A0A096NPU9_PAPAN Loading...

Secretin

AlphaFold DB (A0A2K5M454), UniProt , Accession A0A096NPU9, Species PAPAN (Papio anubis, Olive baboon), Gene SCT, Length 125 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
1M67.4Low76Confident239 Ų239122.5 Ų122.5100%1.17765%0.645SS**  0101.70-76.7149.691.600107.8
2A61.6Low75.5Confident72 Ų72124.6 Ų124.660%0.59566%0.656SS**  trans-67.7131.7174.900000108.6R4A2-R4 PolarHBondContact O-N 3.24Å
3P79.9Confident75.3Confident68 Ų68125.8 Ų125.844%0.44266%0.662SS.*  trans-65.1122.6-177.727.7-34.1000108.4P5 L6P3-P5 HydrophobicContact CB-CG 4.1Å; P3-P5 WeakPolarHBondContact O-CD 3.36Å; P3-L6 HydrophobicContact CG-CB 4.22Å; P3-L6 HydrophobicContact CG-CD1 3.47Å; P3-L6 VanDerWaalsContact CG-CD1 3.47Å; P3-L6 HydrophobicContact CG-CG 3.79Å; P3-L6 WeakPolarHBondContact O-CB 3.47Å; P3-L6 PolarHBondContact O-N 3.45Å
4R75.5Confident74.7Confident209 Ų209120.5 Ų120.579%0.78965%0.653SS**Hα-helixtrans-40.5-37.6176.1-66-179.4169.6104.3-1.9115.2A2 L6 L7 L8A2-R4 PolarHBondContact O-N 3.24Å; R4-L6 VanDerWaalsContact C-N 3.33Å; R4-L6 PolarHBondContact O-N 3.23Å; R4-L7 PolarHBondContact O-N 3.16Å; R4-L8 PolarHBondContact O-N 3.15Å
5P81.1Confident73.7Confident92 Ų92116.9 Ų116.960%0.59766%0.655SS**Hα-helixtrans-65.3-30.7176.224.8-37.4000114.3P3 L8 L9P3-P5 HydrophobicContact CB-CG 4.1Å; P3-P5 WeakPolarHBondContact O-CD 3.36Å; P5-L8 PolarHBondContact O-N 3.06Å; P5-L9 WeakPolarHBondContact O-CB 3.1Å; P5-L9 PolarHBondContact O-N 3.26Å
6L79.6Confident73Confident89 Ų89116.3 Ų116.347%0.46666%0.661SS.*Hα-helixtrans-68-38.3176.2-74.6179.4000111.1P3 R4 L8 L9 L10P3-L6 HydrophobicContact CG-CB 4.22Å; P3-L6 HydrophobicContact CG-CD1 3.47Å; P3-L6 VanDerWaalsContact CG-CD1 3.47Å; P3-L6 HydrophobicContact CG-CG 3.79Å; P3-L6 WeakPolarHBondContact O-CB 3.47Å; P3-L6 PolarHBondContact O-N 3.45Å; R4-L6 VanDerWaalsContact C-N 3.33Å; R4-L6 PolarHBondContact O-N 3.23Å; L6-L8 VanDerWaalsContact C-N 3.31Å; L6-L8 PolarHBondContact O-N 3.4Å; L6-L9 HydrophobicContact CD2-CD2 4.43Å; L6-L9 PolarHBondContact O-N 3.46Å; L6-L10 HydrophobicContact CB-CD1 4.31Å; L6-L10 WeakPolarHBondContact O-CB 3.47Å; L6-L10 WeakPolarHBondContact O-CD1 3.26Å; L6-L10 PolarHBondContact O-N 2.68Å
7L78.4Confident72.3Confident109 Ų109114.5 Ų114.557%0.57166%0.664SS**Hα-helixtrans-63-38.9175.6-67.9171.4000111.8R4 L10 L11R4-L7 PolarHBondContact O-N 3.16Å; L7-L10 PolarHBondContact O-N 2.95Å; L7-L11 WeakPolarHBondContact O-CB 3.4Å; L7-L11 PolarHBondContact O-N 3.04Å
8L78.3Confident71.9Confident121 Ų121113.2 Ų113.263%0.63467%0.668SS**Hα-helixtrans-66.2-41.3174.7-66.2173.1000111.8R4 P5 L6 L11 L12R4-L8 PolarHBondContact O-N 3.15Å; P5-L8 PolarHBondContact O-N 3.06Å; L6-L8 VanDerWaalsContact C-N 3.31Å; L6-L8 PolarHBondContact O-N 3.4Å; L8-L11 PolarHBondContact O-N 2.97Å; L8-L12 WeakPolarHBondContact O-CB 3.36Å; L8-L12 PolarHBondContact O-N 3.45Å
9L79Confident71.4Confident100 Ų100119.6 Ų119.652%0.52468%0.68SS.*Hα-helixtrans-65.6-41.9176.5-175.563.9000111.9P5 L6 L11 L12 L13P5-L9 WeakPolarHBondContact O-CB 3.1Å; P5-L9 PolarHBondContact O-N 3.26Å; L6-L9 HydrophobicContact CD2-CD2 4.43Å; L6-L9 PolarHBondContact O-N 3.46Å; L9-L11 VanDerWaalsContact C-N 3.35Å; L9-L12 PolarHBondContact O-N 3.37Å; L9-L13 WeakPolarHBondContact O-CB 3.29Å; L9-L13 PolarHBondContact O-N 2.98Å
10L79.4Confident71Confident118 Ų118119.2 Ų119.262%0.61868%0.682SS**Hα-helixtrans-65.9-35.5174.1-88.5111000112.2L6 L7 G14L6-L10 HydrophobicContact CB-CD1 4.31Å; L6-L10 WeakPolarHBondContact O-CB 3.47Å; L6-L10 WeakPolarHBondContact O-CD1 3.26Å; L6-L10 PolarHBondContact O-N 2.68Å; L7-L10 PolarHBondContact O-N 2.95Å; L10-G14 WeakPolarHBondContact O-CA 3.46Å; L10-G14 PolarHBondContact O-N 3.49Å
11L75.3Confident70.9Confident131 Ų131117.4 Ų117.469%0.68668%0.682SS**Hα-helixtrans-69.6-40.2175.7-169.768000111.5L7 L8 L9 G15L7-L11 WeakPolarHBondContact O-CB 3.4Å; L7-L11 PolarHBondContact O-N 3.04Å; L8-L11 PolarHBondContact O-N 2.97Å; L9-L11 VanDerWaalsContact C-N 3.35Å; L11-G15 PolarHBondContact O-N 3.19Å; L11-G15 VanDerWaalsContact O-N 3.12Å
12L70.8Confident71.3Confident147 Ų147111 Ų11177%0.7766%0.658SS**Hα-helixtrans-70.3-37.3177.8-168.766000112L8 L9L8-L12 WeakPolarHBondContact O-CB 3.36Å; L8-L12 PolarHBondContact O-N 3.45Å; L9-L12 PolarHBondContact O-N 3.37Å
13L73Confident71.8Confident140 Ų140113.6 Ų113.673%0.73367%0.669SS**Hα-helixtrans-83.1-34.2179.9-166.862.8000112.7L9L9-L13 WeakPolarHBondContact O-CB 3.29Å; L9-L13 PolarHBondContact O-N 2.98Å
14G66.1Low71.5Confident52 Ų52121.1 Ų121.154%0.53669%0.688SS.*Hα-helixtrans-81.6-18.4179.700000114.6L10 S16L10-G14 WeakPolarHBondContact O-CA 3.46Å; L10-G14 PolarHBondContact O-N 3.49Å; G14-S16 PolarHBondContact O-N 3.28Å
15G60.3Low71.2Confident67 Ų67115.3 Ų115.369%0.69169%0.685SS**THydrogen-bonded Turntrans-70-8.2179.200000115.3L11L11-G15 PolarHBondContact O-N 3.19Å; L11-G15 VanDerWaalsContact O-N 3.12Å
16S63Low70.5Confident106 Ų106121.5 Ų121.574%0.74170%0.697SS**THydrogen-bonded Turntrans-101.2-2.5-175.8-164.40000114.7G14 A18G14-S16 PolarHBondContact O-N 3.28Å; S16-A18 PolarHBondContact O-N 2.96Å
17A61.2Low70.1Confident87 Ų87125.3 Ų125.372%0.71971%0.705SS**SBendtrans-88.29817700000110.2
18A63.5Low69.5Low90 Ų90128 Ų12874%0.74471%0.714SS**  trans62.168.6162.400000115.9S16 P20S16-A18 PolarHBondContact O-N 2.96Å; A18-P20 WeakPolarHBondContact O-CD 3.46Å
19R63.8Low69Low235 Ų235125.2 Ų125.289%0.88770%0.704SS**  trans-68.4111.5150-168.7170.4179.7167.2-0.9106.5A21R19-A21 PolarHBondContact O-N 3.42Å; R19-A21 VanDerWaalsContact O-N 3.08Å
20P62Low68.4Low112 Ų112124.4 Ų124.473%0.72770%0.701SS**PPolyproline II helixtrans-57.2123.1175.923-31.1000107A18A18-P20 WeakPolarHBondContact O-CD 3.46Å
21A70.7Confident67.9Low81 Ų81120.9 Ų120.967%0.66969%0.692SS**PPolyproline II helixtrans-53.1132.3178.900000107.9R19R19-A21 PolarHBondContact O-N 3.42Å; R19-A21 VanDerWaalsContact O-N 3.08Å
22P75.1Confident67.6Low104 Ų104118.7 Ų118.768%0.67569%0.685SS**PPolyproline II helixtrans-53.9141.3179.321.5-31.4000108.9R24P22-R24 PolarHBondContact O-N 2.91Å
23P72.8Confident67.3Low127 Ų127119.3 Ų119.383%0.82568%0.682SS**PPolyproline II helixtrans-51.8117.4179.421-31.5000107.8A25P23-A25 PolarHBondContact O-N 2.82Å; P23-A25 VanDerWaalsContact O-N 3.1Å
24R71.9Confident67.4Low227 Ų227116.7 Ų116.786%0.85767%0.672SS**PPolyproline II helixtrans-55.6124.1-177.7-64.1-175.6-177.4-133.3-0.4106.7P22 R26P22-R24 PolarHBondContact O-N 2.91Å; R24-R26 PolarHBondContact O-N 2.92Å
25A69.8Low68.1Low87 Ų87116.4 Ų116.472%0.71966%0.661SS**PPolyproline II helixtrans-48.6133.4176.500000108.9P23 R27P23-A25 PolarHBondContact O-N 2.82Å; P23-A25 VanDerWaalsContact O-N 3.1Å; A25-R27 VanDerWaalsContact C-N 3.33Å; A25-R27 PolarHBondContact O-N 3.27Å
26R66.3Low69.4Low222 Ų222117.2 Ų117.284%0.83865%0.647SS**  trans-5893.3-177.9-179.2173.6173.1177.4-3.5108.9R24 H28R24-R26 PolarHBondContact O-N 2.92Å; R26-H28 PolarHBondContact O-N 3.35Å
27R71.4Confident70.5Confident169 Ų169116.8 Ų116.864%0.63864%0.636SS**  trans-67.8122.2170.7-57.7-171.6-179.4-99.4-1.7105.7A25 S29 D30A25-R27 VanDerWaalsContact C-N 3.33Å; A25-R27 PolarHBondContact O-N 3.27Å; R27-S29 WeakPolarHBondContact CB-OG 3.4Å; R27-S29 PolarHBondContact O-N 3.46Å; R27-D30 HydrophobicContact CB-CB 4.16Å; R27-D30 WeakPolarHBondContact CB-OD2 3.41Å; R27-D30 WeakPolarHBondContact CD-OD2 3.49Å; R27-D30 PolarHBondContact O-N 3.46Å
28H66.1Low71.8Confident166 Ų166116.2 Ų116.277%0.76963%0.627SS**THydrogen-bonded Turntrans-56.6-21.1178.4-64.5-57.7000112.5R26R26-H28 PolarHBondContact O-N 3.35Å
29S66.8Low73.1Confident61 Ų61119.5 Ų119.543%0.42762%0.62SS.*THydrogen-bonded Turntrans-71.9-37.7172.354.30000114.3R27 G31R27-S29 WeakPolarHBondContact CB-OG 3.4Å; R27-S29 PolarHBondContact O-N 3.46Å; S29-G31 PolarHBondContact O-N 3.42Å
30D66.6Low74.5Confident84 Ų84114.3 Ų114.345%0.44961%0.609SS.*THydrogen-bonded Turntrans-78.6-14.6-168-63.9-1.5000111.4R27 T34R27-D30 HydrophobicContact CB-CB 4.16Å; R27-D30 WeakPolarHBondContact CB-OD2 3.41Å; R27-D30 WeakPolarHBondContact CD-OD2 3.49Å; R27-D30 PolarHBondContact O-N 3.46Å; D30-T34 PolarHBondContact O-OG1 2.86Å
31G69.4Low76Confident43 Ų43117.5 Ų117.544%0.44361%0.607SS.*THydrogen-bonded Turntrans-94.3-22.2-175.700000116.2S29 S35S29-G31 PolarHBondContact O-N 3.42Å; G31-S35 WeakPolarHBondContact O-CB 3.41Å; G31-S35 PolarHBondContact O-OG 2.87Å
32T69.3Low77.1Confident85 Ų85118.5 Ų118.552%0.52160%0.597SS.*THydrogen-bonded Turntrans-104.7-46.3-172.9-48.50000112.6S35 E36T32-S35 PolarHBondContact O-OG 3.16Å; T32-E36 WeakPolarHBondContact O-CB 3.4Å; T32-E36 VanDerWaalsContact O-CG 3.31Å; T32-E36 WeakPolarHBondContact O-CG 3.39Å; T32-E36 PolarHBondContact O-N 2.99Å
33F63.7Low78Confident161 Ų161115.4 Ų115.471%0.70658%0.584SS**Hα-helixtrans-74.1-36.4-177.1-66.5-74.4000112.5L37F33-L37 WeakPolarHBondContact O-CB 3.38Å; F33-L37 PolarHBondContact O-N 2.84Å; F33-L37 VanDerWaalsContact O-N 3.15Å
34T76.2Confident79Confident85 Ų85111.1 Ų111.152%0.52156%0.56SS.*Hα-helixtrans-75.3-36.5-178.670.10000111.6D30 S38D30-T34 PolarHBondContact O-OG1 2.86Å; T34-S38 WeakPolarHBondContact O-CB 3.46Å; T34-S38 PolarHBondContact O-N 3.3Å
35S80.6Confident80.1Confident45 Ų45108.2 Ų108.232%0.31555%0.548SS..Hα-helixtrans-67.9-43.6177.463.20000111.7G31 T32 S38 R39G31-S35 WeakPolarHBondContact O-CB 3.41Å; G31-S35 PolarHBondContact O-OG 2.87Å; T32-S35 PolarHBondContact O-OG 3.16Å; S35-S38 WeakPolarHBondContact O-CB 3.04Å; S35-S38 PolarHBondContact O-N 2.93Å; S35-R39 WeakPolarHBondContact O-CG 3.43Å; S35-R39 PolarHBondContact O-N 3.41Å
36E86.6Confident81.4Confident85 Ų85108.1 Ų108.140%0.39754%0.536SS..Hα-helixtrans-68.8-41.6179.3-70.3-59.4109.600111.5T32 S38 R39 L40T32-E36 WeakPolarHBondContact O-CB 3.4Å; T32-E36 VanDerWaalsContact O-CG 3.31Å; T32-E36 WeakPolarHBondContact O-CG 3.39Å; T32-E36 PolarHBondContact O-N 2.99Å; E36-S38 VanDerWaalsContact C-N 3.29Å; E36-S38 PolarHBondContact O-N 3.48Å; E36-R39 PolarHBondContact O-N 3.37Å; E36-R39 WeakPolarHBondContact OE1-CD 3.43Å; E36-R39 IonicContact OE1-NH1 3.11Å; E36-R39 PolarHBondContact OE1-NH1 3.31Å; E36-R39 VanDerWaalsContact OE1-NH1 3.11Å; E36-R39 IonicContact OE2-NH1 3.72Å; E36-L40 WeakPolarHBondContact O-CG 3.33Å; E36-L40 PolarHBondContact O-N 3.2Å
37L87Confident82.6Confident97 Ų97103.3 Ų103.351%0.50852%0.522SS..Hα-helixtrans-60.9-39.9172.6-179.860.4000111.7F33 L40 R41F33-L37 WeakPolarHBondContact O-CB 3.38Å; F33-L37 PolarHBondContact O-N 2.84Å; F33-L37 VanDerWaalsContact O-N 3.15Å; L37-L40 PolarHBondContact O-N 3.07Å; L37-R41 HydrophobicContact CD1-CG 4.28Å; L37-R41 WeakPolarHBondContact O-CB 3.46Å; L37-R41 VanDerWaalsContact O-CG 3.3Å; L37-R41 WeakPolarHBondContact O-CG 3.49Å; L37-R41 PolarHBondContact O-N 2.96Å
38S88.6Confident83.6Confident75 Ų75103.9 Ų103.952%0.52453%0.525SS..Hα-helixtrans-62.4-43.3174.6-167.50000111.6T34 S35 E36 R41 E42T34-S38 WeakPolarHBondContact O-CB 3.46Å; T34-S38 PolarHBondContact O-N 3.3Å; S35-S38 WeakPolarHBondContact O-CB 3.04Å; S35-S38 PolarHBondContact O-N 2.93Å; E36-S38 VanDerWaalsContact C-N 3.29Å; E36-S38 PolarHBondContact O-N 3.48Å; S38-R41 PolarHBondContact O-N 3.46Å; S38-E42 WeakPolarHBondContact O-CB 3.18Å; S38-E42 PolarHBondContact O-N 2.84Å
39R89.8Confident84.9Confident159 Ų159100.6 Ų100.660%0.651%0.512SS*.Hα-helixtrans-63.1-44.6176.7-74.1174.693.6-1526.6112.1S35 E36 R41 E42 G43S35-R39 WeakPolarHBondContact O-CG 3.43Å; S35-R39 PolarHBondContact O-N 3.41Å; E36-R39 PolarHBondContact O-N 3.37Å; E36-R39 WeakPolarHBondContact OE1-CD 3.43Å; E36-R39 IonicContact OE1-NH1 3.11Å; E36-R39 PolarHBondContact OE1-NH1 3.31Å; E36-R39 VanDerWaalsContact OE1-NH1 3.11Å; E36-R39 IonicContact OE2-NH1 3.72Å; R39-R41 PolarHBondContact O-N 3.44Å; R39-E42 PolarHBondContact O-N 3.11Å; R39-G43 PolarHBondContact O-N 3.39Å
40L93.8Very high86.1Confident126 Ų126102 Ų10266%0.6651%0.514SS*.Hα-helixtrans-60.7-44.4177.3-71174.4000111.7E36 L37 G43 A44E36-L40 WeakPolarHBondContact O-CG 3.33Å; E36-L40 PolarHBondContact O-N 3.2Å; L37-L40 PolarHBondContact O-N 3.07Å; L40-G43 PolarHBondContact O-N 2.9Å; L40-A44 PolarHBondContact O-N 3.17Å
41R93.6Very high87.2Confident179 Ų179103.2 Ų103.268%0.67552%0.517SS*.Hα-helixtrans-67.3-41178.7-71175.468.51742.2112.2L37 S38 R39 A44 R45L37-R41 HydrophobicContact CD1-CG 4.28Å; L37-R41 WeakPolarHBondContact O-CB 3.46Å; L37-R41 VanDerWaalsContact O-CG 3.3Å; L37-R41 WeakPolarHBondContact O-CG 3.49Å; L37-R41 PolarHBondContact O-N 2.96Å; S38-R41 PolarHBondContact O-N 3.46Å; R39-R41 PolarHBondContact O-N 3.44Å; R41-A44 PolarHBondContact O-N 2.82Å; R41-R45 WeakPolarHBondContact O-CB 3.35Å; R41-R45 PolarHBondContact O-N 3.42Å
42E94.2Very high88.1Confident102 Ų102103.4 Ų103.448%0.47752%0.519SS..Hα-helixtrans-64.1-43.5175.9-171.157-136.700111S38 R39 A44 R45 L46S38-E42 WeakPolarHBondContact O-CB 3.18Å; S38-E42 PolarHBondContact O-N 2.84Å; R39-E42 PolarHBondContact O-N 3.11Å; E42-A44 PolarHBondContact O-N 3.44Å; E42-R45 WeakPolarHBondContact O-CB 3.14Å; E42-R45 PolarHBondContact O-N 3.15Å; E42-L46 WeakPolarHBondContact O-CB 3.16Å; E42-L46 PolarHBondContact O-N 3.42Å
43G93.7Very high89Confident38 Ų38103.9 Ų103.939%0.39252%0.518SS..Hα-helixtrans-57.7-47.5174.500000112.6R39 L40 R45 L46 Q47R39-G43 PolarHBondContact O-N 3.39Å; L40-G43 PolarHBondContact O-N 2.9Å; G43-R45 VanDerWaalsContact C-N 3.34Å; G43-R45 PolarHBondContact O-N 3.5Å; G43-L46 PolarHBondContact O-N 3.44Å; G43-Q47 WeakPolarHBondContact O-CB 3.43Å; G43-Q47 PolarHBondContact O-N 3.03Å
44A94.6Very high89.8Confident38 Ų3899.9 Ų99.931%0.31451%0.507SS..Hα-helixtrans-63.7-38.2176.700000112.7L40 R41 E42 R48L40-A44 PolarHBondContact O-N 3.17Å; R41-A44 PolarHBondContact O-N 2.82Å; E42-A44 PolarHBondContact O-N 3.44Å; A44-R48 WeakPolarHBondContact O-CG 3.33Å; A44-R48 PolarHBondContact O-N 3.23Å; A44-R48 VanDerWaalsContact O-N 3.11Å
45R94.4Very high89.2Confident165 Ų16598.6 Ų98.662%0.62351%0.51SS*.Hα-helixtrans-65.1-46.9176-175.2-174.7-176.6-173.71111.2R41 E42 G43 Q47 R48 L49R41-R45 WeakPolarHBondContact O-CB 3.35Å; R41-R45 PolarHBondContact O-N 3.42Å; E42-R45 WeakPolarHBondContact O-CB 3.14Å; E42-R45 PolarHBondContact O-N 3.15Å; G43-R45 VanDerWaalsContact C-N 3.34Å; G43-R45 PolarHBondContact O-N 3.5Å; R45-Q47 VanDerWaalsContact C-N 3.35Å; R45-R48 PolarHBondContact O-N 2.93Å; R45-L49 PolarHBondContact O-N 3.37Å
46L96.1Very high88.4Confident86 Ų86105.3 Ų105.345%0.4553%0.534SS..Hα-helixtrans-60.9-45177.2-179.961.8000110.9E42 G43 R48 L49 L50E42-L46 WeakPolarHBondContact O-CB 3.16Å; E42-L46 PolarHBondContact O-N 3.42Å; G43-L46 PolarHBondContact O-N 3.44Å; L46-R48 VanDerWaalsContact C-N 3.33Å; L46-R48 PolarHBondContact O-N 2.89Å; L46-L49 WeakPolarHBondContact O-CB 3.34Å; L46-L49 PolarHBondContact O-N 3.47Å; L46-L49 VanDerWaalsContact O-N 3.16Å; L46-L50 HydrophobicContact CD1-CD1 4.38Å; L46-L50 HydrophobicContact CD1-CG 4.28Å; L46-L50 HydrophobicContact CG-CD1 4.13Å; L46-L50 HydrophobicContact CG-CG 4.44Å; L46-L50 WeakPolarHBondContact O-CG 3.36Å; L46-L50 PolarHBondContact O-N 3.06Å
47Q93.2Very high86.9Confident120 Ų120109 Ų10956%0.56154%0.544SS*.Hα-helixtrans-59.8-44178.1-161.3-164.2-26.700111.3G43 R45 L49 L50 Q51G43-Q47 WeakPolarHBondContact O-CB 3.43Å; G43-Q47 PolarHBondContact O-N 3.03Å; R45-Q47 VanDerWaalsContact C-N 3.35Å; Q47-L49 VanDerWaalsContact C-N 3.35Å; Q47-L50 PolarHBondContact O-N 3.42Å; Q47-Q51 WeakPolarHBondContact O-CB 3.3Å; Q47-Q51 VanDerWaalsContact O-CG 3.26Å; Q47-Q51 WeakPolarHBondContact O-CG 3.41Å; Q47-Q51 PolarHBondContact O-N 3.28Å; Q47-Q51 PolarHBondContact O-NE2 3.46Å
48R92.1Very high85.3Confident182 Ų182108.2 Ų108.269%0.68755%0.547SS*.Hα-helixtrans-63.2-40.5175.8-72.8177.3-167.7144.13.2112.3A44 R45 L46 Q51 G52A44-R48 WeakPolarHBondContact O-CG 3.33Å; A44-R48 PolarHBondContact O-N 3.23Å; A44-R48 VanDerWaalsContact O-N 3.11Å; R45-R48 PolarHBondContact O-N 2.93Å; L46-R48 VanDerWaalsContact C-N 3.33Å; L46-R48 PolarHBondContact O-N 2.89Å; R48-Q51 PolarHBondContact O-N 3.31Å; R48-G52 PolarHBondContact O-N 2.86Å
49L92.8Very high83.8Confident97 Ų97114.2 Ų114.251%0.50857%0.567SS.*Hα-helixtrans-62.5-46176.6-179.8144.4000111.1R45 L46 Q47 G52 L53R45-L49 PolarHBondContact O-N 3.37Å; L46-L49 WeakPolarHBondContact O-CB 3.34Å; L46-L49 PolarHBondContact O-N 3.47Å; L46-L49 VanDerWaalsContact O-N 3.16Å; Q47-L49 VanDerWaalsContact C-N 3.35Å; L49-G52 PolarHBondContact O-N 3.5Å; L49-L53 HydrophobicContact CD2-CD1 3.56Å; L49-L53 HydrophobicContact CD2-CG 4.43Å; L49-L53 HydrophobicContact CG-CD1 4.32Å; L49-L53 WeakPolarHBondContact O-CG 3.38Å; L49-L53 PolarHBondContact O-N 2.97Å
50L92.8Very high82Confident89 Ų89114.9 Ų114.947%0.46658%0.576SS.*Hα-helixtrans-63.4-43.5176.7-68.9174.9000111.8L46 Q47 G52 L53 V54L46-L50 HydrophobicContact CD1-CD1 4.38Å; L46-L50 HydrophobicContact CD1-CG 4.28Å; L46-L50 HydrophobicContact CG-CD1 4.13Å; L46-L50 HydrophobicContact CG-CG 4.44Å; L46-L50 WeakPolarHBondContact O-CG 3.36Å; L46-L50 PolarHBondContact O-N 3.06Å; Q47-L50 PolarHBondContact O-N 3.42Å; L50-G52 VanDerWaalsContact C-N 3.32Å; L50-G52 PolarHBondContact O-N 2.92Å; L50-L53 PolarHBondContact O-N 3.36Å; L50-V54 WeakPolarHBondContact O-CB 3.38Å; L50-V54 VanDerWaalsContact O-CG2 3.29Å; L50-V54 WeakPolarHBondContact O-CG2 3.39Å; L50-V54 PolarHBondContact O-N 3.33Å
51Q89.6Confident79.9Confident111 Ų111112.4 Ų112.452%0.51956%0.564SS.*Hα-helixtrans-59.4-42.4175.1-74.316597.600111.8Q47 R48 L53 G55Q47-Q51 WeakPolarHBondContact O-CB 3.3Å; Q47-Q51 VanDerWaalsContact O-CG 3.26Å; Q47-Q51 WeakPolarHBondContact O-CG 3.41Å; Q47-Q51 PolarHBondContact O-N 3.28Å; Q47-Q51 PolarHBondContact O-NE2 3.46Å; R48-Q51 PolarHBondContact O-N 3.31Å; Q51-L53 VanDerWaalsContact C-N 3.35Å; Q51-L53 PolarHBondContact O-N 2.87Å; Q51-G55 PolarHBondContact O-N 2.78Å
52G88.2Confident78Confident47 Ų47107.9 Ų107.949%0.48557%0.565SS.*Hα-helixtrans-65.9-34.3175.900000113.6R48 L49 L50 K56R48-G52 PolarHBondContact O-N 2.86Å; L49-G52 PolarHBondContact O-N 3.5Å; L50-G52 VanDerWaalsContact C-N 3.32Å; L50-G52 PolarHBondContact O-N 2.92Å; G52-K56 PolarHBondContact O-N 3.12Å
53L87.3Confident76.1Confident95 Ų95112.1 Ų112.150%0.49759%0.585SS.*Hα-helixtrans-76.7-42.1176.8-71.7174.9000112.8L49 L50 Q51 K56 R57L49-L53 HydrophobicContact CD2-CD1 3.56Å; L49-L53 HydrophobicContact CD2-CG 4.43Å; L49-L53 HydrophobicContact CG-CD1 4.32Å; L49-L53 WeakPolarHBondContact O-CG 3.38Å; L49-L53 PolarHBondContact O-N 2.97Å; L50-L53 PolarHBondContact O-N 3.36Å; Q51-L53 VanDerWaalsContact C-N 3.35Å; Q51-L53 PolarHBondContact O-N 2.87Å; L53-K56 PolarHBondContact O-N 3.4Å; L53-R57 PolarHBondContact O-N 2.91Å
54V80.1Confident74.2Confident77 Ų77114.2 Ų114.247%0.46759%0.587SS.*Hα-helixtrans-68.7-42.5178.2172.70000110.5L50 K56 R57 S58 W68L50-V54 WeakPolarHBondContact O-CB 3.38Å; L50-V54 VanDerWaalsContact O-CG2 3.29Å; L50-V54 WeakPolarHBondContact O-CG2 3.39Å; L50-V54 PolarHBondContact O-N 3.33Å; V54-K56 PolarHBondContact O-N 3.21Å; V54-R57 PolarHBondContact O-N 3.3Å; V54-S58 PolarHBondContact O-N 2.91Å; V54-W68 HydrophobicContact CG1-CZ3 4.32Å
55G65Low72.1Confident57 Ų57114.1 Ų114.159%0.58858%0.584SS**Hα-helixtrans-61.2-28.7175.100000113.5Q51Q51-G55 PolarHBondContact O-N 2.78Å
56K62.3Low70.2Confident187 Ų187111.5 Ų111.581%0.81359%0.586SS**THydrogen-bonded Turntrans-80.7-9.8174.6-86.5-138.5163.2-163.60115.3G52 L53 V54G52-K56 PolarHBondContact O-N 3.12Å; L53-K56 PolarHBondContact O-N 3.4Å; V54-K56 PolarHBondContact O-N 3.21Å
57R57Low67.8Low161 Ų161110 Ų11061%0.60859%0.587SS**THydrogen-bonded Turntrans-101.8-12.1179-69.9-174.2-175.8-101.42.4114.1L53 V54 E59 Q60 D61L53-R57 PolarHBondContact O-N 2.91Å; V54-R57 PolarHBondContact O-N 3.3Å; R57-E59 PolarHBondContact O-N 3.08Å; R57-Q60 PolarHBondContact O-N 2.9Å; R57-D61 PolarHBondContact O-N 3.28Å
58S53.2Low65.6Low82 Ų82108.6 Ų108.657%0.57358%0.576SS**THydrogen-bonded Turntrans-67.8-19.5-174.3-1730000114.5V54 Q60V54-S58 PolarHBondContact O-N 2.91Å; S58-Q60 VanDerWaalsContact C-N 3.3Å
59E55.4Low63.5Low201 Ų201103.6 Ų103.694%0.93957%0.57SS**THydrogen-bonded Turntrans-81.4-14179.8-149165.2162.100112.5R57R57-E59 PolarHBondContact O-N 3.08Å
60Q52.9Low61.5Low172 Ų172109 Ų10980%0.80458%0.583SS**THydrogen-bonded Turntrans-114.8-21-172-131.5162.911.300115R57 S58R57-Q60 PolarHBondContact O-N 2.9Å; S58-Q60 VanDerWaalsContact C-N 3.3Å
61D49.6Very low59.5Low74 Ų74110.1 Ų110.140%0.39659%0.589SS.*  trans-14365.8-174.2-67.3-52.5000113.5R57 E63 N64 S65R57-D61 PolarHBondContact O-N 3.28Å; D61-E63 PolarHBondContact O-N 3Å; D61-E63 VanDerWaalsContact O-N 3.16Å; D61-N64 HydrophobicContact CB-CB 4.3Å; D61-S65 PolarHBondContact O-OG 3.17Å
62A52.9Low57.6Low85 Ų85106.5 Ų106.570%0.70258%0.581SS**THydrogen-bonded Turntrans-63.2-16.1173.900000113.4
63E55.7Low55.9Low190 Ų190108.2 Ų108.289%0.88859%0.591SS**THydrogen-bonded Turntrans-94.1-23.5-171.1-35-173.6159.800113.4D61D61-E63 PolarHBondContact O-N 3Å; D61-E63 VanDerWaalsContact O-N 3.16Å
64N54Low54Low82 Ų82106.3 Ų106.344%0.43959%0.594SS.*THydrogen-bonded Turntrans-94.8-14.2-175.5-167-25.8000112.3D61 T66 A67 W68D61-N64 HydrophobicContact CB-CB 4.3Å; N64-T66 PolarHBondContact O-N 3.38Å; N64-A67 PolarHBondContact O-N 3.48Å; N64-W68 HydrophobicContact CB-CZ2 4.35Å; N64-W68 PolarHBondContact O-NE1 2.88Å; N64-W68 PolarHBondContact OD1-NE1 3.03Å
65S50.6Low52.7Low36 Ų36109.1 Ų109.125%0.25261%0.606SS.*Hα-helixtrans-58.3-19.9-169.9-68.10000116.2D61 W68 S69D61-S65 PolarHBondContact O-OG 3.17Å; S65-W68 WeakPolarHBondContact OG-CH2 3.31Å; S65-W68 WeakPolarHBondContact OG-CZ2 3.47Å; S65-S69 PolarHBondContact O-OG 3.11Å
66T53.7Low51.7Low110 Ų110113.2 Ų113.268%0.67561%0.614SS**Hα-helixtrans-80.2-24.9178.5-41.50000113.1N64N64-T66 PolarHBondContact O-N 3.38Å
67A45.5Very low50.8Low56 Ų56108.9 Ų108.946%0.46361%0.606SS.*Hα-helixtrans-78.9-44.7-171.900000113.2N64 R70 L71N64-A67 PolarHBondContact O-N 3.48Å; A67-R70 PolarHBondContact O-N 3.15Å; A67-L71 PolarHBondContact O-N 2.9Å
68W46.2Very low50.4Low89 Ų89107.1 Ų107.134%0.33762%0.615SS.*Hα-helixtrans-78.1-25.2179.714-73.6000112.9V54 N64 S65 R70 L71 G72V54-W68 HydrophobicContact CG1-CZ3 4.32Å; N64-W68 HydrophobicContact CB-CZ2 4.35Å; N64-W68 PolarHBondContact O-NE1 2.88Å; N64-W68 PolarHBondContact OD1-NE1 3.03Å; S65-W68 WeakPolarHBondContact OG-CH2 3.31Å; S65-W68 WeakPolarHBondContact OG-CZ2 3.47Å; W68-R70 VanDerWaalsContact C-N 3.3Å; W68-R70 PolarHBondContact O-N 2.96Å; W68-L71 PolarHBondContact O-N 2.95Å; W68-G72 PolarHBondContact O-N 2.64Å
69S49Very low50.4Low78 Ų78108.8 Ų108.855%0.54563%0.627SS.*Hα-helixtrans-63.2-35.8172-610000111.8S65 A73S65-S69 PolarHBondContact O-OG 3.11Å; S69-A73 PolarHBondContact O-N 2.85Å
70R51.3Low49.9Very low210 Ų210101.5 Ų101.579%0.79261%0.606SS**Hα-helixtrans-73.1-35.3172.6-97.1175.684.5158.22.8113.3A67 W68A67-R70 PolarHBondContact O-N 3.15Å; W68-R70 VanDerWaalsContact C-N 3.3Å; W68-R70 PolarHBondContact O-N 2.96Å
71L49.8Very low49.7Very low112 Ų11298.3 Ų98.359%0.58660%0.602SS**Hα-helixtrans-70.6-35.8177.2-86.4150000112.4A67 W68 A73 G74 L75A67-L71 PolarHBondContact O-N 2.9Å; W68-L71 PolarHBondContact O-N 2.95Å; L71-A73 VanDerWaalsContact C-N 3.34Å; L71-A73 PolarHBondContact O-N 3.25Å; L71-G74 PolarHBondContact O-N 3.28Å; L71-L75 HydrophobicContact CD2-CD1 4.27Å; L71-L75 WeakPolarHBondContact O-CB 3.49Å; L71-L75 PolarHBondContact O-N 3.1Å; L71-L75 VanDerWaalsContact O-N 3.07Å
72G49.9Very low49.9Very low35 Ų35101.8 Ų101.836%0.36162%0.621SS.*Hα-helixtrans-66.6-32174.900000113.7W68 G74 L76W68-G72 PolarHBondContact O-N 2.64Å; G72-G74 VanDerWaalsContact C-N 3.32Å; G72-G74 PolarHBondContact O-N 2.77Å; G72-L76 WeakPolarHBondContact O-CG 3.49Å
73A51.6Low49.7Very low84 Ų84103.5 Ų103.569%0.69462%0.623SS**Hα-helixtrans-71.4-25175.900000113.3S69 L71S69-A73 PolarHBondContact O-N 2.85Å; L71-A73 VanDerWaalsContact C-N 3.34Å; L71-A73 PolarHBondContact O-N 3.25Å
74G47.8Very low49.5Very low54 Ų5499.4 Ų99.456%0.55761%0.613SS**Hα-helixtrans-96.8-23179.900000115.3L71 G72L71-G74 PolarHBondContact O-N 3.28Å; G72-G74 VanDerWaalsContact C-N 3.32Å; G72-G74 PolarHBondContact O-N 2.77Å
75L52.7Low49.5Very low136 Ų136100.6 Ų100.671%0.71262%0.623SS**Hα-helixtrans-94-10.2-177.9-85.6158.8000114.4L71 C77L71-L75 HydrophobicContact CD2-CD1 4.27Å; L71-L75 WeakPolarHBondContact O-CB 3.49Å; L71-L75 PolarHBondContact O-N 3.1Å; L71-L75 VanDerWaalsContact O-N 3.07Å; L75-C77 PolarHBondContact O-N 3.02Å; L75-C77 VanDerWaalsContact O-N 3.15Å
76L45.8Very low49.5Very low143 Ų143105 Ų10575%0.74964%0.643SS**  trans-86.164166.6-62.6174.1000109G72 P78G72-L76 WeakPolarHBondContact O-CG 3.49Å; L76-P78 WeakPolarHBondContact O-CD 2.98Å
77C41.4Very low49.4Very low97 Ų97106.2 Ų106.266%0.65564%0.641SS**  trans-63120160.3-66.10000107.4L75 S79L75-C77 PolarHBondContact O-N 3.02Å; L75-C77 VanDerWaalsContact O-N 3.15Å; C77-S79 PolarHBondContact O-N 2.93Å
78P48.8Very low49.5Very low123 Ų123108.2 Ų108.280%0.79966%0.658SS**  trans-74.373152.131.7-23.8000106.1L76 G80L76-P78 WeakPolarHBondContact O-CD 2.98Å; P78-G80 PolarHBondContact O-N 3.32Å
79S53.3Low49.9Very low117 Ų117112.3 Ų112.382%0.81867%0.673SS**  trans-77.783.4163.4-164.50000106.6C77C77-S79 PolarHBondContact O-N 2.93Å
80G45.8Very low49.8Very low48 Ų48112.6 Ų112.650%0.49567%0.667SS.*  trans-168.946.5178.300000106.4P78 D82P78-G80 PolarHBondContact O-N 3.32Å; G80-D82 PolarHBondContact O-N 3.28Å
81S49.1Very low49.6Very low105 Ų105107.4 Ų107.473%0.73466%0.661SS**  trans-70.256.5166.559.60000109.5
82D53Low49.8Very low147 Ų147110.2 Ų110.279%0.78668%0.675SS**  trans-108.874.6154.8-70.3-46.4000104.2G80 P84G80-D82 PolarHBondContact O-N 3.28Å; D82-P84 WeakPolarHBondContact O-CD 3.33Å; D82-P84 VanDerWaalsContact O-N 3.16Å
83T49.5Very low50.1Low121 Ų121112.5 Ų112.574%0.74270%0.699SS**  trans-62.2106.1154.341.30000105.2T85T83-T85 PolarHBondContact O-N 2.95Å
84P51.5Low50.3Low105 Ų105112 Ų11268%0.68270%0.702SS**  trans-62.2116.4163.428.9-31.9000104.1D82 L86D82-P84 WeakPolarHBondContact O-CD 3.33Å; D82-P84 VanDerWaalsContact O-N 3.16Å; P84-L86 PolarHBondContact O-N 2.65Å
85T54.3Low50.6Low106 Ų106114.8 Ų114.865%0.6572%0.72SS**  trans-52.586.4175.2-49.80000108.6T83 Q87 A88T83-T85 PolarHBondContact O-N 2.95Å; T85-Q87 HydrophobicContact CG2-CB 3.76Å; T85-Q87 HydrophobicContact CG2-CG 4.18Å; T85-Q87 PolarHBondContact O-N 3.37Å; T85-A88 PolarHBondContact O-N 2.74Å
86L49.7Very low50.1Low129 Ų129118.4 Ų118.468%0.67572%0.724SS**THydrogen-bonded Turntrans-69.334166.8-75.7176.6000110.1P84 W89P84-L86 PolarHBondContact O-N 2.65Å; L86-W89 VanDerWaalsContact O-CD1 3.24Å; L86-W89 PolarHBondContact O-NE1 3.31Å
87Q52.2Low50.2Low135 Ų135116 Ų11663%0.63172%0.719SS**THydrogen-bonded Turntrans-109.5-10.3171.6-60.2-73.711.500111.1T85 W89 M90T85-Q87 HydrophobicContact CG2-CB 3.76Å; T85-Q87 HydrophobicContact CG2-CG 4.18Å; T85-Q87 PolarHBondContact O-N 3.37Å; Q87-W89 PolarHBondContact O-N 3.35Å; Q87-M90 PolarHBondContact O-N 2.82Å
88A47.8Very low50.9Low98 Ų98115.3 Ų115.381%0.8171%0.713SS**THydrogen-bonded Turntrans-72.1-14.3178.800000114T85T85-A88 PolarHBondContact O-N 2.74Å
89W53.1Low51.2Low175 Ų175121.4 Ų121.466%0.66372%0.721SS**THydrogen-bonded Turntrans-101.3-0.3177.868.7-73.9000113.2L86 Q87 P91L86-W89 VanDerWaalsContact O-CD1 3.24Å; L86-W89 PolarHBondContact O-NE1 3.31Å; Q87-W89 PolarHBondContact O-N 3.35Å; W89-P91 WeakPolarHBondContact O-CD 3.38Å
90M47.4Very low51.2Low85 Ų85122.7 Ų122.742%0.41972%0.718SS.*SBendtrans-88.2114.8169.1-69.7-72.498.400108Q87 L92Q87-M90 PolarHBondContact O-N 2.82Å; M90-L92 PolarHBondContact O-N 3.05Å
91P47.4Very low51.4Low101 Ų101125.7 Ų125.766%0.65673%0.728SS**  trans-68.3109.4169.7-10.226.8000107.2W89 G93W89-P91 WeakPolarHBondContact O-CD 3.38Å; P91-G93 PolarHBondContact O-N 3.35Å
92L53.3Low51.4Low170 Ų170127.1 Ų127.189%0.8974%0.735SS**  trans-53.5131.9164.8-125.571.7000107.6M90M90-L92 PolarHBondContact O-N 3.05Å
93G57.3Low51.2Low84 Ų84122.6 Ų122.687%0.86672%0.723SS**SBendtrans-37.1130.1-16300000116.6P91P91-G93 PolarHBondContact O-N 3.35Å
94G56.2Low51.1Low73 Ų73123.1 Ų123.175%0.75373%0.729SS**SBendtrans145.587.5165.300000113.8
95A53.4Low50.8Low112 Ų112129.1 Ų129.193%0.92674%0.738SS**  trans61.571.8158.500000117.7
96W42.9Very low50.5Low213 Ų213130.5 Ų130.581%0.80775%0.748SS**  trans-120.5120.7149.8161-79.1000108.2P98W96-P98 HydrophobicContact CZ2-CB 4.09Å
97S46.8Very low50.7Low93 Ų93127.9 Ų127.965%0.6575%0.753SS**  trans-136.3116.9167.4-157.60000106.6W99S97-W99 PolarHBondContact O-N 3.14Å; S97-W99 VanDerWaalsContact O-N 3.14Å
98P55.7Low50.2Low81 Ų81127.3 Ų127.353%0.52676%0.758SS.*  trans-78.1104-178.428.6-27.1000108.6W96 L100W96-P98 HydrophobicContact CZ2-CB 4.09Å; P98-L100 PolarHBondContact O-N 3.42Å
99W55.4Low50.2Low252 Ų252130.9 Ų130.996%0.95576%0.76SS**  trans38.377.9160.5-71.983.6000116.1S97S97-W99 PolarHBondContact O-N 3.14Å; S97-W99 VanDerWaalsContact O-N 3.14Å
100L53Low49.7Very low144 Ų144128 Ų12875%0.75476%0.762SS**  trans-101.9133.3150.4-73.3157.8000106.9P98P98-L100 PolarHBondContact O-N 3.42Å
101P50.7Low49.6Very low110 Ų110129.1 Ų129.171%0.71478%0.778SS**  trans-58.4143.6170.126-32000108.6G103P101-G103 PolarHBondContact O-N 2.79Å
102P48.8Very low50Low135 Ų135132.1 Ų132.188%0.87778%0.783SS**  trans-63.597.2-179.424.2-31.3000109.8
103G48.2Very low49.4Very low52 Ų52130 Ų13054%0.53678%0.779SS.*PPolyproline II helixtrans-72.8145.4165.300000109.8P101 R105P101-G103 PolarHBondContact O-N 2.79Å; G103-R105 PolarHBondContact O-N 3.23Å
104P48.2Very low48.8Very low133 Ų133130.1 Ų130.186%0.86477%0.772SS**PPolyproline II helixtrans-61.1124.2-177.925.2-33000110.2
105R44.5Very low47.8Very low230 Ų230130.2 Ų130.287%0.86877%0.773SS**PPolyproline II helixtrans-69.9132.9-178.7-75.3-176.8158.8152.3-3.6110.8G103 G107G103-R105 PolarHBondContact O-N 3.23Å; R105-G107 PolarHBondContact O-N 3.44Å
106P49.7Very low47.1Very low135 Ų135129.6 Ų129.688%0.87777%0.768SS**THydrogen-bonded Turntrans-76.2118.7166.431.9-29.6000107.5
107G52.4Low47.1Very low75 Ų75124.3 Ų124.377%0.77377%0.77SS**THydrogen-bonded Turntrans139.97.4173.100000117.4R105 M109R105-G107 PolarHBondContact O-N 3.44Å; G107-M109 PolarHBondContact O-N 3.29Å
108V41.4Very low47.1Very low123 Ų123124.4 Ų124.475%0.74578%0.776SS**  trans-85.689.5157173.20000107.1V110V108-V110 HydrophobicContact CG1-CB 4.19Å; V108-V110 HydrophobicContact CG1-CG2 3.84Å; V108-V110 PolarHBondContact O-N 3.02Å
109M49.3Very low46.4Very low173 Ų173130 Ų13085%0.85280%0.796SS**  trans-66.590.1151-73.8-126.67500106.3G107 S111G107-M109 PolarHBondContact O-N 3.29Å; M109-S111 PolarHBondContact O-N 3.29Å
110V41.8Very low46Very low115 Ų115121.2 Ų121.270%0.69778%0.783SS**  trans-70.5113156.8134.40000105V108 E112V108-V110 HydrophobicContact CG1-CB 4.19Å; V108-V110 HydrophobicContact CG1-CG2 3.84Å; V108-V110 PolarHBondContact O-N 3.02Å; V110-E112 PolarHBondContact O-N 3.2Å
111S46.3Very low45.7Very low107 Ų107121 Ų12175%0.74879%0.788SS**  trans-56.3118.1168.3-56.60000108.3M109 P113M109-S111 PolarHBondContact O-N 3.29Å; S111-P113 VanDerWaalsContact O-CD 3.24Å; S111-P113 WeakPolarHBondContact O-CD 3.24Å
112E53.9Low45.5Very low165 Ų165122.9 Ų122.977%0.77179%0.791SS**  trans-69.2118.1163.7-178.1-169.8116.800108V110 A114V110-E112 PolarHBondContact O-N 3.2Å; E112-A114 PolarHBondContact O-N 3.31Å
113P42.6Very low45.2Very low124 Ų124127.1 Ų127.181%0.80579%0.789SS**  trans-79.5102.816030.2-28.8000108.1S111S111-P113 VanDerWaalsContact O-CD 3.24Å; S111-P113 WeakPolarHBondContact O-CD 3.24Å
114A43.4Very low45.7Very low87 Ų87129.4 Ų129.472%0.71980%0.795SS**  trans-69129.816400000109.7E112E112-A114 PolarHBondContact O-N 3.31Å
115G36.2Very low45.4Very low75 Ų75138.4 Ų138.477%0.77381%0.812SS**  trans133.7100.2158.600000114.5
116A38.8Very low45.5Very low99 Ų99133.9 Ų133.982%0.81881%0.809SS**  157.3122.794.600000111
117A41.7Very low45.2Very low103 Ų103133.8 Ų133.885%0.85181%0.805SS**  trans7.2122.5141.100000119
118A47.5Very low44.8Very low94 Ų94137.1 Ų137.178%0.77781%0.807SS**  trans-176.3103.1131.200000106.1
119E41Very low45Very low200 Ų200137.9 Ų137.994%0.93581%0.811SS**  62.111788.5-163.9179.5125.600113
120G46.4Very low44.8Very low66 Ų66135.7 Ų135.768%0.6881%0.808SS**  trans109.5116.714500000118.2
121T46.8Very low45Very low141 Ų141137.1 Ų137.187%0.86582%0.815SS**  trans109.487.1136.5-42.10000118.2
122L46.3Very low44.9Very low148 Ų148139.2 Ų139.278%0.77582%0.82SS**  trans2.9137132.6-122.9109.7000118.9
123R42.1Very low44.2Very low225 Ų225137.2 Ų137.285%0.84982%0.824SS**  trans177.2161.8130.9-96.1-33.2-151.6161.28.4111.3
124P59.5Low44.3Very low100 Ų100138.3 Ų138.365%0.64983%0.826SS**  -123.2167.2-128.139.1-23.6000115
125R42.3Very low44.4Very low322 Ų322143 Ų143100%1.21584%0.835SS**  trans-159.90131.3-118.6-177.8176.1144.80.8111.3

Retrieved 125 of 125 residues in 22.9 ms (Link to these results)