A0A087WZ94_HUMAN Loading...

Leucine rich colipase like 1

AlphaFold DB , UniProt , Accession A0A087WZ94, Species HUMAN (Homo sapiens, Human), Gene LRCOL1, Length 139 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
1M63.7Low84.1Confident247 Ų247113 Ų113100%1.21764%0.64SS**  0104.50-63.6164.289.500106.7G3M1-G3 PolarHBondContact O-N 3.04Å
2A68.1Low84.7Confident86 Ų86113.4 Ų113.471%0.71164%0.638SS**  trans-69.8117.8178.100000108.1W6A2-W6 HydrophobicContact CB-CB 4.48Å
3G83.3Confident85.2Confident32 Ų32112.2 Ų112.233%0.3363%0.629SS.*  trans-66.3164.2-178.100000112.6M1 G5 W6M1-G3 PolarHBondContact O-N 3.04Å; G3-G5 PolarHBondContact O-N 3.45Å; G3-W6 PolarHBondContact O-N 3.29Å
4P83.4Confident85.6Confident103 Ų103111.4 Ų111.467%0.66962%0.621SS**Hα-helixtrans-61.4-14.8-178.425.3-34.6000114.1W6 T7 L8P4-W6 VanDerWaalsContact C-N 3.34Å; P4-T7 PolarHBondContact O-OG1 2.87Å; P4-L8 PolarHBondContact O-N 3.01Å
5G88.9Confident85.8Confident48 Ų48111.3 Ų111.350%0.49562%0.619SS.*Hα-helixtrans-66.9-33.4172.300000113.4G3 L9G3-G5 PolarHBondContact O-N 3.45Å; G5-L9 WeakPolarHBondContact O-CB 3.41Å; G5-L9 PolarHBondContact O-N 3Å
6W86.3Confident85.8Confident184 Ų184112.1 Ų112.170%0.69762%0.62SS**Hα-helixtrans-74-35.5179.9-75.682.9000112.1A2 G3 P4 L9 L10A2-W6 HydrophobicContact CB-CB 4.48Å; G3-W6 PolarHBondContact O-N 3.29Å; P4-W6 VanDerWaalsContact C-N 3.34Å; W6-L9 PolarHBondContact O-N 3.29Å; W6-L10 WeakPolarHBondContact O-CB 3.41Å; W6-L10 PolarHBondContact O-N 3.42Å
7T88.4Confident85.7Confident90 Ų90111.7 Ų111.755%0.55262%0.616SS**Hα-helixtrans-68.3-39.9176.152.10000111.3P4 L11P4-T7 PolarHBondContact O-OG1 2.87Å; T7-L11 WeakPolarHBondContact O-CB 3.42Å; T7-L11 PolarHBondContact O-N 2.99Å
8L89.6Confident85.4Confident121 Ų121111.9 Ų111.963%0.63462%0.615SS**Hα-helixtrans-63.9-42.7173.3-78.7165.7000112.4P4 L11 L12P4-L8 PolarHBondContact O-N 3.01Å; L8-L11 PolarHBondContact O-N 3.27Å; L8-L12 WeakPolarHBondContact O-CB 3.32Å; L8-L12 PolarHBondContact O-N 3.41Å
9L91.3Very high85Confident107 Ų107108.3 Ų108.356%0.5661%0.607SS**Hα-helixtrans-64.5-43.6177.4-173.868.2000111.9G5 W6 L11 L12 L13G5-L9 WeakPolarHBondContact O-CB 3.41Å; G5-L9 PolarHBondContact O-N 3Å; W6-L9 PolarHBondContact O-N 3.29Å; L9-L11 VanDerWaalsContact C-N 3.35Å; L9-L12 PolarHBondContact O-N 2.98Å; L9-L13 WeakPolarHBondContact O-CB 3.45Å; L9-L13 PolarHBondContact O-N 2.99Å
10L91.4Very high84.2Confident127 Ų127105.7 Ų105.767%0.66560%0.596SS**Hα-helixtrans-63.4-41.6177.2-164.784.1000111.4W6 L13 L14W6-L10 WeakPolarHBondContact O-CB 3.41Å; W6-L10 PolarHBondContact O-N 3.42Å; L10-L13 PolarHBondContact O-N 2.94Å; L10-L14 WeakPolarHBondContact O-CB 3.32Å; L10-L14 PolarHBondContact O-N 3.11Å
11L90.8Very high83.1Confident98 Ų98108.4 Ų108.451%0.51361%0.606SS.*Hα-helixtrans-65.1-44177.8-172.566.4000111.5T7 L8 L9 L13 L14 L15T7-L11 WeakPolarHBondContact O-CB 3.42Å; T7-L11 PolarHBondContact O-N 2.99Å; L8-L11 PolarHBondContact O-N 3.27Å; L9-L11 VanDerWaalsContact C-N 3.35Å; L11-L13 VanDerWaalsContact C-N 3.34Å; L11-L13 PolarHBondContact O-N 3.49Å; L11-L14 PolarHBondContact O-N 2.96Å; L11-L15 HydrophobicContact CG-CD1 4.16Å; L11-L15 WeakPolarHBondContact O-CD1 3.47Å; L11-L15 PolarHBondContact O-N 3.42Å
12L91.3Very high82.9Confident118 Ų118100.8 Ų100.862%0.61858%0.582SS**Hα-helixtrans-62.2-41.8176.8-175.366.4000111.8L8 L9 L15 L16L8-L12 WeakPolarHBondContact O-CB 3.32Å; L8-L12 PolarHBondContact O-N 3.41Å; L9-L12 PolarHBondContact O-N 2.98Å; L12-L15 PolarHBondContact O-N 3.43Å; L12-L16 PolarHBondContact O-N 2.99Å; L12-L16 VanDerWaalsContact O-N 3.11Å
13L91.4Very high82.4Confident98 Ų9899.6 Ų99.651%0.51358%0.578SS.*Hα-helixtrans-61.7-45.9175.3-174.662.9000110.8L9 L10 L11 L15 L16 L17L9-L13 WeakPolarHBondContact O-CB 3.45Å; L9-L13 PolarHBondContact O-N 2.99Å; L10-L13 PolarHBondContact O-N 2.94Å; L11-L13 VanDerWaalsContact C-N 3.34Å; L11-L13 PolarHBondContact O-N 3.49Å; L13-L15 PolarHBondContact O-N 3.18Å; L13-L16 PolarHBondContact O-N 3.39Å; L13-L16 VanDerWaalsContact O-N 3.14Å; L13-L17 HydrophobicContact CD1-CD1 3.92Å; L13-L17 HydrophobicContact CG-CD1 3.71Å; L13-L17 WeakPolarHBondContact O-CD1 3.11Å; L13-L17 PolarHBondContact O-N 3.05Å
14L90.7Very high81.4Confident100 Ų100107.3 Ų107.352%0.52460%0.599SS.*Hα-helixtrans-59.4-44.6177.8-173.663.5000112.2L10 L11 L16 L17 L18L10-L14 WeakPolarHBondContact O-CB 3.32Å; L10-L14 PolarHBondContact O-N 3.11Å; L11-L14 PolarHBondContact O-N 2.96Å; L14-L16 VanDerWaalsContact C-N 3.3Å; L14-L16 PolarHBondContact O-N 3.47Å; L14-L17 PolarHBondContact O-N 3.16Å; L14-L18 HydrophobicContact CD1-CD1 3.7Å; L14-L18 HydrophobicContact CG-CD1 3.94Å; L14-L18 WeakPolarHBondContact O-CD1 3.15Å; L14-L18 PolarHBondContact O-N 2.87Å
15L88.7Confident80.1Confident111 Ų111105 Ų10558%0.58159%0.594SS**Hα-helixtrans-58.1-40.1174.7-84.9146.2000112.5L11 L12 L13 L18 G19L11-L15 HydrophobicContact CG-CD1 4.16Å; L11-L15 WeakPolarHBondContact O-CD1 3.47Å; L11-L15 PolarHBondContact O-N 3.42Å; L12-L15 PolarHBondContact O-N 3.43Å; L13-L15 PolarHBondContact O-N 3.18Å; L15-L18 PolarHBondContact O-N 3.44Å; L15-G19 PolarHBondContact O-N 3.14Å
16L85.9Confident78.7Confident124 Ų124107.8 Ų107.865%0.64960%0.603SS**Hα-helixtrans-70-38179.3-157.972.8000112.2L12 L13 L14 S20L12-L16 PolarHBondContact O-N 2.99Å; L12-L16 VanDerWaalsContact O-N 3.11Å; L13-L16 PolarHBondContact O-N 3.39Å; L13-L16 VanDerWaalsContact O-N 3.14Å; L14-L16 VanDerWaalsContact C-N 3.3Å; L14-L16 PolarHBondContact O-N 3.47Å; L16-S20 PolarHBondContact O-N 2.84Å; L16-S20 PolarHBondContact O-OG 3.03Å
17L83.7Confident77.3Confident105 Ų105107.8 Ų107.855%0.5561%0.611SS.*Hα-helixtrans-64.7-42.9172.7-86.2109.8000111.8L13 L14L13-L17 HydrophobicContact CD1-CD1 3.92Å; L13-L17 HydrophobicContact CG-CD1 3.71Å; L13-L17 WeakPolarHBondContact O-CD1 3.11Å; L13-L17 PolarHBondContact O-N 3.05Å; L14-L17 PolarHBondContact O-N 3.16Å
18L80.5Confident75.4Confident115 Ų115112 Ų11260%0.60262%0.621SS**Hα-helixtrans-67.8-40.2176.6-90.574.2000112.1L14 L15 S20 M21L14-L18 HydrophobicContact CD1-CD1 3.7Å; L14-L18 HydrophobicContact CG-CD1 3.94Å; L14-L18 WeakPolarHBondContact O-CD1 3.15Å; L14-L18 PolarHBondContact O-N 2.87Å; L15-L18 PolarHBondContact O-N 3.44Å; L18-S20 VanDerWaalsContact C-N 3.33Å; L18-S20 PolarHBondContact O-N 3.02Å; L18-M21 PolarHBondContact O-N 2.95Å
19G77.3Confident73.7Confident44 Ų44113.5 Ų113.545%0.45462%0.623SS.*Hα-helixtrans-66.9-32178.300000113.4L15 M21 A22 G23L15-G19 PolarHBondContact O-N 3.14Å; G19-M21 VanDerWaalsContact C-N 3.28Å; G19-M21 PolarHBondContact O-N 3.39Å; G19-A22 PolarHBondContact O-N 3.43Å; G19-G23 PolarHBondContact O-N 3.28Å; G19-G23 VanDerWaalsContact O-N 3.16Å
20S69.3Low72Confident55 Ų55116 Ų11639%0.38564%0.636SS.*Hα-helixtrans-61.7-37.5175.2-63.70000111.6L16 L18 A22 G23 Y24L16-S20 PolarHBondContact O-N 2.84Å; L16-S20 PolarHBondContact O-OG 3.03Å; L18-S20 VanDerWaalsContact C-N 3.33Å; L18-S20 PolarHBondContact O-N 3.02Å; S20-A22 VanDerWaalsContact C-N 3.3Å; S20-A22 PolarHBondContact O-N 3.49Å; S20-G23 PolarHBondContact O-N 2.84Å; S20-Y24 WeakPolarHBondContact O-CD2 3.47Å; S20-Y24 WeakPolarHBondContact O-CE2 3.49Å
21M60.7Low70.2Confident163 Ų163114.9 Ų114.980%0.80363%0.631SS**Hα-helixtrans-74.6-18.8179-59.7-60.2-76.700113.5L18 G19L18-M21 PolarHBondContact O-N 2.95Å; G19-M21 VanDerWaalsContact C-N 3.28Å; G19-M21 PolarHBondContact O-N 3.39Å
22A60.2Low68.6Low88 Ų88115.6 Ų115.673%0.72764%0.635SS**Hα-helixtrans-91.8-17.117700000113.5G19 S20G19-A22 PolarHBondContact O-N 3.43Å; S20-A22 VanDerWaalsContact C-N 3.3Å; S20-A22 PolarHBondContact O-N 3.49Å
23G58.1Low67.1Low61 Ų61110.9 Ų110.963%0.62961%0.611SS**Hα-helixtrans-92.1-19.3-177.500000115.5G19 S20 G25G19-G23 PolarHBondContact O-N 3.28Å; G19-G23 VanDerWaalsContact O-N 3.16Å; S20-G23 PolarHBondContact O-N 2.84Å; G23-G25 VanDerWaalsContact C-N 3.26Å; G23-G25 PolarHBondContact O-N 3.03Å; G23-G25 VanDerWaalsContact O-N 3.14Å
24Y62.4Low66Low194 Ų194113.2 Ų113.276%0.76162%0.619SS**  trans-89.262.7174.4-63.1-71.6000110.9S20S20-Y24 WeakPolarHBondContact O-CD2 3.47Å; S20-Y24 WeakPolarHBondContact O-CE2 3.49Å
25G54.9Low65.3Low54 Ų54111.6 Ų111.656%0.55761%0.608SS**  trans-60.2133.8161.600000109G23 Q27G23-G25 VanDerWaalsContact C-N 3.26Å; G23-G25 PolarHBondContact O-N 3.03Å; G23-G25 VanDerWaalsContact O-N 3.14Å; G25-Q27 PolarHBondContact O-N 3.43Å; G25-Q27 VanDerWaalsContact O-N 3.09Å
26P59.1Low64.6Low106 Ų106108 Ų10869%0.68860%0.598SS**  trans-61.1120.6172.924.7-30.8000107.5K28P26-K28 PolarHBondContact O-N 3.17Å
27Q56.8Low64.2Low185 Ų185107.1 Ų107.186%0.86459%0.592SS**  trans-5791.3164.1-76.7-79-0.300106.9G25 K29G25-Q27 PolarHBondContact O-N 3.43Å; G25-Q27 VanDerWaalsContact O-N 3.09Å; Q27-K29 PolarHBondContact O-N 3.45Å
28K48.8Very low63.8Low177 Ų177104.4 Ų104.477%0.7759%0.59SS**  trans-71.569.7169-71-179.8-178170.40107.3P26 L30P26-K28 PolarHBondContact O-N 3.17Å; K28-L30 PolarHBondContact O-N 3.14Å
29K53.9Low63.7Low153 Ų153103.2 Ų103.267%0.66558%0.581SS**  trans-68.784.2153.7-149.1-168.6-171.5-163.10104.4Q27 N31Q27-K29 PolarHBondContact O-N 3.45Å; K29-N31 WeakPolarHBondContact O-CA 3Å; K29-N31 PolarHBondContact O-N 3.3Å
30L55.8Low63.9Low159 Ų159104.2 Ų104.283%0.83258%0.58SS**  trans-49.1110.3174.9-82.1159000106.8K28 L32K28-L30 PolarHBondContact O-N 3.14Å; L30-L32 VanDerWaalsContact C-N 3.26Å; L30-L32 PolarHBondContact O-N 3.41Å
31N54.5Low64.4Low104 Ų104101.7 Ų101.756%0.55656%0.562SS**  trans-82.773.7-155.5-149.4-55000108.1K29 S33K29-N31 WeakPolarHBondContact O-CA 3Å; K29-N31 PolarHBondContact O-N 3.3Å; N31-S33 PolarHBondContact O-N 3.32Å; N31-S33 PolarHBondContact OD1-O 2.04Å
32L56.8Low65.4Low114 Ų114104.7 Ų104.760%0.59757%0.565SS**  trans-66.9-10.3166.1-144.575.3000111.2L30 H34 E45 E46L30-L32 VanDerWaalsContact C-N 3.26Å; L30-L32 PolarHBondContact O-N 3.41Å; L32-H34 VanDerWaalsContact C-N 3.29Å; L32-H34 PolarHBondContact O-N 2.64Å; L32-E45 CarbonylContact C-O 3.47Å; L32-E45 HydrophobicContact CD2-CG 4.33Å; L32-E46 HydrophobicContact CD2-CG 4.44Å; L32-E46 CarbonylContact O-C 3.52Å; L32-E46 VanDerWaalsContact O-CA 3.27Å; L32-E46 WeakPolarHBondContact O-CA 3.42Å; L32-E46 VanDerWaalsContact O-O 3.13Å
33S60Low65.9Low18 Ų18107.6 Ų107.613%0.12656%0.557CS.*  trans-8947.3-174.7-151.70000111.3N31 E45 E46 C47 Q48N31-S33 PolarHBondContact O-N 3.32Å; N31-S33 PolarHBondContact OD1-O 2.04Å; S33-E45 WeakPolarHBondContact CA-O 3.14Å; S33-E45 PolarHBondContact N-O 3.5Å; S33-E46 WeakPolarHBondContact CA-O 3.21Å; S33-C47 VanDerWaalsContact OG-C 3.26Å; S33-C47 PolarHBondContact OG-O 3.29Å; S33-Q48 WeakPolarHBondContact O-CG 3.03Å; S33-Q48 WeakPolarHBondContact OG-CA 3.1Å; S33-Q48 PolarHBondContact OG-N 3.21Å
34H67.8Low67Low148 Ų148109.4 Ų109.469%0.68555%0.549SS*.  trans-104.40.4-178.1-134.7-91.7000113.6L32L32-H34 VanDerWaalsContact C-N 3.29Å; L32-H34 PolarHBondContact O-N 2.64Å
35K75.4Confident67.8Low66 Ų66104.5 Ų104.529%0.28753%0.533SS..BIsolated β-bridgetrans-82126.9175.2-105.5-178.5167.8170.80112E39 P40 E46 Q48K35-E39 HydrophobicContact CB-CB 3.91Å; K35-E39 HydrophobicContact CB-CG 4.42Å; K35-E39 HydrophobicContact CD-CB 3.54Å; K35-E39 HydrophobicContact CD-CG 4.38Å; K35-E39 VanDerWaalsContact CE-OE2 3.25Å; K35-E39 WeakPolarHBondContact CE-OE2 3.49Å; K35-E39 HydrophobicContact CG-CB 3.48Å; K35-E39 VanDerWaalsContact CG-CB 3.48Å; K35-E39 HydrophobicContact CG-CG 3.9Å; K35-E39 IonicContact NZ-OE2 3.97Å; K35-P40 WeakPolarHBondContact CD-O 3.2Å; K35-P40 WeakPolarHBondContact CE-O 3.49Å; K35-P40 PolarHBondContact NZ-O 3.1Å; K35-E46 WeakPolarHBondContact CB-O 3.48Å; K35-E46 PolarHBondContact N-O 3.4Å; K35-Q48 PolarHBondContact O-N 3.21Å
36G73.9Confident69Low35 Ų35103.8 Ų103.836%0.36152%0.515SS..  trans-73.7174.917500000112.7E39 C63G36-E39 VanDerWaalsContact O-CB 3.29Å; G36-E39 WeakPolarHBondContact O-CB 3.05Å; G36-E39 PolarHBondContact O-N 3.07Å; G36-C63 WeakPolarHBondContact O-CB 3.39Å
37I77.7Confident70Confident105 Ų10598.7 Ų98.754%0.53848%0.482SS..THydrogen-bonded Turntrans-64.8137.5177-60.2162.6000109.3E39 C63 P65 W75I37-E39 VanDerWaalsContact C-N 3.3Å; I37-C63 WeakPolarHBondContact CA-O 3.46Å; I37-P65 HydrophobicContact CD1-CB 3.95Å; I37-P65 HydrophobicContact CD1-CG 4.47Å; I37-P65 HydrophobicContact CG1-CB 4.44Å; I37-W75 HydrophobicContact CG2-CE3 4.24Å; I37-W75 HydrophobicContact CG2-CZ3 4.01Å
38G75.8Confident71.1Confident49 Ų4996 Ų9651%0.50547%0.47SS..THydrogen-bonded Turntrans83.63.7-179.600000114.5L62 C63G38-L62 WeakPolarHBondContact O-CD2 3.02Å; G38-C63 PolarHBondContact N-O 2.02Å
39E78.8Confident72.3Confident89 Ų8988.7 Ų88.742%0.41644%0.44SS..  trans-88.5143.8174.6-74.6-68.7155.700112K35 G36 I37 C41 L62 C63K35-E39 HydrophobicContact CB-CB 3.91Å; K35-E39 HydrophobicContact CB-CG 4.42Å; K35-E39 HydrophobicContact CD-CB 3.54Å; K35-E39 HydrophobicContact CD-CG 4.38Å; K35-E39 VanDerWaalsContact CE-OE2 3.25Å; K35-E39 WeakPolarHBondContact CE-OE2 3.49Å; K35-E39 HydrophobicContact CG-CB 3.48Å; K35-E39 VanDerWaalsContact CG-CB 3.48Å; K35-E39 HydrophobicContact CG-CG 3.9Å; K35-E39 IonicContact NZ-OE2 3.97Å; G36-E39 VanDerWaalsContact O-CB 3.29Å; G36-E39 WeakPolarHBondContact O-CB 3.05Å; G36-E39 PolarHBondContact O-N 3.07Å; I37-E39 VanDerWaalsContact C-N 3.3Å; E39-C41 PolarHBondContact O-N 3.39Å; E39-L62 CarbonylContact O-C 3.46Å; E39-L62 VanDerWaalsContact O-CA 3.28Å; E39-L62 WeakPolarHBondContact O-CA 3.03Å; E39-C63 PolarHBondContact O-N 3.34Å
40P81.7Confident73.3Confident65 Ų6584.1 Ų84.142%0.42242%0.423SS..BIsolated β-bridgetrans-71.4129.6-176.724.2-29.2000110.8K35 T61 L62K35-P40 WeakPolarHBondContact CD-O 3.2Å; K35-P40 WeakPolarHBondContact CE-O 3.49Å; K35-P40 PolarHBondContact NZ-O 3.1Å; P40-T61 CarbonylContact C-O 3.52Å; P40-T61 VanDerWaalsContact CA-O 3.25Å; P40-T61 WeakPolarHBondContact CA-O 3.28Å; P40-L62 HydrophobicContact CB-CD2 4.42Å
41C79.6Confident74.5Confident3 Ų376.5 Ų76.52%0.0238%0.383CS..  trans-125.4153.9-177.2550000110.2E39 E46 C47 C52 T61E39-C41 PolarHBondContact O-N 3.39Å; C41-E46 WeakPolarHBondContact CA-OE2 3.13Å; C41-E46 HydrophobicContact CB-CB 4.4Å; C41-C47 VanDerWaalsContact CB-SG 3.57Å; C41-C52 HydrophobicContact CB-CB 3.88Å; C41-C52 WeakPolarHBondContact CB-SG 3.27Å; C41-C52 PolarHBondContact O-SG 2.81Å; C41-C52 VanDerWaalsContact O-SG 3.34Å; C41-C52 WeakPolarHBondContact SG-CA 3.39Å; C41-C52 WeakPolarHBondContact SG-CB 3.44Å; C41-C52 CovalentContact SG-SG 2.02Å; C41-C52 PolarHBondContact SG-SG 3.47Å; C41-T61 PolarHBondContact N-O 2.95Å; C41-T61 WeakPolarHBondContact O-CB 3.39Å; C41-T61 PolarHBondContact O-OG1 2.8Å
42R80.6Confident75.9Confident225 Ų22572.2 Ų72.285%0.84936%0.361SS*.SBendtrans-106-31.5167.4-66.2-172.4178.1-173.41112E46R42-E46 WeakPolarHBondContact CB-OE1 3.43Å; R42-E46 PolarHBondContact N-OE1 3.37Å; R42-E46 PolarHBondContact N-OE2 3.14Å
43R72.4Confident77Confident150 Ų15067.9 Ų67.957%0.56634%0.339SS*.SBendtrans-126.8154.5-178.9-51.3-177.3-154.5-175.16.8111E45 E46R43-E45 VanDerWaalsContact C-N 3.29Å; R43-E45 HydrophobicContact CB-CG 3.81Å; R43-E45 WeakPolarHBondContact CD-OE1 3.14Å; R43-E45 IonicContact CZ-OE1 3.88Å; R43-E45 IonicContact NE-OE1 3.9Å; R43-E45 IonicContact NH1-OE1 3.1Å; R43-E45 PolarHBondContact NH1-OE1 2.77Å; R43-E45 VanDerWaalsContact NH1-OE1 3.1Å; R43-E45 PolarHBondContact O-N 3.09Å; R43-E46 HydrophobicContact CB-CG 4.35Å; R43-E46 WeakPolarHBondContact CB-OE1 3.44Å; R43-E46 WeakPolarHBondContact CG-OE1 3.05Å; R43-E46 PolarHBondContact N-OE1 3.17Å; R43-E46 WeakPolarHBondContact O-CB 3.21Å; R43-E46 PolarHBondContact O-N 3.31Å
44H79.6Confident77.6Confident98 Ų9872.4 Ų72.445%0.45436%0.361SS..G310 helixtrans-59.6-40.8179.9-70.676.4000111.9E46 C47 N50 C52H44-E46 PolarHBondContact O-N 2.89Å; H44-E46 VanDerWaalsContact O-N 3.14Å; H44-C47 PolarHBondContact O-N 2.73Å; H44-C47 VanDerWaalsContact O-N 3.17Å; H44-N50 WeakPolarHBondContact CB-O 3.33Å; H44-N50 PolarHBondContact CD2-O 3.04Å; H44-N50 CarbonylContact O-C 3.47Å; H44-N50 WeakPolarHBondContact O-CA 3.38Å; H44-C52 PolarHBondContact CD2-N 3.27Å
45E79.6Confident77.9Confident91 Ų9167.4 Ų67.443%0.42534%0.34SS..G310 helixtrans-62.6-15.3179.956.5-161.3-173.300115.4L32 S33 R43 C47L32-E45 CarbonylContact C-O 3.47Å; L32-E45 HydrophobicContact CD2-CG 4.33Å; S33-E45 WeakPolarHBondContact CA-O 3.14Å; S33-E45 PolarHBondContact N-O 3.5Å; R43-E45 VanDerWaalsContact C-N 3.29Å; R43-E45 HydrophobicContact CB-CG 3.81Å; R43-E45 WeakPolarHBondContact CD-OE1 3.14Å; R43-E45 IonicContact CZ-OE1 3.88Å; R43-E45 IonicContact NE-OE1 3.9Å; R43-E45 IonicContact NH1-OE1 3.1Å; R43-E45 PolarHBondContact NH1-OE1 2.77Å; R43-E45 VanDerWaalsContact NH1-OE1 3.1Å; R43-E45 PolarHBondContact O-N 3.09Å; E45-C47 VanDerWaalsContact C-N 3.35Å
46E79.9Confident77.1Confident39 Ų3969.2 Ų69.218%0.18236%0.36CS..G310 helixtrans-74.7-27.7176.4-66.1168.9-135.600112.3L32 S33 K35 C41 R42 R43 H44L32-E46 HydrophobicContact CD2-CG 4.44Å; L32-E46 CarbonylContact O-C 3.52Å; L32-E46 VanDerWaalsContact O-CA 3.27Å; L32-E46 WeakPolarHBondContact O-CA 3.42Å; L32-E46 VanDerWaalsContact O-O 3.13Å; S33-E46 WeakPolarHBondContact CA-O 3.21Å; K35-E46 WeakPolarHBondContact CB-O 3.48Å; K35-E46 PolarHBondContact N-O 3.4Å; C41-E46 WeakPolarHBondContact CA-OE2 3.13Å; C41-E46 HydrophobicContact CB-CB 4.4Å; R42-E46 WeakPolarHBondContact CB-OE1 3.43Å; R42-E46 PolarHBondContact N-OE1 3.37Å; R42-E46 PolarHBondContact N-OE2 3.14Å; R43-E46 HydrophobicContact CB-CG 4.35Å; R43-E46 WeakPolarHBondContact CB-OE1 3.44Å; R43-E46 WeakPolarHBondContact CG-OE1 3.05Å; R43-E46 PolarHBondContact N-OE1 3.17Å; R43-E46 WeakPolarHBondContact O-CB 3.21Å; R43-E46 PolarHBondContact O-N 3.31Å; H44-E46 PolarHBondContact O-N 2.89Å; H44-E46 VanDerWaalsContact O-N 3.14Å
47C80.9Confident76.4Confident0 Ų074.8 Ų74.80%038%0.381CS..BIsolated β-bridgetrans-90.9139.1-176.4-550000110.6S33 C41 H44 E45 S49 N50 C51 C63S33-C47 VanDerWaalsContact OG-C 3.26Å; S33-C47 PolarHBondContact OG-O 3.29Å; C41-C47 VanDerWaalsContact CB-SG 3.57Å; H44-C47 PolarHBondContact O-N 2.73Å; H44-C47 VanDerWaalsContact O-N 3.17Å; E45-C47 VanDerWaalsContact C-N 3.35Å; C47-S49 PolarHBondContact O-N 2.76Å; C47-N50 WeakPolarHBondContact O-CA 2.95Å; C47-N50 PolarHBondContact O-N 2.87Å; C47-C51 PolarHBondContact SG-O 3.5Å; C47-C51 VanDerWaalsContact SG-O 3.39Å; C47-C63 VanDerWaalsContact CA-SG 3.51Å; C47-C63 HydrophobicContact CB-CB 3.69Å; C47-C63 WeakPolarHBondContact CB-SG 3.45Å; C47-C63 WeakPolarHBondContact SG-CA 3.19Å; C47-C63 WeakPolarHBondContact SG-CB 3.03Å; C47-C63 CovalentContact SG-SG 2.03Å; C47-C63 PolarHBondContact SG-SG 3.24Å
48Q79.8Confident75.2Confident129 Ų12971.5 Ų71.560%0.60337%0.37SS*.THydrogen-bonded Turntrans-51.7-41.1170.4-84.8-1701.200112.1S33 K35 N50S33-Q48 WeakPolarHBondContact O-CG 3.03Å; S33-Q48 WeakPolarHBondContact OG-CA 3.1Å; S33-Q48 PolarHBondContact OG-N 3.21Å; K35-Q48 PolarHBondContact O-N 3.21Å; Q48-N50 PolarHBondContact O-N 3.43Å; Q48-N50 PolarHBondContact O-ND2 2.59Å
49S72.8Confident74.5Confident22 Ų2274.9 Ų74.915%0.15438%0.383CS..THydrogen-bonded Turntrans-74-3.9178.358.80000114.1C47 C51 T64 K66C47-S49 PolarHBondContact O-N 2.76Å; S49-C51 PolarHBondContact O-N 3.05Å; S49-C51 VanDerWaalsContact O-N 3.17Å; S49-C51 PolarHBondContact OG-N 3.39Å; S49-T64 WeakPolarHBondContact CB-O 3.32Å; S49-T64 PolarHBondContact OG-O 3.18Å; S49-K66 PolarHBondContact O-NZ 3.19Å
50N76.2Confident74Confident57 Ų5776.1 Ų76.131%0.30539%0.388SS..SBendtrans51.628.6-170.6-67.4-99.2000113.9H44 C47 Q48H44-N50 WeakPolarHBondContact CB-O 3.33Å; H44-N50 PolarHBondContact CD2-O 3.04Å; H44-N50 CarbonylContact O-C 3.47Å; H44-N50 WeakPolarHBondContact O-CA 3.38Å; C47-N50 WeakPolarHBondContact O-CA 2.95Å; C47-N50 PolarHBondContact O-N 2.87Å; Q48-N50 PolarHBondContact O-N 3.43Å; Q48-N50 PolarHBondContact O-ND2 2.59Å
51C80.1Confident73.6Confident0 Ų075.5 Ų75.50%038%0.383CS..  trans-129.4108.4-176.8-76.70000110C47 S49 C63 T64 C72C47-C51 PolarHBondContact SG-O 3.5Å; C47-C51 VanDerWaalsContact SG-O 3.39Å; S49-C51 PolarHBondContact O-N 3.05Å; S49-C51 VanDerWaalsContact O-N 3.17Å; S49-C51 PolarHBondContact OG-N 3.39Å; C51-C63 WeakPolarHBondContact O-CA 3.43Å; C51-T64 WeakPolarHBondContact CB-O 3.2Å; C51-T64 PolarHBondContact O-N 3.17Å; C51-C72 VanDerWaalsContact CA-SG 3.55Å; C51-C72 HydrophobicContact CB-CB 3.68Å; C51-C72 WeakPolarHBondContact CB-SG 3.25Å; C51-C72 VanDerWaalsContact SG-CA 3.52Å; C51-C72 WeakPolarHBondContact SG-CB 3.25Å; C51-C72 CovalentContact SG-SG 2.04Å; C51-C72 PolarHBondContact SG-SG 3Å
52C84.4Confident73.8Confident13 Ų1376.9 Ų76.99%0.08839%0.39CS..EExtended strand (participates in β ladder)trans-113.6105.6176.6-176.60000108.7C41 H44C41-C52 HydrophobicContact CB-CB 3.88Å; C41-C52 WeakPolarHBondContact CB-SG 3.27Å; C41-C52 PolarHBondContact O-SG 2.81Å; C41-C52 VanDerWaalsContact O-SG 3.34Å; C41-C52 WeakPolarHBondContact SG-CA 3.39Å; C41-C52 WeakPolarHBondContact SG-CB 3.44Å; C41-C52 CovalentContact SG-SG 2.02Å; C41-C52 PolarHBondContact SG-SG 3.47Å; H44-C52 PolarHBondContact CD2-N 3.27Å
53T80.3Confident73.9Confident23 Ų2366.2 Ų66.214%0.14135%0.35CS..EExtended strand (participates in β ladder)trans-127.5150.6-17464.20000111.4N55 L62 T64 C72T53-N55 PolarHBondContact O-N 3.06Å; T53-L62 PolarHBondContact N-O 2.88Å; T53-L62 PolarHBondContact O-N 3.22Å; T53-L62 VanDerWaalsContact O-O 3.08Å; T53-T64 WeakPolarHBondContact OG1-CG2 3.43Å; T53-T64 PolarHBondContact OG1-OG1 3.44Å; T53-C72 HydrophobicContact CG2-CB 3.82Å
54I71.9Confident74.1Confident113 Ų11359.6 Ų59.658%0.57933%0.326SS*.EExtended strand (participates in β ladder)trans-73.9124.6178.9-60.4165.3000108.1T61I54-T61 HydrophobicContact CD1-CG2 4.48Å; I54-T61 HydrophobicContact CG1-CG2 3.54Å
55N73.7Confident73.9Confident44 Ų4456.9 Ų56.924%0.23532%0.318CS..  trans-77.3134.2171.4-174.713.7000109.3T53 L57 A58 H60 L62T53-N55 PolarHBondContact O-N 3.06Å; N55-L57 PolarHBondContact O-N 2.8Å; N55-L57 VanDerWaalsContact O-N 3.09Å; N55-A58 PolarHBondContact O-N 3.29Å; N55-H60 PolarHBondContact N-O 2.76Å; N55-L62 HydrophobicContact CB-CD1 3.46Å; N55-L62 VanDerWaalsContact CB-CD1 3.46Å
56S59.1Low73.6Confident103 Ų10356.9 Ų56.972%0.7232%0.316SS*.THydrogen-bonded Turntrans-65.5-14.4179.7-168.40000113.5
57L58.5Low73.1Confident153 Ų15357.3 Ų57.380%0.80132%0.321SS*.THydrogen-bonded Turntrans-85.7-16.2-178-83.267.8000113.7N55N55-L57 PolarHBondContact O-N 2.8Å; N55-L57 VanDerWaalsContact O-N 3.09Å
58A52.6Low72.4Confident36 Ų3665.1 Ų65.130%0.29836%0.361SS..SBendtrans-155.9150.9178.400000110.1N55 H60N55-A58 PolarHBondContact O-N 3.29Å; A58-H60 PolarHBondContact O-N 3.1Å
59P62.9Low71.7Confident120 Ų12066.9 Ų66.978%0.77937%0.368SS*.SBendtrans-70.430.1178.232.3-37000113.3
60H66.4Low71.4Confident114 Ų11471.9 Ų71.953%0.52839%0.392SS..  trans-110.2129.1-178.6-61.6-59.1000110N55 A58N55-H60 PolarHBondContact N-O 2.76Å; A58-H60 PolarHBondContact O-N 3.1Å
61T74.8Confident70.9Confident53 Ų5374.8 Ų74.833%0.32540%0.404SS..EExtended strand (participates in β ladder)trans-72.9121.5168.937.80000108.7P40 C41 I54P40-T61 CarbonylContact C-O 3.52Å; P40-T61 VanDerWaalsContact CA-O 3.25Å; P40-T61 WeakPolarHBondContact CA-O 3.28Å; C41-T61 PolarHBondContact N-O 2.95Å; C41-T61 WeakPolarHBondContact O-CB 3.39Å; C41-T61 PolarHBondContact O-OG1 2.8Å; I54-T61 HydrophobicContact CD1-CG2 4.48Å; I54-T61 HydrophobicContact CG1-CG2 3.54Å
62L83Confident70.5Confident32 Ų3277.1 Ų77.117%0.16842%0.419CS..EExtended strand (participates in β ladder)trans-127150.3-174.2-67.2146.4000110.1G38 E39 P40 T53 N55 T64G38-L62 WeakPolarHBondContact O-CD2 3.02Å; E39-L62 CarbonylContact O-C 3.46Å; E39-L62 VanDerWaalsContact O-CA 3.28Å; E39-L62 WeakPolarHBondContact O-CA 3.03Å; P40-L62 HydrophobicContact CB-CD2 4.42Å; T53-L62 PolarHBondContact N-O 2.88Å; T53-L62 PolarHBondContact O-N 3.22Å; T53-L62 VanDerWaalsContact O-O 3.08Å; N55-L62 HydrophobicContact CB-CD1 3.46Å; N55-L62 VanDerWaalsContact CB-CD1 3.46Å; L62-T64 PolarHBondContact O-N 2.87Å
63C83.9Confident69.7Low1 Ų180.6 Ų80.61%0.00744%0.436CS..EExtended strand (participates in β ladder)trans-69.3123.4175.8-69.50000110.5G36 I37 G38 E39 C47 C51G36-C63 WeakPolarHBondContact O-CB 3.39Å; I37-C63 WeakPolarHBondContact CA-O 3.46Å; G38-C63 PolarHBondContact N-O 2.02Å; E39-C63 PolarHBondContact O-N 3.34Å; C47-C63 VanDerWaalsContact CA-SG 3.51Å; C47-C63 HydrophobicContact CB-CB 3.69Å; C47-C63 WeakPolarHBondContact CB-SG 3.45Å; C47-C63 WeakPolarHBondContact SG-CA 3.19Å; C47-C63 WeakPolarHBondContact SG-CB 3.03Å; C47-C63 CovalentContact SG-SG 2.03Å; C47-C63 PolarHBondContact SG-SG 3.24Å; C51-C63 WeakPolarHBondContact O-CA 3.43Å
64T76.3Confident68.9Low10 Ų1081.9 Ų81.96%0.06145%0.445CS..  trans-115.1149.3177.553.50000111.3S49 C51 T53 L62S49-T64 WeakPolarHBondContact CB-O 3.32Å; S49-T64 PolarHBondContact OG-O 3.18Å; C51-T64 WeakPolarHBondContact CB-O 3.2Å; C51-T64 PolarHBondContact O-N 3.17Å; T53-T64 WeakPolarHBondContact OG1-CG2 3.43Å; T53-T64 PolarHBondContact OG1-OG1 3.44Å; L62-T64 PolarHBondContact O-N 2.87Å
65P73.8Confident68.1Low42 Ų4284 Ų8427%0.27345%0.446SS..PPolyproline II helixtrans-67.5153.717632.7-38.7000110.9I37 W75I37-P65 HydrophobicContact CD1-CB 3.95Å; I37-P65 HydrophobicContact CD1-CG 4.47Å; I37-P65 HydrophobicContact CG1-CB 4.44Å; P65-W75 HydrophobicContact CG-CE3 3.73Å; P65-W75 HydrophobicContact CG-CZ3 3.55Å
66K73.5Confident67.1Low91 Ų9190.2 Ų90.240%0.39647%0.466SS..BIsolated β-bridgetrans-73.7139.3166-82-17415985.70109.6S49 L70S49-K66 PolarHBondContact O-NZ 3.19Å; K66-L70 HydrophobicContact CD-CB 4.48Å; K66-L70 HydrophobicContact CD-CG 4.37Å
67T69.5Low66.5Low47 Ų4793.7 Ų93.729%0.28847%0.468SS..PPolyproline II helixtrans-79.3171.5168.959.60000111.1F69 L70 Q71 L73T67-F69 PolarHBondContact O-N 3.25Å; T67-L70 WeakPolarHBondContact O-CA 3.12Å; T67-L70 PolarHBondContact O-N 3.23Å; T67-Q71 PolarHBondContact N-O 3.32Å; T67-Q71 PolarHBondContact OG1-N 3.33Å; T67-Q71 PolarHBondContact OG1-O 3.43Å; T67-Q71 VanDerWaalsContact OG1-O 3.1Å; T67-L73 HydrophobicContact CG2-CB 4.12Å; T67-L73 HydrophobicContact CG2-CD1 3.83Å; T67-L73 HydrophobicContact CG2-CG 4.03Å
68I66Low65.8Low164 Ų16492.7 Ų92.784%0.84147%0.469SS*.THydrogen-bonded Turntrans-55.8-23.6178-59.8166.4000111.8
69F66.1Low65.6Low167 Ų16794.9 Ų94.973%0.73248%0.482SS*.THydrogen-bonded Turntrans-92.111.2176.2-60.4-76.8000114.2T67 Q71T67-F69 PolarHBondContact O-N 3.25Å; F69-Q71 HydrophobicContact CB-CG 4.35Å; F69-Q71 PolarHBondContact O-N 3.09Å
70L66.3Low64.9Low126 Ų12695.2 Ų95.266%0.6648%0.484SS*.  trans5912.1-175.2-77.269.8000114.7K66 T67K66-L70 HydrophobicContact CD-CB 4.48Å; K66-L70 HydrophobicContact CD-CG 4.37Å; T67-L70 WeakPolarHBondContact O-CA 3.12Å; T67-L70 PolarHBondContact O-N 3.23Å
71Q65.1Low63.7Low119 Ų11998 Ų9856%0.55650%0.499SS*.  trans-83133.8178.1-67.6-179.4-0.400110.7T67 F69 L73T67-Q71 PolarHBondContact N-O 3.32Å; T67-Q71 PolarHBondContact OG1-N 3.33Å; T67-Q71 PolarHBondContact OG1-O 3.43Å; T67-Q71 VanDerWaalsContact OG1-O 3.1Å; F69-Q71 HydrophobicContact CB-CG 4.35Å; F69-Q71 PolarHBondContact O-N 3.09Å; Q71-L73 HydrophobicContact CB-CG 4.45Å; Q71-L73 PolarHBondContact O-N 3.4Å
72C71.4Confident62.6Low48 Ų4898.7 Ų98.732%0.32452%0.517SS..BIsolated β-bridgetrans-74.690.5172.4-580000108.9C51 T53C51-C72 VanDerWaalsContact CA-SG 3.55Å; C51-C72 HydrophobicContact CB-CB 3.68Å; C51-C72 WeakPolarHBondContact CB-SG 3.25Å; C51-C72 VanDerWaalsContact SG-CA 3.52Å; C51-C72 WeakPolarHBondContact SG-CB 3.25Å; C51-C72 CovalentContact SG-SG 2.04Å; C51-C72 PolarHBondContact SG-SG 3Å; T53-C72 HydrophobicContact CG2-CB 3.82Å
73L68.8Low60.9Low86 Ų86103.9 Ų103.945%0.4555%0.55SS.*  trans-92.2137.5174.9-65-174.8000110.2T67 Q71 W75T67-L73 HydrophobicContact CG2-CB 4.12Å; T67-L73 HydrophobicContact CG2-CD1 3.83Å; T67-L73 HydrophobicContact CG2-CG 4.03Å; Q71-L73 HydrophobicContact CB-CG 4.45Å; Q71-L73 PolarHBondContact O-N 3.4Å; L73-W75 PolarHBondContact O-N 2.03Å
74P62.5Low59.3Low51 Ų51110.5 Ų110.533%0.33159%0.585SS.*  trans-62.2136.6169.127.2-32.5000108.2R76P74-R76 PolarHBondContact O-N 2.84Å
75W54.8Low57.8Low158 Ų158113.3 Ų113.360%0.59861%0.61SS**  trans-60.498.3-179.3-166.9-72.9000109.9I37 P65 L73I37-W75 HydrophobicContact CG2-CE3 4.24Å; I37-W75 HydrophobicContact CG2-CZ3 4.01Å; P65-W75 HydrophobicContact CG-CE3 3.73Å; P65-W75 HydrophobicContact CG-CZ3 3.55Å; L73-W75 PolarHBondContact O-N 2.03Å
76R54.4Low56.5Low173 Ų173121.1 Ų121.165%0.65363%0.634SS**  trans-91.2103.5169.5-68.9-78.1-168.8161.32.8106P74 V78P74-R76 PolarHBondContact O-N 2.84Å; R76-V78 PolarHBondContact O-N 2.84Å
77K45.5Very low55.2Low176 Ų176122.6 Ų122.677%0.76565%0.651SS**  trans-59.8115.3161.7-172.9160.1-173.6173.10105.9S79K77-S79 PolarHBondContact O-N 3.21Å
78V44.9Very low54.1Low133 Ų133124.6 Ų124.681%0.80666%0.663SS**  trans-69.375.6171.6-73.30000107.8R76R76-V78 PolarHBondContact O-N 2.84Å
79S48.4Very low52.9Low82 Ų82125.5 Ų125.557%0.57366%0.664SS**  trans-57.4127.5156-58.70000105.7K77 M81K77-S79 PolarHBondContact O-N 3.21Å; S79-M81 PolarHBondContact O-N 2.87Å
80P48.2Very low51.7Low127 Ų127123.2 Ų123.283%0.82567%0.668SS**SBendtrans-71.776.3173.830.8-31.9000107.3
81M39.6Very low50.5Low171 Ų171120.6 Ų120.684%0.84267%0.665SS**  trans-163.9119.5162.6-140.362.6171.900108.5S79S79-M81 PolarHBondContact O-N 2.87Å
82G52.8Low49.6Very low69 Ų69124.7 Ų124.771%0.71168%0.675SS**  trans-59.6152.9-170.900000114.2
83T47.1Very low48.1Very low140 Ų140126.8 Ų126.886%0.85970%0.696SS**  -172121128.721.10000106.3A85T83-A85 PolarHBondContact O-N 3.38Å
84D50.1Low46.7Very low140 Ų140127.1 Ų127.175%0.74971%0.711SS**  trans-53.2104.1174-70.4-70.9000110.7R86D84-R86 HydrophobicContact CB-CB 4.44Å; D84-R86 PolarHBondContact O-N 2.53Å
85A45.1Very low45.7Very low69 Ų69128.8 Ų128.857%0.5773%0.729SS**  trans-84.544.2155.500000109.6T83 T87T83-A85 PolarHBondContact O-N 3.38Å; A85-T87 PolarHBondContact O-N 3.01Å
86R45.6Very low45Very low207 Ų207125.6 Ų125.678%0.78174%0.736SS**  trans-88.761.3163.7-170.7-173.9-70.5153.71.1107.9D84D84-R86 HydrophobicContact CB-CB 4.44Å; D84-R86 PolarHBondContact O-N 2.53Å
87T47.6Very low44.4Very low122 Ų122122.8 Ų122.875%0.74874%0.744SS**SBendtrans-156.7134.4162.8-600000106.6A85A85-T87 PolarHBondContact O-N 3.01Å
88T45.7Very low44Very low88 Ų88118.9 Ų118.954%0.5474%0.744SS.*SBendtrans87.632.7176.8-2.20000118.8
89Q41.6Very low44Very low184 Ų184118.4 Ų118.486%0.8674%0.742SS**SBendtrans-100.8-16.5160.7-102.4174.5-13.300114.2
90S39.5Very low43.9Very low118 Ų118120.9 Ų120.983%0.82575%0.753SS**SBendtrans-86-10-177.856.10000115.5
91A42.8Very low43.6Very low72 Ų72119.1 Ų119.160%0.59575%0.749SS**SBendtrans-100.2-8-174.600000115.5
92R45.8Very low43.6Very low204 Ų204122.1 Ų122.177%0.7775%0.751SS**SBendtrans-1052.9-177-71.6-174.7-176.5140.30.6115.2A94R92-A94 PolarHBondContact O-N 3.44Å; R92-A94 VanDerWaalsContact O-N 3.17Å
93A38.5Very low43Very low92 Ų92130.2 Ų130.276%0.7676%0.76SS**THydrogen-bonded Turntrans-68.8-3.5171.600000113.9
94A40.3Very low42.9Very low93 Ų93129 Ų12977%0.76976%0.758SS**THydrogen-bonded Turntrans-103.5-5.6-176.300000115.7R92R92-A94 PolarHBondContact O-N 3.44Å; R92-A94 VanDerWaalsContact O-N 3.17Å
95A42.1Very low42.2Very low87 Ų87128.4 Ų128.472%0.71976%0.763SS**SBendtrans-107.1-1-166.300000116.8
96A39.1Very low41.9Very low90 Ų90129.7 Ų129.774%0.74477%0.774SS**SBendtrans-121.19.2-176.800000115.1A98A96-A98 VanDerWaalsContact C-N 3.32Å
97S42.4Very low41.9Very low115 Ų115131.5 Ų131.580%0.80478%0.78SS**SBendtrans-90.96.5168.6-54.40000113T99S97-T99 VanDerWaalsContact C-N 3.31Å; S97-T99 PolarHBondContact O-N 2.58Å
98A37Very low41.5Very low93 Ų93131.4 Ų131.477%0.76978%0.782SS**  trans-97.449.4170.800000111.2A96 T100A96-A98 VanDerWaalsContact C-N 3.32Å; A98-T100 PolarHBondContact O-N 2.81Å
99T45.3Very low41Very low124 Ų124136.7 Ų136.776%0.76180%0.798SS**  trans-74.8102.2146-48.60000105.1S97S97-T99 VanDerWaalsContact C-N 3.31Å; S97-T99 PolarHBondContact O-N 2.58Å
100T46.4Very low41.4Very low133 Ų133132.8 Ų132.882%0.81680%0.797SS**  trans173117.6140.9-73.50000108.8A98A98-T100 PolarHBondContact O-N 2.81Å
101A40.7Very low41.7Very low90 Ų90132.5 Ų132.574%0.74479%0.794SS**  trans125.6131.115400000114.4
102R40Very low41.5Very low234 Ų234134.5 Ų134.588%0.88380%0.804SS**  trans81.777178.5-57.2-177.5-169-125.70.7113.1
103R40.5Very low41.3Very low239 Ų239130.9 Ų130.990%0.90281%0.809SS**  34106.565-89-170.2-160.5-152.34.9112.5
104S45.2Very low41.3Very low116 Ų116131.8 Ų131.881%0.81181%0.809SS**  trans53.696.2149.6-570000117.4
105C36.1Very low41.2Very low127 Ų127133.8 Ų133.886%0.85881%0.812SS**  trans-124.6115.1145.4-72.60000108.6
106A38.7Very low40.7Very low95 Ų95135.4 Ų135.479%0.78582%0.817SS**  trans-55.8148.5172.300000111.2P108A106-P108 WeakPolarHBondContact O-CD 3.29Å
107R45.4Very low40.8Very low245 Ų245137 Ų13793%0.92582%0.819SS**  trans-43.5120.7169.5-172.5-169.5-80.1-140.60.8110.9
108P38.9Very low40.4Very low120 Ų120135.2 Ų135.278%0.77982%0.819SS**  trans-88.7136.3168.632.7-28000110.2A106A106-P108 WeakPolarHBondContact O-CD 3.29Å
109K35.5Very low40.4Very low200 Ų200135.4 Ų135.487%0.8782%0.82SS**  trans-75.8143.3169.4-162.8150.8-176.6171.20108.2S111K109-S111 PolarHBondContact O-N 2.72Å; K109-S111 VanDerWaalsContact O-N 3.14Å
110A49.3Very low40Very low102 Ų102135 Ų13584%0.84382%0.823SS**SBendtrans-63.7109.5178.900000111
111S45.7Very low39.8Very low111 Ų111134.5 Ų134.578%0.77682%0.822SS**  trans-173.8136.1149.850.10000111K109K109-S111 PolarHBondContact O-N 2.72Å; K109-S111 VanDerWaalsContact O-N 3.14Å
112S38Very low39.8Very low115 Ų115136.9 Ų136.980%0.80483%0.827SS**  trans83.3109.1164.3-140.60000118.5
113C42.2Very low39.6Very low128 Ų128130 Ų13087%0.86582%0.82SS**  trans-61.4128.7167.5-580000110.5
114S37.9Very low39.6Very low110 Ų110125.5 Ų125.577%0.76982%0.82SS**  trans-124.1116.6164.4-60.70000108.3
115V38Very low39.3Very low136 Ų136125.7 Ų125.782%0.82482%0.821SS**PPolyproline II helixtrans-67.4128.4178.4174.30000109.3
116C32.9Very low39.3Very low121 Ų121124.4 Ų124.482%0.81882%0.819SS**PPolyproline II helixtrans-100.1124.7163.1-68.60000108.6
117P40Very low39.3Very low122 Ų122124.8 Ų124.879%0.79282%0.823SS**PPolyproline II helixtrans-82.3138.9177.232.5-30.4000110.9
118G35.3Very low38.9Very low78 Ų78117.9 Ų117.980%0.80482%0.818SS**  trans78.679.9145.800000117.7
119A36Very low38.9Very low97 Ų97119.7 Ų119.780%0.80282%0.819SS**  trans-142.296.5138.300000107.3P121A119-P121 WeakPolarHBondContact O-CD 3.5Å
120S37.3Very low39.1Very low117 Ų117121.3 Ų121.382%0.81882%0.82SS**  trans-58.7135.6173.2-590000110.7
121P42.1Very low38.5Very low122 Ų122121.9 Ų121.979%0.79282%0.818SS**  trans-119.1107.7137.432.6-27000109.6A119 A123A119-P121 WeakPolarHBondContact O-CD 3.5Å; P121-A123 PolarHBondContact O-N 3.14Å
122T41.8Very low38.4Very low139 Ų139123.6 Ų123.685%0.85382%0.824SS**  trans-65.1110.9155.640.10000108.6
123A35.2Very low38.5Very low89 Ų89124.5 Ų124.574%0.73682%0.824SS**  trans168.689.2137.800000109.9P121P121-A123 PolarHBondContact O-N 3.14Å
124T41.1Very low38.3Very low146 Ų146123.3 Ų123.390%0.89682%0.824SS**  32.5104.7129.3-32.80000118.7
125S38.9Very low38.2Very low119 Ų119124.1 Ų124.183%0.83283%0.829SS**  -162.6111.2122.3600000109.5
126A35.8Very low38.4Very low100 Ų100122.6 Ų122.683%0.82683%0.831SS**  trans-71.4168.8-178.600000113.1
127A37.2Very low38.7Very low104 Ų104121.3 Ų121.386%0.8683%0.829SS**  trans88.185.5159.800000117
128A38Very low38.7Very low99 Ų99120.9 Ų120.982%0.81883%0.829SS**  trans-147.472.1150.500000110.3
129I39.6Very low38.9Very low158 Ų158126.4 Ų126.481%0.8186%0.855SS**  trans-148.4133158.5-40.2178000111.2
130R39.5Very low39.1Very low235 Ų235127.9 Ų127.989%0.88786%0.858SS**  trans90.5105.4155.7-79.3158.6157.7-137.8-13118.5
131S36.1Very low39.2Very low114 Ų114128.5 Ų128.580%0.79786%0.86SS**  -175.8110.6105.646.60000110.8
132V43.3Very low39Very low147 Ų147128.8 Ų128.889%0.89186%0.864SS**  trans-114.297.8164.7-1470000105.6
133T40Very low38.9Very low133 Ų133128.2 Ų128.282%0.81687%0.865SS**  trans-169.4128.3159.437.30000110.7
134A38.3Very low39.1Very low104 Ų104130.7 Ų130.786%0.8687%0.873SS**  trans69.3105.3153.100000119.1
135S36.8Very low39Very low126 Ų126129.7 Ų129.788%0.88187%0.871SS**  trans-146.699.4135.8-160.10000109.6
136A42.3Very low39Very low105 Ų105130.4 Ų130.487%0.86887%0.874SS**  trans-132.388.416300000106.3
137A38.9Very low39.2Very low93 Ų93132.8 Ų132.877%0.76988%0.878SS**  trans-172.4105.4162.500000110.4
138S40.3Very low39.4Very low113 Ų113135.2 Ų135.279%0.7988%0.879SS**  trans-176122155.7580000105.1
139S39.5Very low39.5Very low195 Ų195138.5 Ų138.5100%1.36489%0.885SS**  cis-158.2014.7-62.80000108.4

Retrieved 139 of 139 residues in 189.2 ms (Link to these results)