydrophobicContact CZ-CD2 4.3Å; F47-F51 AromaticContact CZ-CE2 3.55Å; F47-F51 HydrophobicContact CZ-CE2 3.55Å; F47-F51 HydrophobicContact CZ-CZ 4.49Å; F47-F51 PolarHBondContact O-N 3.21Å
48M48.3Very low48.6Very low129 Ų129134 Ų13464%0.63563%0.626SS**Hα-helixtrans-78.6-20173.3-80.2-170.9170.900113.5P45 S46P45-M48 PolarHBondContact O-N 2.83Å; S46-M48 VanDerWaalsContact C-N 3.29Å; S46-M48 PolarHBondContact O-N 3.3Å
49R49.2Very low50.8Low216 Ų216125.2 Ų125.282%0.81560%0.601SS**Hα-helixtrans-72.8-20166.5-164.8175.7179.5-170.6-3.2111.2S46S46-R49 WeakPolarHBondContact O-CB 2.99Å; S46-R49 PolarHBondContact O-N 3.45Å
50W43.3Very low53.1Low210 Ų210124.9 Ų124.980%0.79559%0.588SS**Hα-helixtrans-80.7-29.2174.1-123.336.4000113.3S46 F47 N52S46-W50 PolarHBondContact O-N 3.13Å; F47-W50 HydrophobicContact CD2-CE3 4.31Å; F47-W50 HydrophobicContact CE2-CE3 4.29Å; F47-W50 WeakPolarHBondContact O-CA 3.2Å; F47-W50 WeakPolarHBondContact O-CB 3.12Å; F47-W50 PolarHBondContact O-N 2.76Å; W50-N52 VanDerWaalsContact C-N 3.28Å; W50-N52 PolarHBondContact O-N 2.91Å
51F40.3Very low55.6Low152 Ų152122.8 Ų122.867%0.66758%0.581SS**THydrogen-bonded Turntrans-76.9-5.4176.7-97-81.1000115.1F47F47-F51 HydrophobicContact CD1-CD2 4.3Å; F47-F51 HydrophobicContact CD1-CE2 4.19Å; F47-F51 HydrophobicContact CE1-CD2 4.03Å; F47-F51 AromaticContact CE1-CE2 3.47Å; F47-F51 HydrophobicContact CE1-CE2 3.47Å; F47-F51 VanDerWaalsContact CE1-CE2 3.47Å; F47-F51 HydrophobicContact CE2-CE2 4.32Å; F47-F51 HydrophobicContact CZ-CD2 4.3Å; F47-F51 AromaticContact CZ-CE2 3.55Å; F47-F51 HydrophobicContact CZ-CE2 3.55Å; F47-F51 HydrophobicContact CZ-CZ 4.49Å; F47-F51 PolarHBondContact O-N 3.21Å
52N45.8Very low57.8Low110 Ų110122.5 Ų122.559%0.58857%0.565SS**THydrogen-bonded Turntrans-122.847.6-178.1-123.937000113W50W50-N52 VanDerWaalsContact C-N 3.28Å; W50-N52 PolarHBondContact O-N 2.91Å
53W47.6Very low59.8Low160 Ų160118 Ų11861%0.60655%0.553SS**  trans-132.4112.9164.6-154.4-75.1000107.4
54P47.2Very low61.8Low96 Ų96114 Ų11462%0.62353%0.533SS*.  cis-126.9117.918.234.4-14.2000113.8N56P54-N56 HydrophobicContact CB-CB 4.04Å; P54-N56 VanDerWaalsContact CB-OD1 3.26Å; P54-N56 WeakPolarHBondContact CB-OD1 3.41Å; P54-N56 PolarHBondContact O-N 3.15Å; P54-N56 VanDerWaalsContact O-N 3.16Å
55E50.5Low63.5Low100 Ų100111.5 Ų111.547%0.46753%0.528SS..  trans-82.560.2149.9-77-173.9136.900108.5H58E55-H58 VanDerWaalsContact CG-NE2 3.34Å; E55-H58 WeakPolarHBondContact CG-NE2 3.34Å; E55-H58 IonicContact OE1-CD2 2.81Å; E55-H58 IonicContact OE1-CE1 3.79Å; E55-H58 IonicContact OE1-NE2 2.75Å; E55-H58 PolarHBondContact OE1-NE2 2.87Å; E55-H58 IonicContact OE2-NE2 3.65Å
56N56.3Low65.5Low49 Ų49113 Ų11326%0.26253%0.532SS..  trans-91.3120.2176.5-75.952.2000108.7P54 H76 R113P54-N56 HydrophobicContact CB-CB 4.04Å; P54-N56 VanDerWaalsContact CB-OD1 3.26Å; P54-N56 WeakPolarHBondContact CB-OD1 3.41Å; P54-N56 PolarHBondContact O-N 3.15Å; P54-N56 VanDerWaalsContact O-N 3.16Å; N56-H76 PolarHBondContact ND2-CD2 2.9Å; N56-R113 PolarHBondContact O-NH2 2.78Å
57G60.5Low67.3Low10 Ų10113.8 Ų113.810%0.10352%0.519CS..  trans75.957.2-177.200000112.3S59 R113G57-S59 PolarHBondContact O-N 2.73Å; G57-S59 VanDerWaalsContact O-N 3.09Å; G57-R113 VanDerWaalsContact C-NH2 3.34Å; G57-R113 VanDerWaalsContact CA-NH2 3.33Å; G57-R113 PolarHBondContact O-NH1 2.85Å; G57-R113 PolarHBondContact O-NH2 3.43Å
58H75.2Confident69.6Low105 Ų105108.2 Ų108.249%0.48650%0.495SS..  trans-60.9117.6152.2-86.5-62.7000107.3E55 D73E55-H58 VanDerWaalsContact CG-NE2 3.34Å; E55-H58 WeakPolarHBondContact CG-NE2 3.34Å; E55-H58 IonicContact OE1-CD2 2.81Å; E55-H58 IonicContact OE1-CE1 3.79Å; E55-H58 IonicContact OE1-NE2 2.75Å; E55-H58 PolarHBondContact OE1-NE2 2.87Å; E55-H58 IonicContact OE2-NE2 3.65Å; H58-D73 HydrophobicContact CB-CB 4.48Å; H58-D73 PolarHBondContact O-N 2.82Å
59S87.8Confident71.8Confident52 Ų52102.2 Ų102.236%0.36447%0.466SS..EExtended strand (participates in β ladder)trans-119.4126.2172.3650000110.7G57 Y71 R113 Y115G57-S59 PolarHBondContact O-N 2.73Å; G57-S59 VanDerWaalsContact O-N 3.09Å; S59-Y71 CarbonylContact C-O 3.59Å; S59-Y71 WeakPolarHBondContact CA-O 3.29Å; S59-R113 PolarHBondContact OG-NH1 2.84Å; S59-Y115 WeakPolarHBondContact CB-OH 3.14Å; S59-Y115 PolarHBondContact OG-OH 2.86Å
60E92.1Very high74Confident94 Ų9492 Ų9244%0.43943%0.427SS..EExtended strand (participates in β ladder)trans-112.7133.3174.7-167.7-177.8168.200108.8R62 I70 Y71E60-R62 VanDerWaalsContact CD-NH2 3.32Å; E60-R62 HydrophobicContact CG-CG 4.44Å; E60-R62 IonicContact OE1-CZ 3.18Å; E60-R62 IonicContact OE1-NE 2.73Å; E60-R62 PolarHBondContact OE1-NE 3.42Å; E60-R62 IonicContact OE1-NH2 2.78Å; E60-R62 PolarHBondContact OE1-NH2 3.36Å; E60-R62 IonicContact OE2-CZ 3.9Å; E60-R62 IonicContact OE2-NE 3.92Å; E60-R62 IonicContact OE2-NH2 3.15Å; E60-R62 PolarHBondContact OE2-NH2 3.35Å; E60-R62 VanDerWaalsContact OE2-NH2 3.15Å; E60-I70 WeakPolarHBondContact O-CA 3.08Å; E60-Y71 HydrophobicContact CB-CD2 4.49Å; E60-Y71 PolarHBondContact N-O 2.77Å; E60-Y71 PolarHBondContact O-N 2.94Å
61M92.3Very high76.4Confident91 Ų9185.3 Ų85.345%0.44840%0.402SS..EExtended strand (participates in β ladder)trans-117.7123.5179175.6177.7158.800108.2M63 F68M61-M63 HydrophobicContact CE-CE 3.56Å; M61-F68 HydrophobicContact CE-CD2 4.27Å; M61-F68 HydrophobicContact CE-CE1 4.49Å; M61-F68 HydrophobicContact CE-CE2 3.09Å; M61-F68 HydrophobicContact CE-CZ 3.25Å; M61-F68 HydrophobicContact CG-CD2 4.49Å; M61-F68 HydrophobicContact CG-CE2 3.26Å; M61-F68 HydrophobicContact CG-CZ 3.44Å; M61-F68 VanDerWaalsContact CG-CZ 3.44Å; M61-F68 HydrophobicContact SD-CE2 3.71Å; M61-F68 HydrophobicContact SD-CZ 3.53Å; M61-F68 VanDerWaalsContact SD-CZ 3.53Å
62R92.4Very high79.1Confident112 Ų11278.1 Ų78.142%0.42337%0.37SS..EExtended strand (participates in β ladder)trans-118.4128.9179.1-63.8-167.6-178.3163.95.5110.5E60 F68 V69 Y71E60-R62 VanDerWaalsContact CD-NH2 3.32Å; E60-R62 HydrophobicContact CG-CG 4.44Å; E60-R62 IonicContact OE1-CZ 3.18Å; E60-R62 IonicContact OE1-NE 2.73Å; E60-R62 PolarHBondContact OE1-NE 3.42Å; E60-R62 IonicContact OE1-NH2 2.78Å; E60-R62 PolarHBondContact OE1-NH2 3.36Å; E60-R62 IonicContact OE2-CZ 3.9Å; E60-R62 IonicContact OE2-NE 3.92Å; E60-R62 IonicContact OE2-NH2 3.15Å; E60-R62 PolarHBondContact OE2-NH2 3.35Å; E60-R62 VanDerWaalsContact OE2-NH2 3.15Å; R62-F68 WeakPolarHBondContact O-CD2 3.22Å; R62-V69 PolarHBondContact N-O 2.81Å; R62-V69 PolarHBondContact O-N 3.16Å; R62-Y71 HydrophobicContact CG-CE2 4.36Å
63M89.6Confident81.3Confident106 Ų10674.3 Ų74.352%0.52235%0.35SS..EExtended strand (participates in β ladder)trans-97.7107.9167-67.5-129.3179.200108.3M61 F68 P118M61-M63 HydrophobicContact CE-CE 3.56Å; M63-F68 HydrophobicContact CE-CD2 4.11Å; M63-F68 HydrophobicContact CE-CE2 4.04Å; M63-F68 HydrophobicContact CG-CD2 3.93Å; M63-F68 HydrophobicContact CG-CE2 4.18Å; M63-F68 HydrophobicContact SD-CD2 4.37Å; M63-P118 HydrophobicContact CE-CB 3.97Å; M63-P118 HydrophobicContact CE-CG 4.23Å; M63-P118 HydrophobicContact SD-CB 4.39Å
64E88.6Confident83.5Confident78 Ų7866.8 Ų66.836%0.36432%0.322SS..  trans-95.2175.1171.8-59-179.9-17800109.8R67E64-R67 CarbonylContact C-O 3.5Å; E64-R67 WeakPolarHBondContact CA-O 3.49Å; E64-R67 HydrophobicContact CB-CG 3.89Å; E64-R67 WeakPolarHBondContact CB-O 3.37Å; E64-R67 HydrophobicContact CG-CG 4.3Å; E64-R67 PolarHBondContact N-O 3.01Å; E64-R67 WeakPolarHBondContact OE2-CD 3.35Å; E64-R67 WeakPolarHBondContact OE2-CG 3.36Å; E64-R67 IonicContact OE2-NE 3.87Å
65K84.2Confident85.6Confident176 Ų17667.2 Ų67.277%0.76531%0.314SS*.SBendtrans-61.5-47.1-178.8-67.3-175.8178-175.90111.9
66D86.8Confident87.4Confident101 Ų10164.7 Ų64.754%0.5430%0.302SS..SBendtrans-109.3-6.9-171.3-53.2-37000113.2R142D66-R142 PolarHBondContact O-N 3.35Å
67R90.2Very high89Confident123 Ų12363.5 Ų63.546%0.46429%0.294SS..EExtended strand (participates in β ladder)trans-150.1158.1-175.766.1-178.972.9-1742112.5E64 V69 T139 A140E64-R67 CarbonylContact C-O 3.5Å; E64-R67 WeakPolarHBondContact CA-O 3.49Å; E64-R67 HydrophobicContact CB-CG 3.89Å; E64-R67 WeakPolarHBondContact CB-O 3.37Å; E64-R67 HydrophobicContact CG-CG 4.3Å; E64-R67 PolarHBondContact N-O 3.01Å; E64-R67 WeakPolarHBondContact OE2-CD 3.35Å; E64-R67 WeakPolarHBondContact OE2-CG 3.36Å; E64-R67 IonicContact OE2-NE 3.87Å; R67-V69 HydrophobicContact CG-CG2 3.82Å; R67-T139 HydrophobicContact CB-CG2 4.26Å; R67-A140 CarbonylContact C-O 3.57Å; R67-A140 WeakPolarHBondContact CA-O 3.26Å
68F92.5Very high90.4Very high2 Ų264.5 Ų64.51%0.00930%0.3CS..EExtended strand (participates in β ladder)trans-115.3124.2173.5174.4-113.2000108.1M61 R62 M63 I70 L117 P118 T139 A140M61-F68 HydrophobicContact CE-CD2 4.27Å; M61-F68 HydrophobicContact CE-CE1 4.49Å; M61-F68 HydrophobicContact CE-CE2 3.09Å; M61-F68 HydrophobicContact CE-CZ 3.25Å; M61-F68 HydrophobicContact CG-CD2 4.49Å; M61-F68 HydrophobicContact CG-CE2 3.26Å; M61-F68 HydrophobicContact CG-CZ 3.44Å; M61-F68 VanDerWaalsContact CG-CZ 3.44Å; M61-F68 HydrophobicContact SD-CE2 3.71Å; M61-F68 HydrophobicContact SD-CZ 3.53Å; M61-F68 VanDerWaalsContact SD-CZ 3.53Å; R62-F68 WeakPolarHBondContact O-CD2 3.22Å; M63-F68 HydrophobicContact CE-CD2 4.11Å; M63-F68 HydrophobicContact CE-CE2 4.04Å; M63-F68 HydrophobicContact CG-CD2 3.93Å; M63-F68 HydrophobicContact CG-CE2 4.18Å; M63-F68 HydrophobicContact SD-CD2 4.37Å; F68-I70 HydrophobicContact CE1-CD1 3.64Å; F68-I70 HydrophobicContact CE1-CG1 3.75Å; F68-I70 HydrophobicContact CZ-CD1 4.01Å; F68-I70 HydrophobicContact CZ-CG1 3.74Å; F68-L117 HydrophobicContact CD1-CD2 4.25Å; F68-L117 HydrophobicContact CE1-CD2 4.38Å; F68-P118 HydrophobicContact CB-CG 3.95Å; F68-P118 HydrophobicContact CD1-CG 4.22Å; F68-P118 HydrophobicContact CD2-CG 4.23Å; F68-P118 HydrophobicContact CG-CG 3.85Å; F68-T139 WeakPolarHBondContact O-CA 3.32Å; F68-A140 HydrophobicContact CB-CB 4.19Å; F68-A140 HydrophobicContact CD1-CB 4.13Å; F68-A140 PolarHBondContact N-O 2.98Å; F68-A140 PolarHBondContact O-N 2.77Å
69V94.7Very high91.2Very high4 Ų463.5 Ų63.52%0.02430%0.303CS..EExtended strand (participates in β ladder)trans-125.9132.8-172.5-167.90000110.4R62 R67 Y71 T137 I138 T139R62-V69 PolarHBondContact N-O 2.81Å; R62-V69 PolarHBondContact O-N 3.16Å; R67-V69 HydrophobicContact CG-CG2 3.82Å; V69-Y71 HydrophobicContact CB-CE2 4.22Å; V69-Y71 HydrophobicContact CG1-CD2 4.24Å; V69-Y71 HydrophobicContact CG1-CE1 4.08Å; V69-Y71 HydrophobicContact CG1-CE2 3.61Å; V69-T137 HydrophobicContact CG1-CG2 3.79Å; V69-I138 CarbonylContact C-O 3.54Å; V69-I138 WeakPolarHBondContact CA-O 3.45Å; V69-T139 HydrophobicContact CG2-CG2 4.42Å
70I95.4Very high91.5Very high1 Ų168.6 Ų68.61%0.00533%0.326CS..EExtended strand (participates in β ladder)trans-116.9126.9172.8-58.4160.5000107.8E60 F68 I91 Y115 T137 I138E60-I70 WeakPolarHBondContact O-CA 3.08Å; F68-I70 HydrophobicContact CE1-CD1 3.64Å; F68-I70 HydrophobicContact CE1-CG1 3.75Å; F68-I70 HydrophobicContact CZ-CD1 4.01Å; F68-I70 HydrophobicContact CZ-CG1 3.74Å; I70-I91 HydrophobicContact CD1-CD1 3.67Å; I70-Y115 HydrophobicContact CD1-CD1 4.04Å; I70-Y115 HydrophobicContact CD1-CD2 3.95Å; I70-Y115 HydrophobicContact CD1-CG 3.62Å; I70-Y115 HydrophobicContact CG1-CD1 4.39Å; I70-Y115 HydrophobicContact CG1-CG 4.44Å; I70-Y115 HydrophobicContact CG2-CD1 4.31Å; I70-Y115 HydrophobicContact CG2-CD2 4.44Å; I70-Y115 HydrophobicContact CG2-CE1 3.94Å; I70-Y115 HydrophobicContact CG2-CE2 4.07Å; I70-T137 CarbonylContact O-C 3.54Å; I70-T137 VanDerWaalsContact O-CA 3.29Å; I70-T137 WeakPolarHBondContact O-CA 3.28Å; I70-I138 HydrophobicContact CB-CB 4.28Å; I70-I138 PolarHBondContact N-O 2.92Å; I70-I138 PolarHBondContact O-N 3.08Å
71Y95.3Very high91.6Very high70 Ų7065.3 Ų65.328%0.27531%0.311SS..EExtended strand (participates in β ladder)trans-106.3131.7169.2-58.8-82000108.5S59 E60 R62 V69 V135 L136 T137S59-Y71 CarbonylContact C-O 3.59Å; S59-Y71 WeakPolarHBondContact CA-O 3.29Å; E60-Y71 HydrophobicContact CB-CD2 4.49Å; E60-Y71 PolarHBondContact N-O 2.77Å; E60-Y71 PolarHBondContact O-N 2.94Å; R62-Y71 HydrophobicContact CG-CE2 4.36Å; V69-Y71 HydrophobicContact CB-CE2 4.22Å; V69-Y71 HydrophobicContact CG1-CD2 4.24Å; V69-Y71 HydrophobicContact CG1-CE1 4.08Å; V69-Y71 HydrophobicContact CG1-CE2 3.61Å; Y71-V135 HydrophobicContact CD1-CG1 4.44Å; Y71-L136 CarbonylContact C-O 3.55Å; Y71-T137 HydrophobicContact CD1-CG2 4.03Å; Y71-T137 HydrophobicContact CE1-CG2 3.8Å
72L95.2Very high91.7Very high0 Ų062.5 Ų62.50%030%0.297CS..EExtended strand (participates in β ladder)trans-137.1120.8-179.5-179.667.6000110.2V74 V93 F111 V135 L136L72-V74 HydrophobicContact CD2-CG1 3.81Å; L72-V74 HydrophobicContact CG-CG1 3.76Å; L72-V74 PolarHBondContact O-N 2.86Å; L72-V93 HydrophobicContact CD2-CB 4.24Å; L72-V93 HydrophobicContact CD2-CG1 3.77Å; L72-V93 HydrophobicContact CD2-CG2 4.45Å; L72-F111 HydrophobicContact CD2-CE2 3.79Å; L72-F111 HydrophobicContact CD2-CZ 3.7Å; L72-F111 HydrophobicContact CG-CZ 4.38Å; L72-V135 WeakPolarHBondContact O-CA 3.45Å; L72-L136 HydrophobicContact CB-CB 4.34Å; L72-L136 HydrophobicContact CD2-CD2 4.3Å; L72-L136 PolarHBondContact N-O 3.39Å; L72-L136 PolarHBondContact O-N 2.87Å
73D93.1Very high91.9Very high30 Ų3059.3 Ų59.316%0.1629%0.292CS..EExtended strand (participates in β ladder)trans-73113.9172.1-174.9-2.1000110.2H58 K75H58-D73 HydrophobicContact CB-CB 4.48Å; H58-D73 PolarHBondContact O-N 2.82Å; D73-K75 WeakPolarHBondContact OD1-CB 3.44Å; D73-K75 WeakPolarHBondContact OD1-CD 3.49Å; D73-K75 VanDerWaalsContact OD1-CG 3.27Å; D73-K75 WeakPolarHBondContact OD1-CG 3.5Å; D73-K75 PolarHBondContact OD1-N 2.81Å; D73-K75 VanDerWaalsContact OD1-N 3.07Å; D73-K75 WeakPolarHBondContact OD2-CE 3.16Å; D73-K75 IonicContact OD2-NZ 2.75Å; D73-K75 PolarHBondContact OD2-NZ 2.81Å
74V93.4Very high92.2Very high2 Ų256.5 Ų56.51%0.01228%0.281CS..  trans-124.121.4179.6-60.20000112.2L72 H76 F77 L82 F111 L130 G134 L136L72-V74 HydrophobicContact CD2-CG1 3.81Å; L72-V74 HydrophobicContact CG-CG1 3.76Å; L72-V74 PolarHBondContact O-N 2.86Å; V74-H76 PolarHBondContact O-N 2.82Å; V74-F77 HydrophobicContact CB-CD2 4.38Å; V74-F77 PolarHBondContact O-N 2.83Å; V74-L82 HydrophobicContact CB-CD1 4.27Å; V74-L82 HydrophobicContact CB-CD2 4.2Å; V74-L82 HydrophobicContact CG1-CD2 4.21Å; V74-L82 HydrophobicContact CG2-CD1 3.82Å; V74-F111 HydrophobicContact CG1-CE1 4.16Å; V74-F111 HydrophobicContact CG1-CZ 3.79Å; V74-L130 HydrophobicContact CG2-CD1 3.46Å; V74-L130 VanDerWaalsContact CG2-CD1 3.46Å; V74-G134 CarbonylContact C-O 3.59Å; V74-G134 WeakPolarHBondContact CA-O 3.36Å; V74-G134 VanDerWaalsContact CG2-O 3.26Å; V74-G134 WeakPolarHBondContact CG2-O 3.47Å; V74-G134 PolarHBondContact N-O 3.17Å; V74-L136 HydrophobicContact CG1-CB 4.19Å; V74-L136 HydrophobicContact CG2-CB 3.91Å
75K90.6Very high92.5Very high105 Ų10556.9 Ų56.946%0.45729%0.285SS..THydrogen-bonded Turntrans-55.6-17.6-175.671.9-168.2172.8-137.30116.1D73 G134D73-K75 WeakPolarHBondContact OD1-CB 3.44Å; D73-K75 WeakPolarHBondContact OD1-CD 3.49Å; D73-K75 VanDerWaalsContact OD1-CG 3.27Å; D73-K75 WeakPolarHBondContact OD1-CG 3.5Å; D73-K75 PolarHBondContact OD1-N 2.81Å; D73-K75 VanDerWaalsContact OD1-N 3.07Å; D73-K75 WeakPolarHBondContact OD2-CE 3.16Å; D73-K75 IonicContact OD2-NZ 2.75Å; D73-K75 PolarHBondContact OD2-NZ 2.81Å; K75-G134 PolarHBondContact N-O 2.86Å; K75-G134 VanDerWaalsContact N-O 3.14Å
76H88.4Confident92.9Very high48 Ų4852.3 Ų52.322%0.22227%0.269CS..THydrogen-bonded Turntrans-91.32.3178.6-61.6-65.5000113.7N56 V74N56-H76 PolarHBondContact ND2-CD2 2.9Å; V74-H76 PolarHBondContact O-N 2.82Å
77F90.9Very high93.1Very high23 Ų2349.7 Ų49.710%0.10126%0.259CS..SBendtrans-123.1142.4-177.7-60.6-88.9000109.9V74 L82 A95 H97 R109 F111V74-F77 HydrophobicContact CB-CD2 4.38Å; V74-F77 PolarHBondContact O-N 2.83Å; F77-L82 HydrophobicContact CB-CD2 3.77Å; F77-L82 HydrophobicContact CB-CG 4.28Å; F77-L82 HydrophobicContact CG-CD2 4.22Å; F77-A95 HydrophobicContact CD1-CB 3.7Å; F77-A95 HydrophobicContact CD2-CB 4.15Å; F77-A95 HydrophobicContact CE1-CB 3.72Å; F77-A95 HydrophobicContact CE2-CB 4.19Å; F77-A95 HydrophobicContact CG-CB 3.92Å; F77-A95 HydrophobicContact CZ-CB 3.98Å; F77-H97 HydrophobicContact CD1-CB 3.85Å; F77-H97 HydrophobicContact CE1-CB 3.81Å; F77-R109 HydrophobicContact CE1-CB 4.05Å; F77-R109 WeakPolarHBondContact CE1-O 3.35Å; F77-R109 HydrophobicContact CZ-CB 3.85Å; F77-F111 HydrophobicContact CD2-CD1 4.41Å; F77-F111 AromaticContact CD2-CE1 3.87Å; F77-F111 HydrophobicContact CD2-CE1 3.87Å; F77-F111 AromaticContact CE2-CD1 3.52Å; F77-F111 HydrophobicContact CE2-CD1 3.52Å; F77-F111 AromaticContact CE2-CE1 3.4Å; F77-F111 HydrophobicContact CE2-CE1 3.4Å; F77-F111 AromaticContact CZ-CD1 3.59Å; F77-F111 HydrophobicContact CZ-CD1 3.59Å; F77-F111 AromaticContact CZ-CE1 3.88Å; F77-F111 HydrophobicContact CZ-CE1 3.88Å
78S89.8Confident92.8Very high31 Ų3151.8 Ų51.822%0.21728%0.279CS..  trans-79.6155.8169.5570000110.8D80 E81S78-D80 PolarHBondContact O-N 2.89Å; S78-D80 VanDerWaalsContact O-N 3.17Å; S78-E81 PolarHBondContact N-OE2 3.06Å; S78-E81 WeakPolarHBondContact O-CB 3.26Å; S78-E81 PolarHBondContact O-N 3.1Å; S78-E81 VanDerWaalsContact OG-CG 3.22Å; S78-E81 WeakPolarHBondContact OG-CG 3.43Å; S78-E81 PolarHBondContact OG-OE2 3.45Å
79P92.7Very high92.6Very high85 Ų8556.4 Ų56.455%0.55230%0.3SS*.G310 helixtrans-55.5-34.5179.7-2331.6000113.4E81 L82 L130P79-E81 PolarHBondContact O-N 3.23Å; P79-L82 PolarHBondContact O-N 3.21Å; P79-L130 HydrophobicContact CB-CD2 3.94Å; P79-L130 HydrophobicContact CG-CD2 3.73Å
80D93.6Very high92.6Very high159 Ų15959.2 Ų59.285%0.8531%0.312SS*.G310 helixtrans-71.5-17.4-179.3-56.1-34.8000113.3S78S78-D80 PolarHBondContact O-N 2.89Å; S78-D80 VanDerWaalsContact O-N 3.17Å
81E93.4Very high92.5Very high25 Ų2559.1 Ų59.112%0.11731%0.312CS..G310 helixtrans-91.2-4.3178.1-70.9170.7151.600112.9S78 P79 A95 K96 H97 R100S78-E81 PolarHBondContact N-OE2 3.06Å; S78-E81 WeakPolarHBondContact O-CB 3.26Å; S78-E81 PolarHBondContact O-N 3.1Å; S78-E81 VanDerWaalsContact OG-CG 3.22Å; S78-E81 WeakPolarHBondContact OG-CG 3.43Å; S78-E81 PolarHBondContact OG-OE2 3.45Å; P79-E81 PolarHBondContact O-N 3.23Å; E81-A95 WeakPolarHBondContact O-CA 3.27Å; E81-K96 VanDerWaalsContact CB-O 3.28Å; E81-K96 WeakPolarHBondContact CB-O 3.47Å; E81-K96 VanDerWaalsContact CG-O 3.3Å; E81-K96 WeakPolarHBondContact CG-O 3.37Å; E81-K96 PolarHBondContact O-N 2.67Å; E81-K96 VanDerWaalsContact O-N 3.08Å; E81-H97 IonicContact OE1-CE1 2.76Å; E81-H97 IonicContact OE1-CG 3.77Å; E81-H97 IonicContact OE1-ND1 2.84Å; E81-H97 PolarHBondContact OE1-ND1 3.22Å; E81-H97 IonicContact OE2-ND1 3.31Å; E81-H97 PolarHBondContact OE2-ND1 3.14Å; E81-H97 VanDerWaalsContact OE2-ND1 3.15Å; E81-R100 IonicContact OE1-CZ 3.66Å; E81-R100 IonicContact OE1-NE 2.88Å; E81-R100 IonicContact OE1-NH1 3.94Å; E81-R100 PolarHBondContact OE1-NH1 3.37Å; E81-R100 IonicContact OE1-NH2 2.82Å; E81-R100 PolarHBondContact OE1-NH2 3.17Å; E81-R100 IonicContact OE2-NH1 3.57Å; E81-R100 PolarHBondContact OE2-NH1 2.99Å
82L95.4Very high92.5Very high32 Ų3256.9 Ų56.917%0.16831%0.306CS..EExtended strand (participates in β ladder)trans-101.2133.6-177-60.6175.7000110.5V74 F77 P79 A95 L130V74-L82 HydrophobicContact CB-CD1 4.27Å; V74-L82 HydrophobicContact CB-CD2 4.2Å; V74-L82 HydrophobicContact CG1-CD2 4.21Å; V74-L82 HydrophobicContact CG2-CD1 3.82Å; F77-L82 HydrophobicContact CB-CD2 3.77Å; F77-L82 HydrophobicContact CB-CG 4.28Å; F77-L82 HydrophobicContact CG-CD2 4.22Å; P79-L82 PolarHBondContact O-N 3.21Å; L82-A95 HydrophobicContact CD2-CB 3.43Å; L82-A95 VanDerWaalsContact CD2-CB 3.43Å; L82-L130 HydrophobicContact CD1-CD1 4.41Å; L82-L130 HydrophobicContact CD1-CD2 4.01Å
83S96.3Very high92.6Very high45 Ų4556.9 Ų56.932%0.31531%0.306SS..EExtended strand (participates in β ladder)trans-129.3128.9172.6-1770000109.5N85 V93 H94S83-N85 PolarHBondContact OG-ND2 2.89Å; S83-V93 CarbonylContact O-C 3.52Å; S83-V93 WeakPolarHBondContact O-CA 3.45Å; S83-H94 PolarHBondContact N-O 2.75Å; S83-H94 PolarHBondContact O-N 2.81Å
84V95.9Very high92.7Very high47 Ų4758 Ų5829%0.28531%0.31SS..EExtended strand (participates in β ladder)trans-116.6115.5175-177.20000107.6I91 V93 L136 I138V84-I91 HydrophobicContact CG1-CG2 3.93Å; V84-V93 HydrophobicContact CG2-CG1 4.42Å; V84-V93 HydrophobicContact CG2-CG2 4.39Å; V84-L136 HydrophobicContact CG2-CD2 4Å; V84-I138 HydrophobicContact CG1-CD1 3.98Å; V84-I138 HydrophobicContact CG2-CD1 4.45Å
85N94.8Very high92.8Very high85 Ų8558 Ų5846%0.45531%0.31SS..EExtended strand (participates in β ladder)trans-116.9139.8-178.5-66.9-47.7000110.6S83 T92S83-N85 PolarHBondContact OG-ND2 2.89Å; N85-T92 PolarHBondContact N-O 2.84Å; N85-T92 PolarHBondContact O-N 3.07Å
86L93Very high92.9Very high81 Ų8157.1 Ų57.142%0.42431%0.306SS..EExtended strand (participates in β ladder)trans-107.7118.9173.4-64172.3000108.1I91 I126L86-I91 HydrophobicContact CD2-CB 4.14Å; L86-I91 HydrophobicContact CD2-CG1 3.53Å; L86-I91 HydrophobicContact CD2-CG2 4.21Å; L86-I126 HydrophobicContact CD1-CB 4.04Å; L86-I126 HydrophobicContact CD1-CD1 3.94Å; L86-I126 HydrophobicContact CD1-CG1 4.46Å; L86-I126 HydrophobicContact CD1-CG2 4.37Å; L86-I126 HydrophobicContact CD2-CD1 3.66Å; L86-I126 HydrophobicContact CD2-CG2 4.4Å; L86-I126 HydrophobicContact CG-CD1 4.47Å
87S90.5Very high93Very high46 Ų4655.3 Ų55.332%0.32230%0.297SS..EExtended strand (participates in β ladder)trans-135.5120.1178.460.60000109.2E89 F90S87-E89 PolarHBondContact O-N 2.79Å; S87-E89 VanDerWaalsContact O-N 3.14Å; S87-F90 PolarHBondContact N-O 3.14Å; S87-F90 PolarHBondContact O-N 3.31Å
88D84.1Confident93Very high166 Ų16660 Ų6089%0.88832%0.32SS*.THydrogen-bonded Turntrans54.4-111.1-177.8-49.6-44.6000112.2
89E88.9Confident92.8Very high99 Ų9964.2 Ų64.246%0.46334%0.34SS..THydrogen-bonded Turntrans-104.717.2177.2-59.1-169.8158.600112.8S87 R116 L117S87-E89 PolarHBondContact O-N 2.79Å; S87-E89 VanDerWaalsContact O-N 3.14Å; E89-R116 IonicContact OE2-CZ 3.84Å; E89-R116 IonicContact OE2-NE 3.62Å; E89-R116 IonicContact OE2-NH2 3.14Å; E89-R116 PolarHBondContact OE2-NH2 2.9Å; E89-R116 VanDerWaalsContact OE2-NH2 3.14Å; E89-L117 WeakPolarHBondContact O-CB 3.5Å; E89-L117 PolarHBondContact O-N 3.14Å
90F92.9Very high92.4Very high63 Ų6365.7 Ų65.728%0.27633%0.334SS..EExtended strand (participates in β ladder)trans-128135.3-173.5-63.1-88.2000113.3S87 K114 Y115 R116S87-F90 PolarHBondContact N-O 3.14Å; S87-F90 PolarHBondContact O-N 3.31Å; F90-K114 HydrophobicContact CB-CD 4.26Å; F90-K114 HydrophobicContact CB-CG 3.9Å; F90-K114 HydrophobicContact CD1-CD 4.06Å; F90-K114 HydrophobicContact CD1-CG 3.74Å; F90-K114 HydrophobicContact CG-CD 4.19Å; F90-K114 HydrophobicContact CG-CG 4.07Å; F90-Y115 CarbonylContact C-O 3.58Å; F90-Y115 VanDerWaalsContact CA-O 3.24Å; F90-Y115 WeakPolarHBondContact CA-O 3.26Å; F90-R116 HydrophobicContact CD1-CB 3.97Å; F90-R116 HydrophobicContact CD1-CG 4.25Å; F90-R116 HydrophobicContact CE1-CB 3.75Å; F90-R116 HydrophobicContact CE1-CG 3.85Å; F90-R116 HydrophobicContact CZ-CG 4.28Å
91I94.8Very high91.8Very high0 Ų065.5 Ų65.50%033%0.329CS..EExtended strand (participates in β ladder)trans-90.9120.4164.9-52.7167.1000107.3I70 V84 L86 V93 K114 Y115 L117 I138I70-I91 HydrophobicContact CD1-CD1 3.67Å; V84-I91 HydrophobicContact CG1-CG2 3.93Å; L86-I91 HydrophobicContact CD2-CB 4.14Å; L86-I91 HydrophobicContact CD2-CG1 3.53Å; L86-I91 HydrophobicContact CD2-CG2 4.21Å; I91-V93 HydrophobicContact CG2-CG2 4.32Å; I91-K114 CarbonylContact O-C 3.59Å; I91-K114 WeakPolarHBondContact O-CA 3.24Å; I91-Y115 PolarHBondContact N-O 2.78Å; I91-Y115 PolarHBondContact O-N 2.97Å; I91-L117 HydrophobicContact CD1-CD2 3.44Å; I91-L117 VanDerWaalsContact CD1-CD2 3.44Å; I91-L117 HydrophobicContact CD1-CG 4.21Å; I91-L117 HydrophobicContact CG1-CD1 4.27Å; I91-L117 HydrophobicContact CG1-CD2 3.72Å; I91-L117 HydrophobicContact CG1-CG 3.94Å; I91-I138 HydrophobicContact CD1-CG2 3.95Å; I91-I138 HydrophobicContact CG2-CD1 3.9Å
92T95.6Very high90.9Very high23 Ų2367.5 Ų67.514%0.14134%0.34CS..EExtended strand (participates in β ladder)trans-109.3118174.2-54.60000109.1N85 L112 R113N85-T92 PolarHBondContact N-O 2.84Å; N85-T92 PolarHBondContact O-N 3.07Å; T92-L112 HydrophobicContact CG2-CD1 4.37Å; T92-L112 HydrophobicContact CG2-CD2 3.68Å; T92-L112 HydrophobicContact CG2-CG 3.93Å; T92-R113 CarbonylContact C-O 3.38Å; T92-R113 WeakPolarHBondContact CA-O 3.36Å
93V96.1Very high90.1Very high0 Ų073.8 Ų73.80%037%0.374CS..EExtended strand (participates in β ladder)trans-102.7119.3172.9-174.10000108.1L72 S83 V84 I91 F111 L112 R113 Y115 L136 I138L72-V93 HydrophobicContact CD2-CB 4.24Å; L72-V93 HydrophobicContact CD2-CG1 3.77Å; L72-V93 HydrophobicContact CD2-CG2 4.45Å; S83-V93 CarbonylContact O-C 3.52Å; S83-V93 WeakPolarHBondContact O-CA 3.45Å; V84-V93 HydrophobicContact CG2-CG1 4.42Å; V84-V93 HydrophobicContact CG2-CG2 4.39Å; I91-V93 HydrophobicContact CG2-CG2 4.32Å; V93-F111 HydrophobicContact CB-CE2 4.47Å; V93-F111 HydrophobicContact CG1-CE2 4.01Å; V93-F111 HydrophobicContact CG1-CZ 4.36Å; V93-L112 CarbonylContact O-C 3.54Å; V93-L112 WeakPolarHBondContact O-CA 3.43Å; V93-R113 PolarHBondContact N-O 2.78Å; V93-R113 PolarHBondContact O-N 3.17Å; V93-Y115 HydrophobicContact CG2-CD2 4.5Å; V93-Y115 HydrophobicContact CG2-CE2 4.26Å; V93-L136 HydrophobicContact CG1-CD2 3.86Å; V93-L136 HydrophobicContact CG2-CD2 4.47Å; V93-I138 HydrophobicContact CG2-CD1 3.59Å
94H95.9Very high89.3Confident54 Ų5480.7 Ų80.725%0.2540%0.401CS..EExtended strand (participates in β ladder)trans-113130.8174.7-177.6-132.6000108.7S83 E110 F111S83-H94 PolarHBondContact N-O 2.75Å; S83-H94 PolarHBondContact O-N 2.81Å; H94-E110 IonicContact CD2-OE1 3.78Å; H94-E110 IonicContact CE1-OE1 2.98Å; H94-E110 IonicContact NE2-OE1 3.56Å; H94-E110 PolarHBondContact NE2-OE1 2.64Å; H94-F111 PolarHBondContact CD2-O 2.78Å
95A94.4Very high88.8Confident0 Ų080 Ų800%040%0.403CS..EExtended strand (participates in β ladder)trans-132.7116.7177.600000107.8F77 E81 L82 E110 F111F77-A95 HydrophobicContact CD1-CB 3.7Å; F77-A95 HydrophobicContact CD2-CB 4.15Å; F77-A95 HydrophobicContact CE1-CB 3.72Å; F77-A95 HydrophobicContact CE2-CB 4.19Å; F77-A95 HydrophobicContact CG-CB 3.92Å; F77-A95 HydrophobicContact CZ-CB 3.98Å; E81-A95 WeakPolarHBondContact O-CA 3.27Å; L82-A95 HydrophobicContact CD2-CB 3.43Å; L82-A95 VanDerWaalsContact CD2-CB 3.43Å; A95-E110 CarbonylContact O-C 3.55Å; A95-E110 VanDerWaalsContact O-CA 3.26Å; A95-E110 WeakPolarHBondContact O-CA 3.38Å; A95-F111 HydrophobicContact CB-CD1 3.64Å; A95-F111 HydrophobicContact CB-CD2 4.28Å; A95-F111 HydrophobicContact CB-CE1 3.23Å; A95-F111 HydrophobicContact CB-CE2 3.91Å; A95-F111 HydrophobicContact CB-CG 4.14Å; A95-F111 HydrophobicContact CB-CZ 3.36Å; A95-F111 PolarHBondContact N-O 2.98Å; A95-F111 PolarHBondContact O-N 2.82Å
96K94.1Very high88.4Confident87 Ų8783 Ų8338%0.37841%0.412SS..EExtended strand (participates in β ladder)trans-128.5112.9-176.4-172.8-170.3177.8-144.30110.1E81 E98 E110E81-K96 VanDerWaalsContact CB-O 3.28Å; E81-K96 WeakPolarHBondContact CB-O 3.47Å; E81-K96 VanDerWaalsContact CG-O 3.3Å; E81-K96 WeakPolarHBondContact CG-O 3.37Å; E81-K96 PolarHBondContact O-N 2.67Å; E81-K96 VanDerWaalsContact O-N 3.08Å; K96-E98 IonicContact NZ-OE1 3.62Å; K96-E98 PolarHBondContact NZ-OE1 2.82Å; K96-E110 HydrophobicContact CB-CG 4.25Å; K96-E110 HydrophobicContact CG-CG 4.19Å
97H90.6Very high88Confident10 Ų1081.2 Ų81.25%0.04640%0.404CS..EExtended strand (participates in β ladder)trans-105.6113.6173.2-17486.8000108.6F77 E81 R100 V107 S108 R109F77-H97 HydrophobicContact CD1-CB 3.85Å; F77-H97 HydrophobicContact CE1-CB 3.81Å; E81-H97 IonicContact OE1-CE1 2.76Å; E81-H97 IonicContact OE1-CG 3.77Å; E81-H97 IonicContact OE1-ND1 2.84Å; E81-H97 PolarHBondContact OE1-ND1 3.22Å; E81-H97 IonicContact OE2-ND1 3.31Å; E81-H97 PolarHBondContact OE2-ND1 3.14Å; E81-H97 VanDerWaalsContact OE2-ND1 3.15Å; H97-R100 VanDerWaalsContact CE1-CD 3.46Å; H97-R100 WeakPolarHBondContact CE1-CD 3.34Å; H97-R100 PolarHBondContact CE1-NH1 2.75Å; H97-R100 PolarHBondContact ND1-NH1 3.17Å; H97-V107 PolarHBondContact CD2-O 2.91Å; H97-S108 WeakPolarHBondContact O-CA 3.43Å; H97-S108 PolarHBondContact O-OG 2.83Å; H97-R109 WeakPolarHBondContact CA-O 3.05Å; H97-R109 HydrophobicContact CB-CB 4.18Å; H97-R109 WeakPolarHBondContact CB-O 3.38Å; H97-R109 PolarHBondContact N-O 3.09Å; H97-R109 PolarHBondContact O-N 2.79Å
98E89.9Confident87.9Confident123 Ų12382.2 Ų82.258%0.57541%0.412SS*.EExtended strand (participates in β ladder)trans-73.6170.2177.2-57.3-165.7152.900111K96 R100K96-E98 IonicContact NZ-OE1 3.62Å; K96-E98 PolarHBondContact NZ-OE1 2.82Å; E98-R100 PolarHBondContact O-N 3.23Å
99D86.8Confident88.2Confident119 Ų11976 Ų7664%0.63638%0.376SS*.EExtended strand (participates in β ladder)trans-57.398.9-176.9-72.3-34.6000111.1S108D99-S108 WeakPolarHBondContact OD1-CB 3.42Å
100R82.9Confident88.4Confident115 Ų11576.9 Ų76.943%0.43438%0.38SS..EExtended strand (participates in β ladder)trans-106146.9172.4-68-161.5-175.7130.62.9110.5E81 H97 E98 D102 F106 V107E81-R100 IonicContact OE1-CZ 3.66Å; E81-R100 IonicContact OE1-NE 2.88Å; E81-R100 IonicContact OE1-NH1 3.94Å; E81-R100 PolarHBondContact OE1-NH1 3.37Å; E81-R100 IonicContact OE1-NH2 2.82Å; E81-R100 PolarHBondContact OE1-NH2 3.17Å; E81-R100 IonicContact OE2-NH1 3.57Å; E81-R100 PolarHBondContact OE2-NH1 2.99Å; H97-R100 VanDerWaalsContact CE1-CD 3.46Å; H97-R100 WeakPolarHBondContact CE1-CD 3.34Å; H97-R100 PolarHBondContact CE1-NH1 2.75Å; H97-R100 PolarHBondContact ND1-NH1 3.17Å; E98-R100 PolarHBondContact O-N 3.23Å; R100-D102 PolarHBondContact O-N 2.9Å; R100-F106 CarbonylContact O-C 3.53Å; R100-F106 WeakPolarHBondContact O-CA 3.34Å; R100-V107 PolarHBondContact N-O 2.88Å; R100-V107 VanDerWaalsContact N-O 3.08Å; R100-V107 PolarHBondContact O-N 3.05Å
101Q81.5Confident88.4Confident156 Ų15675.3 Ų75.373%0.72937%0.373SS*.EExtended strand (participates in β ladder)trans-75.2109.8174.9-168.3173.5-3.300109.5G105 F106Q101-G105 CarbonylContact C-O 3.54Å; Q101-G105 WeakPolarHBondContact CA-O 3.19Å; Q101-F106 HydrophobicContact CB-CD1 4.31Å; Q101-F106 HydrophobicContact CB-CE1 4.07Å
102D75.4Confident88.3Confident67 Ų6780.7 Ų80.736%0.35840%0.401SS..EExtended strand (participates in β ladder)trans-91.9173.9167.5-86.3-14.6000109.4R100 H104 G105 V107 R109R100-D102 PolarHBondContact O-N 2.9Å; D102-H104 PolarHBondContact O-N 3.01Å; D102-G105 PolarHBondContact N-O 3.34Å; D102-G105 PolarHBondContact O-N 3.27Å; D102-G105 VanDerWaalsContact O-O 3.13Å; D102-V107 HydrophobicContact CB-CG2 3.98Å; D102-V107 WeakPolarHBondContact OD2-CG2 3.22Å; D102-R109 IonicContact OD2-CZ 3.79Å; D102-R109 IonicContact OD2-NH1 2.87Å; D102-R109 IonicContact OD2-NH2 3.15Å; D102-R109 PolarHBondContact OD2-NH2 2.82Å
103D78.5Confident88.3Confident163 Ų16382.6 Ų82.687%0.87241%0.406SS*.THydrogen-bonded Turntrans-55.8-18.3-178.8-67.7-31.8000114.6
104H79.1Confident88.2Confident191 Ų19188.4 Ų88.488%0.88443%0.431SS*.THydrogen-bonded Turntrans-122.59.2-173.3-60.1-53.3000114.4D102D102-H104 PolarHBondContact O-N 3.01Å
105G85.3Confident88.1Confident32 Ų3286.9 Ų86.933%0.3342%0.423SS..EExtended strand (participates in β ladder)trans139.5-152.9-178.900000112.5Q101 D102Q101-G105 CarbonylContact C-O 3.54Å; Q101-G105 WeakPolarHBondContact CA-O 3.19Å; D102-G105 PolarHBondContact N-O 3.34Å; D102-G105 PolarHBondContact O-N 3.27Å; D102-G105 VanDerWaalsContact O-O 3.13Å
106F85.3Confident88Confident149 Ų14994.5 Ų94.565%0.65445%0.452SS*.EExtended strand (participates in β ladder)trans-96137.9174.3-65.4-88000110.2R100 Q101R100-F106 CarbonylContact O-C 3.53Å; R100-F106 WeakPolarHBondContact O-CA 3.34Å; Q101-F106 HydrophobicContact CB-CD1 4.31Å; Q101-F106 HydrophobicContact CB-CE1 4.07Å
107V85.9Confident87.8Confident42 Ų4291.2 Ų91.226%0.25544%0.438SS..EExtended strand (participates in β ladder)trans-130.1130.3173.9-173.30000109.9H97 R100 D102 R109H97-V107 PolarHBondContact CD2-O 2.91Å; R100-V107 PolarHBondContact N-O 2.88Å; R100-V107 VanDerWaalsContact N-O 3.08Å; R100-V107 PolarHBondContact O-N 3.05Å; D102-V107 HydrophobicContact CB-CG2 3.98Å; D102-V107 WeakPolarHBondContact OD2-CG2 3.22Å; V107-R109 HydrophobicContact CG1-CG 3.85Å; V107-R109 VanDerWaalsContact CG1-NH2 3.33Å
108S88.9Confident87.7Confident68 Ų6891.5 Ų91.548%0.47644%0.441SS..EExtended strand (participates in β ladder)trans-117142.3166.9160.30000109H97 D99H97-S108 WeakPolarHBondContact O-CA 3.43Å; H97-S108 PolarHBondContact O-OG 2.83Å; D99-S108 WeakPolarHBondContact OD1-CB 3.42Å
109R89Confident87.3Confident35 Ų3590.1 Ų90.113%0.13245%0.445CS..EExtended strand (participates in β ladder)trans-140.5133.5-178.9-55.1-178.6-177.2100.63.5108F77 H97 D102 V107F77-R109 HydrophobicContact CE1-CB 4.05Å; F77-R109 WeakPolarHBondContact CE1-O 3.35Å; F77-R109 HydrophobicContact CZ-CB 3.85Å; H97-R109 WeakPolarHBondContact CA-O 3.05Å; H97-R109 HydrophobicContact CB-CB 4.18Å; H97-R109 WeakPolarHBondContact CB-O 3.38Å; H97-R109 PolarHBondContact N-O 3.09Å; H97-R109 PolarHBondContact O-N 2.79Å; D102-R109 IonicContact OD2-CZ 3.79Å; D102-R109 IonicContact OD2-NH1 2.87Å; D102-R109 IonicContact OD2-NH2 3.15Å; D102-R109 PolarHBondContact OD2-NH2 2.82Å; V107-R109 HydrophobicContact CG1-CG 3.85Å; V107-R109 VanDerWaalsContact CG1-NH2 3.33Å
110E92.8Very high86.9Confident118 Ų11887 Ų8755%0.55144%0.44SS*.EExtended strand (participates in β ladder)trans-141.1137.7174.4-175.1172.3-173.100109.8H94 A95 K96H94-E110 IonicContact CD2-OE1 3.78Å; H94-E110 IonicContact CE1-OE1 2.98Å; H94-E110 IonicContact NE2-OE1 3.56Å; H94-E110 PolarHBondContact NE2-OE1 2.64Å; A95-E110 CarbonylContact O-C 3.55Å; A95-E110 VanDerWaalsContact O-CA 3.26Å; A95-E110 WeakPolarHBondContact O-CA 3.38Å; K96-E110 HydrophobicContact CB-CG 4.25Å; K96-E110 HydrophobicContact CG-CG 4.19Å
111F93.3Very high86.8Confident30 Ų3082.4 Ų82.413%0.13243%0.425CS..EExtended strand (participates in β ladder)trans-140.1151.7165.977.2-105.4000111.7L72 V74 F77 V93 H94 A95 R113L72-F111 HydrophobicContact CD2-CE2 3.79Å; L72-F111 HydrophobicContact CD2-CZ 3.7Å; L72-F111 HydrophobicContact CG-CZ 4.38Å; V74-F111 HydrophobicContact CG1-CE1 4.16Å; V74-F111 HydrophobicContact CG1-CZ 3.79Å; F77-F111 HydrophobicContact CD2-CD1 4.41Å; F77-F111 AromaticContact CD2-CE1 3.87Å; F77-F111 HydrophobicContact CD2-CE1 3.87Å; F77-F111 AromaticContact CE2-CD1 3.52Å; F77-F111 HydrophobicContact CE2-CD1 3.52Å; F77-F111 AromaticContact CE2-CE1 3.4Å; F77-F111 HydrophobicContact CE2-CE1 3.4Å; F77-F111 AromaticContact CZ-CD1 3.59Å; F77-F111 HydrophobicContact CZ-CD1 3.59Å; F77-F111 AromaticContact CZ-CE1 3.88Å; F77-F111 HydrophobicContact CZ-CE1 3.88Å; V93-F111 HydrophobicContact CB-CE2 4.47Å; V93-F111 HydrophobicContact CG1-CE2 4.01Å; V93-F111 HydrophobicContact CG1-CZ 4.36Å; H94-F111 PolarHBondContact CD2-O 2.78Å; A95-F111 HydrophobicContact CB-CD1 3.64Å; A95-F111 HydrophobicContact CB-CD2 4.28Å; A95-F111 HydrophobicContact CB-CE1 3.23Å; A95-F111 HydrophobicContact CB-CE2 3.91Å; A95-F111 HydrophobicContact CB-CG 4.14Å; A95-F111 HydrophobicContact CB-CZ 3.36Å; A95-F111 PolarHBondContact N-O 2.98Å; A95-F111 PolarHBondContact O-N 2.82Å; F111-R113 HydrophobicContact CD2-CB 4.43Å; F111-R113 HydrophobicContact CD2-CG 3.84Å; F111-R113 HydrophobicContact CE2-CG 4.21Å
112L93.8Very high86.7Confident112 Ų11280.7 Ų80.759%0.58642%0.421SS*.EExtended strand (participates in β ladder)trans-129.1123.8169.6-168.8159.1000108.2T92 V93T92-L112 HydrophobicContact CG2-CD1 4.37Å; T92-L112 HydrophobicContact CG2-CD2 3.68Å; T92-L112 HydrophobicContact CG2-CG 3.93Å; V93-L112 CarbonylContact O-C 3.54Å; V93-L112 WeakPolarHBondContact O-CA 3.43Å
113R94.1Very high86.8Confident64 Ų6479.5 Ų79.524%0.24242%0.424CS..EExtended strand (participates in β ladder)trans-123.3132.9177.6-72.9-178.2-178.3-142.8-4.2110.6N56 G57 S59 T92 V93 F111 Y115N56-R113 PolarHBondContact O-NH2 2.78Å; G57-R113 VanDerWaalsContact C-NH2 3.34Å; G57-R113 VanDerWaalsContact CA-NH2 3.33Å; G57-R113 PolarHBondContact O-NH1 2.85Å; G57-R113 PolarHBondContact O-NH2 3.43Å; S59-R113 PolarHBondContact OG-NH1 2.84Å; T92-R113 CarbonylContact C-O 3.38Å; T92-R113 WeakPolarHBondContact CA-O 3.36Å; V93-R113 PolarHBondContact N-O 2.78Å; V93-R113 PolarHBondContact O-N 3.17Å; F111-R113 HydrophobicContact CD2-CB 4.43Å; F111-R113 HydrophobicContact CD2-CG 3.84Å; F111-R113 HydrophobicContact CE2-CG 4.21Å; R113-Y115 HydrophobicContact CB-CE2 3.75Å; R113-Y115 WeakPolarHBondContact CD-OH 3.18Å
114K94.6Very high86.8Confident121 Ų12176.3 Ų76.353%0.52642%0.421SS..EExtended strand (participates in β ladder)trans-118.6120.6-178.8-169.2170.7178.5171.90109.1F90 I91F90-K114 HydrophobicContact CB-CD 4.26Å; F90-K114 HydrophobicContact CB-CG 3.9Å; F90-K114 HydrophobicContact CD1-CD 4.06Å; F90-K114 HydrophobicContact CD1-CG 3.74Å; F90-K114 HydrophobicContact CG-CD 4.19Å; F90-K114 HydrophobicContact CG-CG 4.07Å; I91-K114 CarbonylContact O-C 3.59Å; I91-K114 WeakPolarHBondContact O-CA 3.24Å
115Y93.9Very high87.1Confident23 Ų2371.4 Ų71.49%0.0940%0.401CS..EExtended strand (participates in β ladder)trans-111.1131.3178.7-60.5-83.9000109.4S59 I70 F90 I91 V93 R113S59-Y115 WeakPolarHBondContact CB-OH 3.14Å; S59-Y115 PolarHBondContact OG-OH 2.86Å; I70-Y115 HydrophobicContact CD1-CD1 4.04Å; I70-Y115 HydrophobicContact CD1-CD2 3.95Å; I70-Y115 HydrophobicContact CD1-CG 3.62Å; I70-Y115 HydrophobicContact CG1-CD1 4.39Å; I70-Y115 HydrophobicContact CG1-CG 4.44Å; I70-Y115 HydrophobicContact CG2-CD1 4.31Å; I70-Y115 HydrophobicContact CG2-CD2 4.44Å; I70-Y115 HydrophobicContact CG2-CE1 3.94Å; I70-Y115 HydrophobicContact CG2-CE2 4.07Å; F90-Y115 CarbonylContact C-O 3.58Å; F90-Y115 VanDerWaalsContact CA-O 3.24Å; F90-Y115 WeakPolarHBondContact CA-O 3.26Å; I91-Y115 PolarHBondContact N-O 2.78Å; I91-Y115 PolarHBondContact O-N 2.97Å; V93-Y115 HydrophobicContact CG2-CD2 4.5Å; V93-Y115 HydrophobicContact CG2-CE2 4.26Å; R113-Y115 HydrophobicContact CB-CE2 3.75Å; R113-Y115 WeakPolarHBondContact CD-OH 3.18Å
116R91.9Very high87.4Confident159 Ų15971.1 Ų71.160%0.639%0.391SS*.EExtended strand (participates in β ladder)trans-81.2130.1173.5-168.3178-177.9178.52.1109.7E89 F90E89-R116 IonicContact OE2-CZ 3.84Å; E89-R116 IonicContact OE2-NE 3.62Å; E89-R116 IonicContact OE2-NH2 3.14Å; E89-R116 PolarHBondContact OE2-NH2 2.9Å; E89-R116 VanDerWaalsContact OE2-NH2 3.14Å; F90-R116 HydrophobicContact CD1-CB 3.97Å; F90-R116 HydrophobicContact CD1-CG 4.25Å; F90-R116 HydrophobicContact CE1-CB 3.75Å; F90-R116 HydrophobicContact CE1-CG 3.85Å; F90-R116 HydrophobicContact CZ-CG 4.28Å
117L90.6Very high87.8Confident18 Ų1868.2 Ų68.29%0.09439%0.386CS..PPolyproline II helixtrans-73.7143173.9-73.4171.8000110.8F68 E89 I91 V121 I126 A140F68-L117 HydrophobicContact CD1-CD2 4.25Å; F68-L117 HydrophobicContact CE1-CD2 4.38Å; E89-L117 WeakPolarHBondContact O-CB 3.5Å; E89-L117 PolarHBondContact O-N 3.14Å; I91-L117 HydrophobicContact CD1-CD2 3.44Å; I91-L117 VanDerWaalsContact CD1-CD2 3.44Å; I91-L117 HydrophobicContact CD1-CG 4.21Å; I91-L117 HydrophobicContact CG1-CD1 4.27Å; I91-L117 HydrophobicContact CG1-CD2 3.72Å; I91-L117 HydrophobicContact CG1-CG 3.94Å; L117-V121 HydrophobicContact CD2-CG1 4.24Å; L117-I126 HydrophobicContact CD1-CD1 3.72Å; L117-I126 HydrophobicContact CD2-CD1 3.96Å; L117-A140 HydrophobicContact CD2-CB 4.29Å
118P87.2Confident88.3Confident17 Ų1769.7 Ų69.711%0.1140%0.398CS..PPolyproline II helixtrans-65.7152.8167.323.3-24.6000110.6M63 F68 V121M63-P118 HydrophobicContact CE-CB 3.97Å; M63-P118 HydrophobicContact CE-CG 4.23Å; M63-P118 HydrophobicContact SD-CB 4.39Å; F68-P118 HydrophobicContact CB-CG 3.95Å; F68-P118 HydrophobicContact CD1-CG 4.22Å; F68-P118 HydrophobicContact CD2-CG 4.23Å; F68-P118 HydrophobicContact CG-CG 3.85Å; P118-V121 HydrophobicContact CG-CG2 3.74Å
119S82.7Confident88.6Confident94 Ų9471.9 Ų71.966%0.65740%0.404SS*.THydrogen-bonded Turntrans-61.3141179.453.10000111.8
120G77.4Confident88.9Confident52 Ų5272.9 Ų72.954%0.53641%0.412SS..THydrogen-bonded Turntrans86.4-0.2177.300000115.4P143G120-P143 WeakPolarHBondContact O-CD 3.35Å; G120-P143 WeakPolarHBondContact O-CG 3.41Å
121V82.3Confident89Confident20 Ų2069.5 Ų69.512%0.12140%0.402CS..  trans-76.5126.1169.7174.70000109.5L117 P118 I126 A140 R142L117-V121 HydrophobicContact CD2-CG1 4.24Å; P118-V121 HydrophobicContact CG-CG2 3.74Å; V121-I126 HydrophobicContact CG1-CD1 4.03Å; V121-I126 HydrophobicContact CG1-CG1 4.06Å; V121-A140 HydrophobicContact CG1-CB 3.73Å; V121-R142 HydrophobicContact CG2-CB 4.5Å
122L78.3Confident88.8Confident120 Ų12073.9 Ų73.963%0.62844%0.436SS*.  trans-87.2133170.8-64.8176.8000109.9A124 D125L122-A124 PolarHBondContact O-N 3.16Å; L122-D125 PolarHBondContact O-N 3.45Å
123G77.1Confident88.6Confident42 Ų4274.6 Ų74.643%0.43344%0.44SS..G310 helixtrans-62-25.7-178.200000114.6D125 I126G123-D125 VanDerWaalsContact C-N 3.27Å; G123-D125 PolarHBondContact O-N 3.3Å; G123-I126 PolarHBondContact O-N 3.26Å
124A79.7Confident88.4Confident96 Ų9672.1 Ų72.179%0.79344%0.435SS*.G310 helixtrans-66.9-26.9-177.800000113.6L122L122-A124 PolarHBondContact O-N 3.16Å
125D85.1Confident88.4Confident88 Ų8868.7 Ų68.747%0.47142%0.424SS..G310 helixtrans-97.62-174.9-54.7-38.6000112.5L122 G123 P141L122-D125 PolarHBondContact O-N 3.45Å; G123-D125 VanDerWaalsContact C-N 3.27Å; G123-D125 PolarHBondContact O-N 3.3Å; D125-P141 HydrophobicContact CB-CG 3.29Å; D125-P141 WeakPolarHBondContact O-CD 3.38Å
126I91.7Very high88.5Confident25 Ų2568 Ų6813%0.12842%0.422CS..  trans-75131.3178-58.1179.6000109.1L86 L117 V121 G123 I138 T139 A140L86-I126 HydrophobicContact CD1-CB 4.04Å; L86-I126 HydrophobicContact CD1-CD1 3.94Å; L86-I126 HydrophobicContact CD1-CG1 4.46Å; L86-I126 HydrophobicContact CD1-CG2 4.37Å; L86-I126 HydrophobicContact CD2-CD1 3.66Å; L86-I126 HydrophobicContact CD2-CG2 4.4Å; L86-I126 HydrophobicContact CG-CD1 4.47Å; L117-I126 HydrophobicContact CD1-CD1 3.72Å; L117-I126 HydrophobicContact CD2-CD1 3.96Å; V121-I126 HydrophobicContact CG1-CD1 4.03Å; V121-I126 HydrophobicContact CG1-CG1 4.06Å; G123-I126 PolarHBondContact O-N 3.26Å; I126-I138 HydrophobicContact CG2-CG2 3.8Å; I126-T139 WeakPolarHBondContact CA-O 3.3Å; I126-A140 HydrophobicContact CD1-CB 4.33Å; I126-A140 HydrophobicContact CG1-CB 3.89Å
127T94.1Very high88.7Confident88 Ų8862 Ų6254%0.5440%0.402SS..EExtended strand (participates in β ladder)trans-123.4147.2179.3550000110.5I138 T139T127-I138 CarbonylContact O-C 3.51Å; T127-I138 WeakPolarHBondContact O-CA 3.4Å; T127-T139 PolarHBondContact N-O 3.18Å; T127-T139 PolarHBondContact O-N 3.23Å; T127-T139 PolarHBondContact OG1-O 3.38Å
128S95.3Very high89Confident73 Ų7361.2 Ų61.251%0.5140%0.399SS..EExtended strand (participates in β ladder)trans-124.6143.9174.357.90000110.3T137S128-T137 CarbonylContact C-O 3.58Å; S128-T137 WeakPolarHBondContact CA-O 3.46Å
129N96.1Very high89.3Confident114 Ų11461.9 Ų61.961%0.6140%0.402SS*.EExtended strand (participates in β ladder)trans-143.9133.8178.4-172-21.3000109.6T137N129-T137 PolarHBondContact N-O 2.76Å; N129-T137 PolarHBondContact O-N 2.76Å
130L95.5Very high89.8Confident57 Ų5757.4 Ų57.430%0.29837%0.371SS..EExtended strand (participates in β ladder)trans-106.4118.4175.8179.362.9000109.9V74 P79 L82 L136V74-L130 HydrophobicContact CG2-CD1 3.46Å; V74-L130 VanDerWaalsContact CG2-CD1 3.46Å; P79-L130 HydrophobicContact CB-CD2 3.94Å; P79-L130 HydrophobicContact CG-CD2 3.73Å; L82-L130 HydrophobicContact CD1-CD1 4.41Å; L82-L130 HydrophobicContact CD1-CD2 4.01Å; L130-L136 HydrophobicContact CB-CD1 4.46Å; L130-L136 HydrophobicContact CD1-CB 4.25Å
131S94.2Very high90.4Very high47 Ų4757.4 Ų57.433%0.32936%0.361SS..  trans-73.9154.6174.6-176.10000111.9D133 G134 V135S131-D133 PolarHBondContact O-N 3.28Å; S131-D133 VanDerWaalsContact O-N 3.16Å; S131-D133 PolarHBondContact OG-N 3.18Å; S131-G134 PolarHBondContact O-N 3.31Å; S131-V135 PolarHBondContact N-O 3.15Å
132S90.3Very high90.5Very high121 Ų12159.7 Ų59.785%0.84637%0.368SS*.THydrogen-bonded Turntrans-58.3-24.1171.553.70000113.4G134S132-G134 PolarHBondContact O-N 2.84Å
133D88.8Confident90.2Very high128 Ų12857.5 Ų57.568%0.68436%0.361SS*.THydrogen-bonded Turntrans-80.31.6178.4-56.4-30.6000112.7S131S131-D133 PolarHBondContact O-N 3.28Å; S131-D133 VanDerWaalsContact O-N 3.16Å; S131-D133 PolarHBondContact OG-N 3.18Å
134G90.3Very high89.6Confident12 Ų1260.1 Ų60.112%0.12437%0.371CS..SBendtrans83.123.1178.700000114.1V74 K75 S131 S132V74-G134 CarbonylContact C-O 3.59Å; V74-G134 WeakPolarHBondContact CA-O 3.36Å; V74-G134 VanDerWaalsContact CG2-O 3.26Å; V74-G134 WeakPolarHBondContact CG2-O 3.47Å; V74-G134 PolarHBondContact N-O 3.17Å; K75-G134 PolarHBondContact N-O 2.86Å; K75-G134 VanDerWaalsContact N-O 3.14Å; S131-G134 PolarHBondContact O-N 3.31Å; S132-G134 PolarHBondContact O-N 2.84Å
135V94.5Very high88.9Confident48 Ų4860.9 Ų60.929%0.29136%0.361SS..EExtended strand (participates in β ladder)trans-104.5116.7177.2-177.60000110.1Y71 L72 S131Y71-V135 HydrophobicContact CD1-CG1 4.44Å; L72-V135 WeakPolarHBondContact O-CA 3.45Å; S131-V135 PolarHBondContact N-O 3.15Å
136L96.1Very high87.8Confident9 Ų959.5 Ų59.55%0.04737%0.368CS..EExtended strand (participates in β ladder)trans-83.2122.2171.5178.866.6000109.3Y71 L72 V74 V84 V93 L130 I138Y71-L136 CarbonylContact C-O 3.55Å; L72-L136 HydrophobicContact CB-CB 4.34Å; L72-L136 HydrophobicContact CD2-CD2 4.3Å; L72-L136 PolarHBondContact N-O 3.39Å; L72-L136 PolarHBondContact O-N 2.87Å; V74-L136 HydrophobicContact CG1-CB 4.19Å; V74-L136 HydrophobicContact CG2-CB 3.91Å; V84-L136 HydrophobicContact CG2-CD2 4Å; V93-L136 HydrophobicContact CG1-CD2 3.86Å; V93-L136 HydrophobicContact CG2-CD2 4.47Å; L130-L136 HydrophobicContact CB-CD1 4.46Å; L130-L136 HydrophobicContact CD1-CB 4.25Å; L136-I138 HydrophobicContact CD2-CD1 4.28Å; L136-I138 HydrophobicContact CD2-CG1 4.45Å; L136-I138 HydrophobicContact CG-CG1 4.25Å
137T96.3Very high86.6Confident32 Ų3264.5 Ų64.520%0.19640%0.402CS..EExtended strand (participates in β ladder)trans-111.5123.4176.9-52.40000109.3V69 I70 Y71 S128 N129V69-T137 HydrophobicContact CG1-CG2 3.79Å; I70-T137 CarbonylContact O-C 3.54Å; I70-T137 VanDerWaalsContact O-CA 3.29Å; I70-T137 WeakPolarHBondContact O-CA 3.28Å; Y71-T137 HydrophobicContact CD1-CG2 4.03Å; Y71-T137 HydrophobicContact CE1-CG2 3.8Å; S128-T137 CarbonylContact C-O 3.58Å; S128-T137 WeakPolarHBondContact CA-O 3.46Å; N129-T137 PolarHBondContact N-O 2.76Å; N129-T137 PolarHBondContact O-N 2.76Å
138I95.9Very high85.4Confident3 Ų368.4 Ų68.42%0.01542%0.42CS..EExtended strand (participates in β ladder)trans-114.1121.5175.4-52.5175.1000107.7V69 I70 V84 I91 V93 I126 T127 L136V69-I138 CarbonylContact C-O 3.54Å; V69-I138 WeakPolarHBondContact CA-O 3.45Å; I70-I138 HydrophobicContact CB-CB 4.28Å; I70-I138 PolarHBondContact N-O 2.92Å; I70-I138 PolarHBondContact O-N 3.08Å; V84-I138 HydrophobicContact CG1-CD1 3.98Å; V84-I138 HydrophobicContact CG2-CD1 4.45Å; I91-I138 HydrophobicContact CD1-CG2 3.95Å; I91-I138 HydrophobicContact CG2-CD1 3.9Å; V93-I138 HydrophobicContact CG2-CD1 3.59Å; I126-I138 HydrophobicContact CG2-CG2 3.8Å; T127-I138 CarbonylContact O-C 3.51Å; T127-I138 WeakPolarHBondContact O-CA 3.4Å; L136-I138 HydrophobicContact CD2-CD1 4.28Å; L136-I138 HydrophobicContact CD2-CG1 4.45Å; L136-I138 HydrophobicContact CG-CG1 4.25Å
139T94.6Very high84.4Confident31 Ų3175.6 Ų75.619%0.1944%0.435CS..EExtended strand (participates in β ladder)trans-116.8125.8-178.6-56.60000109.7R67 F68 V69 I126 T127R67-T139 HydrophobicContact CB-CG2 4.26Å; F68-T139 WeakPolarHBondContact O-CA 3.32Å; V69-T139 HydrophobicContact CG2-CG2 4.42Å; I126-T139 WeakPolarHBondContact CA-O 3.3Å; T127-T139 PolarHBondContact N-O 3.18Å; T127-T139 PolarHBondContact O-N 3.23Å; T127-T139 PolarHBondContact OG1-O 3.38Å
140A92.6Very high83.5Confident0 Ų076.9 Ų76.90%044%0.443CS..EExtended strand (participates in β ladder)trans-119.2117.7175.200000108.9R67 F68 L117 V121 I126R67-A140 CarbonylContact C-O 3.57Å; R67-A140 WeakPolarHBondContact CA-O 3.26Å; F68-A140 HydrophobicContact CB-CB 4.19Å; F68-A140 HydrophobicContact CD1-CB 4.13Å; F68-A140 PolarHBondContact N-O 2.98Å; F68-A140 PolarHBondContact O-N 2.77Å; L117-A140 HydrophobicContact CD2-CB 4.29Å; V121-A140 HydrophobicContact CG1-CB 3.73Å; I126-A140 HydrophobicContact CD1-CB 4.33Å; I126-A140 HydrophobicContact CG1-CB 3.89Å
141P89.4Confident83Confident51 Ų5180.5 Ų80.533%0.33146%0.461SS..EExtended strand (participates in β ladder)trans-68140.6175.326.6-28.9000109.4D125D125-P141 HydrophobicContact CB-CG 3.29Å; D125-P141 WeakPolarHBondContact O-CD 3.38Å
142R84.3Confident82.6Confident69 Ų6983.5 Ų83.526%0.2648%0.479SS..  trans-115.7129.2-179.4-173.5-178.2175.4-156.36108.2D66 V121 C144D66-R142 PolarHBondContact O-N 3.35Å; V121-R142 HydrophobicContact CG2-CB 4.5Å; R142-C144 PolarHBondContact O-N 3.05Å
143P71.9Confident82.4Confident74 Ų7485.8 Ų85.848%0.48148%0.48SS..  trans-61.3125.6169.525.4-31.4000108.3G120 L145G120-P143 WeakPolarHBondContact O-CD 3.35Å; G120-P143 WeakPolarHBondContact O-CG 3.41Å; P143-L145 PolarHBondContact O-N 2.89Å
144C65.4Low82.2Confident96 Ų9685.2 Ų85.265%0.64949%0.486SS*.  trans-57.5110.8-179.2-148.80000108.2R142R142-C144 PolarHBondContact O-N 3.05Å
145L64Low81.9Confident112 Ų11292.4 Ų92.459%0.58651%0.514SS*.  trans-71131.6173.7-77.7148.3000106.7P143P143-L145 PolarHBondContact O-N 2.89Å
146G63Low81.2Confident59 Ų5999 Ų9961%0.60854%0.542SS*.  trans-53.9-177.8-169.700000115.9D148G146-D148 PolarHBondContact O-N 3.47Å
147P66.6Low80.3Confident130 Ų130104.6 Ų104.684%0.84457%0.572SS**SBendtrans-52138.2-163.621.6-33.5000113.3R149P147-R149 PolarHBondContact O-N 2.93Å; P147-R149 VanDerWaalsContact O-N 3.11Å
148D68.4Low79Confident170 Ų170106.9 Ų106.991%0.90960%0.602SS**  trans-44.9115.2178.5-70-23.7000111.1G146 N150G146-D148 PolarHBondContact O-N 3.47Å; D148-N150 PolarHBondContact O-N 2.75Å
149R74.2Confident77.2Confident224 Ų224111.7 Ų111.785%0.84564%0.636SS**  trans-82110.1176.2-174.6179.1175.3-157.9-1.7108.9P147 I151P147-R149 PolarHBondContact O-N 2.93Å; P147-R149 VanDerWaalsContact O-N 3.11Å; R149-I151 PolarHBondContact O-N 3.39Å
150N77Confident75.6Confident142 Ų142119.7 Ų119.776%0.75967%0.671SS**  trans-66.7120.4170.3-167.3-36.5000109.3D148 P152D148-N150 PolarHBondContact O-N 2.75Å; N150-P152 WeakPolarHBondContact O-CD 3.37Å
151I84.9Confident73.9Confident132 Ų132129.2 Ų129.268%0.67771%0.713SS**  trans-99.7107176.9-56.7174.7000107R149R149-I151 PolarHBondContact O-N 3.39Å
152P86.8Confident72.3Confident111 Ų111136.1 Ų136.172%0.72174%0.74SS**  trans-66.9137.9-18027.2-33.4000110.8N150 S154N150-P152 WeakPolarHBondContact O-CD 3.37Å; P152-S154 PolarHBondContact O-N 2.85Å
153I86.3Confident70.9Confident169 Ų169142.9 Ų142.987%0.86777%0.771SS**  trans-84.5111.6175.1-57.2173.2000107.8
154S83.7Confident69.9Low116 Ų116151.7 Ų151.781%0.81181%0.81SS**  trans-83.9128.3170.554.50000110.2P152P152-S154 PolarHBondContact O-N 2.85Å
155F84.9Confident70.1Confident162 Ų162154.5 Ų154.571%0.71182%0.818SS**  trans-109118.3173.7179-111.7000108.7D157F155-D157 HydrophobicContact CE1-CB 4.27Å; F155-D157 WeakPolarHBondContact CE1-OD1 3.32Å; F155-D157 WeakPolarHBondContact CE1-OD2 3.44Å; F155-D157 WeakPolarHBondContact CZ-OD1 2.95Å
156E80.1Confident70.4Confident186 Ų186156.7 Ų156.787%0.86983%0.83SS**  trans-95.6111.3169.6-80.4-167.1152.300109.3G158E156-G158 PolarHBondContact O-N 3.08Å
157D77.1Confident70.8Confident127 Ų127162.2 Ų162.268%0.67984%0.842SS**  trans-75.4105.5167.7-96.9-36.4000109.2F155 S159F155-D157 HydrophobicContact CE1-CB 4.27Å; F155-D157 WeakPolarHBondContact CE1-OD1 3.32Å; F155-D157 WeakPolarHBondContact CE1-OD2 3.44Å; F155-D157 WeakPolarHBondContact CZ-OD1 2.95Å; D157-S159 VanDerWaalsContact C-N 3.28Å; D157-S159 PolarHBondContact O-N 3.26Å
158G68.3Low71.1Confident80 Ų80164.1 Ų164.183%0.82584%0.842SS**  trans-68.278.7175.700000112.4E156E156-G158 PolarHBondContact O-N 3.08Å
159S58.3Low71.2Confident104 Ų104163.7 Ų163.773%0.72784%0.838SS**  trans-124.874.8169.6-78.20000111D157 K161D157-S159 VanDerWaalsContact C-N 3.28Å; D157-S159 PolarHBondContact O-N 3.26Å; S159-K161 PolarHBondContact O-N 2.81Å
160Q60.4Low71Confident199 Ų199159.7 Ų159.793%0.9384%0.837SS**  trans-76.793.9160.6-69.3-167.8-2.300108.8Q162Q160-Q162 PolarHBondContact O-N 2.81Å; Q160-Q162 VanDerWaalsContact O-N 3.13Å
161K56.9Low70.6Confident201 Ų201160.9 Ų160.987%0.87484%0.843SS**  trans-73.4100.7163.8-83.1-174.3176.3179.30108.8S159 K163S159-K161 PolarHBondContact O-N 2.81Å; K161-K163 PolarHBondContact O-N 3.2Å
162Q56.1Low69.5Low195 Ų195163.2 Ų163.291%0.91186%0.856SS**  trans-61.2117.4168.1-134.5169.80.400108.7Q160Q160-Q162 PolarHBondContact O-N 2.81Å; Q160-Q162 VanDerWaalsContact O-N 3.13Å
163K55.1Low68.1Low211 Ų211167.5 Ų167.592%0.91787%0.867SS**  trans-80.8115.7176.1-168.1179.6-177.4-176.50107.8K161K161-K163 PolarHBondContact O-N 3.2Å
164M49.7Very low66.4Low260 Ų260167.4 Ų167.4100%1.28187%0.867SS**  trans-110.70161.1-121.6176.796.600108.3

Retrieved 164 of 164 residues in 931.1 ms (Link to these results)