A0A096MPZ8_PAPAN Loading...

Leucine rich colipase like 1

AlphaFold DB , UniProt , Accession A0A096MPZ8, Species PAPAN (Papio anubis, Olive baboon), Gene LRCOL1, Length 157 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
1M37.2Very low46.2Very low242 Ų242147.6 Ų147.6100%1.19285%0.847SS**  088.70-66161.1169.600105.9
2A37.7Very low46.4Very low106 Ų106148 Ų14888%0.87684%0.843SS**  63.374.571.600000114.2
3G39.5Very low46.7Very low72 Ų72146 Ų14674%0.74284%0.839SS**  trans49.5-174.1149.900000121
4P55Low47Very low134 Ų134146.2 Ų146.287%0.8784%0.835SS**  cis-140.1175.9-25.437.5-19.1000114.1
5G41.3Very low46.8Very low69 Ų69141.8 Ų141.871%0.71183%0.834SS**  trans110.5143.5154.300000117.9
6W48.3Very low46.9Very low249 Ų249139.1 Ų139.194%0.94383%0.825SS**  cis-151.51509.6-9930.1000109.7
7T48.8Very low46.9Very low113 Ų113140.3 Ų140.369%0.69383%0.826SS**  trans-5.5136.5158.851.30000121.7
8M49.8Very low46.6Very low180 Ų180138.2 Ų138.289%0.88781%0.814SS**  trans-144.9116.9130.2-120.4-58.9-158.600110.8
9L53.5Low46.3Very low142 Ų142134.7 Ų134.774%0.74381%0.811SS**  trans-69.7132.3170.5-108.182.5000109.7
10L48.3Very low45.9Very low165 Ų165139.4 Ų139.486%0.86482%0.815SS**  trans-135.793.3156.6-93.1158.7000109.7
11L49.3Very low45.6Very low152 Ų152135.7 Ų135.780%0.79681%0.806SS**  trans4123.3150.2-64.6150.9000118.3
12L47.6Very low45.6Very low152 Ų152131.8 Ų131.880%0.79679%0.789SS**  trans-63.1157.3156.6-76.997.2000111.1
13P50.3Low45.8Very low122 Ų122134.8 Ų134.879%0.79279%0.785SS**  -121.2137123.629.2-18.3000111.8G15P13-G15 PolarHBondContact O-N 3.43Å; P13-G15 VanDerWaalsContact O-N 3.15Å
14L51.6Low45.9Very low149 Ų149139.9 Ų139.978%0.7879%0.787SS**  trans-49.8111.8163-84.265.7000109.7
15G43.4Very low45.3Very low80 Ų80140.2 Ų140.283%0.82578%0.777SS**  trans-107.968.9167.400000110P13 L17P13-G15 PolarHBondContact O-N 3.43Å; P13-G15 VanDerWaalsContact O-N 3.15Å; G15-L17 PolarHBondContact O-N 3.29Å
16S48.2Very low45.3Very low98 Ų98144.9 Ų144.969%0.68578%0.78SS**  trans-66.4108.1166.6-45.20000108.2
17L47.6Very low45.1Very low160 Ų160139.1 Ų139.184%0.83877%0.765SS**  trans-146.793.3150-81.8-174.2000110.9G15G15-L17 PolarHBondContact O-N 3.29Å
18V42.1Very low45.2Very low102 Ų102140.6 Ų140.662%0.61877%0.769SS**  trans58.789.4132.6-1720000113.6Y20V18-Y20 PolarHBondContact O-N 3.02Å; V18-Y20 VanDerWaalsContact O-N 3.09Å
19G40.9Very low45.5Very low73 Ų73135.4 Ų135.475%0.75374%0.744SS**  trans-48.1121.4147.100000107.4G21G19-G21 PolarHBondContact O-N 3.29Å
20Y38.5Very low45.9Very low228 Ų228133.9 Ų133.989%0.89475%0.745SS**  trans-66.668.4157.3-67.2-87.4000106.5V18 L22V18-Y20 PolarHBondContact O-N 3.02Å; V18-Y20 VanDerWaalsContact O-N 3.09Å; Y20-L22 VanDerWaalsContact C-N 3.28Å; Y20-L22 PolarHBondContact O-N 2.93Å
21G38.4Very low47.2Very low61 Ų61131 Ų13163%0.62973%0.728SS**  trans-55109.3152.300000103.4G19 Q23G19-G21 PolarHBondContact O-N 3.29Å; G21-Q23 PolarHBondContact O-N 2.86Å
22L37.4Very low49Very low160 Ų160127 Ų12784%0.83870%0.704SS**  trans-5590.2161.4-157.292.9000104.3Y20 K24Y20-L22 VanDerWaalsContact C-N 3.28Å; Y20-L22 PolarHBondContact O-N 2.93Å; L22-K24 PolarHBondContact O-N 2.73Å
23Q41.3Very low50.9Low169 Ų169124 Ų12479%0.7969%0.692SS**  trans-71.974.4174.3-168.3168.5-10.800103.9G21 Q25G21-Q23 PolarHBondContact O-N 2.86Å; Q23-Q25 PolarHBondContact O-N 3.25Å
24K41.7Very low52.6Low180 Ų180123.5 Ų123.578%0.78368%0.681SS**  trans-52.4100.4144.9-99.5-170.4172.2-176.20102.2L22 Q26L22-K24 PolarHBondContact O-N 2.73Å; K24-Q26 PolarHBondContact O-N 2.97Å
25Q42.7Very low54.1Low140 Ų140118.6 Ų118.665%0.65467%0.667SS**  trans-47.1100.7161.9-76.4175.2-1900104.1Q23 M27Q23-Q25 PolarHBondContact O-N 3.25Å; Q25-M27 HydrophobicContact CB-CG 4.25Å; Q25-M27 PolarHBondContact O-N 2.95Å
26Q42.5Very low56.2Low167 Ų167118.7 Ų118.778%0.7865%0.646SS**  trans-70.473.4161.4-168.9166.5-14.600102.8K24 N28K24-Q26 PolarHBondContact O-N 2.97Å; Q26-N28 PolarHBondContact O-N 3.08Å
27M44Very low58.2Low128 Ų128118.2 Ų118.263%0.63164%0.64SS**  trans-54.7106.1156.8-73.2-164-179.400102.3Q25 L29Q25-M27 HydrophobicContact CB-CG 4.25Å; Q25-M27 PolarHBondContact O-N 2.95Å; M27-L29 HydrophobicContact CB-CB 4.35Å; M27-L29 PolarHBondContact O-N 3.29Å
28N49.1Very low60.1Low144 Ų144110.7 Ų110.777%0.7760%0.601SS**  trans-62.163.7155.6-81.4-43.8000106.8Q26 S30Q26-N28 PolarHBondContact O-N 3.08Å; N28-S30 PolarHBondContact O-N 2.6Å; N28-S30 VanDerWaalsContact O-N 3.08Å
29L57.2Low62.3Low71 Ų71117.1 Ų117.137%0.37261%0.614SS.*  trans-7595.3163.2-147.673.1000101.3M27 H31 E43M27-L29 HydrophobicContact CB-CB 4.35Å; M27-L29 PolarHBondContact O-N 3.29Å; L29-H31 PolarHBondContact O-N 2.02Å; L29-E43 HydrophobicContact CD2-CB 4.31Å; L29-E43 HydrophobicContact CD2-CG 3.99Å
30S61.3Low64.4Low110 Ų110116.1 Ų116.177%0.76960%0.596SS**  trans-47.9102.7163.1-70.90000105.3N28 K32N28-S30 PolarHBondContact O-N 2.6Å; N28-S30 VanDerWaalsContact O-N 3.08Å; S30-K32 PolarHBondContact O-N 2.73Å
31H77.2Confident66.8Low106 Ų106109.4 Ų109.449%0.49157%0.572SS.*PPolyproline II helixtrans-63121-171-79.8-74.4000106.6L29 V33 E42 E43 H45L29-H31 PolarHBondContact O-N 2.02Å; H31-V33 PolarHBondContact O-N 3.08Å; H31-E42 PolarHBondContact ND1-O 2.83Å; H31-E43 CarbonylContact C-O 3.52Å; H31-E43 WeakPolarHBondContact CA-O 3.46Å; H31-H45 HydrophobicContact CB-CB 3.8Å
32K86.5Confident69.3Low67 Ų67113.6 Ų113.629%0.29158%0.576SS.*BIsolated β-bridgetrans-60.4137.1-179.8-71-176.5-178.11690109.6S30 E36 P37 E43 C44 H45 C60S30-K32 PolarHBondContact O-N 2.73Å; K32-E36 WeakPolarHBondContact CA-OE2 3.41Å; K32-E36 HydrophobicContact CB-CB 4Å; K32-E36 WeakPolarHBondContact CB-OE2 2.95Å; K32-E36 HydrophobicContact CD-CB 4.35Å; K32-E36 HydrophobicContact CG-CB 4.43Å; K32-E36 WeakPolarHBondContact CG-OE2 2.97Å; K32-P37 WeakPolarHBondContact CD-O 3.48Å; K32-P37 WeakPolarHBondContact CE-O 3.11Å; K32-P37 PolarHBondContact NZ-O 3.29Å; K32-E43 WeakPolarHBondContact CB-O 3.34Å; K32-E43 HydrophobicContact CD-CB 4.3Å; K32-E43 PolarHBondContact N-O 3.42Å; K32-E43 IonicContact NZ-OE2 3.73Å; K32-E43 PolarHBondContact NZ-OE2 2.91Å; K32-C44 WeakPolarHBondContact O-CA 3.28Å; K32-H45 PolarHBondContact O-N 3.26Å; K32-C60 VanDerWaalsContact CB-SG 3.59Å
33V87.8Confident71.7Confident90 Ų90107.4 Ų107.455%0.54554%0.542SS..PPolyproline II helixtrans-83.1166.2-179.1-63.30000110.6H31 G35 E36 C60H31-V33 PolarHBondContact O-N 3.08Å; V33-G35 PolarHBondContact O-N 2.91Å; V33-E36 HydrophobicContact CG2-CG 3.83Å; V33-E36 PolarHBondContact N-OE2 3.14Å; V33-E36 WeakPolarHBondContact O-CB 3.35Å; V33-E36 PolarHBondContact O-N 3.28Å; V33-E36 VanDerWaalsContact O-N 3.13Å; V33-C60 VanDerWaalsContact O-CB 3.26Å; V33-C60 WeakPolarHBondContact O-CB 3.27Å
34I86.1Confident73.9Confident110 Ų11099.5 Ų99.556%0.56451%0.505SS*.THydrogen-bonded Turntrans-55.6132.5178.7-63.3165.9000109.6C60 P62I34-C60 CarbonylContact C-O 3.51Å; I34-C60 WeakPolarHBondContact CA-O 3.29Å; I34-P62 HydrophobicContact CD1-CB 3.85Å; I34-P62 HydrophobicContact CD1-CG 4.28Å
35G83.1Confident76.2Confident47 Ų4798 Ų9849%0.48550%0.501SS..THydrogen-bonded Turntrans91.6-7.3-179.100000114.9V33 C60V33-G35 PolarHBondContact O-N 2.91Å; G35-C60 PolarHBondContact N-O 3.17Å
36E87.4Confident78.3Confident82 Ų8292.5 Ų92.538%0.38348%0.478SS..SBendtrans-81.9146.8174.3-71.1-169.6133.600112.3K32 V33 L59 C60K32-E36 WeakPolarHBondContact CA-OE2 3.41Å; K32-E36 HydrophobicContact CB-CB 4Å; K32-E36 WeakPolarHBondContact CB-OE2 2.95Å; K32-E36 HydrophobicContact CD-CB 4.35Å; K32-E36 HydrophobicContact CG-CB 4.43Å; K32-E36 WeakPolarHBondContact CG-OE2 2.97Å; V33-E36 HydrophobicContact CG2-CG 3.83Å; V33-E36 PolarHBondContact N-OE2 3.14Å; V33-E36 WeakPolarHBondContact O-CB 3.35Å; V33-E36 PolarHBondContact O-N 3.28Å; V33-E36 VanDerWaalsContact O-N 3.13Å; E36-L59 CarbonylContact O-C 3.56Å; E36-L59 VanDerWaalsContact O-CA 3.31Å; E36-L59 WeakPolarHBondContact O-CA 3.41Å; E36-C60 PolarHBondContact O-N 2.59Å
37P88.7Confident80.5Confident87 Ų8788.1 Ų88.157%0.56546%0.46SS*.BIsolated β-bridgetrans-68.2134.5178.528.3-34.4000111.6K32 T58 L59K32-P37 WeakPolarHBondContact CD-O 3.48Å; K32-P37 WeakPolarHBondContact CE-O 3.11Å; K32-P37 PolarHBondContact NZ-O 3.29Å; P37-T58 VanDerWaalsContact CA-O 3.29Å; P37-T58 WeakPolarHBondContact CA-O 3.49Å; P37-L59 HydrophobicContact CB-CD2 4.24Å
38C88.1Confident82.7Confident3 Ų382 Ų822%0.0243%0.43CS..  trans-134154.7-175.6580000111E43 C44 C49 T58 L59 C60C38-E43 HydrophobicContact CB-CB 4.47Å; C38-C44 VanDerWaalsContact CB-SG 3.57Å; C38-C49 HydrophobicContact CB-CB 3.82Å; C38-C49 WeakPolarHBondContact CB-SG 3.24Å; C38-C49 PolarHBondContact O-SG 3.2Å; C38-C49 VanDerWaalsContact O-SG 3.35Å; C38-C49 WeakPolarHBondContact SG-CA 3.19Å; C38-C49 WeakPolarHBondContact SG-CB 3.32Å; C38-C49 CovalentContact SG-SG 2.02Å; C38-C49 PolarHBondContact SG-SG 3.01Å; C38-T58 PolarHBondContact N-O 3.37Å; C38-T58 VanDerWaalsContact O-CB 3.29Å; C38-T58 WeakPolarHBondContact O-CB 3.02Å; C38-T58 PolarHBondContact O-OG1 3.18Å; C38-L59 PolarHBondContact SG-O 3.3Å; C38-C60 PolarHBondContact SG-N 3.07Å
39R88.2Confident84.6Confident236 Ų23675.8 Ų75.889%0.89140%0.398SS*.SBendtrans-111.1-29.3171.2-62.6-177.7179.4-178.7-0.1112.4E43R39-E43 WeakPolarHBondContact CB-OE1 3.02Å; R39-E43 PolarHBondContact N-OE1 2.83Å; R39-E43 PolarHBondContact N-OE2 3.18Å
40S86.1Confident86.1Confident52 Ų5273.2 Ų73.236%0.36439%0.385SS..SBendtrans-129.6154.5179.764.10000111.3E42 E43 C49S40-E42 VanDerWaalsContact C-N 3.27Å; S40-E42 PolarHBondContact O-N 3.45Å; S40-E43 PolarHBondContact N-OE1 3.48Å; S40-E43 WeakPolarHBondContact O-CB 3.14Å; S40-E43 PolarHBondContact O-N 3.08Å; S40-E43 WeakPolarHBondContact OG-CG 3.42Å; S40-E43 PolarHBondContact OG-OE1 3.36Å; S40-C49 WeakPolarHBondContact O-CB 3.15Å
41H88.6Confident87.2Confident88 Ų8871.2 Ų71.241%0.40737%0.368SS..G310 helixtrans-58.8-39.4178.6-76-86.4000112.2E43 C44 N47 C48 C49H41-E43 PolarHBondContact O-N 2.75Å; H41-C44 PolarHBondContact O-N 3.28Å; H41-N47 VanDerWaalsContact CB-OD1 3.32Å; H41-N47 WeakPolarHBondContact CB-OD1 3.46Å; H41-N47 PolarHBondContact ND1-O 3.24Å; H41-N47 VanDerWaalsContact ND1-O 3.15Å; H41-N47 CarbonylContact O-C 3.57Å; H41-N47 VanDerWaalsContact O-CA 3.29Å; H41-N47 WeakPolarHBondContact O-CA 3.33Å; H41-N47 PolarHBondContact O-OD1 3.44Å; H41-C48 WeakPolarHBondContact ND1-CA 2.96Å; H41-C49 PolarHBondContact CE1-O 3.25Å; H41-C49 PolarHBondContact ND1-N 3.23Å; H41-C49 VanDerWaalsContact ND1-N 3.18Å
42E89.8Confident87Confident149 Ų14967.9 Ų67.970%0.69635%0.354SS*.G310 helixtrans-67.5-19.6-174.1-53-159.9-153.500113.4H31 S40 C44 N47H31-E42 PolarHBondContact ND1-O 2.83Å; S40-E42 VanDerWaalsContact C-N 3.27Å; S40-E42 PolarHBondContact O-N 3.45Å; E42-C44 VanDerWaalsContact C-N 3.27Å; E42-C44 PolarHBondContact O-N 3.31Å; E42-N47 PolarHBondContact N-OD1 2.92Å
43E88.9Confident85.9Confident30 Ų3066.9 Ų66.914%0.1436%0.355CS..G310 helixtrans-64.7-30.2171.8-73.3166.7-117.900112.9L29 H31 K32 C38 R39 S40 H41L29-E43 HydrophobicContact CD2-CB 4.31Å; L29-E43 HydrophobicContact CD2-CG 3.99Å; H31-E43 CarbonylContact C-O 3.52Å; H31-E43 WeakPolarHBondContact CA-O 3.46Å; K32-E43 WeakPolarHBondContact CB-O 3.34Å; K32-E43 HydrophobicContact CD-CB 4.3Å; K32-E43 PolarHBondContact N-O 3.42Å; K32-E43 IonicContact NZ-OE2 3.73Å; K32-E43 PolarHBondContact NZ-OE2 2.91Å; C38-E43 HydrophobicContact CB-CB 4.47Å; R39-E43 WeakPolarHBondContact CB-OE1 3.02Å; R39-E43 PolarHBondContact N-OE1 2.83Å; R39-E43 PolarHBondContact N-OE2 3.18Å; S40-E43 PolarHBondContact N-OE1 3.48Å; S40-E43 WeakPolarHBondContact O-CB 3.14Å; S40-E43 PolarHBondContact O-N 3.08Å; S40-E43 WeakPolarHBondContact OG-CG 3.42Å; S40-E43 PolarHBondContact OG-OE1 3.36Å; H41-E43 PolarHBondContact O-N 2.75Å
44C88.1Confident84.8Confident2 Ų267.3 Ų67.31%0.01435%0.354CS..BIsolated β-bridgetrans-90.9141.3-173.8-58.10000111.5K32 C38 H41 E42 S46 N47 C48 C60K32-C44 WeakPolarHBondContact O-CA 3.28Å; C38-C44 VanDerWaalsContact CB-SG 3.57Å; H41-C44 PolarHBondContact O-N 3.28Å; E42-C44 VanDerWaalsContact C-N 3.27Å; E42-C44 PolarHBondContact O-N 3.31Å; C44-S46 PolarHBondContact O-N 3.08Å; C44-N47 WeakPolarHBondContact O-CA 3.24Å; C44-N47 PolarHBondContact O-N 2.02Å; C44-C48 PolarHBondContact SG-O 3.06Å; C44-C48 VanDerWaalsContact SG-O 3.35Å; C44-C60 VanDerWaalsContact CA-SG 3.51Å; C44-C60 HydrophobicContact CB-CB 3.69Å; C44-C60 WeakPolarHBondContact CB-SG 3.34Å; C44-C60 WeakPolarHBondContact SG-CA 3.01Å; C44-C60 WeakPolarHBondContact SG-CB 3.29Å; C44-C60 CovalentContact SG-SG 2.03Å; C44-C60 PolarHBondContact SG-SG 2.95Å
45H89.3Confident83.8Confident150 Ų15065.1 Ų65.169%0.69434%0.343SS*.THydrogen-bonded Turntrans-58.8-35.3174.2-176.367.3000112.4H31 K32 N47H31-H45 HydrophobicContact CB-CB 3.8Å; K32-H45 PolarHBondContact O-N 3.26Å; H45-N47 PolarHBondContact O-N 2.79Å
46S85.6Confident83.3Confident24 Ų2468.1 Ų68.117%0.16835%0.354CS..THydrogen-bonded Turntrans-73.6-8.8174.855.90000114.1C44 C48 T61 K63C44-S46 PolarHBondContact O-N 3.08Å; S46-C48 PolarHBondContact O-N 3.17Å; S46-C48 PolarHBondContact OG-N 3.14Å; S46-T61 WeakPolarHBondContact CB-O 3.47Å; S46-T61 PolarHBondContact OG-O 3.42Å; S46-K63 WeakPolarHBondContact O-CD 3.31Å; S46-K63 WeakPolarHBondContact O-CE 3.36Å
47N89.4Confident83Confident74 Ų7469.8 Ų69.840%0.39636%0.362SS..SBendtrans54.631.4-166.5-155.88.9000113.1H41 E42 C44 H45 C69H41-N47 VanDerWaalsContact CB-OD1 3.32Å; H41-N47 WeakPolarHBondContact CB-OD1 3.46Å; H41-N47 PolarHBondContact ND1-O 3.24Å; H41-N47 VanDerWaalsContact ND1-O 3.15Å; H41-N47 CarbonylContact O-C 3.57Å; H41-N47 VanDerWaalsContact O-CA 3.29Å; H41-N47 WeakPolarHBondContact O-CA 3.33Å; H41-N47 PolarHBondContact O-OD1 3.44Å; E42-N47 PolarHBondContact N-OD1 2.92Å; C44-N47 WeakPolarHBondContact O-CA 3.24Å; C44-N47 PolarHBondContact O-N 2.02Å; H45-N47 PolarHBondContact O-N 2.79Å; N47-C69 PolarHBondContact O-SG 3.07Å
48C90.1Very high82.9Confident0 Ų068.1 Ų68.10%035%0.35CS..  trans-131.1108.8-179.7-71.90000111.3H41 C44 S46 C60 T61 K63 C69H41-C48 WeakPolarHBondContact ND1-CA 2.96Å; C44-C48 PolarHBondContact SG-O 3.06Å; C44-C48 VanDerWaalsContact SG-O 3.35Å; S46-C48 PolarHBondContact O-N 3.17Å; S46-C48 PolarHBondContact OG-N 3.14Å; C48-C60 CarbonylContact O-C 3.57Å; C48-C60 WeakPolarHBondContact O-CA 3.49Å; C48-T61 VanDerWaalsContact CB-O 3.26Å; C48-T61 WeakPolarHBondContact CB-O 3.45Å; C48-T61 PolarHBondContact O-N 2.88Å; C48-K63 WeakPolarHBondContact SG-CG 3.44Å; C48-C69 WeakPolarHBondContact CA-SG 3.46Å; C48-C69 HydrophobicContact CB-CB 3.7Å; C48-C69 WeakPolarHBondContact CB-SG 3.34Å; C48-C69 WeakPolarHBondContact SG-CA 3.25Å; C48-C69 WeakPolarHBondContact SG-CB 3.39Å; C48-C69 CovalentContact SG-SG 2.03Å; C48-C69 PolarHBondContact SG-SG 3.45Å
49C90.3Very high83Confident14 Ų1469.9 Ų69.910%0.09536%0.359CS..EExtended strand (participates in β ladder)trans-111.6115.9172.1-176.70000108.8C38 S40 H41C38-C49 HydrophobicContact CB-CB 3.82Å; C38-C49 WeakPolarHBondContact CB-SG 3.24Å; C38-C49 PolarHBondContact O-SG 3.2Å; C38-C49 VanDerWaalsContact O-SG 3.35Å; C38-C49 WeakPolarHBondContact SG-CA 3.19Å; C38-C49 WeakPolarHBondContact SG-CB 3.32Å; C38-C49 CovalentContact SG-SG 2.02Å; C38-C49 PolarHBondContact SG-SG 3.01Å; S40-C49 WeakPolarHBondContact O-CB 3.15Å; H41-C49 PolarHBondContact CE1-O 3.25Å; H41-C49 PolarHBondContact ND1-N 3.23Å; H41-C49 VanDerWaalsContact ND1-N 3.18Å
50T88.2Confident83Confident16 Ų1658.7 Ų58.710%0.09832%0.317CS..EExtended strand (participates in β ladder)trans-140.2148.7-174.162.30000111.8L59 T61 C69T50-L59 PolarHBondContact N-O 3.31Å; T50-L59 PolarHBondContact O-N 3.49Å; T50-T61 WeakPolarHBondContact OG1-CG2 3.02Å; T50-T61 PolarHBondContact OG1-OG1 3.17Å; T50-C69 HydrophobicContact CG2-CB 4.09Å
51T83.1Confident83.1Confident68 Ų6857.1 Ų57.142%0.41731%0.305SS..EExtended strand (participates in β ladder)trans-73.2140.1176.1-44.70000111.3T58 P71T51-T58 WeakPolarHBondContact OG1-CG2 3.38Å; T51-P71 VanDerWaalsContact O-CB 3.31Å; T51-P71 WeakPolarHBondContact O-CB 3.41Å
52N73.1Confident83Confident36 Ų3656.4 Ų56.419%0.19331%0.309CS..EExtended strand (participates in β ladder)trans-83.9135.3172.1-172.5-23.3000110.1L54 D55 H57N52-L54 PolarHBondContact O-N 2.84Å; N52-L54 PolarHBondContact OD1-N 2.87Å; N52-D55 CarbonylContact C-O 3.52Å; N52-D55 WeakPolarHBondContact CB-O 3.03Å; N52-D55 CarbonylContact O-C 3.43Å; N52-D55 PolarHBondContact O-N 2.72Å; N52-H57 PolarHBondContact N-O 3.39Å
53S64.5Low82.8Confident46 Ų4653.5 Ų53.532%0.32229%0.294SS..THydrogen-bonded Turntrans-63.6-23.7175.6172.60000113.9W72S53-W72 PolarHBondContact N-O 2.79Å
54L64.3Low82.6Confident99 Ų9954.3 Ų54.352%0.51830%0.301SS..THydrogen-bonded Turntrans-86-22.1178.6-72.9168.2000113.7N52 W72N52-L54 PolarHBondContact O-N 2.84Å; N52-L54 PolarHBondContact OD1-N 2.87Å; L54-W72 HydrophobicContact CB-CZ3 4.47Å; L54-W72 HydrophobicContact CD1-CE3 4.47Å; L54-W72 HydrophobicContact CD1-CH2 3.35Å; L54-W72 HydrophobicContact CD1-CZ2 4.27Å; L54-W72 HydrophobicContact CD1-CZ3 3.5Å; L54-W72 VanDerWaalsContact CD1-CZ3 3.5Å; L54-W72 HydrophobicContact CG-CH2 3.95Å; L54-W72 HydrophobicContact CG-CZ3 3.59Å
55D65.5Low82.3Confident64 Ų6462.6 Ų62.634%0.34234%0.343SS..EExtended strand (participates in β ladder)trans-149.5120.2-169.5-179.219.5000108.8N52 H57N52-D55 CarbonylContact C-O 3.52Å; N52-D55 WeakPolarHBondContact CB-O 3.03Å; N52-D55 CarbonylContact O-C 3.43Å; N52-D55 PolarHBondContact O-N 2.72Å; D55-H57 VanDerWaalsContact CG-CD2 3.45Å; D55-H57 PolarHBondContact O-N 2.04Å; D55-H57 IonicContact OD1-CD2 3.55Å; D55-H57 PolarHBondContact OD1-CD2 3.08Å; D55-H57 IonicContact OD1-CG 2.76Å; D55-H57 IonicContact OD1-NE2 2.59Å; D55-H57 IonicContact OD2-CD2 3.79Å; D55-H57 PolarHBondContact OD2-CD2 2.74Å; D55-H57 IonicContact OD2-CG 3.05Å
56P72.4Confident82.2Confident111 Ų11161.6 Ų61.672%0.72134%0.342SS*.EExtended strand (participates in β ladder)trans-62.51-174.725.9-36.6000114.8
57H81.4Confident82.1Confident117 Ų11766.7 Ų66.754%0.54237%0.367SS..EExtended strand (participates in β ladder)trans-72.3136173.6-63.4-48.8000112.5N52 D55N52-H57 PolarHBondContact N-O 3.39Å; D55-H57 VanDerWaalsContact CG-CD2 3.45Å; D55-H57 PolarHBondContact O-N 2.04Å; D55-H57 IonicContact OD1-CD2 3.55Å; D55-H57 PolarHBondContact OD1-CD2 3.08Å; D55-H57 IonicContact OD1-CG 2.76Å; D55-H57 IonicContact OD1-NE2 2.59Å; D55-H57 IonicContact OD2-CD2 3.79Å; D55-H57 PolarHBondContact OD2-CD2 2.74Å; D55-H57 IonicContact OD2-CG 3.05Å
58T86.4Confident81.9Confident52 Ų5267.9 Ų67.932%0.31937%0.37SS..EExtended strand (participates in β ladder)trans-83.8121.7174.340.70000109.5P37 C38 T51P37-T58 VanDerWaalsContact CA-O 3.29Å; P37-T58 WeakPolarHBondContact CA-O 3.49Å; C38-T58 PolarHBondContact N-O 3.37Å; C38-T58 VanDerWaalsContact O-CB 3.29Å; C38-T58 WeakPolarHBondContact O-CB 3.02Å; C38-T58 PolarHBondContact O-OG1 3.18Å; T51-T58 WeakPolarHBondContact OG1-CG2 3.38Å
59L89.6Confident81.7Confident39 Ų3969.9 Ų69.920%0.20438%0.383CS..EExtended strand (participates in β ladder)trans-123.2152.4-177.3-56.8175.1000110.5E36 P37 C38 T50 T61E36-L59 CarbonylContact O-C 3.56Å; E36-L59 VanDerWaalsContact O-CA 3.31Å; E36-L59 WeakPolarHBondContact O-CA 3.41Å; P37-L59 HydrophobicContact CB-CD2 4.24Å; C38-L59 PolarHBondContact SG-O 3.3Å; T50-L59 PolarHBondContact N-O 3.31Å; T50-L59 PolarHBondContact O-N 3.49Å; L59-T61 PolarHBondContact O-N 3.35Å
60C88.9Confident81.2Confident1 Ų173.5 Ų73.51%0.00740%0.401CS..EExtended strand (participates in β ladder)trans-66.9125.6171.5-68.90000110.2K32 V33 I34 G35 E36 C38 C44 C48K32-C60 VanDerWaalsContact CB-SG 3.59Å; V33-C60 VanDerWaalsContact O-CB 3.26Å; V33-C60 WeakPolarHBondContact O-CB 3.27Å; I34-C60 CarbonylContact C-O 3.51Å; I34-C60 WeakPolarHBondContact CA-O 3.29Å; G35-C60 PolarHBondContact N-O 3.17Å; E36-C60 PolarHBondContact O-N 2.59Å; C38-C60 PolarHBondContact SG-N 3.07Å; C44-C60 VanDerWaalsContact CA-SG 3.51Å; C44-C60 HydrophobicContact CB-CB 3.69Å; C44-C60 WeakPolarHBondContact CB-SG 3.34Å; C44-C60 WeakPolarHBondContact SG-CA 3.01Å; C44-C60 WeakPolarHBondContact SG-CB 3.29Å; C44-C60 CovalentContact SG-SG 2.03Å; C44-C60 PolarHBondContact SG-SG 2.95Å; C48-C60 CarbonylContact O-C 3.57Å; C48-C60 WeakPolarHBondContact O-CA 3.49Å
61T87.3Confident80.8Confident20 Ų2075.6 Ų75.612%0.12342%0.415CS..  trans-120.6152.4-179.5520000111.2S46 C48 T50 L59S46-T61 WeakPolarHBondContact CB-O 3.47Å; S46-T61 PolarHBondContact OG-O 3.42Å; C48-T61 VanDerWaalsContact CB-O 3.26Å; C48-T61 WeakPolarHBondContact CB-O 3.45Å; C48-T61 PolarHBondContact O-N 2.88Å; T50-T61 WeakPolarHBondContact OG1-CG2 3.02Å; T50-T61 PolarHBondContact OG1-OG1 3.17Å; L59-T61 PolarHBondContact O-N 3.35Å
62P86.6Confident80.6Confident73 Ų7376.7 Ų76.747%0.47441%0.412SS..PPolyproline II helixtrans-67.7153.2173.328-33.1000111.1I34I34-P62 HydrophobicContact CD1-CB 3.85Å; I34-P62 HydrophobicContact CD1-CG 4.28Å
63K86.8Confident81.1Confident87 Ų8778.3 Ų78.338%0.37842%0.417SS..PPolyproline II helixtrans-70.5145.7165.9-81178.7171.9170.50110.2S46 C48 L67S46-K63 WeakPolarHBondContact O-CD 3.31Å; S46-K63 WeakPolarHBondContact O-CE 3.36Å; C48-K63 WeakPolarHBondContact SG-CG 3.44Å; K63-L67 HydrophobicContact CD-CB 4.39Å; K63-L67 HydrophobicContact CD-CD2 4.21Å
64T84Confident82.1Confident47 Ų4777.4 Ų77.429%0.28841%0.407SS..PPolyproline II helixtrans-68169.916667.30000110.6L66 L67 Q68 L70T64-L66 PolarHBondContact O-N 3.34Å; T64-L66 VanDerWaalsContact O-N 3.09Å; T64-L66 PolarHBondContact OG1-N 3.29Å; T64-L67 WeakPolarHBondContact O-CA 3.37Å; T64-L67 PolarHBondContact O-N 2.54Å; T64-Q68 PolarHBondContact N-O 3.44Å; T64-Q68 PolarHBondContact OG1-N 2.74Å; T64-L70 HydrophobicContact CG2-CB 4.47Å; T64-L70 HydrophobicContact CG2-CD1 3.68Å; T64-L70 HydrophobicContact CG2-CG 3.96Å
65I82.6Confident83Confident176 Ų17674.6 Ų74.690%0.90340%0.395SS*.THydrogen-bonded Turntrans-55.9-26.5172.4-65.1164.9000111.4L67I65-L67 VanDerWaalsContact C-N 3.25Å; I65-L67 PolarHBondContact O-N 3.31Å
66L85.8Confident84Confident130 Ų13075.9 Ų75.968%0.68140%0.402SS*.THydrogen-bonded Turntrans-86.412.1176-57.6178.7000113.4T64 Q68T64-L66 PolarHBondContact O-N 3.34Å; T64-L66 VanDerWaalsContact O-N 3.09Å; T64-L66 PolarHBondContact OG1-N 3.29Å; L66-Q68 HydrophobicContact CB-CG 4.21Å; L66-Q68 PolarHBondContact O-N 3.4Å
67L83.8Confident84.3Confident130 Ų13073.2 Ų73.268%0.68140%0.395SS*.SBendtrans59.821-177.3-56.3174.4000114.6K63 T64 I65K63-L67 HydrophobicContact CD-CB 4.39Å; K63-L67 HydrophobicContact CD-CD2 4.21Å; T64-L67 WeakPolarHBondContact O-CA 3.37Å; T64-L67 PolarHBondContact O-N 2.54Å; I65-L67 VanDerWaalsContact C-N 3.25Å; I65-L67 PolarHBondContact O-N 3.31Å
68Q85Confident84.5Confident99 Ų9973.1 Ų73.146%0.46339%0.391SS..  trans-88.7140.8178.7-63.4177.8-8.100111.2T64 L66 L70T64-Q68 PolarHBondContact N-O 3.44Å; T64-Q68 PolarHBondContact OG1-N 2.74Å; L66-Q68 HydrophobicContact CB-CG 4.21Å; L66-Q68 PolarHBondContact O-N 3.4Å; Q68-L70 HydrophobicContact CB-CD2 4.43Å; Q68-L70 HydrophobicContact CB-CG 4.36Å
69C85.4Confident84.5Confident42 Ų4277.8 Ų77.828%0.28440%0.402SS..  trans-86.1105.7167-57.30000108.3N47 C48 T50N47-C69 PolarHBondContact O-SG 3.07Å; C48-C69 WeakPolarHBondContact CA-SG 3.46Å; C48-C69 HydrophobicContact CB-CB 3.7Å; C48-C69 WeakPolarHBondContact CB-SG 3.34Å; C48-C69 WeakPolarHBondContact SG-CA 3.25Å; C48-C69 WeakPolarHBondContact SG-CB 3.39Å; C48-C69 CovalentContact SG-SG 2.03Å; C48-C69 PolarHBondContact SG-SG 3.45Å; T50-C69 HydrophobicContact CG2-CB 4.09Å
70L81.3Confident84.3Confident90 Ų9076.3 Ų76.347%0.47140%0.395SS..  trans-106.3134.1175.5-63.8-177.5000109.4T64 Q68T64-L70 HydrophobicContact CG2-CB 4.47Å; T64-L70 HydrophobicContact CG2-CD1 3.68Å; T64-L70 HydrophobicContact CG2-CG 3.96Å; Q68-L70 HydrophobicContact CB-CD2 4.43Å; Q68-L70 HydrophobicContact CB-CG 4.36Å
71P79.1Confident84.3Confident60 Ų6081.1 Ų81.139%0.3943%0.429SS..  trans-59.8146.2170.127.2-32.9000109.3T51 K73T51-P71 VanDerWaalsContact O-CB 3.31Å; T51-P71 WeakPolarHBondContact O-CB 3.41Å; P71-K73 PolarHBondContact O-N 2.03Å
72W78.6Confident84.2Confident92 Ų9284.1 Ų84.135%0.34844%0.444SS..  trans-62.5128.7172.5-175.995.3000108.9S53 L54 K74 P75S53-W72 PolarHBondContact N-O 2.79Å; L54-W72 HydrophobicContact CB-CZ3 4.47Å; L54-W72 HydrophobicContact CD1-CE3 4.47Å; L54-W72 HydrophobicContact CD1-CH2 3.35Å; L54-W72 HydrophobicContact CD1-CZ2 4.27Å; L54-W72 HydrophobicContact CD1-CZ3 3.5Å; L54-W72 VanDerWaalsContact CD1-CZ3 3.5Å; L54-W72 HydrophobicContact CG-CH2 3.95Å; L54-W72 HydrophobicContact CG-CZ3 3.59Å; W72-K74 HydrophobicContact CH2-CB 4.36Å; W72-K74 HydrophobicContact CH2-CG 4.07Å; W72-K74 HydrophobicContact CZ3-CB 4.33Å; W72-K74 HydrophobicContact CZ3-CG 3.76Å; W72-P75 HydrophobicContact CZ2-CG 4.44Å
73K84.5Confident84.2Confident69 Ų6984.2 Ų84.230%0.344%0.44SS..  trans-118.4151177-66.8-170.9177.1-162.90109.9P71 S84 E85 C86 Q87P71-K73 PolarHBondContact O-N 2.03Å; K73-S84 WeakPolarHBondContact CD-O 3.33Å; K73-S84 VanDerWaalsContact CE-O 3.27Å; K73-S84 WeakPolarHBondContact CE-O 3.28Å; K73-S84 PolarHBondContact NZ-O 3.09Å; K73-E85 CarbonylContact C-O 3.6Å; K73-E85 WeakPolarHBondContact CB-O 3.48Å; K73-C86 WeakPolarHBondContact CD-O 3.48Å; K73-Q87 HydrophobicContact CB-CB 4.13Å
74K84.2Confident84.1Confident27 Ų2783.4 Ų83.412%0.11745%0.446CS..BIsolated β-bridgetrans-60.8129-178.7-66.6177.8-176.7176.20111W72 Y78 R79 E85 C86 Q87W72-K74 HydrophobicContact CH2-CB 4.36Å; W72-K74 HydrophobicContact CH2-CG 4.07Å; W72-K74 HydrophobicContact CZ3-CB 4.33Å; W72-K74 HydrophobicContact CZ3-CG 3.76Å; K74-Y78 HydrophobicContact CB-CG 4.49Å; K74-R79 VanDerWaalsContact CD-O 3.32Å; K74-R79 WeakPolarHBondContact CD-O 3.19Å; K74-R79 PolarHBondContact NZ-O 3.24Å; K74-E85 WeakPolarHBondContact CB-O 3.05Å; K74-E85 HydrophobicContact CD-CB 4.22Å; K74-E85 WeakPolarHBondContact CE-OE2 3.5Å; K74-E85 PolarHBondContact N-O 2.85Å; K74-E85 IonicContact NZ-OE2 2.79Å; K74-E85 PolarHBondContact NZ-OE2 3.48Å; K74-C86 WeakPolarHBondContact O-CA 3.35Å; K74-Q87 PolarHBondContact O-N 2.9Å
75P84.6Confident84.2Confident41 Ų4182.8 Ų82.827%0.26644%0.44SS..PPolyproline II helixtrans-76.9172.9174.831.6-33000110.7W72 Y78 C102W72-P75 HydrophobicContact CZ2-CG 4.44Å; P75-Y78 HydrophobicContact CG-CD2 3.54Å; P75-Y78 HydrophobicContact CG-CE2 3.38Å; P75-Y78 HydrophobicContact CG-CG 4.46Å; P75-Y78 WeakPolarHBondContact O-CD2 3.47Å; P75-Y78 PolarHBondContact O-N 3.05Å; P75-C102 WeakPolarHBondContact O-CB 3.33Å
76N85.3Confident84.4Confident91 Ų9174.4 Ų74.449%0.48740%0.397SS..THydrogen-bonded Turntrans-56.7141.1-178.4-62.1-30.4000111.9C102 T103 S104N76-C102 CarbonylContact C-O 3.5Å; N76-C102 VanDerWaalsContact CA-O 3.31Å; N76-C102 WeakPolarHBondContact CA-O 3.43Å; N76-T103 PolarHBondContact OD1-O 2.98Å; N76-S104 PolarHBondContact OD1-N 3.18Å
77G79.7Confident84.5Confident55 Ų5575 Ų7557%0.56740%0.396SS*.THydrogen-bonded Turntrans90.3-11-179.900000115.2F101 C102G77-F101 WeakPolarHBondContact O-CD1 3.39Å; G77-C102 PolarHBondContact N-O 2.74Å
78Y84.6Confident84.6Confident115 Ų11569.9 Ų69.945%0.45137%0.371SS..SBendtrans-78.5149.1173.4-78.3-107.8000111.3K74 P75 F101 C102K74-Y78 HydrophobicContact CB-CG 4.49Å; P75-Y78 HydrophobicContact CG-CD2 3.54Å; P75-Y78 HydrophobicContact CG-CE2 3.38Å; P75-Y78 HydrophobicContact CG-CG 4.46Å; P75-Y78 WeakPolarHBondContact O-CD2 3.47Å; P75-Y78 PolarHBondContact O-N 3.05Å; Y78-F101 CarbonylContact O-C 3.5Å; Y78-F101 VanDerWaalsContact O-CA 3.22Å; Y78-F101 WeakPolarHBondContact O-CA 3.36Å; Y78-C102 PolarHBondContact O-N 3.26Å
79R86.2Confident84.8Confident149 Ų14967.7 Ų67.756%0.56237%0.366SS*.BIsolated β-bridgetrans-69.3136.5175.1-68.4177.768.7-174.5-1.9110.6K74 E100 F101K74-R79 VanDerWaalsContact CD-O 3.32Å; K74-R79 WeakPolarHBondContact CD-O 3.19Å; K74-R79 PolarHBondContact NZ-O 3.24Å; R79-E100 WeakPolarHBondContact CA-O 3.25Å; R79-F101 HydrophobicContact CG-CD1 3.82Å; R79-F101 HydrophobicContact CG-CE1 3.48Å; R79-F101 VanDerWaalsContact CG-CE1 3.48Å; R79-F101 HydrophobicContact CG-CZ 4.29Å
80C86.3Confident85Confident8 Ų865.7 Ų65.75%0.05435%0.353CS..  trans-134159.7178.354.50000110.1E85 C86 C91 E100 F101 C102C80-E85 WeakPolarHBondContact CA-OE2 3.37Å; C80-E85 HydrophobicContact CB-CB 4.43Å; C80-C86 VanDerWaalsContact CB-SG 3.6Å; C80-C86 VanDerWaalsContact SG-SG 3.69Å; C80-C91 HydrophobicContact CB-CB 3.84Å; C80-C91 WeakPolarHBondContact CB-SG 3.22Å; C80-C91 WeakPolarHBondContact SG-CA 3.36Å; C80-C91 WeakPolarHBondContact SG-CB 3.24Å; C80-C91 CovalentContact SG-SG 2.02Å; C80-C91 PolarHBondContact SG-SG 2.94Å; C80-E100 PolarHBondContact N-O 2.6Å; C80-F101 VanDerWaalsContact SG-CA 3.58Å; C80-C102 PolarHBondContact SG-N 3.3Å; C80-C102 VanDerWaalsContact SG-N 3.44Å
81S88.1Confident85.4Confident102 Ų10262 Ų6271%0.71334%0.335SS*.SBendtrans-118.6-26169.8-64.60000111.6E85S81-E85 WeakPolarHBondContact CA-OE1 3.15Å; S81-E85 WeakPolarHBondContact CB-OE1 3.02Å; S81-E85 PolarHBondContact N-OE1 3.28Å
82D85.5Confident85.8Confident84 Ų8460.4 Ų60.445%0.44932%0.324SS..SBendtrans-128.5152.6173.7-173.6-99.9000112.3S84 E85D82-S84 VanDerWaalsContact C-N 3.26Å; D82-S84 PolarHBondContact O-N 2.04Å; D82-S84 WeakPolarHBondContact OD1-CB 3.19Å; D82-S84 PolarHBondContact OD1-N 2.8Å; D82-S84 PolarHBondContact OD1-OG 2.83Å; D82-E85 HydrophobicContact CB-CG 4.41Å; D82-E85 PolarHBondContact N-OE1 3.38Å; D82-E85 WeakPolarHBondContact O-CB 2.99Å; D82-E85 PolarHBondContact O-N 3.44Å
83N87.2Confident85.9Confident74 Ų7463.4 Ų63.440%0.39634%0.335SS..G310 helixtrans-58.3-37.2177-78.6-23.9000112.5E85 C86 S89 C91N83-E85 PolarHBondContact O-N 2.88Å; N83-C86 PolarHBondContact O-N 2.94Å; N83-C86 VanDerWaalsContact O-N 3.1Å; N83-S89 WeakPolarHBondContact CB-O 3.05Å; N83-S89 CarbonylContact O-C 3.55Å; N83-S89 VanDerWaalsContact O-CA 3.25Å; N83-S89 WeakPolarHBondContact O-CA 3.41Å; N83-C91 WeakPolarHBondContact OD1-CA 3.02Å; N83-C91 WeakPolarHBondContact OD1-CB 3.36Å; N83-C91 PolarHBondContact OD1-N 3.02Å; N83-C91 PolarHBondContact OD1-O 3.45Å
84S84.9Confident85.2Confident70 Ų7061.3 Ų61.349%0.4933%0.327SS..G310 helixtrans-64.4-22.6-175.865.30000113.7K73 D82 C86K73-S84 WeakPolarHBondContact CD-O 3.33Å; K73-S84 VanDerWaalsContact CE-O 3.27Å; K73-S84 WeakPolarHBondContact CE-O 3.28Å; K73-S84 PolarHBondContact NZ-O 3.09Å; D82-S84 VanDerWaalsContact C-N 3.26Å; D82-S84 PolarHBondContact O-N 2.04Å; D82-S84 WeakPolarHBondContact OD1-CB 3.19Å; D82-S84 PolarHBondContact OD1-N 2.8Å; D82-S84 PolarHBondContact OD1-OG 2.83Å; S84-C86 VanDerWaalsContact C-N 3.26Å; S84-C86 PolarHBondContact O-N 3.22Å
85E85.9Confident84Confident35 Ų3566.4 Ų66.416%0.16436%0.356CS..G310 helixtrans-68-26.8176.4-61.8177.1-135.900112.3K73 K74 C80 S81 D82 N83K73-E85 CarbonylContact C-O 3.6Å; K73-E85 WeakPolarHBondContact CB-O 3.48Å; K74-E85 WeakPolarHBondContact CB-O 3.05Å; K74-E85 HydrophobicContact CD-CB 4.22Å; K74-E85 WeakPolarHBondContact CE-OE2 3.5Å; K74-E85 PolarHBondContact N-O 2.85Å; K74-E85 IonicContact NZ-OE2 2.79Å; K74-E85 PolarHBondContact NZ-OE2 3.48Å; C80-E85 WeakPolarHBondContact CA-OE2 3.37Å; C80-E85 HydrophobicContact CB-CB 4.43Å; S81-E85 WeakPolarHBondContact CA-OE1 3.15Å; S81-E85 WeakPolarHBondContact CB-OE1 3.02Å; S81-E85 PolarHBondContact N-OE1 3.28Å; D82-E85 HydrophobicContact CB-CG 4.41Å; D82-E85 PolarHBondContact N-OE1 3.38Å; D82-E85 WeakPolarHBondContact O-CB 2.99Å; D82-E85 PolarHBondContact O-N 3.44Å; N83-E85 PolarHBondContact O-N 2.88Å
86C87.5Confident82.8Confident0 Ų071.7 Ų71.70%038%0.375CS..BIsolated β-bridgetrans-90.8140.4-174.5-590000111.6K73 K74 C80 N83 S84 S88 S89 C90 C102K73-C86 WeakPolarHBondContact CD-O 3.48Å; K74-C86 WeakPolarHBondContact O-CA 3.35Å; C80-C86 VanDerWaalsContact CB-SG 3.6Å; C80-C86 VanDerWaalsContact SG-SG 3.69Å; N83-C86 PolarHBondContact O-N 2.94Å; N83-C86 VanDerWaalsContact O-N 3.1Å; S84-C86 VanDerWaalsContact C-N 3.26Å; S84-C86 PolarHBondContact O-N 3.22Å; C86-S88 PolarHBondContact O-N 3.2Å; C86-S89 PolarHBondContact O-N 3Å; C86-C90 PolarHBondContact SG-O 2.95Å; C86-C90 VanDerWaalsContact SG-O 3.41Å; C86-C102 VanDerWaalsContact CA-SG 3.5Å; C86-C102 HydrophobicContact CB-CB 3.67Å; C86-C102 WeakPolarHBondContact CB-SG 3.11Å; C86-C102 WeakPolarHBondContact SG-CA 2.95Å; C86-C102 WeakPolarHBondContact SG-CB 3.49Å; C86-C102 CovalentContact SG-SG 2.04Å; C86-C102 PolarHBondContact SG-SG 3.44Å
87Q87.3Confident81.5Confident143 Ų14369 Ų6967%0.66836%0.363SS*.THydrogen-bonded Turntrans-59.3-36.7176.3-174.9-179.37.600111.8K73 K74 S89K73-Q87 HydrophobicContact CB-CB 4.13Å; K74-Q87 PolarHBondContact O-N 2.9Å; Q87-S89 VanDerWaalsContact C-N 3.26Å; Q87-S89 PolarHBondContact O-N 3.1Å
88S86.4Confident80.9Confident21 Ų2171.9 Ų71.915%0.14737%0.371CS..THydrogen-bonded Turntrans-80.51.5174.656.80000113.8C86 C90 T103 Q105C86-S88 PolarHBondContact O-N 3.2Å; S88-C90 PolarHBondContact O-N 2.02Å; S88-C90 PolarHBondContact O-SG 2.77Å; S88-T103 WeakPolarHBondContact CB-O 3.44Å; S88-T103 PolarHBondContact OG-O 3.41Å; S88-Q105 VanDerWaalsContact O-CG 3.25Å; S88-Q105 WeakPolarHBondContact O-CG 3.28Å; S88-Q105 PolarHBondContact O-NE2 2.87Å
89S89Confident80.5Confident53 Ų5371.1 Ų71.137%0.37137%0.37SS..SBendtrans54.125.6-173.4-56.10000114.5N83 C86 Q87N83-S89 WeakPolarHBondContact CB-O 3.05Å; N83-S89 CarbonylContact O-C 3.55Å; N83-S89 VanDerWaalsContact O-CA 3.25Å; N83-S89 WeakPolarHBondContact O-CA 3.41Å; C86-S89 PolarHBondContact O-N 3Å; Q87-S89 VanDerWaalsContact C-N 3.26Å; Q87-S89 PolarHBondContact O-N 3.1Å
90C89.6Confident80.5Confident0 Ų066.5 Ų66.50%036%0.355CS..  trans-129.8107.5-176.3-74.40000111.4C86 S88 C102 T103 Q105 C111C86-C90 PolarHBondContact SG-O 2.95Å; C86-C90 VanDerWaalsContact SG-O 3.41Å; S88-C90 PolarHBondContact O-N 2.02Å; S88-C90 PolarHBondContact O-SG 2.77Å; C90-C102 CarbonylContact O-C 3.59Å; C90-C102 VanDerWaalsContact O-CA 3.24Å; C90-C102 WeakPolarHBondContact O-CA 3.36Å; C90-T103 WeakPolarHBondContact CB-O 3.39Å; C90-T103 PolarHBondContact O-N 3.33Å; C90-Q105 HydrophobicContact CB-CG 4.48Å; C90-Q105 WeakPolarHBondContact SG-CG 3.07Å; C90-Q105 PolarHBondContact SG-NE2 3.24Å; C90-Q105 VanDerWaalsContact SG-NE2 3.44Å; C90-C111 VanDerWaalsContact CA-SG 3.54Å; C90-C111 HydrophobicContact CB-CB 3.68Å; C90-C111 WeakPolarHBondContact CB-SG 3.31Å; C90-C111 WeakPolarHBondContact SG-CA 3.4Å; C90-C111 WeakPolarHBondContact SG-CB 3.04Å; C90-C111 CovalentContact SG-SG 2.03Å; C90-C111 PolarHBondContact SG-SG 2.94Å
91C89.4Confident80.6Confident14 Ų1468.6 Ų68.610%0.09536%0.364CS..EExtended strand (participates in β ladder)trans-108.7107.7171.5-171.60000108.5C80 N83 E100C80-C91 HydrophobicContact CB-CB 3.84Å; C80-C91 WeakPolarHBondContact CB-SG 3.22Å; C80-C91 WeakPolarHBondContact SG-CA 3.36Å; C80-C91 WeakPolarHBondContact SG-CB 3.24Å; C80-C91 CovalentContact SG-SG 2.02Å; C80-C91 PolarHBondContact SG-SG 2.94Å; N83-C91 WeakPolarHBondContact OD1-CA 3.02Å; N83-C91 WeakPolarHBondContact OD1-CB 3.36Å; N83-C91 PolarHBondContact OD1-N 3.02Å; N83-C91 PolarHBondContact OD1-O 3.45Å; C91-E100 VanDerWaalsContact SG-CB 3.55Å
92V87.3Confident80.6Confident25 Ų2563.8 Ų63.815%0.15233%0.33CS..EExtended strand (participates in β ladder)trans-126.3146.8-173.7-58.40000111.4E100 F101 T103 C111V92-E100 WeakPolarHBondContact O-CA 3.39Å; V92-F101 PolarHBondContact N-O 3.44Å; V92-F101 PolarHBondContact O-N 2.03Å; V92-T103 HydrophobicContact CG2-CG2 3.2Å; V92-T103 WeakPolarHBondContact CG2-OG1 3.07Å; V92-C111 HydrophobicContact CG1-CB 3.86Å
93R80.9Confident80.7Confident155 Ų15560.4 Ų60.459%0.58531%0.312SS*.EExtended strand (participates in β ladder)trans-76.5135.5177.7-166.3169.7-64.2151.76.2110.8E100R93-E100 HydrophobicContact CB-CG 4.05Å; R93-E100 HydrophobicContact CG-CG 4.44Å; R93-E100 IonicContact CZ-OE1 2.65Å; R93-E100 IonicContact NE-OE1 3.81Å; R93-E100 IonicContact NH2-OE1 3.19Å; R93-E100 PolarHBondContact NH2-OE1 3.34Å
94N69.2Low80.6Confident26 Ų2659.7 Ų59.714%0.13931%0.313CS..  trans-80.5131.8167.3-172.6-17.2000109.1K96 S97 F101 W114N94-K96 PolarHBondContact O-N 3.34Å; N94-K96 PolarHBondContact OD1-N 2.81Å; N94-S97 PolarHBondContact O-N 3.47Å; N94-F101 HydrophobicContact CB-CD2 4.42Å; N94-F101 HydrophobicContact CB-CE2 4.48Å; N94-W114 VanDerWaalsContact CG-CE3 3.42Å; N94-W114 WeakPolarHBondContact ND2-CZ3 3.32Å; N94-W114 WeakPolarHBondContact OD1-CZ3 3.44Å
95N60.2Low80.7Confident134 Ų13459.5 Ų59.572%0.71730%0.304SS*.THydrogen-bonded Turntrans-54.7-22.9-177.3-160.6-0.2000113.6
96K59.3Low80.5Confident152 Ų15260.1 Ų60.166%0.66131%0.311SS*.THydrogen-bonded Turntrans-96-9.7179.9-71.8-169.8168.1-172.50115.9N94 K116N94-K96 PolarHBondContact O-N 3.34Å; N94-K96 PolarHBondContact OD1-N 2.81Å; K96-K116 VanDerWaalsContact CE-NZ 3.31Å
97S58.1Low80.3Confident34 Ų3467.4 Ų67.424%0.23835%0.348CS..  trans-140.4141-176.365.20000111N94 K99N94-S97 PolarHBondContact O-N 3.47Å; S97-K99 PolarHBondContact O-N 2.76Å
98P66.5Low80.3Confident115 Ų11567.8 Ų67.875%0.74735%0.348SS*.SBendtrans-65.3-5.1175.228.7-35.3000113.2
99K76.4Confident80.1Confident100 Ų10073 Ų7344%0.43537%0.374SS..  trans-85.4135.5-177-61.7178.3-178.2176.90110.5S97 F101S97-K99 PolarHBondContact O-N 2.76Å; K99-F101 HydrophobicContact CB-CE2 3.73Å; K99-F101 HydrophobicContact CB-CZ 3.81Å; K99-F101 WeakPolarHBondContact O-CD2 3.25Å; K99-F101 VanDerWaalsContact O-CE2 3.3Å; K99-F101 WeakPolarHBondContact O-CE2 2.99Å
100E85.8Confident79.9Confident51 Ų5176.7 Ų76.724%0.23839%0.385CS..EExtended strand (participates in β ladder)trans-95.4143.9176.3-63.6173.4-17500110.4R79 C80 C91 V92 R93R79-E100 WeakPolarHBondContact CA-O 3.25Å; C80-E100 PolarHBondContact N-O 2.6Å; C91-E100 VanDerWaalsContact SG-CB 3.55Å; V92-E100 WeakPolarHBondContact O-CA 3.39Å; R93-E100 HydrophobicContact CB-CG 4.05Å; R93-E100 HydrophobicContact CG-CG 4.44Å; R93-E100 IonicContact CZ-OE1 2.65Å; R93-E100 IonicContact NE-OE1 3.81Å; R93-E100 IonicContact NH2-OE1 3.19Å; R93-E100 PolarHBondContact NH2-OE1 3.34Å
101F87.4Confident79.7Confident53 Ų5379.1 Ų79.123%0.23240%0.401CS..EExtended strand (participates in β ladder)trans-136.3149.8-176.4-58.6-90000111G77 Y78 R79 C80 V92 N94 K99 T103G77-F101 WeakPolarHBondContact O-CD1 3.39Å; Y78-F101 CarbonylContact O-C 3.5Å; Y78-F101 VanDerWaalsContact O-CA 3.22Å; Y78-F101 WeakPolarHBondContact O-CA 3.36Å; R79-F101 HydrophobicContact CG-CD1 3.82Å; R79-F101 HydrophobicContact CG-CE1 3.48Å; R79-F101 VanDerWaalsContact CG-CE1 3.48Å; R79-F101 HydrophobicContact CG-CZ 4.29Å; C80-F101 VanDerWaalsContact SG-CA 3.58Å; V92-F101 PolarHBondContact N-O 3.44Å; V92-F101 PolarHBondContact O-N 2.03Å; N94-F101 HydrophobicContact CB-CD2 4.42Å; N94-F101 HydrophobicContact CB-CE2 4.48Å; K99-F101 HydrophobicContact CB-CE2 3.73Å; K99-F101 HydrophobicContact CB-CZ 3.81Å; K99-F101 WeakPolarHBondContact O-CD2 3.25Å; K99-F101 VanDerWaalsContact O-CE2 3.3Å; K99-F101 WeakPolarHBondContact O-CE2 2.99Å; F101-T103 PolarHBondContact O-N 2.65Å
102C88.4Confident79.3Confident1 Ų180.2 Ų80.21%0.00741%0.407CS..EExtended strand (participates in β ladder)trans-65.3130.1173.8-65.30000110.4P75 N76 G77 Y78 C80 C86 C90P75-C102 WeakPolarHBondContact O-CB 3.33Å; N76-C102 CarbonylContact C-O 3.5Å; N76-C102 VanDerWaalsContact CA-O 3.31Å; N76-C102 WeakPolarHBondContact CA-O 3.43Å; G77-C102 PolarHBondContact N-O 2.74Å; Y78-C102 PolarHBondContact O-N 3.26Å; C80-C102 PolarHBondContact SG-N 3.3Å; C80-C102 VanDerWaalsContact SG-N 3.44Å; C86-C102 VanDerWaalsContact CA-SG 3.5Å; C86-C102 HydrophobicContact CB-CB 3.67Å; C86-C102 WeakPolarHBondContact CB-SG 3.11Å; C86-C102 WeakPolarHBondContact SG-CA 2.95Å; C86-C102 WeakPolarHBondContact SG-CB 3.49Å; C86-C102 CovalentContact SG-SG 2.04Å; C86-C102 PolarHBondContact SG-SG 3.44Å; C90-C102 CarbonylContact O-C 3.59Å; C90-C102 VanDerWaalsContact O-CA 3.24Å; C90-C102 WeakPolarHBondContact O-CA 3.36Å
103T88.2Confident78.7Confident12 Ų1281.7 Ų81.77%0.07442%0.417CS..  trans-130.3161.9177.162.50000112.4N76 S88 C90 V92 F101 V112 W114N76-T103 PolarHBondContact OD1-O 2.98Å; S88-T103 WeakPolarHBondContact CB-O 3.44Å; S88-T103 PolarHBondContact OG-O 3.41Å; C90-T103 WeakPolarHBondContact CB-O 3.39Å; C90-T103 PolarHBondContact O-N 3.33Å; V92-T103 HydrophobicContact CG2-CG2 3.2Å; V92-T103 WeakPolarHBondContact CG2-OG1 3.07Å; F101-T103 PolarHBondContact O-N 2.65Å; T103-V112 WeakPolarHBondContact CB-O 3.26Å; T103-V112 PolarHBondContact OG1-O 2.92Å; T103-W114 HydrophobicContact CG2-CB 4.32Å
104S85.8Confident78.4Confident60 Ų6080.1 Ų80.142%0.4241%0.412SS..PPolyproline II helixtrans-67.4154.2177.754.90000112.6N76 V112N76-S104 PolarHBondContact OD1-N 3.18Å; S104-V112 PolarHBondContact O-N 2.57Å; S104-V112 VanDerWaalsContact O-N 3.08Å
105Q86.8Confident78.9Confident65 Ų6582 Ų8230%0.30442%0.417SS..BIsolated β-bridgetrans-91153.3164.9-76.5-176.3-5.500111.3S88 C90 L109 Q110S88-Q105 VanDerWaalsContact O-CG 3.25Å; S88-Q105 WeakPolarHBondContact O-CG 3.28Å; S88-Q105 PolarHBondContact O-NE2 2.87Å; C90-Q105 HydrophobicContact CB-CG 4.48Å; C90-Q105 WeakPolarHBondContact SG-CG 3.07Å; C90-Q105 PolarHBondContact SG-NE2 3.24Å; C90-Q105 VanDerWaalsContact SG-NE2 3.44Å; Q105-L109 VanDerWaalsContact OE1-CD2 3.3Å; Q105-Q110 CarbonylContact C-O 3.52Å; Q105-Q110 WeakPolarHBondContact CA-O 3.43Å
106T81.9Confident79.9Confident48 Ų4876.3 Ų76.329%0.29439%0.386SS..PPolyproline II helixtrans-72.4170.9164.168.10000110.7F108 L109 Q110 V112T106-F108 PolarHBondContact O-N 2.87Å; T106-F108 PolarHBondContact OG1-N 2.93Å; T106-L109 PolarHBondContact O-N 3.39Å; T106-Q110 HydrophobicContact CG2-CB 4.39Å; T106-Q110 PolarHBondContact N-O 3.36Å; T106-Q110 WeakPolarHBondContact OG1-CB 3.42Å; T106-Q110 PolarHBondContact OG1-N 2.93Å; T106-V112 HydrophobicContact CG2-CG2 3.41Å; T106-V112 VanDerWaalsContact CG2-CG2 3.41Å
107I82Confident81.1Confident153 Ų15372.5 Ų72.579%0.78538%0.376SS*.THydrogen-bonded Turntrans-57.3-19.8170.861.8169.9000113.3L109I107-L109 VanDerWaalsContact C-N 3.35Å
108F86.8Confident82.4Confident152 Ų15274.9 Ų74.967%0.66739%0.386SS*.THydrogen-bonded Turntrans-96.217.4177.2-56.2-69.1000112.7T106 Q110T106-F108 PolarHBondContact O-N 2.87Å; T106-F108 PolarHBondContact OG1-N 2.93Å; F108-Q110 HydrophobicContact CB-CG 4.42Å; F108-Q110 PolarHBondContact O-N 3.35Å; F108-Q110 VanDerWaalsContact O-N 3.17Å
109L83.1Confident83.3Confident131 Ų13171.2 Ų71.269%0.68637%0.369SS*.SBendtrans60.223.2-179.9-52.3174.4000114.1Q105 T106 I107Q105-L109 VanDerWaalsContact OE1-CD2 3.3Å; T106-L109 PolarHBondContact O-N 3.39Å; I107-L109 VanDerWaalsContact C-N 3.35Å
110Q84.9Confident83.8Confident129 Ų12969.9 Ų69.960%0.60337%0.367SS*.PPolyproline II helixtrans-90.7132.5176.4-63.5177.8-11.800110.3Q105 T106 F108 V112Q105-Q110 CarbonylContact C-O 3.52Å; Q105-Q110 WeakPolarHBondContact CA-O 3.43Å; T106-Q110 HydrophobicContact CG2-CB 4.39Å; T106-Q110 PolarHBondContact N-O 3.36Å; T106-Q110 WeakPolarHBondContact OG1-CB 3.42Å; T106-Q110 PolarHBondContact OG1-N 2.93Å; F108-Q110 HydrophobicContact CB-CG 4.42Å; F108-Q110 PolarHBondContact O-N 3.35Å; F108-Q110 VanDerWaalsContact O-N 3.17Å; Q110-V112 PolarHBondContact O-N 2.84Å
111C85.9Confident84Confident52 Ų5272.9 Ų72.935%0.35138%0.38SS..BIsolated β-bridgetrans-65.2126.2176.2-61.60000111.1C90 V92 P113C90-C111 VanDerWaalsContact CA-SG 3.54Å; C90-C111 HydrophobicContact CB-CB 3.68Å; C90-C111 WeakPolarHBondContact CB-SG 3.31Å; C90-C111 WeakPolarHBondContact SG-CA 3.4Å; C90-C111 WeakPolarHBondContact SG-CB 3.04Å; C90-C111 CovalentContact SG-SG 2.03Å; C90-C111 PolarHBondContact SG-SG 2.94Å; V92-C111 HydrophobicContact CG1-CB 3.86Å; C111-P113 WeakPolarHBondContact O-CD 3.44Å
112V79.6Confident84Confident36 Ų3670.8 Ų70.822%0.21837%0.371CS..PPolyproline II helixtrans-89.2119.3175.5-171.70000108.1T103 S104 T106 Q110T103-V112 WeakPolarHBondContact CB-O 3.26Å; T103-V112 PolarHBondContact OG1-O 2.92Å; S104-V112 PolarHBondContact O-N 2.57Å; S104-V112 VanDerWaalsContact O-N 3.08Å; T106-V112 HydrophobicContact CG2-CG2 3.41Å; T106-V112 VanDerWaalsContact CG2-CG2 3.41Å; Q110-V112 PolarHBondContact O-N 2.84Å
113P75Confident83.9Confident56 Ų5676.1 Ų76.136%0.36441%0.409SS..PPolyproline II helixtrans-61143.6171.425.3-31.9000109.1C111 R115C111-P113 WeakPolarHBondContact O-CD 3.44Å; P113-R115 WeakPolarHBondContact O-CG 3.38Å; P113-R115 PolarHBondContact O-N 3.33Å
114W74.9Confident83.7Confident123 Ų12377.8 Ų77.847%0.46642%0.421SS..PPolyproline II helixtrans-59132.4173-179.491.9000109.5N94 T103 K116N94-W114 VanDerWaalsContact CG-CE3 3.42Å; N94-W114 WeakPolarHBondContact ND2-CZ3 3.32Å; N94-W114 WeakPolarHBondContact OD1-CZ3 3.44Å; T103-W114 HydrophobicContact CG2-CB 4.32Å; W114-K116 HydrophobicContact CH2-CB 4.49Å; W114-K116 HydrophobicContact CH2-CG 3.91Å; W114-K116 HydrophobicContact CZ3-CG 3.83Å
115R79.4Confident83.7Confident66 Ų6679.3 Ų79.325%0.24942%0.421CS..  trans-128.9148.9178.9-56.7-164.7-179.6107.70.2110.3P113 Q126 E127 C128P113-R115 WeakPolarHBondContact O-CG 3.38Å; P113-R115 PolarHBondContact O-N 3.33Å; R115-Q126 VanDerWaalsContact CD-O 3.25Å; R115-Q126 WeakPolarHBondContact CD-O 3.3Å; R115-Q126 PolarHBondContact NE-O 3.17Å; R115-E127 CarbonylContact C-O 3.55Å; R115-E127 WeakPolarHBondContact CA-O 3.41Å; R115-C128 VanDerWaalsContact CB-C 3.5Å; R115-C128 WeakPolarHBondContact CD-O 3.39Å
116K80.9Confident83.4Confident14 Ų1483.6 Ų83.66%0.06144%0.441CS..BIsolated β-bridgetrans-63.8139.3-179.1-64.4174.8-177.9173.10111.2K96 W114 N120 F121 E127 S129K96-K116 VanDerWaalsContact CE-NZ 3.31Å; W114-K116 HydrophobicContact CH2-CB 4.49Å; W114-K116 HydrophobicContact CH2-CG 3.91Å; W114-K116 HydrophobicContact CZ3-CG 3.83Å; K116-N120 HydrophobicContact CB-CB 4.06Å; K116-N120 HydrophobicContact CD-CB 4.29Å; K116-F121 VanDerWaalsContact CD-O 3.31Å; K116-F121 WeakPolarHBondContact CD-O 3.27Å; K116-F121 PolarHBondContact NZ-O 3.18Å; K116-E127 WeakPolarHBondContact CB-O 3.31Å; K116-E127 HydrophobicContact CD-CB 4.34Å; K116-E127 WeakPolarHBondContact CE-OE2 3.32Å; K116-E127 PolarHBondContact N-O 3.35Å; K116-E127 IonicContact NZ-OE2 3.54Å; K116-E127 PolarHBondContact NZ-OE2 2.72Å; K116-S129 WeakPolarHBondContact O-CB 3.29Å; K116-S129 PolarHBondContact O-N 2.85Å
117P84.3Confident83.4Confident71 Ų7182.7 Ų82.746%0.46143%0.434SS..PPolyproline II helixtrans-72.2163.3173.122.7-23.3000111.9N120P117-N120 VanDerWaalsContact CD-ND2 3.29Å; P117-N120 WeakPolarHBondContact CD-ND2 3.14Å; P117-N120 VanDerWaalsContact CG-ND2 3.27Å; P117-N120 WeakPolarHBondContact CG-ND2 3.43Å; P117-N120 WeakPolarHBondContact O-CB 3.49Å; P117-N120 PolarHBondContact O-N 3.15Å; P117-N120 PolarHBondContact O-ND2 3.19Å
118N86.8Confident83.4Confident84 Ų8475.4 Ų75.445%0.44940%0.396SS..THydrogen-bonded Turntrans-54.6145.7179.2-59.5-35.1000111.8N120 C144N118-N120 VanDerWaalsContact C-N 3.32Å; N118-N120 PolarHBondContact O-N 3.03Å; N118-C144 CarbonylContact C-O 3.47Å; N118-C144 WeakPolarHBondContact CA-O 3.46Å
119G85.7Confident83.3Confident38 Ų3871.9 Ų71.939%0.39239%0.39SS..THydrogen-bonded Turntrans89-19.2-177.100000114.9R143 C144G119-R143 PolarHBondContact O-NH1 3.33Å; G119-C144 PolarHBondContact N-O 2.71Å
120N87.1Confident83.3Confident73 Ų7366.5 Ų66.539%0.3936%0.364SS..SBendtrans-73.2148.5177.6-78.3-73.2000112.8K116 P117 N118 R143 C144K116-N120 HydrophobicContact CB-CB 4.06Å; K116-N120 HydrophobicContact CD-CB 4.29Å; P117-N120 VanDerWaalsContact CD-ND2 3.29Å; P117-N120 WeakPolarHBondContact CD-ND2 3.14Å; P117-N120 VanDerWaalsContact CG-ND2 3.27Å; P117-N120 WeakPolarHBondContact CG-ND2 3.43Å; P117-N120 WeakPolarHBondContact O-CB 3.49Å; P117-N120 PolarHBondContact O-N 3.15Å; P117-N120 PolarHBondContact O-ND2 3.19Å; N118-N120 VanDerWaalsContact C-N 3.32Å; N118-N120 PolarHBondContact O-N 3.03Å; N120-R143 CarbonylContact O-C 3.47Å; N120-R143 VanDerWaalsContact O-CA 3.24Å; N120-R143 WeakPolarHBondContact O-CA 3.03Å; N120-C144 PolarHBondContact O-N 2.71Å
121F89.3Confident83.3Confident114 Ų11463.8 Ų63.850%0.535%0.351SS..BIsolated β-bridgetrans-63.3139.1172.3-57.4-64.6000111.7K116 P141 F142 R143K116-F121 VanDerWaalsContact CD-O 3.31Å; K116-F121 WeakPolarHBondContact CD-O 3.27Å; K116-F121 PolarHBondContact NZ-O 3.18Å; F121-P141 HydrophobicContact CD1-CB 3.82Å; F121-P141 HydrophobicContact CD1-CG 3.91Å; F121-P141 HydrophobicContact CE1-CB 3.77Å; F121-P141 HydrophobicContact CE1-CG 3.35Å; F121-P141 HydrophobicContact CZ-CG 4.38Å; F121-F142 WeakPolarHBondContact CA-O 3.26Å; F121-R143 HydrophobicContact CD1-CG 4.1Å; F121-R143 HydrophobicContact CE1-CG 4.44Å; F121-R143 VanDerWaalsContact CZ-NH2 3.32Å
122C86.4Confident83.3Confident8 Ų861.4 Ų61.45%0.05434%0.335CS..  trans-141155.6-179.458.10000110.5C128 C133 F142 R143 C144C122-C128 WeakPolarHBondContact CB-SG 3.32Å; C122-C128 VanDerWaalsContact SG-SG 3.64Å; C122-C133 HydrophobicContact CB-CB 3.87Å; C122-C133 WeakPolarHBondContact CB-SG 3.46Å; C122-C133 PolarHBondContact O-SG 3.09Å; C122-C133 WeakPolarHBondContact SG-CA 3.47Å; C122-C133 WeakPolarHBondContact SG-CB 3.46Å; C122-C133 CovalentContact SG-SG 2.02Å; C122-C133 PolarHBondContact SG-SG 3.35Å; C122-F142 PolarHBondContact N-O 3.19Å; C122-F142 WeakPolarHBondContact O-CB 3.41Å; C122-R143 VanDerWaalsContact SG-CA 3.59Å; C122-C144 PolarHBondContact SG-N 2.9Å
123S87.3Confident83.7Confident114 Ų11460 Ų6080%0.79733%0.327SS*.SBendtrans-113.9-21.5171.5-54.20000111.8E127S123-E127 WeakPolarHBondContact CA-OE1 3.03Å; S123-E127 WeakPolarHBondContact CB-OE1 3.38Å; S123-E127 PolarHBondContact N-OE1 3.47Å
124S84.9Confident84.3Confident46 Ų4658.4 Ų58.432%0.32232%0.315SS..SBendtrans-134.9148178.5162.40000111.8Q126 E127S124-Q126 PolarHBondContact O-N 3Å; S124-Q126 PolarHBondContact OG-N 3.35Å; S124-E127 PolarHBondContact N-OE1 2.91Å; S124-E127 WeakPolarHBondContact O-CB 3.44Å; S124-E127 PolarHBondContact O-N 3.49Å; S124-E127 VanDerWaalsContact O-N 3.14Å
125H84.6Confident84.8Confident92 Ų9256.3 Ų56.343%0.42631%0.31SS..G310 helixtrans-52.2-39172.3-71.7-83000112.5E127 C128 Q131 C133H125-E127 PolarHBondContact O-N 2.95Å; H125-E127 VanDerWaalsContact O-N 3.17Å; H125-C128 PolarHBondContact O-N 2.94Å; H125-C128 VanDerWaalsContact O-N 3.08Å; H125-Q131 PolarHBondContact ND1-O 3.48Å; H125-Q131 CarbonylContact O-C 3.53Å; H125-Q131 VanDerWaalsContact O-CA 3.24Å; H125-Q131 WeakPolarHBondContact O-CA 3.34Å; H125-C133 PolarHBondContact CE1-O 3.28Å; H125-C133 PolarHBondContact ND1-N 3.36Å; H125-C133 VanDerWaalsContact ND1-N 3.18Å
126Q80.2Confident84.7Confident155 Ų15558.3 Ų58.372%0.72433%0.325SS*.G310 helixtrans-67.3-18.7-175.5-60.817818.100113.2R115 S124 C128R115-Q126 VanDerWaalsContact CD-O 3.25Å; R115-Q126 WeakPolarHBondContact CD-O 3.3Å; R115-Q126 PolarHBondContact NE-O 3.17Å; S124-Q126 PolarHBondContact O-N 3Å; S124-Q126 PolarHBondContact OG-N 3.35Å; Q126-C128 VanDerWaalsContact C-N 3.28Å
127E81.4Confident84.6Confident30 Ų3067.3 Ų67.314%0.1436%0.359CS..G310 helixtrans-74.4-19.6176.1-64.3176.8-126.300112.8R115 K116 S123 S124 H125R115-E127 CarbonylContact C-O 3.55Å; R115-E127 WeakPolarHBondContact CA-O 3.41Å; K116-E127 WeakPolarHBondContact CB-O 3.31Å; K116-E127 HydrophobicContact CD-CB 4.34Å; K116-E127 WeakPolarHBondContact CE-OE2 3.32Å; K116-E127 PolarHBondContact N-O 3.35Å; K116-E127 IonicContact NZ-OE2 3.54Å; K116-E127 PolarHBondContact NZ-OE2 2.72Å; S123-E127 WeakPolarHBondContact CA-OE1 3.03Å; S123-E127 WeakPolarHBondContact CB-OE1 3.38Å; S123-E127 PolarHBondContact N-OE1 3.47Å; S124-E127 PolarHBondContact N-OE1 2.91Å; S124-E127 WeakPolarHBondContact O-CB 3.44Å; S124-E127 PolarHBondContact O-N 3.49Å; S124-E127 VanDerWaalsContact O-N 3.14Å; H125-E127 PolarHBondContact O-N 2.95Å; H125-E127 VanDerWaalsContact O-N 3.17Å
128C83.6Confident84.3Confident0 Ų073.1 Ų73.10%038%0.38CS..BIsolated β-bridgetrans-97.8139.1-173-63.10000111.8R115 C122 H125 Q126 S130 Q131 C132 C144R115-C128 VanDerWaalsContact CB-C 3.5Å; R115-C128 WeakPolarHBondContact CD-O 3.39Å; C122-C128 WeakPolarHBondContact CB-SG 3.32Å; C122-C128 VanDerWaalsContact SG-SG 3.64Å; H125-C128 PolarHBondContact O-N 2.94Å; H125-C128 VanDerWaalsContact O-N 3.08Å; Q126-C128 VanDerWaalsContact C-N 3.28Å; C128-S130 PolarHBondContact O-N 3.41Å; C128-Q131 WeakPolarHBondContact O-CA 3.44Å; C128-Q131 PolarHBondContact O-N 3.13Å; C128-C132 PolarHBondContact SG-O 2.72Å; C128-C132 VanDerWaalsContact SG-O 3.36Å; C128-C144 WeakPolarHBondContact CA-SG 3.02Å; C128-C144 HydrophobicContact CB-CB 3.61Å; C128-C144 WeakPolarHBondContact CB-SG 2.94Å; C128-C144 WeakPolarHBondContact SG-CA 3.44Å; C128-C144 WeakPolarHBondContact SG-CB 3.48Å; C128-C144 CovalentContact SG-SG 2.04Å; C128-C144 PolarHBondContact SG-SG 2.76Å
129S83.4Confident84.1Confident78 Ų7876.8 Ų76.855%0.54540%0.399SS..THydrogen-bonded Turntrans-58.4-39.2176.9174.90000111.6K116 Q131K116-S129 WeakPolarHBondContact O-CB 3.29Å; K116-S129 PolarHBondContact O-N 2.85Å; S129-Q131 PolarHBondContact O-N 2.83Å
130S82.6Confident83.9Confident18 Ų1876.3 Ų76.313%0.12639%0.39CS..THydrogen-bonded Turntrans-70.7-5.6171.459.50000114.5C128 C132 T145 R147C128-S130 PolarHBondContact O-N 3.41Å; S130-C132 PolarHBondContact O-N 2.74Å; S130-C132 VanDerWaalsContact O-N 3.14Å; S130-C132 PolarHBondContact OG-N 3.06Å; S130-C132 PolarHBondContact OG-O 2.03Å; S130-T145 WeakPolarHBondContact CB-O 3.29Å; S130-T145 PolarHBondContact OG-O 3.26Å; S130-R147 WeakPolarHBondContact O-CD 3.45Å; S130-R147 VanDerWaalsContact O-CG 3.29Å; S130-R147 WeakPolarHBondContact O-CG 3.21Å; S130-R147 PolarHBondContact O-NE 2.76Å
131Q84.8Confident83.9Confident72 Ų7276 Ų7634%0.33639%0.392SS..SBendtrans50.731.4-168.1-67.1-178.7-15.600113.2H125 C128 S129 R147H125-Q131 PolarHBondContact ND1-O 3.48Å; H125-Q131 CarbonylContact O-C 3.53Å; H125-Q131 VanDerWaalsContact O-CA 3.24Å; H125-Q131 WeakPolarHBondContact O-CA 3.34Å; C128-Q131 WeakPolarHBondContact O-CA 3.44Å; C128-Q131 PolarHBondContact O-N 3.13Å; S129-Q131 PolarHBondContact O-N 2.83Å; Q131-R147 PolarHBondContact O-NH2 2.85Å; Q131-R147 VanDerWaalsContact OE1-NH2 3.17Å
132C86.6Confident83.9Confident1 Ų175.6 Ų75.61%0.00739%0.39CS..  trans-132.2112.3-177.6-174.20000109.6C128 S130 C144 T145 R147 C154C128-C132 PolarHBondContact SG-O 2.72Å; C128-C132 VanDerWaalsContact SG-O 3.36Å; S130-C132 PolarHBondContact O-N 2.74Å; S130-C132 VanDerWaalsContact O-N 3.14Å; S130-C132 PolarHBondContact OG-N 3.06Å; S130-C132 PolarHBondContact OG-O 2.03Å; C132-C144 VanDerWaalsContact O-CA 3.28Å; C132-C144 WeakPolarHBondContact O-CA 3.31Å; C132-T145 WeakPolarHBondContact CB-O 3.29Å; C132-T145 PolarHBondContact O-N 3.08Å; C132-T145 VanDerWaalsContact O-N 3.08Å; C132-T145 PolarHBondContact SG-OG1 2.79Å; C132-R147 HydrophobicContact CB-CG 4.23Å; C132-C154 WeakPolarHBondContact CA-SG 3.39Å; C132-C154 HydrophobicContact CB-CB 3.62Å; C132-C154 WeakPolarHBondContact CB-SG 3.11Å; C132-C154 WeakPolarHBondContact SG-CB 3.49Å; C132-C154 CovalentContact SG-SG 2.02Å; C132-C154 PolarHBondContact SG-SG 2.99Å
133C88.1Confident84.1Confident7 Ų779.5 Ų79.55%0.04740%0.404CS..EExtended strand (participates in β ladder)trans-121108.8177-178.80000107.8C122 H125C122-C133 HydrophobicContact CB-CB 3.87Å; C122-C133 WeakPolarHBondContact CB-SG 3.46Å; C122-C133 PolarHBondContact O-SG 3.09Å; C122-C133 WeakPolarHBondContact SG-CA 3.47Å; C122-C133 WeakPolarHBondContact SG-CB 3.46Å; C122-C133 CovalentContact SG-SG 2.02Å; C122-C133 PolarHBondContact SG-SG 3.35Å; H125-C133 PolarHBondContact CE1-O 3.28Å; H125-C133 PolarHBondContact ND1-N 3.36Å; H125-C133 VanDerWaalsContact ND1-N 3.18Å
134I87.4Confident84.2Confident22 Ų2274.1 Ų74.111%0.11337%0.367CS..EExtended strand (participates in β ladder)trans-139.1162.1-174.462.9175.3000111.4L136 F142 R143 T145 Q153I134-L136 HydrophobicContact CD1-CD2 4.3Å; I134-F142 WeakPolarHBondContact O-CA 3.17Å; I134-R143 PolarHBondContact N-O 2.67Å; I134-R143 VanDerWaalsContact N-O 3.08Å; I134-R143 PolarHBondContact O-N 2.83Å; I134-T145 HydrophobicContact CD1-CG2 3.86Å; I134-T145 WeakPolarHBondContact CD1-OG1 3.44Å; I134-T145 HydrophobicContact CG1-CG2 3.54Å; I134-T145 WeakPolarHBondContact CG1-OG1 3.47Å; I134-Q153 HydrophobicContact CD1-CB 3.64Å; I134-Q153 HydrophobicContact CD1-CG 4.35Å
135Q86.6Confident84.3Confident79 Ų7972.8 Ų72.837%0.36936%0.356SS..  trans-97.2125.1173.4-166.2-177.327.600108.9R137 E138 S140 F142Q135-R137 VanDerWaalsContact CD-O 3.24Å; Q135-R137 WeakPolarHBondContact CG-O 3.01Å; Q135-R137 PolarHBondContact NE2-O 3.37Å; Q135-E138 VanDerWaalsContact NE2-C 3.35Å; Q135-E138 PolarHBondContact NE2-O 2.95Å; Q135-S140 WeakPolarHBondContact CG-O 3.47Å; Q135-S140 WeakPolarHBondContact CG-OG 3.5Å; Q135-S140 PolarHBondContact NE2-O 2.73Å; Q135-F142 HydrophobicContact CB-CD1 4.1Å; Q135-F142 HydrophobicContact CB-CE1 3.94Å; Q135-F142 HydrophobicContact CB-CZ 4.21Å
136L76.2Confident84.2Confident109 Ų10971.4 Ų71.457%0.57136%0.356SS*.SBendtrans-85.2-21.8-176.4-69.2172.6000113.2I134 S140 T145I134-L136 HydrophobicContact CD1-CD2 4.3Å; L136-S140 PolarHBondContact N-OG 3.43Å; L136-T145 HydrophobicContact CD2-CG2 4.21Å
137R79.1Confident84.1Confident202 Ų20269 Ų6976%0.76234%0.34SS*.SBendtrans-147.5149.1178.1-59.8-174.1178.6-156.1-1.7109.2Q135 D139 S140Q135-R137 VanDerWaalsContact CD-O 3.24Å; Q135-R137 WeakPolarHBondContact CG-O 3.01Å; Q135-R137 PolarHBondContact NE2-O 3.37Å; R137-D139 PolarHBondContact O-N 2.02Å; R137-S140 PolarHBondContact N-OG 3.37Å; R137-S140 WeakPolarHBondContact O-CB 3.5Å; R137-S140 PolarHBondContact O-N 3.35Å; R137-S140 PolarHBondContact O-OG 2.6Å
138E77.9Confident83.5Confident194 Ų19473 Ų7391%0.90737%0.367SS*.THydrogen-bonded Turntrans-50.9-28.9-176-74.6175.2154.400115.1Q135Q135-E138 VanDerWaalsContact NE2-C 3.35Å; Q135-E138 PolarHBondContact NE2-O 2.95Å
139D81.8Confident82.3Confident160 Ų16075.9 Ų75.986%0.85640%0.396SS*.THydrogen-bonded Turntrans-109.512.7179-163.529.7000114R137R137-D139 PolarHBondContact O-N 2.02Å
140S82.1Confident81Confident28 Ų2880.7 Ų80.720%0.19641%0.414CS..SBendtrans-91.9149.8177.865.80000111.6Q135 L136 R137Q135-S140 WeakPolarHBondContact CG-O 3.47Å; Q135-S140 WeakPolarHBondContact CG-OG 3.5Å; Q135-S140 PolarHBondContact NE2-O 2.73Å; L136-S140 PolarHBondContact N-OG 3.43Å; R137-S140 PolarHBondContact N-OG 3.37Å; R137-S140 WeakPolarHBondContact O-CB 3.5Å; R137-S140 PolarHBondContact O-N 3.35Å; R137-S140 PolarHBondContact O-OG 2.6Å
141P88.4Confident79.7Confident68 Ų6887.1 Ų87.144%0.44245%0.446SS..PPolyproline II helixtrans-70150169.227.8-36000111.7F121F121-P141 HydrophobicContact CD1-CB 3.82Å; F121-P141 HydrophobicContact CD1-CG 3.91Å; F121-P141 HydrophobicContact CE1-CB 3.77Å; F121-P141 HydrophobicContact CE1-CG 3.35Å; F121-P141 HydrophobicContact CZ-CG 4.38Å
142F88.9Confident78.5Confident105 Ų10586.2 Ų86.246%0.46145%0.451SS..PPolyproline II helixtrans-60.2134174.7-73.7-92.1000111.9F121 C122 I134 Q135F121-F142 WeakPolarHBondContact CA-O 3.26Å; C122-F142 PolarHBondContact N-O 3.19Å; C122-F142 WeakPolarHBondContact O-CB 3.41Å; I134-F142 WeakPolarHBondContact O-CA 3.17Å; Q135-F142 HydrophobicContact CB-CD1 4.1Å; Q135-F142 HydrophobicContact CB-CE1 3.94Å; Q135-F142 HydrophobicContact CB-CZ 4.21Å
143R89.8Confident77.5Confident89 Ų8992.6 Ų92.634%0.33648%0.481SS..EExtended strand (participates in β ladder)trans-135.5152.4-179.5-67.6176.6-175.7-91.86.1111.9G119 N120 F121 C122 I134 T145G119-R143 PolarHBondContact O-NH1 3.33Å; N120-R143 CarbonylContact O-C 3.47Å; N120-R143 VanDerWaalsContact O-CA 3.24Å; N120-R143 WeakPolarHBondContact O-CA 3.03Å; F121-R143 HydrophobicContact CD1-CG 4.1Å; F121-R143 HydrophobicContact CE1-CG 4.44Å; F121-R143 VanDerWaalsContact CZ-NH2 3.32Å; C122-R143 VanDerWaalsContact SG-CA 3.59Å; I134-R143 PolarHBondContact N-O 2.67Å; I134-R143 VanDerWaalsContact N-O 3.08Å; I134-R143 PolarHBondContact O-N 2.83Å; R143-T145 PolarHBondContact O-N 2.81Å
144C88.6Confident76.8Confident2 Ų292.9 Ų92.91%0.01448%0.483CS..EExtended strand (participates in β ladder)trans-68124.6171-63.70000109.8N118 G119 N120 C122 C128 C132N118-C144 CarbonylContact C-O 3.47Å; N118-C144 WeakPolarHBondContact CA-O 3.46Å; G119-C144 PolarHBondContact N-O 2.71Å; N120-C144 PolarHBondContact O-N 2.71Å; C122-C144 PolarHBondContact SG-N 2.9Å; C128-C144 WeakPolarHBondContact CA-SG 3.02Å; C128-C144 HydrophobicContact CB-CB 3.61Å; C128-C144 WeakPolarHBondContact CB-SG 2.94Å; C128-C144 WeakPolarHBondContact SG-CA 3.44Å; C128-C144 WeakPolarHBondContact SG-CB 3.48Å; C128-C144 CovalentContact SG-SG 2.04Å; C128-C144 PolarHBondContact SG-SG 2.76Å; C132-C144 VanDerWaalsContact O-CA 3.28Å; C132-C144 WeakPolarHBondContact O-CA 3.31Å
145T87.3Confident75.5Confident17 Ų1798.5 Ų98.510%0.10451%0.512CS..  trans-122.9149.4179.861.70000110.6S130 C132 I134 L136 R143S130-T145 WeakPolarHBondContact CB-O 3.29Å; S130-T145 PolarHBondContact OG-O 3.26Å; C132-T145 WeakPolarHBondContact CB-O 3.29Å; C132-T145 PolarHBondContact O-N 3.08Å; C132-T145 VanDerWaalsContact O-N 3.08Å; C132-T145 PolarHBondContact SG-OG1 2.79Å; I134-T145 HydrophobicContact CD1-CG2 3.86Å; I134-T145 WeakPolarHBondContact CD1-OG1 3.44Å; I134-T145 HydrophobicContact CG1-CG2 3.54Å; I134-T145 WeakPolarHBondContact CG1-OG1 3.47Å; L136-T145 HydrophobicContact CD2-CG2 4.21Å; R143-T145 PolarHBondContact O-N 2.81Å
146P83.8Confident74.1Confident64 Ų6499.3 Ų99.342%0.41652%0.524SS..  trans-67.7146177.828.6-34.4000111.4T148P146-T148 PolarHBondContact O-N 3.17Å
147R78.2Confident73.1Confident104 Ų104105.7 Ų105.739%0.39256%0.558SS.*SBendtrans-79.949.3169.7-74.1-177.9172.7163.41111.4S130 Q131 C132 C154S130-R147 WeakPolarHBondContact O-CD 3.45Å; S130-R147 VanDerWaalsContact O-CG 3.29Å; S130-R147 WeakPolarHBondContact O-CG 3.21Å; S130-R147 PolarHBondContact O-NE 2.76Å; Q131-R147 PolarHBondContact O-NH2 2.85Å; Q131-R147 VanDerWaalsContact OE1-NH2 3.17Å; C132-R147 HydrophobicContact CB-CG 4.23Å; R147-C154 HydrophobicContact CG-CB 4.29Å
148T69Low72.8Confident114 Ų114100.9 Ų100.970%0.69955%0.548SS*.  trans-131.3130.7-177.357.90000111.1P146P146-T148 PolarHBondContact O-N 3.17Å
149G58.4Low72.5Confident60 Ų6096 Ų9662%0.61953%0.529SS*.SBendtrans138164.1175.700000113.6L151G149-L151 PolarHBondContact O-N 2.76Å
150I55.9Low72Confident180 Ų18092.4 Ų92.492%0.92351%0.511SS*.SBendtrans-69.6-23.4179.2-62.2166.7000111.5
151L54.8Low71.4Confident152 Ų15296.2 Ų96.280%0.79653%0.529SS*.SBendtrans-109.573.2174.1-66.4167.1000109G149 Q153G149-L151 PolarHBondContact O-N 2.76Å; L151-Q153 PolarHBondContact O-N 3.05Å
152A58.8Low70.3Confident54 Ų5498 Ų9845%0.44654%0.535SS..  trans-65.198.7177.400000110.2C154A152-C154 PolarHBondContact O-N 3.15Å
153Q65.8Low69.1Low134 Ų13497.5 Ų97.563%0.62654%0.54SS*.SBendtrans-71.6-10.6175.7-72.2164.2-7.800112.7I134 L151I134-Q153 HydrophobicContact CD1-CB 3.64Å; I134-Q153 HydrophobicContact CD1-CG 4.35Å; L151-Q153 PolarHBondContact O-N 3.05Å
154C73.9Confident67.6Low13 Ų1398.1 Ų98.19%0.08855%0.554CS.*SBendtrans-126.7108.5168.6-760000109.1C132 R147 A152C132-C154 WeakPolarHBondContact CA-SG 3.39Å; C132-C154 HydrophobicContact CB-CB 3.62Å; C132-C154 WeakPolarHBondContact CB-SG 3.11Å; C132-C154 WeakPolarHBondContact SG-CB 3.49Å; C132-C154 CovalentContact SG-SG 2.02Å; C132-C154 PolarHBondContact SG-SG 2.99Å; R147-C154 HydrophobicContact CG-CB 4.29Å; A152-C154 PolarHBondContact O-N 3.15Å
155L59.9Low66Low140 Ų140105.5 Ų105.573%0.73360%0.596SS**  trans-73.6139.1169.2-75.8152.3000109.3L157L155-L157 PolarHBondContact O-N 3.26Å
156P57Low64.2Low96 Ų96112.9 Ų112.962%0.62364%0.637SS**  trans-65119.616327.2-28.7000107.9
157L55.3Low62.4Low244 Ų244117.4 Ų117.4100%1.27766%0.657SS**  trans-740163.8-74.7167.6000109.4L155L155-L157 PolarHBondContact O-N 3.26Å

Retrieved 157 of 157 residues in 29.6 ms (Link to these results)