A0A077ZLY5_TRITR Loading...

RPB6 homolog

AlphaFold DB , UniProt , Accession A0A077ZLY5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 130 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M47.8Very low46.7Very low253 Ų253174.8 Ų174.8100%1.24689%0.891SS**  0105.50-73.1172.8171.400104.7
2A44.5Very low46.3Very low93 Ų93175.5 Ų175.577%0.76988%0.883SS**  trans-96129.3172.500000106.2
3D45Very low45.9Very low158 Ų158166.2 Ų166.285%0.84586%0.859SS**  -172.9118127.5-103.2-9.5000107.9
4D52.9Low45.7Very low162 Ų162167.4 Ų167.487%0.86686%0.859SS**  trans-53.5132.6167.8-88.6-39.5000109.3E6D4-E6 PolarHBondContact O-N 3.44Å
5Q51.4Low45.4Very low184 Ų184165.1 Ų165.186%0.8685%0.849SS**  trans-82.1111165.7-69.4175.62000106.6L7Q5-L7 PolarHBondContact O-N 3.44Å
6E44.5Very low45.3Very low185 Ų185164.3 Ų164.386%0.86485%0.846SS**  trans-53.1120.1169.2-70.5-166.3144.600109.2D4 D8D4-E6 PolarHBondContact O-N 3.44Å; E6-D8 PolarHBondContact O-N 3.24Å
7L48Very low45.5Very low165 Ų165164.8 Ų164.886%0.86484%0.844SS**  trans-76.7111.9167.5-89.4144.9000106.7Q5 E9Q5-L7 PolarHBondContact O-N 3.44Å; L7-E9 PolarHBondContact O-N 3Å
8D47.5Very low45.3Very low153 Ų153164.8 Ų164.882%0.81884%0.84SS**  trans-51.5120.6171.9-78.8-38.9000109.8E6 E10E6-D8 PolarHBondContact O-N 3.24Å; D8-E10 PolarHBondContact O-N 3.21Å
9E44.7Very low45.2Very low195 Ų195163.9 Ų163.991%0.91184%0.838SS**  trans-66.191.9170.3-69.5173.5160.500108.2L7 E11L7-E9 PolarHBondContact O-N 3Å; E9-E11 PolarHBondContact O-N 3Å
10E44.5Very low45.3Very low187 Ų187162.8 Ų162.887%0.87483%0.832SS**  trans-68.3100.6164.2-75.2-162.9176.700108.5D8 F12D8-E10 PolarHBondContact O-N 3.21Å; E10-F12 PolarHBondContact O-N 2.99Å
11E43.1Very low45.1Very low188 Ų188162.1 Ų162.188%0.87983%0.83SS**  trans-39.799.7167.9-171.5172.6-17600111E9 G13E9-E11 PolarHBondContact O-N 3Å; E11-G13 PolarHBondContact O-N 3.01Å
12F41.4Very low45.2Very low183 Ų183157.8 Ų157.880%0.80381%0.807SS**  trans-69.596170.6-151.2-93.5000106.5E10 E14E10-F12 PolarHBondContact O-N 2.99Å; F12-E14 PolarHBondContact O-N 3.27Å
13G41.8Very low45.1Very low55 Ų55161.9 Ų161.957%0.56781%0.81SS**  trans-50.8125.6176.900000109.8E11 D15E11-G13 PolarHBondContact O-N 3.01Å; G13-D15 PolarHBondContact O-N 3.25Å
14E43.4Very low45.5Very low183 Ų183161.1 Ų161.186%0.85580%0.804SS**  trans-50.4123.3179.6-67.7175.5145.600109.7F12 D16F12-E14 PolarHBondContact O-N 3.27Å; E14-D16 PolarHBondContact O-N 2.94Å
15D40.8Very low45Very low133 Ų133160.4 Ų160.471%0.71180%0.796SS**  trans-60.198.6168.2-74.8-50.5000107.7G13 E17G13-D15 PolarHBondContact O-N 3.25Å; D15-E17 PolarHBondContact O-N 2.88Å
16D44.2Very low44.8Very low151 Ų151160.2 Ų160.281%0.80780%0.795SS**  trans-65.286.4161.5-82.8-38.3000107.2E14 E18E14-D16 PolarHBondContact O-N 2.94Å; D16-E18 PolarHBondContact O-N 2.87Å
17E47.5Very low44.8Very low174 Ų174160 Ų16081%0.81379%0.792SS**  trans-64.281.9159.6-72.2-175.7167.700107.4D15 D19D15-E17 PolarHBondContact O-N 2.88Å; E17-D19 PolarHBondContact O-N 2.99Å
18E43Very low44.2Very low165 Ų165158.9 Ų158.977%0.77179%0.786SS**  trans-63.6102.2163.2-75.3-170.4167.300107.3D16 I20D16-E18 PolarHBondContact O-N 2.87Å; E18-I20 VanDerWaalsContact C-N 3.26Å; E18-I20 PolarHBondContact O-N 2.83Å
19D43.4Very low44Very low148 Ų148160.6 Ų160.679%0.79179%0.79SS**  trans-55.292.7163.1-81.5-42.3000108.1E17 D21E17-D19 PolarHBondContact O-N 2.99Å; D19-D21 PolarHBondContact O-N 2.9Å
20I47.2Very low43.9Very low141 Ų141157.6 Ų157.672%0.72378%0.784SS**  trans-71.388.5167.3-58.9170.6000105.4E18 E22E18-I20 VanDerWaalsContact C-N 3.26Å; E18-I20 PolarHBondContact O-N 2.83Å; I20-E22 VanDerWaalsContact C-N 3.28Å; I20-E22 PolarHBondContact O-N 2.86Å
21D41.4Very low43.8Very low148 Ų148154.7 Ų154.779%0.79178%0.775SS**  trans-55.599.6159.9-84.4-30.7000106.7D19 E23D19-D21 PolarHBondContact O-N 2.9Å; D21-E23 PolarHBondContact O-N 2.85Å
22E48.1Very low43.8Very low163 Ų163147.9 Ų147.976%0.76276%0.755SS**  trans-64.877.3167.8-75.6-175.3167.500108I20 I24I20-E22 VanDerWaalsContact C-N 3.28Å; I20-E22 PolarHBondContact O-N 2.86Å; E22-I24 PolarHBondContact O-N 2.75Å
23E44.1Very low44.3Very low178 Ų178145.2 Ų145.283%0.83275%0.745SS**  trans-69.383.4163.5-154.2168.8-15300106D21 E25D21-E23 PolarHBondContact O-N 2.85Å; E23-E25 PolarHBondContact O-N 2.96Å
24I52.5Low45.1Very low142 Ų142147.7 Ų147.773%0.72875%0.745SS**  trans-63.294.7167.9-60.3173.4000105.1E22 E26E22-I24 PolarHBondContact O-N 2.75Å; I24-E26 PolarHBondContact O-N 3.38Å
25E42.7Very low45.7Very low148 Ų148140.5 Ų140.569%0.69271%0.712SS**  trans-52.6113.3164.9-77.5-167.2168.100106.7E23 F27E23-E25 PolarHBondContact O-N 2.96Å; E25-F27 WeakPolarHBondContact O-CD2 3.46Å; E25-F27 PolarHBondContact O-N 3.36Å
26E45.8Very low47.2Very low180 Ų180137.6 Ų137.684%0.84170%0.697SS**  trans-57.397.2165.7-168.8171.5-16200105I24 D28I24-E26 PolarHBondContact O-N 3.38Å; E26-D28 PolarHBondContact O-N 2.85Å
27F44.7Very low48.5Very low180 Ų180132.1 Ų132.179%0.78967%0.667SS**  trans-59.795.6175.2-82.9-89.7000106.2E25 Q29E25-F27 WeakPolarHBondContact O-CD2 3.46Å; E25-F27 PolarHBondContact O-N 3.36Å; F27-Q29 PolarHBondContact O-N 3.21Å; F27-Q29 VanDerWaalsContact O-N 3.12Å
28D36.2Very low49.7Very low141 Ų141126.5 Ų126.575%0.75464%0.642SS**  trans-47.4125.2169.7-108.2-23.1000106E26 V30E26-D28 PolarHBondContact O-N 2.85Å; D28-V30 WeakPolarHBondContact O-CG2 3.46Å; D28-V30 PolarHBondContact O-N 3.34Å
29Q44.4Very low50.6Low190 Ų190122.5 Ų122.589%0.88863%0.631SS**  trans-56.990.2-178.8-169.116899.100107.2F27 D31F27-Q29 PolarHBondContact O-N 3.21Å; F27-Q29 VanDerWaalsContact O-N 3.12Å; Q29-D31 PolarHBondContact O-N 2.92Å
30V41.8Very low51.6Low131 Ų131118.5 Ų118.579%0.79461%0.614SS**  trans-59.5112.6179.8-152.50000103.9D28 G32D28-V30 WeakPolarHBondContact O-CG2 3.46Å; D28-V30 PolarHBondContact O-N 3.34Å; V30-G32 VanDerWaalsContact O-CA 3.26Å; V30-G32 WeakPolarHBondContact O-CA 3.39Å; V30-G32 PolarHBondContact O-N 3.06Å
31D42.9Very low51.8Low126 Ų126117 Ų11767%0.67461%0.612SS**  trans-48.689.7-172.9-151.1-5.2000108.6Q29 Q33Q29-D31 PolarHBondContact O-N 2.92Å; D31-Q33 PolarHBondContact O-N 3.16Å; D31-Q33 WeakPolarHBondContact OD1-CG 3.34Å; D31-Q33 PolarHBondContact OD1-NE2 3.5Å; D31-Q33 PolarHBondContact OD2-NE2 2.98Å
32G43.3Very low52.1Low45 Ų45115 Ų11546%0.46461%0.609SS.*  trans-87.943.4-160.100000110.8V30 D34V30-G32 VanDerWaalsContact O-CA 3.26Å; V30-G32 WeakPolarHBondContact O-CA 3.39Å; V30-G32 PolarHBondContact O-N 3.06Å; G32-D34 PolarHBondContact O-N 3.24Å
33Q51.8Low51.9Low127 Ų127114.4 Ų114.459%0.59361%0.611SS**THydrogen-bonded Turntrans-65.3-6.5-163.3-68.5-178.5-5.500114.5D31 Y111D31-Q33 PolarHBondContact O-N 3.16Å; D31-Q33 WeakPolarHBondContact OD1-CG 3.34Å; D31-Q33 PolarHBondContact OD1-NE2 3.5Å; D31-Q33 PolarHBondContact OD2-NE2 2.98Å; Q33-Y111 WeakPolarHBondContact O-CD2 3.49Å
34D57.9Low51.8Low108 Ų108112.9 Ų112.958%0.57861%0.609SS**THydrogen-bonded Turntrans-109.5-9-169.2-71.5-39.8000116.3G32 Y111G32-D34 PolarHBondContact O-N 3.24Å; D34-Y111 WeakPolarHBondContact O-CD2 3.31Å
35I55.3Low51.2Low31 Ų31115.2 Ų115.216%0.15961%0.614CS.*EExtended strand (participates in β ladder)trans-146.3110.3-179.2-54.1174.8000111.7E63 R66 I108 R109I35-E63 HydrophobicContact CD1-CG 4.01Å; I35-R66 PolarHBondContact O-NH1 3.38Å; I35-R66 PolarHBondContact O-NH2 2.83Å; I35-I108 HydrophobicContact CG2-CG2 4.16Å; I35-R109 WeakPolarHBondContact CA-O 3.46Å
36D73.9Confident51.3Low72 Ų72114.9 Ų114.939%0.38561%0.612SS.*EExtended strand (participates in β ladder)trans-102.4136.8167.3-90.9-16.1000110.4R109 Y111D36-R109 HydrophobicContact CB-CB 4.16Å; D36-R109 PolarHBondContact N-O 2.79Å; D36-R109 PolarHBondContact O-N 2.61Å; D36-Y111 HydrophobicContact CB-CE2 4.24Å; D36-Y111 PolarHBondContact OD2-OH 2.89Å
37I70.4Confident51.3Low37 Ų37110.9 Ų110.919%0.1961%0.61CS.*EExtended strand (participates in β ladder)trans-101.5113.4174.7-75.3170.6000108R66 V67 T70 I106 I107I37-R66 HydrophobicContact CD1-CB 4.26Å; I37-R66 HydrophobicContact CD1-CG 3.66Å; I37-V67 HydrophobicContact CD1-CG2 4.38Å; I37-T70 HydrophobicContact CD1-CG2 4.4Å; I37-T70 WeakPolarHBondContact CD1-OG1 3.35Å; I37-T70 HydrophobicContact CG2-CG2 4.12Å; I37-I106 HydrophobicContact CB-CG2 4.3Å; I37-I106 HydrophobicContact CG1-CG2 4.17Å; I37-I106 HydrophobicContact CG2-CB 4.33Å; I37-I106 HydrophobicContact CG2-CD1 4.12Å; I37-I106 HydrophobicContact CG2-CG1 4.05Å; I37-I106 HydrophobicContact CG2-CG2 3.47Å; I37-I106 VanDerWaalsContact CG2-CG2 3.47Å; I37-I107 WeakPolarHBondContact CA-O 3.45Å
38L72.1Confident51.5Low56 Ų56109.6 Ų109.629%0.29361%0.611SS.*EExtended strand (participates in β ladder)trans-106.7140.5-179-63.9171.7000110.9I107L38-I107 HydrophobicContact CB-CB 4.36Å; L38-I107 PolarHBondContact N-O 3.33Å; L38-I107 PolarHBondContact O-N 3.47Å
39P63.8Low52.3Low80 Ų80104.9 Ų104.952%0.51959%0.591SS.*EExtended strand (participates in β ladder)trans-67.4139.1171.527.7-31.8000110T41P39-T41 PolarHBondContact O-N 2.91Å
40S62.4Low52.8Low64 Ų6499.3 Ų99.345%0.44857%0.573SS.*SBendtrans-67.62.8-175.160.30000115.4S42S40-S42 PolarHBondContact O-N 3.24Å
41T51.6Low53.9Low110 Ų11098.6 Ų98.668%0.67557%0.569SS**  trans-93.576.9179.859.70000109.9P39P39-T41 PolarHBondContact O-N 2.91Å
42S48.5Very low55.4Low106 Ų10699.9 Ų99.974%0.74158%0.576SS**  trans-143.481165.8-64.20000108.6S40S40-S42 PolarHBondContact O-N 3.24Å
43D44.3Very low57.3Low150 Ų150100.9 Ų100.980%0.80257%0.565SS**  trans-54141151.5-65.6-75.9000108.6
44D41.5Very low59.1Low146 Ų146101 Ų10178%0.78157%0.569SS**SBendtrans88.9104.4169.5-52.9-43.1000119
45K39.6Very low60.8Low192 Ų19297.4 Ų97.484%0.83555%0.551SS**SBendtrans8878.9150.5-54.9171-173.1169.60117.8
46E45.3Very low62.5Low140 Ų14098.9 Ų98.965%0.65456%0.564SS**  trans17464.5132.5-95.3160.8-175.400110.8L48 A49E46-L48 PolarHBondContact O-N 3.42Å; E46-A49 PolarHBondContact O-N 2.87Å
47A46.5Very low63.5Low96 Ų9698.7 Ų98.779%0.79357%0.567SS**THydrogen-bonded Turntrans-65.716.7170.300000114
48L47.6Very low64.7Low154 Ų154101.6 Ų101.681%0.80658%0.578SS**THydrogen-bonded Turntrans-88.3-17172.5-81.8153.5000112.5E46 S50E46-L48 PolarHBondContact O-N 3.42Å; L48-S50 VanDerWaalsContact C-N 3.32Å; L48-S50 PolarHBondContact O-N 3.18Å
49A53.1Low65.8Low42 Ų4299.5 Ų99.535%0.34757%0.567SS.*THydrogen-bonded Turntrans-74.7-11.4-17400000115.3E46 R53E46-A49 PolarHBondContact O-N 2.87Å; A49-R53 WeakPolarHBondContact O-CG 3.36Å
50S56Low67.3Low73 Ų7398.4 Ų98.451%0.5156%0.559SS.*THydrogen-bonded Turntrans-98.8-12.9-175.260.40000115.1L48 N52L48-S50 VanDerWaalsContact C-N 3.32Å; L48-S50 PolarHBondContact O-N 3.18Å; S50-N52 PolarHBondContact O-N 2.89Å
51V63.9Low68.9Low115 Ų115101.8 Ų101.870%0.69757%0.565SS**THydrogen-bonded Turntrans-82.2-16.4-166.7-175.80000113
52N75.3Confident71Confident153 Ų153103.9 Ų103.982%0.81856%0.562SS**THydrogen-bonded Turntrans-153.252.5-178.5-120.78000112.9S50 I54S50-N52 PolarHBondContact O-N 2.89Å; N52-I54 PolarHBondContact O-N 2.73Å
53R82.8Confident73.2Confident66 Ų6699.1 Ų99.125%0.24953%0.528CS..  trans-67.7130.3174.5-60.9-169.1-165.8158.14110.4A49 E118 D119 W120 E124A49-R53 WeakPolarHBondContact O-CG 3.36Å; R53-E118 VanDerWaalsContact CA-OE1 3.3Å; R53-E118 WeakPolarHBondContact CA-OE1 3.34Å; R53-E118 HydrophobicContact CG-CG 4.47Å; R53-D119 PolarHBondContact NE-O 2.79Å; R53-D119 PolarHBondContact NH2-O 2.97Å; R53-D119 VanDerWaalsContact NH2-O 3.11Å; R53-W120 HydrophobicContact CB-CH2 4.47Å; R53-W120 HydrophobicContact CB-CZ2 3.82Å; R53-W120 VanDerWaalsContact CD-CE2 3.47Å; R53-W120 VanDerWaalsContact CD-CZ2 3.42Å; R53-W120 HydrophobicContact CG-CZ2 4.27Å; R53-W120 VanDerWaalsContact NH1-CD2 3.31Å; R53-E124 IonicContact CZ-OE2 2.86Å; R53-E124 IonicContact NH1-OE2 2.77Å; R53-E124 PolarHBondContact NH1-OE2 2.87Å; R53-E124 IonicContact NH2-OE1 3.68Å; R53-E124 IonicContact NH2-OE2 3.47Å; R53-E124 PolarHBondContact NH2-OE2 2.79Å
54I89.2Confident75.6Confident130 Ų13094.1 Ų94.167%0.66750%0.498SS*.  trans-97.8-21.7178.661.6164.4000112.5N52 L112 E118N52-I54 PolarHBondContact O-N 2.73Å; I54-L112 HydrophobicContact CD1-CD1 3.8Å; I54-L112 HydrophobicContact CD1-CD2 3.95Å; I54-L112 HydrophobicContact CG1-CD1 4.14Å; I54-L112 HydrophobicContact CG1-CD2 4.3Å; I54-E118 VanDerWaalsContact CG1-OE1 3.22Å; I54-E118 WeakPolarHBondContact CG1-OE1 3.35Å; I54-E118 PolarHBondContact N-OE1 2.69Å
55T92.6Very high78.2Confident32 Ų3290.1 Ų90.120%0.19649%0.485CS..SBendtrans-76159.8-17769.30000112.4R110 L112 E118 W120T55-R110 WeakPolarHBondContact OG1-CD 3.33Å; T55-R110 PolarHBondContact OG1-NH1 3.47Å; T55-L112 HydrophobicContact CG2-CD2 3.86Å; T55-E118 VanDerWaalsContact CB-OE2 3.3Å; T55-E118 WeakPolarHBondContact CB-OE2 3.47Å; T55-E118 VanDerWaalsContact CG2-OE2 3.29Å; T55-E118 WeakPolarHBondContact CG2-OE2 3.37Å; T55-E118 PolarHBondContact N-OE2 3.44Å; T55-E118 PolarHBondContact OG1-OE2 3Å; T55-W120 WeakPolarHBondContact OG1-CZ2 3.07Å; T55-W120 PolarHBondContact OG1-NE1 2.87Å
56S93Very high80.9Confident63 Ų6386 Ų8644%0.44146%0.464SS..  trans-65.5136.4-174.1176.10000112.6F58 R110S56-F58 PolarHBondContact O-N 3Å; S56-F58 WeakPolarHBondContact OG-CD2 3.21Å; S56-F58 PolarHBondContact OG-N 3.44Å; S56-R110 PolarHBondContact O-NH1 2.77Å
57P93.6Very high83.3Confident67 Ų6779.3 Ų79.344%0.43543%0.433SS..SBendtrans-71.63.8175.432.4-37.3000113.8W120 T126P57-W120 HydrophobicContact CB-CH2 4.32Å; P57-W120 HydrophobicContact CB-CZ3 4.34Å; P57-T126 PolarHBondContact O-N 3.48Å
58F95.5Very high85.7Confident99 Ų9976 Ų7643%0.43440%0.402SS..BIsolated β-bridgetrans-94.1137.8176.3-64.4-80.1000111S56 R110 T126 T128S56-F58 PolarHBondContact O-N 3Å; S56-F58 WeakPolarHBondContact OG-CD2 3.21Å; S56-F58 PolarHBondContact OG-N 3.44Å; F58-R110 PolarHBondContact O-NH2 3.32Å; F58-T126 WeakPolarHBondContact CA-O 3.3Å; F58-T126 HydrophobicContact CD1-CG2 3.91Å; F58-T126 HydrophobicContact CE1-CG2 3.83Å; F58-T128 HydrophobicContact CD1-CG2 3.56Å; F58-T128 HydrophobicContact CE1-CG2 3.76Å
59M95.4Very high88.1Confident12 Ų1270.5 Ų70.56%0.05938%0.383CS..PPolyproline II helixtrans-70.5129.9171.7-173.7172.1-73.500109.6E63 R64 M99 I108 V122 L125 T126 I127M59-E63 HydrophobicContact CG-CB 3.81Å; M59-R64 HydrophobicContact CG-CB 4.18Å; M59-R64 HydrophobicContact SD-CB 3.77Å; M59-R64 HydrophobicContact SD-CG 4.25Å; M59-M99 HydrophobicContact SD-CE 4.21Å; M59-I108 HydrophobicContact CE-CD1 3.87Å; M59-V122 HydrophobicContact CE-CB 4.33Å; M59-V122 HydrophobicContact CE-CG1 3.95Å; M59-V122 HydrophobicContact CE-CG2 4.12Å; M59-L125 HydrophobicContact CB-CB 4.04Å; M59-L125 HydrophobicContact CB-CD1 4.39Å; M59-L125 HydrophobicContact CE-CB 4.03Å; M59-L125 HydrophobicContact CE-CD1 3.87Å; M59-T126 PolarHBondContact N-O 3.33Å; M59-I127 HydrophobicContact CB-CG1 4.11Å; M59-I127 HydrophobicContact CE-CD1 4.47Å; M59-I127 HydrophobicContact CE-CG1 4.38Å; M59-I127 HydrophobicContact SD-CD1 4.17Å; M59-I127 HydrophobicContact SD-CG1 3.96Å
60T95.4Very high90.2Very high57 Ų5770.4 Ų70.435%0.3538%0.378SS..PPolyproline II helixtrans-75.2155.9174.975.40000110.7Y62 E63 R64T60-Y62 PolarHBondContact O-N 3.25Å; T60-E63 PolarHBondContact N-OE2 3.45Å; T60-E63 PolarHBondContact O-N 3.2Å; T60-E63 VanDerWaalsContact OG1-CG 3.25Å; T60-E63 WeakPolarHBondContact OG1-CG 3.37Å; T60-E63 PolarHBondContact OG1-N 3.4Å; T60-E63 VanDerWaalsContact OG1-N 3.16Å; T60-E63 PolarHBondContact OG1-OE2 3.02Å; T60-R64 PolarHBondContact O-N 3.32Å
61K95.4Very high92.2Very high134 Ų13467.2 Ų67.258%0.58335%0.354SS*.Hα-helixtrans-58-30175.664.9179.3-177174.40113.1A65K61-A65 WeakPolarHBondContact O-CB 3.4Å; K61-A65 PolarHBondContact O-N 2.92Å; K61-A65 VanDerWaalsContact O-N 3.12Å
62Y95.7Very high93.8Very high155 Ų15562.3 Ų62.361%0.60833%0.326SS*.Hα-helixtrans-74.6-45.3179.2-54.4-66.6000111.4T60 R64 A65 R66T60-Y62 PolarHBondContact O-N 3.25Å; Y62-R64 VanDerWaalsContact C-N 3.32Å; Y62-R64 PolarHBondContact O-N 3.01Å; Y62-A65 PolarHBondContact O-N 3.41Å; Y62-R66 WeakPolarHBondContact O-CB 3.45Å; Y62-R66 PolarHBondContact O-N 2.98Å
63E95.7Very high94.8Very high6 Ų660.2 Ų60.23%0.02831%0.314CS..Hα-helixtrans-58.4-47.1173.6-72.4164.1173.900110.7I35 M59 T60 A65 R66 V67 I108 R110I35-E63 HydrophobicContact CD1-CG 4.01Å; M59-E63 HydrophobicContact CG-CB 3.81Å; T60-E63 PolarHBondContact N-OE2 3.45Å; T60-E63 PolarHBondContact O-N 3.2Å; T60-E63 VanDerWaalsContact OG1-CG 3.25Å; T60-E63 WeakPolarHBondContact OG1-CG 3.37Å; T60-E63 PolarHBondContact OG1-N 3.4Å; T60-E63 VanDerWaalsContact OG1-N 3.16Å; T60-E63 PolarHBondContact OG1-OE2 3.02Å; E63-A65 PolarHBondContact O-N 3.27Å; E63-R66 PolarHBondContact O-N 3.49Å; E63-V67 WeakPolarHBondContact O-CB 3.45Å; E63-V67 WeakPolarHBondContact O-CG2 3.33Å; E63-V67 PolarHBondContact O-N 3.42Å; E63-I108 HydrophobicContact CB-CD1 3.89Å; E63-I108 HydrophobicContact CG-CD1 4.17Å; E63-I108 HydrophobicContact CG-CG2 3.94Å; E63-R110 IonicContact OE1-CZ 3.82Å; E63-R110 IonicContact OE1-NE 2.84Å; E63-R110 PolarHBondContact OE1-NE 2.86Å; E63-R110 IonicContact OE1-NH2 3.76Å; E63-R110 PolarHBondContact OE1-NH2 2.83Å; E63-R110 IonicContact OE2-CZ 3.18Å; E63-R110 IonicContact OE2-NE 2.69Å; E63-R110 IonicContact OE2-NH2 3.96Å; E63-R110 PolarHBondContact OE2-NH2 2.92Å
64R94.8Very high95.5Very high45 Ų4560.1 Ų60.117%0.1732%0.317CS..Hα-helixtrans-56.8-50.7177.9-173.7-176.259.8169.7-7.1111.7M59 T60 Y62 R66 V67 L68 M99 D129M59-R64 HydrophobicContact CG-CB 4.18Å; M59-R64 HydrophobicContact SD-CB 3.77Å; M59-R64 HydrophobicContact SD-CG 4.25Å; T60-R64 PolarHBondContact O-N 3.32Å; Y62-R64 VanDerWaalsContact C-N 3.32Å; Y62-R64 PolarHBondContact O-N 3.01Å; R64-R66 VanDerWaalsContact C-N 3.34Å; R64-R66 PolarHBondContact O-N 2.96Å; R64-V67 PolarHBondContact O-N 2.78Å; R64-L68 HydrophobicContact CG-CD1 4.19Å; R64-L68 WeakPolarHBondContact O-CB 3.4Å; R64-L68 WeakPolarHBondContact O-CG 3.49Å; R64-L68 PolarHBondContact O-N 2.91Å; R64-M99 HydrophobicContact CG-CE 4.11Å; R64-M99 HydrophobicContact CG-SD 3.63Å; R64-D129 IonicContact CZ-OD1 3.24Å; R64-D129 VanDerWaalsContact CZ-OD1 3.24Å; R64-D129 VanDerWaalsContact NH1-CB 3.32Å; R64-D129 PolarHBondContact NH1-O 3.49Å; R64-D129 IonicContact NH1-OD1 3.4Å; R64-D129 PolarHBondContact NH1-OD1 3.46Å; R64-D129 IonicContact NH2-OD1 2.78Å; R64-D129 PolarHBondContact NH2-OD1 2.98Å
65A95.8Very high95.9Very high62 Ų6254.7 Ų54.751%0.51229%0.289SS..Hα-helixtrans-60.5-44.5179.500000111.5K61 Y62 E63 L68 G69K61-A65 WeakPolarHBondContact O-CB 3.4Å; K61-A65 PolarHBondContact O-N 2.92Å; K61-A65 VanDerWaalsContact O-N 3.12Å; Y62-A65 PolarHBondContact O-N 3.41Å; E63-A65 PolarHBondContact O-N 3.27Å; A65-L68 PolarHBondContact O-N 3.18Å; A65-G69 PolarHBondContact O-N 2.87Å
66R96.3Very high96.1Very high105 Ų10556.4 Ų56.440%0.39631%0.307SS..Hα-helixtrans-68.6-40.6-178.6-161.8177.8175164.8-11.5112.5I35 I37 Y62 E63 R64 G69 T70I35-R66 PolarHBondContact O-NH1 3.38Å; I35-R66 PolarHBondContact O-NH2 2.83Å; I37-R66 HydrophobicContact CD1-CB 4.26Å; I37-R66 HydrophobicContact CD1-CG 3.66Å; Y62-R66 WeakPolarHBondContact O-CB 3.45Å; Y62-R66 PolarHBondContact O-N 2.98Å; E63-R66 PolarHBondContact O-N 3.49Å; R64-R66 VanDerWaalsContact C-N 3.34Å; R64-R66 PolarHBondContact O-N 2.96Å; R66-G69 PolarHBondContact O-N 2.79Å; R66-T70 VanDerWaalsContact O-CB 3.29Å; R66-T70 WeakPolarHBondContact O-CB 3.36Å; R66-T70 PolarHBondContact O-N 2.98Å; R66-T70 PolarHBondContact O-OG1 3.12Å
67V96.6Very high96.3Very high0 Ų060.7 Ų60.70%032%0.321CS..Hα-helixtrans-65.1-45.1176.3171.70000110.6I37 E63 R64 R71 M99 I104 I106 I108 V122I37-V67 HydrophobicContact CD1-CG2 4.38Å; E63-V67 WeakPolarHBondContact O-CB 3.45Å; E63-V67 WeakPolarHBondContact O-CG2 3.33Å; E63-V67 PolarHBondContact O-N 3.42Å; R64-V67 PolarHBondContact O-N 2.78Å; V67-R71 WeakPolarHBondContact O-CB 3.43Å; V67-R71 PolarHBondContact O-N 3.36Å; V67-M99 HydrophobicContact CB-CE 3.78Å; V67-M99 HydrophobicContact CG1-CE 3.5Å; V67-I104 HydrophobicContact CG1-CD1 3.89Å; V67-I104 HydrophobicContact CG1-CG2 3.96Å; V67-I106 HydrophobicContact CG1-CD1 4.26Å; V67-I106 HydrophobicContact CG1-CG2 4.48Å; V67-I106 HydrophobicContact CG2-CG2 4.07Å; V67-I108 HydrophobicContact CG2-CD1 3.89Å; V67-I108 HydrophobicContact CG2-CG1 3.95Å; V67-V122 HydrophobicContact CG1-CG1 4.45Å; V67-V122 HydrophobicContact CG1-CG2 3.91Å; V67-V122 HydrophobicContact CG2-CG2 3.97Å
68L96.7Very high96.4Very high25 Ų2560.7 Ų60.713%0.13133%0.334CS..Hα-helixtrans-60.7-47.9175.5-76.7171.6000111.8R64 A65 R71 A72 L92 A95 R96 M99R64-L68 HydrophobicContact CG-CD1 4.19Å; R64-L68 WeakPolarHBondContact O-CB 3.4Å; R64-L68 WeakPolarHBondContact O-CG 3.49Å; R64-L68 PolarHBondContact O-N 2.91Å; A65-L68 PolarHBondContact O-N 3.18Å; L68-R71 PolarHBondContact O-N 3.14Å; L68-A72 WeakPolarHBondContact O-CB 3.33Å; L68-A72 PolarHBondContact O-N 3.36Å; L68-L92 HydrophobicContact CB-CD1 4.35Å; L68-A95 HydrophobicContact CD2-CB 4.25Å; L68-R96 HydrophobicContact CD2-CB 4.27Å; L68-M99 HydrophobicContact CD1-SD 3.96Å; L68-M99 HydrophobicContact CD2-CB 3.99Å; L68-M99 HydrophobicContact CD2-CE 4.01Å; L68-M99 HydrophobicContact CD2-SD 3.72Å; L68-M99 HydrophobicContact CG-CE 3.7Å; L68-M99 HydrophobicContact CG-SD 3.65Å
69G96.9Very high96.4Very high39 Ų3957.4 Ų57.440%0.40233%0.325SS..Hα-helixtrans-61.9-47.4179.100000112.4A65 R66 R71 A72 L73A65-G69 PolarHBondContact O-N 2.87Å; R66-G69 PolarHBondContact O-N 2.79Å; G69-R71 VanDerWaalsContact C-N 3.33Å; G69-R71 PolarHBondContact O-N 2.65Å; G69-A72 PolarHBondContact O-N 3.08Å; G69-L73 WeakPolarHBondContact O-CB 3.44Å; G69-L73 PolarHBondContact O-N 3.39Å
70T97.5Very high96.5Very high40 Ų4061.6 Ų61.625%0.24535%0.353CS..Hα-helixtrans-62.3-43.1178-54.90000111I37 R66 L73 Q74 I106I37-T70 HydrophobicContact CD1-CG2 4.4Å; I37-T70 WeakPolarHBondContact CD1-OG1 3.35Å; I37-T70 HydrophobicContact CG2-CG2 4.12Å; R66-T70 VanDerWaalsContact O-CB 3.29Å; R66-T70 WeakPolarHBondContact O-CB 3.36Å; R66-T70 PolarHBondContact O-N 2.98Å; R66-T70 PolarHBondContact O-OG1 3.12Å; T70-L73 PolarHBondContact O-N 3.46Å; T70-Q74 WeakPolarHBondContact O-CG 3.22Å; T70-Q74 PolarHBondContact O-N 2.83Å; T70-I106 HydrophobicContact CG2-CD1 4.26Å
71R97.5Very high96.5Very high6 Ų661.8 Ų61.82%0.02335%0.351CS..Hα-helixtrans-70.3-41.1-179-173.655.2176.51609.6112.3V67 L68 G69 L73 Q74 I75 P80 A95 E98 I104 I106V67-R71 WeakPolarHBondContact O-CB 3.43Å; V67-R71 PolarHBondContact O-N 3.36Å; L68-R71 PolarHBondContact O-N 3.14Å; G69-R71 VanDerWaalsContact C-N 3.33Å; G69-R71 PolarHBondContact O-N 2.65Å; R71-L73 VanDerWaalsContact C-N 3.3Å; R71-L73 PolarHBondContact O-N 3.48Å; R71-Q74 PolarHBondContact O-N 3.47Å; R71-I75 HydrophobicContact CG-CD1 4.03Å; R71-I75 WeakPolarHBondContact O-CG1 3.29Å; R71-I75 PolarHBondContact O-N 2.98Å; R71-P80 PolarHBondContact NH2-O 2.97Å; R71-A95 HydrophobicContact CB-CB 4.09Å; R71-A95 HydrophobicContact CG-CB 4Å; R71-E98 IonicContact CZ-OE1 3.24Å; R71-E98 IonicContact CZ-OE2 2.79Å; R71-E98 VanDerWaalsContact CZ-OE2 3.24Å; R71-E98 IonicContact NE-OE1 2.64Å; R71-E98 IonicContact NE-OE2 2.81Å; R71-E98 PolarHBondContact NE-OE2 2.65Å; R71-E98 VanDerWaalsContact NH2-CD 3.31Å; R71-E98 IonicContact NH2-OE1 3Å; R71-E98 PolarHBondContact NH2-OE1 2.74Å; R71-E98 IonicContact NH2-OE2 3.75Å; R71-E98 PolarHBondContact NH2-OE2 2.9Å; R71-I104 HydrophobicContact CB-CD1 4.32Å; R71-I104 HydrophobicContact CB-CG2 4.24Å; R71-I104 HydrophobicContact CG-CD1 4.15Å; R71-I104 HydrophobicContact CG-CG1 4.26Å; R71-I104 HydrophobicContact CG-CG2 4.03Å; R71-I106 HydrophobicContact CB-CD1 4.22Å
72A97.4Very high96.4Very high13 Ų1359.4 Ų59.411%0.10734%0.343CS..Hα-helixtrans-59.2-43.2174.200000111L68 G69 I75 A76 P91 L92 A95L68-A72 WeakPolarHBondContact O-CB 3.33Å; L68-A72 PolarHBondContact O-N 3.36Å; G69-A72 PolarHBondContact O-N 3.08Å; A72-I75 PolarHBondContact O-N 3.25Å; A72-A76 WeakPolarHBondContact O-CB 3.36Å; A72-A76 PolarHBondContact O-N 2.95Å; A72-P91 HydrophobicContact CB-CB 4.4Å; A72-P91 WeakPolarHBondContact O-CB 3.39Å; A72-L92 HydrophobicContact CB-CB 4.29Å; A72-L92 HydrophobicContact CB-CD1 4.2Å; A72-A95 HydrophobicContact CB-CB 4.09Å
73L97.7Very high96.4Very high108 Ų10853.3 Ų53.357%0.56532%0.322SS*.Hα-helixtrans-61.1-46.4175.1178.761000112G69 T70 R71 I75 A76 M77G69-L73 WeakPolarHBondContact O-CB 3.44Å; G69-L73 PolarHBondContact O-N 3.39Å; T70-L73 PolarHBondContact O-N 3.46Å; R71-L73 VanDerWaalsContact C-N 3.3Å; R71-L73 PolarHBondContact O-N 3.48Å; L73-I75 VanDerWaalsContact C-N 3.33Å; L73-I75 PolarHBondContact O-N 3.43Å; L73-A76 WeakPolarHBondContact O-CB 3.17Å; L73-A76 PolarHBondContact O-N 3.35Å; L73-M77 HydrophobicContact CD1-CG 4.4Å; L73-M77 HydrophobicContact CD1-SD 4.27Å; L73-M77 HydrophobicContact CG-SD 4.22Å; L73-M77 WeakPolarHBondContact O-CG 3.19Å; L73-M77 PolarHBondContact O-N 3.12Å
74Q97.9Very high96.2Very high65 Ų6561.2 Ų61.230%0.30436%0.359SS..Hα-helixtrans-58-44.9176.6-71.8172.4-0.800111.9T70 R71 A76 M77 G78 A79T70-Q74 WeakPolarHBondContact O-CG 3.22Å; T70-Q74 PolarHBondContact O-N 2.83Å; R71-Q74 PolarHBondContact O-N 3.47Å; Q74-A76 VanDerWaalsContact C-N 3.34Å; Q74-M77 CarbonylContact O-C 3.56Å; Q74-M77 PolarHBondContact O-N 3.47Å; Q74-G78 PolarHBondContact O-N 3Å; Q74-A79 HydrophobicContact CB-CB 3.93Å; Q74-A79 WeakPolarHBondContact O-CB 3.45Å; Q74-A79 PolarHBondContact O-N 2.64Å
75I97.2Very high96Very high16 Ų1663.2 Ų63.28%0.08237%0.372CS..Hα-helixtrans-62.2-43.4177.4-67.8162.1000110.4R71 A72 L73 M77 G78 I81 P91 I94 A95R71-I75 HydrophobicContact CG-CD1 4.03Å; R71-I75 WeakPolarHBondContact O-CG1 3.29Å; R71-I75 PolarHBondContact O-N 2.98Å; A72-I75 PolarHBondContact O-N 3.25Å; L73-I75 VanDerWaalsContact C-N 3.33Å; L73-I75 PolarHBondContact O-N 3.43Å; I75-M77 PolarHBondContact O-N 2.78Å; I75-G78 PolarHBondContact O-N 2.81Å; I75-I81 HydrophobicContact CG1-CG1 4.48Å; I75-I81 HydrophobicContact CG2-CD1 4.29Å; I75-I81 HydrophobicContact CG2-CG1 4.36Å; I75-P91 HydrophobicContact CB-CB 4.27Å; I75-P91 HydrophobicContact CG2-CB 4.06Å; I75-I94 HydrophobicContact CD1-CB 4.12Å; I75-I94 HydrophobicContact CD1-CG2 3.74Å; I75-I94 HydrophobicContact CG2-CD1 4.15Å; I75-I94 HydrophobicContact CG2-CG2 4.42Å; I75-A95 HydrophobicContact CD1-CB 4.04Å
76A97Very high95.6Very high68 Ų6868 Ų6856%0.56238%0.384SS*.Hα-helixtrans-60.3-32176.500000112.5A72 L73 Q74 G78 P91A72-A76 WeakPolarHBondContact O-CB 3.36Å; A72-A76 PolarHBondContact O-N 2.95Å; L73-A76 WeakPolarHBondContact O-CB 3.17Å; L73-A76 PolarHBondContact O-N 3.35Å; Q74-A76 VanDerWaalsContact C-N 3.34Å; A76-G78 PolarHBondContact O-N 2.87Å; A76-P91 HydrophobicContact CB-CB 4.22Å; A76-P91 HydrophobicContact CB-CG 3.96Å
77M97.3Very high95.2Very high152 Ų15267.2 Ų67.275%0.74940%0.4SS*.THydrogen-bonded Turntrans-81.68.5174.2-62.6178.282.500113.8L73 Q74 I75L73-M77 HydrophobicContact CD1-CG 4.4Å; L73-M77 HydrophobicContact CD1-SD 4.27Å; L73-M77 HydrophobicContact CG-SD 4.22Å; L73-M77 WeakPolarHBondContact O-CG 3.19Å; L73-M77 PolarHBondContact O-N 3.12Å; Q74-M77 CarbonylContact O-C 3.56Å; Q74-M77 PolarHBondContact O-N 3.47Å; I75-M77 PolarHBondContact O-N 2.78Å
78G94.6Very high94.9Very high68 Ų6869.8 Ų69.870%0.70141%0.412SS*.THydrogen-bonded Turntrans81.520.9177.500000114.7Q74 I75 A76Q74-G78 PolarHBondContact O-N 3Å; I75-G78 PolarHBondContact O-N 2.81Å; A76-G78 PolarHBondContact O-N 2.87Å
79A96.5Very high94.6Very high30 Ų3075 Ų7525%0.24845%0.445CS..PPolyproline II helixtrans-64.2150.7173.400000111.7Q74 I81Q74-A79 HydrophobicContact CB-CB 3.93Å; Q74-A79 WeakPolarHBondContact O-CB 3.45Å; Q74-A79 PolarHBondContact O-N 2.64Å; A79-I81 PolarHBondContact O-N 3.17Å
80P96.2Very high94.6Very high99 Ų9976.5 Ų76.564%0.64344%0.444SS*.PPolyproline II helixtrans-61136.4178.4-23.233.8000113R71R71-P80 PolarHBondContact NH2-O 2.97Å
81I95.6Very high94.6Very high61 Ų6176.3 Ų76.331%0.31344%0.443SS..PPolyproline II helixtrans-92.8136.5179.3-57.2168.2000109.3I75 A79 V83 L85 I94 E98I75-I81 HydrophobicContact CG1-CG1 4.48Å; I75-I81 HydrophobicContact CG2-CD1 4.29Å; I75-I81 HydrophobicContact CG2-CG1 4.36Å; A79-I81 PolarHBondContact O-N 3.17Å; I81-V83 HydrophobicContact CG2-CG2 3.98Å; I81-V83 WeakPolarHBondContact CG2-O 3.26Å; I81-L85 HydrophobicContact CD1-CD1 3.52Å; I81-L85 HydrophobicContact CD1-CD2 4.19Å; I81-L85 HydrophobicContact CD1-CG 4.21Å; I81-L85 HydrophobicContact CG2-CD2 4.12Å; I81-L85 HydrophobicContact CG2-CG 4.42Å; I81-I94 HydrophobicContact CD1-CD1 4.32Å; I81-I94 HydrophobicContact CD1-CG2 4.17Å; I81-I94 HydrophobicContact CG1-CG2 4.32Å; I81-I94 HydrophobicContact CG2-CG2 3.71Å; I81-E98 WeakPolarHBondContact CA-OE1 3.43Å; I81-E98 WeakPolarHBondContact CG2-OE1 3.25Å
82M94.5Very high94.5Very high85 Ų8579.4 Ų79.442%0.41946%0.46SS..SBendtrans-100.31.1-172.7-61.2-59.4-17400114.2E98 R103 P105M82-E98 PolarHBondContact N-OE1 3.5Å; M82-R103 HydrophobicContact CB-CB 3.98Å; M82-P105 HydrophobicContact CE-CG 4.15Å
83V93.7Very high94.4Very high27 Ų2782.4 Ų82.416%0.16447%0.472CS..SBendtrans-127.4159.7177.4-66.30000111.1I81 K97 E98 A101 R103I81-V83 HydrophobicContact CG2-CG2 3.98Å; I81-V83 WeakPolarHBondContact CG2-O 3.26Å; V83-K97 HydrophobicContact CG2-CB 4.38Å; V83-K97 HydrophobicContact CG2-CD 4.38Å; V83-K97 HydrophobicContact CG2-CG 4.21Å; V83-E98 HydrophobicContact CB-CG 4.25Å; V83-E98 HydrophobicContact CG1-CB 4.38Å; V83-E98 HydrophobicContact CG1-CG 3.9Å; V83-E98 HydrophobicContact CG2-CG 3.49Å; V83-E98 VanDerWaalsContact CG2-CG 3.49Å; V83-A101 HydrophobicContact CG1-CB 3.71Å; V83-R103 HydrophobicContact CG1-CB 4.29Å; V83-R103 HydrophobicContact CG1-CG 4.42Å
84E92.9Very high94.4Very high171 Ų17177.6 Ų77.680%0.79945%0.447SS*.  trans-73.1128.6174.9-65.4177.8-177.800110.6K97E84-K97 WeakPolarHBondContact O-CE 3.46Å; E84-K97 PolarHBondContact O-NZ 2.95Å
85L90.2Very high94.3Very high87 Ų8774.5 Ų74.546%0.45543%0.432SS..  trans-86.1131.8174.4-61.5178.1000109.4I81 I94I81-L85 HydrophobicContact CD1-CD1 3.52Å; I81-L85 HydrophobicContact CD1-CD2 4.19Å; I81-L85 HydrophobicContact CD1-CG 4.21Å; I81-L85 HydrophobicContact CG2-CD2 4.12Å; I81-L85 HydrophobicContact CG2-CG 4.42Å; L85-I94 HydrophobicContact CD2-CB 4.39Å; L85-I94 HydrophobicContact CD2-CD1 3.93Å; L85-I94 HydrophobicContact CD2-CG1 3.74Å; L85-I94 HydrophobicContact CD2-CG2 3.79Å
86E87.8Confident94.2Very high162 Ų16276.6 Ų76.676%0.75744%0.439SS*.SBendtrans-102.7-60.7175.4-73.7167.2-129.200110.2E88 K97E86-E88 PolarHBondContact N-OE2 3.5Å; E86-K97 IonicContact OE1-NZ 2.89Å; E86-K97 PolarHBondContact OE1-NZ 3.04Å
87A87.5Confident94.1Very high89 Ų8975.4 Ų75.474%0.73642%0.421SS*.SBendtrans-147.55-178.800000112.6T89A87-T89 PolarHBondContact O-N 3.35Å
88E89.8Confident94Very high54 Ų5468.2 Ų68.225%0.25239%0.386SS..  trans-77.8116.9-176.8-56.286.1165.700110.2E86 E93 I94 K97E86-E88 PolarHBondContact N-OE2 3.5Å; E88-E93 HydrophobicContact CB-CB 4.5Å; E88-I94 HydrophobicContact CB-CG1 3.87Å; E88-K97 IonicContact OE1-NZ 2.87Å; E88-K97 PolarHBondContact OE1-NZ 2.9Å; E88-K97 IonicContact OE2-NZ 3.42Å; E88-K97 PolarHBondContact OE2-NZ 2.95Å
89T91.6Very high94Very high134 Ų13465 Ų6582%0.82235%0.353SS*.  trans-103-24173.8530000112.5A87A87-T89 PolarHBondContact O-N 3.35Å
90D96Very high93.8Very high72 Ų7270.2 Ų70.239%0.38537%0.366SS..SBendtrans-75.3124.2-179.5174.848.9000111.3L92 E93 I94D90-L92 PolarHBondContact O-N 3.39Å; D90-L92 WeakPolarHBondContact OD2-CB 3.5Å; D90-L92 PolarHBondContact OD2-N 3.27Å; D90-E93 HydrophobicContact CB-CB 4.2Å; D90-E93 HydrophobicContact CB-CG 4.07Å; D90-E93 PolarHBondContact O-N 2.76Å; D90-E93 WeakPolarHBondContact OD2-CG 3.41Å; D90-E93 PolarHBondContact OD2-N 2.98Å; D90-I94 VanDerWaalsContact O-CG1 3.31Å; D90-I94 WeakPolarHBondContact O-CG1 3.37Å; D90-I94 PolarHBondContact O-N 3.39Å
91P96.7Very high93.7Very high35 Ų3568 Ų6823%0.22736%0.356CS..Hα-helixtrans-57.6-32.9179.9-26.234.8000114A72 I75 A76 I94 A95A72-P91 HydrophobicContact CB-CB 4.4Å; A72-P91 WeakPolarHBondContact O-CB 3.39Å; I75-P91 HydrophobicContact CB-CB 4.27Å; I75-P91 HydrophobicContact CG2-CB 4.06Å; A76-P91 HydrophobicContact CB-CB 4.22Å; A76-P91 HydrophobicContact CB-CG 3.96Å; P91-I94 PolarHBondContact O-N 2.98Å; P91-A95 WeakPolarHBondContact O-CB 3.37Å; P91-A95 PolarHBondContact O-N 3.08Å
92L96.4Very high93.6Very high71 Ų7169.2 Ų69.237%0.37236%0.36SS..Hα-helixtrans-72.8-42.6179.8179.665.5000111.6L68 A72 D90 I94 A95 R96L68-L92 HydrophobicContact CB-CD1 4.35Å; A72-L92 HydrophobicContact CB-CB 4.29Å; A72-L92 HydrophobicContact CB-CD1 4.2Å; D90-L92 PolarHBondContact O-N 3.39Å; D90-L92 WeakPolarHBondContact OD2-CB 3.5Å; D90-L92 PolarHBondContact OD2-N 3.27Å; L92-I94 VanDerWaalsContact C-N 3.31Å; L92-I94 PolarHBondContact O-N 2.93Å; L92-A95 PolarHBondContact O-N 2.65Å; L92-R96 WeakPolarHBondContact O-CB 3.34Å; L92-R96 PolarHBondContact O-N 2.96Å
93E95.5Very high93.5Very high76 Ų7672.5 Ų72.536%0.35537%0.368SS..Hα-helixtrans-59-42.4171.3-69.1-54.1133.400111.9E88 D90 R96 K97E88-E93 HydrophobicContact CB-CB 4.5Å; D90-E93 HydrophobicContact CB-CB 4.2Å; D90-E93 HydrophobicContact CB-CG 4.07Å; D90-E93 PolarHBondContact O-N 2.76Å; D90-E93 WeakPolarHBondContact OD2-CG 3.41Å; D90-E93 PolarHBondContact OD2-N 2.98Å; E93-R96 PolarHBondContact O-N 2.83Å; E93-R96 IonicContact OE1-CZ 3.26Å; E93-R96 VanDerWaalsContact OE1-CZ 3.26Å; E93-R96 IonicContact OE1-NH1 2.61Å; E93-R96 PolarHBondContact OE1-NH1 2.82Å; E93-R96 IonicContact OE1-NH2 3.16Å; E93-R96 PolarHBondContact OE1-NH2 3.27Å; E93-R96 VanDerWaalsContact OE1-NH2 3.16Å; E93-R96 IonicContact OE2-CZ 3.76Å; E93-R96 IonicContact OE2-NH1 2.79Å; E93-R96 PolarHBondContact OE2-NH1 2.84Å; E93-K97 PolarHBondContact O-N 3.25Å
94I96.5Very high93.6Very high7 Ų771.5 Ų71.54%0.03636%0.362CS..Hα-helixtrans-62.7-46.8176.6-60.7167.1000110.5I75 I81 L85 E88 D90 P91 L92 R96 K97 E98I75-I94 HydrophobicContact CD1-CB 4.12Å; I75-I94 HydrophobicContact CD1-CG2 3.74Å; I75-I94 HydrophobicContact CG2-CD1 4.15Å; I75-I94 HydrophobicContact CG2-CG2 4.42Å; I81-I94 HydrophobicContact CD1-CD1 4.32Å; I81-I94 HydrophobicContact CD1-CG2 4.17Å; I81-I94 HydrophobicContact CG1-CG2 4.32Å; I81-I94 HydrophobicContact CG2-CG2 3.71Å; L85-I94 HydrophobicContact CD2-CB 4.39Å; L85-I94 HydrophobicContact CD2-CD1 3.93Å; L85-I94 HydrophobicContact CD2-CG1 3.74Å; L85-I94 HydrophobicContact CD2-CG2 3.79Å; E88-I94 HydrophobicContact CB-CG1 3.87Å; D90-I94 VanDerWaalsContact O-CG1 3.31Å; D90-I94 WeakPolarHBondContact O-CG1 3.37Å; D90-I94 PolarHBondContact O-N 3.39Å; P91-I94 PolarHBondContact O-N 2.98Å; L92-I94 VanDerWaalsContact C-N 3.31Å; L92-I94 PolarHBondContact O-N 2.93Å; I94-R96 VanDerWaalsContact C-N 3.28Å; I94-R96 PolarHBondContact O-N 2.91Å; I94-K97 WeakPolarHBondContact O-CB 3.48Å; I94-K97 PolarHBondContact O-N 2.89Å; I94-K97 VanDerWaalsContact O-N 3.14Å; I94-E98 PolarHBondContact O-N 2.96Å
95A96.4Very high93.7Very high0 Ų065 Ų650%033%0.334CS..Hα-helixtrans-60-38.617600000112L68 R71 A72 I75 P91 L92 E98 M99L68-A95 HydrophobicContact CD2-CB 4.25Å; R71-A95 HydrophobicContact CB-CB 4.09Å; R71-A95 HydrophobicContact CG-CB 4Å; A72-A95 HydrophobicContact CB-CB 4.09Å; I75-A95 HydrophobicContact CD1-CB 4.04Å; P91-A95 WeakPolarHBondContact O-CB 3.37Å; P91-A95 PolarHBondContact O-N 3.08Å; L92-A95 PolarHBondContact O-N 2.65Å; A95-E98 PolarHBondContact O-N 3.01Å; A95-M99 WeakPolarHBondContact O-CB 3.41Å; A95-M99 PolarHBondContact O-N 3.16Å
96R94.8Very high94Very high61 Ų6161.1 Ų61.123%0.2331%0.314CS..Hα-helixtrans-66.1-38.7175.8-161.6-176.3-57.4134.33.3111.8L68 L92 E93 I94 M99 R100L68-R96 HydrophobicContact CD2-CB 4.27Å; L92-R96 WeakPolarHBondContact O-CB 3.34Å; L92-R96 PolarHBondContact O-N 2.96Å; E93-R96 PolarHBondContact O-N 2.83Å; E93-R96 IonicContact OE1-CZ 3.26Å; E93-R96 VanDerWaalsContact OE1-CZ 3.26Å; E93-R96 IonicContact OE1-NH1 2.61Å; E93-R96 PolarHBondContact OE1-NH1 2.82Å; E93-R96 IonicContact OE1-NH2 3.16Å; E93-R96 PolarHBondContact OE1-NH2 3.27Å; E93-R96 VanDerWaalsContact OE1-NH2 3.16Å; E93-R96 IonicContact OE2-CZ 3.76Å; E93-R96 IonicContact OE2-NH1 2.79Å; E93-R96 PolarHBondContact OE2-NH1 2.84Å; I94-R96 VanDerWaalsContact C-N 3.28Å; I94-R96 PolarHBondContact O-N 2.91Å; R96-M99 PolarHBondContact O-N 2.99Å; R96-R100 WeakPolarHBondContact O-CG 3.24Å; R96-R100 PolarHBondContact O-N 3.38Å
97K94.7Very high94.3Very high43 Ų4355.5 Ų55.519%0.18729%0.288CS..Hα-helixtrans-63.5-44.1174.1-165.1173.2-170.8171.90111.1V83 E84 E86 E88 E93 I94 M99 R100 A101V83-K97 HydrophobicContact CG2-CB 4.38Å; V83-K97 HydrophobicContact CG2-CD 4.38Å; V83-K97 HydrophobicContact CG2-CG 4.21Å; E84-K97 WeakPolarHBondContact O-CE 3.46Å; E84-K97 PolarHBondContact O-NZ 2.95Å; E86-K97 IonicContact OE1-NZ 2.89Å; E86-K97 PolarHBondContact OE1-NZ 3.04Å; E88-K97 IonicContact OE1-NZ 2.87Å; E88-K97 PolarHBondContact OE1-NZ 2.9Å; E88-K97 IonicContact OE2-NZ 3.42Å; E88-K97 PolarHBondContact OE2-NZ 2.95Å; E93-K97 PolarHBondContact O-N 3.25Å; I94-K97 WeakPolarHBondContact O-CB 3.48Å; I94-K97 PolarHBondContact O-N 2.89Å; I94-K97 VanDerWaalsContact O-N 3.14Å; K97-M99 PolarHBondContact O-N 2.94Å; K97-R100 PolarHBondContact O-N 2.94Å; K97-A101 PolarHBondContact O-N 3.43Å; K97-A101 VanDerWaalsContact O-N 3.08Å
98E95.2Very high94.7Very high0 Ų051.3 Ų51.30%025%0.254CS..Hα-helixtrans-63-39.8173.6-72.4-167.2172.500113.3R71 I81 M82 V83 I94 A95 A101 Q102 R103 I104R71-E98 IonicContact CZ-OE1 3.24Å; R71-E98 IonicContact CZ-OE2 2.79Å; R71-E98 VanDerWaalsContact CZ-OE2 3.24Å; R71-E98 IonicContact NE-OE1 2.64Å; R71-E98 IonicContact NE-OE2 2.81Å; R71-E98 PolarHBondContact NE-OE2 2.65Å; R71-E98 VanDerWaalsContact NH2-CD 3.31Å; R71-E98 IonicContact NH2-OE1 3Å; R71-E98 PolarHBondContact NH2-OE1 2.74Å; R71-E98 IonicContact NH2-OE2 3.75Å; R71-E98 PolarHBondContact NH2-OE2 2.9Å; I81-E98 WeakPolarHBondContact CA-OE1 3.43Å; I81-E98 WeakPolarHBondContact CG2-OE1 3.25Å; M82-E98 PolarHBondContact N-OE1 3.5Å; V83-E98 HydrophobicContact CB-CG 4.25Å; V83-E98 HydrophobicContact CG1-CB 4.38Å; V83-E98 HydrophobicContact CG1-CG 3.9Å; V83-E98 HydrophobicContact CG2-CG 3.49Å; V83-E98 VanDerWaalsContact CG2-CG 3.49Å; I94-E98 PolarHBondContact O-N 2.96Å; A95-E98 PolarHBondContact O-N 3.01Å; E98-A101 CarbonylContact O-C 3.59Å; E98-A101 PolarHBondContact O-N 2.93Å; E98-Q102 PolarHBondContact O-N 2.83Å; E98-Q102 VanDerWaalsContact O-N 3.08Å; E98-R103 PolarHBondContact O-N 3.22Å; E98-I104 HydrophobicContact CB-CD1 4.39Å; E98-I104 HydrophobicContact CB-CG1 3.69Å
99M94.8Very high95Very high1 Ų150.8 Ų50.81%0.00525%0.249CC..Hα-helixtrans-63.7-43.6177.2-172.9168.9-92.200111.3M59 R64 V67 L68 A95 R96 K97 A101 Q102 I104 I127 W130M59-M99 HydrophobicContact SD-CE 4.21Å; R64-M99 HydrophobicContact CG-CE 4.11Å; R64-M99 HydrophobicContact CG-SD 3.63Å; V67-M99 HydrophobicContact CB-CE 3.78Å; V67-M99 HydrophobicContact CG1-CE 3.5Å; L68-M99 HydrophobicContact CD1-SD 3.96Å; L68-M99 HydrophobicContact CD2-CB 3.99Å; L68-M99 HydrophobicContact CD2-CE 4.01Å; L68-M99 HydrophobicContact CD2-SD 3.72Å; L68-M99 HydrophobicContact CG-CE 3.7Å; L68-M99 HydrophobicContact CG-SD 3.65Å; A95-M99 WeakPolarHBondContact O-CB 3.41Å; A95-M99 PolarHBondContact O-N 3.16Å; R96-M99 PolarHBondContact O-N 2.99Å; K97-M99 PolarHBondContact O-N 2.94Å; M99-A101 VanDerWaalsContact C-N 3.26Å; M99-A101 PolarHBondContact O-N 2.93Å; M99-Q102 PolarHBondContact O-N 2.78Å; M99-I104 HydrophobicContact CB-CD1 3.62Å; M99-I104 HydrophobicContact CB-CG1 4.48Å; M99-I104 HydrophobicContact CE-CD1 4.07Å; M99-I104 HydrophobicContact CG-CD1 4.25Å; M99-I127 HydrophobicContact CG-CD1 3.52Å; M99-I127 HydrophobicContact SD-CD1 3.98Å; M99-W130 HydrophobicContact CB-CZ3 4.38Å; M99-W130 HydrophobicContact CG-CH2 3.99Å; M99-W130 HydrophobicContact CG-CZ3 4Å; M99-W130 HydrophobicContact SD-CZ3 4.45Å
100R93.3Very high95.1Very high139 Ų13945.3 Ų45.353%0.52521%0.214SC..Hα-helixtrans-61.9-34.2175.1-76-179.7-177.5138.20.3112.8R96 K97 Q102 W130R96-R100 WeakPolarHBondContact O-CG 3.24Å; R96-R100 PolarHBondContact O-N 3.38Å; K97-R100 PolarHBondContact O-N 2.94Å; R100-Q102 VanDerWaalsContact C-N 3.25Å; R100-W130 HydrophobicContact CB-CH2 4.18Å; R100-W130 HydrophobicContact CB-CZ3 4.24Å; R100-W130 HydrophobicContact CG-CD2 4.43Å; R100-W130 HydrophobicContact CG-CE3 3.72Å; R100-W130 HydrophobicContact CG-CH2 3.64Å; R100-W130 HydrophobicContact CG-CZ2 4.34Å; R100-W130 HydrophobicContact CG-CZ3 3.28Å
101A93.6Very high95Very high52 Ų5245 Ų4543%0.4321%0.208SC..THydrogen-bonded Turntrans-79.3-6.4174.400000113.4V83 K97 E98 M99 R103V83-A101 HydrophobicContact CG1-CB 3.71Å; K97-A101 PolarHBondContact O-N 3.43Å; K97-A101 VanDerWaalsContact O-N 3.08Å; E98-A101 CarbonylContact O-C 3.59Å; E98-A101 PolarHBondContact O-N 2.93Å; M99-A101 VanDerWaalsContact C-N 3.26Å; M99-A101 PolarHBondContact O-N 2.93Å; A101-R103 VanDerWaalsContact C-N 3.27Å; A101-R103 HydrophobicContact CB-CB 4.34Å; A101-R103 HydrophobicContact CB-CG 3.79Å; A101-R103 WeakPolarHBondContact O-CG 3.49Å; A101-R103 PolarHBondContact O-N 2.93Å
102Q92.6Very high94.8Very high87 Ų8744.8 Ų44.841%0.40720%0.204SC..THydrogen-bonded Turntrans52.842.2-170.7-65-173.7-88.500112.7E98 M99 R100 D123 L125E98-Q102 PolarHBondContact O-N 2.83Å; E98-Q102 VanDerWaalsContact O-N 3.08Å; M99-Q102 PolarHBondContact O-N 2.78Å; R100-Q102 VanDerWaalsContact C-N 3.25Å; Q102-D123 PolarHBondContact NE2-O 3.16Å; Q102-L125 PolarHBondContact NE2-O 2.72Å
103R94.3Very high94.7Very high155 Ų15548.1 Ų48.159%0.58523%0.23SC*.  trans-112.29.2-176.5-64.6-73.6-86.2-178.9-6.8113.9M82 V83 E98 A101 P105M82-R103 HydrophobicContact CB-CB 3.98Å; V83-R103 HydrophobicContact CG1-CB 4.29Å; V83-R103 HydrophobicContact CG1-CG 4.42Å; E98-R103 PolarHBondContact O-N 3.22Å; A101-R103 VanDerWaalsContact C-N 3.27Å; A101-R103 HydrophobicContact CB-CB 4.34Å; A101-R103 HydrophobicContact CB-CG 3.79Å; A101-R103 WeakPolarHBondContact O-CG 3.49Å; A101-R103 PolarHBondContact O-N 2.93Å; R103-P105 WeakPolarHBondContact O-CD 3.46Å
104I95.8Very high94.5Very high6 Ų650.4 Ų50.43%0.03125%0.245CC..  trans-73.5120.8179-61.3-175.5000109.2V67 R71 E98 M99 I106 V122V67-I104 HydrophobicContact CG1-CD1 3.89Å; V67-I104 HydrophobicContact CG1-CG2 3.96Å; R71-I104 HydrophobicContact CB-CD1 4.32Å; R71-I104 HydrophobicContact CB-CG2 4.24Å; R71-I104 HydrophobicContact CG-CD1 4.15Å; R71-I104 HydrophobicContact CG-CG1 4.26Å; R71-I104 HydrophobicContact CG-CG2 4.03Å; E98-I104 HydrophobicContact CB-CD1 4.39Å; E98-I104 HydrophobicContact CB-CG1 3.69Å; M99-I104 HydrophobicContact CB-CD1 3.62Å; M99-I104 HydrophobicContact CB-CG1 4.48Å; M99-I104 HydrophobicContact CE-CD1 4.07Å; M99-I104 HydrophobicContact CG-CD1 4.25Å; I104-I106 HydrophobicContact CG2-CB 3.81Å; I104-I106 HydrophobicContact CG2-CD1 3.63Å; I104-I106 HydrophobicContact CG2-CG1 3.75Å; I104-I106 PolarHBondContact O-N 3.06Å; I104-V122 HydrophobicContact CB-CG1 4.11Å
105P95.2Very high94.2Very high35 Ų3552.8 Ų52.823%0.22727%0.271CS..  trans-82.257-178.535.5-36.5000111.9M82 R103M82-P105 HydrophobicContact CE-CG 4.15Å; R103-P105 WeakPolarHBondContact O-CD 3.46Å
106I95.2Very high93.9Very high4 Ų455.1 Ų55.12%0.02129%0.287CS..EExtended strand (participates in β ladder)trans-124.2137-178.7-74.4173000109.5I37 V67 T70 R71 I104 V122I37-I106 HydrophobicContact CB-CG2 4.3Å; I37-I106 HydrophobicContact CG1-CG2 4.17Å; I37-I106 HydrophobicContact CG2-CB 4.33Å; I37-I106 HydrophobicContact CG2-CD1 4.12Å; I37-I106 HydrophobicContact CG2-CG1 4.05Å; I37-I106 HydrophobicContact CG2-CG2 3.47Å; I37-I106 VanDerWaalsContact CG2-CG2 3.47Å; V67-I106 HydrophobicContact CG1-CD1 4.26Å; V67-I106 HydrophobicContact CG1-CG2 4.48Å; V67-I106 HydrophobicContact CG2-CG2 4.07Å; T70-I106 HydrophobicContact CG2-CD1 4.26Å; R71-I106 HydrophobicContact CB-CD1 4.22Å; I104-I106 HydrophobicContact CG2-CB 3.81Å; I104-I106 HydrophobicContact CG2-CD1 3.63Å; I104-I106 HydrophobicContact CG2-CG1 3.75Å; I104-I106 PolarHBondContact O-N 3.06Å; I106-V122 HydrophobicContact CB-CG2 4.11Å; I106-V122 HydrophobicContact CG2-CG2 3.98Å; I106-V122 VanDerWaalsContact O-CG2 3.24Å; I106-V122 WeakPolarHBondContact O-CG2 3.41Å; I106-V122 PolarHBondContact O-N 2.67Å; I106-V122 VanDerWaalsContact O-N 3.16Å
107I95.4Very high93.9Very high44 Ų4456.3 Ų56.323%0.22629%0.293CS..EExtended strand (participates in β ladder)trans-104.4135168.8-61.7172.2000108.5I37 L38 D119 W120I37-I107 WeakPolarHBondContact CA-O 3.45Å; L38-I107 HydrophobicContact CB-CB 4.36Å; L38-I107 PolarHBondContact N-O 3.33Å; L38-I107 PolarHBondContact O-N 3.47Å; I107-D119 HydrophobicContact CG2-CB 3.86Å; I107-W120 CarbonylContact C-O 3.49Å; I107-W120 WeakPolarHBondContact CA-O 3.42Å
108I95.1Very high93.8Very high1 Ų154.9 Ų54.91%0.00529%0.286CS..EExtended strand (participates in β ladder)trans-97.3118.6172-66.2159.4000108.1I35 M59 E63 V67 R110 W120 V122 L125I35-I108 HydrophobicContact CG2-CG2 4.16Å; M59-I108 HydrophobicContact CE-CD1 3.87Å; E63-I108 HydrophobicContact CB-CD1 3.89Å; E63-I108 HydrophobicContact CG-CD1 4.17Å; E63-I108 HydrophobicContact CG-CG2 3.94Å; V67-I108 HydrophobicContact CG2-CD1 3.89Å; V67-I108 HydrophobicContact CG2-CG1 3.95Å; I108-R110 HydrophobicContact CG2-CG 4.11Å; I108-W120 PolarHBondContact N-O 2.7Å; I108-W120 PolarHBondContact O-N 3.45Å; I108-V122 HydrophobicContact CD1-CG2 3.96Å; I108-V122 HydrophobicContact CG1-CG2 4.27Å; I108-L125 HydrophobicContact CD1-CD1 3.51Å
109R95.3Very high93.8Very high43 Ų4356.8 Ų56.816%0.16230%0.297CS..EExtended strand (participates in β ladder)trans-91.3117.5169178.6165.6-72.4179.3-5.2110I35 D36 Y111 Y117 D119I35-R109 WeakPolarHBondContact CA-O 3.46Å; D36-R109 HydrophobicContact CB-CB 4.16Å; D36-R109 PolarHBondContact N-O 2.79Å; D36-R109 PolarHBondContact O-N 2.61Å; R109-Y111 HydrophobicContact CB-CE2 4.39Å; R109-Y111 VanDerWaalsContact CD-OH 3.27Å; R109-Y111 WeakPolarHBondContact CD-OH 3.15Å; R109-Y111 HydrophobicContact CG-CD2 4.23Å; R109-Y111 HydrophobicContact CG-CE1 4.49Å; R109-Y111 HydrophobicContact CG-CE2 3.71Å; R109-Y117 HydrophobicContact CG-CD2 3.93Å; R109-Y117 HydrophobicContact CG-CG 3.89Å; R109-Y117 VanDerWaalsContact NE-CD2 3.31Å; R109-Y117 VanDerWaalsContact NH2-CE2 3.32Å; R109-D119 WeakPolarHBondContact CB-OD1 3.42Å; R109-D119 WeakPolarHBondContact CG-OD1 3.27Å; R109-D119 IonicContact CZ-OD1 3.37Å; R109-D119 IonicContact CZ-OD2 3.82Å; R109-D119 IonicContact NE-OD1 3.56Å; R109-D119 PolarHBondContact NE-OD1 3.01Å; R109-D119 IonicContact NE-OD2 3.72Å; R109-D119 IonicContact NH2-OD1 2.7Å; R109-D119 PolarHBondContact NH2-OD1 3.32Å; R109-D119 IonicContact NH2-OD2 3.22Å; R109-D119 PolarHBondContact NH2-OD2 3.03Å
110R95.1Very high93.8Very high19 Ų1957.7 Ų57.77%0.07230%0.3CS..EExtended strand (participates in β ladder)trans-98.6116.8175.7-67.7177.9172.6168.5-4.5110T55 S56 F58 E63 I108 Y117 E118T55-R110 WeakPolarHBondContact OG1-CD 3.33Å; T55-R110 PolarHBondContact OG1-NH1 3.47Å; S56-R110 PolarHBondContact O-NH1 2.77Å; F58-R110 PolarHBondContact O-NH2 3.32Å; E63-R110 IonicContact OE1-CZ 3.82Å; E63-R110 IonicContact OE1-NE 2.84Å; E63-R110 PolarHBondContact OE1-NE 2.86Å; E63-R110 IonicContact OE1-NH2 3.76Å; E63-R110 PolarHBondContact OE1-NH2 2.83Å; E63-R110 IonicContact OE2-CZ 3.18Å; E63-R110 IonicContact OE2-NE 2.69Å; E63-R110 IonicContact OE2-NH2 3.96Å; E63-R110 PolarHBondContact OE2-NH2 2.92Å; I108-R110 HydrophobicContact CG2-CG 4.11Å; R110-Y117 CarbonylContact O-C 3.57Å; R110-Y117 WeakPolarHBondContact O-CA 3.33Å; R110-Y117 WeakPolarHBondContact O-CB 3.39Å; R110-E118 PolarHBondContact N-O 3.18Å; R110-E118 PolarHBondContact O-N 3.49Å
111Y93.9Very high93.8Very high67 Ų6751.4 Ų51.426%0.26328%0.279SS..EExtended strand (participates in β ladder)trans-82.1142.3174.9-65.1-94.9000111Q33 D34 D36 R109 Y117Q33-Y111 WeakPolarHBondContact O-CD2 3.49Å; D34-Y111 WeakPolarHBondContact O-CD2 3.31Å; D36-Y111 HydrophobicContact CB-CE2 4.24Å; D36-Y111 PolarHBondContact OD2-OH 2.89Å; R109-Y111 HydrophobicContact CB-CE2 4.39Å; R109-Y111 VanDerWaalsContact CD-OH 3.27Å; R109-Y111 WeakPolarHBondContact CD-OH 3.15Å; R109-Y111 HydrophobicContact CG-CD2 4.23Å; R109-Y111 HydrophobicContact CG-CE1 4.49Å; R109-Y111 HydrophobicContact CG-CE2 3.71Å; Y111-Y117 HydrophobicContact CE1-CD1 4.26Å
112L92.7Very high93.8Very high30 Ų3049 Ų4916%0.15726%0.258CS..PPolyproline II helixtrans-100.2156.8175.1-65.8179.6000109.7I54 T55 D114 G115 S116I54-L112 HydrophobicContact CD1-CD1 3.8Å; I54-L112 HydrophobicContact CD1-CD2 3.95Å; I54-L112 HydrophobicContact CG1-CD1 4.14Å; I54-L112 HydrophobicContact CG1-CD2 4.3Å; T55-L112 HydrophobicContact CG2-CD2 3.86Å; L112-D114 VanDerWaalsContact CB-OD1 3.26Å; L112-D114 WeakPolarHBondContact CB-OD1 3.29Å; L112-D114 PolarHBondContact O-N 2.86Å; L112-G115 PolarHBondContact O-N 3.26Å; L112-S116 WeakPolarHBondContact CD1-OG 3.48Å; L112-S116 PolarHBondContact N-O 2.93Å
113P94Very high93.8Very high141 Ų14149.4 Ų49.492%0.91626%0.263SS*.THydrogen-bonded Turntrans-61-15.8-177.9-24.534.4000115.1G115P113-G115 VanDerWaalsContact C-N 3.31Å
114D90.5Very high93.7Very high124 Ų12446.7 Ų46.766%0.66326%0.257SS*.THydrogen-bonded Turntrans-870.5174.966.4-5000113.3L112 S116L112-D114 VanDerWaalsContact CB-OD1 3.26Å; L112-D114 WeakPolarHBondContact CB-OD1 3.29Å; L112-D114 PolarHBondContact O-N 2.86Å; D114-S116 VanDerWaalsContact C-N 3.3Å; D114-S116 VanDerWaalsContact CG-OG 3.31Å; D114-S116 WeakPolarHBondContact OD1-CB 3.3Å; D114-S116 PolarHBondContact OD1-N 3.15Å; D114-S116 PolarHBondContact OD1-OG 2.55Å; D114-S116 PolarHBondContact OD2-OG 3.11Å
115G89.9Confident93.6Very high57 Ų5746.4 Ų46.459%0.58826%0.256SS*.SBendtrans84.1-3.2-177.800000114.5L112 P113L112-G115 PolarHBondContact O-N 3.26Å; P113-G115 VanDerWaalsContact C-N 3.31Å
116S91.8Very high93.5Very high48 Ų4848.2 Ų48.234%0.33627%0.266SS..  trans-74.1169.3169.570.90000110.8L112 D114L112-S116 WeakPolarHBondContact CD1-OG 3.48Å; L112-S116 PolarHBondContact N-O 2.93Å; D114-S116 VanDerWaalsContact C-N 3.3Å; D114-S116 VanDerWaalsContact CG-OG 3.31Å; D114-S116 WeakPolarHBondContact OD1-CB 3.3Å; D114-S116 PolarHBondContact OD1-N 3.15Å; D114-S116 PolarHBondContact OD1-OG 2.55Å; D114-S116 PolarHBondContact OD2-OG 3.11Å
117Y93.6Very high93.4Very high87 Ų8749 Ų4934%0.34127%0.27SS..EExtended strand (participates in β ladder)trans-143.6158.8-179.460-99.8000113.1R109 R110 Y111R109-Y117 HydrophobicContact CG-CD2 3.93Å; R109-Y117 HydrophobicContact CG-CG 3.89Å; R109-Y117 VanDerWaalsContact NE-CD2 3.31Å; R109-Y117 VanDerWaalsContact NH2-CE2 3.32Å; R110-Y117 CarbonylContact O-C 3.57Å; R110-Y117 WeakPolarHBondContact O-CA 3.33Å; R110-Y117 WeakPolarHBondContact O-CB 3.39Å; Y111-Y117 HydrophobicContact CE1-CD1 4.26Å
118E93.9Very high92.9Very high12 Ų1251.8 Ų51.86%0.05629%0.289CS..EExtended strand (participates in β ladder)trans-122128.7171.9-64.5-179.2179.800110.5R53 I54 T55 R110 W120R53-E118 VanDerWaalsContact CA-OE1 3.3Å; R53-E118 WeakPolarHBondContact CA-OE1 3.34Å; R53-E118 HydrophobicContact CG-CG 4.47Å; I54-E118 VanDerWaalsContact CG1-OE1 3.22Å; I54-E118 WeakPolarHBondContact CG1-OE1 3.35Å; I54-E118 PolarHBondContact N-OE1 2.69Å; T55-E118 VanDerWaalsContact CB-OE2 3.3Å; T55-E118 WeakPolarHBondContact CB-OE2 3.47Å; T55-E118 VanDerWaalsContact CG2-OE2 3.29Å; T55-E118 WeakPolarHBondContact CG2-OE2 3.37Å; T55-E118 PolarHBondContact N-OE2 3.44Å; T55-E118 PolarHBondContact OG1-OE2 3Å; R110-E118 PolarHBondContact N-O 3.18Å; R110-E118 PolarHBondContact O-N 3.49Å; E118-W120 PolarHBondContact OE2-NE1 2.61Å; E118-W120 VanDerWaalsContact OE2-NE1 3.15Å
119D94.3Very high91.9Very high40 Ų4056.2 Ų56.221%0.21431%0.313CS..EExtended strand (participates in β ladder)trans-94.3124.4176.3-70.2-18000110.2R53 I107 R109R53-D119 PolarHBondContact NE-O 2.79Å; R53-D119 PolarHBondContact NH2-O 2.97Å; R53-D119 VanDerWaalsContact NH2-O 3.11Å; I107-D119 HydrophobicContact CG2-CB 3.86Å; R109-D119 WeakPolarHBondContact CB-OD1 3.42Å; R109-D119 WeakPolarHBondContact CG-OD1 3.27Å; R109-D119 IonicContact CZ-OD1 3.37Å; R109-D119 IonicContact CZ-OD2 3.82Å; R109-D119 IonicContact NE-OD1 3.56Å; R109-D119 PolarHBondContact NE-OD1 3.01Å; R109-D119 IonicContact NE-OD2 3.72Å; R109-D119 IonicContact NH2-OD1 2.7Å; R109-D119 PolarHBondContact NH2-OD1 3.32Å; R109-D119 IonicContact NH2-OD2 3.22Å; R109-D119 PolarHBondContact NH2-OD2 3.03Å
120W94.2Very high91.1Very high21 Ų2161.8 Ų61.88%0.0833%0.334CS..EExtended strand (participates in β ladder)trans-121.7122.2-179.7-72.182.3000110.6R53 T55 P57 I107 I108 E118 E124 L125R53-W120 HydrophobicContact CB-CH2 4.47Å; R53-W120 HydrophobicContact CB-CZ2 3.82Å; R53-W120 VanDerWaalsContact CD-CE2 3.47Å; R53-W120 VanDerWaalsContact CD-CZ2 3.42Å; R53-W120 HydrophobicContact CG-CZ2 4.27Å; R53-W120 VanDerWaalsContact NH1-CD2 3.31Å; T55-W120 WeakPolarHBondContact OG1-CZ2 3.07Å; T55-W120 PolarHBondContact OG1-NE1 2.87Å; P57-W120 HydrophobicContact CB-CH2 4.32Å; P57-W120 HydrophobicContact CB-CZ3 4.34Å; I107-W120 CarbonylContact C-O 3.49Å; I107-W120 WeakPolarHBondContact CA-O 3.42Å; I108-W120 PolarHBondContact N-O 2.7Å; I108-W120 PolarHBondContact O-N 3.45Å; E118-W120 PolarHBondContact OE2-NE1 2.61Å; E118-W120 VanDerWaalsContact OE2-NE1 3.15Å; W120-E124 HydrophobicContact CE3-CB 4.44Å; W120-L125 HydrophobicContact CB-CD1 4.03Å; W120-L125 HydrophobicContact CB-CD2 4.28Å; W120-L125 HydrophobicContact CB-CG 4.16Å; W120-L125 HydrophobicContact CD2-CD2 3.85Å; W120-L125 HydrophobicContact CE3-CD2 3.48Å; W120-L125 VanDerWaalsContact CE3-CD2 3.48Å; W120-L125 HydrophobicContact CE3-CG 4.12Å; W120-L125 HydrophobicContact CG-CD2 4.22Å; W120-L125 HydrophobicContact CZ3-CD2 4.09Å
121G93.9Very high90.9Very high7 Ų764 Ų647%0.07235%0.348CS..EExtended strand (participates in β ladder)trans-64.5141.3166.800000111.1D123 E124 L125G121-D123 WeakPolarHBondContact CA-OD1 3.22Å; G121-D123 PolarHBondContact O-N 3.31Å; G121-E124 WeakPolarHBondContact O-CB 3.26Å; G121-E124 PolarHBondContact O-N 3.32Å; G121-L125 PolarHBondContact O-N 2.82Å
122V93.8Very high90.7Very high0 Ų063.8 Ų63.80%035%0.352CS..THydrogen-bonded Turntrans-59.8-29.8173.6164.60000111.6M59 V67 I104 I106 I108 E124M59-V122 HydrophobicContact CE-CB 4.33Å; M59-V122 HydrophobicContact CE-CG1 3.95Å; M59-V122 HydrophobicContact CE-CG2 4.12Å; V67-V122 HydrophobicContact CG1-CG1 4.45Å; V67-V122 HydrophobicContact CG1-CG2 3.91Å; V67-V122 HydrophobicContact CG2-CG2 3.97Å; I104-V122 HydrophobicContact CB-CG1 4.11Å; I106-V122 HydrophobicContact CB-CG2 4.11Å; I106-V122 HydrophobicContact CG2-CG2 3.98Å; I106-V122 VanDerWaalsContact O-CG2 3.24Å; I106-V122 WeakPolarHBondContact O-CG2 3.41Å; I106-V122 PolarHBondContact O-N 2.67Å; I106-V122 VanDerWaalsContact O-N 3.16Å; I108-V122 HydrophobicContact CD1-CG2 3.96Å; I108-V122 HydrophobicContact CG1-CG2 4.27Å; V122-E124 VanDerWaalsContact C-N 3.32Å
123D92.4Very high90.6Very high97 Ų9765.7 Ų65.752%0.51936%0.363SS..THydrogen-bonded Turntrans-71.1-22174.161.3-45000113.9Q102 G121Q102-D123 PolarHBondContact NE2-O 3.16Å; G121-D123 WeakPolarHBondContact CA-OD1 3.22Å; G121-D123 PolarHBondContact O-N 3.31Å
124E91.8Very high90.4Very high97 Ų9761.2 Ų61.245%0.45333%0.33SS..THydrogen-bonded Turntrans-85.6-19.8177.7-58.7178.6-156.600112.9R53 W120 G121 V122R53-E124 IonicContact CZ-OE2 2.86Å; R53-E124 IonicContact NH1-OE2 2.77Å; R53-E124 PolarHBondContact NH1-OE2 2.87Å; R53-E124 IonicContact NH2-OE1 3.68Å; R53-E124 IonicContact NH2-OE2 3.47Å; R53-E124 PolarHBondContact NH2-OE2 2.79Å; W120-E124 HydrophobicContact CE3-CB 4.44Å; G121-E124 WeakPolarHBondContact O-CB 3.26Å; G121-E124 PolarHBondContact O-N 3.32Å; V122-E124 VanDerWaalsContact C-N 3.32Å
125L93.4Very high90.4Very high1 Ų157.3 Ų57.31%0.00531%0.31CS..SBendtrans-90.5136.7-174.2-69.9169.6000112.4M59 Q102 I108 W120 G121M59-L125 HydrophobicContact CB-CB 4.04Å; M59-L125 HydrophobicContact CB-CD1 4.39Å; M59-L125 HydrophobicContact CE-CB 4.03Å; M59-L125 HydrophobicContact CE-CD1 3.87Å; Q102-L125 PolarHBondContact NE2-O 2.72Å; I108-L125 HydrophobicContact CD1-CD1 3.51Å; W120-L125 HydrophobicContact CB-CD1 4.03Å; W120-L125 HydrophobicContact CB-CD2 4.28Å; W120-L125 HydrophobicContact CB-CG 4.16Å; W120-L125 HydrophobicContact CD2-CD2 3.85Å; W120-L125 HydrophobicContact CE3-CD2 3.48Å; W120-L125 VanDerWaalsContact CE3-CD2 3.48Å; W120-L125 HydrophobicContact CE3-CG 4.12Å; W120-L125 HydrophobicContact CG-CD2 4.22Å; W120-L125 HydrophobicContact CZ3-CD2 4.09Å; G121-L125 PolarHBondContact O-N 2.82Å
126T94.2Very high90.5Very high72 Ų7257.3 Ų57.344%0.44229%0.291SS..BIsolated β-bridgetrans-84.4126.3175-580000110.9P57 F58 M59P57-T126 PolarHBondContact O-N 3.48Å; F58-T126 WeakPolarHBondContact CA-O 3.3Å; F58-T126 HydrophobicContact CD1-CG2 3.91Å; F58-T126 HydrophobicContact CE1-CG2 3.83Å; M59-T126 PolarHBondContact N-O 3.33Å
127I91.8Very high90.4Very high21 Ų2158 Ų5811%0.10829%0.288CS..PPolyproline II helixtrans-98.8118.3177.5-56.9169.7000108.8M59 M99 D129 W130M59-I127 HydrophobicContact CB-CG1 4.11Å; M59-I127 HydrophobicContact CE-CD1 4.47Å; M59-I127 HydrophobicContact CE-CG1 4.38Å; M59-I127 HydrophobicContact SD-CD1 4.17Å; M59-I127 HydrophobicContact SD-CG1 3.96Å; M99-I127 HydrophobicContact CG-CD1 3.52Å; M99-I127 HydrophobicContact SD-CD1 3.98Å; I127-D129 WeakPolarHBondContact CG2-O 3.37Å; I127-W130 HydrophobicContact CB-CH2 4.25Å; I127-W130 HydrophobicContact CB-CZ2 3.73Å; I127-W130 HydrophobicContact CD1-CH2 3.59Å; I127-W130 HydrophobicContact CD1-CZ2 3.91Å; I127-W130 HydrophobicContact CD1-CZ3 4.42Å; I127-W130 HydrophobicContact CG1-CZ2 4.42Å; I127-W130 HydrophobicContact CG2-CD2 4.19Å; I127-W130 HydrophobicContact CG2-CH2 4.07Å; I127-W130 HydrophobicContact CG2-CZ2 3.7Å; I127-W130 HydrophobicContact CG2-CZ3 4.45Å
128T85.1Confident90.1Very high102 Ų10255.8 Ų55.863%0.62628%0.284SS*.  trans-97.1-16.4-177.2470000114.2F58F58-T128 HydrophobicContact CD1-CG2 3.56Å; F58-T128 HydrophobicContact CE1-CG2 3.76Å
129D75.4Confident89.8Confident95 Ų9559.4 Ų59.451%0.50830%0.303SS..  trans-123.2138.7-172.2-162.6-92.9000107.8R64 I127R64-D129 IonicContact CZ-OD1 3.24Å; R64-D129 VanDerWaalsContact CZ-OD1 3.24Å; R64-D129 VanDerWaalsContact NH1-CB 3.32Å; R64-D129 PolarHBondContact NH1-O 3.49Å; R64-D129 IonicContact NH1-OD1 3.4Å; R64-D129 PolarHBondContact NH1-OD1 3.46Å; R64-D129 IonicContact NH2-OD1 2.78Å; R64-D129 PolarHBondContact NH2-OD1 2.98Å; I127-D129 WeakPolarHBondContact CG2-O 3.37Å
130W77.5Confident89.4Confident160 Ų16061.2 Ų61.261%0.60631%0.311SS*.  trans-141.40-177.6-70.7103.7000112.3M99 R100 I127M99-W130 HydrophobicContact CB-CZ3 4.38Å; M99-W130 HydrophobicContact CG-CH2 3.99Å; M99-W130 HydrophobicContact CG-CZ3 4Å; M99-W130 HydrophobicContact SD-CZ3 4.45Å; R100-W130 HydrophobicContact CB-CH2 4.18Å; R100-W130 HydrophobicContact CB-CZ3 4.24Å; R100-W130 HydrophobicContact CG-CD2 4.43Å; R100-W130 HydrophobicContact CG-CE3 3.72Å; R100-W130 HydrophobicContact CG-CH2 3.64Å; R100-W130 HydrophobicContact CG-CZ2 4.34Å; R100-W130 HydrophobicContact CG-CZ3 3.28Å; I127-W130 HydrophobicContact CB-CH2 4.25Å; I127-W130 HydrophobicContact CB-CZ2 3.73Å; I127-W130 HydrophobicContact CD1-CH2 3.59Å; I127-W130 HydrophobicContact CD1-CZ2 3.91Å; I127-W130 HydrophobicContact CD1-CZ3 4.42Å; I127-W130 HydrophobicContact CG1-CZ2 4.42Å; I127-W130 HydrophobicContact CG2-CD2 4.19Å; I127-W130 HydrophobicContact CG2-CH2 4.07Å; I127-W130 HydrophobicContact CG2-CZ2 3.7Å; I127-W130 HydrophobicContact CG2-CZ3 4.45Å

Retrieved 130 of 130 residues in 262.7 ms (Link to these results)