A0A096N4T4_PAPAN Loading...

LIM and senescent cell antigen-like-containing domain protein

Within the IPP (ILK-PINCH-PARVIN) complex, binds to F-actin, promoting F-actin bundling, a process required to generate force for actin cytoskeleton reorganization and subsequent dynamic cell adhesion events such as cell spreading and migration.

AlphaFold DB (A0A0D9RWT0), UniProt , Accession A0A096N4T4, Species PAPAN (Papio anubis, Olive baboon), Gene n/a, Length 337 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M49.9Very low50.2Low202 Ų202100.8 Ų100.8100%0.99561%0.613SS**  0141.50-62.7-164.7-160.500107.5
2L47.6Very low50.2Low108 Ų108105.8 Ų105.857%0.56563%0.633SS**EExtended strand (participates in β ladder)trans-80.4123.9176.7-159.885.5000108.3L61 Y63L2-L61 HydrophobicContact CD2-CD2 4.19Å; L2-Y63 HydrophobicContact CD1-CD1 4.32Å; L2-Y63 HydrophobicContact CD1-CD2 4.44Å; L2-Y63 HydrophobicContact CD1-CE1 3.62Å; L2-Y63 HydrophobicContact CD1-CE2 3.73Å; L2-Y63 WeakPolarHBondContact CD1-OH 3.46Å
3G58.9Low50.1Low13 Ų13108.2 Ų108.213%0.13464%0.636CS.*EExtended strand (participates in β ladder)trans-111.2147.2176.500000111.4F62G3-F62 PolarHBondContact N-O 3.5Å; G3-F62 VanDerWaalsContact N-O 3.1Å; G3-F62 PolarHBondContact O-N 3.38Å
4V58.9Low50.1Low109 Ų109107.4 Ų107.466%0.66165%0.648SS**EExtended strand (participates in β ladder)trans-121121.5173.6-171.60000108.1L61V4-L61 HydrophobicContact CG2-CD2 4.06Å
5A57.6Low50.2Low18 Ų18110.5 Ų110.515%0.14966%0.66CS.*PPolyproline II helixtrans-83.413117600000110.8V36 F48 G60 F62A5-V36 HydrophobicContact CB-CG1 3.86Å; A5-F48 HydrophobicContact CB-CE1 3.62Å; A5-F48 HydrophobicContact CB-CZ 3.81Å; A5-G60 PolarHBondContact N-O 3.1Å; A5-G60 VanDerWaalsContact N-O 3.13Å; A5-F62 HydrophobicContact CB-CE1 4.27Å
6A51.3Low50.3Low64 Ų64107 Ų10753%0.52965%0.647SS.*EExtended strand (participates in β ladder)trans-97.1126.6176.800000110.7
7G49.8Very low50.8Low73 Ų73104.2 Ų104.275%0.75363%0.627SS**EExtended strand (participates in β ladder)trans-77.5119.6168.200000110.1
8M44.9Very low51.2Low140 Ų140103.7 Ų103.769%0.6964%0.636SS**PPolyproline II helixtrans-93.1121.9175.2-64.6179.111100109.5N37M8-N37 HydrophobicContact SD-CB 4.43Å
9T45.3Very low51.9Low143 Ų143103.8 Ų103.888%0.87764%0.641SS**PPolyproline II helixtrans-98.3137167.1500000110.3
10H47.9Very low53.2Low121 Ų12199.4 Ų99.456%0.5662%0.615SS**PPolyproline II helixtrans-54.6132-162.3-94.8-105.4000115.9P31H10-P31 PolarHBondContact CE1-O 3.04Å
11S40.1Very low54.8Low118 Ų11898 Ų9883%0.82561%0.607SS**  trans-160.9123.9136.1-78.30000111
12N50.1Low56.5Low161 Ų16188.4 Ų88.486%0.86156%0.56SS**SBendtrans6584.9170.5-78.2-15000119.9
13M49.1Very low58.2Low136 Ų13687.1 Ų87.167%0.6755%0.551SS**  trans-161.948.5155.3-114.5178.9-158.700114.5N15 A16 L17M13-N15 PolarHBondContact O-N 2.95Å; M13-A16 HydrophobicContact CB-CB 4.32Å; M13-A16 HydrophobicContact CG-CB 3.88Å; M13-A16 PolarHBondContact O-N 2.99Å; M13-A16 HydrophobicContact SD-CB 3.91Å; M13-L17 HydrophobicContact CB-CD1 4.5Å
14A49.4Very low59.4Low97 Ų9791.6 Ų91.680%0.80256%0.563SS**THydrogen-bonded Turntrans-62.3-14.5-174.500000116
15N51.6Low60.7Low155 Ų15589.5 Ų89.583%0.82955%0.553SS**THydrogen-bonded Turntrans-104.5-15177.6-90.510000115.3M13M13-N15 PolarHBondContact O-N 2.95Å
16A52.7Low62.1Low54 Ų5494.4 Ų94.445%0.44657%0.571SS.*THydrogen-bonded Turntrans-88-21.2-178.500000113M13M13-A16 HydrophobicContact CB-CB 4.32Å; M13-A16 HydrophobicContact CG-CB 3.88Å; M13-A16 PolarHBondContact O-N 2.99Å; M13-A16 HydrophobicContact SD-CB 3.91Å
17L58.5Low63.6Low59 Ų5992.7 Ų92.731%0.30956%0.559SS.*SBendtrans-83.9-14.2-179.3-81.4142.5000114M13 S19 A20 I35M13-L17 HydrophobicContact CB-CD1 4.5Å; L17-S19 VanDerWaalsContact C-N 3.29Å; L17-S19 PolarHBondContact O-N 3.41Å; L17-A20 PolarHBondContact O-N 3.24Å; L17-I35 HydrophobicContact CD2-CD1 3.2Å
18A58.2Low65.3Low96 Ų9691.7 Ų91.779%0.79355%0.55SS*.THydrogen-bonded Turntrans-69.7-22.9-175.900000114
19S64.9Low67.1Low105 Ų10586.3 Ų86.373%0.73452%0.522SS*.THydrogen-bonded Turntrans-1145.2176.560.30000113.3L17L17-S19 VanDerWaalsContact C-N 3.29Å; L17-S19 PolarHBondContact O-N 3.41Å
20A77.5Confident68.7Low15 Ų1582.1 Ų82.112%0.12450%0.503CS..  trans-78.3126.2178.300000109.8L17 F29 L42L17-A20 PolarHBondContact O-N 3.24Å; A20-F29 HydrophobicContact CB-CD2 3.95Å; A20-F29 HydrophobicContact CB-CE2 4.24Å; A20-F29 WeakPolarHBondContact O-CD2 3.48Å; A20-L42 HydrophobicContact CB-CD1 3.67Å
21T86.4Confident69.8Low72 Ų7282.4 Ų82.444%0.44252%0.515SS..BIsolated β-bridgetrans-116.7142.9175.6550000110.2E23 G27T21-E23 PolarHBondContact O-N 3.13Å; T21-G27 CarbonylContact C-O 3.59Å; T21-G27 WeakPolarHBondContact CA-O 3.33Å
22C85.5Confident71.4Confident0 Ų081.3 Ų81.30%051%0.513CS..  trans-63.8129.1173.8170.50000110.4R24 C25 K26 G27 F29 L42 H44C22-R24 PolarHBondContact O-N 3.41Å; C22-C25 VanDerWaalsContact CB-SG 3.53Å; C22-C25 VanDerWaalsContact SG-SG 3.63Å; C22-K26 WeakPolarHBondContact O-CA 3.12Å; C22-K26 PolarHBondContact O-N 3.12Å; C22-G27 PolarHBondContact N-O 3.44Å; C22-F29 HydrophobicContact CB-CE1 4.11Å; C22-F29 HydrophobicContact CB-CE2 4.33Å; C22-F29 HydrophobicContact CB-CZ 3.68Å; C22-L42 CarbonylContact C-O 3.55Å; C22-L42 WeakPolarHBondContact CA-O 3.44Å; C22-H44 VanDerWaalsContact CB-CE1 3.46Å; C22-H44 WeakPolarHBondContact CB-CE1 2.92Å; C22-H44 WeakPolarHBondContact CB-ND1 2.87Å
23E84.5Confident72.6Confident80 Ų8077 Ų7737%0.37449%0.488SS..THydrogen-bonded Turntrans-65.6-29.8-174.2-17652.5-142.400112.7T21 K26 E41 L42 Y43T21-E23 PolarHBondContact O-N 3.13Å; E23-K26 WeakPolarHBondContact O-CE 3.43Å; E23-K26 PolarHBondContact O-NZ 3.21Å; E23-K26 IonicContact OE1-NZ 2.69Å; E23-K26 PolarHBondContact OE1-NZ 3.17Å; E23-K26 IonicContact OE2-NZ 2.81Å; E23-K26 PolarHBondContact OE2-NZ 3.47Å; E23-E41 HydrophobicContact CB-CB 4.48Å; E23-L42 PolarHBondContact N-O 2.89Å; E23-Y43 HydrophobicContact CB-CD1 4.27Å; E23-Y43 HydrophobicContact CB-CE1 3.65Å; E23-Y43 HydrophobicContact CG-CE1 4.25Å
24R83.4Confident74Confident107 Ų10777.6 Ų77.640%0.40449%0.487SS..THydrogen-bonded Turntrans-79-54178.5-173.7178.6-173.6138.11.2114.9C22 Y43 C47 V49 F54C22-R24 PolarHBondContact O-N 3.41Å; R24-Y43 HydrophobicContact CB-CD1 4.08Å; R24-Y43 HydrophobicContact CB-CE1 4.18Å; R24-C47 HydrophobicContact CB-CB 4.09Å; R24-C47 WeakPolarHBondContact CD-O 3.44Å; R24-C47 PolarHBondContact NH1-O 2.73Å; R24-V49 VanDerWaalsContact CZ-CG2 3.46Å; R24-V49 PolarHBondContact NH1-O 3.02Å; R24-F54 VanDerWaalsContact NH2-CD1 3.32Å
25C86.2Confident75.6Confident66 Ų6674.5 Ų74.545%0.44646%0.456SS..THydrogen-bonded Turntrans-98.9-7.4-173.4720000113.6C22 G27 H44C22-C25 VanDerWaalsContact CB-SG 3.53Å; C22-C25 VanDerWaalsContact SG-SG 3.63Å; C25-G27 PolarHBondContact O-N 3.02Å; C25-G27 PolarHBondContact SG-N 3.34Å; C25-G27 VanDerWaalsContact SG-N 3.43Å; C25-H44 PolarHBondContact SG-CE1 2.93Å; C25-H44 PolarHBondContact SG-ND1 2.99Å
26K85.9Confident77.1Confident120 Ų12068.2 Ų68.252%0.52242%0.423SS..  trans58.211.6-176-53.6-61179.4179.60114.8C22 E23C22-K26 WeakPolarHBondContact O-CA 3.12Å; C22-K26 PolarHBondContact O-N 3.12Å; E23-K26 WeakPolarHBondContact O-CE 3.43Å; E23-K26 PolarHBondContact O-NZ 3.21Å; E23-K26 IonicContact OE1-NZ 2.69Å; E23-K26 PolarHBondContact OE1-NZ 3.17Å; E23-K26 IonicContact OE2-NZ 2.81Å; E23-K26 PolarHBondContact OE2-NZ 3.47Å
27G84.3Confident78.6Confident28 Ų2868.1 Ų68.129%0.28942%0.415SS..  trans-79.2155.7172.600000112.6T21 C22 C25T21-G27 CarbonylContact C-O 3.59Å; T21-G27 WeakPolarHBondContact CA-O 3.33Å; C22-G27 PolarHBondContact N-O 3.44Å; C25-G27 PolarHBondContact O-N 3.02Å; C25-G27 PolarHBondContact SG-N 3.34Å; C25-G27 VanDerWaalsContact SG-N 3.43Å
28G84.3Confident79.6Confident53 Ų5365.5 Ų65.555%0.54640%0.402SS..BIsolated β-bridgetrans-73.1171.2172.700000113.1H44G28-H44 PolarHBondContact O-NE2 3.39Å
29F82.9Confident80.5Confident26 Ų2667.2 Ų67.211%0.11440%0.398CS..  trans-104.7137.8176.8-63.7-78.7000111.4A20 C22 I35 L42 H44A20-F29 HydrophobicContact CB-CD2 3.95Å; A20-F29 HydrophobicContact CB-CE2 4.24Å; A20-F29 WeakPolarHBondContact O-CD2 3.48Å; C22-F29 HydrophobicContact CB-CE1 4.11Å; C22-F29 HydrophobicContact CB-CE2 4.33Å; C22-F29 HydrophobicContact CB-CZ 3.68Å; F29-I35 HydrophobicContact CB-CD1 3.85Å; F29-I35 HydrophobicContact CB-CG1 4.44Å; F29-I35 HydrophobicContact CD1-CD1 3.82Å; F29-I35 HydrophobicContact CD1-CG1 3.63Å; F29-I35 HydrophobicContact CD1-CG2 4.36Å; F29-I35 HydrophobicContact CD2-CD1 4.25Å; F29-I35 HydrophobicContact CE1-CD1 4.42Å; F29-I35 HydrophobicContact CE1-CG1 4.03Å; F29-I35 HydrophobicContact CE1-CG2 3.92Å; F29-I35 HydrophobicContact CG-CD1 3.71Å; F29-I35 HydrophobicContact CG-CG1 4.08Å; F29-I35 HydrophobicContact CZ-CG2 4.07Å; F29-L42 HydrophobicContact CE2-CB 3.72Å; F29-L42 HydrophobicContact CE2-CD1 4.32Å; F29-L42 HydrophobicContact CZ-CB 3.7Å; F29-H44 AromaticContact CD1-CD2 3.47Å; F29-H44 VanDerWaalsContact CD1-CD2 3.47Å; F29-H44 WeakPolarHBondContact CD1-CD2 3.43Å; F29-H44 AromaticContact CD1-NE2 3.56Å; F29-H44 AromaticContact CE1-CD2 3.5Å; F29-H44 AromaticContact CE1-CG 3.96Å; F29-H44 AromaticContact CE1-NE2 3.74Å
30A79.9Confident81Confident56 Ų5665.2 Ų65.246%0.46339%0.394SS..  trans-77.5151.7172.800000111.5A32 E33A30-A32 PolarHBondContact O-N 2.75Å; A30-E33 HydrophobicContact CB-CB 4.18Å; A30-E33 PolarHBondContact N-OE2 3.1Å; A30-E33 WeakPolarHBondContact O-CB 3.33Å; A30-E33 PolarHBondContact O-N 3.16Å
31P70.5Confident81.3Confident126 Ų12668 Ų6882%0.81840%0.404SS*.THydrogen-bonded Turntrans-60.4-16.5-171.2-26.735000117.1H10H10-P31 PolarHBondContact CE1-O 3.04Å
32A72.9Confident81.2Confident95 Ų9566.9 Ų66.979%0.78540%0.396SS*.THydrogen-bonded Turntrans-121.712-179.400000112.7A30A30-A32 PolarHBondContact O-N 2.75Å
33E77Confident81.2Confident72 Ų7268 Ų6834%0.33640%0.4SS..  trans-80.8142.8-178.2-166.9170.7-16800111.1A30 I35 H44A30-E33 HydrophobicContact CB-CB 4.18Å; A30-E33 PolarHBondContact N-OE2 3.1Å; A30-E33 WeakPolarHBondContact O-CB 3.33Å; A30-E33 PolarHBondContact O-N 3.16Å; E33-I35 PolarHBondContact O-N 3.46Å; E33-H44 IonicContact OE1-CD2 3.15Å; E33-H44 PolarHBondContact OE1-CD2 3.27Å; E33-H44 IonicContact OE1-NE2 3.84Å; E33-H44 IonicContact OE2-CD2 3.59Å; E33-H44 IonicContact OE2-NE2 3.73Å
34K77.9Confident81.3Confident148 Ų14865.2 Ų65.264%0.64339%0.387SS*.  trans-75.4125.7175.3-67.9-178.8-178.1176.60109.8E45K34-E45 WeakPolarHBondContact CD-OE2 3.49Å
35I83.1Confident81.2Confident31 Ų3164.4 Ų64.416%0.15939%0.388CS..EExtended strand (participates in β ladder)trans-113.6133.8-177.1-55.1173.1000108.9L17 F29 E33 L42L17-I35 HydrophobicContact CD2-CD1 3.2Å; F29-I35 HydrophobicContact CB-CD1 3.85Å; F29-I35 HydrophobicContact CB-CG1 4.44Å; F29-I35 HydrophobicContact CD1-CD1 3.82Å; F29-I35 HydrophobicContact CD1-CG1 3.63Å; F29-I35 HydrophobicContact CD1-CG2 4.36Å; F29-I35 HydrophobicContact CD2-CD1 4.25Å; F29-I35 HydrophobicContact CE1-CD1 4.42Å; F29-I35 HydrophobicContact CE1-CG1 4.03Å; F29-I35 HydrophobicContact CE1-CG2 3.92Å; F29-I35 HydrophobicContact CG-CD1 3.71Å; F29-I35 HydrophobicContact CG-CG1 4.08Å; F29-I35 HydrophobicContact CZ-CG2 4.07Å; E33-I35 PolarHBondContact O-N 3.46Å; I35-L42 HydrophobicContact CG2-CB 4.13Å; I35-L42 HydrophobicContact CG2-CD2 3.99Å
36V83.3Confident81Confident23 Ų2369.1 Ų69.114%0.13940%0.403CS..EExtended strand (participates in β ladder)trans-97.5122.2173.2-176.50000108.4A5 Y43 E45 F48A5-V36 HydrophobicContact CB-CG1 3.86Å; V36-Y43 PolarHBondContact N-O 3.49Å; V36-Y43 PolarHBondContact O-N 2.99Å; V36-E45 HydrophobicContact CG2-CB 4.41Å; V36-F48 HydrophobicContact CB-CB 4.12Å; V36-F48 HydrophobicContact CB-CD1 4.46Å; V36-F48 HydrophobicContact CB-CG 4.18Å; V36-F48 HydrophobicContact CG1-CB 4.19Å; V36-F48 HydrophobicContact CG1-CD1 3.66Å; V36-F48 HydrophobicContact CG1-CD2 4.08Å; V36-F48 HydrophobicContact CG1-CE1 4Å; V36-F48 HydrophobicContact CG1-CE2 4.4Å; V36-F48 HydrophobicContact CG1-CG 3.7Å; V36-F48 HydrophobicContact CG1-CZ 4.36Å; V36-F48 HydrophobicContact CG2-CB 4.24Å
37N82.7Confident81Confident53 Ų5364.4 Ų64.428%0.28339%0.385SS..EExtended strand (participates in β ladder)trans-101.4123.3172.9-173-27.3000109.2M8 G40 E41 L42M8-N37 HydrophobicContact SD-CB 4.43Å; N37-G40 PolarHBondContact OD1-N 3.48Å; N37-G40 VanDerWaalsContact OD1-N 3.1Å; N37-E41 WeakPolarHBondContact CA-O 3.5Å; N37-L42 HydrophobicContact CB-CD2 4.13Å
38S81.1Confident81.2Confident3 Ų363.8 Ų63.82%0.02137%0.374CS..EExtended strand (participates in β ladder)trans-128.9111.7174.8173.50000108.6G40 E41 F62 K69S38-G40 PolarHBondContact O-N 3.34Å; S38-G40 VanDerWaalsContact O-N 3.14Å; S38-E41 PolarHBondContact N-O 3.49Å; S38-E41 WeakPolarHBondContact O-CB 3.47Å; S38-E41 PolarHBondContact O-N 3.38Å; S38-F62 VanDerWaalsContact OG-CZ 3.3Å; S38-F62 WeakPolarHBondContact OG-CZ 3.28Å; S38-K69 VanDerWaalsContact OG-CE 3.32Å; S38-K69 WeakPolarHBondContact OG-CE 3.3Å
39N75.6Confident81.4Confident132 Ų13262 Ų6271%0.70635%0.353SS*.THydrogen-bonded Turntrans52.731.5178.1-63.2-22.4000114.9
40G76.6Confident81.7Confident64 Ų6460.7 Ų60.766%0.6635%0.347SS*.THydrogen-bonded Turntrans90.8-3.8-179.800000114.7N37 S38N37-G40 PolarHBondContact OD1-N 3.48Å; N37-G40 VanDerWaalsContact OD1-N 3.1Å; S38-G40 PolarHBondContact O-N 3.34Å; S38-G40 VanDerWaalsContact O-N 3.14Å
41E83.5Confident82Confident73 Ų7359.5 Ų59.534%0.34134%0.337SS..EExtended strand (participates in β ladder)trans-93.1137.2171.6-59.1177.6133.500110.2E23 N37 S38 Y43 K69E23-E41 HydrophobicContact CB-CB 4.48Å; N37-E41 WeakPolarHBondContact CA-O 3.5Å; S38-E41 PolarHBondContact N-O 3.49Å; S38-E41 WeakPolarHBondContact O-CB 3.47Å; S38-E41 PolarHBondContact O-N 3.38Å; E41-Y43 HydrophobicContact CB-CD2 4.36Å; E41-Y43 HydrophobicContact CB-CE2 3.54Å; E41-Y43 PolarHBondContact OE2-OH 3.27Å; E41-K69 IonicContact OE2-NZ 2.82Å; E41-K69 PolarHBondContact OE2-NZ 3.15Å
42L84.4Confident82.8Confident49 Ų4958.5 Ų58.526%0.25732%0.321SS..EExtended strand (participates in β ladder)trans-101.9133.6-178.6-58.9176.8000110.5A20 C22 E23 F29 I35 N37A20-L42 HydrophobicContact CB-CD1 3.67Å; C22-L42 CarbonylContact C-O 3.55Å; C22-L42 WeakPolarHBondContact CA-O 3.44Å; E23-L42 PolarHBondContact N-O 2.89Å; F29-L42 HydrophobicContact CE2-CB 3.72Å; F29-L42 HydrophobicContact CE2-CD1 4.32Å; F29-L42 HydrophobicContact CZ-CB 3.7Å; I35-L42 HydrophobicContact CG2-CB 4.13Å; I35-L42 HydrophobicContact CG2-CD2 3.99Å; N37-L42 HydrophobicContact CB-CD2 4.13Å
43Y85.6Confident83.6Confident22 Ų2256 Ų569%0.08630%0.298CS..EExtended strand (participates in β ladder)trans-133.5147.2179.2-62.4-85.4000111.3E23 R24 V36 E41 F48 K69E23-Y43 HydrophobicContact CB-CD1 4.27Å; E23-Y43 HydrophobicContact CB-CE1 3.65Å; E23-Y43 HydrophobicContact CG-CE1 4.25Å; R24-Y43 HydrophobicContact CB-CD1 4.08Å; R24-Y43 HydrophobicContact CB-CE1 4.18Å; V36-Y43 PolarHBondContact N-O 3.49Å; V36-Y43 PolarHBondContact O-N 2.99Å; E41-Y43 HydrophobicContact CB-CD2 4.36Å; E41-Y43 HydrophobicContact CB-CE2 3.54Å; E41-Y43 PolarHBondContact OE2-OH 3.27Å; Y43-F48 AromaticContact CD2-CD2 3.71Å; Y43-F48 HydrophobicContact CD2-CD2 3.71Å; Y43-F48 HydrophobicContact CD2-CE2 4.23Å; Y43-F48 HydrophobicContact CE2-CD2 4.23Å; Y43-F48 HydrophobicContact CE2-CE2 4.41Å; Y43-F48 HydrophobicContact CG-CB 4.49Å; Y43-F48 AromaticContact CG-CD2 3.94Å; Y43-F48 HydrophobicContact CG-CD2 3.94Å; Y43-K69 PolarHBondContact OH-NZ 2.86Å
44H85.6Confident84.1Confident22 Ų2259.1 Ų59.110%0.10231%0.31CS..EExtended strand (participates in β ladder)trans-63.7149161.5-57.4111.9000109.4C22 C25 G28 F29 E33 Q46 C47 F48C22-H44 VanDerWaalsContact CB-CE1 3.46Å; C22-H44 WeakPolarHBondContact CB-CE1 2.92Å; C22-H44 WeakPolarHBondContact CB-ND1 2.87Å; C25-H44 PolarHBondContact SG-CE1 2.93Å; C25-H44 PolarHBondContact SG-ND1 2.99Å; G28-H44 PolarHBondContact O-NE2 3.39Å; F29-H44 AromaticContact CD1-CD2 3.47Å; F29-H44 VanDerWaalsContact CD1-CD2 3.47Å; F29-H44 WeakPolarHBondContact CD1-CD2 3.43Å; F29-H44 AromaticContact CD1-NE2 3.56Å; F29-H44 AromaticContact CE1-CD2 3.5Å; F29-H44 AromaticContact CE1-CG 3.96Å; F29-H44 AromaticContact CE1-NE2 3.74Å; E33-H44 IonicContact OE1-CD2 3.15Å; E33-H44 PolarHBondContact OE1-CD2 3.27Å; E33-H44 IonicContact OE1-NE2 3.84Å; E33-H44 IonicContact OE2-CD2 3.59Å; E33-H44 IonicContact OE2-NE2 3.73Å; H44-Q46 PolarHBondContact O-N 3.12Å; H44-Q46 VanDerWaalsContact O-N 3.14Å; H44-C47 HydrophobicContact CB-CB 3.86Å; H44-C47 CarbonylContact O-C 3.43Å; H44-C47 WeakPolarHBondContact O-CA 3.45Å; H44-C47 PolarHBondContact O-N 3.24Å; H44-F48 PolarHBondContact O-N 3Å
45E81.5Confident84.6Confident90 Ų9058.4 Ų58.442%0.42131%0.309SS..THydrogen-bonded Turntrans-54.5-33.9175.3-171.9174-164.200112.3K34 V36 Q56K34-E45 WeakPolarHBondContact CD-OE2 3.49Å; V36-E45 HydrophobicContact CG2-CB 4.41Å; E45-Q56 PolarHBondContact O-NE2 3.06Å
46Q82.1Confident84.7Confident165 Ų16562 Ų6277%0.77133%0.326SS*.THydrogen-bonded Turntrans-82.7-18.8175.6-60.3177.714.400113.6H44 V49H44-Q46 PolarHBondContact O-N 3.12Å; H44-Q46 VanDerWaalsContact O-N 3.14Å; Q46-V49 WeakPolarHBondContact O-CG1 3.44Å
47C85.6Confident84.8Confident22 Ų2261.7 Ų61.715%0.14932%0.323CS..THydrogen-bonded Turntrans-89-22.3176.8-75.60000112.3R24 H44 V49R24-C47 HydrophobicContact CB-CB 4.09Å; R24-C47 WeakPolarHBondContact CD-O 3.44Å; R24-C47 PolarHBondContact NH1-O 2.73Å; H44-C47 HydrophobicContact CB-CB 3.86Å; H44-C47 CarbonylContact O-C 3.43Å; H44-C47 WeakPolarHBondContact O-CA 3.45Å; H44-C47 PolarHBondContact O-N 3.24Å; C47-V49 PolarHBondContact O-N 3.08Å
48F88.4Confident84.5Confident14 Ų1463.7 Ų63.76%0.06134%0.338CS..SBendtrans-80.872.8175.3-165.3-108.3000110.9A5 V36 Y43 H44 F57 F62 K69A5-F48 HydrophobicContact CB-CE1 3.62Å; A5-F48 HydrophobicContact CB-CZ 3.81Å; V36-F48 HydrophobicContact CB-CB 4.12Å; V36-F48 HydrophobicContact CB-CD1 4.46Å; V36-F48 HydrophobicContact CB-CG 4.18Å; V36-F48 HydrophobicContact CG1-CB 4.19Å; V36-F48 HydrophobicContact CG1-CD1 3.66Å; V36-F48 HydrophobicContact CG1-CD2 4.08Å; V36-F48 HydrophobicContact CG1-CE1 4Å; V36-F48 HydrophobicContact CG1-CE2 4.4Å; V36-F48 HydrophobicContact CG1-CG 3.7Å; V36-F48 HydrophobicContact CG1-CZ 4.36Å; V36-F48 HydrophobicContact CG2-CB 4.24Å; Y43-F48 AromaticContact CD2-CD2 3.71Å; Y43-F48 HydrophobicContact CD2-CD2 3.71Å; Y43-F48 HydrophobicContact CD2-CE2 4.23Å; Y43-F48 HydrophobicContact CE2-CD2 4.23Å; Y43-F48 HydrophobicContact CE2-CE2 4.41Å; Y43-F48 HydrophobicContact CG-CB 4.49Å; Y43-F48 AromaticContact CG-CD2 3.94Å; Y43-F48 HydrophobicContact CG-CD2 3.94Å; H44-F48 PolarHBondContact O-N 3Å; F48-F57 AromaticContact CD1-CD2 3.46Å; F48-F57 HydrophobicContact CD1-CD2 3.46Å; F48-F57 VanDerWaalsContact CD1-CD2 3.46Å; F48-F57 AromaticContact CD1-CE2 3.86Å; F48-F57 HydrophobicContact CD1-CE2 3.86Å; F48-F57 HydrophobicContact CD2-CE2 4.39Å; F48-F57 AromaticContact CE1-CD2 3.27Å; F48-F57 HydrophobicContact CE1-CD2 3.27Å; F48-F57 AromaticContact CE1-CE2 3.72Å; F48-F57 HydrophobicContact CE1-CE2 3.72Å; F48-F57 HydrophobicContact CE1-CG 4.22Å; F48-F57 HydrophobicContact CE2-CE2 4.27Å; F48-F57 HydrophobicContact CG-CD2 4.23Å; F48-F57 HydrophobicContact CG-CE2 4.19Å; F48-F57 AromaticContact CZ-CD2 3.91Å; F48-F57 HydrophobicContact CZ-CD2 3.91Å; F48-F57 AromaticContact CZ-CE2 3.93Å; F48-F57 HydrophobicContact CZ-CE2 3.93Å; F48-F62 HydrophobicContact CE1-CD1 4.3Å; F48-F62 AromaticContact CZ-CD1 3.78Å; F48-F62 HydrophobicContact CZ-CD1 3.78Å; F48-F62 AromaticContact CZ-CE1 3.75Å; F48-F62 HydrophobicContact CZ-CE1 3.75Å; F48-F62 HydrophobicContact CZ-CG 4.41Å; F48-F62 HydrophobicContact CZ-CZ 4.35Å; F48-K69 HydrophobicContact CD2-CD 4.49Å; F48-K69 HydrophobicContact CE2-CD 3.67Å; F48-K69 HydrophobicContact CZ-CD 4.33Å
49V88.9Confident84.2Confident15 Ų1572 Ų729%0.09138%0.377CS..BIsolated β-bridgetrans-131.2157.4-178.1-57.40000111.4R24 Q46 C47 A51 F54 Q55 Q56R24-V49 VanDerWaalsContact CZ-CG2 3.46Å; R24-V49 PolarHBondContact NH1-O 3.02Å; Q46-V49 WeakPolarHBondContact O-CG1 3.44Å; C47-V49 PolarHBondContact O-N 3.08Å; V49-A51 PolarHBondContact O-N 3.31Å; V49-F54 VanDerWaalsContact CB-O 3.32Å; V49-F54 WeakPolarHBondContact CB-O 3.39Å; V49-F54 HydrophobicContact CG2-CB 4.25Å; V49-F54 WeakPolarHBondContact CG2-O 3.24Å; V49-Q55 CarbonylContact C-O 3.58Å; V49-Q55 WeakPolarHBondContact CA-O 3.27Å; V49-Q55 WeakPolarHBondContact CB-O 3.49Å; V49-Q56 HydrophobicContact CG1-CB 4.5Å; V49-Q56 HydrophobicContact CG1-CG 3.76Å
50C88.8Confident84.2Confident0 Ų066.5 Ų66.50%035%0.351CS..  trans-50.8137.7176.8-177.10000111.9Q52 C53 F54 Q55 F57 C71 D74C50-Q52 PolarHBondContact O-N 2.91Å; C50-Q52 PolarHBondContact SG-N 2.93Å; C50-Q52 VanDerWaalsContact SG-N 3.43Å; C50-C53 WeakPolarHBondContact CB-SG 3.23Å; C50-F54 VanDerWaalsContact O-CA 3.25Å; C50-F54 WeakPolarHBondContact O-CA 3.44Å; C50-F54 PolarHBondContact O-N 3.28Å; C50-F54 VanDerWaalsContact O-N 3.14Å; C50-Q55 PolarHBondContact N-O 3.38Å; C50-F57 HydrophobicContact CB-CE1 4.08Å; C50-F57 HydrophobicContact CB-CZ 4.39Å; C50-C71 HydrophobicContact CB-CB 4.26Å; C50-C71 PolarHBondContact SG-N 3.18Å; C50-D74 PolarHBondContact SG-OD2 3.09Å
51A87.9Confident84.4Confident30 Ų3066.4 Ų66.425%0.24834%0.335CS..THydrogen-bonded Turntrans-65.6-20178.200000113.8V49 R68 K69 Y70V49-A51 PolarHBondContact O-N 3.31Å; A51-R68 HydrophobicContact CB-CB 4.17Å; A51-K69 WeakPolarHBondContact CB-O 3.27Å; A51-K69 PolarHBondContact N-O 2.91Å; A51-Y70 HydrophobicContact CB-CD1 4.4Å; A51-Y70 HydrophobicContact CB-CE1 4.1Å
52Q87.1Confident84.5Confident105 Ų10563.1 Ų63.149%0.49132%0.319SS..THydrogen-bonded Turntrans-104.9-60.7-175.2-177.268.58.700112.4C50 Y70 D74 L78C50-Q52 PolarHBondContact O-N 2.91Å; C50-Q52 PolarHBondContact SG-N 2.93Å; C50-Q52 VanDerWaalsContact SG-N 3.43Å; Q52-Y70 HydrophobicContact CB-CD1 4.26Å; Q52-Y70 HydrophobicContact CB-CE1 4.33Å; Q52-D74 HydrophobicContact CB-CB 4.01Å; Q52-D74 WeakPolarHBondContact CB-OD2 3.49Å; Q52-D74 HydrophobicContact CG-CB 4.27Å; Q52-L78 HydrophobicContact CB-CD1 4.23Å; Q52-L78 HydrophobicContact CG-CD1 4.08Å
53C88.8Confident84.5Confident43 Ų4363.3 Ų63.329%0.29132%0.317SS..THydrogen-bonded Turntrans-87.3-7.4-179.666.20000115.1C50 Q55 D74C50-C53 WeakPolarHBondContact CB-SG 3.23Å; C53-Q55 HydrophobicContact CB-CG 4.25Å; C53-Q55 PolarHBondContact O-N 3.04Å; C53-Q55 VanDerWaalsContact O-N 3.07Å; C53-D74 WeakPolarHBondContact CB-OD2 3.3Å; C53-D74 PolarHBondContact N-OD2 2.91Å; C53-D74 PolarHBondContact SG-OD2 3.33Å
54F88.6Confident84.5Confident137 Ų13765.8 Ų65.860%0.60133%0.33SS*.  trans58.115.9-176-50.4-61.5000115.5R24 V49 C50R24-F54 VanDerWaalsContact NH2-CD1 3.32Å; V49-F54 VanDerWaalsContact CB-O 3.32Å; V49-F54 WeakPolarHBondContact CB-O 3.39Å; V49-F54 HydrophobicContact CG2-CB 4.25Å; V49-F54 WeakPolarHBondContact CG2-O 3.24Å; C50-F54 VanDerWaalsContact O-CA 3.25Å; C50-F54 WeakPolarHBondContact O-CA 3.44Å; C50-F54 PolarHBondContact O-N 3.28Å; C50-F54 VanDerWaalsContact O-N 3.14Å
55Q87.8Confident84.3Confident133 Ų13368.5 Ų68.562%0.62134%0.341SS*.PPolyproline II helixtrans-83.1148.3173.4-60.9-179.3-1.200111.1V49 C50 C53V49-Q55 CarbonylContact C-O 3.58Å; V49-Q55 WeakPolarHBondContact CA-O 3.27Å; V49-Q55 WeakPolarHBondContact CB-O 3.49Å; C50-Q55 PolarHBondContact N-O 3.38Å; C53-Q55 HydrophobicContact CB-CG 4.25Å; C53-Q55 PolarHBondContact O-N 3.04Å; C53-Q55 VanDerWaalsContact O-N 3.07Å
56Q85.5Confident84.5Confident108 Ų10872.2 Ų72.251%0.50536%0.358SS..BIsolated β-bridgetrans-62.4149.1171-69.8176.4-12.900110.4E45 V49 P58E45-Q56 PolarHBondContact O-NE2 3.06Å; V49-Q56 HydrophobicContact CG1-CB 4.5Å; V49-Q56 HydrophobicContact CG1-CG 3.76Å; Q56-P58 VanDerWaalsContact O-CD 3.32Å; Q56-P58 WeakPolarHBondContact O-CD 3.19Å
57F85.2Confident84.4Confident16 Ų1667 Ų677%0.0735%0.349CS..PPolyproline II helixtrans-74.8117.7-179-60.1-74.9000110.7F48 C50 E59 G60 F62 K69 C71F48-F57 AromaticContact CD1-CD2 3.46Å; F48-F57 HydrophobicContact CD1-CD2 3.46Å; F48-F57 VanDerWaalsContact CD1-CD2 3.46Å; F48-F57 AromaticContact CD1-CE2 3.86Å; F48-F57 HydrophobicContact CD1-CE2 3.86Å; F48-F57 HydrophobicContact CD2-CE2 4.39Å; F48-F57 AromaticContact CE1-CD2 3.27Å; F48-F57 HydrophobicContact CE1-CD2 3.27Å; F48-F57 AromaticContact CE1-CE2 3.72Å; F48-F57 HydrophobicContact CE1-CE2 3.72Å; F48-F57 HydrophobicContact CE1-CG 4.22Å; F48-F57 HydrophobicContact CE2-CE2 4.27Å; F48-F57 HydrophobicContact CG-CD2 4.23Å; F48-F57 HydrophobicContact CG-CE2 4.19Å; F48-F57 AromaticContact CZ-CD2 3.91Å; F48-F57 HydrophobicContact CZ-CD2 3.91Å; F48-F57 AromaticContact CZ-CE2 3.93Å; F48-F57 HydrophobicContact CZ-CE2 3.93Å; C50-F57 HydrophobicContact CB-CE1 4.08Å; C50-F57 HydrophobicContact CB-CZ 4.39Å; F57-E59 PolarHBondContact O-N 2.82Å; F57-G60 PolarHBondContact O-N 3.42Å; F57-G60 VanDerWaalsContact O-N 3.12Å; F57-F62 HydrophobicContact CD1-CB 3.49Å; F57-F62 VanDerWaalsContact CD1-CB 3.49Å; F57-F62 HydrophobicContact CD2-CB 4.43Å; F57-F62 HydrophobicContact CE1-CB 3.54Å; F57-F62 HydrophobicContact CE2-CB 4.45Å; F57-F62 HydrophobicContact CG-CB 3.95Å; F57-F62 HydrophobicContact CZ-CB 4.03Å; F57-K69 HydrophobicContact CE2-CB 4.41Å; F57-K69 HydrophobicContact CZ-CB 3.73Å; F57-C71 HydrophobicContact CD1-CB 4.31Å
58P76.7Confident84.4Confident94 Ų9473.3 Ų73.361%0.6137%0.369SS*.G310 helixtrans-58.5129.4174.9-19.932.4000109.7Q56 G60 L61Q56-P58 VanDerWaalsContact O-CD 3.32Å; Q56-P58 WeakPolarHBondContact O-CD 3.19Å; P58-G60 PolarHBondContact O-N 3Å; P58-L61 PolarHBondContact O-N 2.83Å; P58-L61 VanDerWaalsContact O-N 3.13Å
59E73.9Confident84.3Confident179 Ų17973.4 Ų73.484%0.83637%0.37SS*.G310 helixtrans57.714.3-179.1-54-177.9174.400114.7F57 L61F57-E59 PolarHBondContact O-N 2.82Å; E59-L61 VanDerWaalsContact C-N 3.26Å; E59-L61 PolarHBondContact O-N 3.24Å
60G75Confident84.2Confident15 Ų1573.5 Ų73.516%0.15537%0.369CS..G310 helixtrans71.814.7-17700000114.7A5 F57 P58 F62A5-G60 PolarHBondContact N-O 3.1Å; A5-G60 VanDerWaalsContact N-O 3.13Å; F57-G60 PolarHBondContact O-N 3.42Å; F57-G60 VanDerWaalsContact O-N 3.12Å; P58-G60 PolarHBondContact O-N 3Å; G60-F62 WeakPolarHBondContact O-CD1 3.4Å
61L81.7Confident84.2Confident62 Ų6274.2 Ų74.233%0.32537%0.374SS..EExtended strand (participates in β ladder)trans-84.5126.9177.8-69.1172.5000111.7L2 V4 P58 E59L2-L61 HydrophobicContact CD2-CD2 4.19Å; V4-L61 HydrophobicContact CG2-CD2 4.06Å; P58-L61 PolarHBondContact O-N 2.83Å; P58-L61 VanDerWaalsContact O-N 3.13Å; E59-L61 VanDerWaalsContact C-N 3.26Å; E59-L61 PolarHBondContact O-N 3.24Å
62F86.2Confident84Confident4 Ų477.6 Ų77.62%0.01838%0.384CS..EExtended strand (participates in β ladder)trans-146.5159.6178.865.4-86.3000112.5G3 A5 S38 F48 F57 G60 K69G3-F62 PolarHBondContact N-O 3.5Å; G3-F62 VanDerWaalsContact N-O 3.1Å; G3-F62 PolarHBondContact O-N 3.38Å; A5-F62 HydrophobicContact CB-CE1 4.27Å; S38-F62 VanDerWaalsContact OG-CZ 3.3Å; S38-F62 WeakPolarHBondContact OG-CZ 3.28Å; F48-F62 HydrophobicContact CE1-CD1 4.3Å; F48-F62 AromaticContact CZ-CD1 3.78Å; F48-F62 HydrophobicContact CZ-CD1 3.78Å; F48-F62 AromaticContact CZ-CE1 3.75Å; F48-F62 HydrophobicContact CZ-CE1 3.75Å; F48-F62 HydrophobicContact CZ-CG 4.41Å; F48-F62 HydrophobicContact CZ-CZ 4.35Å; F57-F62 HydrophobicContact CD1-CB 3.49Å; F57-F62 VanDerWaalsContact CD1-CB 3.49Å; F57-F62 HydrophobicContact CD2-CB 4.43Å; F57-F62 HydrophobicContact CE1-CB 3.54Å; F57-F62 HydrophobicContact CE2-CB 4.45Å; F57-F62 HydrophobicContact CG-CB 3.95Å; F57-F62 HydrophobicContact CZ-CB 4.03Å; G60-F62 WeakPolarHBondContact O-CD1 3.4Å; F62-K69 HydrophobicContact CD2-CB 4.15Å; F62-K69 HydrophobicContact CD2-CD 4.24Å; F62-K69 HydrophobicContact CD2-CG 4.03Å; F62-K69 HydrophobicContact CE2-CD 4.12Å; F62-K69 HydrophobicContact CE2-CG 4.2Å
63Y84Confident83.8Confident53 Ų5378.2 Ų78.221%0.20839%0.387CS..EExtended strand (participates in β ladder)trans-114.6131.4176-67.4-101.2000109.4L2 Y70 E72 F75L2-Y63 HydrophobicContact CD1-CD1 4.32Å; L2-Y63 HydrophobicContact CD1-CD2 4.44Å; L2-Y63 HydrophobicContact CD1-CE1 3.62Å; L2-Y63 HydrophobicContact CD1-CE2 3.73Å; L2-Y63 WeakPolarHBondContact CD1-OH 3.46Å; Y63-Y70 PolarHBondContact N-O 3.13Å; Y63-Y70 PolarHBondContact O-N 3.2Å; Y63-E72 HydrophobicContact CD2-CB 4.26Å; Y63-E72 HydrophobicContact CE2-CB 3.66Å; Y63-E72 HydrophobicContact CE2-CG 3.77Å; Y63-F75 AromaticContact CD1-CD1 3.54Å; Y63-F75 HydrophobicContact CD1-CD1 3.54Å; Y63-F75 AromaticContact CD1-CE1 3.7Å; Y63-F75 HydrophobicContact CD1-CE1 3.7Å; Y63-F75 HydrophobicContact CD1-CG 4.15Å; Y63-F75 HydrophobicContact CD1-CZ 4.46Å; Y63-F75 HydrophobicContact CD2-CB 4.34Å; Y63-F75 HydrophobicContact CD2-CD1 4.4Å; Y63-F75 HydrophobicContact CD2-CG 4.46Å; Y63-F75 HydrophobicContact CE1-CD1 4.24Å; Y63-F75 HydrophobicContact CE1-CE1 4.44Å; Y63-F75 HydrophobicContact CG-CB 4.12Å; Y63-F75 AromaticContact CG-CD1 3.63Å; Y63-F75 HydrophobicContact CG-CD1 3.63Å; Y63-F75 HydrophobicContact CG-CD2 4.42Å; Y63-F75 HydrophobicContact CG-CE1 4.18Å; Y63-F75 AromaticContact CG-CG 3.77Å; Y63-F75 HydrophobicContact CG-CG 3.77Å
64E84.6Confident83.6Confident75 Ų7577 Ų7735%0.3538%0.378SS..EExtended strand (participates in β ladder)trans-103.7132.1178.5-164.7-178.6143.200111.7R68E64-R68 WeakPolarHBondContact CA-O 3.33Å
65F82.4Confident83.4Confident79 Ų7972.7 Ų72.735%0.34636%0.359SS..EExtended strand (participates in β ladder)trans-146.1128.8175.4-170.7-94.9000110.4G67 R68 Y70 F75 F79F65-G67 PolarHBondContact O-N 2.91Å; F65-G67 VanDerWaalsContact O-N 3.16Å; F65-R68 PolarHBondContact N-O 2.77Å; F65-R68 PolarHBondContact O-N 3.28Å; F65-Y70 HydrophobicContact CB-CD2 4.32Å; F65-Y70 HydrophobicContact CB-CE2 4.1Å; F65-F75 HydrophobicContact CB-CE2 3.83Å; F65-F75 HydrophobicContact CD2-CE2 4.36Å; F65-F75 HydrophobicContact CG-CE2 4.34Å; F65-F79 HydrophobicContact CB-CE2 4.36Å; F65-F79 HydrophobicContact CB-CZ 4.42Å; F65-F79 HydrophobicContact CD1-CD1 4.14Å; F65-F79 AromaticContact CD1-CE1 3.51Å; F65-F79 HydrophobicContact CD1-CE1 3.51Å; F65-F79 HydrophobicContact CD1-CE2 4.29Å; F65-F79 AromaticContact CD1-CZ 3.6Å; F65-F79 HydrophobicContact CD1-CZ 3.6Å; F65-F79 HydrophobicContact CE1-CD1 4.01Å; F65-F79 AromaticContact CE1-CE1 3.56Å; F65-F79 HydrophobicContact CE1-CE1 3.56Å; F65-F79 HydrophobicContact CE1-CZ 4.15Å; F65-F79 HydrophobicContact CG-CE1 4.24Å; F65-F79 HydrophobicContact CG-CE2 4.41Å; F65-F79 HydrophobicContact CG-CZ 4.16Å; F65-F79 HydrophobicContact CZ-CD1 4.32Å; F65-F79 HydrophobicContact CZ-CE1 4.32Å
66E84.6Confident83Confident167 Ų16768.4 Ų68.478%0.7834%0.339SS*.THydrogen-bonded Turntrans49.138.6-176.4-64.6-177.3163.900113.8R68E66-R68 PolarHBondContact O-N 3.42Å
67G81.1Confident82.6Confident55 Ų5568 Ų6857%0.56734%0.338SS*.THydrogen-bonded Turntrans74.96.6-179.300000115F65F65-G67 PolarHBondContact O-N 2.91Å; F65-G67 VanDerWaalsContact O-N 3.16Å
68R84.4Confident82.3Confident155 Ų15571.1 Ų71.159%0.58536%0.355SS*.EExtended strand (participates in β ladder)trans-108.5144.9176.7-62.5-178.5-174.6-162.42.9111A51 E64 F65 E66 Y70A51-R68 HydrophobicContact CB-CB 4.17Å; E64-R68 WeakPolarHBondContact CA-O 3.33Å; F65-R68 PolarHBondContact N-O 2.77Å; F65-R68 PolarHBondContact O-N 3.28Å; E66-R68 PolarHBondContact O-N 3.42Å; R68-Y70 HydrophobicContact CB-CD2 4.41Å; R68-Y70 HydrophobicContact CB-CE2 3.57Å; R68-Y70 WeakPolarHBondContact O-CD2 3.47Å
69K86.9Confident82.5Confident17 Ų1770 Ų707%0.07434%0.341CS..EExtended strand (participates in β ladder)trans-103.1122.1-176-58.5177.1174.974.30109.7S38 E41 Y43 F48 A51 F57 F62S38-K69 VanDerWaalsContact OG-CE 3.32Å; S38-K69 WeakPolarHBondContact OG-CE 3.3Å; E41-K69 IonicContact OE2-NZ 2.82Å; E41-K69 PolarHBondContact OE2-NZ 3.15Å; Y43-K69 PolarHBondContact OH-NZ 2.86Å; F48-K69 HydrophobicContact CD2-CD 4.49Å; F48-K69 HydrophobicContact CE2-CD 3.67Å; F48-K69 HydrophobicContact CZ-CD 4.33Å; A51-K69 WeakPolarHBondContact CB-O 3.27Å; A51-K69 PolarHBondContact N-O 2.91Å; F57-K69 HydrophobicContact CE2-CB 4.41Å; F57-K69 HydrophobicContact CZ-CB 3.73Å; F62-K69 HydrophobicContact CD2-CB 4.15Å; F62-K69 HydrophobicContact CD2-CD 4.24Å; F62-K69 HydrophobicContact CD2-CG 4.03Å; F62-K69 HydrophobicContact CE2-CD 4.12Å; F62-K69 HydrophobicContact CE2-CG 4.2Å
70Y88Confident82.9Confident16 Ų1662.7 Ų62.76%0.06331%0.311CS..EExtended strand (participates in β ladder)trans-118146.4-176.6-62.9-88.2000110.8A51 Q52 Y63 F65 R68 F75 L78 F79A51-Y70 HydrophobicContact CB-CD1 4.4Å; A51-Y70 HydrophobicContact CB-CE1 4.1Å; Q52-Y70 HydrophobicContact CB-CD1 4.26Å; Q52-Y70 HydrophobicContact CB-CE1 4.33Å; Y63-Y70 PolarHBondContact N-O 3.13Å; Y63-Y70 PolarHBondContact O-N 3.2Å; F65-Y70 HydrophobicContact CB-CD2 4.32Å; F65-Y70 HydrophobicContact CB-CE2 4.1Å; R68-Y70 HydrophobicContact CB-CD2 4.41Å; R68-Y70 HydrophobicContact CB-CE2 3.57Å; R68-Y70 WeakPolarHBondContact O-CD2 3.47Å; Y70-F75 HydrophobicContact CD2-CD2 4.28Å; Y70-F75 HydrophobicContact CG-CD2 4.42Å; Y70-L78 HydrophobicContact CD1-CD1 3.88Å; Y70-L78 HydrophobicContact CE1-CD1 3.59Å; Y70-F79 HydrophobicContact CD1-CE2 4.26Å; Y70-F79 AromaticContact CD2-CE2 3.95Å; Y70-F79 HydrophobicContact CD2-CE2 3.95Å; Y70-F79 HydrophobicContact CE1-CE2 4.15Å; Y70-F79 HydrophobicContact CE1-CZ 4.29Å; Y70-F79 AromaticContact CE2-CE2 3.82Å; Y70-F79 HydrophobicContact CE2-CE2 3.82Å; Y70-F79 AromaticContact CE2-CZ 3.93Å; Y70-F79 HydrophobicContact CE2-CZ 3.93Å; Y70-F79 HydrophobicContact CG-CE2 4.17Å; Y70-F79 AromaticContact CZ-CE2 3.93Å; Y70-F79 AromaticContact CZ-CZ 3.81Å
71C87.5Confident83.3Confident16 Ų1664.4 Ų64.411%0.10832%0.319CS..  trans-72.7163169.568.60000108.6C50 F57 H73 D74 F75C50-C71 HydrophobicContact CB-CB 4.26Å; C50-C71 PolarHBondContact SG-N 3.18Å; F57-C71 HydrophobicContact CD1-CB 4.31Å; C71-H73 VanDerWaalsContact C-N 3.26Å; C71-H73 PolarHBondContact O-N 3.4Å; C71-D74 PolarHBondContact O-N 3.14Å; C71-D74 VanDerWaalsContact SG-CB 3.59Å; C71-D74 VanDerWaalsContact SG-CG 3.51Å; C71-D74 PolarHBondContact SG-N 3.08Å; C71-D74 PolarHBondContact SG-OD2 2.89Å; C71-F75 WeakPolarHBondContact O-CB 3.09Å; C71-F75 PolarHBondContact O-N 3.45Å
72E84Confident83.6Confident100 Ų10064.6 Ų64.647%0.46733%0.325SS..Hα-helixtrans-53.3-45.6179.7-175.2173.5-176.300112.1Y63 Q76Y63-E72 HydrophobicContact CD2-CB 4.26Å; Y63-E72 HydrophobicContact CE2-CB 3.66Å; Y63-E72 HydrophobicContact CE2-CG 3.77Å; E72-Q76 WeakPolarHBondContact O-CB 3.46Å; E72-Q76 WeakPolarHBondContact O-CG 3.38Å; E72-Q76 PolarHBondContact O-N 3.38Å; E72-Q76 PolarHBondContact OE1-NE2 3.04Å; E72-Q76 VanDerWaalsContact OE1-NE2 3.11Å
73H83.7Confident83.8Confident119 Ų11964.5 Ų64.555%0.55133%0.325SS*.Hα-helixtrans-61.3-54.2-179.8-176.872.1000112.6C71 F75 Q76 M77C71-H73 VanDerWaalsContact C-N 3.26Å; C71-H73 PolarHBondContact O-N 3.4Å; H73-F75 VanDerWaalsContact C-N 3.32Å; H73-F75 PolarHBondContact O-N 3.34Å; H73-Q76 PolarHBondContact O-N 3.01Å; H73-M77 VanDerWaalsContact O-CG 3.29Å; H73-M77 WeakPolarHBondContact O-CG 3.33Å; H73-M77 PolarHBondContact O-N 2.98Å
74D84.6Confident84.1Confident18 Ų1867.3 Ų67.310%0.09634%0.34CS..Hα-helixtrans-68.2-34.2-178.1-71.6-22000111.9C50 Q52 C53 C71 Q76 M77 L78C50-D74 PolarHBondContact SG-OD2 3.09Å; Q52-D74 HydrophobicContact CB-CB 4.01Å; Q52-D74 WeakPolarHBondContact CB-OD2 3.49Å; Q52-D74 HydrophobicContact CG-CB 4.27Å; C53-D74 WeakPolarHBondContact CB-OD2 3.3Å; C53-D74 PolarHBondContact N-OD2 2.91Å; C53-D74 PolarHBondContact SG-OD2 3.33Å; C71-D74 PolarHBondContact O-N 3.14Å; C71-D74 VanDerWaalsContact SG-CB 3.59Å; C71-D74 VanDerWaalsContact SG-CG 3.51Å; C71-D74 PolarHBondContact SG-N 3.08Å; C71-D74 PolarHBondContact SG-OD2 2.89Å; D74-Q76 VanDerWaalsContact C-N 3.33Å; D74-M77 PolarHBondContact O-N 2.99Å; D74-L78 VanDerWaalsContact O-CB 3.29Å; D74-L78 WeakPolarHBondContact O-CB 3.44Å; D74-L78 VanDerWaalsContact O-CG 3.23Å; D74-L78 WeakPolarHBondContact O-CG 3.49Å; D74-L78 PolarHBondContact O-N 3.37Å
75F84.4Confident84.3Confident45 Ų4569.6 Ų69.620%0.19735%0.35CS..Hα-helixtrans-62.8-42.9174.5-173.2-103.8000111Y63 F65 Y70 C71 H73 F79Y63-F75 AromaticContact CD1-CD1 3.54Å; Y63-F75 HydrophobicContact CD1-CD1 3.54Å; Y63-F75 AromaticContact CD1-CE1 3.7Å; Y63-F75 HydrophobicContact CD1-CE1 3.7Å; Y63-F75 HydrophobicContact CD1-CG 4.15Å; Y63-F75 HydrophobicContact CD1-CZ 4.46Å; Y63-F75 HydrophobicContact CD2-CB 4.34Å; Y63-F75 HydrophobicContact CD2-CD1 4.4Å; Y63-F75 HydrophobicContact CD2-CG 4.46Å; Y63-F75 HydrophobicContact CE1-CD1 4.24Å; Y63-F75 HydrophobicContact CE1-CE1 4.44Å; Y63-F75 HydrophobicContact CG-CB 4.12Å; Y63-F75 AromaticContact CG-CD1 3.63Å; Y63-F75 HydrophobicContact CG-CD1 3.63Å; Y63-F75 HydrophobicContact CG-CD2 4.42Å; Y63-F75 HydrophobicContact CG-CE1 4.18Å; Y63-F75 AromaticContact CG-CG 3.77Å; Y63-F75 HydrophobicContact CG-CG 3.77Å; F65-F75 HydrophobicContact CB-CE2 3.83Å; F65-F75 HydrophobicContact CD2-CE2 4.36Å; F65-F75 HydrophobicContact CG-CE2 4.34Å; Y70-F75 HydrophobicContact CD2-CD2 4.28Å; Y70-F75 HydrophobicContact CG-CD2 4.42Å; C71-F75 WeakPolarHBondContact O-CB 3.09Å; C71-F75 PolarHBondContact O-N 3.45Å; H73-F75 VanDerWaalsContact C-N 3.32Å; H73-F75 PolarHBondContact O-N 3.34Å; F75-F79 AromaticContact CD2-CD2 3.33Å; F75-F79 HydrophobicContact CD2-CD2 3.33Å; F75-F79 AromaticContact CD2-CE2 3.72Å; F75-F79 HydrophobicContact CD2-CE2 3.72Å; F75-F79 HydrophobicContact CD2-CG 4.39Å; F75-F79 HydrophobicContact CE2-CB 4.43Å; F75-F79 AromaticContact CE2-CD2 3.46Å; F75-F79 HydrophobicContact CE2-CD2 3.46Å; F75-F79 VanDerWaalsContact CE2-CD2 3.46Å; F75-F79 HydrophobicContact CE2-CE2 4.01Å; F75-F79 HydrophobicContact CE2-CG 4.17Å; F75-F79 HydrophobicContact CG-CD2 4.05Å; F75-F79 HydrophobicContact CZ-CD2 4.33Å; F75-F79 WeakPolarHBondContact O-CB 3.23Å; F75-F79 VanDerWaalsContact O-CD2 3.24Å; F75-F79 WeakPolarHBondContact O-CD2 3.3Å; F75-F79 PolarHBondContact O-N 2.88Å; F75-F79 VanDerWaalsContact O-N 3.07Å
76Q78.4Confident84.7Confident43 Ų4368.7 Ų68.720%0.20135%0.353CS..Hα-helixtrans-66.1-47.2175.3-71.4171.99.500111.5E72 H73 D74 L78 F79 A80E72-Q76 WeakPolarHBondContact O-CB 3.46Å; E72-Q76 WeakPolarHBondContact O-CG 3.38Å; E72-Q76 PolarHBondContact O-N 3.38Å; E72-Q76 PolarHBondContact OE1-NE2 3.04Å; E72-Q76 VanDerWaalsContact OE1-NE2 3.11Å; H73-Q76 PolarHBondContact O-N 3.01Å; D74-Q76 VanDerWaalsContact C-N 3.33Å; Q76-L78 VanDerWaalsContact C-N 3.31Å; Q76-L78 PolarHBondContact O-N 3.32Å; Q76-F79 PolarHBondContact O-N 2.82Å; Q76-A80 HydrophobicContact CB-CB 4.35Å; Q76-A80 WeakPolarHBondContact O-CA 3.5Å; Q76-A80 WeakPolarHBondContact O-CB 3.11Å; Q76-A80 PolarHBondContact O-N 2.9Å
77M78.1Confident84.7Confident101 Ų10163 Ų6350%0.49834%0.339SS..Hα-helixtrans-60.8-37.4-179.9-71.3-68.8-64.400113.4H73 D74 F89H73-M77 VanDerWaalsContact O-CG 3.29Å; H73-M77 WeakPolarHBondContact O-CG 3.33Å; H73-M77 PolarHBondContact O-N 2.98Å; D74-M77 PolarHBondContact O-N 2.99Å; M77-F89 HydrophobicContact CE-CZ 4.28Å; M77-F89 HydrophobicContact CG-CZ 4.38Å; M77-F89 HydrophobicContact SD-CE1 4.36Å; M77-F89 HydrophobicContact SD-CE2 3.47Å; M77-F89 WeakPolarHBondContact SD-CE2 3.36Å; M77-F89 HydrophobicContact SD-CZ 3.24Å; M77-F89 WeakPolarHBondContact SD-CZ 3.21Å
78L78.4Confident85Confident80 Ų8066.3 Ų66.342%0.41934%0.34SS..Hα-helixtrans-86.6-29.8-175.6-68.5171.9000113.3Q52 Y70 D74 Q76Q52-L78 HydrophobicContact CB-CD1 4.23Å; Q52-L78 HydrophobicContact CG-CD1 4.08Å; Y70-L78 HydrophobicContact CD1-CD1 3.88Å; Y70-L78 HydrophobicContact CE1-CD1 3.59Å; D74-L78 VanDerWaalsContact O-CB 3.29Å; D74-L78 WeakPolarHBondContact O-CB 3.44Å; D74-L78 VanDerWaalsContact O-CG 3.23Å; D74-L78 WeakPolarHBondContact O-CG 3.49Å; D74-L78 PolarHBondContact O-N 3.37Å; Q76-L78 VanDerWaalsContact C-N 3.31Å; Q76-L78 PolarHBondContact O-N 3.32Å
79F80.5Confident85Confident72 Ų7261.7 Ų61.732%0.31632%0.324SS..Hα-helixtrans-128.5-16.8-166.4-50.1-67.8000114.8F65 Y70 F75 Q76F65-F79 HydrophobicContact CB-CE2 4.36Å; F65-F79 HydrophobicContact CB-CZ 4.42Å; F65-F79 HydrophobicContact CD1-CD1 4.14Å; F65-F79 AromaticContact CD1-CE1 3.51Å; F65-F79 HydrophobicContact CD1-CE1 3.51Å; F65-F79 HydrophobicContact CD1-CE2 4.29Å; F65-F79 AromaticContact CD1-CZ 3.6Å; F65-F79 HydrophobicContact CD1-CZ 3.6Å; F65-F79 HydrophobicContact CE1-CD1 4.01Å; F65-F79 AromaticContact CE1-CE1 3.56Å; F65-F79 HydrophobicContact CE1-CE1 3.56Å; F65-F79 HydrophobicContact CE1-CZ 4.15Å; F65-F79 HydrophobicContact CG-CE1 4.24Å; F65-F79 HydrophobicContact CG-CE2 4.41Å; F65-F79 HydrophobicContact CG-CZ 4.16Å; F65-F79 HydrophobicContact CZ-CD1 4.32Å; F65-F79 HydrophobicContact CZ-CE1 4.32Å; Y70-F79 HydrophobicContact CD1-CE2 4.26Å; Y70-F79 AromaticContact CD2-CE2 3.95Å; Y70-F79 HydrophobicContact CD2-CE2 3.95Å; Y70-F79 HydrophobicContact CE1-CE2 4.15Å; Y70-F79 HydrophobicContact CE1-CZ 4.29Å; Y70-F79 AromaticContact CE2-CE2 3.82Å; Y70-F79 HydrophobicContact CE2-CE2 3.82Å; Y70-F79 AromaticContact CE2-CZ 3.93Å; Y70-F79 HydrophobicContact CE2-CZ 3.93Å; Y70-F79 HydrophobicContact CG-CE2 4.17Å; Y70-F79 AromaticContact CZ-CE2 3.93Å; Y70-F79 AromaticContact CZ-CZ 3.81Å; F75-F79 AromaticContact CD2-CD2 3.33Å; F75-F79 HydrophobicContact CD2-CD2 3.33Å; F75-F79 AromaticContact CD2-CE2 3.72Å; F75-F79 HydrophobicContact CD2-CE2 3.72Å; F75-F79 HydrophobicContact CD2-CG 4.39Å; F75-F79 HydrophobicContact CE2-CB 4.43Å; F75-F79 AromaticContact CE2-CD2 3.46Å; F75-F79 HydrophobicContact CE2-CD2 3.46Å; F75-F79 VanDerWaalsContact CE2-CD2 3.46Å; F75-F79 HydrophobicContact CE2-CE2 4.01Å; F75-F79 HydrophobicContact CE2-CG 4.17Å; F75-F79 HydrophobicContact CG-CD2 4.05Å; F75-F79 HydrophobicContact CZ-CD2 4.33Å; F75-F79 WeakPolarHBondContact O-CB 3.23Å; F75-F79 VanDerWaalsContact O-CD2 3.24Å; F75-F79 WeakPolarHBondContact O-CD2 3.3Å; F75-F79 PolarHBondContact O-N 2.88Å; F75-F79 VanDerWaalsContact O-N 3.07Å; Q76-F79 PolarHBondContact O-N 2.82Å
80A81.4Confident84.8Confident24 Ų2461.3 Ų61.320%0.19832%0.323CS..SBendtrans-77131.8178.800000110.7Q76 C82 F89Q76-A80 HydrophobicContact CB-CB 4.35Å; Q76-A80 WeakPolarHBondContact O-CA 3.5Å; Q76-A80 WeakPolarHBondContact O-CB 3.11Å; Q76-A80 PolarHBondContact O-N 2.9Å; A80-C82 PolarHBondContact O-N 3.49Å; A80-F89 HydrophobicContact CB-CB 4.08Å; A80-F89 HydrophobicContact CB-CD1 3.93Å; A80-F89 HydrophobicContact CB-CG 4.3Å
81P83.9Confident84.5Confident51 Ų5166.8 Ų66.833%0.33135%0.351SS..PPolyproline II helixtrans-69.3132.5175.327.3-30.7000110.2I90 V94P81-I90 HydrophobicContact CG-CB 4.34Å; P81-I90 WeakPolarHBondContact O-CB 3.31Å; P81-I90 WeakPolarHBondContact O-CG1 3.24Å; P81-I90 PolarHBondContact O-N 2.95Å; P81-V94 HydrophobicContact CG-CG2 4.24Å
82C88.5Confident84.2Confident66 Ų6669.2 Ų69.245%0.44638%0.38SS..BIsolated β-bridgetrans-76.2141170.5-62.30000110.7A80 F89A80-C82 PolarHBondContact O-N 3.49Å; C82-F89 VanDerWaalsContact SG-CE1 3.59Å
83C91.3Very high84.2Confident2 Ų271 Ų711%0.01438%0.382CS..PPolyproline II helixtrans-73.1131170.6178.20000110.7Q85 G87 E88 I90 S101 H103C83-Q85 PolarHBondContact O-N 3.03Å; C83-Q85 PolarHBondContact SG-N 2.06Å; C83-Q85 VanDerWaalsContact SG-N 3.38Å; C83-G87 WeakPolarHBondContact O-CA 3.49Å; C83-G87 PolarHBondContact O-N 2.85Å; C83-E88 PolarHBondContact N-O 3.44Å; C83-I90 HydrophobicContact CB-CD1 3.95Å; C83-I90 HydrophobicContact CB-CG1 3.81Å; C83-S101 WeakPolarHBondContact CA-O 3.41Å; C83-H103 VanDerWaalsContact CB-CE1 3.41Å; C83-H103 WeakPolarHBondContact CB-CE1 3.49Å; C83-H103 WeakPolarHBondContact CB-ND1 3.37Å; C83-H103 PolarHBondContact SG-ND1 2.94Å
84H89.2Confident84.5Confident113 Ų11367.9 Ų67.952%0.52337%0.371SS..THydrogen-bonded Turntrans-64.2-27.7178.2-172.284.3000113.8N100 S101 W102H84-N100 HydrophobicContact CB-CB 3.9Å; H84-N100 PolarHBondContact CE1-ND2 3.07Å; H84-N100 PolarHBondContact ND1-ND2 3.07Å; H84-S101 PolarHBondContact N-O 3.45Å; H84-W102 HydrophobicContact CB-CD2 4.11Å; H84-W102 HydrophobicContact CB-CE3 3.99Å; H84-W102 HydrophobicContact CB-CH2 3.85Å; H84-W102 HydrophobicContact CB-CZ2 3.93Å; H84-W102 HydrophobicContact CB-CZ3 3.86Å; H84-W102 AromaticContact CD2-CH2 3.24Å; H84-W102 WeakPolarHBondContact CD2-CH2 3.33Å; H84-W102 AromaticContact CD2-CZ2 3.82Å; H84-W102 AromaticContact CD2-CZ3 3.75Å; H84-W102 AromaticContact CG-CH2 3.8Å
85Q88.7Confident84.8Confident123 Ų12368.2 Ų68.258%0.57537%0.373SS*.THydrogen-bonded Turntrans-81.2-48.8-178.2-176.66421.300113C83 W102 C106C83-Q85 PolarHBondContact O-N 3.03Å; C83-Q85 PolarHBondContact SG-N 2.06Å; C83-Q85 VanDerWaalsContact SG-N 3.38Å; Q85-W102 HydrophobicContact CB-CE3 3.98Å; Q85-W102 HydrophobicContact CB-CZ3 3.95Å; Q85-C106 HydrophobicContact CB-CB 3.88Å; Q85-C106 HydrophobicContact CG-CB 4.22Å
86C91.3Very high85Confident59 Ų5974.3 Ų74.340%0.39940%0.399SS..THydrogen-bonded Turntrans-106.7-9.6-173.667.30000113.9E88 H103C86-E88 PolarHBondContact O-N 3.26Å; C86-E88 VanDerWaalsContact O-N 3.13Å; C86-H103 PolarHBondContact SG-CE1 3.28Å; C86-H103 PolarHBondContact SG-ND1 3.14Å
87G84.9Confident85.5Confident47 Ų4772.8 Ų72.849%0.48539%0.394SS..  trans77.9-18.3-178.200000114.8C83C83-G87 WeakPolarHBondContact O-CA 3.49Å; C83-G87 PolarHBondContact O-N 2.85Å
88E86.4Confident85.8Confident126 Ų12669.9 Ų69.959%0.58938%0.38SS*.  trans-71.9155.8-178-61.2-58.2147.200113.6C83 C86C83-E88 PolarHBondContact N-O 3.44Å; C86-E88 PolarHBondContact O-N 3.26Å; C86-E88 VanDerWaalsContact O-N 3.13Å
89F83.9Confident86.2Confident58 Ų5874.2 Ų74.225%0.25440%0.403SS..BIsolated β-bridgetrans-63.7137.1175.8-59.1-66.9000111.7M77 A80 C82 H103M77-F89 HydrophobicContact CE-CZ 4.28Å; M77-F89 HydrophobicContact CG-CZ 4.38Å; M77-F89 HydrophobicContact SD-CE1 4.36Å; M77-F89 HydrophobicContact SD-CE2 3.47Å; M77-F89 WeakPolarHBondContact SD-CE2 3.36Å; M77-F89 HydrophobicContact SD-CZ 3.24Å; M77-F89 WeakPolarHBondContact SD-CZ 3.21Å; A80-F89 HydrophobicContact CB-CB 4.08Å; A80-F89 HydrophobicContact CB-CD1 3.93Å; A80-F89 HydrophobicContact CB-CG 4.3Å; C82-F89 VanDerWaalsContact SG-CE1 3.59Å; F89-H103 PolarHBondContact O-NE2 3.48Å; F89-H103 VanDerWaalsContact O-NE2 3.08Å
90I84.4Confident86.7Confident9 Ų973.4 Ų73.45%0.04640%0.402CS..  trans-90.4114.2176.2-55.9164.1000109.2P81 C83 V94 W102 H103P81-I90 HydrophobicContact CG-CB 4.34Å; P81-I90 WeakPolarHBondContact O-CB 3.31Å; P81-I90 WeakPolarHBondContact O-CG1 3.24Å; P81-I90 PolarHBondContact O-N 2.95Å; C83-I90 HydrophobicContact CB-CD1 3.95Å; C83-I90 HydrophobicContact CB-CG1 3.81Å; I90-V94 HydrophobicContact CD1-CG2 3.94Å; I90-V94 HydrophobicContact CG2-CB 4.1Å; I90-V94 HydrophobicContact CG2-CG2 4.41Å; I90-W102 VanDerWaalsContact CD1-C 3.41Å; I90-H103 WeakPolarHBondContact CA-NE2 3.41Å
91I80.4Confident87.2Confident130 Ų13073.5 Ų73.567%0.66740%0.401SS*.  trans-101.8122.3175-54.9174.6000108.3
92G81.3Confident87.6Confident68 Ų6871.5 Ų71.570%0.70139%0.387SS*.SBendtrans91.1-127.2178.100000114.2V94G92-V94 PolarHBondContact O-N 3.09Å
93R84.2Confident87.8Confident137 Ų13770.3 Ų70.352%0.51738%0.375SS..  trans-67.1119.9-175.3-176.3-178.9179.5-166.1-0.7109.9P104 A117 D118R93-P104 HydrophobicContact CB-CG 4.13Å; R93-P104 HydrophobicContact CG-CG 4.04Å; R93-P104 VanDerWaalsContact O-CD 3.31Å; R93-P104 WeakPolarHBondContact O-CD 3.46Å; R93-A117 PolarHBondContact NH2-O 2.91Å; R93-D118 IonicContact CZ-OD1 3.78Å; R93-D118 VanDerWaalsContact CZ-OD1 3.28Å; R93-D118 IonicContact NH1-OD1 3.28Å; R93-D118 PolarHBondContact NH1-OD1 3.43Å; R93-D118 IonicContact NH1-OD2 2.76Å; R93-D118 IonicContact NH2-OD1 3.95Å; R93-D118 PolarHBondContact NH2-OD1 3.48Å
94V89.3Confident87.8Confident54 Ų5471.7 Ų71.733%0.32738%0.384SS..  trans-107.4134.3175.960.10000111P81 I90 G92 K96P81-V94 HydrophobicContact CG-CG2 4.24Å; I90-V94 HydrophobicContact CD1-CG2 3.94Å; I90-V94 HydrophobicContact CG2-CB 4.1Å; I90-V94 HydrophobicContact CG2-CG2 4.41Å; G92-V94 PolarHBondContact O-N 3.09Å; V94-K96 HydrophobicContact CG2-CG 4.37Å
95I90.9Very high87.9Confident24 Ų2473 Ų7312%0.12339%0.39CS..EExtended strand (participates in β ladder)trans-94.8116.9168.5-55.7-57.7000108.1A97 S101 W102 P104 F107 A117I95-A97 HydrophobicContact CG2-CB 4.15Å; I95-S101 CarbonylContact O-C 3.56Å; I95-S101 WeakPolarHBondContact O-CA 3.41Å; I95-W102 HydrophobicContact CB-CB 4.27Å; I95-W102 PolarHBondContact N-O 2.81Å; I95-W102 PolarHBondContact O-N 2.99Å; I95-P104 HydrophobicContact CG1-CB 4.47Å; I95-P104 HydrophobicContact CG1-CG 4.33Å; I95-F107 HydrophobicContact CG2-CB 4.44Å; I95-F107 HydrophobicContact CG2-CD1 3.86Å; I95-F107 HydrophobicContact CG2-CE1 4.27Å; I95-F107 HydrophobicContact CG2-CG 4.05Å; I95-A117 HydrophobicContact CD1-CB 4.07Å; I95-A117 HydrophobicContact CG1-CB 4.28Å
96K90.1Very high88.1Confident174 Ų17468.6 Ų68.676%0.75737%0.373SS*.EExtended strand (participates in β ladder)trans-98.1107.1171.2-71.2-170.3177.4-1760109.1V94V94-K96 HydrophobicContact CG2-CG 4.37Å
97A87.5Confident88.2Confident10 Ų1066 Ų668%0.08335%0.354CS..EExtended strand (participates in β ladder)trans-149.5146.7-177.200000110.5I95 N99 N100 W102 F107 F121I95-A97 HydrophobicContact CG2-CB 4.15Å; A97-N99 PolarHBondContact O-N 3.27Å; A97-N100 PolarHBondContact N-O 3.38Å; A97-N100 CarbonylContact O-C 3.59Å; A97-N100 PolarHBondContact O-N 2.83Å; A97-W102 PolarHBondContact O-NE1 3.24Å; A97-F107 HydrophobicContact CB-CE1 4.26Å; A97-F107 HydrophobicContact CB-CE2 3.76Å; A97-F107 HydrophobicContact CB-CZ 3.58Å; A97-F121 HydrophobicContact CB-CE1 3.88Å; A97-F121 HydrophobicContact CB-CZ 3.81Å
98M85.4Confident88.6Confident41 Ų4168.4 Ų68.420%0.20235%0.349CS..THydrogen-bonded Turntrans54.936.4178.9-55.1-160.762.200114.1N100 F121 K123 G126 H128M98-N100 PolarHBondContact O-N 2.87Å; M98-F121 HydrophobicContact CG-CE2 4.08Å; M98-F121 HydrophobicContact CG-CZ 4.47Å; M98-K123 HydrophobicContact CE-CD 4.19Å; M98-K123 HydrophobicContact CE-CG 4.01Å; M98-G126 VanDerWaalsContact CE-C 3.43Å; M98-G126 WeakPolarHBondContact CE-O 3.45Å; M98-H128 HydrophobicContact SD-CB 3.68Å
99N87.4Confident88.9Confident170 Ų17062.4 Ų62.491%0.90932%0.321SS*.THydrogen-bonded Turntrans61.214.6-174.3-57.2-19.2000114.9A97A97-N99 PolarHBondContact O-N 3.27Å
100N90.3Very high89.2Confident56 Ų5663.2 Ų63.230%0.29933%0.328SS..EExtended strand (participates in β ladder)trans-124.1163.6-179.9-74.9-35.3000110.8H84 A97 M98 W102H84-N100 HydrophobicContact CB-CB 3.9Å; H84-N100 PolarHBondContact CE1-ND2 3.07Å; H84-N100 PolarHBondContact ND1-ND2 3.07Å; A97-N100 PolarHBondContact N-O 3.38Å; A97-N100 CarbonylContact O-C 3.59Å; A97-N100 PolarHBondContact O-N 2.83Å; M98-N100 PolarHBondContact O-N 2.87Å; N100-W102 HydrophobicContact CB-CZ2 3.79Å; N100-W102 PolarHBondContact O-NE1 3.49Å
101S91.6Very high89.5Confident25 Ų2566.7 Ų66.718%0.17535%0.346CS..EExtended strand (participates in β ladder)trans-106.2142.3173.2-58.80000110.2C83 H84 I95C83-S101 WeakPolarHBondContact CA-O 3.41Å; H84-S101 PolarHBondContact N-O 3.45Å; I95-S101 CarbonylContact O-C 3.56Å; I95-S101 WeakPolarHBondContact O-CA 3.41Å
102W93.4Very high90Very high10 Ų1063.2 Ų63.24%0.03833%0.332CS..EExtended strand (participates in β ladder)trans-141.3145.5-174.8-45.779.4000111.2H84 Q85 I90 I95 A97 N100 F107H84-W102 HydrophobicContact CB-CD2 4.11Å; H84-W102 HydrophobicContact CB-CE3 3.99Å; H84-W102 HydrophobicContact CB-CH2 3.85Å; H84-W102 HydrophobicContact CB-CZ2 3.93Å; H84-W102 HydrophobicContact CB-CZ3 3.86Å; H84-W102 AromaticContact CD2-CH2 3.24Å; H84-W102 WeakPolarHBondContact CD2-CH2 3.33Å; H84-W102 AromaticContact CD2-CZ2 3.82Å; H84-W102 AromaticContact CD2-CZ3 3.75Å; H84-W102 AromaticContact CG-CH2 3.8Å; Q85-W102 HydrophobicContact CB-CE3 3.98Å; Q85-W102 HydrophobicContact CB-CZ3 3.95Å; I90-W102 VanDerWaalsContact CD1-C 3.41Å; I95-W102 HydrophobicContact CB-CB 4.27Å; I95-W102 PolarHBondContact N-O 2.81Å; I95-W102 PolarHBondContact O-N 2.99Å; A97-W102 PolarHBondContact O-NE1 3.24Å; N100-W102 HydrophobicContact CB-CZ2 3.79Å; N100-W102 PolarHBondContact O-NE1 3.49Å; W102-F107 HydrophobicContact CB-CB 3.88Å; W102-F107 HydrophobicContact CB-CD2 4.19Å; W102-F107 HydrophobicContact CB-CG 4.37Å; W102-F107 AromaticContact CD1-CD2 3.88Å; W102-F107 AromaticContact CD2-CD2 3.77Å; W102-F107 HydrophobicContact CD2-CD2 3.77Å; W102-F107 HydrophobicContact CD2-CE2 4.45Å; W102-F107 HydrophobicContact CE3-CD2 4.28Å; W102-F107 HydrophobicContact CG-CB 4.31Å; W102-F107 AromaticContact CG-CD2 3.7Å; W102-F107 HydrophobicContact CG-CD2 3.7Å; W102-F107 HydrophobicContact CG-CE2 4.49Å; W102-F107 HydrophobicContact CG-CG 4.34Å
103H92Very high90.5Very high41 Ų4164.8 Ų64.819%0.1932%0.322CS..  trans-64.8147.9160.9-59.898.6000109.3C83 C86 F89 I90 E105 C106 F107C83-H103 VanDerWaalsContact CB-CE1 3.41Å; C83-H103 WeakPolarHBondContact CB-CE1 3.49Å; C83-H103 WeakPolarHBondContact CB-ND1 3.37Å; C83-H103 PolarHBondContact SG-ND1 2.94Å; C86-H103 PolarHBondContact SG-CE1 3.28Å; C86-H103 PolarHBondContact SG-ND1 3.14Å; F89-H103 PolarHBondContact O-NE2 3.48Å; F89-H103 VanDerWaalsContact O-NE2 3.08Å; I90-H103 WeakPolarHBondContact CA-NE2 3.41Å; H103-E105 PolarHBondContact O-N 3.05Å; H103-C106 HydrophobicContact CB-CB 3.94Å; H103-C106 PolarHBondContact O-N 3.41Å; H103-F107 PolarHBondContact O-N 3.15Å
104P91.3Very high90.8Very high31 Ų3163.1 Ų63.120%0.20132%0.32CS..THydrogen-bonded Turntrans-51.4-43.8174.4-28.135.9000112.1R93 I95 C106 V115 A117R93-P104 HydrophobicContact CB-CG 4.13Å; R93-P104 HydrophobicContact CG-CG 4.04Å; R93-P104 VanDerWaalsContact O-CD 3.31Å; R93-P104 WeakPolarHBondContact O-CD 3.46Å; I95-P104 HydrophobicContact CG1-CB 4.47Å; I95-P104 HydrophobicContact CG1-CG 4.33Å; P104-C106 VanDerWaalsContact C-N 3.35Å; P104-C106 PolarHBondContact O-N 3.02Å; P104-V115 WeakPolarHBondContact O-CG1 3.19Å; P104-A117 HydrophobicContact CB-CB 3.86Å
105E91.9Very high90.9Very high141 Ų14162.7 Ų62.766%0.65932%0.317SS*.THydrogen-bonded Turntrans-74.6-22.2179.7-60.7-177.9-173.400114H103 R108H103-E105 PolarHBondContact O-N 3.05Å; E105-R108 WeakPolarHBondContact O-CG 3.35Å; E105-R108 PolarHBondContact O-NE 2.91Å; E105-R108 PolarHBondContact O-NH2 3.49Å
106C91.6Very high91Very high30 Ų3061.6 Ų61.620%0.20331%0.312CS..THydrogen-bonded Turntrans-88.5-19179.8-68.30000112.6Q85 H103 P104 R108Q85-C106 HydrophobicContact CB-CB 3.88Å; Q85-C106 HydrophobicContact CG-CB 4.22Å; H103-C106 HydrophobicContact CB-CB 3.94Å; H103-C106 PolarHBondContact O-N 3.41Å; P104-C106 VanDerWaalsContact C-N 3.35Å; P104-C106 PolarHBondContact O-N 3.02Å; C106-R108 PolarHBondContact O-N 3.42Å; C106-R108 VanDerWaalsContact O-N 3.09Å
107F93.6Very high90.9Very high3 Ų354.2 Ų54.21%0.01328%0.283CS..  trans-82.185.7176.9-167.3-117.9000110.6I95 A97 W102 H103 L116 F121 H128I95-F107 HydrophobicContact CG2-CB 4.44Å; I95-F107 HydrophobicContact CG2-CD1 3.86Å; I95-F107 HydrophobicContact CG2-CE1 4.27Å; I95-F107 HydrophobicContact CG2-CG 4.05Å; A97-F107 HydrophobicContact CB-CE1 4.26Å; A97-F107 HydrophobicContact CB-CE2 3.76Å; A97-F107 HydrophobicContact CB-CZ 3.58Å; W102-F107 HydrophobicContact CB-CB 3.88Å; W102-F107 HydrophobicContact CB-CD2 4.19Å; W102-F107 HydrophobicContact CB-CG 4.37Å; W102-F107 AromaticContact CD1-CD2 3.88Å; W102-F107 AromaticContact CD2-CD2 3.77Å; W102-F107 HydrophobicContact CD2-CD2 3.77Å; W102-F107 HydrophobicContact CD2-CE2 4.45Å; W102-F107 HydrophobicContact CE3-CD2 4.28Å; W102-F107 HydrophobicContact CG-CB 4.31Å; W102-F107 AromaticContact CG-CD2 3.7Å; W102-F107 HydrophobicContact CG-CD2 3.7Å; W102-F107 HydrophobicContact CG-CE2 4.49Å; W102-F107 HydrophobicContact CG-CG 4.34Å; H103-F107 PolarHBondContact O-N 3.15Å; F107-L116 HydrophobicContact CD1-CB 3.61Å; F107-L116 HydrophobicContact CD1-CD1 4.44Å; F107-L116 HydrophobicContact CE1-CB 3.74Å; F107-L116 HydrophobicContact CE1-CD1 4.14Å; F107-L116 HydrophobicContact CZ-CD1 4.45Å; F107-L116 WeakPolarHBondContact O-CB 3.38Å; F107-L116 PolarHBondContact O-N 3.49Å; F107-F121 HydrophobicContact CE1-CB 4.25Å; F107-F121 AromaticContact CE1-CD1 3.56Å; F107-F121 HydrophobicContact CE1-CD1 3.56Å; F107-F121 HydrophobicContact CE1-CE1 4.03Å; F107-F121 AromaticContact CE1-CG 3.91Å; F107-F121 HydrophobicContact CE1-CG 3.91Å; F107-F121 HydrophobicContact CZ-CB 4.39Å; F107-F121 AromaticContact CZ-CD1 3.65Å; F107-F121 HydrophobicContact CZ-CD1 3.65Å; F107-F121 HydrophobicContact CZ-CD2 4.04Å; F107-F121 AromaticContact CZ-CE1 3.83Å; F107-F121 HydrophobicContact CZ-CE1 3.83Å; F107-F121 HydrophobicContact CZ-CE2 4.21Å; F107-F121 AromaticContact CZ-CG 3.76Å; F107-F121 HydrophobicContact CZ-CG 3.76Å; F107-F121 HydrophobicContact CZ-CZ 4.11Å; F107-H128 AromaticContact CD2-CD2 3.94Å; F107-H128 HydrophobicContact CE2-CB 4.05Å; F107-H128 AromaticContact CE2-CD2 3.62Å; F107-H128 AromaticContact CE2-CG 3.85Å; F107-H128 HydrophobicContact CZ-CB 3.99Å
108R93.3Very high90.8Very high98 Ų9859.7 Ų59.737%0.3731%0.311SS..BIsolated β-bridgetrans-116.6150.5-171.2-67.8176.3-178.2-109.7-0.3112.2E105 C106 D110 Q113 E114 V115 H128E105-R108 WeakPolarHBondContact O-CG 3.35Å; E105-R108 PolarHBondContact O-NE 2.91Å; E105-R108 PolarHBondContact O-NH2 3.49Å; C106-R108 PolarHBondContact O-N 3.42Å; C106-R108 VanDerWaalsContact O-N 3.09Å; R108-D110 PolarHBondContact O-N 3.28Å; R108-Q113 WeakPolarHBondContact CD-O 3.24Å; R108-Q113 PolarHBondContact NH1-O 3.02Å; R108-E114 CarbonylContact C-O 3.56Å; R108-E114 VanDerWaalsContact CA-O 3.25Å; R108-E114 WeakPolarHBondContact CA-O 3.42Å; R108-V115 HydrophobicContact CG-CG2 4.11Å; R108-H128 PolarHBondContact O-CD2 3.46Å; R108-H128 PolarHBondContact O-NE2 2.79Å
109C93.3Very high90.7Very high0 Ų061.7 Ų61.70%032%0.321CS..  trans-60.3127.9174.1178.40000110.9L111 C112 Q113 E114 L116 C130C109-L111 PolarHBondContact O-N 3.43Å; C109-L111 VanDerWaalsContact O-N 3.08Å; C109-C112 WeakPolarHBondContact CB-SG 3.45Å; C109-C112 PolarHBondContact O-N 2.85Å; C109-C112 VanDerWaalsContact SG-SG 3.63Å; C109-Q113 VanDerWaalsContact O-CA 3.25Å; C109-Q113 WeakPolarHBondContact O-CA 3.08Å; C109-Q113 PolarHBondContact O-N 3.49Å; C109-Q113 PolarHBondContact O-NE2 3.33Å; C109-E114 PolarHBondContact N-O 2.83Å; C109-L116 HydrophobicContact CB-CD1 4.23Å; C109-L116 HydrophobicContact CB-CD2 4.08Å; C109-L116 HydrophobicContact CB-CG 4.27Å; C109-C130 HydrophobicContact CB-CB 4.23Å; C109-C130 PolarHBondContact SG-N 3.46Å
110D90.9Very high90.6Very high75 Ų7555.1 Ų55.140%0.40129%0.293SS..THydrogen-bonded Turntrans-54.2-34.3-180-168.867.1000113R108 Q113 R127 H128 L129R108-D110 PolarHBondContact O-N 3.28Å; D110-Q113 PolarHBondContact O-NE2 2.98Å; D110-Q113 VanDerWaalsContact O-NE2 3.13Å; D110-R127 HydrophobicContact CB-CB 4.38Å; D110-R127 WeakPolarHBondContact OD2-CD 3.15Å; D110-H128 PolarHBondContact N-O 2.83Å; D110-H128 VanDerWaalsContact N-O 3.16Å; D110-L129 HydrophobicContact CB-CD2 3.8Å
111L89.3Confident90.7Very high82 Ų8256.1 Ų56.143%0.42930%0.295SS..THydrogen-bonded Turntrans-89.4-46.7-178.8-67.5176.7000115.9C109 L129 C133 E137C109-L111 PolarHBondContact O-N 3.43Å; C109-L111 VanDerWaalsContact O-N 3.08Å; L111-L129 HydrophobicContact CB-CD2 4.34Å; L111-L129 HydrophobicContact CD1-CD1 4.36Å; L111-L129 HydrophobicContact CD1-CD2 3.91Å; L111-L129 HydrophobicContact CG-CD2 3.76Å; L111-C133 HydrophobicContact CB-CB 4.13Å; L111-C133 HydrophobicContact CD1-CB 3.95Å; L111-E137 HydrophobicContact CD1-CG 3.85Å
112C91.4Very high90.6Very high57 Ų5756.9 Ų56.939%0.38530%0.299SS..THydrogen-bonded Turntrans-106.1-5-174.9680000114.6C109 E114 C130C109-C112 WeakPolarHBondContact CB-SG 3.45Å; C109-C112 PolarHBondContact O-N 2.85Å; C109-C112 VanDerWaalsContact SG-SG 3.63Å; C112-E114 PolarHBondContact O-N 3.44Å; C112-E114 VanDerWaalsContact O-N 3.08Å; C112-E114 VanDerWaalsContact SG-CB 3.57Å; C112-C130 VanDerWaalsContact SG-SG 3.7Å
113Q91Very high90.4Very high101 Ų10163 Ų6347%0.47233%0.326SS..  trans6112.8179.9-58.4-62.2-40.300115.5R108 C109 D110R108-Q113 WeakPolarHBondContact CD-O 3.24Å; R108-Q113 PolarHBondContact NH1-O 3.02Å; C109-Q113 VanDerWaalsContact O-CA 3.25Å; C109-Q113 WeakPolarHBondContact O-CA 3.08Å; C109-Q113 PolarHBondContact O-N 3.49Å; C109-Q113 PolarHBondContact O-NE2 3.33Å; D110-Q113 PolarHBondContact O-NE2 2.98Å; D110-Q113 VanDerWaalsContact O-NE2 3.13Å
114E90.4Very high90.2Very high103 Ų10363.2 Ų63.248%0.48133%0.328SS..  trans-72.3141174.2-167.7173.9-166.800110.8R108 C109 C112 L116 I119R108-E114 CarbonylContact C-O 3.56Å; R108-E114 VanDerWaalsContact CA-O 3.25Å; R108-E114 WeakPolarHBondContact CA-O 3.42Å; C109-E114 PolarHBondContact N-O 2.83Å; C112-E114 PolarHBondContact O-N 3.44Å; C112-E114 VanDerWaalsContact O-N 3.08Å; C112-E114 VanDerWaalsContact SG-CB 3.57Å; E114-L116 PolarHBondContact O-N 3.19Å; E114-I119 HydrophobicContact CG-CD1 3.86Å; E114-I119 WeakPolarHBondContact OE1-CD1 3.22Å
115V92.5Very high89.8Confident44 Ų4466.3 Ų66.327%0.26736%0.356SS..BIsolated β-bridgetrans-69.9123.6-178.3173.10000110.4P104 R108 A117 I119P104-V115 WeakPolarHBondContact O-CG1 3.19Å; R108-V115 HydrophobicContact CG-CG2 4.11Å; V115-A117 HydrophobicContact CG1-CB 3.92Å; V115-I119 VanDerWaalsContact O-CD1 3.29Å; V115-I119 WeakPolarHBondContact O-CD1 3.46Å
116L92.8Very high89.4Confident2 Ų262 Ų621%0.0135%0.349CS..  trans-93.4-5.2-173.7-64.6172.4000113.9F107 C109 E114 D118 I119 G120 F121 H128 C130F107-L116 HydrophobicContact CD1-CB 3.61Å; F107-L116 HydrophobicContact CD1-CD1 4.44Å; F107-L116 HydrophobicContact CE1-CB 3.74Å; F107-L116 HydrophobicContact CE1-CD1 4.14Å; F107-L116 HydrophobicContact CZ-CD1 4.45Å; F107-L116 WeakPolarHBondContact O-CB 3.38Å; F107-L116 PolarHBondContact O-N 3.49Å; C109-L116 HydrophobicContact CB-CD1 4.23Å; C109-L116 HydrophobicContact CB-CD2 4.08Å; C109-L116 HydrophobicContact CB-CG 4.27Å; E114-L116 PolarHBondContact O-N 3.19Å; L116-D118 PolarHBondContact O-N 2.82Å; L116-D118 VanDerWaalsContact O-N 3.13Å; L116-I119 PolarHBondContact O-N 3.23Å; L116-G120 PolarHBondContact O-N 2.98Å; L116-F121 HydrophobicContact CB-CB 4.38Å; L116-F121 HydrophobicContact CD1-CB 3.77Å; L116-F121 HydrophobicContact CD2-CB 4.4Å; L116-F121 HydrophobicContact CG-CB 4.42Å; L116-H128 HydrophobicContact CD1-CB 4.28Å; L116-C130 HydrophobicContact CD2-CB 3.62Å
117A87.8Confident89.3Confident18 Ų1864.1 Ų64.115%0.14935%0.353CS..THydrogen-bonded Turntrans-54.2-35.4-172.100000113.8R93 I95 P104 V115R93-A117 PolarHBondContact NH2-O 2.91Å; I95-A117 HydrophobicContact CD1-CB 4.07Å; I95-A117 HydrophobicContact CG1-CB 4.28Å; P104-A117 HydrophobicContact CB-CB 3.86Å; V115-A117 HydrophobicContact CG1-CB 3.92Å
118D85.3Confident89.2Confident125 Ų12565 Ų6567%0.66836%0.357SS*.THydrogen-bonded Turntrans-114.3-15.9-177.1-56.5-47.3000113.4R93 L116R93-D118 IonicContact CZ-OD1 3.78Å; R93-D118 VanDerWaalsContact CZ-OD1 3.28Å; R93-D118 IonicContact NH1-OD1 3.28Å; R93-D118 PolarHBondContact NH1-OD1 3.43Å; R93-D118 IonicContact NH1-OD2 2.76Å; R93-D118 IonicContact NH2-OD1 3.95Å; R93-D118 PolarHBondContact NH2-OD1 3.48Å; L116-D118 PolarHBondContact O-N 2.82Å; L116-D118 VanDerWaalsContact O-N 3.13Å
119I83.9Confident89.1Confident84 Ų8460.3 Ų60.343%0.43134%0.34SS..THydrogen-bonded Turntrans-87.1-27.8-178.4-53.5177.3000111.1E114 V115 L116E114-I119 HydrophobicContact CG-CD1 3.86Å; E114-I119 WeakPolarHBondContact OE1-CD1 3.22Å; V115-I119 VanDerWaalsContact O-CD1 3.29Å; V115-I119 WeakPolarHBondContact O-CD1 3.46Å; L116-I119 PolarHBondContact O-N 3.23Å
120G84.4Confident89Confident31 Ų3160.4 Ų60.432%0.3234%0.34SS..  trans80.2164.4-170.800000112.7L116L116-G120 PolarHBondContact O-N 2.98Å
121F92.2Very high88.9Confident77 Ų7765 Ų6534%0.33835%0.352SS..  trans-139.1163.3-171.577.6-79.6000112.5A97 M98 F107 L116 H128 L129A97-F121 HydrophobicContact CB-CE1 3.88Å; A97-F121 HydrophobicContact CB-CZ 3.81Å; M98-F121 HydrophobicContact CG-CE2 4.08Å; M98-F121 HydrophobicContact CG-CZ 4.47Å; F107-F121 HydrophobicContact CE1-CB 4.25Å; F107-F121 AromaticContact CE1-CD1 3.56Å; F107-F121 HydrophobicContact CE1-CD1 3.56Å; F107-F121 HydrophobicContact CE1-CE1 4.03Å; F107-F121 AromaticContact CE1-CG 3.91Å; F107-F121 HydrophobicContact CE1-CG 3.91Å; F107-F121 HydrophobicContact CZ-CB 4.39Å; F107-F121 AromaticContact CZ-CD1 3.65Å; F107-F121 HydrophobicContact CZ-CD1 3.65Å; F107-F121 HydrophobicContact CZ-CD2 4.04Å; F107-F121 AromaticContact CZ-CE1 3.83Å; F107-F121 HydrophobicContact CZ-CE1 3.83Å; F107-F121 HydrophobicContact CZ-CE2 4.21Å; F107-F121 AromaticContact CZ-CG 3.76Å; F107-F121 HydrophobicContact CZ-CG 3.76Å; F107-F121 HydrophobicContact CZ-CZ 4.11Å; L116-F121 HydrophobicContact CB-CB 4.38Å; L116-F121 HydrophobicContact CD1-CB 3.77Å; L116-F121 HydrophobicContact CD2-CB 4.4Å; L116-F121 HydrophobicContact CG-CB 4.42Å; F121-H128 HydrophobicContact CD2-CB 3.83Å; F121-H128 HydrophobicContact CE2-CB 4.39Å; F121-H128 HydrophobicContact CG-CB 4.49Å; F121-L129 WeakPolarHBondContact CA-O 3.29Å
122V90.9Very high88.8Confident42 Ų4263 Ų6326%0.25534%0.344SS..EExtended strand (participates in β ladder)trans-119.9133.7170.9-176.50000108.6L129 R131 H134V122-L129 PolarHBondContact N-O 3.02Å; V122-L129 PolarHBondContact O-N 3.2Å; V122-R131 HydrophobicContact CG2-CG 4Å; V122-H134 HydrophobicContact CB-CB 4.3Å
123K89.7Confident88.6Confident139 Ų13960.6 Ų60.660%0.60433%0.328SS*.EExtended strand (participates in β ladder)trans-82118.8174.3-174.5179.2177.5-178.20109.3M98 R127M98-K123 HydrophobicContact CE-CD 4.19Å; M98-K123 HydrophobicContact CE-CG 4.01Å; K123-R127 CarbonylContact C-O 3.53Å; K123-R127 WeakPolarHBondContact CA-O 3.2Å
124N86.6Confident88.6Confident45 Ų4557.5 Ų57.524%0.24131%0.313CS..EExtended strand (participates in β ladder)trans-128110.6176.7-170.827.8000110.5G126 R127 L129 E137N124-G126 PolarHBondContact O-N 3.47Å; N124-G126 VanDerWaalsContact O-N 3.15Å; N124-R127 PolarHBondContact N-O 3.02Å; N124-R127 WeakPolarHBondContact O-CB 3.26Å; N124-R127 PolarHBondContact O-N 2.74Å; N124-L129 HydrophobicContact CB-CD1 3.79Å; N124-L129 HydrophobicContact CB-CG 4.47Å; N124-E137 PolarHBondContact ND2-OE2 3.01Å
125A83.7Confident88.4Confident95 Ų9554.5 Ų54.579%0.78530%0.3SS*.THydrogen-bonded Turntrans48.940.6178.800000114.5R127A125-R127 VanDerWaalsContact C-N 3.33Å; A125-R127 PolarHBondContact O-N 2.9Å
126G83.9Confident88Confident50 Ų5058.2 Ų58.252%0.51531%0.31SS..THydrogen-bonded Turntrans83.70.6-178.200000115.3M98 N124M98-G126 VanDerWaalsContact CE-C 3.43Å; M98-G126 WeakPolarHBondContact CE-O 3.45Å; N124-G126 PolarHBondContact O-N 3.47Å; N124-G126 VanDerWaalsContact O-N 3.15Å
127R88.6Confident87.7Confident76 Ų7660.8 Ų60.829%0.28732%0.322SS..EExtended strand (participates in β ladder)trans-99.9152.4171.9-60.2177.7-70.71614.5111.4D110 K123 N124 A125 L129 E137D110-R127 HydrophobicContact CB-CB 4.38Å; D110-R127 WeakPolarHBondContact OD2-CD 3.15Å; K123-R127 CarbonylContact C-O 3.53Å; K123-R127 WeakPolarHBondContact CA-O 3.2Å; N124-R127 PolarHBondContact N-O 3.02Å; N124-R127 WeakPolarHBondContact O-CB 3.26Å; N124-R127 PolarHBondContact O-N 2.74Å; A125-R127 VanDerWaalsContact C-N 3.33Å; A125-R127 PolarHBondContact O-N 2.9Å; R127-L129 HydrophobicContact CB-CD2 4.41Å; R127-L129 HydrophobicContact CB-CG 4.42Å; R127-E137 IonicContact CZ-OE1 2.78Å; R127-E137 VanDerWaalsContact CZ-OE1 3.28Å; R127-E137 IonicContact CZ-OE2 3.28Å; R127-E137 IonicContact NH1-OE1 3.78Å; R127-E137 PolarHBondContact NH1-OE1 2.89Å; R127-E137 IonicContact NH1-OE2 2.86Å; R127-E137 IonicContact NH2-OE1 2.76Å; R127-E137 PolarHBondContact NH2-OE1 3.16Å; R127-E137 IonicContact NH2-OE2 2.81Å; R127-E137 PolarHBondContact NH2-OE2 2.99Å
128H90.8Very high87.5Confident21 Ų2165.5 Ų65.510%0.09734%0.339CS..EExtended strand (participates in β ladder)trans-106.6109.5174.343.9-68.9000108.8M98 F107 R108 D110 L116 F121M98-H128 HydrophobicContact SD-CB 3.68Å; F107-H128 AromaticContact CD2-CD2 3.94Å; F107-H128 HydrophobicContact CE2-CB 4.05Å; F107-H128 AromaticContact CE2-CD2 3.62Å; F107-H128 AromaticContact CE2-CG 3.85Å; F107-H128 HydrophobicContact CZ-CB 3.99Å; R108-H128 PolarHBondContact O-CD2 3.46Å; R108-H128 PolarHBondContact O-NE2 2.79Å; D110-H128 PolarHBondContact N-O 2.83Å; D110-H128 VanDerWaalsContact N-O 3.16Å; L116-H128 HydrophobicContact CD1-CB 4.28Å; F121-H128 HydrophobicContact CD2-CB 3.83Å; F121-H128 HydrophobicContact CE2-CB 4.39Å; F121-H128 HydrophobicContact CG-CB 4.49Å
129L92Very high87.4Confident0 Ų059.6 Ų59.60%031%0.307CS..EExtended strand (participates in β ladder)trans-114.7146.9-175-59178.9000110.4D110 L111 F121 V122 N124 R127 C133 H134 E137D110-L129 HydrophobicContact CB-CD2 3.8Å; L111-L129 HydrophobicContact CB-CD2 4.34Å; L111-L129 HydrophobicContact CD1-CD1 4.36Å; L111-L129 HydrophobicContact CD1-CD2 3.91Å; L111-L129 HydrophobicContact CG-CD2 3.76Å; F121-L129 WeakPolarHBondContact CA-O 3.29Å; V122-L129 PolarHBondContact N-O 3.02Å; V122-L129 PolarHBondContact O-N 3.2Å; N124-L129 HydrophobicContact CB-CD1 3.79Å; N124-L129 HydrophobicContact CB-CG 4.47Å; R127-L129 HydrophobicContact CB-CD2 4.41Å; R127-L129 HydrophobicContact CB-CG 4.42Å; L129-C133 HydrophobicContact CB-CB 4.48Å; L129-H134 HydrophobicContact CB-CB 4.12Å; L129-H134 HydrophobicContact CD1-CB 4.33Å; L129-E137 WeakPolarHBondContact CD1-OE2 3.38Å
130C91.5Very high87.2Confident2 Ų265.3 Ų65.31%0.01432%0.324CS..  trans-66.2154.6163.871.30000109.4C109 C112 L116 P132 C133 H134C109-C130 HydrophobicContact CB-CB 4.23Å; C109-C130 PolarHBondContact SG-N 3.46Å; C112-C130 VanDerWaalsContact SG-SG 3.7Å; L116-C130 HydrophobicContact CD2-CB 3.62Å; C130-P132 VanDerWaalsContact C-N 3.34Å; C130-C133 PolarHBondContact O-N 2.95Å; C130-C133 VanDerWaalsContact O-N 3.16Å; C130-C133 WeakPolarHBondContact SG-CB 3.43Å; C130-C133 PolarHBondContact SG-N 3.21Å; C130-C133 VanDerWaalsContact SG-N 3.4Å; C130-C133 PolarHBondContact SG-SG 3.09Å; C130-H134 PolarHBondContact O-N 3Å
131R87.8Confident87Confident170 Ų17067.1 Ų67.164%0.64234%0.343SS*.Hα-helixtrans-53.4-44.4178.9-64.5178.1179.4-173.1-0112.6V122 C133 H134 N135V122-R131 HydrophobicContact CG2-CG 4Å; R131-C133 PolarHBondContact O-N 3.48Å; R131-H134 PolarHBondContact O-N 2.77Å; R131-N135 WeakPolarHBondContact O-CB 3.29Å; R131-N135 PolarHBondContact O-N 2.81Å; R131-N135 PolarHBondContact O-ND2 3.11Å
132P87.5Confident86.5Confident41 Ų4168.6 Ų68.627%0.26635%0.354SS..Hα-helixtrans-58.5-45.7175.5-26.535.1000114.2C130 N135 R136 H151C130-P132 VanDerWaalsContact C-N 3.34Å; P132-N135 PolarHBondContact O-N 2.95Å; P132-R136 WeakPolarHBondContact O-CB 3.41Å; P132-R136 PolarHBondContact O-N 3.36Å; P132-H151 HydrophobicContact CB-CB 4.07Å; P132-H151 HydrophobicContact CG-CB 4.1Å
133C88.1Confident86Confident7 Ų769.8 Ų69.85%0.04737%0.374CS..Hα-helixtrans-68-40.4179.6-800000112.3L111 L129 C130 R131 R136 E137L111-C133 HydrophobicContact CB-CB 4.13Å; L111-C133 HydrophobicContact CD1-CB 3.95Å; L129-C133 HydrophobicContact CB-CB 4.48Å; C130-C133 PolarHBondContact O-N 2.95Å; C130-C133 VanDerWaalsContact O-N 3.16Å; C130-C133 WeakPolarHBondContact SG-CB 3.43Å; C130-C133 PolarHBondContact SG-N 3.21Å; C130-C133 VanDerWaalsContact SG-N 3.4Å; C130-C133 PolarHBondContact SG-SG 3.09Å; R131-C133 PolarHBondContact O-N 3.48Å; C133-R136 PolarHBondContact O-N 3.32Å; C133-E137 PolarHBondContact O-N 3.11Å; C133-E137 VanDerWaalsContact O-N 3.08Å
134H89.4Confident85.9Confident36 Ų3666.7 Ų66.717%0.16736%0.361CS..Hα-helixtrans-61.4-47174.4-179.859.7000111.7V122 L129 C130 R131 R136 E137 K138V122-H134 HydrophobicContact CB-CB 4.3Å; L129-H134 HydrophobicContact CB-CB 4.12Å; L129-H134 HydrophobicContact CD1-CB 4.33Å; C130-H134 PolarHBondContact O-N 3Å; R131-H134 PolarHBondContact O-N 2.77Å; H134-R136 PolarHBondContact O-N 3.31Å; H134-E137 PolarHBondContact O-N 3.03Å; H134-K138 PolarHBondContact O-N 3.42Å
135N86.9Confident85.9Confident39 Ų3970.8 Ų70.821%0.20937%0.373CS..Hα-helixtrans-60.6-35.5176.3-71.7-11.1000111.5R131 P132 K138 A139 H151 I153R131-N135 WeakPolarHBondContact O-CB 3.29Å; R131-N135 PolarHBondContact O-N 2.81Å; R131-N135 PolarHBondContact O-ND2 3.11Å; P132-N135 PolarHBondContact O-N 2.95Å; N135-K138 PolarHBondContact O-N 3.48Å; N135-A139 WeakPolarHBondContact O-CB 3.42Å; N135-A139 PolarHBondContact O-N 2.96Å; N135-H151 PolarHBondContact ND2-O 3.32Å; N135-I153 HydrophobicContact CB-CD1 4.44Å; N135-I153 HydrophobicContact CB-CG1 4Å
136R84.7Confident86.2Confident122 Ų12268 Ų6846%0.4635%0.345SS..Hα-helixtrans-66.8-44177.7-171.8179.8-63.2163.51.5113.9P132 C133 H134 R140 I146P132-R136 WeakPolarHBondContact O-CB 3.41Å; P132-R136 PolarHBondContact O-N 3.36Å; C133-R136 PolarHBondContact O-N 3.32Å; H134-R136 PolarHBondContact O-N 3.31Å; R136-R140 WeakPolarHBondContact O-CG 3.45Å; R136-R140 PolarHBondContact O-N 3.46Å; R136-R140 VanDerWaalsContact O-N 3.1Å; R136-I146 HydrophobicContact CB-CD1 3.49Å; R136-I146 VanDerWaalsContact CB-CD1 3.49Å; R136-I146 HydrophobicContact CG-CD1 3.6Å
137E85.5Confident86.5Confident56 Ų5665.6 Ų65.626%0.26232%0.32SS..Hα-helixtrans-63-43.9173.3-74.9-167.8134.900111.4L111 N124 R127 L129 C133 H134 R140 G141L111-E137 HydrophobicContact CD1-CG 3.85Å; N124-E137 PolarHBondContact ND2-OE2 3.01Å; R127-E137 IonicContact CZ-OE1 2.78Å; R127-E137 VanDerWaalsContact CZ-OE1 3.28Å; R127-E137 IonicContact CZ-OE2 3.28Å; R127-E137 IonicContact NH1-OE1 3.78Å; R127-E137 PolarHBondContact NH1-OE1 2.89Å; R127-E137 IonicContact NH1-OE2 2.86Å; R127-E137 IonicContact NH2-OE1 2.76Å; R127-E137 PolarHBondContact NH2-OE1 3.16Å; R127-E137 IonicContact NH2-OE2 2.81Å; R127-E137 PolarHBondContact NH2-OE2 2.99Å; L129-E137 WeakPolarHBondContact CD1-OE2 3.38Å; C133-E137 PolarHBondContact O-N 3.11Å; C133-E137 VanDerWaalsContact O-N 3.08Å; H134-E137 PolarHBondContact O-N 3.03Å; E137-R140 PolarHBondContact O-N 3.16Å; E137-G141 PolarHBondContact O-N 3.26Å; E137-G141 VanDerWaalsContact O-N 3.12Å
138K84.4Confident86.5Confident117 Ų11766.6 Ų66.651%0.50933%0.328SS..Hα-helixtrans-64.9-41.9179.8-171.9176.2179.5-175.40112.4H134 N135 G141 L142 I153H134-K138 PolarHBondContact O-N 3.42Å; N135-K138 PolarHBondContact O-N 3.48Å; K138-G141 PolarHBondContact O-N 2.96Å; K138-L142 HydrophobicContact CG-CD1 4.15Å; K138-L142 WeakPolarHBondContact O-CG 3.24Å; K138-L142 PolarHBondContact O-N 2.92Å; K138-I153 HydrophobicContact CB-CD1 3.95Å; K138-I153 HydrophobicContact CD-CD1 3.81Å; K138-I153 HydrophobicContact CG-CD1 3.88Å
139A82.2Confident86.3Confident1 Ų171.5 Ų71.51%0.00835%0.349CS..Hα-helixtrans-63.5-43.1176.900000111.8N135 G141 L142 G143 K144 I146 I153N135-A139 WeakPolarHBondContact O-CB 3.42Å; N135-A139 PolarHBondContact O-N 2.96Å; A139-G141 VanDerWaalsContact C-N 3.32Å; A139-G141 PolarHBondContact O-N 2.88Å; A139-L142 CarbonylContact O-C 3.5Å; A139-L142 PolarHBondContact O-N 3.48Å; A139-L142 VanDerWaalsContact O-N 3.16Å; A139-G143 PolarHBondContact O-N 3.33Å; A139-K144 WeakPolarHBondContact CB-O 3.32Å; A139-K144 PolarHBondContact O-N 3.42Å; A139-I146 HydrophobicContact CB-CD1 4.25Å; A139-I146 HydrophobicContact CB-CG1 3.72Å; A139-I153 HydrophobicContact CB-CG1 4.35Å
140R80.6Confident86.1Confident204 Ų20474.1 Ų74.177%0.7737%0.367SS*.Hα-helixtrans-58.9-41.3174.4-78-179.9176.3-174.2-1.3112.5R136 E137 L142 G143R136-R140 WeakPolarHBondContact O-CG 3.45Å; R136-R140 PolarHBondContact O-N 3.46Å; R136-R140 VanDerWaalsContact O-N 3.1Å; E137-R140 PolarHBondContact O-N 3.16Å; R140-L142 VanDerWaalsContact C-N 3.29Å; R140-L142 PolarHBondContact O-N 3.06Å; R140-G143 PolarHBondContact O-N 3.33Å
141G80.4Confident85.8Confident70 Ų7077.8 Ų77.872%0.72238%0.384SS*.Hα-helixtrans-67-27.6177.800000114.1E137 K138 A139E137-G141 PolarHBondContact O-N 3.26Å; E137-G141 VanDerWaalsContact O-N 3.12Å; K138-G141 PolarHBondContact O-N 2.96Å; A139-G141 VanDerWaalsContact C-N 3.32Å; A139-G141 PolarHBondContact O-N 2.88Å
142L81.2Confident85.8Confident108 Ų10871.4 Ų71.457%0.56537%0.367SS*.Hα-helixtrans-100.5-3.3-178.9-64.6171.2000113.6K138 A139 R140 K144K138-L142 HydrophobicContact CG-CD1 4.15Å; K138-L142 WeakPolarHBondContact O-CG 3.24Å; K138-L142 PolarHBondContact O-N 2.92Å; A139-L142 CarbonylContact O-C 3.5Å; A139-L142 PolarHBondContact O-N 3.48Å; A139-L142 VanDerWaalsContact O-N 3.16Å; R140-L142 VanDerWaalsContact C-N 3.29Å; R140-L142 PolarHBondContact O-N 3.06Å; L142-K144 HydrophobicContact CB-CG 3.97Å; L142-K144 PolarHBondContact O-N 2.81Å
143G81.2Confident85.7Confident66 Ų6670.5 Ų70.568%0.6836%0.36SS*.THydrogen-bonded Turntrans64.624.1-171.800000113.9A139 R140A139-G143 PolarHBondContact O-N 3.33Å; R140-G143 PolarHBondContact O-N 3.33Å
144K87.4Confident85.8Confident75 Ų7570.4 Ų70.433%0.32636%0.359SS..  trans-94.7163.1-179.5-66.5-162.2178.6-155.50112A139 L142 I153 D155A139-K144 WeakPolarHBondContact CB-O 3.32Å; A139-K144 PolarHBondContact O-N 3.42Å; L142-K144 HydrophobicContact CB-CG 3.97Å; L142-K144 PolarHBondContact O-N 2.81Å; K144-I153 HydrophobicContact CB-CG2 3.87Å; K144-I153 HydrophobicContact CD-CG2 3.87Å; K144-D155 PolarHBondContact NZ-O 3.22Å; K144-D155 IonicContact NZ-OD1 2.89Å; K144-D155 PolarHBondContact NZ-OD1 3.07Å
145Y86.9Confident85.5Confident130 Ų13074 Ų7451%0.5138%0.379SS..EExtended strand (participates in β ladder)trans-93.1159.2177.3-65.1-90.8000111.8I154 P158 P165Y145-I154 PolarHBondContact O-N 3.21Å; Y145-P158 HydrophobicContact CD2-CB 4.41Å; Y145-P158 HydrophobicContact CD2-CG 3.65Å; Y145-P158 HydrophobicContact CE2-CG 3.96Å; Y145-P158 HydrophobicContact CG-CB 4.34Å; Y145-P158 HydrophobicContact CG-CG 3.95Å; Y145-P165 HydrophobicContact CD1-CB 4.04Å; Y145-P165 HydrophobicContact CD1-CG 4.19Å; Y145-P165 HydrophobicContact CG-CB 4.35Å
146I88.3Confident85.5Confident37 Ų3779.8 Ų79.819%0.1941%0.405CS..EExtended strand (participates in β ladder)trans-114.8130.6174.4-54.7165.3000107.3R136 A139 Q148 P165R136-I146 HydrophobicContact CB-CD1 3.49Å; R136-I146 VanDerWaalsContact CB-CD1 3.49Å; R136-I146 HydrophobicContact CG-CD1 3.6Å; A139-I146 HydrophobicContact CB-CD1 4.25Å; A139-I146 HydrophobicContact CB-CG1 3.72Å; I146-Q148 PolarHBondContact O-N 2.81Å; I146-P165 WeakPolarHBondContact O-CG 3.44Å
147C90.6Very high85.7Confident0 Ų080.5 Ų80.50%041%0.414CS..  trans-70.6129.1176.51740000111.2K149 C150 H151 A152 I154 P165 H167 H170C147-K149 VanDerWaalsContact C-N 3.26Å; C147-K149 PolarHBondContact O-N 3.39Å; C147-K149 PolarHBondContact SG-N 3.3Å; C147-K149 VanDerWaalsContact SG-N 3.44Å; C147-C150 VanDerWaalsContact CB-SG 3.56Å; C147-H151 WeakPolarHBondContact O-CA 3.3Å; C147-H151 PolarHBondContact O-N 3.42Å; C147-A152 PolarHBondContact N-O 3.4Å; C147-I154 HydrophobicContact CB-CD1 4.02Å; C147-I154 HydrophobicContact CB-CG1 3.89Å; C147-P165 WeakPolarHBondContact CA-O 3.49Å; C147-H167 WeakPolarHBondContact CB-CE1 3.11Å; C147-H167 WeakPolarHBondContact CB-ND1 3.39Å; C147-H167 PolarHBondContact SG-N 3.12Å; C147-H167 VanDerWaalsContact SG-N 3.41Å; C147-H167 PolarHBondContact SG-ND1 2.9Å; C147-H170 PolarHBondContact SG-CD2 2.92Å
148Q88.6Confident85.9Confident97 Ų9778.9 Ų78.945%0.45341%0.408SS..THydrogen-bonded Turntrans-72-18.7-178.6-170.963.76.500113.4I146 D164 P165 Y166I146-Q148 PolarHBondContact O-N 2.81Å; Q148-D164 HydrophobicContact CB-CB 4.35Å; Q148-D164 HydrophobicContact CG-CB 4.47Å; Q148-P165 PolarHBondContact N-O 2.8Å; Q148-Y166 HydrophobicContact CB-CD1 4.16Å; Q148-Y166 HydrophobicContact CB-CE1 3.62Å; Q148-Y166 HydrophobicContact CG-CE1 4.31Å
149K87.7Confident86.3Confident124 Ų12473.4 Ų73.454%0.53938%0.384SS..THydrogen-bonded Turntrans-86-43.5178.8-168.9-177.8-173.7-1760113C147 Y166 H170C147-K149 VanDerWaalsContact C-N 3.26Å; C147-K149 PolarHBondContact O-N 3.39Å; C147-K149 PolarHBondContact SG-N 3.3Å; C147-K149 VanDerWaalsContact SG-N 3.44Å; K149-Y166 HydrophobicContact CB-CD1 3.86Å; K149-Y166 HydrophobicContact CB-CE1 4.07Å; K149-H170 HydrophobicContact CD-CB 3.79Å; K149-H170 PolarHBondContact NZ-O 3.4Å
150C87.9Confident86.7Confident54 Ų5477.6 Ų77.637%0.36541%0.406SS..THydrogen-bonded Turntrans-111.6-7.4-174.2710000114.4C147 A152 H167 H170C147-C150 VanDerWaalsContact CB-SG 3.56Å; C150-A152 PolarHBondContact O-N 3.33Å; C150-A152 VanDerWaalsContact O-N 3.09Å; C150-H167 PolarHBondContact SG-CE1 2.9Å; C150-H167 PolarHBondContact SG-ND1 3.32Å; C150-H170 WeakPolarHBondContact CB-NE2 3.47Å; C150-H170 PolarHBondContact SG-NE2 2.89Å; C150-H170 VanDerWaalsContact SG-NE2 3.35Å
151H84.8Confident87.2Confident79 Ų7969.2 Ų69.237%0.36638%0.375SS..  trans58.416.7-177.2-48.9109.1000114.9P132 N135 C147P132-H151 HydrophobicContact CB-CB 4.07Å; P132-H151 HydrophobicContact CG-CB 4.1Å; N135-H151 PolarHBondContact ND2-O 3.32Å; C147-H151 WeakPolarHBondContact O-CA 3.3Å; C147-H151 PolarHBondContact O-N 3.42Å
152A86.6Confident87.6Confident36 Ų3672.4 Ų72.430%0.29837%0.369SS..  trans-90159.1172.100000111.1C147 C150C147-A152 PolarHBondContact N-O 3.4Å; C150-A152 PolarHBondContact O-N 3.33Å; C150-A152 VanDerWaalsContact O-N 3.09Å
153I86.8Confident87.8Confident23 Ų2374.5 Ų74.512%0.11838%0.38CS..EExtended strand (participates in β ladder)trans-70138.3177.1-56.8178.6000108.6N135 K138 A139 K144 H167N135-I153 HydrophobicContact CB-CD1 4.44Å; N135-I153 HydrophobicContact CB-CG1 4Å; K138-I153 HydrophobicContact CB-CD1 3.95Å; K138-I153 HydrophobicContact CD-CD1 3.81Å; K138-I153 HydrophobicContact CG-CD1 3.88Å; A139-I153 HydrophobicContact CB-CG1 4.35Å; K144-I153 HydrophobicContact CB-CG2 3.87Å; K144-I153 HydrophobicContact CD-CG2 3.87Å; I153-H167 PolarHBondContact O-NE2 2.94Å
154I88.8Confident88.3Confident4 Ų474.5 Ų74.52%0.02137%0.365CS..EExtended strand (participates in β ladder)trans-91.1112.5173-52.3174.2000106.9Y145 C147 E156 P158 P165Y145-I154 PolarHBondContact O-N 3.21Å; C147-I154 HydrophobicContact CB-CD1 4.02Å; C147-I154 HydrophobicContact CB-CG1 3.89Å; I154-E156 VanDerWaalsContact CG2-O 3.28Å; I154-E156 WeakPolarHBondContact CG2-O 3.48Å; I154-P158 HydrophobicContact CD1-CB 3.76Å; I154-P158 HydrophobicContact CG2-CB 4.33Å; I154-P165 HydrophobicContact CD1-CB 4.13Å
155D84.7Confident88.5Confident112 Ų11272.1 Ų72.160%0.59936%0.357SS*.  trans-78-34.3-177.8-78.1-49.1000113.3K144K144-D155 PolarHBondContact NZ-O 3.22Å; K144-D155 IonicContact NZ-OD1 2.89Å; K144-D155 PolarHBondContact NZ-OD1 3.07Å
156E85.6Confident88.8Confident160 Ų16067.6 Ų67.675%0.74834%0.34SS*.SBendtrans-97.5-171.6179.2-63.6-59.8144.800111.7I154I154-E156 VanDerWaalsContact CG2-O 3.28Å; I154-E156 WeakPolarHBondContact CG2-O 3.48Å
157Q88.4Confident89Confident138 Ų13867.3 Ų67.365%0.64534%0.337SS*.PPolyproline II helixtrans-63.8128.3175.9-160.7167.320.800111A182Q157-A182 HydrophobicContact CB-CB 3.77Å; Q157-A182 HydrophobicContact CG-CB 4.01Å; Q157-A182 WeakPolarHBondContact O-CB 3.32Å
158P91.4Very high89.1Confident21 Ų2168.3 Ų68.314%0.13634%0.344CS..PPolyproline II helixtrans-73.4145.5-178.731.7-37.1000111Y145 I154 I160 P165Y145-P158 HydrophobicContact CD2-CB 4.41Å; Y145-P158 HydrophobicContact CD2-CG 3.65Å; Y145-P158 HydrophobicContact CE2-CG 3.96Å; Y145-P158 HydrophobicContact CG-CB 4.34Å; Y145-P158 HydrophobicContact CG-CG 3.95Å; I154-P158 HydrophobicContact CD1-CB 3.76Å; I154-P158 HydrophobicContact CG2-CB 4.33Å; P158-I160 HydrophobicContact CB-CD1 4.26Å; P158-I160 HydrophobicContact CG-CD1 4.13Å; P158-P165 HydrophobicContact CB-CB 4.03Å
159L92.6Very high89.1Confident3 Ų367.7 Ų67.72%0.01634%0.344CS..EExtended strand (participates in β ladder)trans-82121.5162.4178.163.9000108.3Y166 P168 F171 L180 A184 L191L159-Y166 PolarHBondContact N-O 3.38Å; L159-Y166 PolarHBondContact O-N 2.89Å; L159-P168 HydrophobicContact CB-CB 4.36Å; L159-P168 HydrophobicContact CB-CG 4.1Å; L159-F171 HydrophobicContact CD2-CB 4.36Å; L159-F171 HydrophobicContact CD2-CD2 3.77Å; L159-F171 HydrophobicContact CD2-CE2 4.39Å; L159-F171 HydrophobicContact CD2-CG 4.27Å; L159-L180 HydrophobicContact CD2-CB 4.45Å; L159-L180 HydrophobicContact CD2-CD1 4.42Å; L159-A184 HydrophobicContact CD1-CB 3.77Å; L159-L191 HydrophobicContact CD2-CD1 4.08Å
160I90.6Very high89.4Confident88 Ų8864 Ų6445%0.45133%0.328SS..EExtended strand (participates in β ladder)trans-91.4119.5175-53-56000108.9P158 D164 P165P158-I160 HydrophobicContact CB-CD1 4.26Å; P158-I160 HydrophobicContact CG-CD1 4.13Å; I160-D164 WeakPolarHBondContact CA-O 3.32Å; I160-P165 HydrophobicContact CD1-CB 3.99Å
161F91.1Very high89.6Confident29 Ų2963.1 Ų63.113%0.12732%0.318CS..EExtended strand (participates in β ladder)trans-129.8126.2175179.9-125.7000109.2N163 D164 Y166 F171 E186 L191F161-N163 PolarHBondContact O-N 3.32Å; F161-D164 PolarHBondContact N-O 3.29Å; F161-D164 PolarHBondContact O-N 3.31Å; F161-Y166 HydrophobicContact CB-CD2 4Å; F161-Y166 HydrophobicContact CB-CE2 4.03Å; F161-Y166 HydrophobicContact CD1-CE2 4.48Å; F161-F171 HydrophobicContact CD1-CE1 4.01Å; F161-F171 HydrophobicContact CD1-CZ 4.1Å; F161-F171 HydrophobicContact CE1-CE1 4.32Å; F161-E186 HydrophobicContact CD2-CG 4.36Å; F161-E186 HydrophobicContact CE2-CG 4.11Å; F161-L191 HydrophobicContact CB-CD1 4.23Å; F161-L191 HydrophobicContact CD1-CD1 4.29Å; F161-L191 HydrophobicContact CD2-CD1 3.81Å; F161-L191 HydrophobicContact CD2-CD2 3.66Å; F161-L191 HydrophobicContact CD2-CG 3.67Å; F161-L191 HydrophobicContact CE2-CD1 4.18Å; F161-L191 HydrophobicContact CE2-CD2 4.18Å; F161-L191 HydrophobicContact CE2-CG 3.82Å; F161-L191 HydrophobicContact CG-CD1 3.86Å; F161-L191 HydrophobicContact CG-CD2 4.34Å; F161-L191 HydrophobicContact CG-CG 4.25Å
162K87.9Confident90.1Very high137 Ų13763.7 Ų63.760%0.59632%0.324SS*.THydrogen-bonded Turntrans51.737-175-58.1-178.1176179.60114D164K162-D164 PolarHBondContact O-N 3.11Å
163N86.3Confident90.4Very high151 Ų15162.1 Ų62.181%0.80731%0.311SS*.THydrogen-bonded Turntrans70.32.5-175.7-55.2-44.5000116.7F161F161-N163 PolarHBondContact O-N 3.32Å
164D91.4Very high90.6Very high66 Ų6663.7 Ų63.735%0.35333%0.327SS..EExtended strand (participates in β ladder)trans-103.3143.2176.3-70.7-42.8000111.3Q148 I160 F161 K162 Y166Q148-D164 HydrophobicContact CB-CB 4.35Å; Q148-D164 HydrophobicContact CG-CB 4.47Å; I160-D164 WeakPolarHBondContact CA-O 3.32Å; F161-D164 PolarHBondContact N-O 3.29Å; F161-D164 PolarHBondContact O-N 3.31Å; K162-D164 PolarHBondContact O-N 3.11Å; D164-Y166 HydrophobicContact CB-CD2 4.38Å; D164-Y166 HydrophobicContact CB-CE2 3.51Å; D164-Y166 WeakPolarHBondContact O-CD2 3.49Å; D164-Y166 VanDerWaalsContact O-CE2 3.32Å; D164-Y166 WeakPolarHBondContact O-CE2 3.44Å
165P91.9Very high90.6Very high26 Ų2668.6 Ų68.617%0.16935%0.353CS..EExtended strand (participates in β ladder)trans-81.5136.1176.731.4-33000111.9Y145 I146 C147 Q148 I154 P158 I160Y145-P165 HydrophobicContact CD1-CB 4.04Å; Y145-P165 HydrophobicContact CD1-CG 4.19Å; Y145-P165 HydrophobicContact CG-CB 4.35Å; I146-P165 WeakPolarHBondContact O-CG 3.44Å; C147-P165 WeakPolarHBondContact CA-O 3.49Å; Q148-P165 PolarHBondContact N-O 2.8Å; I154-P165 HydrophobicContact CD1-CB 4.13Å; P158-P165 HydrophobicContact CB-CB 4.03Å; I160-P165 HydrophobicContact CD1-CB 3.99Å
166Y93.2Very high90.9Very high35 Ų3565.9 Ų65.914%0.13734%0.343CS..EExtended strand (participates in β ladder)trans-138.2160.7176.1-60.6-93.9000112Q148 K149 L159 F161 D164 F171Q148-Y166 HydrophobicContact CB-CD1 4.16Å; Q148-Y166 HydrophobicContact CB-CE1 3.62Å; Q148-Y166 HydrophobicContact CG-CE1 4.31Å; K149-Y166 HydrophobicContact CB-CD1 3.86Å; K149-Y166 HydrophobicContact CB-CE1 4.07Å; L159-Y166 PolarHBondContact N-O 3.38Å; L159-Y166 PolarHBondContact O-N 2.89Å; F161-Y166 HydrophobicContact CB-CD2 4Å; F161-Y166 HydrophobicContact CB-CE2 4.03Å; F161-Y166 HydrophobicContact CD1-CE2 4.48Å; D164-Y166 HydrophobicContact CB-CD2 4.38Å; D164-Y166 HydrophobicContact CB-CE2 3.51Å; D164-Y166 WeakPolarHBondContact O-CD2 3.49Å; D164-Y166 VanDerWaalsContact O-CE2 3.32Å; D164-Y166 WeakPolarHBondContact O-CE2 3.44Å; Y166-F171 VanDerWaalsContact CB-CE2 3.5Å; Y166-F171 AromaticContact CD1-CE2 3.94Å; Y166-F171 HydrophobicContact CD1-CE2 3.94Å; Y166-F171 AromaticContact CD1-CZ 3.93Å; Y166-F171 HydrophobicContact CD1-CZ 3.93Å; Y166-F171 HydrophobicContact CD2-CE2 4.15Å; Y166-F171 HydrophobicContact CD2-CZ 4.16Å; Y166-F171 HydrophobicContact CE1-CZ 4.3Å; Y166-F171 AromaticContact CG-CE2 3.62Å; Y166-F171 HydrophobicContact CG-CE2 3.62Å; Y166-F171 AromaticContact CG-CZ 3.87Å; Y166-F171 HydrophobicContact CG-CZ 3.87Å
167H92.4Very high91Very high30 Ų3060.4 Ų60.414%0.13933%0.329CS..  trans-66.9134.7163.4-66.8101.1000110.6C147 C150 I153 D169 H170C147-H167 WeakPolarHBondContact CB-CE1 3.11Å; C147-H167 WeakPolarHBondContact CB-ND1 3.39Å; C147-H167 PolarHBondContact SG-N 3.12Å; C147-H167 VanDerWaalsContact SG-N 3.41Å; C147-H167 PolarHBondContact SG-ND1 2.9Å; C150-H167 PolarHBondContact SG-CE1 2.9Å; C150-H167 PolarHBondContact SG-ND1 3.32Å; I153-H167 PolarHBondContact O-NE2 2.94Å; H167-D169 VanDerWaalsContact C-N 3.31Å; H167-D169 VanDerWaalsContact CB-OD1 3.23Å; H167-D169 WeakPolarHBondContact CB-OD1 3.35Å; H167-D169 IonicContact CG-OD1 3.88Å; H167-D169 PolarHBondContact O-N 2.67Å; H167-H170 AromaticContact ND1-NE2 3.68Å; H167-H170 WeakPolarHBondContact O-CB 3.46Å; H167-H170 PolarHBondContact O-N 2.97Å
168P91.8Very high91.2Very high21 Ų2161 Ų6114%0.13633%0.329CS..G310 helixtrans-60.2-35.1177.3-24.233.4000114.4L159 H170 F171 L180 A182L159-P168 HydrophobicContact CB-CB 4.36Å; L159-P168 HydrophobicContact CB-CG 4.1Å; P168-H170 PolarHBondContact O-N 3.29Å; P168-H170 VanDerWaalsContact O-N 3.13Å; P168-F171 PolarHBondContact O-N 2.88Å; P168-L180 CarbonylContact C-O 3.6Å; P168-L180 WeakPolarHBondContact CB-O 3.45Å; P168-A182 HydrophobicContact CG-CB 4.4Å
169D90Very high91.2Very high84 Ų8466.8 Ų66.845%0.44936%0.355SS..G310 helixtrans-64.4-16.9-178.960.2-91000114H167 F171H167-D169 VanDerWaalsContact C-N 3.31Å; H167-D169 VanDerWaalsContact CB-OD1 3.23Å; H167-D169 WeakPolarHBondContact CB-OD1 3.35Å; H167-D169 IonicContact CG-OD1 3.88Å; H167-D169 PolarHBondContact O-N 2.67Å; D169-F171 PolarHBondContact O-N 3.05Å
170H92.4Very high91.3Very high46 Ų4667 Ų6721%0.21336%0.356CS..G310 helixtrans-74.7-8.5178-72.1-9.8000114.2C147 K149 C150 H167 P168C147-H170 PolarHBondContact SG-CD2 2.92Å; K149-H170 HydrophobicContact CD-CB 3.79Å; K149-H170 PolarHBondContact NZ-O 3.4Å; C150-H170 WeakPolarHBondContact CB-NE2 3.47Å; C150-H170 PolarHBondContact SG-NE2 2.89Å; C150-H170 VanDerWaalsContact SG-NE2 3.35Å; H167-H170 AromaticContact ND1-NE2 3.68Å; H167-H170 WeakPolarHBondContact O-CB 3.46Å; H167-H170 PolarHBondContact O-N 2.97Å; P168-H170 PolarHBondContact O-N 3.29Å; P168-H170 VanDerWaalsContact O-N 3.13Å
171F93.3Very high91.3Very high37 Ų3766.5 Ų66.516%0.16236%0.357CS..  trans-128.4147.2-175.9-61-86.8000111.3L159 F161 Y166 P168 D169 L180 L191L159-F171 HydrophobicContact CD2-CB 4.36Å; L159-F171 HydrophobicContact CD2-CD2 3.77Å; L159-F171 HydrophobicContact CD2-CE2 4.39Å; L159-F171 HydrophobicContact CD2-CG 4.27Å; F161-F171 HydrophobicContact CD1-CE1 4.01Å; F161-F171 HydrophobicContact CD1-CZ 4.1Å; F161-F171 HydrophobicContact CE1-CE1 4.32Å; Y166-F171 VanDerWaalsContact CB-CE2 3.5Å; Y166-F171 AromaticContact CD1-CE2 3.94Å; Y166-F171 HydrophobicContact CD1-CE2 3.94Å; Y166-F171 AromaticContact CD1-CZ 3.93Å; Y166-F171 HydrophobicContact CD1-CZ 3.93Å; Y166-F171 HydrophobicContact CD2-CE2 4.15Å; Y166-F171 HydrophobicContact CD2-CZ 4.16Å; Y166-F171 HydrophobicContact CE1-CZ 4.3Å; Y166-F171 AromaticContact CG-CE2 3.62Å; Y166-F171 HydrophobicContact CG-CE2 3.62Å; Y166-F171 AromaticContact CG-CZ 3.87Å; Y166-F171 HydrophobicContact CG-CZ 3.87Å; P168-F171 PolarHBondContact O-N 2.88Å; D169-F171 PolarHBondContact O-N 3.05Å; F171-L180 HydrophobicContact CB-CB 4.39Å; F171-L180 HydrophobicContact CB-CD1 3.65Å; F171-L180 HydrophobicContact CB-CG 4.23Å; F171-L180 PolarHBondContact O-N 2.87Å; F171-L191 HydrophobicContact CB-CD1 4.01Å; F171-L191 HydrophobicContact CD1-CD1 3.48Å; F171-L191 VanDerWaalsContact CD1-CD1 3.48Å; F171-L191 HydrophobicContact CD2-CD1 4.29Å; F171-L191 HydrophobicContact CE1-CD1 3.94Å; F171-L191 HydrophobicContact CG-CD1 3.67Å
172N94.3Very high91.3Very high91 Ų9166.3 Ų66.349%0.48736%0.361SS..BIsolated β-bridgetrans-120.4145.1177.1-63.943.7000108A174 G177 K178N172-A174 PolarHBondContact O-N 3.18Å; N172-G177 WeakPolarHBondContact CB-O 3.42Å; N172-G177 PolarHBondContact ND2-O 3.14Å; N172-K178 CarbonylContact C-O 3.51Å; N172-K178 VanDerWaalsContact CA-O 3.3Å; N172-K178 WeakPolarHBondContact CA-O 3.44Å
173C93.3Very high91.4Very high3 Ų363.7 Ų63.72%0.0235%0.354CS..  trans-59.2125.7176.3178.60000110.3N175 C176 G177 K178 L180 C193C173-N175 PolarHBondContact O-N 3.13Å; C173-N175 VanDerWaalsContact O-N 3.12Å; C173-C176 VanDerWaalsContact CB-SG 3.52Å; C173-C176 PolarHBondContact O-N 3.2Å; C173-G177 VanDerWaalsContact O-CA 3.32Å; C173-G177 WeakPolarHBondContact O-CA 3.23Å; C173-G177 PolarHBondContact O-N 3.06Å; C173-K178 PolarHBondContact N-O 3.06Å; C173-L180 HydrophobicContact CB-CD2 3.67Å; C173-C193 HydrophobicContact CB-CB 4.13Å; C173-C193 PolarHBondContact SG-N 3.29Å; C173-C193 VanDerWaalsContact SG-SG 3.63Å
174A91.4Very high91.6Very high55 Ų5556.9 Ų56.946%0.45532%0.318SS..THydrogen-bonded Turntrans-58.2-28.2178.900000113.2N172 E190 L191 Y192N172-A174 PolarHBondContact O-N 3.18Å; A174-E190 HydrophobicContact CB-CB 4.23Å; A174-L191 PolarHBondContact N-O 3.33Å; A174-Y192 HydrophobicContact CB-CD1 4.28Å; A174-Y192 HydrophobicContact CB-CE1 3.82Å
175N88.6Confident91.5Very high107 Ų10759 Ų5957%0.57232%0.321SS*.THydrogen-bonded Turntrans-87.7-40.3-179.1-175.762000114.4C173 Y192 C196C173-N175 PolarHBondContact O-N 3.13Å; C173-N175 VanDerWaalsContact O-N 3.12Å; N175-Y192 HydrophobicContact CB-CD1 3.88Å; N175-Y192 HydrophobicContact CB-CE1 3.96Å; N175-C196 HydrophobicContact CB-CB 4.03Å; N175-C196 PolarHBondContact ND2-SG 3.38Å
176C90.4Very high91.5Very high56 Ų5662.1 Ų62.138%0.37833%0.333SS..THydrogen-bonded Turntrans-120.4-3.2-171.572.20000115C173 K178 C196C173-C176 VanDerWaalsContact CB-SG 3.52Å; C173-C176 PolarHBondContact O-N 3.2Å; C176-K178 PolarHBondContact O-N 3.44Å; C176-C196 VanDerWaalsContact SG-SG 3.67Å
177G89.4Confident91.2Very high45 Ų4563.3 Ų63.346%0.46434%0.342SS..  trans69.8-2.3177.600000115.5N172 C173N172-G177 WeakPolarHBondContact CB-O 3.42Å; N172-G177 PolarHBondContact ND2-O 3.14Å; C173-G177 VanDerWaalsContact O-CA 3.32Å; C173-G177 WeakPolarHBondContact O-CA 3.23Å; C173-G177 PolarHBondContact O-N 3.06Å
178K91.6Very high90.8Very high149 Ų14971.6 Ų71.665%0.64838%0.377SS*.PPolyproline II helixtrans-68.7144.6176.9-69-173.6178.1-1740111.3N172 C173 C176N172-K178 CarbonylContact C-O 3.51Å; N172-K178 VanDerWaalsContact CA-O 3.3Å; N172-K178 WeakPolarHBondContact CA-O 3.44Å; C173-K178 PolarHBondContact N-O 3.06Å; C176-K178 PolarHBondContact O-N 3.44Å
179E92Very high90.6Very high143 Ų14372.2 Ų72.267%0.66839%0.388SS*.BIsolated β-bridgetrans-52.8137170.1-66.2174178.800110.4
180L93.6Very high90.6Very high7 Ų773.1 Ų73.14%0.03739%0.389CS..PPolyproline II helixtrans-84.5157.5-178.1-66.7-176.4000111.3L159 P168 F171 C173 A184 L191 C193L159-L180 HydrophobicContact CD2-CB 4.45Å; L159-L180 HydrophobicContact CD2-CD1 4.42Å; P168-L180 CarbonylContact C-O 3.6Å; P168-L180 WeakPolarHBondContact CB-O 3.45Å; F171-L180 HydrophobicContact CB-CB 4.39Å; F171-L180 HydrophobicContact CB-CD1 3.65Å; F171-L180 HydrophobicContact CB-CG 4.23Å; F171-L180 PolarHBondContact O-N 2.87Å; C173-L180 HydrophobicContact CB-CD2 3.67Å; L180-A184 HydrophobicContact CB-CB 3.95Å; L180-A184 HydrophobicContact CD1-CB 3.8Å; L180-A184 HydrophobicContact CD2-CB 3.91Å; L180-A184 HydrophobicContact CG-CB 4.11Å; L180-L191 HydrophobicContact CD1-CB 3.47Å; L180-L191 VanDerWaalsContact CD1-CB 3.47Å; L180-L191 HydrophobicContact CD1-CD1 4.12Å; L180-L191 HydrophobicContact CD1-CG 4.34Å; L180-C193 HydrophobicContact CD2-CB 3.68Å
181T91.2Very high90.6Very high79 Ų7971.4 Ų71.449%0.48538%0.382SS..  trans-110.5174.3169.961.20000109.3D183 A184T181-D183 PolarHBondContact O-N 3.32Å; T181-A184 WeakPolarHBondContact O-CB 3.16Å; T181-A184 PolarHBondContact O-N 3.35Å
182A90.4Very high90.5Very high25 Ų2571 Ų7121%0.20738%0.38CS..THydrogen-bonded Turntrans-57.4-20.8175.800000113.4Q157 P168 A184Q157-A182 HydrophobicContact CB-CB 3.77Å; Q157-A182 HydrophobicContact CG-CB 4.01Å; Q157-A182 WeakPolarHBondContact O-CB 3.32Å; P168-A182 HydrophobicContact CG-CB 4.4Å; A182-A184 VanDerWaalsContact C-N 3.29Å; A182-A184 PolarHBondContact O-N 3.42Å
183D89.9Confident90.4Very high82 Ų8267.5 Ų67.544%0.43936%0.362SS..THydrogen-bonded Turntrans-81.3-0.3178.2-63.3-51.8000114.7T181 R185T181-D183 PolarHBondContact O-N 3.32Å; D183-R185 PolarHBondContact O-NH1 3.22Å
184A91.4Very high90.1Very high8 Ų870.3 Ų70.37%0.06638%0.377CS..  trans-59.2153178.400000111.9L159 L180 T181 A182 Y192L159-A184 HydrophobicContact CD1-CB 3.77Å; L180-A184 HydrophobicContact CB-CB 3.95Å; L180-A184 HydrophobicContact CD1-CB 3.8Å; L180-A184 HydrophobicContact CD2-CB 3.91Å; L180-A184 HydrophobicContact CG-CB 4.11Å; T181-A184 WeakPolarHBondContact O-CB 3.16Å; T181-A184 PolarHBondContact O-N 3.35Å; A182-A184 VanDerWaalsContact C-N 3.29Å; A182-A184 PolarHBondContact O-N 3.42Å; A184-Y192 WeakPolarHBondContact CA-O 3.28Å; A184-Y192 WeakPolarHBondContact CB-O 3.19Å
185R89.8Confident89.8Confident110 Ų11071.6 Ų71.642%0.41538%0.38SS..EExtended strand (participates in β ladder)trans-121.8138.1-175.3-65.1-66.7179.6-109.11.9110D183 Y192 L194 H197D183-R185 PolarHBondContact O-NH1 3.22Å; R185-Y192 PolarHBondContact N-O 3.04Å; R185-Y192 PolarHBondContact O-N 2.97Å; R185-L194 HydrophobicContact CG-CD1 4.21Å; R185-H197 HydrophobicContact CB-CB 4.07Å; R185-H197 HydrophobicContact CG-CB 4.48Å
186E90.8Very high89.7Confident91 Ų9167 Ų6743%0.42536%0.356SS..EExtended strand (participates in β ladder)trans-87.1127.1173-173.5-179.7159.800109.5F161 E190 L191F161-E186 HydrophobicContact CD2-CG 4.36Å; F161-E186 HydrophobicContact CE2-CG 4.11Å; E186-E190 CarbonylContact C-O 3.56Å; E186-E190 WeakPolarHBondContact CA-O 3.39Å; E186-L191 HydrophobicContact CB-CD2 4.21Å
187L86.7Confident89.6Confident60 Ų6066.9 Ų66.931%0.31435%0.35SS..EExtended strand (participates in β ladder)trans-133.2119.3172.5-172.869.5000108.9G189 E190 Y192 M200L187-G189 PolarHBondContact O-N 3.4Å; L187-E190 PolarHBondContact N-O 3.33Å; L187-E190 PolarHBondContact O-N 3.44Å; L187-E190 VanDerWaalsContact O-N 3.14Å; L187-Y192 HydrophobicContact CB-CD2 3.96Å; L187-Y192 HydrophobicContact CB-CE2 3.99Å; L187-M200 HydrophobicContact CD2-CE 3.53Å; L187-M200 HydrophobicContact CD2-SD 3.85Å
188K85.2Confident89.3Confident204 Ų20468.9 Ų68.989%0.88735%0.35SS*.THydrogen-bonded Turntrans53.733.3-179.4-59.5177.4-179.8177.30114.1
189G86.4Confident88.8Confident35 Ų3567.5 Ų67.536%0.36134%0.344SS..THydrogen-bonded Turntrans86.42.917800000115.4L187L187-G189 PolarHBondContact O-N 3.4Å
190E90.8Very high88Confident102 Ų10264.7 Ų64.748%0.47733%0.332SS..EExtended strand (participates in β ladder)trans-113.6152173.2-68.8-172.1151.800111.3A174 E186 L187 Y192A174-E190 HydrophobicContact CB-CB 4.23Å; E186-E190 CarbonylContact C-O 3.56Å; E186-E190 WeakPolarHBondContact CA-O 3.39Å; L187-E190 PolarHBondContact N-O 3.33Å; L187-E190 PolarHBondContact O-N 3.44Å; L187-E190 VanDerWaalsContact O-N 3.14Å; E190-Y192 HydrophobicContact CB-CD2 4.42Å; E190-Y192 HydrophobicContact CB-CE2 3.6Å; E190-Y192 WeakPolarHBondContact O-CD2 3.01Å; E190-Y192 PolarHBondContact OE2-OH 3.41Å
191L92Very high87.1Confident11 Ų1167.7 Ų67.76%0.05836%0.364CS..EExtended strand (participates in β ladder)trans-98.4132.5-179.6-71.2167.8000111.5L159 F161 F171 A174 L180 E186L159-L191 HydrophobicContact CD2-CD1 4.08Å; F161-L191 HydrophobicContact CB-CD1 4.23Å; F161-L191 HydrophobicContact CD1-CD1 4.29Å; F161-L191 HydrophobicContact CD2-CD1 3.81Å; F161-L191 HydrophobicContact CD2-CD2 3.66Å; F161-L191 HydrophobicContact CD2-CG 3.67Å; F161-L191 HydrophobicContact CE2-CD1 4.18Å; F161-L191 HydrophobicContact CE2-CD2 4.18Å; F161-L191 HydrophobicContact CE2-CG 3.82Å; F161-L191 HydrophobicContact CG-CD1 3.86Å; F161-L191 HydrophobicContact CG-CD2 4.34Å; F161-L191 HydrophobicContact CG-CG 4.25Å; F171-L191 HydrophobicContact CB-CD1 4.01Å; F171-L191 HydrophobicContact CD1-CD1 3.48Å; F171-L191 VanDerWaalsContact CD1-CD1 3.48Å; F171-L191 HydrophobicContact CD2-CD1 4.29Å; F171-L191 HydrophobicContact CE1-CD1 3.94Å; F171-L191 HydrophobicContact CG-CD1 3.67Å; A174-L191 PolarHBondContact N-O 3.33Å; L180-L191 HydrophobicContact CD1-CB 3.47Å; L180-L191 VanDerWaalsContact CD1-CB 3.47Å; L180-L191 HydrophobicContact CD1-CD1 4.12Å; L180-L191 HydrophobicContact CD1-CG 4.34Å; E186-L191 HydrophobicContact CB-CD2 4.21Å
192Y91Very high86.5Confident28 Ų2865.7 Ų65.711%0.1135%0.352CS..EExtended strand (participates in β ladder)trans-125.9141.1179-63.1-93.3000109.6A174 N175 A184 R185 L187 E190 M200A174-Y192 HydrophobicContact CB-CD1 4.28Å; A174-Y192 HydrophobicContact CB-CE1 3.82Å; N175-Y192 HydrophobicContact CB-CD1 3.88Å; N175-Y192 HydrophobicContact CB-CE1 3.96Å; A184-Y192 WeakPolarHBondContact CA-O 3.28Å; A184-Y192 WeakPolarHBondContact CB-O 3.19Å; R185-Y192 PolarHBondContact N-O 3.04Å; R185-Y192 PolarHBondContact O-N 2.97Å; L187-Y192 HydrophobicContact CB-CD2 3.96Å; L187-Y192 HydrophobicContact CB-CE2 3.99Å; E190-Y192 HydrophobicContact CB-CD2 4.42Å; E190-Y192 HydrophobicContact CB-CE2 3.6Å; E190-Y192 WeakPolarHBondContact O-CD2 3.01Å; E190-Y192 PolarHBondContact OE2-OH 3.41Å; Y192-M200 HydrophobicContact CD1-CE 3.27Å; Y192-M200 HydrophobicContact CD1-SD 4.24Å; Y192-M200 HydrophobicContact CD2-CE 3.61Å; Y192-M200 HydrophobicContact CE1-CE 3.45Å; Y192-M200 VanDerWaalsContact CE1-CE 3.45Å; Y192-M200 HydrophobicContact CE1-SD 3.88Å; Y192-M200 HydrophobicContact CE2-CE 3.81Å; Y192-M200 HydrophobicContact CG-CE 3.35Å
193C92.1Very high86.1Confident17 Ų1766 Ų6612%0.11535%0.352CS..  trans-64.9149.2168.167.30000109.3C173 L180 P195 C196 H197C173-C193 HydrophobicContact CB-CB 4.13Å; C173-C193 PolarHBondContact SG-N 3.29Å; C173-C193 VanDerWaalsContact SG-SG 3.63Å; L180-C193 HydrophobicContact CD2-CB 3.68Å; C193-P195 VanDerWaalsContact C-CD 3.43Å; C193-P195 VanDerWaalsContact C-N 3.29Å; C193-P195 VanDerWaalsContact O-N 3.15Å; C193-C196 PolarHBondContact O-N 2.86Å; C193-C196 PolarHBondContact SG-SG 3.36Å; C193-H197 PolarHBondContact O-N 3.45Å
194L87.1Confident85.8Confident63 Ų6367 Ų6733%0.3336%0.356SS..Hα-helixtrans-47.3-45.7-177.7-173.869.5000112.9R185 C196 H197 D198R185-L194 HydrophobicContact CG-CD1 4.21Å; L194-C196 VanDerWaalsContact C-N 3.35Å; L194-C196 PolarHBondContact O-N 3.35Å; L194-H197 PolarHBondContact O-N 3.01Å; L194-D198 WeakPolarHBondContact O-CB 3.43Å; L194-D198 PolarHBondContact O-N 3.2Å
195P86.2Confident85.6Confident81 Ų8166.7 Ų66.753%0.52635%0.354SS..Hα-helixtrans-63.6-33.4177.3-22.934.1000115C193 K199C193-P195 VanDerWaalsContact C-CD 3.43Å; C193-P195 VanDerWaalsContact C-N 3.29Å; C193-P195 VanDerWaalsContact O-N 3.15Å; P195-K199 WeakPolarHBondContact O-CD 3.44Å; P195-K199 VanDerWaalsContact O-CG 3.24Å; P195-K199 WeakPolarHBondContact O-CG 3.45Å; P195-K199 PolarHBondContact O-N 2.95Å
196C86.3Confident85.4Confident10 Ų1062.5 Ų62.57%0.06834%0.344CS..Hα-helixtrans-79.2-38.5178.3-710000111.3N175 C176 C193 L194 K199 M200N175-C196 HydrophobicContact CB-CB 4.03Å; N175-C196 PolarHBondContact ND2-SG 3.38Å; C176-C196 VanDerWaalsContact SG-SG 3.67Å; C193-C196 PolarHBondContact O-N 2.86Å; C193-C196 PolarHBondContact SG-SG 3.36Å; L194-C196 VanDerWaalsContact C-N 3.35Å; L194-C196 PolarHBondContact O-N 3.35Å; C196-K199 PolarHBondContact O-N 2.85Å; C196-M200 PolarHBondContact O-N 3.09Å
197H87.2Confident85.2Confident55 Ų5560.6 Ų60.626%0.25534%0.344SS..Hα-helixtrans-57.4-50.3173.1175.1-89.7000110.9R185 C193 L194 K199 M200R185-H197 HydrophobicContact CB-CB 4.07Å; R185-H197 HydrophobicContact CG-CB 4.48Å; C193-H197 PolarHBondContact O-N 3.45Å; L194-H197 PolarHBondContact O-N 3.01Å; H197-K199 VanDerWaalsContact C-N 3.3Å; H197-K199 PolarHBondContact O-N 3Å; H197-M200 WeakPolarHBondContact O-CB 3.29Å; H197-M200 PolarHBondContact O-N 2.97Å; H197-M200 VanDerWaalsContact O-N 3.07Å
198D82.9Confident85.2Confident87 Ų8759.6 Ų59.647%0.46534%0.341SS..Hα-helixtrans-62.3-39.2-177.5-66.7-9.7000111.6L194 M200 G201 V202L194-D198 WeakPolarHBondContact O-CB 3.43Å; L194-D198 PolarHBondContact O-N 3.2Å; D198-M200 VanDerWaalsContact C-N 3.26Å; D198-M200 PolarHBondContact O-N 2.87Å; D198-G201 PolarHBondContact O-N 2.76Å; D198-V202 WeakPolarHBondContact O-CG2 3.44Å
199K81Confident85.1Confident120 Ų12059 Ų5952%0.52233%0.334SS..Hα-helixtrans-63.6-25.8176.4-76.6175.1-177.6-177.40114.2P195 C196 H197 G201 V202P195-K199 WeakPolarHBondContact O-CD 3.44Å; P195-K199 VanDerWaalsContact O-CG 3.24Å; P195-K199 WeakPolarHBondContact O-CG 3.45Å; P195-K199 PolarHBondContact O-N 2.95Å; C196-K199 PolarHBondContact O-N 2.85Å; H197-K199 VanDerWaalsContact C-N 3.3Å; H197-K199 PolarHBondContact O-N 3Å; K199-G201 PolarHBondContact O-N 3.23Å; K199-V202 PolarHBondContact O-N 2.92Å; K199-V202 VanDerWaalsContact O-N 3.11Å
200M76.1Confident84.8Confident84 Ų8465.9 Ų65.941%0.41435%0.349SS..Hα-helixtrans-70.9-20.6178.5-73.4-169.6-79.400113.2L187 Y192 C196 H197 D198L187-M200 HydrophobicContact CD2-CE 3.53Å; L187-M200 HydrophobicContact CD2-SD 3.85Å; Y192-M200 HydrophobicContact CD1-CE 3.27Å; Y192-M200 HydrophobicContact CD1-SD 4.24Å; Y192-M200 HydrophobicContact CD2-CE 3.61Å; Y192-M200 HydrophobicContact CE1-CE 3.45Å; Y192-M200 VanDerWaalsContact CE1-CE 3.45Å; Y192-M200 HydrophobicContact CE1-SD 3.88Å; Y192-M200 HydrophobicContact CE2-CE 3.81Å; Y192-M200 HydrophobicContact CG-CE 3.35Å; C196-M200 PolarHBondContact O-N 3.09Å; H197-M200 WeakPolarHBondContact O-CB 3.29Å; H197-M200 PolarHBondContact O-N 2.97Å; H197-M200 VanDerWaalsContact O-N 3.07Å; D198-M200 VanDerWaalsContact C-N 3.26Å; D198-M200 PolarHBondContact O-N 2.87Å
201G73.8Confident84.5Confident69 Ų6963.4 Ų63.471%0.71134%0.342SS*.THydrogen-bonded Turntrans-87.6-8170.200000114D198 K199D198-G201 PolarHBondContact O-N 2.76Å; K199-G201 PolarHBondContact O-N 3.23Å
202V79.1Confident84.2Confident38 Ų3863.2 Ų63.223%0.2334%0.34CS..SBendtrans-85.9123.5-175.1-176.50000110D198 K199 I204 P211 I212D198-V202 WeakPolarHBondContact O-CG2 3.44Å; K199-V202 PolarHBondContact O-N 2.92Å; K199-V202 VanDerWaalsContact O-N 3.11Å; V202-I204 PolarHBondContact O-N 2.78Å; V202-P211 HydrophobicContact CB-CB 4.07Å; V202-P211 HydrophobicContact CG1-CB 3.47Å; V202-P211 VanDerWaalsContact CG1-CB 3.47Å; V202-I212 VanDerWaalsContact CG1-O 3.32Å; V202-I212 WeakPolarHBondContact CG1-O 3.1Å
203P81.6Confident83.6Confident32 Ų3270.2 Ų70.221%0.20837%0.374CS..PPolyproline II helixtrans-60.9133.8179.623.8-32.7000111.5I212 V216 Q223P203-I212 HydrophobicContact CB-CD1 4.38Å; P203-I212 HydrophobicContact CG-CB 4.24Å; P203-I212 WeakPolarHBondContact O-CB 3.38Å; P203-I212 WeakPolarHBondContact O-CG1 3.49Å; P203-I212 PolarHBondContact O-N 3.4Å; P203-V216 HydrophobicContact CB-CG2 4.41Å; P203-V216 HydrophobicContact CG-CG2 4.41Å; P203-Q223 HydrophobicContact CB-CB 4.14Å; P203-Q223 HydrophobicContact CB-CG 4.35Å
204I84.3Confident83Confident103 Ų10372.2 Ų72.253%0.52840%0.398SS..BIsolated β-bridgetrans-95.6129.6-177.9-57.9177.6000109.9V202 G206V202-I204 PolarHBondContact O-N 2.78Å; I204-G206 PolarHBondContact O-N 3.47Å
205C88Confident82.8Confident1 Ų179.7 Ų79.71%0.00742%0.421CS..BIsolated β-bridgetrans-67.8128.4179.2179.20000112.7A207 C208 R209 R210 I212 Q223 H225C205-A207 PolarHBondContact O-N 3.46Å; C205-A207 PolarHBondContact SG-N 3.42Å; C205-C208 VanDerWaalsContact CB-SG 3.57Å; C205-R209 VanDerWaalsContact O-CA 3.26Å; C205-R209 WeakPolarHBondContact O-CA 3.5Å; C205-R209 PolarHBondContact O-N 2.82Å; C205-R210 PolarHBondContact N-O 3.42Å; C205-I212 HydrophobicContact CB-CD1 3.97Å; C205-I212 HydrophobicContact CB-CG1 3.82Å; C205-Q223 CarbonylContact C-O 3.6Å; C205-Q223 VanDerWaalsContact CA-O 3.29Å; C205-Q223 WeakPolarHBondContact CA-O 3.2Å; C205-H225 WeakPolarHBondContact CB-ND1 3.42Å; C205-H225 PolarHBondContact SG-N 3.39Å; C205-H225 PolarHBondContact SG-ND1 3.13Å
206G84.6Confident83Confident21 Ų2178.4 Ų78.422%0.21641%0.412CS..THydrogen-bonded Turntrans-62.1-22.617800000115.1I204 Q223 W224I204-G206 PolarHBondContact O-N 3.47Å; G206-Q223 PolarHBondContact N-O 2.95Å; G206-W224 VanDerWaalsContact C-CZ3 3.42Å
207A86.3Confident83.1Confident51 Ų5179.6 Ų79.642%0.42142%0.419SS..THydrogen-bonded Turntrans-89.9-64.6178.100000112.1C205 W224 H228C205-A207 PolarHBondContact O-N 3.46Å; C205-A207 PolarHBondContact SG-N 3.42Å; A207-W224 HydrophobicContact CB-CE3 3.87Å; A207-W224 HydrophobicContact CB-CZ3 3.81Å; A207-W224 VanDerWaalsContact N-CZ3 3.33Å; A207-H228 HydrophobicContact CB-CB 3.82Å
208C88Confident83.2Confident39 Ų3982.3 Ų82.326%0.26444%0.436SS..THydrogen-bonded Turntrans-88.8-6-17269.60000114.5C205 R210 H225C205-C208 VanDerWaalsContact CB-SG 3.57Å; C208-R210 PolarHBondContact O-N 2.97Å; C208-R210 VanDerWaalsContact O-N 3.11Å; C208-H225 PolarHBondContact SG-CE1 3.23Å; C208-H225 PolarHBondContact SG-ND1 3.32Å
209R82.3Confident83.4Confident191 Ų19178.7 Ų78.772%0.72142%0.417SS*.  trans57.621.2-178.6-55.4-64.5-173.1136.64.9114.6C205C205-R209 VanDerWaalsContact O-CA 3.26Å; C205-R209 WeakPolarHBondContact O-CA 3.5Å; C205-R209 PolarHBondContact O-N 2.82Å
210R81.1Confident83.6Confident181 Ų18175.2 Ų75.268%0.68340%0.404SS*.SBendtrans-101.6153.1174.8-63.6-178.4-176.6169.51.4111.4C205 C208C205-R210 PolarHBondContact N-O 3.42Å; C208-R210 PolarHBondContact O-N 2.97Å; C208-R210 VanDerWaalsContact O-N 3.11Å
211P83.4Confident83.9Confident50 Ų5075.5 Ų75.533%0.32543%0.428SS..BIsolated β-bridgetrans-59139.5172.3-1830.4000111V202 H225V202-P211 HydrophobicContact CB-CB 4.07Å; V202-P211 HydrophobicContact CG1-CB 3.47Å; V202-P211 VanDerWaalsContact CG1-CB 3.47Å; P211-H225 PolarHBondContact O-NE2 3.4Å
212I85.4Confident84.6Confident6 Ų677.8 Ų77.83%0.03142%0.419CS..  trans-94103.6177.9-57.2161.8000108.5V202 P203 C205 G214 V216 Q223 W224V202-I212 VanDerWaalsContact CG1-O 3.32Å; V202-I212 WeakPolarHBondContact CG1-O 3.1Å; P203-I212 HydrophobicContact CB-CD1 4.38Å; P203-I212 HydrophobicContact CG-CB 4.24Å; P203-I212 WeakPolarHBondContact O-CB 3.38Å; P203-I212 WeakPolarHBondContact O-CG1 3.49Å; P203-I212 PolarHBondContact O-N 3.4Å; C205-I212 HydrophobicContact CB-CD1 3.97Å; C205-I212 HydrophobicContact CB-CG1 3.82Å; I212-G214 PolarHBondContact O-N 2.83Å; I212-V216 HydrophobicContact CD1-CG2 4Å; I212-V216 HydrophobicContact CG2-CB 4.49Å; I212-Q223 HydrophobicContact CD1-CB 4.21Å; I212-W224 VanDerWaalsContact CD1-C 3.44Å
213E79.1Confident85.2Confident175 Ų17579.5 Ų79.582%0.81842%0.424SS*.  trans-89.482.7173.5-64.5175.9-174.900108.6
214G79.5Confident85.6Confident59 Ų5979.7 Ų79.761%0.60842%0.421SS*.SBendtrans139.8-142176.900000115.1I212 V216I212-G214 PolarHBondContact O-N 2.83Å; G214-V216 PolarHBondContact O-N 2.94Å
215R83.4Confident86Confident220 Ų22076.8 Ų76.883%0.8341%0.405SS*.  trans-64.4125.3-178-83.5-170.9-85.1-173.3-5.6111V226R215-V226 HydrophobicContact CB-CG2 3.94Å
216V89.2Confident86.1Confident54 Ų5479 Ų7933%0.32742%0.418SS..EExtended strand (participates in β ladder)trans-104.5138.3178.762.20000110.9P203 I212 G214 Q223P203-V216 HydrophobicContact CB-CG2 4.41Å; P203-V216 HydrophobicContact CG-CG2 4.41Å; I212-V216 HydrophobicContact CD1-CG2 4Å; I212-V216 HydrophobicContact CG2-CB 4.49Å; G214-V216 PolarHBondContact O-N 2.94Å; V216-Q223 HydrophobicContact CG2-CB 3.74Å; V216-Q223 HydrophobicContact CG2-CG 4.19Å
217V89.3Confident86.3Confident36 Ų3684.9 Ų84.922%0.21844%0.44CS..EExtended strand (participates in β ladder)trans-99.3118.5166.8178.90000108.2A219 Q223 W224 V226 F229V217-A219 HydrophobicContact CG1-CB 4.19Å; V217-Q223 CarbonylContact O-C 3.58Å; V217-Q223 WeakPolarHBondContact O-CA 3.25Å; V217-W224 HydrophobicContact CB-CB 4.33Å; V217-W224 PolarHBondContact N-O 2.84Å; V217-W224 PolarHBondContact O-N 3.4Å; V217-V226 HydrophobicContact CG2-CB 4.38Å; V217-V226 HydrophobicContact CG2-CG2 3.93Å; V217-F229 HydrophobicContact CB-CB 4.48Å; V217-F229 HydrophobicContact CG1-CB 4.27Å; V217-F229 HydrophobicContact CG1-CD1 3.77Å; V217-F229 HydrophobicContact CG1-CE1 4.32Å; V217-F229 HydrophobicContact CG1-CG 4.01Å
218N89.4Confident86.6Confident112 Ų11286 Ų8660%0.59944%0.436SS*.EExtended strand (participates in β ladder)trans-94.9107.2172.9-61.5-53.4000108.4Q223N218-Q223 WeakPolarHBondContact OD1-CG 3.44Å; N218-Q223 PolarHBondContact OD1-NE2 3.05Å
219A86.9Confident86.8Confident10 Ų1084.7 Ų84.78%0.08343%0.426CS..EExtended strand (participates in β ladder)trans-150.4146-179.100000110.4V217 G221 K222 W224 F229V217-A219 HydrophobicContact CG1-CB 4.19Å; A219-G221 VanDerWaalsContact C-N 3.25Å; A219-G221 PolarHBondContact O-N 3.4Å; A219-K222 PolarHBondContact N-O 2.93Å; A219-K222 CarbonylContact O-C 3.57Å; A219-K222 PolarHBondContact O-N 3.16Å; A219-W224 PolarHBondContact O-NE1 2.85Å; A219-F229 HydrophobicContact CB-CD2 4.3Å; A219-F229 HydrophobicContact CB-CE1 4.01Å; A219-F229 HydrophobicContact CB-CE2 3.62Å; A219-F229 HydrophobicContact CB-CZ 3.45Å; A219-F229 VanDerWaalsContact CB-CZ 3.45Å
220M83.8Confident87.3Confident47 Ų4777.9 Ų77.923%0.23241%0.406CS..THydrogen-bonded Turntrans57.336.5175.9-46.7-178.465.300113.4K222 F229 E245 G248 A250M220-K222 PolarHBondContact O-N 3.37Å; M220-K222 VanDerWaalsContact O-N 3.16Å; M220-F229 HydrophobicContact CG-CE2 4.46Å; M220-F229 HydrophobicContact SD-CE2 4.14Å; M220-E245 HydrophobicContact CE-CG 3.64Å; M220-G248 WeakPolarHBondContact CE-O 3.25Å; M220-A250 HydrophobicContact SD-CB 4Å
221G83.4Confident87.8Confident91 Ų9169.3 Ų69.394%0.93837%0.373SS*.THydrogen-bonded Turntrans65.313.4-176.900000114.9A219A219-G221 VanDerWaalsContact C-N 3.25Å; A219-G221 PolarHBondContact O-N 3.4Å
222K88.6Confident88.2Confident116 Ų11669.3 Ų69.350%0.50438%0.378SS..EExtended strand (participates in β ladder)trans-132.2167.3-178.8-67.9178.4-176.5173.40111A219 M220 W224A219-K222 PolarHBondContact N-O 2.93Å; A219-K222 CarbonylContact O-C 3.57Å; A219-K222 PolarHBondContact O-N 3.16Å; M220-K222 PolarHBondContact O-N 3.37Å; M220-K222 VanDerWaalsContact O-N 3.16Å; K222-W224 HydrophobicContact CB-CZ2 3.89Å; K222-W224 HydrophobicContact CD-CH2 4.38Å; K222-W224 HydrophobicContact CD-CZ2 3.91Å; K222-W224 PolarHBondContact O-NE1 2.84Å
223Q90.9Very high88.3Confident74 Ų7475.2 Ų75.235%0.34640%0.403SS..EExtended strand (participates in β ladder)trans-109.9140.7178.7-57.8-172.7-74.900109.4P203 C205 G206 I212 V216 V217 N218P203-Q223 HydrophobicContact CB-CB 4.14Å; P203-Q223 HydrophobicContact CB-CG 4.35Å; C205-Q223 CarbonylContact C-O 3.6Å; C205-Q223 VanDerWaalsContact CA-O 3.29Å; C205-Q223 WeakPolarHBondContact CA-O 3.2Å; G206-Q223 PolarHBondContact N-O 2.95Å; I212-Q223 HydrophobicContact CD1-CB 4.21Å; V216-Q223 HydrophobicContact CG2-CB 3.74Å; V216-Q223 HydrophobicContact CG2-CG 4.19Å; V217-Q223 CarbonylContact O-C 3.58Å; V217-Q223 WeakPolarHBondContact O-CA 3.25Å; N218-Q223 WeakPolarHBondContact OD1-CG 3.44Å; N218-Q223 PolarHBondContact OD1-NE2 3.05Å
224W91.5Very high88.8Confident37 Ų3768.8 Ų68.814%0.1438%0.377CS..EExtended strand (participates in β ladder)trans-139149.3-173.7-47.282.4000110.8G206 A207 I212 V217 A219 K222 F229G206-W224 VanDerWaalsContact C-CZ3 3.42Å; A207-W224 HydrophobicContact CB-CE3 3.87Å; A207-W224 HydrophobicContact CB-CZ3 3.81Å; A207-W224 VanDerWaalsContact N-CZ3 3.33Å; I212-W224 VanDerWaalsContact CD1-C 3.44Å; V217-W224 HydrophobicContact CB-CB 4.33Å; V217-W224 PolarHBondContact N-O 2.84Å; V217-W224 PolarHBondContact O-N 3.4Å; A219-W224 PolarHBondContact O-NE1 2.85Å; K222-W224 HydrophobicContact CB-CZ2 3.89Å; K222-W224 HydrophobicContact CD-CH2 4.38Å; K222-W224 HydrophobicContact CD-CZ2 3.91Å; K222-W224 PolarHBondContact O-NE1 2.84Å; W224-F229 HydrophobicContact CB-CB 3.93Å; W224-F229 HydrophobicContact CB-CD2 4.48Å; W224-F229 AromaticContact CD1-CD2 3.94Å; W224-F229 HydrophobicContact CD2-CD2 4.08Å; W224-F229 HydrophobicContact CG-CB 4.29Å; W224-F229 AromaticContact CG-CD2 3.93Å; W224-F229 HydrophobicContact CG-CD2 3.93Å; W224-F229 HydrophobicContact CG-CG 4.46Å
225H90.9Very high89.3Confident42 Ų4273.4 Ų73.419%0.19438%0.383CS..EExtended strand (participates in β ladder)trans-63.3146.6159.9-64.6101000109C205 C208 P211 E227 H228 F229C205-H225 WeakPolarHBondContact CB-ND1 3.42Å; C205-H225 PolarHBondContact SG-N 3.39Å; C205-H225 PolarHBondContact SG-ND1 3.13Å; C208-H225 PolarHBondContact SG-CE1 3.23Å; C208-H225 PolarHBondContact SG-ND1 3.32Å; P211-H225 PolarHBondContact O-NE2 3.4Å; H225-E227 PolarHBondContact O-N 3.16Å; H225-E227 VanDerWaalsContact O-N 3.16Å; H225-H228 HydrophobicContact CB-CB 4.01Å; H225-H228 VanDerWaalsContact CB-ND1 3.29Å; H225-H228 WeakPolarHBondContact CB-ND1 3.41Å; H225-H228 AromaticContact CG-ND1 3.36Å; H225-H228 AromaticContact ND1-CE1 3.71Å; H225-H228 AromaticContact ND1-ND1 3.03Å; H225-H228 PolarHBondContact ND1-ND1 2.94Å; H225-H228 PolarHBondContact O-N 3.48Å; H225-F229 PolarHBondContact O-N 3.28Å; H225-F229 VanDerWaalsContact O-N 3.11Å
226V90.4Very high89.6Confident46 Ų4670.1 Ų70.128%0.27938%0.375SS..THydrogen-bonded Turntrans-53.2-36.8176.5177.90000112.1R215 V217 L239R215-V226 HydrophobicContact CB-CG2 3.94Å; V217-V226 HydrophobicContact CG2-CB 4.38Å; V217-V226 HydrophobicContact CG2-CG2 3.93Å; V226-L239 HydrophobicContact CG1-CD2 3.67Å
227E90.3Very high89.7Confident145 Ų14570 Ų7068%0.67838%0.375SS*.THydrogen-bonded Turntrans-79.8-25.7179.7-61178.8172.700113.6H225 V230H225-E227 PolarHBondContact O-N 3.16Å; H225-E227 VanDerWaalsContact O-N 3.16Å; E227-V230 WeakPolarHBondContact O-CG1 3.38Å
228H90.8Very high89.7Confident75 Ų7568.9 Ų68.935%0.34737%0.367SS..THydrogen-bonded Turntrans-92.7-10.7-176.9-68125.6000113.2A207 H225 V230A207-H228 HydrophobicContact CB-CB 3.82Å; H225-H228 HydrophobicContact CB-CB 4.01Å; H225-H228 VanDerWaalsContact CB-ND1 3.29Å; H225-H228 WeakPolarHBondContact CB-ND1 3.41Å; H225-H228 AromaticContact CG-ND1 3.36Å; H225-H228 AromaticContact ND1-CE1 3.71Å; H225-H228 AromaticContact ND1-ND1 3.03Å; H225-H228 PolarHBondContact ND1-ND1 2.94Å; H225-H228 PolarHBondContact O-N 3.48Å; H228-V230 PolarHBondContact O-N 3.49Å
229F93.3Very high89.5Confident12 Ų1268.9 Ų68.95%0.05337%0.367CS..  trans-8489.4170-168.1-118.6000109.4V217 A219 M220 W224 H225 P237 F238 H243 A250V217-F229 HydrophobicContact CB-CB 4.48Å; V217-F229 HydrophobicContact CG1-CB 4.27Å; V217-F229 HydrophobicContact CG1-CD1 3.77Å; V217-F229 HydrophobicContact CG1-CE1 4.32Å; V217-F229 HydrophobicContact CG1-CG 4.01Å; A219-F229 HydrophobicContact CB-CD2 4.3Å; A219-F229 HydrophobicContact CB-CE1 4.01Å; A219-F229 HydrophobicContact CB-CE2 3.62Å; A219-F229 HydrophobicContact CB-CZ 3.45Å; A219-F229 VanDerWaalsContact CB-CZ 3.45Å; M220-F229 HydrophobicContact CG-CE2 4.46Å; M220-F229 HydrophobicContact SD-CE2 4.14Å; W224-F229 HydrophobicContact CB-CB 3.93Å; W224-F229 HydrophobicContact CB-CD2 4.48Å; W224-F229 AromaticContact CD1-CD2 3.94Å; W224-F229 HydrophobicContact CD2-CD2 4.08Å; W224-F229 HydrophobicContact CG-CB 4.29Å; W224-F229 AromaticContact CG-CD2 3.93Å; W224-F229 HydrophobicContact CG-CD2 3.93Å; W224-F229 HydrophobicContact CG-CG 4.46Å; H225-F229 PolarHBondContact O-N 3.28Å; H225-F229 VanDerWaalsContact O-N 3.11Å; F229-P237 WeakPolarHBondContact O-CA 3.48Å; F229-F238 HydrophobicContact CD1-CB 4.19Å; F229-F238 AromaticContact CD1-CD2 3.41Å; F229-F238 HydrophobicContact CD1-CD2 3.41Å; F229-F238 VanDerWaalsContact CD1-CD2 3.41Å; F229-F238 HydrophobicContact CD1-CE2 4.2Å; F229-F238 HydrophobicContact CD1-CG 4.19Å; F229-F238 AromaticContact CE1-CD2 3.47Å; F229-F238 HydrophobicContact CE1-CD2 3.47Å; F229-F238 VanDerWaalsContact CE1-CD2 3.47Å; F229-F238 AromaticContact CE1-CE2 3.97Å; F229-F238 HydrophobicContact CE1-CE2 3.97Å; F229-F238 HydrophobicContact CE1-CG 4.22Å; F229-F238 HydrophobicContact CG-CD2 4.09Å; F229-F238 HydrophobicContact CZ-CD2 4.19Å; F229-F238 HydrophobicContact CZ-CE2 4.26Å; F229-F238 WeakPolarHBondContact O-CD2 3.43Å; F229-F238 PolarHBondContact O-N 2.99Å; F229-H243 HydrophobicContact CE1-CB 4.38Å; F229-H243 AromaticContact CE1-CD2 3.95Å; F229-H243 AromaticContact CE1-CE1 3.95Å; F229-H243 AromaticContact CE1-CG 3.81Å; F229-H243 AromaticContact CE1-ND1 3.81Å; F229-H243 AromaticContact CZ-CD2 3.64Å; F229-H243 AromaticContact CZ-CG 3.97Å; F229-H243 AromaticContact CZ-NE2 3.75Å; F229-A250 HydrophobicContact CE2-CB 4Å; F229-A250 HydrophobicContact CZ-CB 3.89Å
230V92.5Very high89.1Confident47 Ų4772.2 Ų72.229%0.28540%0.402SS..BIsolated β-bridgetrans-117.8158.6-170.8-57.70000112.5E227 H228 A232 E235 K236 P237 F238E227-V230 WeakPolarHBondContact O-CG1 3.38Å; H228-V230 PolarHBondContact O-N 3.49Å; V230-A232 PolarHBondContact O-N 3.34Å; V230-E235 WeakPolarHBondContact CB-O 3.47Å; V230-E235 WeakPolarHBondContact CG1-O 3.33Å; V230-K236 WeakPolarHBondContact CA-O 3.48Å; V230-P237 HydrophobicContact CG1-CB 4.13Å; V230-F238 WeakPolarHBondContact O-CE2 3.34Å
231C92.4Very high89.1Confident1 Ų176.7 Ų76.71%0.00742%0.423CS..  trans-67.9129.9170.2173.30000110.9K233 C234 E235 K236 F238 A250 C252C231-K233 PolarHBondContact O-N 3.04Å; C231-K233 PolarHBondContact SG-N 3.1Å; C231-K233 VanDerWaalsContact SG-N 3.43Å; C231-C234 VanDerWaalsContact CB-SG 3.56Å; C231-C234 PolarHBondContact O-N 3.2Å; C231-E235 VanDerWaalsContact O-CA 3.24Å; C231-E235 WeakPolarHBondContact O-CA 3.4Å; C231-E235 PolarHBondContact O-N 3.12Å; C231-K236 PolarHBondContact N-O 3.39Å; C231-F238 HydrophobicContact CB-CE1 4.2Å; C231-F238 HydrophobicContact CB-CZ 3.82Å; C231-A250 CarbonylContact C-O 3.51Å; C231-A250 WeakPolarHBondContact CA-O 3.01Å; C231-C252 HydrophobicContact CB-CB 4.23Å; C231-C252 PolarHBondContact SG-N 2.96Å
232A90.3Very high89.1Confident50 Ų5081 Ų8141%0.41341%0.411SS..THydrogen-bonded Turntrans-62.1-1418000000114.9V230 L249 A250 Y251V230-A232 PolarHBondContact O-N 3.34Å; A232-L249 HydrophobicContact CB-CB 4.07Å; A232-L249 HydrophobicContact CB-CD1 4.43Å; A232-L249 HydrophobicContact CB-CD2 4.31Å; A232-A250 PolarHBondContact N-O 3.08Å; A232-Y251 HydrophobicContact CB-CD1 4.45Å; A232-Y251 HydrophobicContact CB-CE1 4.06Å
233K88.2Confident89.2Confident130 Ų13078.9 Ų78.957%0.56540%0.402SS*.THydrogen-bonded Turntrans-102.2-39.9-178.8-175.158.8179177.60114.1C231 Y251 H255 L259C231-K233 PolarHBondContact O-N 3.04Å; C231-K233 PolarHBondContact SG-N 3.1Å; C231-K233 VanDerWaalsContact SG-N 3.43Å; K233-Y251 HydrophobicContact CB-CD1 4.46Å; K233-H255 HydrophobicContact CB-CB 3.92Å; K233-H255 HydrophobicContact CG-CB 4.18Å; K233-L259 HydrophobicContact CG-CD1 4.47Å
234C90.3Very high89Confident41 Ų4177.8 Ų77.828%0.27740%0.395SS..THydrogen-bonded Turntrans-114.6-1.6-177.962.50000114.6C231 K236 H255C231-C234 VanDerWaalsContact CB-SG 3.56Å; C231-C234 PolarHBondContact O-N 3.2Å; C234-K236 HydrophobicContact CB-CG 4.43Å; C234-K236 PolarHBondContact O-N 3.32Å; C234-H255 WeakPolarHBondContact CB-CE1 3.17Å; C234-H255 PolarHBondContact SG-CE1 3Å; C234-H255 PolarHBondContact SG-ND1 3.47Å; C234-H255 VanDerWaalsContact SG-ND1 3.42Å
235E90.1Very high88.9Confident155 Ų15581.1 Ų81.172%0.72441%0.412SS*.  trans59.212.3176.9-56.4177.9176.200114.1V230 C231V230-E235 WeakPolarHBondContact CB-O 3.47Å; V230-E235 WeakPolarHBondContact CG1-O 3.33Å; C231-E235 VanDerWaalsContact O-CA 3.24Å; C231-E235 WeakPolarHBondContact O-CA 3.4Å; C231-E235 PolarHBondContact O-N 3.12Å
236K89.9Confident88.6Confident151 Ų15184.7 Ų84.766%0.65742%0.424SS*.  trans-77.3132.1175.3-66.4-173.8179.2-177.60110V230 C231 C234V230-K236 WeakPolarHBondContact CA-O 3.48Å; C231-K236 PolarHBondContact N-O 3.39Å; C234-K236 HydrophobicContact CB-CG 4.43Å; C234-K236 PolarHBondContact O-N 3.32Å
237P90.3Very high88.3Confident53 Ų5392.1 Ų92.134%0.34445%0.453SS..BIsolated β-bridgetrans-65.4144.1175.826.3-32.9000110.9F229 V230 L239F229-P237 WeakPolarHBondContact O-CA 3.48Å; V230-P237 HydrophobicContact CG1-CB 4.13Å; P237-L239 HydrophobicContact CB-CD2 3.96Å; P237-L239 HydrophobicContact CB-CG 4.1Å; P237-L239 HydrophobicContact CG-CD1 4.49Å; P237-L239 HydrophobicContact CG-CD2 4.14Å; P237-L239 HydrophobicContact CG-CG 4.12Å
238F89.5Confident88Confident11 Ų1187.5 Ų87.55%0.04844%0.444CS..  trans-73.5-29.2179.7-68.2-72.4000112.5F229 V230 C231 G240 H241 H243 A250 C252F229-F238 HydrophobicContact CD1-CB 4.19Å; F229-F238 AromaticContact CD1-CD2 3.41Å; F229-F238 HydrophobicContact CD1-CD2 3.41Å; F229-F238 VanDerWaalsContact CD1-CD2 3.41Å; F229-F238 HydrophobicContact CD1-CE2 4.2Å; F229-F238 HydrophobicContact CD1-CG 4.19Å; F229-F238 AromaticContact CE1-CD2 3.47Å; F229-F238 HydrophobicContact CE1-CD2 3.47Å; F229-F238 VanDerWaalsContact CE1-CD2 3.47Å; F229-F238 AromaticContact CE1-CE2 3.97Å; F229-F238 HydrophobicContact CE1-CE2 3.97Å; F229-F238 HydrophobicContact CE1-CG 4.22Å; F229-F238 HydrophobicContact CG-CD2 4.09Å; F229-F238 HydrophobicContact CZ-CD2 4.19Å; F229-F238 HydrophobicContact CZ-CE2 4.26Å; F229-F238 WeakPolarHBondContact O-CD2 3.43Å; F229-F238 PolarHBondContact O-N 2.99Å; V230-F238 WeakPolarHBondContact O-CE2 3.34Å; C231-F238 HydrophobicContact CB-CE1 4.2Å; C231-F238 HydrophobicContact CB-CZ 3.82Å; F238-G240 PolarHBondContact O-N 3.42Å; F238-H241 WeakPolarHBondContact O-CB 3.31Å; F238-H241 PolarHBondContact O-CD2 3.1Å; F238-H241 PolarHBondContact O-N 3.48Å; F238-H243 HydrophobicContact CD1-CB 3.75Å; F238-H243 HydrophobicContact CD2-CB 4.18Å; F238-H243 HydrophobicContact CE1-CB 3.54Å; F238-H243 HydrophobicContact CE2-CB 3.99Å; F238-H243 HydrophobicContact CG-CB 4.06Å; F238-H243 HydrophobicContact CZ-CB 3.67Å; F238-A250 HydrophobicContact CE2-CB 3.66Å; F238-A250 HydrophobicContact CZ-CB 3.95Å; F238-C252 HydrophobicContact CE1-CB 3.87Å
239L86.1Confident87.9Confident112 Ų11287.9 Ų87.959%0.58645%0.448SS*.THydrogen-bonded Turntrans49.228.1179.5-54.7-178.7000114.5V226 P237V226-L239 HydrophobicContact CG1-CD2 3.67Å; P237-L239 HydrophobicContact CB-CD2 3.96Å; P237-L239 HydrophobicContact CB-CG 4.1Å; P237-L239 HydrophobicContact CG-CD1 4.49Å; P237-L239 HydrophobicContact CG-CD2 4.14Å; P237-L239 HydrophobicContact CG-CG 4.12Å
240G78.7Confident87.7Confident81 Ų8187.6 Ų87.684%0.83545%0.448SS*.THydrogen-bonded Turntrans94-4.8-175.700000115.5F238F238-G240 PolarHBondContact O-N 3.42Å
241H83.1Confident87.6Confident141 Ų14186.7 Ų86.765%0.65344%0.439SS*.  trans-66156169.6-65.7-69.7000112F238 H243F238-H241 WeakPolarHBondContact O-CB 3.31Å; F238-H241 PolarHBondContact O-CD2 3.1Å; F238-H241 PolarHBondContact O-N 3.48Å; H241-H243 PolarHBondContact O-N 3.14Å
242R83.8Confident87.5Confident182 Ų18287.8 Ų87.869%0.68745%0.447SS*.  trans-59.8135.1-179.7-161.1175.1-174.1178.32.1110.5Y244R242-Y244 HydrophobicContact CG-CE2 4.36Å; R242-Y244 PolarHBondContact NE-OH 3.1Å
243H89.1Confident87.2Confident71 Ų7189.8 Ų89.833%0.32945%0.447SS..EExtended strand (participates in β ladder)trans-126.1155.7176.866.1-80.9000109.8F229 F238 H241F229-H243 HydrophobicContact CE1-CB 4.38Å; F229-H243 AromaticContact CE1-CD2 3.95Å; F229-H243 AromaticContact CE1-CE1 3.95Å; F229-H243 AromaticContact CE1-CG 3.81Å; F229-H243 AromaticContact CE1-ND1 3.81Å; F229-H243 AromaticContact CZ-CD2 3.64Å; F229-H243 AromaticContact CZ-CG 3.97Å; F229-H243 AromaticContact CZ-NE2 3.75Å; F238-H243 HydrophobicContact CD1-CB 3.75Å; F238-H243 HydrophobicContact CD2-CB 4.18Å; F238-H243 HydrophobicContact CE1-CB 3.54Å; F238-H243 HydrophobicContact CE2-CB 3.99Å; F238-H243 HydrophobicContact CG-CB 4.06Å; F238-H243 HydrophobicContact CZ-CB 3.67Å; H241-H243 PolarHBondContact O-N 3.14Å
244Y88.4Confident87Confident51 Ų5187.4 Ų87.420%0.244%0.444CS..EExtended strand (participates in β ladder)trans-124.3127.5178.8-63.6-89.5000109.5R242 Y251 E253 Y256R242-Y244 HydrophobicContact CG-CE2 4.36Å; R242-Y244 PolarHBondContact NE-OH 3.1Å; Y244-Y251 PolarHBondContact N-O 3.18Å; Y244-Y251 PolarHBondContact O-N 3.24Å; Y244-E253 HydrophobicContact CD2-CB 4.29Å; Y244-E253 HydrophobicContact CE2-CB 3.68Å; Y244-E253 HydrophobicContact CE2-CG 3.79Å; Y244-E253 PolarHBondContact OH-OE1 3.02Å; Y244-Y256 VanDerWaalsContact CB-CD2 3.47Å; Y244-Y256 HydrophobicContact CG-CD1 4.23Å; Y244-Y256 HydrophobicContact CG-CD2 4.4Å; Y244-Y256 HydrophobicContact CG-CG 4.1Å
245E87.6Confident86.7Confident107 Ų10787.2 Ų87.250%0.544%0.439SS..EExtended strand (participates in β ladder)trans-93.5134.6-178.1-177.5178.3165.200111.5M220 L249M220-E245 HydrophobicContact CE-CG 3.64Å; E245-L249 WeakPolarHBondContact CA-O 3.42Å
246R84.8Confident86.6Confident117 Ų11781.8 Ų81.844%0.44241%0.412SS..EExtended strand (participates in β ladder)trans-147.5127.5169.2-169.364.471.5162.98111.1G248 L249 Y251 Y256 F260R246-G248 PolarHBondContact O-N 3.01Å; R246-L249 PolarHBondContact N-O 2.7Å; R246-L249 PolarHBondContact O-N 3.31Å; R246-Y251 HydrophobicContact CB-CD2 4.36Å; R246-Y251 HydrophobicContact CB-CE2 4.11Å; R246-Y256 HydrophobicContact CB-CE2 4.16Å; R246-Y256 PolarHBondContact NH2-OH 3.28Å; R246-F260 HydrophobicContact CB-CE2 4.41Å; R246-F260 HydrophobicContact CG-CE2 4.45Å; R246-F260 HydrophobicContact CG-CZ 4.39Å
247K85.3Confident86.2Confident202 Ų20276.1 Ų76.188%0.87839%0.389SS*.THydrogen-bonded Turntrans51.137.3-179.9-62.8-176.8177.8-178.30113.5L249K247-L249 VanDerWaalsContact C-N 3.32Å; K247-L249 PolarHBondContact O-N 3.49Å
248G83.8Confident85.6Confident47 Ų4779.7 Ų79.749%0.48540%0.401SS..THydrogen-bonded Turntrans75.117.9-179.400000114.7M220 R246M220-G248 WeakPolarHBondContact CE-O 3.25Å; R246-G248 PolarHBondContact O-N 3.01Å
249L88.4Confident85Confident84 Ų8483.1 Ų83.144%0.4442%0.419SS..EExtended strand (participates in β ladder)trans-121.5142.9170-63.8172.7000111.1A232 E245 R246 K247 Y251A232-L249 HydrophobicContact CB-CB 4.07Å; A232-L249 HydrophobicContact CB-CD1 4.43Å; A232-L249 HydrophobicContact CB-CD2 4.31Å; E245-L249 WeakPolarHBondContact CA-O 3.42Å; R246-L249 PolarHBondContact N-O 2.7Å; R246-L249 PolarHBondContact O-N 3.31Å; K247-L249 VanDerWaalsContact C-N 3.32Å; K247-L249 PolarHBondContact O-N 3.49Å; L249-Y251 HydrophobicContact CB-CE2 3.7Å; L249-Y251 WeakPolarHBondContact CD1-OH 3.37Å
250A90.3Very high84.8Confident6 Ų682.2 Ų82.25%0.0541%0.411CS..EExtended strand (participates in β ladder)trans-95.4132.7176.100000111.1M220 F229 C231 A232 F238M220-A250 HydrophobicContact SD-CB 4Å; F229-A250 HydrophobicContact CE2-CB 4Å; F229-A250 HydrophobicContact CZ-CB 3.89Å; C231-A250 CarbonylContact C-O 3.51Å; C231-A250 WeakPolarHBondContact CA-O 3.01Å; A232-A250 PolarHBondContact N-O 3.08Å; F238-A250 HydrophobicContact CE2-CB 3.66Å; F238-A250 HydrophobicContact CZ-CB 3.95Å
251Y89.9Confident84.6Confident27 Ų2779.5 Ų79.511%0.10638%0.383CS..EExtended strand (participates in β ladder)trans-122144.8177.8-61.5-89.6000110.3A232 K233 Y244 R246 L249 Y256 L259 F260A232-Y251 HydrophobicContact CB-CD1 4.45Å; A232-Y251 HydrophobicContact CB-CE1 4.06Å; K233-Y251 HydrophobicContact CB-CD1 4.46Å; Y244-Y251 PolarHBondContact N-O 3.18Å; Y244-Y251 PolarHBondContact O-N 3.24Å; R246-Y251 HydrophobicContact CB-CD2 4.36Å; R246-Y251 HydrophobicContact CB-CE2 4.11Å; L249-Y251 HydrophobicContact CB-CE2 3.7Å; L249-Y251 WeakPolarHBondContact CD1-OH 3.37Å; Y251-Y256 HydrophobicContact CD2-CD2 4.39Å; Y251-L259 HydrophobicContact CD1-CD1 3.92Å; Y251-L259 HydrophobicContact CE1-CD1 3.66Å; Y251-F260 HydrophobicContact CD1-CE2 4.42Å; Y251-F260 HydrophobicContact CD2-CE2 4.04Å; Y251-F260 HydrophobicContact CE1-CE2 4.2Å; Y251-F260 AromaticContact CE2-CE2 3.81Å; Y251-F260 HydrophobicContact CE2-CE2 3.81Å; Y251-F260 HydrophobicContact CE2-CZ 4.21Å; Y251-F260 HydrophobicContact CG-CE2 4.34Å; Y251-F260 AromaticContact CZ-CE2 3.9Å
252C89.7Confident84.3Confident24 Ų2476.8 Ų76.816%0.16237%0.373CS..EExtended strand (participates in β ladder)trans-72.5157.9165.567.10000110C231 F238 T254 H255 Y256C231-C252 HydrophobicContact CB-CB 4.23Å; C231-C252 PolarHBondContact SG-N 2.96Å; F238-C252 HydrophobicContact CE1-CB 3.87Å; C252-T254 PolarHBondContact O-N 2.89Å; C252-T254 PolarHBondContact SG-OG1 3.09Å; C252-H255 PolarHBondContact O-N 3.08Å; C252-H255 VanDerWaalsContact O-N 3.14Å; C252-H255 PolarHBondContact SG-ND1 2.98Å; C252-Y256 WeakPolarHBondContact O-CB 3.49Å; C252-Y256 PolarHBondContact O-N 3.01Å
253E84.2Confident83.9Confident92 Ų9271.6 Ų71.643%0.4336%0.362SS..Hα-helixtrans-47.9-47.8-177.5-171.7152.9-129.700112.9Y244 Y256 N257Y244-E253 HydrophobicContact CD2-CB 4.29Å; Y244-E253 HydrophobicContact CE2-CB 3.68Å; Y244-E253 HydrophobicContact CE2-CG 3.79Å; Y244-E253 PolarHBondContact OH-OE1 3.02Å; E253-Y256 PolarHBondContact O-N 2.92Å; E253-N257 VanDerWaalsContact O-CB 3.31Å; E253-N257 WeakPolarHBondContact O-CB 3.32Å; E253-N257 VanDerWaalsContact O-CG 3.3Å; E253-N257 PolarHBondContact O-N 3.16Å; E253-N257 PolarHBondContact O-ND2 3.04Å
254T83.6Confident83.6Confident80 Ų8068.2 Ų68.249%0.49135%0.346SS..Hα-helixtrans-61-50.2179.954.90000112.7C252 Q258C252-T254 PolarHBondContact O-N 2.89Å; C252-T254 PolarHBondContact SG-OG1 3.09Å; T254-Q258 WeakPolarHBondContact O-CB 3.2Å; T254-Q258 WeakPolarHBondContact O-CG 3.48Å; T254-Q258 PolarHBondContact O-N 3.29Å
255H85.3Confident83.3Confident37 Ų3769.6 Ų69.617%0.17135%0.353CS..Hα-helixtrans-73.9-31-179.2-67.6123000112.7K233 C234 C252 Q258 L259K233-H255 HydrophobicContact CB-CB 3.92Å; K233-H255 HydrophobicContact CG-CB 4.18Å; C234-H255 WeakPolarHBondContact CB-CE1 3.17Å; C234-H255 PolarHBondContact SG-CE1 3Å; C234-H255 PolarHBondContact SG-ND1 3.47Å; C234-H255 VanDerWaalsContact SG-ND1 3.42Å; C252-H255 PolarHBondContact O-N 3.08Å; C252-H255 VanDerWaalsContact O-N 3.14Å; C252-H255 PolarHBondContact SG-ND1 2.98Å; H255-Q258 PolarHBondContact CD2-OE1 3.49Å; H255-Q258 PolarHBondContact O-N 2.82Å; H255-L259 VanDerWaalsContact O-CB 3.3Å; H255-L259 WeakPolarHBondContact O-CB 3.33Å; H255-L259 WeakPolarHBondContact O-CD1 3.4Å; H255-L259 VanDerWaalsContact O-CG 3.23Å; H255-L259 WeakPolarHBondContact O-CG 3.24Å; H255-L259 PolarHBondContact O-N 3.08Å
256Y86Confident83Confident41 Ų4170 Ų7016%0.16136%0.355CS..Hα-helixtrans-63-48.9174-176-92.5000110.6Y244 R246 Y251 C252 E253 L259 F260Y244-Y256 VanDerWaalsContact CB-CD2 3.47Å; Y244-Y256 HydrophobicContact CG-CD1 4.23Å; Y244-Y256 HydrophobicContact CG-CD2 4.4Å; Y244-Y256 HydrophobicContact CG-CG 4.1Å; R246-Y256 HydrophobicContact CB-CE2 4.16Å; R246-Y256 PolarHBondContact NH2-OH 3.28Å; Y251-Y256 HydrophobicContact CD2-CD2 4.39Å; C252-Y256 WeakPolarHBondContact O-CB 3.49Å; C252-Y256 PolarHBondContact O-N 3.01Å; E253-Y256 PolarHBondContact O-N 2.92Å; Y256-L259 PolarHBondContact O-N 3.2Å; Y256-F260 AromaticContact CD2-CD2 3.78Å; Y256-F260 HydrophobicContact CD2-CD2 3.78Å; Y256-F260 HydrophobicContact CD2-CE2 4.35Å; Y256-F260 HydrophobicContact CE2-CD2 4.04Å; Y256-F260 HydrophobicContact CG-CD2 4.28Å; Y256-F260 WeakPolarHBondContact O-CA 3.08Å; Y256-F260 WeakPolarHBondContact O-CB 3.48Å; Y256-F260 WeakPolarHBondContact O-CD2 3.43Å; Y256-F260 PolarHBondContact O-N 2.94Å
257N81.8Confident82.9Confident33 Ų3366.6 Ų66.618%0.17635%0.349CS..Hα-helixtrans-65.3-38.7177.3-74.7-10.2000111.9E253 G261 V270E253-N257 VanDerWaalsContact O-CB 3.31Å; E253-N257 WeakPolarHBondContact O-CB 3.32Å; E253-N257 VanDerWaalsContact O-CG 3.3Å; E253-N257 PolarHBondContact O-N 3.16Å; E253-N257 PolarHBondContact O-ND2 3.04Å; N257-G261 WeakPolarHBondContact O-CA 3.3Å; N257-G261 PolarHBondContact O-N 3.23Å; N257-V270 HydrophobicContact CB-CG1 3.83Å; N257-V270 WeakPolarHBondContact O-CG1 3.43Å
258Q77.6Confident82.4Confident127 Ų12763 Ų6359%0.59334%0.339SS*.Hα-helixtrans-66.7-37.1176.2-75.7171.97.600113.8T254 H255T254-Q258 WeakPolarHBondContact O-CB 3.2Å; T254-Q258 WeakPolarHBondContact O-CG 3.48Å; T254-Q258 PolarHBondContact O-N 3.29Å; H255-Q258 PolarHBondContact CD2-OE1 3.49Å; H255-Q258 PolarHBondContact O-N 2.82Å
259L78.6Confident82Confident83 Ų8369.8 Ų69.844%0.43535%0.35SS..Hα-helixtrans-87.9-30.5-176-68.2170000113K233 Y251 H255 Y256K233-L259 HydrophobicContact CG-CD1 4.47Å; Y251-L259 HydrophobicContact CD1-CD1 3.92Å; Y251-L259 HydrophobicContact CE1-CD1 3.66Å; H255-L259 VanDerWaalsContact O-CB 3.3Å; H255-L259 WeakPolarHBondContact O-CB 3.33Å; H255-L259 WeakPolarHBondContact O-CD1 3.4Å; H255-L259 VanDerWaalsContact O-CG 3.23Å; H255-L259 WeakPolarHBondContact O-CG 3.24Å; H255-L259 PolarHBondContact O-N 3.08Å; Y256-L259 PolarHBondContact O-N 3.2Å
260F80.3Confident81.4Confident94 Ų9467.7 Ų67.741%0.41234%0.34SS..Hα-helixtrans-133.9-2.4-168.8-48.2-65.4000114.1R246 Y251 Y256R246-F260 HydrophobicContact CB-CE2 4.41Å; R246-F260 HydrophobicContact CG-CE2 4.45Å; R246-F260 HydrophobicContact CG-CZ 4.39Å; Y251-F260 HydrophobicContact CD1-CE2 4.42Å; Y251-F260 HydrophobicContact CD2-CE2 4.04Å; Y251-F260 HydrophobicContact CE1-CE2 4.2Å; Y251-F260 AromaticContact CE2-CE2 3.81Å; Y251-F260 HydrophobicContact CE2-CE2 3.81Å; Y251-F260 HydrophobicContact CE2-CZ 4.21Å; Y251-F260 HydrophobicContact CG-CE2 4.34Å; Y251-F260 AromaticContact CZ-CE2 3.9Å; Y256-F260 AromaticContact CD2-CD2 3.78Å; Y256-F260 HydrophobicContact CD2-CD2 3.78Å; Y256-F260 HydrophobicContact CD2-CE2 4.35Å; Y256-F260 HydrophobicContact CE2-CD2 4.04Å; Y256-F260 HydrophobicContact CG-CD2 4.28Å; Y256-F260 WeakPolarHBondContact O-CA 3.08Å; Y256-F260 WeakPolarHBondContact O-CB 3.48Å; Y256-F260 WeakPolarHBondContact O-CD2 3.43Å; Y256-F260 PolarHBondContact O-N 2.94Å
261G75.8Confident80.9Confident23 Ų2368.5 Ų68.524%0.23734%0.344CS..SBendtrans-81.9155176.800000112.1N257N257-G261 WeakPolarHBondContact O-CA 3.3Å; N257-G261 PolarHBondContact O-N 3.23Å
262D75.6Confident79.8Confident84 Ų8475.1 Ų75.145%0.44938%0.376SS..PPolyproline II helixtrans-75.3127.1176-70.9-52.5000110.5I271 V275 A282D262-I271 HydrophobicContact CB-CD1 4.2Å; D262-I271 WeakPolarHBondContact O-CB 3.41Å; D262-I271 WeakPolarHBondContact O-CG1 3.13Å; D262-I271 PolarHBondContact O-N 2.88Å; D262-V275 HydrophobicContact CB-CG2 4.1Å; D262-A282 HydrophobicContact CB-CB 3.94Å
263V77.2Confident78.9Confident74 Ų7476.9 Ų76.945%0.44840%0.398SS..BIsolated β-bridgetrans-92127.7176.9-178.30000109.3F265 V270V263-F265 PolarHBondContact O-N 3.49Å; V263-V270 HydrophobicContact CG2-CG2 4.4Å
264C81.6Confident78.5Confident0 Ų079 Ų790%041%0.412CS..PPolyproline II helixtrans-68.4126176.3175.10000111.1H266 C267 N268 R269 I271 A282 C284 C287C264-H266 PolarHBondContact O-N 2.87Å; C264-H266 PolarHBondContact SG-N 2.89Å; C264-H266 VanDerWaalsContact SG-N 3.45Å; C264-C267 WeakPolarHBondContact CB-SG 3.42Å; C264-N268 VanDerWaalsContact O-CA 3.27Å; C264-N268 WeakPolarHBondContact O-CA 3.36Å; C264-N268 PolarHBondContact O-N 2.86Å; C264-R269 PolarHBondContact N-O 2.81Å; C264-I271 HydrophobicContact CB-CD1 3.98Å; C264-I271 HydrophobicContact CB-CG1 3.77Å; C264-A282 WeakPolarHBondContact CA-O 3.38Å; C264-C284 HydrophobicContact CB-CB 3.98Å; C264-C284 PolarHBondContact SG-N 2.86Å; C264-C287 WeakPolarHBondContact SG-CB 3.13Å; C264-C287 PolarHBondContact SG-SG 3.34Å
265F81.3Confident78.4Confident79 Ų7977.9 Ų77.935%0.34641%0.405SS..THydrogen-bonded Turntrans-59.2-28.8179.7-178.8-106.3000114.7V263 K281 A282 W283 M308V263-F265 PolarHBondContact O-N 3.49Å; F265-K281 HydrophobicContact CB-CB 4.24Å; F265-K281 HydrophobicContact CB-CD 4.28Å; F265-K281 HydrophobicContact CD1-CD 3.82Å; F265-K281 HydrophobicContact CD2-CD 3.63Å; F265-K281 HydrophobicContact CD2-CG 4.33Å; F265-K281 HydrophobicContact CE1-CD 3.97Å; F265-K281 HydrophobicContact CE2-CD 3.79Å; F265-K281 HydrophobicContact CG-CB 4.49Å; F265-K281 HydrophobicContact CG-CD 3.63Å; F265-K281 HydrophobicContact CG-CG 4.4Å; F265-K281 HydrophobicContact CZ-CD 3.95Å; F265-A282 PolarHBondContact N-O 3.11Å; F265-W283 HydrophobicContact CB-CD2 4.45Å; F265-W283 HydrophobicContact CB-CZ2 4.39Å; F265-W283 AromaticContact CD1-CH2 3.46Å; F265-W283 HydrophobicContact CD1-CH2 3.46Å; F265-W283 VanDerWaalsContact CD1-CH2 3.46Å; F265-W283 AromaticContact CD1-CZ2 3.64Å; F265-W283 HydrophobicContact CD1-CZ2 3.64Å; F265-W283 HydrophobicContact CD1-CZ3 4.07Å; F265-W283 HydrophobicContact CE1-CH2 4.11Å; F265-W283 HydrophobicContact CE1-CZ2 4.35Å; F265-W283 HydrophobicContact CG-CH2 4.45Å; F265-W283 HydrophobicContact CG-CZ2 4.37Å; F265-M308 HydrophobicContact CE1-CB 4.31Å; F265-M308 HydrophobicContact CZ-CB 4.3Å
266H81.3Confident78.2Confident115 Ų11577 Ų7753%0.53240%0.402SS..THydrogen-bonded Turntrans-85.4-51.3179.8-173.7-19.5000112.5C264 W283 C287C264-H266 PolarHBondContact O-N 2.87Å; C264-H266 PolarHBondContact SG-N 2.89Å; C264-H266 VanDerWaalsContact SG-N 3.45Å; H266-W283 HydrophobicContact CB-CE3 4.15Å; H266-W283 HydrophobicContact CB-CZ3 3.96Å; H266-C287 HydrophobicContact CB-CB 4.05Å
267C82.9Confident78.1Confident47 Ų4779 Ų7932%0.31842%0.422SS..THydrogen-bonded Turntrans-95.8-5.6-171.7690000113.6C264 R269C264-C267 WeakPolarHBondContact CB-SG 3.42Å; C267-R269 PolarHBondContact O-N 2.91Å
268N74.9Confident77.9Confident126 Ų12677.8 Ų77.867%0.67442%0.417SS*.  trans52.723.2-176.7-66.8-26.9000114C264C264-N268 VanDerWaalsContact O-CA 3.27Å; C264-N268 WeakPolarHBondContact O-CA 3.36Å; C264-N268 PolarHBondContact O-N 2.86Å
269R76.8Confident78Confident190 Ų19073.6 Ų73.672%0.71740%0.398SS*.SBendtrans-101.7150.1173.3-62-177.7-173.3-173.70.2109.7C264 C267 I271C264-R269 PolarHBondContact N-O 2.81Å; C267-R269 PolarHBondContact O-N 2.91Å; R269-I271 PolarHBondContact O-N 3.15Å
270V75.8Confident77.9Confident39 Ų3978.1 Ų78.124%0.23642%0.423CS..BIsolated β-bridgetrans-64134.3171.6-174.50000109N257 V263 E272N257-V270 HydrophobicContact CB-CG1 3.83Å; N257-V270 WeakPolarHBondContact O-CG1 3.43Å; V263-V270 HydrophobicContact CG2-CG2 4.4Å; V270-E272 PolarHBondContact O-N 3.03Å
271I79.4Confident78Confident23 Ų2376.4 Ų76.412%0.11842%0.415CS..  trans-80.5104.3-179.9-59165.9000107.8D262 C264 R269 G273 V275 A282 W283 C284D262-I271 HydrophobicContact CB-CD1 4.2Å; D262-I271 WeakPolarHBondContact O-CB 3.41Å; D262-I271 WeakPolarHBondContact O-CG1 3.13Å; D262-I271 PolarHBondContact O-N 2.88Å; C264-I271 HydrophobicContact CB-CD1 3.98Å; C264-I271 HydrophobicContact CB-CG1 3.77Å; R269-I271 PolarHBondContact O-N 3.15Å; I271-G273 PolarHBondContact O-N 3.26Å; I271-V275 HydrophobicContact CD1-CB 4.43Å; I271-V275 HydrophobicContact CD1-CG2 3.88Å; I271-A282 HydrophobicContact CD1-CB 4.11Å; I271-W283 VanDerWaalsContact CD1-C 3.42Å; I271-W283 WeakPolarHBondContact CD1-O 3.47Å; I271-C284 HydrophobicContact CG1-CB 4.08Å
272E67Low78.3Confident167 Ų16776.1 Ų76.178%0.7841%0.411SS*.  trans-84.884171.7-65.3177.2174.900108.7V270V270-E272 PolarHBondContact O-N 3.03Å
273G70.9Confident78.8Confident61 Ų6172.3 Ų72.363%0.62939%0.39SS*.SBendtrans133.9-142.6177.600000114.2I271 V275I271-G273 PolarHBondContact O-N 3.26Å; G273-V275 PolarHBondContact O-N 3.13Å
274D74.3Confident79.1Confident136 Ų13669.8 Ų69.873%0.72738%0.375SS*.  trans-63.4121.4-177-69.5-33.6000111.9V285D274-V285 HydrophobicContact CB-CG2 3.82Å; D274-V285 WeakPolarHBondContact O-CG2 3.32Å
275V81.7Confident79.2Confident57 Ų5773.3 Ų73.335%0.34540%0.397SS..EExtended strand (participates in β ladder)trans-91.4129.5174.3610000110.4D262 I271 G273 A282D262-V275 HydrophobicContact CB-CG2 4.1Å; I271-V275 HydrophobicContact CD1-CB 4.43Å; I271-V275 HydrophobicContact CD1-CG2 3.88Å; G273-V275 PolarHBondContact O-N 3.13Å; V275-A282 HydrophobicContact CG2-CB 3.78Å
276V82Confident79.3Confident19 Ų1974.9 Ų74.912%0.11541%0.409CS..EExtended strand (participates in β ladder)trans-96.3103.4169.2-178.50000108.2A278 W283 V285 F288 L299V276-A278 HydrophobicContact CG1-CB 4.49Å; V276-A278 PolarHBondContact O-N 3.42Å; V276-W283 HydrophobicContact CB-CB 4.28Å; V276-W283 PolarHBondContact N-O 2.76Å; V276-W283 PolarHBondContact O-N 2.86Å; V276-V285 HydrophobicContact CG2-CG2 4.31Å; V276-F288 HydrophobicContact CB-CB 4.41Å; V276-F288 HydrophobicContact CB-CG 4.43Å; V276-F288 HydrophobicContact CG1-CB 4.27Å; V276-F288 HydrophobicContact CG1-CD1 3.72Å; V276-F288 HydrophobicContact CG1-CD2 4.16Å; V276-F288 HydrophobicContact CG1-CE1 4.08Å; V276-F288 HydrophobicContact CG1-CE2 4.48Å; V276-F288 HydrophobicContact CG1-CG 3.79Å; V276-F288 HydrophobicContact CG1-CZ 4.45Å; V276-L299 HydrophobicContact CG1-CD2 4.21Å; V276-L299 HydrophobicContact CG1-CG 4.2Å
277S83.1Confident79.4Confident82 Ų8270.3 Ų70.357%0.57339%0.39SS*.EExtended strand (participates in β ladder)trans-86.2106.1175.1-61.90000110.3K281S277-K281 WeakPolarHBondContact CA-O 3.24Å
278A79Confident79.6Confident8 Ų868.1 Ų68.17%0.06637%0.374CS..EExtended strand (participates in β ladder)trans-147.4146.3-179.700000110.4V276 N280 K281 W283 F288 L299 F303V276-A278 HydrophobicContact CG1-CB 4.49Å; V276-A278 PolarHBondContact O-N 3.42Å; A278-N280 VanDerWaalsContact C-N 3.3Å; A278-N280 PolarHBondContact O-N 3.34Å; A278-K281 PolarHBondContact N-O 3.31Å; A278-K281 PolarHBondContact O-N 3.02Å; A278-K281 VanDerWaalsContact O-N 3.08Å; A278-W283 PolarHBondContact O-NE1 3.35Å; A278-F288 HydrophobicContact CB-CD2 4.41Å; A278-F288 HydrophobicContact CB-CE2 3.56Å; A278-F288 HydrophobicContact CB-CZ 3.81Å; A278-L299 HydrophobicContact CB-CD2 4.23Å; A278-F303 HydrophobicContact CB-CZ 4.11Å
279L78.6Confident80.1Confident38 Ų3863 Ų6320%0.19935%0.35CS..THydrogen-bonded Turntrans59.237.9180-48.2177.1000113.1K281 W283 F303 E305 P310L279-K281 WeakPolarHBondContact O-CG 3.2Å; L279-K281 PolarHBondContact O-N 2.92Å; L279-K281 VanDerWaalsContact O-N 3.14Å; L279-W283 HydrophobicContact CD1-CZ2 4.38Å; L279-F303 HydrophobicContact CD2-CE2 3.98Å; L279-F303 HydrophobicContact CG-CE2 4.34Å; L279-E305 HydrophobicContact CD1-CB 4.25Å; L279-E305 HydrophobicContact CD1-CG 3.99Å; L279-E305 HydrophobicContact CD2-CB 3.75Å; L279-E305 HydrophobicContact CD2-CG 4.12Å; L279-P310 HydrophobicContact CD1-CB 4.35Å
280N76.1Confident80.6Confident179 Ų17954 Ų5496%0.95732%0.316SS*.THydrogen-bonded Turntrans53.328.9-172.6-70.1-8.7000114.1A278A278-N280 VanDerWaalsContact C-N 3.3Å; A278-N280 PolarHBondContact O-N 3.34Å
281K81.9Confident81Confident58 Ų5854.7 Ų54.725%0.25232%0.323SS..EExtended strand (participates in β ladder)trans-138.2154.6-178.1-67.6170.8-170.4-58.80110.9F265 S277 A278 L279 W283 M308F265-K281 HydrophobicContact CB-CB 4.24Å; F265-K281 HydrophobicContact CB-CD 4.28Å; F265-K281 HydrophobicContact CD1-CD 3.82Å; F265-K281 HydrophobicContact CD2-CD 3.63Å; F265-K281 HydrophobicContact CD2-CG 4.33Å; F265-K281 HydrophobicContact CE1-CD 3.97Å; F265-K281 HydrophobicContact CE2-CD 3.79Å; F265-K281 HydrophobicContact CG-CB 4.49Å; F265-K281 HydrophobicContact CG-CD 3.63Å; F265-K281 HydrophobicContact CG-CG 4.4Å; F265-K281 HydrophobicContact CZ-CD 3.95Å; S277-K281 WeakPolarHBondContact CA-O 3.24Å; A278-K281 PolarHBondContact N-O 3.31Å; A278-K281 PolarHBondContact O-N 3.02Å; A278-K281 VanDerWaalsContact O-N 3.08Å; L279-K281 WeakPolarHBondContact O-CG 3.2Å; L279-K281 PolarHBondContact O-N 2.92Å; L279-K281 VanDerWaalsContact O-N 3.14Å; K281-W283 HydrophobicContact CD-CZ2 4.43Å; K281-W283 VanDerWaalsContact O-CD1 3.31Å; K281-M308 VanDerWaalsContact CE-CE 3.43Å
282A83.8Confident81.1Confident17 Ų1757.5 Ų57.514%0.1434%0.341CS..EExtended strand (participates in β ladder)trans-92.4135.5173.500000110.8D262 C264 F265 I271 V275D262-A282 HydrophobicContact CB-CB 3.94Å; C264-A282 WeakPolarHBondContact CA-O 3.38Å; F265-A282 PolarHBondContact N-O 3.11Å; I271-A282 HydrophobicContact CD1-CB 4.11Å; V275-A282 HydrophobicContact CG2-CB 3.78Å
283W85.4Confident82Confident4 Ų452.1 Ų52.12%0.01532%0.321CS..EExtended strand (participates in β ladder)trans-131.4141.7-179.5-55.777.9000110.7F265 H266 I271 V276 A278 L279 K281 F288F265-W283 HydrophobicContact CB-CD2 4.45Å; F265-W283 HydrophobicContact CB-CZ2 4.39Å; F265-W283 AromaticContact CD1-CH2 3.46Å; F265-W283 HydrophobicContact CD1-CH2 3.46Å; F265-W283 VanDerWaalsContact CD1-CH2 3.46Å; F265-W283 AromaticContact CD1-CZ2 3.64Å; F265-W283 HydrophobicContact CD1-CZ2 3.64Å; F265-W283 HydrophobicContact CD1-CZ3 4.07Å; F265-W283 HydrophobicContact CE1-CH2 4.11Å; F265-W283 HydrophobicContact CE1-CZ2 4.35Å; F265-W283 HydrophobicContact CG-CH2 4.45Å; F265-W283 HydrophobicContact CG-CZ2 4.37Å; H266-W283 HydrophobicContact CB-CE3 4.15Å; H266-W283 HydrophobicContact CB-CZ3 3.96Å; I271-W283 VanDerWaalsContact CD1-C 3.42Å; I271-W283 WeakPolarHBondContact CD1-O 3.47Å; V276-W283 HydrophobicContact CB-CB 4.28Å; V276-W283 PolarHBondContact N-O 2.76Å; V276-W283 PolarHBondContact O-N 2.86Å; A278-W283 PolarHBondContact O-NE1 3.35Å; L279-W283 HydrophobicContact CD1-CZ2 4.38Å; K281-W283 HydrophobicContact CD-CZ2 4.43Å; K281-W283 VanDerWaalsContact O-CD1 3.31Å; W283-F288 HydrophobicContact CB-CB 3.98Å; W283-F288 HydrophobicContact CB-CD2 4.08Å; W283-F288 HydrophobicContact CB-CG 4.42Å; W283-F288 HydrophobicContact CD2-CD2 4.01Å; W283-F288 HydrophobicContact CE3-CD2 4.45Å; W283-F288 AromaticContact CG-CD2 3.83Å; W283-F288 HydrophobicContact CG-CD2 3.83Å
284C84.4Confident82.6Confident21 Ų2155.5 Ų55.514%0.14233%0.325CS..EExtended strand (participates in β ladder)trans-70.8146.7169.698.50000109.6C264 I271 N286 C287 F288C264-C284 HydrophobicContact CB-CB 3.98Å; C264-C284 PolarHBondContact SG-N 2.86Å; I271-C284 HydrophobicContact CG1-CB 4.08Å; C284-N286 PolarHBondContact O-N 2.79Å; C284-C287 HydrophobicContact CB-CB 4.01Å; C284-C287 WeakPolarHBondContact CB-SG 3.39Å; C284-C287 PolarHBondContact O-N 2.9Å; C284-C287 WeakPolarHBondContact SG-CB 3.33Å; C284-C287 PolarHBondContact SG-N 2.69Å; C284-C287 CovalentContact SG-SG 2.06Å; C284-C287 PolarHBondContact SG-SG 2.92Å; C284-F288 PolarHBondContact O-N 2.81Å
285V83.1Confident83.1Confident74 Ų7453 Ų5345%0.44831%0.314SS..THydrogen-bonded Turntrans-53.6-32.6178.8-177.40000112.4D274 V276D274-V285 HydrophobicContact CB-CG2 3.82Å; D274-V285 WeakPolarHBondContact O-CG2 3.32Å; V276-V285 HydrophobicContact CG2-CG2 4.31Å
286N82.5Confident83.3Confident112 Ų11256.4 Ų56.460%0.59933%0.325SS*.THydrogen-bonded Turntrans-80.4-21.3177.8-68.4-41.7000114C284 K296C284-N286 PolarHBondContact O-N 2.79Å; N286-K296 PolarHBondContact OD1-NZ 2.95Å
287C83.3Confident83.3Confident19 Ų1956 Ų5613%0.12832%0.322CS..THydrogen-bonded Turntrans-97.6-20.5-172.3-51.50000112.2C264 H266 C284 A289C264-C287 WeakPolarHBondContact SG-CB 3.13Å; C264-C287 PolarHBondContact SG-SG 3.34Å; H266-C287 HydrophobicContact CB-CB 4.05Å; C284-C287 HydrophobicContact CB-CB 4.01Å; C284-C287 WeakPolarHBondContact CB-SG 3.39Å; C284-C287 PolarHBondContact O-N 2.9Å; C284-C287 WeakPolarHBondContact SG-CB 3.33Å; C284-C287 PolarHBondContact SG-N 2.69Å; C284-C287 CovalentContact SG-SG 2.06Å; C284-C287 PolarHBondContact SG-SG 2.92Å; C287-A289 VanDerWaalsContact C-N 3.33Å; C287-A289 PolarHBondContact O-N 3.07Å
288F87.2Confident83.3Confident0 Ų055.3 Ų55.30%031%0.314CS..  trans-77.484175.6-167.6-113.8000110V276 A278 W283 C284 L297 F303 P310V276-F288 HydrophobicContact CB-CB 4.41Å; V276-F288 HydrophobicContact CB-CG 4.43Å; V276-F288 HydrophobicContact CG1-CB 4.27Å; V276-F288 HydrophobicContact CG1-CD1 3.72Å; V276-F288 HydrophobicContact CG1-CD2 4.16Å; V276-F288 HydrophobicContact CG1-CE1 4.08Å; V276-F288 HydrophobicContact CG1-CE2 4.48Å; V276-F288 HydrophobicContact CG1-CG 3.79Å; V276-F288 HydrophobicContact CG1-CZ 4.45Å; A278-F288 HydrophobicContact CB-CD2 4.41Å; A278-F288 HydrophobicContact CB-CE2 3.56Å; A278-F288 HydrophobicContact CB-CZ 3.81Å; W283-F288 HydrophobicContact CB-CB 3.98Å; W283-F288 HydrophobicContact CB-CD2 4.08Å; W283-F288 HydrophobicContact CB-CG 4.42Å; W283-F288 HydrophobicContact CD2-CD2 4.01Å; W283-F288 HydrophobicContact CE3-CD2 4.45Å; W283-F288 AromaticContact CG-CD2 3.83Å; W283-F288 HydrophobicContact CG-CD2 3.83Å; C284-F288 PolarHBondContact O-N 2.81Å; F288-L297 VanDerWaalsContact CD1-C 3.5Å; F288-L297 HydrophobicContact CD1-CB 3.59Å; F288-L297 WeakPolarHBondContact CD1-O 3.41Å; F288-L297 HydrophobicContact CE1-CB 3.46Å; F288-L297 VanDerWaalsContact CE1-CB 3.46Å; F288-L297 HydrophobicContact CG-CB 4.46Å; F288-L297 HydrophobicContact CZ-CB 4.27Å; F288-L297 PolarHBondContact O-N 3.29Å; F288-F303 HydrophobicContact CE1-CD1 4.37Å; F288-F303 HydrophobicContact CE1-CE1 4.16Å; F288-F303 AromaticContact CZ-CD1 4Å; F288-F303 HydrophobicContact CZ-CD1 4Å; F288-F303 HydrophobicContact CZ-CD2 4.36Å; F288-F303 AromaticContact CZ-CE1 3.68Å; F288-F303 HydrophobicContact CZ-CE1 3.68Å; F288-F303 HydrophobicContact CZ-CE2 4.04Å; F288-F303 HydrophobicContact CZ-CG 4.36Å; F288-F303 AromaticContact CZ-CZ 3.71Å; F288-F303 HydrophobicContact CZ-CZ 3.71Å; F288-P310 HydrophobicContact CD2-CG 3.93Å; F288-P310 HydrophobicContact CE2-CB 3.84Å; F288-P310 HydrophobicContact CE2-CG 3.72Å; F288-P310 HydrophobicContact CZ-CB 4.18Å; F288-P310 HydrophobicContact CZ-CG 4.43Å
289A85.9Confident83.2Confident20 Ų2060.4 Ų60.417%0.16534%0.34CS..BIsolated β-bridgetrans-138.4155.3-17600000111.9C287 S291 T295C287-A289 VanDerWaalsContact C-N 3.33Å; C287-A289 PolarHBondContact O-N 3.07Å; A289-S291 PolarHBondContact O-N 2.9Å; A289-T295 WeakPolarHBondContact CA-O 3.17Å
290C86.9Confident83.2Confident0 Ų068 Ų680%037%0.371CS..  trans-61.2123.1179.7178.80000111.3T292 C293 N294 T295 L297 P310 C312C290-T292 PolarHBondContact O-N 3.49Å; C290-C293 WeakPolarHBondContact CB-SG 3.13Å; C290-C293 PolarHBondContact O-N 3.16Å; C290-C293 PolarHBondContact SG-SG 3.45Å; C290-N294 VanDerWaalsContact O-CA 3.23Å; C290-N294 WeakPolarHBondContact O-CA 3.46Å; C290-N294 PolarHBondContact O-N 3.46Å; C290-T295 PolarHBondContact N-O 3.08Å; C290-L297 HydrophobicContact CB-CD1 4.21Å; C290-L297 HydrophobicContact CB-CG 4.5Å; C290-P310 CarbonylContact C-O 3.55Å; C290-P310 VanDerWaalsContact CA-O 3.3Å; C290-P310 WeakPolarHBondContact CA-O 3.29Å; C290-C312 HydrophobicContact CB-CB 4.06Å; C290-C312 PolarHBondContact SG-N 3.29Å; C290-C312 VanDerWaalsContact SG-SG 3.67Å
291S84.8Confident83.4Confident54 Ų5462.9 Ų62.938%0.37834%0.344SS..THydrogen-bonded Turntrans-61.9-17.9-179.3-168.40000114.7A289 P310A289-S291 PolarHBondContact O-N 2.9Å; S291-P310 PolarHBondContact N-O 2.91Å
292T82Confident83.3Confident81 Ų8168 Ų6850%0.49737%0.366SS..THydrogen-bonded Turntrans-100-30-177.6-45.80000113C290 C315C290-T292 PolarHBondContact O-N 3.49Å; T292-C315 HydrophobicContact CG2-CB 4.19Å
293C85.7Confident83.2Confident54 Ų5469.8 Ų69.837%0.36537%0.371SS..THydrogen-bonded Turntrans-128.33.5-174.7700000114.4C290 T295 C315C290-C293 WeakPolarHBondContact CB-SG 3.13Å; C290-C293 PolarHBondContact O-N 3.16Å; C290-C293 PolarHBondContact SG-SG 3.45Å; C293-T295 PolarHBondContact O-N 3.38Å; C293-T295 PolarHBondContact SG-OG1 3.45Å; C293-C315 VanDerWaalsContact SG-SG 3.65Å
294N82.8Confident83.1Confident132 Ų13272 Ų7271%0.70638%0.384SS*.  trans52.214.6-178.7-69.6-19.5000115.6C290 K296C290-N294 VanDerWaalsContact O-CA 3.23Å; C290-N294 WeakPolarHBondContact O-CA 3.46Å; C290-N294 PolarHBondContact O-N 3.46Å; N294-K296 PolarHBondContact O-N 2.91Å
295T85.6Confident82.9Confident83 Ų8374.6 Ų74.651%0.50939%0.394SS..PPolyproline II helixtrans-69.1127.7175.5-51.20000109.4A289 C290 C293 L297A289-T295 WeakPolarHBondContact CA-O 3.17Å; C290-T295 PolarHBondContact N-O 3.08Å; C293-T295 PolarHBondContact O-N 3.38Å; C293-T295 PolarHBondContact SG-OG1 3.45Å; T295-L297 PolarHBondContact O-N 3.13Å
296K84.5Confident82.7Confident129 Ų12973.9 Ų73.956%0.56139%0.385SS*.BIsolated β-bridgetrans-56.4127.5176.2-62.3-169.9-177.7-169.40109.9N286 N294N286-K296 PolarHBondContact OD1-NZ 2.95Å; N294-K296 PolarHBondContact O-N 2.91Å
297L83.2Confident82.4Confident11 Ų1174.5 Ų74.56%0.05839%0.389CS..PPolyproline II helixtrans-100.5159.5177.3-66.6173.5000109.2F288 C290 T295 N301 F303 P310 C312F288-L297 VanDerWaalsContact CD1-C 3.5Å; F288-L297 HydrophobicContact CD1-CB 3.59Å; F288-L297 WeakPolarHBondContact CD1-O 3.41Å; F288-L297 HydrophobicContact CE1-CB 3.46Å; F288-L297 VanDerWaalsContact CE1-CB 3.46Å; F288-L297 HydrophobicContact CG-CB 4.46Å; F288-L297 HydrophobicContact CZ-CB 4.27Å; F288-L297 PolarHBondContact O-N 3.29Å; C290-L297 HydrophobicContact CB-CD1 4.21Å; C290-L297 HydrophobicContact CB-CG 4.5Å; T295-L297 PolarHBondContact O-N 3.13Å; L297-N301 HydrophobicContact CD2-CB 4.12Å; L297-F303 HydrophobicContact CD1-CB 4Å; L297-P310 HydrophobicContact CD1-CB 3.81Å; L297-P310 HydrophobicContact CD1-CG 4.23Å; L297-C312 HydrophobicContact CD2-CB 3.93Å
298T82.2Confident82.1Confident67 Ų6778 Ų7841%0.41140%0.404SS..  trans-135.1165.1170.765.30000107.3K300 N301T298-K300 PolarHBondContact O-N 3.41Å; T298-K300 VanDerWaalsContact O-N 3.09Å; T298-K300 PolarHBondContact OG1-N 3.41Å; T298-N301 PolarHBondContact N-ND2 2.91Å; T298-N301 WeakPolarHBondContact O-CB 3.23Å; T298-N301 PolarHBondContact O-N 3.49Å; T298-N301 PolarHBondContact OG1-ND2 2.96Å
299L77.5Confident81.8Confident116 Ų11681.9 Ų81.961%0.60742%0.421SS*.THydrogen-bonded Turntrans-60.4-18.4175.2-66.3171.4000113.2V276 A278V276-L299 HydrophobicContact CG1-CD2 4.21Å; V276-L299 HydrophobicContact CG1-CG 4.2Å; A278-L299 HydrophobicContact CB-CD2 4.23Å
300K77.7Confident81.7Confident198 Ų19881 Ų8186%0.86141%0.414SS*.THydrogen-bonded Turntrans-77.9-21.7174.6-63.7-177178.8179.30112.9T298T298-K300 PolarHBondContact O-N 3.41Å; T298-K300 VanDerWaalsContact O-N 3.09Å; T298-K300 PolarHBondContact OG1-N 3.41Å
301N81.4Confident81.6Confident71 Ų7181 Ų8138%0.3841%0.414SS..SBendtrans-81.9140.9-178.2-66.2-23000110.3L297 T298 F303L297-N301 HydrophobicContact CD2-CB 4.12Å; T298-N301 PolarHBondContact N-ND2 2.91Å; T298-N301 WeakPolarHBondContact O-CB 3.23Å; T298-N301 PolarHBondContact O-N 3.49Å; T298-N301 PolarHBondContact OG1-ND2 2.96Å; N301-F303 WeakPolarHBondContact O-CD1 3.29Å; N301-F303 PolarHBondContact O-N 3.12Å
302K78.6Confident81.7Confident166 Ų16679.2 Ų79.272%0.72240%0.401SS*.  trans-75.8116.3171.6-65.8-173.6179.6-176.80109.8K313K302-K313 HydrophobicContact CB-CB 4.44Å; K302-K313 PolarHBondContact O-N 3.37Å
303F83.4Confident81.7Confident54 Ų5480.3 Ų80.324%0.23740%0.399CS..EExtended strand (participates in β ladder)trans-131.1162.4176.862.6-92.1000111.1A278 L279 F288 L297 N301 P310 V311A278-F303 HydrophobicContact CB-CZ 4.11Å; L279-F303 HydrophobicContact CD2-CE2 3.98Å; L279-F303 HydrophobicContact CG-CE2 4.34Å; F288-F303 HydrophobicContact CE1-CD1 4.37Å; F288-F303 HydrophobicContact CE1-CE1 4.16Å; F288-F303 AromaticContact CZ-CD1 4Å; F288-F303 HydrophobicContact CZ-CD1 4Å; F288-F303 HydrophobicContact CZ-CD2 4.36Å; F288-F303 AromaticContact CZ-CE1 3.68Å; F288-F303 HydrophobicContact CZ-CE1 3.68Å; F288-F303 HydrophobicContact CZ-CE2 4.04Å; F288-F303 HydrophobicContact CZ-CG 4.36Å; F288-F303 AromaticContact CZ-CZ 3.71Å; F288-F303 HydrophobicContact CZ-CZ 3.71Å; L297-F303 HydrophobicContact CD1-CB 4Å; N301-F303 WeakPolarHBondContact O-CD1 3.29Å; N301-F303 PolarHBondContact O-N 3.12Å; F303-P310 HydrophobicContact CD2-CB 4.02Å; F303-P310 HydrophobicContact CG-CB 4.43Å; F303-V311 CarbonylContact C-O 3.57Å; F303-V311 VanDerWaalsContact CA-O 3.24Å; F303-V311 WeakPolarHBondContact CA-O 3.24Å; F303-V311 WeakPolarHBondContact CB-O 3.47Å
304V81.6Confident81.5Confident49 Ų4985.8 Ų85.830%0.29742%0.417SS..EExtended strand (participates in β ladder)trans-126144.9178-177.50000108.3V311 Y316V304-V311 PolarHBondContact N-O 3.31Å; V304-V311 PolarHBondContact O-N 3.13Å; V304-Y316 HydrophobicContact CB-CD2 4.02Å; V304-Y316 HydrophobicContact CB-CE2 4.44Å; V304-Y316 HydrophobicContact CB-CG 4.33Å; V304-Y316 HydrophobicContact CG1-CD2 3.94Å; V304-Y316 HydrophobicContact CG1-CE2 3.89Å; V304-Y316 HydrophobicContact CG2-CD1 4.22Å; V304-Y316 HydrophobicContact CG2-CD2 4.07Å; V304-Y316 HydrophobicContact CG2-CE2 4.44Å; V304-Y316 HydrophobicContact CG2-CG 3.95Å
305E80.5Confident81.5Confident76 Ų7680 Ų8036%0.35539%0.387SS..EExtended strand (participates in β ladder)trans-77125.7172.3-173.2169.2-171.600110.8L279L279-E305 HydrophobicContact CD1-CB 4.25Å; L279-E305 HydrophobicContact CD1-CG 3.99Å; L279-E305 HydrophobicContact CD2-CB 3.75Å; L279-E305 HydrophobicContact CD2-CG 4.12Å
306F79.3Confident81.3Confident59 Ų5978.6 Ų78.626%0.25937%0.372SS..EExtended strand (participates in β ladder)trans-139.2123.8172.2-178.2-105.4000108.8M308 K309 V311 F319 L323 L327F306-M308 VanDerWaalsContact C-N 3.29Å; F306-M308 PolarHBondContact O-N 3.22Å; F306-K309 PolarHBondContact N-O 2.83Å; F306-K309 PolarHBondContact O-N 2.81Å; F306-V311 HydrophobicContact CB-CB 4.45Å; F306-V311 HydrophobicContact CB-CG2 3.68Å; F306-V311 HydrophobicContact CD1-CG2 4.45Å; F306-V311 HydrophobicContact CG-CG2 4.46Å; F306-F319 HydrophobicContact CB-CE2 4.45Å; F306-F319 AromaticContact CD1-CE2 3.96Å; F306-F319 HydrophobicContact CD1-CE2 3.96Å; F306-F319 HydrophobicContact CD1-CZ 4.1Å; F306-F319 AromaticContact CD2-CE2 3.8Å; F306-F319 HydrophobicContact CD2-CE2 3.8Å; F306-F319 HydrophobicContact CE1-CE2 4.12Å; F306-F319 HydrophobicContact CE1-CZ 4.22Å; F306-F319 AromaticContact CE2-CE2 3.98Å; F306-F319 HydrophobicContact CE2-CE2 3.98Å; F306-F319 AromaticContact CG-CE2 3.79Å; F306-F319 HydrophobicContact CG-CE2 3.79Å; F306-F319 HydrophobicContact CG-CZ 4.35Å; F306-F319 HydrophobicContact CZ-CE2 4.13Å; F306-L323 HydrophobicContact CE2-CD1 4.09Å; F306-L323 HydrophobicContact CE2-CD2 4.02Å; F306-L323 HydrophobicContact CE2-CG 4.19Å; F306-L323 HydrophobicContact CZ-CD1 4.49Å; F306-L323 HydrophobicContact CZ-CD2 4.08Å; F306-L327 HydrophobicContact CD2-CD1 3.45Å; F306-L327 VanDerWaalsContact CD2-CD1 3.45Å; F306-L327 HydrophobicContact CD2-CD2 3.48Å; F306-L327 VanDerWaalsContact CD2-CD2 3.48Å; F306-L327 HydrophobicContact CD2-CG 4.02Å; F306-L327 HydrophobicContact CE2-CD1 3.85Å; F306-L327 HydrophobicContact CE2-CD2 3.88Å; F306-L327 HydrophobicContact CE2-CG 4.28Å
307D77.4Confident81.2Confident126 Ų12677.6 Ų77.667%0.67437%0.37SS*.THydrogen-bonded Turntrans51.747.4179.5-164.539.3000112.8K309D307-K309 PolarHBondContact O-N 3.4Å; D307-K309 VanDerWaalsContact O-N 3.08Å
308M75.5Confident81.1Confident91 Ų9185.7 Ų85.745%0.44840%0.404SS..THydrogen-bonded Turntrans61.714.9-178.7-52.7-65.3-75.500114.9F265 K281 F306F265-M308 HydrophobicContact CE1-CB 4.31Å; F265-M308 HydrophobicContact CZ-CB 4.3Å; K281-M308 VanDerWaalsContact CE-CE 3.43Å; F306-M308 VanDerWaalsContact C-N 3.29Å; F306-M308 PolarHBondContact O-N 3.22Å
309K81.5Confident81Confident83 Ų8383.9 Ų83.936%0.36139%0.391SS..EExtended strand (participates in β ladder)trans-128.2151.2-179.7-66.7177.3-177.3173.90111.6F306 D307F306-K309 PolarHBondContact N-O 2.83Å; F306-K309 PolarHBondContact O-N 2.81Å; D307-K309 PolarHBondContact O-N 3.4Å; D307-K309 VanDerWaalsContact O-N 3.08Å
310P84.1Confident81.1Confident1 Ų182.6 Ų82.61%0.00639%0.389CS..EExtended strand (participates in β ladder)trans-77.7134.9178.431.6-34.4000111L279 F288 C290 S291 L297 F303L279-P310 HydrophobicContact CD1-CB 4.35Å; F288-P310 HydrophobicContact CD2-CG 3.93Å; F288-P310 HydrophobicContact CE2-CB 3.84Å; F288-P310 HydrophobicContact CE2-CG 3.72Å; F288-P310 HydrophobicContact CZ-CB 4.18Å; F288-P310 HydrophobicContact CZ-CG 4.43Å; C290-P310 CarbonylContact C-O 3.55Å; C290-P310 VanDerWaalsContact CA-O 3.3Å; C290-P310 WeakPolarHBondContact CA-O 3.29Å; S291-P310 PolarHBondContact N-O 2.91Å; L297-P310 HydrophobicContact CD1-CB 3.81Å; L297-P310 HydrophobicContact CD1-CG 4.23Å; F303-P310 HydrophobicContact CD2-CB 4.02Å; F303-P310 HydrophobicContact CG-CB 4.43Å
311V83.7Confident80.9Confident0 Ų079.5 Ų79.50%038%0.382CS..EExtended strand (participates in β ladder)trans-122131.1174.6177.10000109.1F303 V304 F306 C315 F319F303-V311 CarbonylContact C-O 3.57Å; F303-V311 VanDerWaalsContact CA-O 3.24Å; F303-V311 WeakPolarHBondContact CA-O 3.24Å; F303-V311 WeakPolarHBondContact CB-O 3.47Å; V304-V311 PolarHBondContact N-O 3.31Å; V304-V311 PolarHBondContact O-N 3.13Å; F306-V311 HydrophobicContact CB-CB 4.45Å; F306-V311 HydrophobicContact CB-CG2 3.68Å; F306-V311 HydrophobicContact CD1-CG2 4.45Å; F306-V311 HydrophobicContact CG-CG2 4.46Å; V311-C315 HydrophobicContact CG1-CB 3.62Å; V311-F319 HydrophobicContact CG1-CZ 4.38Å
312C86.9Confident80.4Confident17 Ų1783.1 Ų83.112%0.11540%0.396CS..EExtended strand (participates in β ladder)trans-68.1151.6-179.877.40000111.1C290 L297 K314 C315 Y316C290-C312 HydrophobicContact CB-CB 4.06Å; C290-C312 PolarHBondContact SG-N 3.29Å; C290-C312 VanDerWaalsContact SG-SG 3.67Å; L297-C312 HydrophobicContact CD2-CB 3.93Å; C312-K314 PolarHBondContact O-N 3.31Å; C312-K314 VanDerWaalsContact O-N 3.13Å; C312-C315 PolarHBondContact O-N 3.28Å; C312-C315 PolarHBondContact SG-N 2.97Å; C312-C315 VanDerWaalsContact SG-N 3.38Å; C312-Y316 PolarHBondContact O-N 2.87Å
313K82.6Confident80.2Confident103 Ų10377.8 Ų77.845%0.44838%0.375SS..Hα-helixtrans-51.1-40.2178.5-176.7177.4170.2-176.60113.2K302 C315 Y316 E317K302-K313 HydrophobicContact CB-CB 4.44Å; K302-K313 PolarHBondContact O-N 3.37Å; K313-C315 VanDerWaalsContact C-N 3.34Å; K313-C315 PolarHBondContact O-N 2.89Å; K313-Y316 PolarHBondContact O-N 3.22Å; K313-E317 WeakPolarHBondContact CE-OE1 3.22Å; K313-E317 IonicContact NZ-OE1 3.66Å; K313-E317 WeakPolarHBondContact O-CG 3.47Å; K313-E317 PolarHBondContact O-N 3.44Å
314K82.5Confident79.7Confident169 Ų16977.3 Ų77.374%0.73537%0.373SS*.Hα-helixtrans-62.5-37.6179.2-64.3-176.9179.6-179.40112.9C312C312-K314 PolarHBondContact O-N 3.31Å; C312-K314 VanDerWaalsContact O-N 3.13Å
315C82.3Confident79.3Confident12 Ų1282.7 Ų82.78%0.08139%0.393CS..Hα-helixtrans-78-37.9176.3-73.60000111.3T292 C293 V311 C312 K313 E317 K318 F319T292-C315 HydrophobicContact CG2-CB 4.19Å; C293-C315 VanDerWaalsContact SG-SG 3.65Å; V311-C315 HydrophobicContact CG1-CB 3.62Å; C312-C315 PolarHBondContact O-N 3.28Å; C312-C315 PolarHBondContact SG-N 2.97Å; C312-C315 VanDerWaalsContact SG-N 3.38Å; K313-C315 VanDerWaalsContact C-N 3.34Å; K313-C315 PolarHBondContact O-N 2.89Å; C315-E317 VanDerWaalsContact C-N 3.3Å; C315-E317 PolarHBondContact O-N 2.89Å; C315-K318 PolarHBondContact O-N 3.26Å; C315-K318 VanDerWaalsContact O-N 3.09Å; C315-F319 WeakPolarHBondContact O-CD1 3.46Å
316Y81.4Confident78.9Confident52 Ų5287.3 Ų87.320%0.20441%0.407CS..Hα-helixtrans-59.1-40.6174.4-179.7-101.4000112.1V304 C312 K313 K318 F319 K324 L327V304-Y316 HydrophobicContact CB-CD2 4.02Å; V304-Y316 HydrophobicContact CB-CE2 4.44Å; V304-Y316 HydrophobicContact CB-CG 4.33Å; V304-Y316 HydrophobicContact CG1-CD2 3.94Å; V304-Y316 HydrophobicContact CG1-CE2 3.89Å; V304-Y316 HydrophobicContact CG2-CD1 4.22Å; V304-Y316 HydrophobicContact CG2-CD2 4.07Å; V304-Y316 HydrophobicContact CG2-CE2 4.44Å; V304-Y316 HydrophobicContact CG2-CG 3.95Å; C312-Y316 PolarHBondContact O-N 2.87Å; K313-Y316 PolarHBondContact O-N 3.22Å; Y316-K318 PolarHBondContact O-N 3.43Å; Y316-F319 HydrophobicContact CD2-CD2 4.44Å; Y316-F319 WeakPolarHBondContact O-CB 3.49Å; Y316-F319 PolarHBondContact O-N 2.97Å; Y316-F319 VanDerWaalsContact O-N 3.12Å; Y316-K324 HydrophobicContact CE1-CG 4.38Å; Y316-K324 HydrophobicContact CE2-CG 4.26Å; Y316-K324 WeakPolarHBondContact O-CE 3.43Å; Y316-L327 HydrophobicContact CE2-CD1 3.99Å
317E81.8Confident78.5Confident108 Ų10885.7 Ų85.751%0.50540%0.401SS..Hα-helixtrans-64-22.9176.9-77.1174.3178.800113.7K313 C315 F319 K324K313-E317 WeakPolarHBondContact CE-OE1 3.22Å; K313-E317 IonicContact NZ-OE1 3.66Å; K313-E317 WeakPolarHBondContact O-CG 3.47Å; K313-E317 PolarHBondContact O-N 3.44Å; C315-E317 VanDerWaalsContact C-N 3.3Å; C315-E317 PolarHBondContact O-N 2.89Å; E317-F319 VanDerWaalsContact C-N 3.34Å; E317-K324 PolarHBondContact O-NZ 2.85Å
318K80.6Confident78.2Confident181 Ų18186.1 Ų86.179%0.78740%0.397SS*.THydrogen-bonded Turntrans-82.2-9.2176-65.7-178.4180-173.30113.8C315 Y316C315-K318 PolarHBondContact O-N 3.26Å; C315-K318 VanDerWaalsContact O-N 3.09Å; Y316-K318 PolarHBondContact O-N 3.43Å
319F80.4Confident77.9Confident30 Ų3089 Ų8913%0.13241%0.406CS..SBendtrans-70.4145.1-179.6-75.76.1000112.1F306 V311 C315 Y316 E317 L323 K324 L327F306-F319 HydrophobicContact CB-CE2 4.45Å; F306-F319 AromaticContact CD1-CE2 3.96Å; F306-F319 HydrophobicContact CD1-CE2 3.96Å; F306-F319 HydrophobicContact CD1-CZ 4.1Å; F306-F319 AromaticContact CD2-CE2 3.8Å; F306-F319 HydrophobicContact CD2-CE2 3.8Å; F306-F319 HydrophobicContact CE1-CE2 4.12Å; F306-F319 HydrophobicContact CE1-CZ 4.22Å; F306-F319 AromaticContact CE2-CE2 3.98Å; F306-F319 HydrophobicContact CE2-CE2 3.98Å; F306-F319 AromaticContact CG-CE2 3.79Å; F306-F319 HydrophobicContact CG-CE2 3.79Å; F306-F319 HydrophobicContact CG-CZ 4.35Å; F306-F319 HydrophobicContact CZ-CE2 4.13Å; V311-F319 HydrophobicContact CG1-CZ 4.38Å; C315-F319 WeakPolarHBondContact O-CD1 3.46Å; Y316-F319 HydrophobicContact CD2-CD2 4.44Å; Y316-F319 WeakPolarHBondContact O-CB 3.49Å; Y316-F319 PolarHBondContact O-N 2.97Å; Y316-F319 VanDerWaalsContact O-N 3.12Å; E317-F319 VanDerWaalsContact C-N 3.34Å; F319-L323 HydrophobicContact CB-CD2 4.24Å; F319-L323 HydrophobicContact CD2-CD2 3.65Å; F319-L323 HydrophobicContact CD2-CG 4.32Å; F319-L323 HydrophobicContact CE2-CD2 4.13Å; F319-L323 HydrophobicContact CG-CD2 4.01Å; F319-K324 HydrophobicContact CB-CG 4.16Å; F319-K324 WeakPolarHBondContact O-CE 3.39Å; F319-K324 PolarHBondContact O-NZ 2.89Å; F319-L327 HydrophobicContact CD2-CD1 4.25Å
320P79.5Confident77.2Confident88 Ų8889.7 Ų89.757%0.57141%0.414SS*.  trans-52.5142.8172.8-25.734000112E322 L323 K324P320-E322 PolarHBondContact O-N 3.5Å; P320-L323 WeakPolarHBondContact O-CB 3.4Å; P320-L323 PolarHBondContact O-N 3.33Å; P320-K324 PolarHBondContact O-N 2.85Å; P320-K324 VanDerWaalsContact O-N 3.17Å
321L73.1Confident76.3Confident134 Ų13492.7 Ų92.770%0.70244%0.439SS*.Hα-helixtrans-57.5-34.7-176.6-77.5161.7000112.9K324 K325L321-K324 PolarHBondContact O-N 3.13Å; L321-K325 WeakPolarHBondContact O-CG 3.34Å; L321-K325 PolarHBondContact O-N 3.38Å; L321-K325 VanDerWaalsContact O-N 3.12Å
322E72.3Confident75.4Confident147 Ų14798 Ų9869%0.68746%0.463SS*.Hα-helixtrans-64.9-38.8176.3-64.8-175.7169.900112.5P320 K325 R326P320-E322 PolarHBondContact O-N 3.5Å; E322-K325 PolarHBondContact O-N 3.22Å; E322-R326 WeakPolarHBondContact O-CG 3.36Å; E322-R326 PolarHBondContact O-N 3.15Å; E322-R326 VanDerWaalsContact O-N 3.13Å
323L73.1Confident74.2Confident54 Ų54101.2 Ų101.228%0.28348%0.483SS..Hα-helixtrans-69-41.6178.7-170.863.3000111F306 F319 P320 K325 R326 L327F306-L323 HydrophobicContact CE2-CD1 4.09Å; F306-L323 HydrophobicContact CE2-CD2 4.02Å; F306-L323 HydrophobicContact CE2-CG 4.19Å; F306-L323 HydrophobicContact CZ-CD1 4.49Å; F306-L323 HydrophobicContact CZ-CD2 4.08Å; F319-L323 HydrophobicContact CB-CD2 4.24Å; F319-L323 HydrophobicContact CD2-CD2 3.65Å; F319-L323 HydrophobicContact CD2-CG 4.32Å; F319-L323 HydrophobicContact CE2-CD2 4.13Å; F319-L323 HydrophobicContact CG-CD2 4.01Å; P320-L323 WeakPolarHBondContact O-CB 3.4Å; P320-L323 PolarHBondContact O-N 3.33Å; L323-K325 VanDerWaalsContact C-N 3.35Å; L323-K325 PolarHBondContact O-N 3.05Å; L323-R326 PolarHBondContact O-N 3.36Å; L323-L327 HydrophobicContact CG-CD1 4.31Å; L323-L327 WeakPolarHBondContact O-CG 3.36Å; L323-L327 PolarHBondContact O-N 3.37Å
324K73.8Confident73.1Confident44 Ų44102.5 Ų102.519%0.19149%0.494CS..Hα-helixtrans-60.4-41.3174.3-68.9173.2177.9154.10112.4Y316 E317 F319 P320 L321 L327 K328Y316-K324 HydrophobicContact CE1-CG 4.38Å; Y316-K324 HydrophobicContact CE2-CG 4.26Å; Y316-K324 WeakPolarHBondContact O-CE 3.43Å; E317-K324 PolarHBondContact O-NZ 2.85Å; F319-K324 HydrophobicContact CB-CG 4.16Å; F319-K324 WeakPolarHBondContact O-CE 3.39Å; F319-K324 PolarHBondContact O-NZ 2.89Å; P320-K324 PolarHBondContact O-N 2.85Å; P320-K324 VanDerWaalsContact O-N 3.17Å; L321-K324 PolarHBondContact O-N 3.13Å; K324-L327 PolarHBondContact O-N 3.32Å; K324-K328 WeakPolarHBondContact O-CB 3.25Å; K324-K328 PolarHBondContact O-N 2.9Å
325K72.6Confident71.7Confident161 Ų16197.8 Ų97.870%0.749%0.493SS*.Hα-helixtrans-62.9-41.9175.9-75.6-179.6-179.4179.80111.9L321 E322 L323 K328 K329L321-K325 WeakPolarHBondContact O-CG 3.34Å; L321-K325 PolarHBondContact O-N 3.38Å; L321-K325 VanDerWaalsContact O-N 3.12Å; E322-K325 PolarHBondContact O-N 3.22Å; L323-K325 VanDerWaalsContact C-N 3.35Å; L323-K325 PolarHBondContact O-N 3.05Å; K325-K328 PolarHBondContact O-N 2.97Å; K325-K329 PolarHBondContact O-N 3.07Å; K325-K329 VanDerWaalsContact O-N 3.1Å
326R72.7Confident70.1Confident173 Ų173108 Ų10865%0.65353%0.53SS*.Hα-helixtrans-64.2-42.3176.4-72.3180179.6-174.41.7112.2E322 L323 K329 L330E322-R326 WeakPolarHBondContact O-CG 3.36Å; E322-R326 PolarHBondContact O-N 3.15Å; E322-R326 VanDerWaalsContact O-N 3.13Å; L323-R326 PolarHBondContact O-N 3.36Å; R326-K329 PolarHBondContact O-N 2.86Å; R326-L330 PolarHBondContact O-N 3.19Å
327L71.3Confident67.9Low26 Ų26118 Ų11814%0.13658%0.575CS.*Hα-helixtrans-66.9-40.2178.2-68.2167.8000112.6F306 Y316 F319 L323 K324 K329 L330 A331F306-L327 HydrophobicContact CD2-CD1 3.45Å; F306-L327 VanDerWaalsContact CD2-CD1 3.45Å; F306-L327 HydrophobicContact CD2-CD2 3.48Å; F306-L327 VanDerWaalsContact CD2-CD2 3.48Å; F306-L327 HydrophobicContact CD2-CG 4.02Å; F306-L327 HydrophobicContact CE2-CD1 3.85Å; F306-L327 HydrophobicContact CE2-CD2 3.88Å; F306-L327 HydrophobicContact CE2-CG 4.28Å; Y316-L327 HydrophobicContact CE2-CD1 3.99Å; F319-L327 HydrophobicContact CD2-CD1 4.25Å; L323-L327 HydrophobicContact CG-CD1 4.31Å; L323-L327 WeakPolarHBondContact O-CG 3.36Å; L323-L327 PolarHBondContact O-N 3.37Å; K324-L327 PolarHBondContact O-N 3.32Å; L327-K329 VanDerWaalsContact C-N 3.33Å; L327-K329 PolarHBondContact O-N 3.05Å; L327-L330 PolarHBondContact O-N 3.43Å; L327-A331 WeakPolarHBondContact O-CB 3.01Å; L327-A331 PolarHBondContact O-N 2.87Å
328K70.6Confident67.2Low134 Ų134118.6 Ų118.658%0.58358%0.578SS**Hα-helixtrans-61.1-43.5174.2-166.6-178.6179.5-172.20111.4K324 K325 L330 A331 E332K324-K328 WeakPolarHBondContact O-CB 3.25Å; K324-K328 PolarHBondContact O-N 2.9Å; K325-K328 PolarHBondContact O-N 2.97Å; K328-L330 PolarHBondContact O-N 2.85Å; K328-A331 PolarHBondContact O-N 3.14Å; K328-E332 VanDerWaalsContact CE-OE1 3.3Å; K328-E332 WeakPolarHBondContact CE-OE1 3.5Å; K328-E332 WeakPolarHBondContact O-CB 3.32Å; K328-E332 VanDerWaalsContact O-CG 3.28Å; K328-E332 WeakPolarHBondContact O-CG 3.49Å; K328-E332 PolarHBondContact O-N 2.99Å
329K69.8Low66.5Low151 Ų151115.3 Ų115.366%0.65757%0.567SS**Hα-helixtrans-62.9-39.9175.6-167.5175.7-178.5179.60112.4K325 R326 L327 E332 T333K325-K329 PolarHBondContact O-N 3.07Å; K325-K329 VanDerWaalsContact O-N 3.1Å; R326-K329 PolarHBondContact O-N 2.86Å; L327-K329 VanDerWaalsContact C-N 3.33Å; L327-K329 PolarHBondContact O-N 3.05Å; K329-E332 PolarHBondContact O-N 3.05Å; K329-T333 WeakPolarHBondContact O-CG2 3.12Å; K329-T333 PolarHBondContact O-N 3.27Å; K329-T333 VanDerWaalsContact O-N 3.1Å; K329-T333 PolarHBondContact O-OG1 3.07Å
330L65.9Low65.7Low98 Ų98120 Ų12051%0.51359%0.592SS.*Hα-helixtrans-66.3-43175.8-83.9160.8000112.6R326 L327 K328 T333 L334R326-L330 PolarHBondContact O-N 3.19Å; L327-L330 PolarHBondContact O-N 3.43Å; K328-L330 PolarHBondContact O-N 2.85Å; L330-T333 WeakPolarHBondContact CA-OG1 3.41Å; L330-T333 PolarHBondContact O-N 3.14Å; L330-T333 PolarHBondContact O-OG1 3.03Å; L330-L334 PolarHBondContact O-N 3.14Å
331A65.5Low64.9Low64 Ų64121.9 Ų121.953%0.52959%0.593SS.*Hα-helixtrans-63.7-40.1175.800000111.9L327 K328 T333 L334 G335L327-A331 WeakPolarHBondContact O-CB 3.01Å; L327-A331 PolarHBondContact O-N 2.87Å; K328-A331 PolarHBondContact O-N 3.14Å; A331-T333 VanDerWaalsContact C-N 3.32Å; A331-T333 PolarHBondContact O-N 3.49Å; A331-L334 PolarHBondContact O-N 3.43Å; A331-G335 PolarHBondContact O-N 3.47Å
332E65.2Low64.4Low111 Ų111121.1 Ų121.152%0.51959%0.586SS.*Hα-helixtrans-65.1-32.9175.3-74.1168-176.700112.6K328 K329K328-E332 VanDerWaalsContact CE-OE1 3.3Å; K328-E332 WeakPolarHBondContact CE-OE1 3.5Å; K328-E332 WeakPolarHBondContact O-CB 3.32Å; K328-E332 VanDerWaalsContact O-CG 3.28Å; K328-E332 WeakPolarHBondContact O-CG 3.49Å; K328-E332 PolarHBondContact O-N 2.99Å; K329-E332 PolarHBondContact O-N 3.05Å
333T60.8Low63.9Low86 Ų86119.4 Ų119.453%0.52858%0.579SS.*Hα-helixtrans-76.8-30174.847.50000114.1K329 L330 A331K329-T333 WeakPolarHBondContact O-CG2 3.12Å; K329-T333 PolarHBondContact O-N 3.27Å; K329-T333 VanDerWaalsContact O-N 3.1Å; K329-T333 PolarHBondContact O-OG1 3.07Å; L330-T333 WeakPolarHBondContact CA-OG1 3.41Å; L330-T333 PolarHBondContact O-N 3.14Å; L330-T333 PolarHBondContact O-OG1 3.03Å; A331-T333 VanDerWaalsContact C-N 3.32Å; A331-T333 PolarHBondContact O-N 3.49Å
334L59.7Low63.2Low129 Ų129124.1 Ų124.168%0.67560%0.6SS**Hα-helixtrans-81.1-27.1178.7-79.4159.3000112.8L330 A331 R336L330-L334 PolarHBondContact O-N 3.14Å; A331-L334 PolarHBondContact O-N 3.43Å; L334-R336 VanDerWaalsContact C-N 3.29Å; L334-R336 PolarHBondContact O-N 3.01Å
335G52.8Low62.4Low70 Ų70130.2 Ų130.272%0.72263%0.632SS**THydrogen-bonded Turntrans-80.54.4178.100000116A331A331-G335 PolarHBondContact O-N 3.47Å
336R48.2Very low61.5Low227 Ų227127.7 Ų127.786%0.85763%0.626SS**THydrogen-bonded Turntrans-107.914.4-179.3-83.5-174175.9-177-0114.3L334L334-R336 VanDerWaalsContact C-N 3.29Å; L334-R336 PolarHBondContact O-N 3.01Å
337K35.8Very low60.5Low263 Ų263123.5 Ų123.5100%1.14362%0.624SS**  trans-1180176.6-82.5-171.2175.2-176.10112.1

Retrieved 337 of 337 residues in 822 ms (Link to these results)