A0A3Q0KCK2_SCHMA Loading...

Putative f-box protein

AlphaFold DB , UniProt , Accession A0A3Q0KCK2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 664 aa.

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

 

Download Structure   PDB   PAE   Table  
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
1M24.4Very low37.2Very low242 Ų242116.1 Ų116.1100%1.19256%0.563SS**  0102.40-67.1-167.9-165.600108R3M1-R3 PolarHBondContact O-N 2.96Å
2Q26.2Very low37.9Very low189 Ų189112.3 Ų112.388%0.88354%0.543SS*.PPolyproline II helixtrans-63.4130.3172.6-74.7174.6-14.100108.2
3R25.4Very low37.8Very low227 Ų227111.2 Ų111.286%0.85755%0.547SS*.PPolyproline II helixtrans-57.7138.1179.9-70.3-176.5-179.9-176.40.8108.8M1M1-R3 PolarHBondContact O-N 2.96Å
4P29.4Very low37.5Very low79 Ų79113.4 Ų113.451%0.51357%0.57SS.*PPolyproline II helixtrans-54.6149.1172.123.5-31.7000110.1Q6P4-Q6 PolarHBondContact O-N 3.47Å; P4-Q6 VanDerWaalsContact O-N 3.13Å
5L33.6Very low37.1Very low46 Ų46112.4 Ų112.424%0.24158%0.577CS.*PPolyproline II helixtrans-51118.7173.5-76.7163.2000108.8L654 R655 A658 I664L5-L654 HydrophobicContact CB-CD1 4.06Å; L5-L654 HydrophobicContact CD1-CD1 4.07Å; L5-L654 HydrophobicContact CD2-CD1 3.78Å; L5-L654 HydrophobicContact CD2-CG 4.45Å; L5-L654 HydrophobicContact CG-CD1 4.16Å; L5-R655 HydrophobicContact CD2-CB 4.46Å; L5-A658 HydrophobicContact CD1-CB 3.45Å; L5-A658 VanDerWaalsContact CD1-CB 3.45Å; L5-A658 HydrophobicContact CD2-CB 3.19Å; L5-A658 HydrophobicContact CG-CB 3.4Å; L5-A658 VanDerWaalsContact CG-CB 3.4Å; L5-I664 HydrophobicContact CD1-CD1 3.7Å; L5-I664 HydrophobicContact CD1-CG1 3.9Å
6Q37.7Very low37Very low136 Ų136114 Ų11464%0.63659%0.594SS**  trans-107.2122.2171.7-77.4-176.5-29.100107.3P4 V8P4-Q6 PolarHBondContact O-N 3.47Å; P4-Q6 VanDerWaalsContact O-N 3.13Å; Q6-V8 PolarHBondContact O-N 3.12Å; Q6-V8 VanDerWaalsContact O-N 3.1Å
7W43.5Very low36.9Very low44 Ų44116.2 Ų116.217%0.16760%0.601CS.*  trans-56.8113.9160-66.6101.4000107.5S550 A551 L569 F652 L654W7-S550 VanDerWaalsContact CD1-C 3.45Å; W7-S550 PolarHBondContact NE1-O 2.94Å; W7-A551 HydrophobicContact CZ2-CB 4.22Å; W7-A551 VanDerWaalsContact NE1-CA 3.33Å; W7-L569 HydrophobicContact CH2-CD1 3.35Å; W7-L569 HydrophobicContact CH2-CG 4.44Å; W7-L569 HydrophobicContact CZ2-CD1 4.49Å; W7-L569 HydrophobicContact CZ3-CD1 3.66Å; W7-L569 HydrophobicContact CZ3-CG 4.39Å; W7-F652 HydrophobicContact CB-CD1 4.46Å; W7-F652 HydrophobicContact CE3-CB 3.49Å; W7-F652 VanDerWaalsContact CE3-CB 3.49Å; W7-F652 HydrophobicContact CE3-CD1 4.46Å; W7-F652 HydrophobicContact CE3-CG 4.26Å; W7-F652 HydrophobicContact CZ3-CB 3.64Å; W7-L654 HydrophobicContact CE3-CB 4.39Å; W7-L654 HydrophobicContact CH2-CB 4.3Å; W7-L654 HydrophobicContact CZ3-CB 3.95Å
8V43.1Very low37Very low83 Ų83124.1 Ų124.150%0.50362%0.621SS.*BIsolated β-bridgetrans-98.9111.6172.4-175.40000106.1Q6 P10Q6-V8 PolarHBondContact O-N 3.12Å; Q6-V8 VanDerWaalsContact O-N 3.1Å; V8-P10 WeakPolarHBondContact O-CD 3.32Å
9S51.3Low37.2Very low36 Ų36127 Ų12725%0.25263%0.63SS.*PPolyproline II helixtrans-73118.8156.6-173.70000106.1Q11 Y644S9-Q11 PolarHBondContact O-N 3.35Å; S9-Y644 WeakPolarHBondContact OG-CE1 3.41Å
10P49.7Very low37.5Very low19 Ų19130.1 Ų130.112%0.12364%0.64CS.*PPolyproline II helixtrans-61.7131.3174.1-12.224.8000108.8V8 Q12 Y58 F63 F651V8-P10 WeakPolarHBondContact O-CD 3.32Å; P10-Q12 PolarHBondContact O-N 3.45Å; P10-Q12 VanDerWaalsContact O-N 3.14Å; P10-Y58 WeakPolarHBondContact CB-OH 3.46Å; P10-Y58 HydrophobicContact CG-CE1 4.25Å; P10-Y58 WeakPolarHBondContact CG-OH 3.47Å; P10-F63 HydrophobicContact CB-CB 4.38Å; P10-F63 HydrophobicContact CB-CD1 4.22Å; P10-F651 HydrophobicContact CG-CD1 3.39Å; P10-F651 HydrophobicContact CG-CE1 3.55Å
11Q45.2Very low38.2Very low176 Ų176130.1 Ų130.182%0.82264%0.638SS**PPolyproline II helixtrans-58.3120.4177.7-67.1-178.1-17.700108.7S9 T13S9-Q11 PolarHBondContact O-N 3.35Å; Q11-T13 PolarHBondContact O-N 3.41Å; Q11-T13 VanDerWaalsContact O-N 3.17Å
12Q45Very low40.5Very low71 Ų71122.6 Ų122.633%0.33261%0.606SS.*  trans-64.7115.7166.6-71-179.11300106.8P10 T14P10-Q12 PolarHBondContact O-N 3.45Å; P10-Q12 VanDerWaalsContact O-N 3.14Å; Q12-T14 PolarHBondContact O-N 3.28Å; Q12-T14 VanDerWaalsContact O-N 3.11Å
13T37.4Very low43Very low97 Ų97113.9 Ų113.960%0.59557%0.566SS**  trans-60.4116.4171.737.80000108.4Q11 C15Q11-T13 PolarHBondContact O-N 3.41Å; Q11-T13 VanDerWaalsContact O-N 3.17Å; T13-C15 PolarHBondContact O-N 3.18Å
14T32.5Very low45.7Very low142 Ų142103.1 Ų103.187%0.87153%0.525SS*.  trans-65.195.7173.2450000108.4Q12Q12-T14 PolarHBondContact O-N 3.28Å; Q12-T14 VanDerWaalsContact O-N 3.11Å
15C32.4Very low48.1Very low99 Ų99101.2 Ų101.267%0.66951%0.514SS*.  trans-97.7119.6171.9-150.70000109.2T13 E17T13-C15 PolarHBondContact O-N 3.18Å; C15-E17 VanDerWaalsContact C-N 3.29Å; C15-E17 PolarHBondContact O-N 2.75Å; C15-E17 VanDerWaalsContact O-N 3.12Å
16T35.8Very low50.1Low138 Ų138100.5 Ų100.585%0.84751%0.509SS*.  trans-8364.5179470000110.7
17E35.5Very low52.3Low152 Ų15294.1 Ų94.171%0.7148%0.479SS*.SBendtrans-141.2139.1162.3-73.9-154.9178.300111.4C15 F19C15-E17 VanDerWaalsContact C-N 3.29Å; C15-E17 PolarHBondContact O-N 2.75Å; C15-E17 VanDerWaalsContact O-N 3.12Å; E17-F19 PolarHBondContact O-N 3.05Å
18R38.1Very low54.2Low258 Ų25893.4 Ų93.497%0.97448%0.477SS*.  trans-70.130.4-164.7-111.7179.1-179.3173.50.2115.3
19F40.3Very low56.3Low179 Ų17989.5 Ų89.579%0.78545%0.454SS*.  trans-95.9116.9177.4-77.3-80000112.4E17E17-F19 PolarHBondContact O-N 3.05Å
20K44.2Very low58.2Low189 Ų18988 Ų8882%0.82244%0.443SS*.SBendtrans-39.6126.1175.5-89.9170.1165.3175.40114
21H52.5Low60.3Low130 Ų13087.6 Ų87.660%0.60244%0.441SS*.  trans65.691.3170.6-50.4-69.8000115.8S23 W56H21-S23 PolarHBondContact O-N 3.11Å; H21-W56 HydrophobicContact CB-CH2 4.03Å; H21-W56 WeakPolarHBondContact O-CH2 3.46Å
22T71.5Confident62.5Low84 Ų8479.8 Ų79.852%0.51541%0.405SS..SBendtrans-75-5.9171.350.80000113.6W65T22-W65 WeakPolarHBondContact O-CB 3.34Å
23S79Confident64.9Low6 Ų678 Ų784%0.04240%0.398CS..SBendtrans-161.7163.3-178.960.20000111.1H21 W56 T648H21-S23 PolarHBondContact O-N 3.11Å; S23-W56 WeakPolarHBondContact O-CH2 3.38Å; S23-T648 WeakPolarHBondContact OG-CG2 3.43Å
24P82.7Confident67.5Low1 Ų175.5 Ų75.51%0.00638%0.381CS..PPolyproline II helixtrans-59.3144.6173.5-15.924.9000111.7W56 W65 F570 A649P24-W56 HydrophobicContact CB-CD2 4.26Å; P24-W56 HydrophobicContact CB-CG 4.27Å; P24-W56 HydrophobicContact CG-CB 3.94Å; P24-W56 HydrophobicContact CG-CD2 3.66Å; P24-W56 HydrophobicContact CG-CE3 4.07Å; P24-W56 HydrophobicContact CG-CG 3.6Å; P24-W65 VanDerWaalsContact CD-CD2 3.43Å; P24-W65 HydrophobicContact CG-CD2 4.05Å; P24-W65 HydrophobicContact CG-CE3 3.68Å; P24-W65 HydrophobicContact CG-CH2 4.15Å; P24-W65 HydrophobicContact CG-CZ2 4.48Å; P24-W65 HydrophobicContact CG-CZ3 3.72Å; P24-F570 HydrophobicContact CB-CE2 4.27Å; P24-F570 HydrophobicContact CB-CZ 3.9Å; P24-F570 HydrophobicContact CG-CE2 4.05Å; P24-F570 HydrophobicContact CG-CZ 4.09Å; P24-A649 HydrophobicContact CB-CB 4.16Å; P24-A649 WeakPolarHBondContact O-CB 3.46Å; P24-A649 PolarHBondContact O-N 3.38Å
25S79.4Confident70.4Confident39 Ų3969.9 Ų69.927%0.27334%0.344SS..BIsolated β-bridgetrans-65.2156.1167.758.80000111.6R27 A649S25-R27 WeakPolarHBondContact O-CG 2.93Å; S25-R27 PolarHBondContact O-N 3.36Å; S25-R27 PolarHBondContact O-NE 2.87Å; S25-R27 PolarHBondContact OG-NH2 2.96Å; S25-A649 WeakPolarHBondContact O-CB 3.33Å
26K74.6Confident73.2Confident31 Ų3171.9 Ų71.914%0.13534%0.344CS..SBendtrans-53.6134.7171.2-167.1178.1-170.8177.80111.4G572 T574 D577 G647K26-G572 WeakPolarHBondContact CE-O 3.43Å; K26-T574 PolarHBondContact NZ-OG1 2.97Å; K26-D577 WeakPolarHBondContact CE-OD2 3.25Å; K26-D577 IonicContact NZ-OD1 2.98Å; K26-D577 PolarHBondContact NZ-OD1 3.05Å; K26-D577 IonicContact NZ-OD2 2.66Å; K26-D577 PolarHBondContact NZ-OD2 2.95Å; K26-G647 PolarHBondContact N-O 3.02Å
27R84.1Confident75.8Confident2 Ų269.4 Ų69.41%0.00832%0.323CS..  trans-164.3155.8-172.960.4-171.671.9-165-1.3111.5S25 A30 G43 A45 F52 D54 F570 G571 G572S25-R27 WeakPolarHBondContact O-CG 2.93Å; S25-R27 PolarHBondContact O-N 3.36Å; S25-R27 PolarHBondContact O-NE 2.87Å; S25-R27 PolarHBondContact OG-NH2 2.96Å; R27-A30 HydrophobicContact CG-CB 4.39Å; R27-G43 WeakPolarHBondContact CD-O 3.28Å; R27-G43 PolarHBondContact NH1-O 3.48Å; R27-A45 CarbonylContact C-O 3.59Å; R27-A45 WeakPolarHBondContact CA-O 3.49Å; R27-A45 WeakPolarHBondContact CB-O 3.49Å; R27-F52 HydrophobicContact CB-CD2 4.36Å; R27-F52 HydrophobicContact CB-CE2 4.17Å; R27-D54 IonicContact CZ-OD1 3.66Å; R27-D54 IonicContact CZ-OD2 2.84Å; R27-D54 IonicContact NH1-OD1 3.37Å; R27-D54 PolarHBondContact NH1-OD1 3.02Å; R27-D54 IonicContact NH1-OD2 2.68Å; R27-D54 PolarHBondContact NH1-OD2 3.32Å; R27-D54 IonicContact NH2-OD1 3.03Å; R27-D54 IonicContact NH2-OD2 2.77Å; R27-D54 PolarHBondContact NH2-OD2 3.46Å; R27-F570 HydrophobicContact CG-CE1 3.74Å; R27-F570 HydrophobicContact CG-CZ 4.07Å; R27-G571 CarbonylContact O-C 3.6Å; R27-G571 WeakPolarHBondContact O-CA 3.41Å; R27-G572 PolarHBondContact O-N 2.81Å
28F84Confident78.5Confident29 Ų2964.1 Ų64.113%0.12730%0.299CS..BIsolated β-bridgetrans-115.1163.2169.174-87.5000111.5A30 G44 A45 T46 L49 H80 L556 G557 L573F28-A30 PolarHBondContact O-N 3.28Å; F28-G44 CarbonylContact O-C 3.48Å; F28-G44 WeakPolarHBondContact O-CA 3.18Å; F28-A45 HydrophobicContact CD1-CB 4.38Å; F28-A45 WeakPolarHBondContact CD1-O 3.4Å; F28-A45 HydrophobicContact CE1-CB 3.86Å; F28-A45 HydrophobicContact CZ-CB 3.97Å; F28-A45 PolarHBondContact N-O 2.62Å; F28-A45 PolarHBondContact O-N 2.97Å; F28-T46 WeakPolarHBondContact CE1-O 3.37Å; F28-L49 HydrophobicContact CE1-CD2 4.16Å; F28-L49 HydrophobicContact CZ-CD2 3.73Å; F28-H80 AromaticContact CD2-CE1 3.87Å; F28-H80 AromaticContact CD2-NE2 3.57Å; F28-H80 AromaticContact CE2-NE2 3.33Å; F28-H80 VanDerWaalsContact CE2-NE2 3.33Å; F28-H80 WeakPolarHBondContact CE2-NE2 3.33Å; F28-L556 WeakPolarHBondContact CB-O 3.46Å; F28-G557 CarbonylContact C-O 3.49Å; F28-G557 WeakPolarHBondContact CA-O 3.36Å; F28-L573 HydrophobicContact CB-CG 4.15Å; F28-L573 HydrophobicContact CD1-CD1 3.4Å; F28-L573 HydrophobicContact CD1-CD2 4.2Å; F28-L573 HydrophobicContact CD1-CG 3.71Å; F28-L573 HydrophobicContact CE1-CD1 3.78Å; F28-L573 HydrophobicContact CG-CD1 4.24Å; F28-L573 HydrophobicContact CG-CG 4.3Å
29G86.4Confident81Confident2 Ų251.9 Ų51.92%0.02125%0.253CS..SBendtrans65.423.1174.600000113.9A79 H80 G557G29-A79 CarbonylContact O-C 3.49Å; G29-H80 PolarHBondContact O-N 2.81Å; G29-G557 PolarHBondContact N-O 3.48Å
30A91.2Very high83.6Confident3 Ų344.1 Ų44.13%0.02522%0.218CC..  trans-73140.1175.100000110.3R27 F28 I32 V41 F42 S559 F570R27-A30 HydrophobicContact CG-CB 4.39Å; F28-A30 PolarHBondContact O-N 3.28Å; A30-I32 PolarHBondContact O-N 2.98Å; A30-V41 HydrophobicContact CB-CG1 3.93Å; A30-F42 CarbonylContact C-O 3.55Å; A30-F42 WeakPolarHBondContact CA-O 3.49Å; A30-S559 WeakPolarHBondContact O-CB 3.2Å; A30-S559 PolarHBondContact O-OG 2.88Å; A30-F570 HydrophobicContact CB-CD1 3.93Å; A30-F570 HydrophobicContact CB-CE1 3.69Å
31A94Very high86Confident11 Ų1135.1 Ų35.19%0.09118%0.179CC..EExtended strand (participates in β ladder)trans-73124.9170.200000108.7V41 F42 L92A31-V41 CarbonylContact O-C 3.59Å; A31-V41 VanDerWaalsContact O-CA 3.3Å; A31-V41 WeakPolarHBondContact O-CA 3.4Å; A31-F42 HydrophobicContact CB-CB 4.42Å; A31-F42 PolarHBondContact N-O 2.95Å; A31-F42 PolarHBondContact O-N 3.15Å; A31-L92 HydrophobicContact CB-CD2 3.9Å
32I92.5Very high88.1Confident13 Ų1329.1 Ų29.17%0.06715%0.151CC..EExtended strand (participates in β ladder)trans-115.2128.7173.7-172.6172000110.3A30 L39 Y40 V41 C560 A561 F568 F570A30-I32 PolarHBondContact O-N 2.98Å; I32-L39 HydrophobicContact CD1-CD2 4.19Å; I32-L39 HydrophobicContact CG1-CD2 4.22Å; I32-Y40 CarbonylContact C-O 3.55Å; I32-Y40 VanDerWaalsContact CA-O 3.29Å; I32-Y40 WeakPolarHBondContact CA-O 3.28Å; I32-V41 HydrophobicContact CD1-CG2 4.46Å; I32-V41 HydrophobicContact CG1-CG2 4.21Å; I32-C560 WeakPolarHBondContact CG2-O 3.33Å; I32-A561 HydrophobicContact CD1-CB 4.23Å; I32-A561 HydrophobicContact CG1-CB 3.99Å; I32-A561 HydrophobicContact CG2-CB 4.11Å; I32-F568 HydrophobicContact CD1-CB 4.41Å; I32-F570 HydrophobicContact CD1-CB 3.72Å
33L94.6Very high89.2Confident32 Ų3225.1 Ų25.117%0.16813%0.127CC..EExtended strand (participates in β ladder)trans-138.4131.5-177.6-64.5168.6000110Y40 G83 F85 L90L33-Y40 PolarHBondContact N-O 3.34Å; L33-Y40 PolarHBondContact O-N 2.92Å; L33-G83 WeakPolarHBondContact CD2-O 3.04Å; L33-F85 HydrophobicContact CB-CD2 4.28Å; L33-F85 HydrophobicContact CB-CE2 3.94Å; L33-L90 HydrophobicContact CD1-CD1 3.14Å
34L92.1Very high89.7Confident46 Ų4624.8 Ų24.824%0.24113%0.125CC..EExtended strand (participates in β ladder)trans-90.6130.7173.2-177.271.1000109.6L39 L60 G563L34-L39 HydrophobicContact CB-CD2 3.83Å; L34-L39 HydrophobicContact CD1-CD2 3.58Å; L34-L39 HydrophobicContact CD1-CG 3.91Å; L34-L39 HydrophobicContact CG-CD2 4.29Å; L34-L60 HydrophobicContact CD1-CD1 3.78Å; L34-G563 VanDerWaalsContact CD2-CA 3.4Å
35K93.5Very high89.9Confident24 Ų2425 Ų2510%0.10413%0.126CC..EExtended strand (participates in β ladder)trans-134.7119164.3176168.9178.1171.80109.1Q37 L38 Y40 F85 G87 N88 I121K35-Q37 PolarHBondContact O-N 2.75Å; K35-L38 PolarHBondContact N-O 3.06Å; K35-L38 PolarHBondContact O-N 2.97Å; K35-L38 VanDerWaalsContact O-O 3.13Å; K35-Y40 HydrophobicContact CB-CD2 4.3Å; K35-Y40 HydrophobicContact CB-CE2 3.96Å; K35-F85 HydrophobicContact CB-CD2 3.84Å; K35-F85 HydrophobicContact CB-CE1 4.48Å; K35-F85 HydrophobicContact CB-CE2 3.64Å; K35-F85 HydrophobicContact CB-CG 4.35Å; K35-F85 HydrophobicContact CB-CZ 3.98Å; K35-F85 HydrophobicContact CD-CD1 3.61Å; K35-F85 HydrophobicContact CD-CD2 4.24Å; K35-F85 HydrophobicContact CD-CE1 3.65Å; K35-F85 HydrophobicContact CD-CE2 4.28Å; K35-F85 HydrophobicContact CD-CG 3.91Å; K35-F85 HydrophobicContact CD-CZ 4Å; K35-G87 PolarHBondContact NZ-O 2.57Å; K35-N88 PolarHBondContact NZ-OD1 3.49Å; K35-I121 HydrophobicContact CD-CD1 3.99Å; K35-I121 VanDerWaalsContact NZ-CD1 3.25Å
36E91.1Very high90Very high141 Ų14124.3 Ų24.366%0.65912%0.12SC*.THydrogen-bonded Turntrans52.2-119.9-177.3-61.7159.9-150.600110H564E36-H564 PolarHBondContact O-NE2 3.14Å
37Q89.7Confident90Very high86 Ų8626.2 Ų26.240%0.40213%0.129SC..THydrogen-bonded Turntrans-90.2-0.3179.271.8-172.459.200114.7K35 D59 L60K35-Q37 PolarHBondContact O-N 2.75Å; Q37-D59 PolarHBondContact NE2-OD2 3.21Å; Q37-D59 VanDerWaalsContact NE2-OD2 3.08Å; Q37-L60 VanDerWaalsContact O-CB 3.27Å; Q37-L60 WeakPolarHBondContact O-CB 3.24Å; Q37-L60 WeakPolarHBondContact O-CG 3.49Å; Q37-L60 PolarHBondContact O-N 3.12Å
38L92.2Very high89.8Confident41 Ų4131.6 Ų31.622%0.21515%0.154CC..EExtended strand (participates in β ladder)trans-111.4131-172.6-62.8-178.7000111.3K35 Y40 T57 Y58 D59K35-L38 PolarHBondContact N-O 3.06Å; K35-L38 PolarHBondContact O-N 2.97Å; K35-L38 VanDerWaalsContact O-O 3.13Å; L38-Y40 HydrophobicContact CB-CD2 4.21Å; L38-Y40 HydrophobicContact CB-CE2 3.62Å; L38-Y40 HydrophobicContact CD1-CE2 4.29Å; L38-T57 HydrophobicContact CD1-CG2 4.43Å; L38-Y58 WeakPolarHBondContact CA-O 3.42Å; L38-D59 HydrophobicContact CD2-CB 3.7Å
39L92.1Very high89.7Confident0 Ų033.1 Ų33.10%016%0.163CC..EExtended strand (participates in β ladder)trans-92.9120.6164.7-71.4167000109.4I32 L34 T57 Y58 L60 A561 F568 F651I32-L39 HydrophobicContact CD1-CD2 4.19Å; I32-L39 HydrophobicContact CG1-CD2 4.22Å; L34-L39 HydrophobicContact CB-CD2 3.83Å; L34-L39 HydrophobicContact CD1-CD2 3.58Å; L34-L39 HydrophobicContact CD1-CG 3.91Å; L34-L39 HydrophobicContact CG-CD2 4.29Å; L39-T57 CarbonylContact O-C 3.58Å; L39-T57 VanDerWaalsContact O-CA 3.22Å; L39-T57 WeakPolarHBondContact O-CA 3.44Å; L39-Y58 HydrophobicContact CD1-CD1 4.4Å; L39-Y58 PolarHBondContact N-O 3.4Å; L39-Y58 PolarHBondContact O-N 2.81Å; L39-L60 HydrophobicContact CD1-CD2 3.88Å; L39-L60 HydrophobicContact CG-CD2 4.41Å; L39-A561 HydrophobicContact CD2-CB 4.03Å; L39-F568 HydrophobicContact CD1-CB 3.82Å; L39-F568 HydrophobicContact CD1-CD1 3.61Å; L39-F568 HydrophobicContact CD1-CD2 4.08Å; L39-F568 HydrophobicContact CD1-CE1 4.16Å; L39-F568 HydrophobicContact CD1-CG 3.56Å; L39-F568 HydrophobicContact CD2-CB 4.33Å; L39-F568 HydrophobicContact CD2-CD2 4.02Å; L39-F568 HydrophobicContact CD2-CG 4.19Å; L39-F568 HydrophobicContact CG-CG 4.47Å; L39-F651 HydrophobicContact CD1-CE2 3.46Å; L39-F651 VanDerWaalsContact CD1-CE2 3.46Å; L39-F651 HydrophobicContact CD1-CZ 3.44Å; L39-F651 VanDerWaalsContact CD1-CZ 3.44Å
40Y95.2Very high89.7Confident16 Ų1636.4 Ų36.46%0.06318%0.183CC..EExtended strand (participates in β ladder)trans-92.5129.8174.4-70-103000109I32 L33 K35 L38 L55 W56 T57 L68 F85 I121I32-Y40 CarbonylContact C-O 3.55Å; I32-Y40 VanDerWaalsContact CA-O 3.29Å; I32-Y40 WeakPolarHBondContact CA-O 3.28Å; L33-Y40 PolarHBondContact N-O 3.34Å; L33-Y40 PolarHBondContact O-N 2.92Å; K35-Y40 HydrophobicContact CB-CD2 4.3Å; K35-Y40 HydrophobicContact CB-CE2 3.96Å; L38-Y40 HydrophobicContact CB-CD2 4.21Å; L38-Y40 HydrophobicContact CB-CE2 3.62Å; L38-Y40 HydrophobicContact CD1-CE2 4.29Å; Y40-L55 HydrophobicContact CD1-CD1 4.24Å; Y40-L55 HydrophobicContact CD1-CD2 4.4Å; Y40-W56 CarbonylContact C-O 3.58Å; Y40-W56 WeakPolarHBondContact CA-O 3.26Å; Y40-T57 HydrophobicContact CD1-CG2 3.51Å; Y40-T57 HydrophobicContact CD2-CG2 4.32Å; Y40-T57 HydrophobicContact CE1-CG2 3.38Å; Y40-T57 HydrophobicContact CE2-CG2 4.19Å; Y40-T57 HydrophobicContact CG-CG2 4Å; Y40-L68 HydrophobicContact CD1-CD1 4.31Å; Y40-L68 HydrophobicContact CE1-CD1 3.81Å; Y40-F85 HydrophobicContact CD1-CZ 4.1Å; Y40-F85 AromaticContact CD2-CE2 3.87Å; Y40-F85 HydrophobicContact CD2-CE2 3.87Å; Y40-F85 AromaticContact CD2-CZ 3.63Å; Y40-F85 HydrophobicContact CD2-CZ 3.63Å; Y40-F85 HydrophobicContact CE1-CZ 4.23Å; Y40-F85 HydrophobicContact CE2-CE2 4.33Å; Y40-F85 AromaticContact CE2-CZ 3.8Å; Y40-F85 HydrophobicContact CE2-CZ 3.8Å; Y40-F85 HydrophobicContact CG-CE2 4.19Å; Y40-F85 AromaticContact CG-CZ 3.8Å; Y40-F85 HydrophobicContact CG-CZ 3.8Å; Y40-I121 HydrophobicContact CE1-CG2 3.97Å
41V94.5Very high89.7Confident0 Ų037.1 Ų37.10%019%0.189CC..EExtended strand (participates in β ladder)trans-123.9118.1177.8174.10000108.6A30 A31 I32 L55 W56 W65 F570A30-V41 HydrophobicContact CB-CG1 3.93Å; A31-V41 CarbonylContact O-C 3.59Å; A31-V41 VanDerWaalsContact O-CA 3.3Å; A31-V41 WeakPolarHBondContact O-CA 3.4Å; I32-V41 HydrophobicContact CD1-CG2 4.46Å; I32-V41 HydrophobicContact CG1-CG2 4.21Å; V41-L55 WeakPolarHBondContact O-CA 3.5Å; V41-W56 HydrophobicContact CB-CB 4.36Å; V41-W56 PolarHBondContact N-O 3.31Å; V41-W56 PolarHBondContact O-N 3.48Å; V41-W65 HydrophobicContact CB-CZ3 4.25Å; V41-W65 HydrophobicContact CG2-CH2 3.86Å; V41-W65 HydrophobicContact CG2-CZ3 3.87Å; V41-F570 HydrophobicContact CB-CE1 4.48Å; V41-F570 HydrophobicContact CG1-CD1 3.71Å; V41-F570 HydrophobicContact CG1-CE1 3.27Å; V41-F570 HydrophobicContact CG1-CE2 4.13Å; V41-F570 HydrophobicContact CG1-CG 4.33Å; V41-F570 HydrophobicContact CG1-CZ 3.51Å; V41-F570 HydrophobicContact CG2-CD1 4.2Å; V41-F570 HydrophobicContact CG2-CD2 4.1Å; V41-F570 HydrophobicContact CG2-CE1 4.43Å; V41-F570 HydrophobicContact CG2-CE2 4.31Å; V41-F570 HydrophobicContact CG2-CG 4.05Å; V41-F570 HydrophobicContact CG2-CZ 4.49Å
42F96.1Very high89.6Confident4 Ų438.9 Ų38.92%0.01820%0.195CC..EExtended strand (participates in β ladder)trans-118135.4179.1-179.7-90000112.1A30 A31 N53 D54 L55 P75 R78 L92 W126A30-F42 CarbonylContact C-O 3.55Å; A30-F42 WeakPolarHBondContact CA-O 3.49Å; A31-F42 HydrophobicContact CB-CB 4.42Å; A31-F42 PolarHBondContact N-O 2.95Å; A31-F42 PolarHBondContact O-N 3.15Å; F42-N53 WeakPolarHBondContact CE2-O 3.32Å; F42-N53 HydrophobicContact CZ-CB 4.2Å; F42-D54 WeakPolarHBondContact CA-O 3.36Å; F42-L55 HydrophobicContact CB-CD1 3.94Å; F42-L55 HydrophobicContact CD2-CB 4.2Å; F42-L55 HydrophobicContact CD2-CD1 4.23Å; F42-P75 HydrophobicContact CE2-CG 4.04Å; F42-P75 HydrophobicContact CZ-CB 3.8Å; F42-P75 HydrophobicContact CZ-CG 3.7Å; F42-R78 HydrophobicContact CE1-CG 3.69Å; F42-L92 HydrophobicContact CB-CD1 3.9Å; F42-L92 HydrophobicContact CD1-CD1 3.37Å; F42-L92 HydrophobicContact CD1-CD2 4.45Å; F42-L92 HydrophobicContact CD2-CD1 3.69Å; F42-L92 HydrophobicContact CE1-CD1 3.75Å; F42-L92 HydrophobicContact CE2-CD1 4.04Å; F42-L92 HydrophobicContact CG-CD1 3.33Å; F42-L92 HydrophobicContact CZ-CD1 4.08Å; F42-W126 AromaticContact CD2-CH2 3.76Å; F42-W126 HydrophobicContact CD2-CH2 3.76Å; F42-W126 AromaticContact CD2-CZ2 3.94Å; F42-W126 HydrophobicContact CD2-CZ2 3.94Å; F42-W126 AromaticContact CE2-CH2 3.71Å; F42-W126 HydrophobicContact CE2-CH2 3.71Å; F42-W126 AromaticContact CE2-CZ2 3.82Å; F42-W126 HydrophobicContact CE2-CZ2 3.82Å
43G94.4Very high89.7Confident0 Ų040.9 Ų40.90%021%0.205CC..  trans61.1-136.3168.100000113.2R27 F52 D54R27-G43 WeakPolarHBondContact CD-O 3.28Å; R27-G43 PolarHBondContact NH1-O 3.48Å; G43-F52 WeakPolarHBondContact CA-O 3.21Å; G43-D54 PolarHBondContact N-O 2.69Å
44G90.5Very high89.7Confident0 Ų040.1 Ų40.10%020%0.201CC..  trans93.8-178.6-168.600000111.9F28 A51 F52 R78F28-G44 CarbonylContact O-C 3.48Å; F28-G44 WeakPolarHBondContact O-CA 3.18Å; G44-A51 CarbonylContact O-C 3.59Å; G44-A51 VanDerWaalsContact O-CA 3.32Å; G44-A51 WeakPolarHBondContact O-CA 3.48Å; G44-F52 WeakPolarHBondContact O-CD2 3.42Å; G44-F52 PolarHBondContact O-N 3.27Å; G44-R78 PolarHBondContact N-O 2.77Å
45A85.6Confident89.9Confident4 Ų438 Ų383%0.03319%0.191CC..BIsolated β-bridgetrans-140.3156.1-179.800000113.4R27 F28 T50 A51 A79R27-A45 CarbonylContact C-O 3.59Å; R27-A45 WeakPolarHBondContact CA-O 3.49Å; R27-A45 WeakPolarHBondContact CB-O 3.49Å; F28-A45 HydrophobicContact CD1-CB 4.38Å; F28-A45 WeakPolarHBondContact CD1-O 3.4Å; F28-A45 HydrophobicContact CE1-CB 3.86Å; F28-A45 HydrophobicContact CZ-CB 3.97Å; F28-A45 PolarHBondContact N-O 2.62Å; F28-A45 PolarHBondContact O-N 2.97Å; A45-T50 CarbonylContact C-O 3.59Å; A45-T50 WeakPolarHBondContact CA-O 3.2Å; A45-A51 HydrophobicContact CB-CB 4.39Å; A45-A79 HydrophobicContact CB-CB 3.99Å
46T82.7Confident89.9Confident25 Ų2537.2 Ų37.215%0.15319%0.187CC..  trans-76.6170.7168.674.30000111.4F28 E48 L49 T50 F52F28-T46 WeakPolarHBondContact CE1-O 3.37Å; T46-E48 VanDerWaalsContact CB-OE2 3.24Å; T46-E48 WeakPolarHBondContact CB-OE2 3.39Å; T46-E48 PolarHBondContact O-N 2.77Å; T46-E48 PolarHBondContact OG1-N 2.92Å; T46-E48 PolarHBondContact OG1-OE2 2.97Å; T46-L49 WeakPolarHBondContact O-CA 3.48Å; T46-L49 PolarHBondContact O-N 3.07Å; T46-T50 PolarHBondContact N-O 3.06Å; T46-T50 WeakPolarHBondContact OG1-CB 3.4Å; T46-T50 PolarHBondContact OG1-N 3.25Å; T46-F52 HydrophobicContact CG2-CE1 4.5Å; T46-F52 HydrophobicContact CG2-CE2 3.55Å; T46-F52 HydrophobicContact CG2-CZ 3.33Å
47K73.8Confident89.9Confident71 Ų7130.7 Ų30.731%0.30916%0.157SC..THydrogen-bonded Turntrans-55.1-34.1174.3-172.7173.4-177.6176.20113.3L49 L573 D578K47-L49 PolarHBondContact O-N 3.23Å; K47-L49 VanDerWaalsContact O-N 3.13Å; K47-L573 VanDerWaalsContact CA-CD1 3.49Å; K47-L573 HydrophobicContact CB-CD1 3.75Å; K47-L573 HydrophobicContact CB-CD2 4.07Å; K47-L573 HydrophobicContact CG-CD1 4.03Å; K47-D578 IonicContact NZ-OD1 2.74Å; K47-D578 PolarHBondContact NZ-OD1 3.02Å; K47-D578 IonicContact NZ-OD2 3.59Å; K47-D578 PolarHBondContact NZ-OD2 2.78Å
48E78.9Confident89.8Confident116 Ų11626.8 Ų26.854%0.54214%0.138SC..THydrogen-bonded Turntrans-76.89.7175.6-5369.3-145.200112.7T46 T50 H100T46-E48 VanDerWaalsContact CB-OE2 3.24Å; T46-E48 WeakPolarHBondContact CB-OE2 3.39Å; T46-E48 PolarHBondContact O-N 2.77Å; T46-E48 PolarHBondContact OG1-N 2.92Å; T46-E48 PolarHBondContact OG1-OE2 2.97Å; E48-T50 PolarHBondContact O-N 3.09Å; E48-H100 PolarHBondContact O-NE2 3.3Å
49L81.9Confident89.5Confident61 Ų6126.2 Ų26.232%0.31914%0.135SC..  trans6520.3179.1-49.6169.7000113.2F28 T46 K47 A51 S98 M110F28-L49 HydrophobicContact CE1-CD2 4.16Å; F28-L49 HydrophobicContact CZ-CD2 3.73Å; T46-L49 WeakPolarHBondContact O-CA 3.48Å; T46-L49 PolarHBondContact O-N 3.07Å; K47-L49 PolarHBondContact O-N 3.23Å; K47-L49 VanDerWaalsContact O-N 3.13Å; L49-A51 PolarHBondContact O-N 2.9Å; L49-S98 WeakPolarHBondContact O-CB 3.33Å; L49-M110 HydrophobicContact CB-CE 3.87Å; L49-M110 HydrophobicContact CD1-CE 3.2Å; L49-M110 HydrophobicContact CD2-CE 3.96Å; L49-M110 HydrophobicContact CG-CE 3.83Å
50T86.6Confident89Confident71 Ų7127.7 Ų27.744%0.43614%0.143SC..  trans-74.3108.2173.1-60.10000108.6A45 T46 E48A45-T50 CarbonylContact C-O 3.59Å; A45-T50 WeakPolarHBondContact CA-O 3.2Å; T46-T50 PolarHBondContact N-O 3.06Å; T46-T50 WeakPolarHBondContact OG1-CB 3.4Å; T46-T50 PolarHBondContact OG1-N 3.25Å; E48-T50 PolarHBondContact O-N 3.09Å
51A91.3Very high88.3Confident18 Ų1830.8 Ų30.815%0.14917%0.166CC..BIsolated β-bridgetrans-79.7157.6-179.300000112.4G44 A45 L49 P77 Q97G44-A51 CarbonylContact O-C 3.59Å; G44-A51 VanDerWaalsContact O-CA 3.32Å; G44-A51 WeakPolarHBondContact O-CA 3.48Å; A45-A51 HydrophobicContact CB-CB 4.39Å; L49-A51 PolarHBondContact O-N 2.9Å; A51-P77 HydrophobicContact CB-CB 3.87Å; A51-P77 WeakPolarHBondContact O-CB 2.98Å; A51-Q97 HydrophobicContact CB-CB 4.26Å
52F92.6Very high87.6Confident48 Ų4834.6 Ų34.621%0.21119%0.19CC..  trans-120.2156.3177.8-56.3-76.9000111.6R27 G43 G44 T46 D54 P77 R78R27-F52 HydrophobicContact CB-CD2 4.36Å; R27-F52 HydrophobicContact CB-CE2 4.17Å; G43-F52 WeakPolarHBondContact CA-O 3.21Å; G44-F52 WeakPolarHBondContact O-CD2 3.42Å; G44-F52 PolarHBondContact O-N 3.27Å; T46-F52 HydrophobicContact CG2-CE1 4.5Å; T46-F52 HydrophobicContact CG2-CE2 3.55Å; T46-F52 HydrophobicContact CG2-CZ 3.33Å; F52-D54 VanDerWaalsContact CB-OD1 3.28Å; F52-D54 WeakPolarHBondContact CB-OD1 3.19Å; F52-P77 CarbonylContact O-C 3.52Å; F52-P77 WeakPolarHBondContact O-CA 3.05Å; F52-R78 PolarHBondContact O-N 2.91Å
53N95.1Very high86.8Confident55 Ų5539.6 Ų39.629%0.29421%0.211SC..  trans-126.519.6172.162-11.6000112.7F42 P75 P77F42-N53 WeakPolarHBondContact CE2-O 3.32Å; F42-N53 HydrophobicContact CZ-CB 4.2Å; N53-P75 VanDerWaalsContact CB-O 3.24Å; N53-P75 WeakPolarHBondContact CB-O 3.13Å; N53-P75 PolarHBondContact ND2-O 2.85Å; N53-P75 VanDerWaalsContact ND2-O 3.16Å; N53-P77 HydrophobicContact CB-CB 4.47Å; N53-P77 HydrophobicContact CB-CG 4.28Å
54D93.9Very high86.1Confident15 Ų1541.7 Ų41.78%0.0823%0.226CC..  trans-78.9147.7175.955.5-8.5000111.2R27 F42 G43 F52 W56R27-D54 IonicContact CZ-OD1 3.66Å; R27-D54 IonicContact CZ-OD2 2.84Å; R27-D54 IonicContact NH1-OD1 3.37Å; R27-D54 PolarHBondContact NH1-OD1 3.02Å; R27-D54 IonicContact NH1-OD2 2.68Å; R27-D54 PolarHBondContact NH1-OD2 3.32Å; R27-D54 IonicContact NH2-OD1 3.03Å; R27-D54 IonicContact NH2-OD2 2.77Å; R27-D54 PolarHBondContact NH2-OD2 3.46Å; F42-D54 WeakPolarHBondContact CA-O 3.36Å; G43-D54 PolarHBondContact N-O 2.69Å; F52-D54 VanDerWaalsContact CB-OD1 3.28Å; F52-D54 WeakPolarHBondContact CB-OD1 3.19Å; D54-W56 VanDerWaalsContact CG-NE1 3.29Å; D54-W56 PolarHBondContact OD2-NE1 3.08Å
55L95.4Very high85.9Confident3 Ų343.4 Ų43.42%0.01623%0.233CC..EExtended strand (participates in β ladder)trans-112.7130.4172.5-177.364000109Y40 V41 F42 L68 L90 F119 W126Y40-L55 HydrophobicContact CD1-CD1 4.24Å; Y40-L55 HydrophobicContact CD1-CD2 4.4Å; V41-L55 WeakPolarHBondContact O-CA 3.5Å; F42-L55 HydrophobicContact CB-CD1 3.94Å; F42-L55 HydrophobicContact CD2-CB 4.2Å; F42-L55 HydrophobicContact CD2-CD1 4.23Å; L55-L68 HydrophobicContact CB-CB 4.29Å; L55-L68 HydrophobicContact CD2-CB 4.11Å; L55-L68 HydrophobicContact CD2-CD1 3.91Å; L55-L68 HydrophobicContact CG-CB 4.15Å; L55-L68 HydrophobicContact CG-CD1 4.26Å; L55-L68 PolarHBondContact O-N 3.02Å; L55-L90 HydrophobicContact CD1-CD2 4.03Å; L55-L90 HydrophobicContact CD2-CD2 4.32Å; L55-F119 HydrophobicContact CD2-CD1 3.49Å; L55-F119 VanDerWaalsContact CD2-CD1 3.49Å; L55-F119 HydrophobicContact CD2-CE1 3.44Å; L55-F119 VanDerWaalsContact CD2-CE1 3.44Å; L55-F119 HydrophobicContact CD2-CG 4.1Å; L55-F119 HydrophobicContact CD2-CZ 4.01Å; L55-W126 HydrophobicContact CB-CZ2 4.16Å; L55-W126 HydrophobicContact CD2-CZ2 3.89Å
56W93.5Very high86Confident7 Ų749 Ų493%0.02726%0.258CS..EExtended strand (participates in β ladder)trans-124.2148.8177.4-66.984.2000110.3H21 S23 P24 Y40 V41 D54 W65 Q66 R67H21-W56 HydrophobicContact CB-CH2 4.03Å; H21-W56 WeakPolarHBondContact O-CH2 3.46Å; S23-W56 WeakPolarHBondContact O-CH2 3.38Å; P24-W56 HydrophobicContact CB-CD2 4.26Å; P24-W56 HydrophobicContact CB-CG 4.27Å; P24-W56 HydrophobicContact CG-CB 3.94Å; P24-W56 HydrophobicContact CG-CD2 3.66Å; P24-W56 HydrophobicContact CG-CE3 4.07Å; P24-W56 HydrophobicContact CG-CG 3.6Å; Y40-W56 CarbonylContact C-O 3.58Å; Y40-W56 WeakPolarHBondContact CA-O 3.26Å; V41-W56 HydrophobicContact CB-CB 4.36Å; V41-W56 PolarHBondContact N-O 3.31Å; V41-W56 PolarHBondContact O-N 3.48Å; D54-W56 VanDerWaalsContact CG-NE1 3.29Å; D54-W56 PolarHBondContact OD2-NE1 3.08Å; W56-W65 HydrophobicContact CB-CE3 3.97Å; W56-W65 HydrophobicContact CB-CZ3 4.05Å; W56-W65 HydrophobicContact CE3-CB 4.28Å; W56-W65 HydrophobicContact CZ3-CB 4.47Å; W56-Q66 CarbonylContact C-O 3.52Å; W56-Q66 WeakPolarHBondContact CA-O 3.44Å; W56-R67 HydrophobicContact CD2-CB 3.97Å; W56-R67 HydrophobicContact CD2-CG 4.09Å; W56-R67 HydrophobicContact CE3-CB 3.77Å; W56-R67 HydrophobicContact CE3-CG 4.4Å; W56-R67 HydrophobicContact CH2-CB 3.86Å; W56-R67 HydrophobicContact CH2-CG 4.32Å; W56-R67 HydrophobicContact CZ2-CB 4.05Å; W56-R67 HydrophobicContact CZ2-CG 4Å; W56-R67 HydrophobicContact CZ3-CB 3.72Å
57T92.5Very high86.4Confident4 Ų454 Ų543%0.02527%0.274CS..EExtended strand (participates in β ladder)trans-116.5141.716746.50000110L38 L39 Y40 W65 Q66 L68L38-T57 HydrophobicContact CD1-CG2 4.43Å; L39-T57 CarbonylContact O-C 3.58Å; L39-T57 VanDerWaalsContact O-CA 3.22Å; L39-T57 WeakPolarHBondContact O-CA 3.44Å; Y40-T57 HydrophobicContact CD1-CG2 3.51Å; Y40-T57 HydrophobicContact CD2-CG2 4.32Å; Y40-T57 HydrophobicContact CE1-CG2 3.38Å; Y40-T57 HydrophobicContact CE2-CG2 4.19Å; Y40-T57 HydrophobicContact CG-CG2 4Å; T57-W65 CarbonylContact O-C 3.59Å; T57-W65 VanDerWaalsContact O-CA 3.31Å; T57-W65 WeakPolarHBondContact O-CA 3.16Å; T57-Q66 PolarHBondContact N-O 3.29Å; T57-Q66 PolarHBondContact O-N 3.31Å; T57-Q66 PolarHBondContact OG1-O 3.03Å; T57-L68 HydrophobicContact CG2-CD1 3.55Å; T57-L68 HydrophobicContact CG2-CD2 4.42Å; T57-L68 HydrophobicContact CG2-CG 3.94Å
58Y87.4Confident87.3Confident4 Ų451.6 Ų51.62%0.01627%0.265CS..EExtended strand (participates in β ladder)trans-116.2119.3168.2-175.3-101.9000109.2P10 L38 L39 L60 F63 W65 F651P10-Y58 WeakPolarHBondContact CB-OH 3.46Å; P10-Y58 HydrophobicContact CG-CE1 4.25Å; P10-Y58 WeakPolarHBondContact CG-OH 3.47Å; L38-Y58 WeakPolarHBondContact CA-O 3.42Å; L39-Y58 HydrophobicContact CD1-CD1 4.4Å; L39-Y58 PolarHBondContact N-O 3.4Å; L39-Y58 PolarHBondContact O-N 2.81Å; Y58-L60 HydrophobicContact CD1-CD2 3.96Å; Y58-L60 HydrophobicContact CE1-CD2 4.03Å; Y58-F63 WeakPolarHBondContact OH-CA 3.35Å; Y58-F63 VanDerWaalsContact OH-CB 3.26Å; Y58-F63 WeakPolarHBondContact OH-CB 3.38Å; Y58-F63 WeakPolarHBondContact OH-CD1 3.35Å; Y58-W65 AromaticContact CD2-CD1 3.64Å; Y58-W65 AromaticContact CD2-CD2 3.54Å; Y58-W65 HydrophobicContact CD2-CD2 3.54Å; Y58-W65 AromaticContact CD2-CE2 3.34Å; Y58-W65 HydrophobicContact CD2-CE3 4.19Å; Y58-W65 AromaticContact CD2-CG 3.73Å; Y58-W65 HydrophobicContact CD2-CG 3.73Å; Y58-W65 HydrophobicContact CD2-CH2 4.45Å; Y58-W65 AromaticContact CD2-CZ2 3.84Å; Y58-W65 HydrophobicContact CD2-CZ2 3.84Å; Y58-W65 AromaticContact CD2-NE1 3.4Å; Y58-W65 AromaticContact CE2-CD1 3.92Å; Y58-W65 HydrophobicContact CE2-CG 4.41Å; Y58-W65 AromaticContact CE2-NE1 3.7Å; Y58-W65 HydrophobicContact CG-CD2 4.19Å; Y58-W65 AromaticContact CG-CE2 3.97Å; Y58-W65 HydrophobicContact CG-CE3 4.43Å; Y58-W65 HydrophobicContact CG-CH2 4.28Å; Y58-W65 HydrophobicContact CG-CZ2 4.03Å; Y58-W65 HydrophobicContact CG-CZ3 4.49Å; Y58-F651 AromaticContact CD1-CE1 3.91Å; Y58-F651 HydrophobicContact CD1-CE1 3.91Å; Y58-F651 HydrophobicContact CD1-CE2 4.27Å; Y58-F651 AromaticContact CD1-CZ 3.67Å; Y58-F651 HydrophobicContact CD1-CZ 3.67Å; Y58-F651 HydrophobicContact CE1-CD1 4.32Å; Y58-F651 AromaticContact CE1-CE1 3.57Å; Y58-F651 HydrophobicContact CE1-CE1 3.57Å; Y58-F651 AromaticContact CE1-CZ 3.81Å; Y58-F651 HydrophobicContact CE1-CZ 3.81Å; Y58-F651 HydrophobicContact CG-CZ 4.47Å
59D84.5Confident87.9Confident29 Ų2952.5 Ų52.516%0.15527%0.272CS..EExtended strand (participates in β ladder)trans-85.3120.1180-172.8-49.6000110.4Q37 L38 C61 T62 F63 S64Q37-D59 PolarHBondContact NE2-OD2 3.21Å; Q37-D59 VanDerWaalsContact NE2-OD2 3.08Å; L38-D59 HydrophobicContact CD2-CB 3.7Å; D59-C61 VanDerWaalsContact C-N 3.26Å; D59-C61 PolarHBondContact O-N 3.25Å; D59-C61 VanDerWaalsContact OD1-CA 3.31Å; D59-C61 WeakPolarHBondContact OD1-CA 3.41Å; D59-C61 VanDerWaalsContact OD1-CB 3.25Å; D59-C61 WeakPolarHBondContact OD1-CB 3.45Å; D59-C61 PolarHBondContact OD1-N 3.24Å; D59-T62 VanDerWaalsContact CB-OG1 3.28Å; D59-T62 WeakPolarHBondContact CB-OG1 3.39Å; D59-T62 PolarHBondContact OD1-N 3.43Å; D59-F63 WeakPolarHBondContact O-CA 3.44Å; D59-F63 PolarHBondContact O-N 3.18Å; D59-S64 PolarHBondContact N-O 3.4Å
60L82.6Confident88.4Confident30 Ų3050 Ų5016%0.15726%0.261CS..THydrogen-bonded Turntrans-75.2-12.4-177.5-64.1176.1000113.8L34 Q37 L39 Y58 F63 F568L34-L60 HydrophobicContact CD1-CD1 3.78Å; Q37-L60 VanDerWaalsContact O-CB 3.27Å; Q37-L60 WeakPolarHBondContact O-CB 3.24Å; Q37-L60 WeakPolarHBondContact O-CG 3.49Å; Q37-L60 PolarHBondContact O-N 3.12Å; L39-L60 HydrophobicContact CD1-CD2 3.88Å; L39-L60 HydrophobicContact CG-CD2 4.41Å; Y58-L60 HydrophobicContact CD1-CD2 3.96Å; Y58-L60 HydrophobicContact CE1-CD2 4.03Å; L60-F63 WeakPolarHBondContact O-CE1 3.41Å; L60-F568 HydrophobicContact CD1-CE1 4.31Å; L60-F568 HydrophobicContact CD1-CE2 4.3Å; L60-F568 HydrophobicContact CD1-CZ 3.74Å; L60-F568 HydrophobicContact CD2-CD1 4.25Å; L60-F568 HydrophobicContact CD2-CE1 3.5Å; L60-F568 HydrophobicContact CD2-CZ 3.83Å; L60-F568 HydrophobicContact CG-CZ 4.47Å
61C81.2Confident88.7Confident82 Ų8254.6 Ų54.655%0.55428%0.275SS*.THydrogen-bonded Turntrans-94-45.7176.5-640000111.7D59D59-C61 VanDerWaalsContact C-N 3.26Å; D59-C61 PolarHBondContact O-N 3.25Å; D59-C61 VanDerWaalsContact OD1-CA 3.31Å; D59-C61 WeakPolarHBondContact OD1-CA 3.41Å; D59-C61 VanDerWaalsContact OD1-CB 3.25Å; D59-C61 WeakPolarHBondContact OD1-CB 3.45Å; D59-C61 PolarHBondContact OD1-N 3.24Å
62T79.5Confident88.9Confident80 Ų8055.7 Ų55.749%0.49129%0.288SS..THydrogen-bonded Turntrans-92.8-10-178.564.20000113.5D59 S64D59-T62 VanDerWaalsContact CB-OG1 3.28Å; D59-T62 WeakPolarHBondContact CB-OG1 3.39Å; D59-T62 PolarHBondContact OD1-N 3.43Å; T62-S64 VanDerWaalsContact C-N 3.25Å; T62-S64 PolarHBondContact O-N 3.24Å; T62-S64 PolarHBondContact OG1-OG 3.18Å
63F78.9Confident89.1Confident108 Ų10858.7 Ų58.747%0.47430%0.303SS..THydrogen-bonded Turntrans56.337.2-177.6-54.7-74.3000113.5P10 Y58 D59 L60P10-F63 HydrophobicContact CB-CB 4.38Å; P10-F63 HydrophobicContact CB-CD1 4.22Å; Y58-F63 WeakPolarHBondContact OH-CA 3.35Å; Y58-F63 VanDerWaalsContact OH-CB 3.26Å; Y58-F63 WeakPolarHBondContact OH-CB 3.38Å; Y58-F63 WeakPolarHBondContact OH-CD1 3.35Å; D59-F63 WeakPolarHBondContact O-CA 3.44Å; D59-F63 PolarHBondContact O-N 3.18Å; L60-F63 WeakPolarHBondContact O-CE1 3.41Å
64S79.3Confident89Confident44 Ų4460.3 Ų60.331%0.30831%0.311SS..EExtended strand (participates in β ladder)trans-122.6142.6-176.660.30000112.1D59 T62D59-S64 PolarHBondContact N-O 3.4Å; T62-S64 VanDerWaalsContact C-N 3.25Å; T62-S64 PolarHBondContact O-N 3.24Å; T62-S64 PolarHBondContact OG1-OG 3.18Å
65W85.8Confident89.1Confident36 Ų3659.7 Ų59.714%0.13631%0.308CS..EExtended strand (participates in β ladder)trans-85145.2169.1-7196.3000111T22 P24 V41 W56 T57 Y58 F570 F651T22-W65 WeakPolarHBondContact O-CB 3.34Å; P24-W65 VanDerWaalsContact CD-CD2 3.43Å; P24-W65 HydrophobicContact CG-CD2 4.05Å; P24-W65 HydrophobicContact CG-CE3 3.68Å; P24-W65 HydrophobicContact CG-CH2 4.15Å; P24-W65 HydrophobicContact CG-CZ2 4.48Å; P24-W65 HydrophobicContact CG-CZ3 3.72Å; V41-W65 HydrophobicContact CB-CZ3 4.25Å; V41-W65 HydrophobicContact CG2-CH2 3.86Å; V41-W65 HydrophobicContact CG2-CZ3 3.87Å; W56-W65 HydrophobicContact CB-CE3 3.97Å; W56-W65 HydrophobicContact CB-CZ3 4.05Å; W56-W65 HydrophobicContact CE3-CB 4.28Å; W56-W65 HydrophobicContact CZ3-CB 4.47Å; T57-W65 CarbonylContact O-C 3.59Å; T57-W65 VanDerWaalsContact O-CA 3.31Å; T57-W65 WeakPolarHBondContact O-CA 3.16Å; Y58-W65 AromaticContact CD2-CD1 3.64Å; Y58-W65 AromaticContact CD2-CD2 3.54Å; Y58-W65 HydrophobicContact CD2-CD2 3.54Å; Y58-W65 AromaticContact CD2-CE2 3.34Å; Y58-W65 HydrophobicContact CD2-CE3 4.19Å; Y58-W65 AromaticContact CD2-CG 3.73Å; Y58-W65 HydrophobicContact CD2-CG 3.73Å; Y58-W65 HydrophobicContact CD2-CH2 4.45Å; Y58-W65 AromaticContact CD2-CZ2 3.84Å; Y58-W65 HydrophobicContact CD2-CZ2 3.84Å; Y58-W65 AromaticContact CD2-NE1 3.4Å; Y58-W65 AromaticContact CE2-CD1 3.92Å; Y58-W65 HydrophobicContact CE2-CG 4.41Å; Y58-W65 AromaticContact CE2-NE1 3.7Å; Y58-W65 HydrophobicContact CG-CD2 4.19Å; Y58-W65 AromaticContact CG-CE2 3.97Å; Y58-W65 HydrophobicContact CG-CE3 4.43Å; Y58-W65 HydrophobicContact CG-CH2 4.28Å; Y58-W65 HydrophobicContact CG-CZ2 4.03Å; Y58-W65 HydrophobicContact CG-CZ3 4.49Å; W65-F570 AromaticContact CH2-CD2 3.7Å; W65-F570 HydrophobicContact CH2-CD2 3.7Å; W65-F570 AromaticContact CH2-CE2 3.61Å; W65-F570 HydrophobicContact CH2-CE2 3.61Å; W65-F570 HydrophobicContact CZ2-CD2 4.05Å; W65-F570 AromaticContact CZ2-CE2 3.95Å; W65-F570 HydrophobicContact CZ2-CE2 3.95Å; W65-F570 HydrophobicContact CZ3-CE2 4.42Å; W65-F651 HydrophobicContact CH2-CD2 4.3Å; W65-F651 HydrophobicContact CZ2-CB 4.16Å; W65-F651 AromaticContact CZ2-CD2 3.96Å; W65-F651 HydrophobicContact CZ2-CD2 3.96Å; W65-F651 HydrophobicContact CZ2-CG 4.13Å
66Q88.2Confident89.1Confident123 Ų12361.9 Ų61.958%0.57532%0.321SS*.EExtended strand (participates in β ladder)trans-135.7132.5169.8-178.5-179.410.500108.8W56 T57 L68W56-Q66 CarbonylContact C-O 3.52Å; W56-Q66 WeakPolarHBondContact CA-O 3.44Å; T57-Q66 PolarHBondContact N-O 3.29Å; T57-Q66 PolarHBondContact O-N 3.31Å; T57-Q66 PolarHBondContact OG1-O 3.03Å; Q66-L68 HydrophobicContact CG-CD2 4.3Å
67R92Very high89.1Confident128 Ų12863.8 Ų63.848%0.48334%0.335SS..EExtended strand (participates in β ladder)trans-83.1125.8170.7-168176.9178.6-179.40109.4W56W56-R67 HydrophobicContact CD2-CB 3.97Å; W56-R67 HydrophobicContact CD2-CG 4.09Å; W56-R67 HydrophobicContact CE3-CB 3.77Å; W56-R67 HydrophobicContact CE3-CG 4.4Å; W56-R67 HydrophobicContact CH2-CB 3.86Å; W56-R67 HydrophobicContact CH2-CG 4.32Å; W56-R67 HydrophobicContact CZ2-CB 4.05Å; W56-R67 HydrophobicContact CZ2-CG 4Å; W56-R67 HydrophobicContact CZ3-CB 3.72Å
68L93.2Very high89.3Confident21 Ų2163.6 Ų63.611%0.1133%0.334CS..EExtended strand (participates in β ladder)trans-90.3119.4174.9-63.5-166.2000109.7Y40 L55 T57 Q66 F119 M124Y40-L68 HydrophobicContact CD1-CD1 4.31Å; Y40-L68 HydrophobicContact CE1-CD1 3.81Å; L55-L68 HydrophobicContact CB-CB 4.29Å; L55-L68 HydrophobicContact CD2-CB 4.11Å; L55-L68 HydrophobicContact CD2-CD1 3.91Å; L55-L68 HydrophobicContact CG-CB 4.15Å; L55-L68 HydrophobicContact CG-CD1 4.26Å; L55-L68 PolarHBondContact O-N 3.02Å; T57-L68 HydrophobicContact CG2-CD1 3.55Å; T57-L68 HydrophobicContact CG2-CD2 4.42Å; T57-L68 HydrophobicContact CG2-CG 3.94Å; Q66-L68 HydrophobicContact CG-CD2 4.3Å; L68-F119 HydrophobicContact CD1-CE1 4.13Å; L68-M124 HydrophobicContact CB-CE 3.86Å; L68-M124 HydrophobicContact CD1-CE 4.43Å; L68-M124 HydrophobicContact CD2-CE 4.02Å; L68-M124 HydrophobicContact CG-CE 4.31Å
69I91.5Very high89.5Confident136 Ų13663.6 Ų63.670%0.69733%0.334SS*.  trans-101.3100.4176.3-56.5176.4000107.9
70G90.9Very high89.8Confident9 Ų966.2 Ų66.29%0.09335%0.345CS..  trans-85.7153.8174.400000112.5M124G70-M124 VanDerWaalsContact CA-O 3.3Å; G70-M124 WeakPolarHBondContact CA-O 3.44Å
71K94.2Very high90.4Very high166 Ų16665.2 Ų65.272%0.72234%0.341SS*.EExtended strand (participates in β ladder)trans-101173.6167.8-60.5179.8-176.2177.20109.9M124 W126K71-M124 PolarHBondContact N-O 3.03Å; K71-W126 PolarHBondContact O-N 3.27Å
72G95.8Very high91Very high42 Ų4264.2 Ų64.243%0.43333%0.328SS..EExtended strand (participates in β ladder)trans98.3-146.5174.700000113.3L74 W126G72-L74 WeakPolarHBondContact O-CD1 3.16Å; G72-L74 PolarHBondContact O-N 2.93Å; G72-W126 CarbonylContact C-O 3.49Å; G72-W126 WeakPolarHBondContact CA-O 3.11Å
73E96.1Very high91.7Very high110 Ų11061.3 Ų61.351%0.51431%0.313SS..SBendtrans-89.183.5-177.5-66.3-178.4104.100110.9W126 R128E73-W126 PolarHBondContact N-O 2.9Å; E73-W126 WeakPolarHBondContact O-CB 3.3Å; E73-R128 HydrophobicContact CB-CB 4.41Å; E73-R128 WeakPolarHBondContact OE2-CB 3.4Å; E73-R128 PolarHBondContact OE2-N 3.3Å
74L93.6Very high92.5Very high89 Ų8956.3 Ų56.347%0.46629%0.293SS..PPolyproline II helixtrans-61.5140-179.9-74.184.2000111G72 W126G72-L74 WeakPolarHBondContact O-CD1 3.16Å; G72-L74 PolarHBondContact O-N 2.93Å; L74-W126 HydrophobicContact CG-CG 4.5Å
75P95.5Very high93.3Very high2 Ų256 Ų561%0.01329%0.286CS..PPolyproline II helixtrans-61.1148.2170.3-1223.6000110.4F42 N53 N117 W126F42-P75 HydrophobicContact CE2-CG 4.04Å; F42-P75 HydrophobicContact CZ-CB 3.8Å; F42-P75 HydrophobicContact CZ-CG 3.7Å; N53-P75 VanDerWaalsContact CB-O 3.24Å; N53-P75 WeakPolarHBondContact CB-O 3.13Å; N53-P75 PolarHBondContact ND2-O 2.85Å; N53-P75 VanDerWaalsContact ND2-O 3.16Å; P75-N117 HydrophobicContact CB-CB 4.3Å; P75-N117 HydrophobicContact CG-CB 3.75Å; P75-W126 HydrophobicContact CG-CD2 4.2Å; P75-W126 HydrophobicContact CG-CE3 3.6Å; P75-W126 HydrophobicContact CG-CH2 4.09Å; P75-W126 HydrophobicContact CG-CZ3 3.53Å
76T94.3Very high93.8Very high49 Ų4955.4 Ų55.430%0.30129%0.285SS..PPolyproline II helixtrans-60.7152.6167.362.30000110.6R78T76-R78 PolarHBondContact O-N 2.8Å; T76-R78 PolarHBondContact O-NE 3.04Å; T76-R78 PolarHBondContact OG1-NH2 2.88Å
77P95Very high94.1Very high47 Ų4752.3 Ų52.331%0.30529%0.286SS..SBendtrans-50.8131.6172.7-25.835000111.7A51 F52 N53 Q97A51-P77 HydrophobicContact CB-CB 3.87Å; A51-P77 WeakPolarHBondContact O-CB 2.98Å; F52-P77 CarbonylContact O-C 3.52Å; F52-P77 WeakPolarHBondContact O-CA 3.05Å; N53-P77 HydrophobicContact CB-CB 4.47Å; N53-P77 HydrophobicContact CB-CG 4.28Å; P77-Q97 VanDerWaalsContact O-CB 3.3Å; P77-Q97 WeakPolarHBondContact O-CB 3.43Å; P77-Q97 PolarHBondContact O-OE1 2.83Å
78R95.1Very high94.3Very high1 Ų149.8 Ų49.80%0.00428%0.282CS..  trans-157.6148.6-174.960.8-170.767.4-171.10.7113.7F42 G44 F52 T76 A81 G94 C96 L113 E115 N117F42-R78 HydrophobicContact CE1-CG 3.69Å; G44-R78 PolarHBondContact N-O 2.77Å; F52-R78 PolarHBondContact O-N 2.91Å; T76-R78 PolarHBondContact O-N 2.8Å; T76-R78 PolarHBondContact O-NE 3.04Å; T76-R78 PolarHBondContact OG1-NH2 2.88Å; R78-A81 HydrophobicContact CG-CB 4.35Å; R78-G94 WeakPolarHBondContact CD-O 3.41Å; R78-G94 PolarHBondContact NH1-O 2.83Å; R78-C96 CarbonylContact C-O 3.57Å; R78-C96 VanDerWaalsContact CA-O 3.31Å; R78-C96 WeakPolarHBondContact CA-O 3.42Å; R78-L113 HydrophobicContact CB-CD1 3.54Å; R78-L113 HydrophobicContact CG-CD1 4.43Å; R78-E115 IonicContact NH2-OE2 3.75Å; R78-E115 PolarHBondContact NH2-OE2 3.34Å; R78-E115 VanDerWaalsContact NH2-OE2 3.15Å; R78-N117 PolarHBondContact NH1-OD1 3.39Å
79A91.9Very high94.6Very high3 Ų351.1 Ų51.13%0.02529%0.289CS..BIsolated β-bridgetrans-112.5161.4166.800000110.6G29 A45 A81 G95 C96G29-A79 CarbonylContact O-C 3.49Å; A45-A79 HydrophobicContact CB-CB 3.99Å; A79-A81 PolarHBondContact O-N 2.95Å; A79-G95 CarbonylContact O-C 3.58Å; A79-G95 WeakPolarHBondContact O-CA 3.25Å; A79-C96 PolarHBondContact N-O 2.85Å; A79-C96 PolarHBondContact O-N 2.88Å
80H91.3Very high94.9Very high84 Ų8444.7 Ų44.739%0.38926%0.256SS..SBendtrans59.324.9177.2-53.7-71.1000115.2F28 G29F28-H80 AromaticContact CD2-CE1 3.87Å; F28-H80 AromaticContact CD2-NE2 3.57Å; F28-H80 AromaticContact CE2-NE2 3.33Å; F28-H80 VanDerWaalsContact CE2-NE2 3.33Å; F28-H80 WeakPolarHBondContact CE2-NE2 3.33Å; G29-H80 PolarHBondContact O-N 2.81Å
81A94.7Very high95.2Very high9 Ų945.1 Ų45.17%0.07426%0.255CS..  trans-62.7146.3171.200000110.7R78 A79 L92R78-A81 HydrophobicContact CG-CB 4.35Å; A79-A81 PolarHBondContact O-N 2.95Å; A81-L92 HydrophobicContact CB-CD2 4.46Å
82K94.4Very high95.3Very high62 Ų6237.2 Ų37.227%0.2722%0.221SC..EExtended strand (participates in β ladder)trans-109.5141.6176.9-60.3-63.8-173157.70109.3L92 Y93 S149 L164K82-L92 CarbonylContact O-C 3.56Å; K82-L92 WeakPolarHBondContact O-CA 3.45Å; K82-Y93 PolarHBondContact N-O 2.82Å; K82-Y93 PolarHBondContact O-N 2.69Å; K82-S149 PolarHBondContact NZ-OG 3.3Å; K82-L164 HydrophobicContact CB-CD1 4.1Å; K82-L164 HydrophobicContact CB-CD2 4.23Å
83G93.3Very high95.4Very high18 Ų1835.6 Ų35.619%0.18620%0.202CC..EExtended strand (participates in β ladder)trans-164.1175.9-17300000114.5L33 Y91L33-G83 WeakPolarHBondContact CD2-O 3.04Å; G83-Y91 WeakPolarHBondContact CA-O 3.44Å
84G95.9Very high95.4Very high4 Ų430.5 Ų30.54%0.04118%0.178CC..EExtended strand (participates in β ladder)trans-172.7171.3-18000000110.7Y91G84-Y91 PolarHBondContact N-O 2.78Å; G84-Y91 PolarHBondContact O-N 2.91Å
85F96.7Very high95.3Very high37 Ų3727 Ų2716%0.16216%0.164CC..EExtended strand (participates in β ladder)trans-100.6138.2176.4-81.3-82.6000111.3L33 K35 Y40 L89 L90 I121L33-F85 HydrophobicContact CB-CD2 4.28Å; L33-F85 HydrophobicContact CB-CE2 3.94Å; K35-F85 HydrophobicContact CB-CD2 3.84Å; K35-F85 HydrophobicContact CB-CE1 4.48Å; K35-F85 HydrophobicContact CB-CE2 3.64Å; K35-F85 HydrophobicContact CB-CG 4.35Å; K35-F85 HydrophobicContact CB-CZ 3.98Å; K35-F85 HydrophobicContact CD-CD1 3.61Å; K35-F85 HydrophobicContact CD-CD2 4.24Å; K35-F85 HydrophobicContact CD-CE1 3.65Å; K35-F85 HydrophobicContact CD-CE2 4.28Å; K35-F85 HydrophobicContact CD-CG 3.91Å; K35-F85 HydrophobicContact CD-CZ 4Å; Y40-F85 HydrophobicContact CD1-CZ 4.1Å; Y40-F85 AromaticContact CD2-CE2 3.87Å; Y40-F85 HydrophobicContact CD2-CE2 3.87Å; Y40-F85 AromaticContact CD2-CZ 3.63Å; Y40-F85 HydrophobicContact CD2-CZ 3.63Å; Y40-F85 HydrophobicContact CE1-CZ 4.23Å; Y40-F85 HydrophobicContact CE2-CE2 4.33Å; Y40-F85 AromaticContact CE2-CZ 3.8Å; Y40-F85 HydrophobicContact CE2-CZ 3.8Å; Y40-F85 HydrophobicContact CG-CE2 4.19Å; Y40-F85 AromaticContact CG-CZ 3.8Å; Y40-F85 HydrophobicContact CG-CZ 3.8Å; F85-L89 WeakPolarHBondContact CA-O 3.35Å; F85-L90 HydrophobicContact CD1-CB 4.07Å; F85-L90 HydrophobicContact CE1-CB 3.59Å; F85-L90 HydrophobicContact CE2-CD1 4.34Å; F85-L90 HydrophobicContact CZ-CB 3.94Å; F85-L90 HydrophobicContact CZ-CD1 4.32Å; F85-I121 HydrophobicContact CE1-CG2 4.04Å
86I96.5Very high95.1Very high24 Ų2427.7 Ų27.712%0.12317%0.169CC..EExtended strand (participates in β ladder)trans-123.4109.1162.3-51.4178000106.8N88 L89 Y91 F152 P186 E187I86-N88 PolarHBondContact O-N 2.84Å; I86-N88 VanDerWaalsContact O-N 3.14Å; I86-L89 PolarHBondContact N-O 2.9Å; I86-L89 PolarHBondContact O-N 3.31Å; I86-Y91 HydrophobicContact CB-CD2 4.42Å; I86-Y91 HydrophobicContact CB-CE2 3.98Å; I86-Y91 HydrophobicContact CD1-CD2 4.06Å; I86-Y91 HydrophobicContact CD1-CE2 3.78Å; I86-Y91 HydrophobicContact CG1-CD2 4.05Å; I86-Y91 HydrophobicContact CG1-CE2 3.95Å; I86-F152 HydrophobicContact CD1-CZ 3.92Å; I86-F152 HydrophobicContact CG1-CE1 4.26Å; I86-F152 HydrophobicContact CG1-CE2 4.5Å; I86-F152 HydrophobicContact CG1-CZ 3.54Å; I86-P186 HydrophobicContact CD1-CB 4.12Å; I86-P186 HydrophobicContact CD1-CG 4.29Å; I86-E187 HydrophobicContact CD1-CB 4.07Å
87G95Very high94.8Very high58 Ų5826.5 Ų26.560%0.59816%0.16SC*.THydrogen-bonded Turntrans53.4-122.3-170.400000110.6K35K35-G87 PolarHBondContact NZ-O 2.57Å
88N96.2Very high94.1Very high75 Ų7525 Ų2540%0.40115%0.151SC..THydrogen-bonded Turntrans-92.35.5179.7-71.7-8.1000115.1K35 I86 I121 S122K35-N88 PolarHBondContact NZ-OD1 3.49Å; I86-N88 PolarHBondContact O-N 2.84Å; I86-N88 VanDerWaalsContact O-N 3.14Å; N88-I121 HydrophobicContact CB-CD1 4.31Å; N88-I121 HydrophobicContact CB-CG1 3.93Å; N88-I121 WeakPolarHBondContact O-CG1 3.25Å; N88-I121 PolarHBondContact O-N 3.06Å; N88-I121 VanDerWaalsContact O-N 3.14Å; N88-S122 PolarHBondContact ND2-OG 2.99Å
89L97.7Very high92.9Very high49 Ų4930 Ų3026%0.25717%0.172SC..EExtended strand (participates in β ladder)trans-100.4119.3178.4-63.3178.1000110.2F85 I86 Y91 F119 N120F85-L89 WeakPolarHBondContact CA-O 3.35Å; I86-L89 PolarHBondContact N-O 2.9Å; I86-L89 PolarHBondContact O-N 3.31Å; L89-Y91 HydrophobicContact CB-CD2 4.17Å; L89-Y91 HydrophobicContact CB-CE2 3.53Å; L89-Y91 HydrophobicContact CD1-CE2 4.22Å; L89-Y91 WeakPolarHBondContact CD1-OH 3.28Å; L89-F119 WeakPolarHBondContact CA-O 3.32Å; L89-N120 HydrophobicContact CD2-CB 3.56Å
90L97.9Very high91.5Very high1 Ų134.8 Ų34.81%0.00519%0.194CC..EExtended strand (participates in β ladder)trans-81.6125163.6163.161.8000108.1L33 L55 F85 L92 S118 F119 W126L33-L90 HydrophobicContact CD1-CD1 3.14Å; L55-L90 HydrophobicContact CD1-CD2 4.03Å; L55-L90 HydrophobicContact CD2-CD2 4.32Å; F85-L90 HydrophobicContact CD1-CB 4.07Å; F85-L90 HydrophobicContact CE1-CB 3.59Å; F85-L90 HydrophobicContact CE2-CD1 4.34Å; F85-L90 HydrophobicContact CZ-CB 3.94Å; F85-L90 HydrophobicContact CZ-CD1 4.32Å; L90-L92 HydrophobicContact CD1-CD2 4.31Å; L90-L92 HydrophobicContact CD1-CG 4.33Å; L90-L92 HydrophobicContact CD2-CD1 4.45Å; L90-L92 HydrophobicContact CG-CG 4.31Å; L90-S118 CarbonylContact O-C 3.51Å; L90-S118 WeakPolarHBondContact O-CA 3.45Å; L90-F119 HydrophobicContact CB-CB 4.17Å; L90-F119 HydrophobicContact CD2-CB 4.39Å; L90-F119 PolarHBondContact N-O 2.97Å; L90-F119 PolarHBondContact O-N 3.4Å; L90-W126 HydrophobicContact CD2-CH2 4.36Å
91Y98Very high89.6Confident17 Ų1740.8 Ų40.87%0.06721%0.213CC..EExtended strand (participates in β ladder)trans-106.3140.3172.3-71.3-89.5000111.2G83 G84 I86 L89 L116 N117 V129 P186G83-Y91 WeakPolarHBondContact CA-O 3.44Å; G84-Y91 PolarHBondContact N-O 2.78Å; G84-Y91 PolarHBondContact O-N 2.91Å; I86-Y91 HydrophobicContact CB-CD2 4.42Å; I86-Y91 HydrophobicContact CB-CE2 3.98Å; I86-Y91 HydrophobicContact CD1-CD2 4.06Å; I86-Y91 HydrophobicContact CD1-CE2 3.78Å; I86-Y91 HydrophobicContact CG1-CD2 4.05Å; I86-Y91 HydrophobicContact CG1-CE2 3.95Å; L89-Y91 HydrophobicContact CB-CD2 4.17Å; L89-Y91 HydrophobicContact CB-CE2 3.53Å; L89-Y91 HydrophobicContact CD1-CE2 4.22Å; L89-Y91 WeakPolarHBondContact CD1-OH 3.28Å; Y91-L116 HydrophobicContact CD1-CD1 4.07Å; Y91-L116 HydrophobicContact CD1-CD2 4.18Å; Y91-L116 HydrophobicContact CD1-CG 4.21Å; Y91-N117 CarbonylContact C-O 3.41Å; Y91-N117 WeakPolarHBondContact CA-O 3.41Å; Y91-V129 HydrophobicContact CE1-CG2 4.13Å; Y91-P186 HydrophobicContact CD1-CB 3.45Å; Y91-P186 VanDerWaalsContact CD1-CB 3.45Å; Y91-P186 HydrophobicContact CD2-CB 4Å; Y91-P186 HydrophobicContact CE1-CB 3.65Å; Y91-P186 HydrophobicContact CE2-CB 4.2Å; Y91-P186 HydrophobicContact CG-CB 3.61Å; Y91-P186 HydrophobicContact CG-CG 4.46Å
92L97.2Very high87.5Confident0 Ų045.5 Ų45.50%025%0.252CS..EExtended strand (participates in β ladder)trans-134121.8176.5-67.3171.1000109.8A31 F42 A81 K82 L90 L116 N117 W126A31-L92 HydrophobicContact CB-CD2 3.9Å; F42-L92 HydrophobicContact CB-CD1 3.9Å; F42-L92 HydrophobicContact CD1-CD1 3.37Å; F42-L92 HydrophobicContact CD1-CD2 4.45Å; F42-L92 HydrophobicContact CD2-CD1 3.69Å; F42-L92 HydrophobicContact CE1-CD1 3.75Å; F42-L92 HydrophobicContact CE2-CD1 4.04Å; F42-L92 HydrophobicContact CG-CD1 3.33Å; F42-L92 HydrophobicContact CZ-CD1 4.08Å; A81-L92 HydrophobicContact CB-CD2 4.46Å; K82-L92 CarbonylContact O-C 3.56Å; K82-L92 WeakPolarHBondContact O-CA 3.45Å; L90-L92 HydrophobicContact CD1-CD2 4.31Å; L90-L92 HydrophobicContact CD1-CG 4.33Å; L90-L92 HydrophobicContact CD2-CD1 4.45Å; L90-L92 HydrophobicContact CG-CG 4.31Å; L92-L116 WeakPolarHBondContact O-CA 3.45Å; L92-N117 PolarHBondContact N-O 2.83Å; L92-N117 PolarHBondContact O-N 2.92Å; L92-W126 HydrophobicContact CD1-CH2 3.63Å; L92-W126 HydrophobicContact CD1-CZ3 3.89Å
93Y97.5Very high85.5Confident9 Ų946.7 Ų46.74%0.03528%0.282CS..EExtended strand (participates in β ladder)trans-115138179.5177.9-98.3000111.2K82 T114 E115 L116 L131 P142 L164 L166 I184K82-Y93 PolarHBondContact N-O 2.82Å; K82-Y93 PolarHBondContact O-N 2.69Å; Y93-T114 WeakPolarHBondContact CE2-O 3.26Å; Y93-E115 WeakPolarHBondContact CA-O 3.36Å; Y93-L116 HydrophobicContact CD2-CB 4.3Å; Y93-L131 HydrophobicContact CD2-CD1 4.01Å; Y93-L131 HydrophobicContact CE2-CD1 3.67Å; Y93-P142 HydrophobicContact CE2-CG 4.44Å; Y93-P142 WeakPolarHBondContact OH-CG 3.3Å; Y93-L164 HydrophobicContact CD1-CD2 4.03Å; Y93-L164 HydrophobicContact CG-CD2 3.95Å; Y93-L166 HydrophobicContact CD1-CD1 3.78Å; Y93-L166 HydrophobicContact CD1-CD2 4.41Å; Y93-L166 HydrophobicContact CE1-CD1 3.34Å; Y93-I184 HydrophobicContact CD1-CD1 4.03Å; Y93-I184 HydrophobicContact CD2-CD1 3.58Å; Y93-I184 HydrophobicContact CE1-CD1 3.99Å; Y93-I184 HydrophobicContact CE2-CD1 3.53Å; Y93-I184 HydrophobicContact CG-CD1 3.82Å
94G95.1Very high83.6Confident2 Ų247.5 Ų47.52%0.02129%0.285CS..  trans62.6-140.6166.300000113.8R78 L113 E115R78-G94 WeakPolarHBondContact CD-O 3.41Å; R78-G94 PolarHBondContact NH1-O 2.83Å; G94-L113 WeakPolarHBondContact CA-O 3.45Å; G94-E115 PolarHBondContact N-O 3.4Å
95G92.3Very high81.4Confident17 Ų1755.2 Ų55.218%0.17532%0.32CS..  trans98.5-168.7-171.500000112.5A79 L113A79-G95 CarbonylContact O-C 3.58Å; A79-G95 WeakPolarHBondContact O-CA 3.25Å; G95-L113 PolarHBondContact O-N 3.1Å
96C90.3Very high79.1Confident15 Ų1561.4 Ų61.410%0.10135%0.349CS..EExtended strand (participates in β ladder)trans-142.1158.1-179.964.80000112.7R78 A79 D111 W112R78-C96 CarbonylContact C-O 3.57Å; R78-C96 VanDerWaalsContact CA-O 3.31Å; R78-C96 WeakPolarHBondContact CA-O 3.42Å; A79-C96 PolarHBondContact N-O 2.85Å; A79-C96 PolarHBondContact O-N 2.88Å; C96-D111 VanDerWaalsContact CA-O 3.26Å; C96-D111 WeakPolarHBondContact CA-O 3.45Å; C96-W112 HydrophobicContact CB-CD2 4.46Å; C96-W112 HydrophobicContact CB-CE3 3.45Å; C96-W112 VanDerWaalsContact CB-CE3 3.45Å; C96-W112 HydrophobicContact CB-CZ3 3.48Å; C96-W112 VanDerWaalsContact CB-CZ3 3.48Å
97Q88.9Confident77Confident24 Ų2465.2 Ų65.211%0.11237%0.373CS..EExtended strand (participates in β ladder)trans-141.6147.4173.869.1-172.41.400110.4A51 P77 F99 D111 L113A51-Q97 HydrophobicContact CB-CB 4.26Å; P77-Q97 VanDerWaalsContact O-CB 3.3Å; P77-Q97 WeakPolarHBondContact O-CB 3.43Å; P77-Q97 PolarHBondContact O-OE1 2.83Å; Q97-F99 HydrophobicContact CG-CD2 4.43Å; Q97-F99 HydrophobicContact CG-CE2 3.74Å; Q97-F99 HydrophobicContact CG-CZ 4.08Å; Q97-D111 HydrophobicContact CG-CB 4.31Å; Q97-D111 PolarHBondContact N-O 3.31Å; Q97-D111 PolarHBondContact O-N 3.32Å; Q97-L113 HydrophobicContact CG-CD2 4.44Å
98S81Confident75.3Confident17 Ų1763.8 Ų63.812%0.11936%0.359CS..EExtended strand (participates in β ladder)trans-100138.1174.9-172.50000110.6L49L49-S98 WeakPolarHBondContact O-CB 3.33Å
99F68.8Low74.1Confident104 Ų10468.8 Ų68.846%0.45637%0.372SS..EExtended strand (participates in β ladder)trans-112.2113.5167.2-66.5-78.1000110.4Q97 R101 G108 R109 D111Q97-F99 HydrophobicContact CG-CD2 4.43Å; Q97-F99 HydrophobicContact CG-CE2 3.74Å; Q97-F99 HydrophobicContact CG-CZ 4.08Å; F99-R101 PolarHBondContact O-N 3.19Å; F99-G108 WeakPolarHBondContact O-CA 3.24Å; F99-R109 PolarHBondContact N-O 2.83Å; F99-R109 PolarHBondContact O-N 2.98Å; F99-D111 WeakPolarHBondContact CD2-OD2 3.06Å; F99-D111 HydrophobicContact CE2-CB 4.23Å; F99-D111 WeakPolarHBondContact CE2-OD2 3.25Å
100H62.9Low73.3Confident105 Ų10569.2 Ų69.249%0.48637%0.373SS..PPolyproline II helixtrans-73.3116.2164.8-71.4-67.7000108.7E48E48-H100 PolarHBondContact O-NE2 3.3Å
101R51.2Low72.7Confident210 Ų21071.1 Ų71.179%0.79238%0.384SS*.PPolyproline II helixtrans-77.6129.3171.1-146.4-177.6-146.4-1605.9107.7F99 G103 S104F99-R101 PolarHBondContact O-N 3.19Å; R101-G103 PolarHBondContact O-N 2.82Å; R101-S104 PolarHBondContact O-N 2.87Å
102A50Low72.3Confident108 Ų10874.3 Ų74.389%0.89340%0.395SS*.THydrogen-bonded Turntrans-50.6118.9173.100000109.7
103G52.4Low72.1Confident87 Ų8775.4 Ų75.490%0.89740%0.401SS*.THydrogen-bonded Turntrans97.2-2.7-178.700000116.9R101R101-G103 PolarHBondContact O-N 2.82Å
104S53.7Low72Confident34 Ų3476.7 Ų76.724%0.23841%0.41CS..  trans-110.4102166.7-177.50000109.8R101 H106 T107R101-S104 PolarHBondContact O-N 2.87Å; S104-H106 PolarHBondContact O-N 3.1Å; S104-T107 PolarHBondContact OG-N 2.74Å; S104-T107 VanDerWaalsContact OG-N 3.14Å; S104-T107 PolarHBondContact OG-OG1 3.33Å
105E51.1Low72Confident167 Ų16778.3 Ų78.378%0.7842%0.417SS*.SBendtrans-69.4-14.3-177.6-64.6-177.7173.900113.1
106H48.4Very low72.3Confident166 Ų16677.7 Ų77.777%0.76941%0.41SS*.SBendtrans-142.91.9-169.1-6090.9000116.1S104S104-H106 PolarHBondContact O-N 3.1Å
107T50.8Low72.6Confident104 Ų10477.1 Ų77.164%0.63841%0.406SS*.  trans-123.167.5177.765.80000111.8S104 R109S104-T107 PolarHBondContact OG-N 2.74Å; S104-T107 VanDerWaalsContact OG-N 3.14Å; S104-T107 PolarHBondContact OG-OG1 3.33Å; T107-R109 PolarHBondContact O-N 2.8Å
108G59.3Low73Confident28 Ų2876.5 Ų76.529%0.28940%0.404SS..PPolyproline II helixtrans-62.7124.5165.700000109.6F99F99-G108 WeakPolarHBondContact O-CA 3.24Å
109R71.8Confident73.9Confident181 Ų18175.7 Ų75.768%0.68340%0.398SS*.EExtended strand (participates in β ladder)trans-74.7129.1170.5174.9178.9159.1162.7-0.1107.8F99 T107 D111F99-R109 PolarHBondContact N-O 2.83Å; F99-R109 PolarHBondContact O-N 2.98Å; T107-R109 PolarHBondContact O-N 2.8Å; R109-D111 IonicContact CZ-OD1 3.82Å; R109-D111 IonicContact NE-OD1 2.67Å; R109-D111 PolarHBondContact NE-OD1 3.37Å; R109-D111 IonicContact NH2-OD1 3.24Å; R109-D111 PolarHBondContact NH2-OD1 3.22Å
110M80.8Confident75.3Confident57 Ų5772.8 Ų72.828%0.28139%0.388SS..EExtended strand (participates in β ladder)trans-85.3128.3169.2-73.2-66.5172.800110L49 W112L49-M110 HydrophobicContact CB-CE 3.87Å; L49-M110 HydrophobicContact CD1-CE 3.2Å; L49-M110 HydrophobicContact CD2-CE 3.96Å; L49-M110 HydrophobicContact CG-CE 3.83Å; M110-W112 HydrophobicContact CB-CH2 4.44Å; M110-W112 HydrophobicContact CB-CZ2 4.08Å
111D86.3Confident76.8Confident42 Ų4269.5 Ų69.523%0.22537%0.373CS..EExtended strand (participates in β ladder)trans-106.8129.5169.5-75.2-22.2000109.8C96 Q97 F99 R109C96-D111 VanDerWaalsContact CA-O 3.26Å; C96-D111 WeakPolarHBondContact CA-O 3.45Å; Q97-D111 HydrophobicContact CG-CB 4.31Å; Q97-D111 PolarHBondContact N-O 3.31Å; Q97-D111 PolarHBondContact O-N 3.32Å; F99-D111 WeakPolarHBondContact CD2-OD2 3.06Å; F99-D111 HydrophobicContact CE2-CB 4.23Å; F99-D111 WeakPolarHBondContact CE2-OD2 3.25Å; R109-D111 IonicContact CZ-OD1 3.82Å; R109-D111 IonicContact NE-OD1 2.67Å; R109-D111 PolarHBondContact NE-OD1 3.37Å; R109-D111 IonicContact NH2-OD1 3.24Å; R109-D111 PolarHBondContact NH2-OD1 3.22Å
112W88.9Confident79Confident83 Ų8363.3 Ų63.331%0.31436%0.362SS..EExtended strand (participates in β ladder)trans-92.9124177.2-49.7109.2000108.9C96 M110 A144 A146C96-W112 HydrophobicContact CB-CD2 4.46Å; C96-W112 HydrophobicContact CB-CE3 3.45Å; C96-W112 VanDerWaalsContact CB-CE3 3.45Å; C96-W112 HydrophobicContact CB-CZ3 3.48Å; C96-W112 VanDerWaalsContact CB-CZ3 3.48Å; M110-W112 HydrophobicContact CB-CH2 4.44Å; M110-W112 HydrophobicContact CB-CZ2 4.08Å; W112-A144 HydrophobicContact CB-CB 4Å; W112-A146 HydrophobicContact CD2-CB 3.87Å; W112-A146 VanDerWaalsContact CE2-CB 3.47Å; W112-A146 HydrophobicContact CE3-CB 4.18Å; W112-A146 HydrophobicContact CH2-CB 3.88Å; W112-A146 HydrophobicContact CZ2-CB 3.49Å; W112-A146 VanDerWaalsContact CZ2-CB 3.49Å; W112-A146 HydrophobicContact CZ3-CB 4.2Å
113L93.2Very high81.2Confident23 Ų2362.6 Ų62.612%0.1235%0.347CS..  trans-92.9146.9-174.4-54.4175.2000109.9R78 G94 G95 Q97R78-L113 HydrophobicContact CB-CD1 3.54Å; R78-L113 HydrophobicContact CG-CD1 4.43Å; G94-L113 WeakPolarHBondContact CA-O 3.45Å; G95-L113 PolarHBondContact O-N 3.1Å; Q97-L113 HydrophobicContact CG-CD2 4.44Å
114T94.9Very high83.3Confident37 Ų3761.4 Ų61.423%0.22732%0.319CS..  trans-128.414.6179.257.20000112Y93 S141 P142 A144Y93-T114 WeakPolarHBondContact CE2-O 3.26Å; T114-S141 VanDerWaalsContact O-CB 3.29Å; T114-S141 WeakPolarHBondContact O-CB 3.42Å; T114-S141 PolarHBondContact O-OG 2.84Å; T114-P142 WeakPolarHBondContact CG2-O 3.48Å; T114-A144 HydrophobicContact CG2-CB 3.46Å; T114-A144 VanDerWaalsContact CG2-CB 3.46Å
115E95.2Very high85.4Confident36 Ų3663.6 Ų63.617%0.16833%0.325CS..  trans-85.1138.9-176.8-50.4-173.4150.900110.6R78 Y93 G94 R128R78-E115 IonicContact NH2-OE2 3.75Å; R78-E115 PolarHBondContact NH2-OE2 3.34Å; R78-E115 VanDerWaalsContact NH2-OE2 3.15Å; Y93-E115 WeakPolarHBondContact CA-O 3.36Å; G94-E115 PolarHBondContact N-O 3.4Å; E115-R128 VanDerWaalsContact CD-NH2 3.33Å; E115-R128 IonicContact OE1-CZ 2.82Å; E115-R128 IonicContact OE1-NH1 3.63Å; E115-R128 PolarHBondContact OE1-NH1 2.92Å; E115-R128 IonicContact OE1-NH2 3.75Å; E115-R128 PolarHBondContact OE1-NH2 3.41Å; E115-R128 IonicContact OE2-NH1 3.22Å
116L97.8Very high87.7Confident3 Ų355.9 Ų55.92%0.01629%0.289CS..EExtended strand (participates in β ladder)trans-99.6127.5166.1-177.566.9000109.1Y91 L92 Y93 V129 L131 P186Y91-L116 HydrophobicContact CD1-CD1 4.07Å; Y91-L116 HydrophobicContact CD1-CD2 4.18Å; Y91-L116 HydrophobicContact CD1-CG 4.21Å; L92-L116 WeakPolarHBondContact O-CA 3.45Å; Y93-L116 HydrophobicContact CD2-CB 4.3Å; L116-V129 HydrophobicContact CB-CB 4.25Å; L116-V129 HydrophobicContact CD2-CB 3.79Å; L116-V129 HydrophobicContact CD2-CG1 3.76Å; L116-V129 HydrophobicContact CD2-CG2 4.49Å; L116-V129 HydrophobicContact CG-CB 3.92Å; L116-V129 HydrophobicContact CG-CG1 4.45Å; L116-V129 HydrophobicContact CG-CG2 4.45Å; L116-V129 PolarHBondContact O-N 2.92Å; L116-L131 HydrophobicContact CB-CD1 4.02Å; L116-L131 HydrophobicContact CB-CD2 4.34Å; L116-L131 HydrophobicContact CB-CG 4.04Å; L116-L131 HydrophobicContact CD2-CD2 3.74Å; L116-L131 HydrophobicContact CD2-CG 4.35Å; L116-P186 HydrophobicContact CD2-CB 4.03Å
117N97.7Very high90Very high4 Ų449.9 Ų49.92%0.02127%0.265CS..EExtended strand (participates in β ladder)trans-119.4147.8171.9-65.194.1000109.4P75 R78 Y91 L92 W126 S127P75-N117 HydrophobicContact CB-CB 4.3Å; P75-N117 HydrophobicContact CG-CB 3.75Å; R78-N117 PolarHBondContact NH1-OD1 3.39Å; Y91-N117 CarbonylContact C-O 3.41Å; Y91-N117 WeakPolarHBondContact CA-O 3.41Å; L92-N117 PolarHBondContact N-O 2.83Å; L92-N117 PolarHBondContact O-N 2.92Å; N117-W126 HydrophobicContact CB-CE3 4.28Å; N117-W126 HydrophobicContact CB-CZ3 4.31Å; N117-S127 WeakPolarHBondContact CA-O 3.36Å
118S97.9Very high92.3Very high10 Ų1050.3 Ų50.37%0.0726%0.255CS..EExtended strand (participates in β ladder)trans-119.3147.2170.665.80000110.7L90 W126 S127L90-S118 CarbonylContact O-C 3.51Å; L90-S118 WeakPolarHBondContact O-CA 3.45Å; S118-W126 CarbonylContact O-C 3.57Å; S118-W126 WeakPolarHBondContact O-CA 3.47Å; S118-S127 PolarHBondContact N-O 2.87Å; S118-S127 PolarHBondContact O-N 2.99Å
119F98.4Very high94.1Very high0 Ų050.2 Ų50.20%025%0.249CC..EExtended strand (participates in β ladder)trans-126.3119.3172.3-179.6-110.1000110.1L55 L68 L89 L90 I121 M124 H125 W126L55-F119 HydrophobicContact CD2-CD1 3.49Å; L55-F119 VanDerWaalsContact CD2-CD1 3.49Å; L55-F119 HydrophobicContact CD2-CE1 3.44Å; L55-F119 VanDerWaalsContact CD2-CE1 3.44Å; L55-F119 HydrophobicContact CD2-CG 4.1Å; L55-F119 HydrophobicContact CD2-CZ 4.01Å; L68-F119 HydrophobicContact CD1-CE1 4.13Å; L89-F119 WeakPolarHBondContact CA-O 3.32Å; L90-F119 HydrophobicContact CB-CB 4.17Å; L90-F119 HydrophobicContact CD2-CB 4.39Å; L90-F119 PolarHBondContact N-O 2.97Å; L90-F119 PolarHBondContact O-N 3.4Å; F119-I121 HydrophobicContact CD1-CG2 3.94Å; F119-I121 HydrophobicContact CE1-CG2 4.01Å; F119-M124 HydrophobicContact CE1-SD 4.24Å; F119-M124 HydrophobicContact CZ-CB 4.43Å; F119-M124 HydrophobicContact CZ-CE 3.92Å; F119-M124 HydrophobicContact CZ-SD 3.67Å; F119-H125 WeakPolarHBondContact CA-O 3.38Å; F119-W126 HydrophobicContact CB-CD2 3.79Å; F119-W126 HydrophobicContact CB-CE3 3.62Å; F119-W126 HydrophobicContact CB-CH2 3.67Å; F119-W126 HydrophobicContact CB-CZ2 3.85Å; F119-W126 HydrophobicContact CB-CZ3 3.56Å; F119-W126 AromaticContact CD2-CD1 3.57Å; F119-W126 AromaticContact CD2-CD2 3.57Å; F119-W126 HydrophobicContact CD2-CD2 3.57Å; F119-W126 AromaticContact CD2-CE2 3.36Å; F119-W126 HydrophobicContact CD2-CE3 4.3Å; F119-W126 AromaticContact CD2-CG 3.69Å; F119-W126 HydrophobicContact CD2-CG 3.69Å; F119-W126 AromaticContact CD2-CZ2 3.93Å; F119-W126 HydrophobicContact CD2-CZ2 3.93Å; F119-W126 AromaticContact CD2-NE1 3.36Å; F119-W126 AromaticContact CE2-CD1 3.86Å; F119-W126 HydrophobicContact CE2-CG 4.4Å; F119-W126 AromaticContact CE2-NE1 3.61Å; F119-W126 HydrophobicContact CG-CD2 4.05Å; F119-W126 AromaticContact CG-CE2 3.79Å; F119-W126 HydrophobicContact CG-CE3 4.38Å; F119-W126 HydrophobicContact CG-CH2 4.22Å; F119-W126 AromaticContact CG-CZ2 3.89Å; F119-W126 HydrophobicContact CG-CZ2 3.89Å; F119-W126 HydrophobicContact CG-CZ3 4.46Å
120N97.8Very high95.2Very high44 Ų4444.7 Ų44.724%0.23524%0.237CC..EExtended strand (participates in β ladder)trans-86.7111.3174.7-173.7-33.3000110L89 S122 T123 M124 H125L89-N120 HydrophobicContact CD2-CB 3.56Å; N120-S122 PolarHBondContact O-N 2.71Å; N120-S122 WeakPolarHBondContact OD1-CA 3.27Å; N120-S122 VanDerWaalsContact OD1-CB 3.32Å; N120-S122 WeakPolarHBondContact OD1-CB 2.86Å; N120-S122 PolarHBondContact OD1-N 2.87Å; N120-T123 VanDerWaalsContact CB-OG1 3.3Å; N120-T123 WeakPolarHBondContact CB-OG1 2.94Å; N120-T123 VanDerWaalsContact CG-OG1 3.23Å; N120-T123 PolarHBondContact O-N 2.83Å; N120-T123 PolarHBondContact OD1-N 2.8Å; N120-T123 VanDerWaalsContact OD1-N 3.17Å; N120-M124 VanDerWaalsContact O-CA 3.28Å; N120-M124 WeakPolarHBondContact O-CA 3.33Å; N120-M124 PolarHBondContact O-N 2.84Å; N120-H125 PolarHBondContact N-O 3.08Å; N120-H125 PolarHBondContact O-N 2.85Å
121I96.3Very high96Very high36 Ų3642.1 Ų42.119%0.18522%0.224CC..THydrogen-bonded Turntrans-68.8-22.9-178.569.1-180000112.9K35 Y40 F85 N88 F119K35-I121 HydrophobicContact CD-CD1 3.99Å; K35-I121 VanDerWaalsContact NZ-CD1 3.25Å; Y40-I121 HydrophobicContact CE1-CG2 3.97Å; F85-I121 HydrophobicContact CE1-CG2 4.04Å; N88-I121 HydrophobicContact CB-CD1 4.31Å; N88-I121 HydrophobicContact CB-CG1 3.93Å; N88-I121 WeakPolarHBondContact O-CG1 3.25Å; N88-I121 PolarHBondContact O-N 3.06Å; N88-I121 VanDerWaalsContact O-N 3.14Å; F119-I121 HydrophobicContact CD1-CG2 3.94Å; F119-I121 HydrophobicContact CE1-CG2 4.01Å
122S96Very high96.6Very high80 Ų8044 Ų4456%0.55923%0.229SC*.THydrogen-bonded Turntrans-80.3-34.9179.8-53.40000112.1N88 N120N88-S122 PolarHBondContact ND2-OG 2.99Å; N120-S122 PolarHBondContact O-N 2.71Å; N120-S122 WeakPolarHBondContact OD1-CA 3.27Å; N120-S122 VanDerWaalsContact OD1-CB 3.32Å; N120-S122 WeakPolarHBondContact OD1-CB 2.86Å; N120-S122 PolarHBondContact OD1-N 2.87Å
123T96.9Very high96.9Very high92 Ų9242.7 Ų42.756%0.56423%0.226SC*.THydrogen-bonded Turntrans-104.3-6-179.164.30000113.5N120 H125N120-T123 VanDerWaalsContact CB-OG1 3.3Å; N120-T123 WeakPolarHBondContact CB-OG1 2.94Å; N120-T123 VanDerWaalsContact CG-OG1 3.23Å; N120-T123 PolarHBondContact O-N 2.83Å; N120-T123 PolarHBondContact OD1-N 2.8Å; N120-T123 VanDerWaalsContact OD1-N 3.17Å; T123-H125 VanDerWaalsContact C-N 3.28Å; T123-H125 PolarHBondContact O-N 3.12Å; T123-H125 WeakPolarHBondContact OG1-CB 3.28Å
124M96.9Very high96.9Very high63 Ų6342.6 Ų42.631%0.3123%0.226SC..THydrogen-bonded Turntrans54.543.3-175.3-61.4-68.3-69.300112.3L68 G70 K71 F119 N120L68-M124 HydrophobicContact CB-CE 3.86Å; L68-M124 HydrophobicContact CD1-CE 4.43Å; L68-M124 HydrophobicContact CD2-CE 4.02Å; L68-M124 HydrophobicContact CG-CE 4.31Å; G70-M124 VanDerWaalsContact CA-O 3.3Å; G70-M124 WeakPolarHBondContact CA-O 3.44Å; K71-M124 PolarHBondContact N-O 3.03Å; F119-M124 HydrophobicContact CE1-SD 4.24Å; F119-M124 HydrophobicContact CZ-CB 4.43Å; F119-M124 HydrophobicContact CZ-CE 3.92Å; F119-M124 HydrophobicContact CZ-SD 3.67Å; N120-M124 VanDerWaalsContact O-CA 3.28Å; N120-M124 WeakPolarHBondContact O-CA 3.33Å; N120-M124 PolarHBondContact O-N 2.84Å
125H98Very high96.6Very high80 Ų8048 Ų4837%0.3725%0.254SS..EExtended strand (participates in β ladder)trans-120.9128.1-173.4-160.584.3000111.7F119 N120 T123 S127F119-H125 WeakPolarHBondContact CA-O 3.38Å; N120-H125 PolarHBondContact N-O 3.08Å; N120-H125 PolarHBondContact O-N 2.85Å; T123-H125 VanDerWaalsContact C-N 3.28Å; T123-H125 PolarHBondContact O-N 3.12Å; T123-H125 WeakPolarHBondContact OG1-CB 3.28Å; H125-S127 PolarHBondContact CD2-OG 2.92Å
126W98.4Very high96.4Very high4 Ų451 Ų512%0.01527%0.268CS..EExtended strand (participates in β ladder)trans-90.8136.2169.3-73.8100.9000110.4F42 L55 K71 G72 E73 L74 P75 L90 L92 N117 S118 F119F42-W126 AromaticContact CD2-CH2 3.76Å; F42-W126 HydrophobicContact CD2-CH2 3.76Å; F42-W126 AromaticContact CD2-CZ2 3.94Å; F42-W126 HydrophobicContact CD2-CZ2 3.94Å; F42-W126 AromaticContact CE2-CH2 3.71Å; F42-W126 HydrophobicContact CE2-CH2 3.71Å; F42-W126 AromaticContact CE2-CZ2 3.82Å; F42-W126 HydrophobicContact CE2-CZ2 3.82Å; L55-W126 HydrophobicContact CB-CZ2 4.16Å; L55-W126 HydrophobicContact CD2-CZ2 3.89Å; K71-W126 PolarHBondContact O-N 3.27Å; G72-W126 CarbonylContact C-O 3.49Å; G72-W126 WeakPolarHBondContact CA-O 3.11Å; E73-W126 PolarHBondContact N-O 2.9Å; E73-W126 WeakPolarHBondContact O-CB 3.3Å; L74-W126 HydrophobicContact CG-CG 4.5Å; P75-W126 HydrophobicContact CG-CD2 4.2Å; P75-W126 HydrophobicContact CG-CE3 3.6Å; P75-W126 HydrophobicContact CG-CH2 4.09Å; P75-W126 HydrophobicContact CG-CZ3 3.53Å; L90-W126 HydrophobicContact CD2-CH2 4.36Å; L92-W126 HydrophobicContact CD1-CH2 3.63Å; L92-W126 HydrophobicContact CD1-CZ3 3.89Å; N117-W126 HydrophobicContact CB-CE3 4.28Å; N117-W126 HydrophobicContact CB-CZ3 4.31Å; S118-W126 CarbonylContact O-C 3.57Å; S118-W126 WeakPolarHBondContact O-CA 3.47Å; F119-W126 HydrophobicContact CB-CD2 3.79Å; F119-W126 HydrophobicContact CB-CE3 3.62Å; F119-W126 HydrophobicContact CB-CH2 3.67Å; F119-W126 HydrophobicContact CB-CZ2 3.85Å; F119-W126 HydrophobicContact CB-CZ3 3.56Å; F119-W126 AromaticContact CD2-CD1 3.57Å; F119-W126 AromaticContact CD2-CD2 3.57Å; F119-W126 HydrophobicContact CD2-CD2 3.57Å; F119-W126 AromaticContact CD2-CE2 3.36Å; F119-W126 HydrophobicContact CD2-CE3 4.3Å; F119-W126 AromaticContact CD2-CG 3.69Å; F119-W126 HydrophobicContact CD2-CG 3.69Å; F119-W126 AromaticContact CD2-CZ2 3.93Å; F119-W126 HydrophobicContact CD2-CZ2 3.93Å; F119-W126 AromaticContact CD2-NE1 3.36Å; F119-W126 AromaticContact CE2-CD1 3.86Å; F119-W126 HydrophobicContact CE2-CG 4.4Å; F119-W126 AromaticContact CE2-NE1 3.61Å; F119-W126 HydrophobicContact CG-CD2 4.05Å; F119-W126 AromaticContact CG-CE2 3.79Å; F119-W126 HydrophobicContact CG-CE3 4.38Å; F119-W126 HydrophobicContact CG-CH2 4.22Å; F119-W126 AromaticContact CG-CZ2 3.89Å; F119-W126 HydrophobicContact CG-CZ2 3.89Å; F119-W126 HydrophobicContact CG-CZ3 4.46Å
127S97.9Very high96.1Very high40 Ų4059.2 Ų59.228%0.2831%0.311SS..EExtended strand (participates in β ladder)trans-132.5143.4173.1-57.20000109.8N117 S118 H125N117-S127 WeakPolarHBondContact CA-O 3.36Å; S118-S127 PolarHBondContact N-O 2.87Å; S118-S127 PolarHBondContact O-N 2.99Å; H125-S127 PolarHBondContact CD2-OG 2.92Å
128R97.1Very high95.9Very high113 Ų11362.4 Ų62.443%0.42633%0.333SS..EExtended strand (participates in β ladder)trans-76.9137.9163.3-170.7-178.6-176.5116.62.9108.6E73 E115E73-R128 HydrophobicContact CB-CB 4.41Å; E73-R128 WeakPolarHBondContact OE2-CB 3.4Å; E73-R128 PolarHBondContact OE2-N 3.3Å; E115-R128 VanDerWaalsContact CD-NH2 3.33Å; E115-R128 IonicContact OE1-CZ 2.82Å; E115-R128 IonicContact OE1-NH1 3.63Å; E115-R128 PolarHBondContact OE1-NH1 2.92Å; E115-R128 IonicContact OE1-NH2 3.75Å; E115-R128 PolarHBondContact OE1-NH2 3.41Å; E115-R128 IonicContact OE2-NH1 3.22Å
129V97.1Very high95.8Very high26 Ų2665.8 Ų65.816%0.15836%0.355CS..EExtended strand (participates in β ladder)trans-111.4104.1176.1-1750000107.4Y91 L116 L131Y91-V129 HydrophobicContact CE1-CG2 4.13Å; L116-V129 HydrophobicContact CB-CB 4.25Å; L116-V129 HydrophobicContact CD2-CB 3.79Å; L116-V129 HydrophobicContact CD2-CG1 3.76Å; L116-V129 HydrophobicContact CD2-CG2 4.49Å; L116-V129 HydrophobicContact CG-CB 3.92Å; L116-V129 HydrophobicContact CG-CG1 4.45Å; L116-V129 HydrophobicContact CG-CG2 4.45Å; L116-V129 PolarHBondContact O-N 2.92Å; V129-L131 PolarHBondContact O-N 2.84Å
130P96.5Very high95.6Very high66 Ų6668.3 Ų68.343%0.42937%0.37SS..  trans-57.7134.1174.2-21.933.2000109.9Y132 P139P130-Y132 HydrophobicContact CB-CE2 3.99Å; P130-P139 HydrophobicContact CB-CB 4.34Å
131L97.9Very high95.5Very high3 Ų368 Ų682%0.01637%0.372CS..  trans-99137.7175.5-74.6177.3000110Y93 L116 V129 P139 V140 I184 G189Y93-L131 HydrophobicContact CD2-CD1 4.01Å; Y93-L131 HydrophobicContact CE2-CD1 3.67Å; L116-L131 HydrophobicContact CB-CD1 4.02Å; L116-L131 HydrophobicContact CB-CD2 4.34Å; L116-L131 HydrophobicContact CB-CG 4.04Å; L116-L131 HydrophobicContact CD2-CD2 3.74Å; L116-L131 HydrophobicContact CD2-CG 4.35Å; V129-L131 PolarHBondContact O-N 2.84Å; L131-P139 CarbonylContact O-C 3.57Å; L131-P139 VanDerWaalsContact O-CA 3.25Å; L131-P139 WeakPolarHBondContact O-CA 3.4Å; L131-V140 CarbonylContact C-O 3.51Å; L131-V140 CarbonylContact O-C 3.58Å; L131-V140 PolarHBondContact O-N 2.87Å; L131-I184 HydrophobicContact CD1-CD1 4.33Å; L131-I184 HydrophobicContact CD2-CG2 3.81Å; L131-G189 CarbonylContact C-O 3.54Å; L131-G189 VanDerWaalsContact CA-O 3.32Å; L131-G189 WeakPolarHBondContact CA-O 3.45Å
132Y97.4Very high95.4Very high82 Ų8266.3 Ų66.332%0.32236%0.363SS..EExtended strand (participates in β ladder)trans-118.8133.8173-61.2-99.4000109P130 P139 G189 C190 W191P130-Y132 HydrophobicContact CB-CE2 3.99Å; Y132-P139 HydrophobicContact CD1-CB 4.48Å; Y132-P139 HydrophobicContact CD1-CG 4.39Å; Y132-P139 HydrophobicContact CE1-CB 4.13Å; Y132-P139 HydrophobicContact CE1-CG 3.61Å; Y132-G189 PolarHBondContact N-O 2.82Å; Y132-C190 CarbonylContact O-C 3.51Å; Y132-C190 WeakPolarHBondContact O-CA 3.43Å; Y132-W191 VanDerWaalsContact C-CD1 3.46Å; Y132-W191 PolarHBondContact O-N 3.27Å
133E96.3Very high95.2Very high55 Ų5565.8 Ų65.826%0.25736%0.357SS..EExtended strand (participates in β ladder)trans-66.5138.8163.1-174168-159.400108.2N135 H136 V140 W191E133-N135 PolarHBondContact O-N 3.35Å; E133-H136 HydrophobicContact CB-CB 4.06Å; E133-H136 WeakPolarHBondContact O-CB 3.36Å; E133-H136 PolarHBondContact O-N 3.37Å; E133-H136 IonicContact OE2-CD2 3.99Å; E133-H136 IonicContact OE2-NE2 3.56Å; E133-V140 HydrophobicContact CB-CG1 3.64Å; E133-W191 WeakPolarHBondContact CA-O 3.07Å; E133-W191 HydrophobicContact CB-CD2 4.48Å; E133-W191 HydrophobicContact CB-CH2 4.41Å; E133-W191 HydrophobicContact CB-CZ2 3.67Å; E133-W191 HydrophobicContact CG-CH2 4.1Å; E133-W191 HydrophobicContact CG-CZ2 3.86Å
134V93.4Very high94.9Very high20 Ų2063.6 Ų63.612%0.12135%0.349CS..THydrogen-bonded Turntrans-55.5135.2178.2170.70000109.7H136 C190 W191 I192 W286 F287V134-H136 PolarHBondContact O-N 3.03Å; V134-C190 HydrophobicContact CG2-CB 4.27Å; V134-W191 PolarHBondContact N-O 2.9Å; V134-I192 HydrophobicContact CB-CG2 3.6Å; V134-I192 HydrophobicContact CG1-CG2 4.41Å; V134-I192 HydrophobicContact CG2-CG2 3.25Å; V134-W286 HydrophobicContact CG2-CH2 4.42Å; V134-W286 HydrophobicContact CG2-CZ2 4.17Å; V134-F287 HydrophobicContact CG1-CB 4.49Å; V134-F287 HydrophobicContact CG1-CD1 4.16Å; V134-F287 HydrophobicContact CG1-CD2 3.69Å; V134-F287 HydrophobicContact CG1-CE1 4.32Å; V134-F287 HydrophobicContact CG1-CE2 3.87Å; V134-F287 HydrophobicContact CG1-CG 3.85Å; V134-F287 HydrophobicContact CG1-CZ 4.19Å; V134-F287 HydrophobicContact CG2-CB 4.03Å; V134-F287 HydrophobicContact CG2-CD1 4.09Å; V134-F287 HydrophobicContact CG2-CG 4.02Å
135N88.1Confident94.6Very high151 Ų15161.2 Ų61.281%0.80734%0.337SS*.THydrogen-bonded Turntrans70.11.6-173.8-49.6-41.3000116.1E133E133-N135 PolarHBondContact O-N 3.35Å
136H90.8Very high94Very high99 Ų9958 Ų5846%0.45833%0.325SS..  trans-92.5136.5170.4-79.9-103.8000111.7E133 V134 V140E133-H136 HydrophobicContact CB-CB 4.06Å; E133-H136 WeakPolarHBondContact O-CB 3.36Å; E133-H136 PolarHBondContact O-N 3.37Å; E133-H136 IonicContact OE2-CD2 3.99Å; E133-H136 IonicContact OE2-NE2 3.56Å; V134-H136 PolarHBondContact O-N 3.03Å; H136-V140 HydrophobicContact CB-CG1 4.47Å
137L90.4Very high93.2Very high175 Ų17560 Ų6092%0.91635%0.346SS*.SBendtrans-82.3-26.9-178.9-66.7170.4000113.3
138S94.6Very high92.8Very high72 Ų7259.4 Ų59.450%0.50334%0.339SS..SBendtrans-101.1143.3-178.557.40000111.2V140S138-V140 PolarHBondContact O-N 2.84Å
139P94.9Very high92.5Very high80 Ų8054.8 Ų54.852%0.51932%0.324SS..  trans-58.1125.9175-17.226.1000111P130 L131 Y132P130-P139 HydrophobicContact CB-CB 4.34Å; L131-P139 CarbonylContact O-C 3.57Å; L131-P139 VanDerWaalsContact O-CA 3.25Å; L131-P139 WeakPolarHBondContact O-CA 3.4Å; Y132-P139 HydrophobicContact CD1-CB 4.48Å; Y132-P139 HydrophobicContact CD1-CG 4.39Å; Y132-P139 HydrophobicContact CE1-CB 4.13Å; Y132-P139 HydrophobicContact CE1-CG 3.61Å
140V95.7Very high92.3Very high54 Ų5453.8 Ų53.833%0.32732%0.319SS..  trans-144.4125.2174.360.30000107.2L131 E133 H136 S138 W191L131-V140 CarbonylContact C-O 3.51Å; L131-V140 CarbonylContact O-C 3.58Å; L131-V140 PolarHBondContact O-N 2.87Å; E133-V140 HydrophobicContact CB-CG1 3.64Å; H136-V140 HydrophobicContact CB-CG1 4.47Å; S138-V140 PolarHBondContact O-N 2.84Å; V140-W191 PolarHBondContact O-NE1 2.98Å
141S95.1Very high92.2Very high37 Ų3751.3 Ų51.326%0.25930%0.304SS..PPolyproline II helixtrans-82159.5173.7-69.10000110.7T114T114-S141 VanDerWaalsContact O-CB 3.29Å; T114-S141 WeakPolarHBondContact O-CB 3.42Å; T114-S141 PolarHBondContact O-OG 2.84Å
142P94.5Very high92.1Very high1 Ų152.6 Ų52.61%0.00631%0.309CS..PPolyproline II helixtrans-54148.5167.9-17.726000111.3Y93 T114 F182 I184 W191Y93-P142 HydrophobicContact CE2-CG 4.44Å; Y93-P142 WeakPolarHBondContact OH-CG 3.3Å; T114-P142 WeakPolarHBondContact CG2-O 3.48Å; P142-F182 HydrophobicContact CB-CD2 3.63Å; P142-F182 HydrophobicContact CB-CE2 3.97Å; P142-F182 HydrophobicContact CB-CG 4.13Å; P142-I184 HydrophobicContact CG-CD1 4.07Å; P142-I184 HydrophobicContact CG-CG1 4.23Å; P142-W191 HydrophobicContact CB-CD2 4.15Å; P142-W191 HydrophobicContact CB-CE3 4.07Å; P142-W191 HydrophobicContact CB-CH2 4.49Å; P142-W191 HydrophobicContact CB-CZ3 4.25Å; P142-W191 HydrophobicContact CG-CB 4.26Å; P142-W191 HydrophobicContact CG-CD2 3.57Å; P142-W191 HydrophobicContact CG-CE3 3.88Å; P142-W191 HydrophobicContact CG-CG 3.72Å
143P91.9Very high92Very high68 Ų6848.7 Ų48.744%0.44229%0.294SS..PPolyproline II helixtrans-51.2140.5175.4-27.633.9000112.7I145 F182P143-I145 PolarHBondContact O-N 2.87Å; P143-F182 HydrophobicContact CG-CE2 4.5Å; P143-F182 HydrophobicContact CG-CZ 4.06Å
144A90.6Very high91.9Very high47 Ų4749 Ų4939%0.38830%0.3SS..PPolyproline II helixtrans-72.7119.9177.700000110.6W112 T114W112-A144 HydrophobicContact CB-CB 4Å; T114-A144 HydrophobicContact CG2-CB 3.46Å; T114-A144 VanDerWaalsContact CG2-CB 3.46Å
145I90Very high91.9Very high12 Ų1255.1 Ų55.16%0.06233%0.325CS..  trans-127.3126.1-177.4-58.1170.6000109.5P143 Q148 G168 M170 V178 Y180 F182P143-I145 PolarHBondContact O-N 2.87Å; I145-Q148 HydrophobicContact CB-CB 4.05Å; I145-Q148 HydrophobicContact CG2-CB 4.15Å; I145-G168 WeakPolarHBondContact CG2-O 3.43Å; I145-M170 WeakPolarHBondContact CG2-O 3.46Å; I145-V178 HydrophobicContact CD1-CG2 4.19Å; I145-V178 HydrophobicContact CG2-CG2 4.09Å; I145-Y180 HydrophobicContact CD1-CD2 3.61Å; I145-Y180 HydrophobicContact CD1-CG 4.28Å; I145-F182 HydrophobicContact CD1-CE2 3.61Å; I145-F182 HydrophobicContact CD1-CZ 4.1Å
146A85.8Confident92.1Very high13 Ų1349.1 Ų49.111%0.10730%0.299CS..BIsolated β-bridgetrans-71.8131-177.700000110.8W112 Q148 G169 M170W112-A146 HydrophobicContact CD2-CB 3.87Å; W112-A146 VanDerWaalsContact CE2-CB 3.47Å; W112-A146 HydrophobicContact CE3-CB 4.18Å; W112-A146 HydrophobicContact CH2-CB 3.88Å; W112-A146 HydrophobicContact CZ2-CB 3.49Å; W112-A146 VanDerWaalsContact CZ2-CB 3.49Å; W112-A146 HydrophobicContact CZ3-CB 4.2Å; A146-Q148 PolarHBondContact O-N 2.95Å; A146-G169 CarbonylContact O-C 3.6Å; A146-G169 WeakPolarHBondContact O-CA 3.32Å; A146-M170 HydrophobicContact CB-CB 4.33Å; A146-M170 PolarHBondContact N-O 2.89Å; A146-M170 PolarHBondContact O-N 3.49Å
147G81.4Confident91.9Very high45 Ų4546.3 Ų46.346%0.46430%0.297SS..THydrogen-bonded Turntrans63.920.6178.700000114.4S149G147-S149 PolarHBondContact O-N 3.36Å
148Q88.7Confident91.6Very high28 Ų2844.7 Ų44.713%0.13129%0.294CS..  trans-60.7129.4168.1-175.5175.550.300109I145 A146 L166 G168I145-Q148 HydrophobicContact CB-CB 4.05Å; I145-Q148 HydrophobicContact CG2-CB 4.15Å; A146-Q148 PolarHBondContact O-N 2.95Å; Q148-L166 HydrophobicContact CG-CB 4.01Å; Q148-G168 WeakPolarHBondContact CG-O 2.94Å
149S91.1Very high91.3Very high16 Ų1643.4 Ų43.411%0.11229%0.292CS..EExtended strand (participates in β ladder)trans-113168.9176.9-151.90000109.9K82 G147 L166 F167 H212K82-S149 PolarHBondContact NZ-OG 3.3Å; G147-S149 PolarHBondContact O-N 3.36Å; S149-L166 CarbonylContact O-C 3.57Å; S149-L166 WeakPolarHBondContact O-CA 3.38Å; S149-F167 PolarHBondContact N-O 2.69Å; S149-F167 PolarHBondContact O-N 2.79Å; S149-H212 WeakPolarHBondContact CB-NE2 3.12Å
150G92.5Very high91.2Very high6 Ų640.1 Ų40.16%0.06227%0.27CS..EExtended strand (participates in β ladder)trans173.5164.6-17100000111.6V165 T214G150-V165 CarbonylContact C-O 3.48Å; G150-V165 WeakPolarHBondContact CA-O 3.29Å; G150-T214 VanDerWaalsContact CA-OG1 3.32Å; G150-T214 WeakPolarHBondContact CA-OG1 3.44Å; G150-T214 PolarHBondContact N-OG1 3.15Å; G150-T214 VanDerWaalsContact N-OG1 3.16Å; G150-T214 PolarHBondContact O-OG1 3.4Å; G150-T214 VanDerWaalsContact O-OG1 3.08Å
151C95Very high91.1Very high14 Ų1438.5 Ų38.510%0.09526%0.26CS..EExtended strand (participates in β ladder)trans-135.4159176.873.10000111.1V165 C215 M222C151-V165 PolarHBondContact N-O 3.14Å; C151-V165 VanDerWaalsContact N-O 3.14Å; C151-V165 PolarHBondContact O-N 3.14Å; C151-C215 VanDerWaalsContact SG-C 3.57Å; C151-M222 WeakPolarHBondContact SG-CG 3.43Å; C151-M222 VanDerWaalsContact SG-SD 3.7Å
152F95.3Very high91.2Very high30 Ų3037 Ų3713%0.13225%0.25CS..EExtended strand (participates in β ladder)trans-87.7119.7174.8-161.5-91.8000109.3I86 L164 P186I86-F152 HydrophobicContact CD1-CZ 3.92Å; I86-F152 HydrophobicContact CG1-CE1 4.26Å; I86-F152 HydrophobicContact CG1-CE2 4.5Å; I86-F152 HydrophobicContact CG1-CZ 3.54Å; F152-L164 HydrophobicContact CD2-CB 4.29Å; F152-P186 HydrophobicContact CE2-CG 4.06Å
153L95.8Very high91.4Very high0 Ų037 Ų370%025%0.25CS..EExtended strand (participates in β ladder)trans-89.4122.4168.5-59.3-173.8000108.3S162 V163 V165 A216 R221 M222 W291L153-S162 CarbonylContact O-C 3.46Å; L153-S162 VanDerWaalsContact O-CA 3.28Å; L153-S162 WeakPolarHBondContact O-CA 3.45Å; L153-V163 HydrophobicContact CB-CG2 3.92Å; L153-V163 HydrophobicContact CD1-CG2 4.16Å; L153-V163 HydrophobicContact CG-CG2 4.34Å; L153-V163 PolarHBondContact N-O 2.98Å; L153-V163 PolarHBondContact O-N 3.06Å; L153-V165 HydrophobicContact CD1-CG2 3.86Å; L153-V165 HydrophobicContact CG-CG2 4.09Å; L153-A216 HydrophobicContact CD2-CB 3.76Å; L153-R221 WeakPolarHBondContact CD2-O 3.21Å; L153-M222 HydrophobicContact CD2-CB 4.34Å; L153-W291 HydrophobicContact CD1-CH2 4Å; L153-W291 HydrophobicContact CD1-CZ3 4.18Å
154P93.7Very high91.6Very high61 Ų6134 Ų3440%0.39623%0.23SC..PPolyproline II helixtrans-67.9166.7177.829.8-35.5000111.1G156 S219P154-G156 PolarHBondContact O-N 3.49Å; P154-S219 WeakPolarHBondContact O-CB 3.44Å
155K94.4Very high92Very high149 Ų14931.8 Ų31.865%0.64821%0.212SC*.PPolyproline II helixtrans-52.8129.2171.4-172174-177.5169.90110.1E160 S162K155-E160 WeakPolarHBondContact CG-O 3.47Å; K155-S162 PolarHBondContact N-OG 2.87Å
156G91Very high92.3Very high24 Ų2431.3 Ų31.325%0.24721%0.209CC..  trans-97.7-13817700000111.5P154 E160P154-G156 PolarHBondContact O-N 3.49Å; G156-E160 WeakPolarHBondContact CA-OE2 3.37Å; G156-E160 PolarHBondContact N-O 2.78Å
157G87.1Confident92.8Very high41 Ų4130.9 Ų30.942%0.42321%0.205SC..SBendtrans-68.8-163.9174.400000114G159 E160G157-G159 PolarHBondContact O-N 2.82Å; G157-E160 PolarHBondContact N-OE2 3.45Å; G157-E160 PolarHBondContact O-N 2.84Å
158V85.4Confident93.4Very high141 Ų14128.7 Ų28.786%0.85518%0.183SC*.THydrogen-bonded Turntrans-63.8131176.8-179.10000109.4E160 P280V158-E160 PolarHBondContact O-N 3.25Å; V158-P280 WeakPolarHBondContact O-CG 3.47Å
159G87.3Confident93.4Very high44 Ų4427.4 Ų27.445%0.45418%0.177SC..THydrogen-bonded Turntrans76.43.4-178.500000115.2G157 P161G157-G159 PolarHBondContact O-N 2.82Å; G159-P161 WeakPolarHBondContact O-CD 3.35Å
160E92.2Very high93.2Very high11 Ų1127.7 Ų27.75%0.05118%0.176CC..  trans-106.681.3-178.9-71.1178.6-17900110.5K155 G156 G157 V158 N220 S279 P280K155-E160 WeakPolarHBondContact CG-O 3.47Å; G156-E160 WeakPolarHBondContact CA-OE2 3.37Å; G156-E160 PolarHBondContact N-O 2.78Å; G157-E160 PolarHBondContact N-OE2 3.45Å; G157-E160 PolarHBondContact O-N 2.84Å; V158-E160 PolarHBondContact O-N 3.25Å; E160-N220 PolarHBondContact OE1-ND2 2.69Å; E160-N220 PolarHBondContact OE2-ND2 2.97Å; E160-N220 PolarHBondContact OE2-OD1 3.17Å; E160-S279 VanDerWaalsContact OE1-CA 3.26Å; E160-S279 WeakPolarHBondContact OE1-CA 3.4Å; E160-S279 VanDerWaalsContact OE1-CB 3.28Å; E160-S279 WeakPolarHBondContact OE1-CB 3.18Å; E160-S279 PolarHBondContact OE1-OG 3.22Å; E160-P280 HydrophobicContact CG-CG 4.28Å
161P95.1Very high93Very high20 Ų2028 Ų2813%0.1318%0.178CC..  trans-68.2164.5-178.830.6-36.7000111.5G159 V163 R277 W286G159-P161 WeakPolarHBondContact O-CD 3.35Å; P161-V163 HydrophobicContact CG-CG1 4.41Å; P161-R277 PolarHBondContact O-NH1 2.82Å; P161-W286 HydrophobicContact CG-CB 3.55Å; P161-W286 HydrophobicContact CG-CD2 4.46Å; P161-W286 HydrophobicContact CG-CG 3.86Å
162S96.7Very high92.2Very high7 Ų734 Ų345%0.04921%0.205CC..  trans-63.4136.2166.9-61.20000110.3L153 K155L153-S162 CarbonylContact O-C 3.46Å; L153-S162 VanDerWaalsContact O-CA 3.28Å; L153-S162 WeakPolarHBondContact O-CA 3.45Å; K155-S162 PolarHBondContact N-OG 2.87Å
163V97.5Very high91.4Very high1 Ų137.9 Ų37.91%0.00624%0.235CC..EExtended strand (participates in β ladder)trans-137.3146.8-179.9-65.60000111.7L153 P161 V165 V183 I184 W286 W291L153-V163 HydrophobicContact CB-CG2 3.92Å; L153-V163 HydrophobicContact CD1-CG2 4.16Å; L153-V163 HydrophobicContact CG-CG2 4.34Å; L153-V163 PolarHBondContact N-O 2.98Å; L153-V163 PolarHBondContact O-N 3.06Å; P161-V163 HydrophobicContact CG-CG1 4.41Å; V163-V165 HydrophobicContact CG2-CG2 4.07Å; V163-V183 HydrophobicContact CB-CG1 3.72Å; V163-V183 HydrophobicContact CG1-CG1 3.89Å; V163-V183 HydrophobicContact CG2-CG1 4.06Å; V163-I184 CarbonylContact C-O 3.59Å; V163-I184 VanDerWaalsContact CA-O 3.25Å; V163-I184 WeakPolarHBondContact CA-O 3.03Å; V163-I184 WeakPolarHBondContact CB-O 3.39Å; V163-W286 HydrophobicContact CG1-CE3 4.39Å; V163-W291 HydrophobicContact CG2-CH2 4.32Å
164L97.8Very high90.7Very high5 Ų542.4 Ų42.43%0.02626%0.259CS..EExtended strand (participates in β ladder)trans-97.4114.9166.9171.861.6000108.2K82 Y93 F152 L166 I184K82-L164 HydrophobicContact CB-CD1 4.1Å; K82-L164 HydrophobicContact CB-CD2 4.23Å; Y93-L164 HydrophobicContact CD1-CD2 4.03Å; Y93-L164 HydrophobicContact CG-CD2 3.95Å; F152-L164 HydrophobicContact CD2-CB 4.29Å; L164-L166 HydrophobicContact CD1-CD2 4.11Å; L164-L166 HydrophobicContact CD2-CD2 4.19Å; L164-L166 HydrophobicContact CG-CD2 4.01Å; L164-L166 HydrophobicContact CG-CG 4.16Å; L164-I184 HydrophobicContact CB-CB 4.28Å; L164-I184 HydrophobicContact CD2-CD1 4.31Å; L164-I184 PolarHBondContact N-O 3.15Å; L164-I184 PolarHBondContact O-N 2.8Å
165V97.6Very high90.2Very high0 Ų041.4 Ų41.40%026%0.259CS..EExtended strand (participates in β ladder)trans-97129.5177.4-175.40000108.8G150 C151 L153 V163 L181 V183 M222 L275 W291G150-V165 CarbonylContact C-O 3.48Å; G150-V165 WeakPolarHBondContact CA-O 3.29Å; C151-V165 PolarHBondContact N-O 3.14Å; C151-V165 VanDerWaalsContact N-O 3.14Å; C151-V165 PolarHBondContact O-N 3.14Å; L153-V165 HydrophobicContact CD1-CG2 3.86Å; L153-V165 HydrophobicContact CG-CG2 4.09Å; V163-V165 HydrophobicContact CG2-CG2 4.07Å; V165-L181 HydrophobicContact CG1-CD1 3.59Å; V165-V183 HydrophobicContact CG2-CG2 4.48Å; V165-M222 HydrophobicContact CB-SD 3.99Å; V165-M222 HydrophobicContact CG1-CE 3.72Å; V165-M222 HydrophobicContact CG1-SD 3.85Å; V165-L275 HydrophobicContact CG1-CD2 3.7Å; V165-W291 HydrophobicContact CG2-CH2 3.81Å; V165-W291 HydrophobicContact CG2-CZ3 4.2Å
166L96.9Very high89.9Confident2 Ų239.8 Ų39.81%0.0126%0.257CS..EExtended strand (participates in β ladder)trans-123129.7-177.9-60.6170.4000109.8Y93 Q148 S149 L164 L181 F182 I184Y93-L166 HydrophobicContact CD1-CD1 3.78Å; Y93-L166 HydrophobicContact CD1-CD2 4.41Å; Y93-L166 HydrophobicContact CE1-CD1 3.34Å; Q148-L166 HydrophobicContact CG-CB 4.01Å; S149-L166 CarbonylContact O-C 3.57Å; S149-L166 WeakPolarHBondContact O-CA 3.38Å; L164-L166 HydrophobicContact CD1-CD2 4.11Å; L164-L166 HydrophobicContact CD2-CD2 4.19Å; L164-L166 HydrophobicContact CG-CD2 4.01Å; L164-L166 HydrophobicContact CG-CG 4.16Å; L166-L181 WeakPolarHBondContact O-CA 3.38Å; L166-L181 WeakPolarHBondContact O-CD1 3.44Å; L166-F182 HydrophobicContact CB-CB 4.33Å; L166-F182 PolarHBondContact N-O 3.17Å; L166-F182 PolarHBondContact O-N 2.79Å; L166-I184 HydrophobicContact CD1-CD1 3.7Å; L166-I184 HydrophobicContact CD1-CG1 4.39Å
167F95.7Very high89.8Confident3 Ų339.5 Ų39.51%0.01325%0.251CS..EExtended strand (participates in β ladder)trans-129.5141.4-178.7179.9-100.5000112.2S149 N179 Y180 L181 P206 R209 H212 M222 L224 W293S149-F167 PolarHBondContact N-O 2.69Å; S149-F167 PolarHBondContact O-N 2.79Å; F167-N179 HydrophobicContact CE2-CB 3.99Å; F167-N179 HydrophobicContact CZ-CB 4.02Å; F167-Y180 CarbonylContact C-O 3.55Å; F167-Y180 VanDerWaalsContact CA-O 3.31Å; F167-Y180 WeakPolarHBondContact CA-O 3.16Å; F167-L181 HydrophobicContact CB-CD1 4.4Å; F167-L181 HydrophobicContact CD2-CB 4.46Å; F167-L181 HydrophobicContact CD2-CD1 4.41Å; F167-P206 HydrophobicContact CE1-CB 4.31Å; F167-P206 HydrophobicContact CE1-CG 4.5Å; F167-P206 HydrophobicContact CE2-CG 4.01Å; F167-P206 HydrophobicContact CZ-CB 3.76Å; F167-P206 HydrophobicContact CZ-CG 3.74Å; F167-R209 HydrophobicContact CE1-CG 3.79Å; F167-H212 AromaticContact CD1-NE2 3.79Å; F167-H212 PolarHBondContact O-CE1 2.87Å; F167-H212 PolarHBondContact O-NE2 2.86Å; F167-M222 HydrophobicContact CB-CE 4.21Å; F167-L224 HydrophobicContact CD1-CD1 3.78Å; F167-L224 HydrophobicContact CD1-CD2 3.66Å; F167-L224 HydrophobicContact CD1-CG 4.37Å; F167-L224 HydrophobicContact CE1-CD1 4.13Å; F167-L224 HydrophobicContact CE1-CD2 3.39Å; F167-L224 HydrophobicContact CE1-CG 4.42Å; F167-L224 HydrophobicContact CG-CD2 4.44Å; F167-L224 HydrophobicContact CZ-CD2 4Å; F167-W293 HydrophobicContact CD2-CH2 4.3Å; F167-W293 AromaticContact CD2-CZ2 3.92Å; F167-W293 HydrophobicContact CD2-CZ2 3.92Å; F167-W293 HydrophobicContact CE2-CZ2 4.02Å
168G93.6Very high90Very high0 Ų038 Ų380%023%0.234CC..  trans56.4-142.616900000114.8I145 Q148 V178 Y180I145-G168 WeakPolarHBondContact CG2-O 3.43Å; Q148-G168 WeakPolarHBondContact CG-O 2.94Å; G168-V178 WeakPolarHBondContact CA-O 3.43Å; G168-Y180 PolarHBondContact N-O 3.35Å
169G90.1Very high90.3Very high0 Ų033.6 Ų33.60%021%0.205CC..  trans96.6-169.5-169.600000112A146 C177 V178 R209A146-G169 CarbonylContact O-C 3.6Å; A146-G169 WeakPolarHBondContact O-CA 3.32Å; G169-C177 CarbonylContact O-C 3.54Å; G169-C177 WeakPolarHBondContact O-CA 3.32Å; G169-V178 PolarHBondContact O-N 2.88Å; G169-R209 PolarHBondContact N-O 2.86Å
170M87Confident90.6Very high22 Ų2234.9 Ų34.911%0.10820%0.197CC..EExtended strand (participates in β ladder)trans-111.3119.8-178.6-175.1-164.8-53.200110.3I145 A146 Q172 L176 S231 L233I145-M170 WeakPolarHBondContact CG2-O 3.46Å; A146-M170 HydrophobicContact CB-CB 4.33Å; A146-M170 PolarHBondContact N-O 2.89Å; A146-M170 PolarHBondContact O-N 3.49Å; M170-Q172 PolarHBondContact O-N 2.92Å; M170-L176 WeakPolarHBondContact CA-O 3.31Å; M170-S231 WeakPolarHBondContact CE-OG 3.43Å; M170-S231 PolarHBondContact SD-OG 2.88Å; M170-L233 HydrophobicContact SD-CD1 3.89Å; M170-L233 HydrophobicContact SD-CG 4.37Å
171C87.1Confident90.7Very high13 Ų1334.5 Ų34.59%0.08820%0.195CC..EExtended strand (participates in β ladder)trans-82.4114.4176.2-1770000109.1S173 L174 G175 L176 V178C171-S173 VanDerWaalsContact C-N 3.29Å; C171-S173 PolarHBondContact O-N 3.23Å; C171-S173 PolarHBondContact SG-OG 2.84Å; C171-L174 HydrophobicContact CB-CB 4.1Å; C171-L174 HydrophobicContact CB-CD1 4.09Å; C171-L174 HydrophobicContact CB-CG 4.23Å; C171-L174 PolarHBondContact O-N 3.37Å; C171-L174 VanDerWaalsContact O-N 3.15Å; C171-G175 PolarHBondContact O-N 2.85Å; C171-L176 PolarHBondContact N-O 3.42Å; C171-V178 HydrophobicContact CB-CG1 3.55Å; C171-V178 HydrophobicContact CB-CG2 4.23Å
172Q78.2Confident90.7Very high141 Ų14133.8 Ų33.866%0.65919%0.19SC*.THydrogen-bonded Turntrans-63.7-34.2-174.1-172174.2500112.8M170 L174M170-Q172 PolarHBondContact O-N 2.92Å; Q172-L174 VanDerWaalsContact C-N 3.32Å
173S79.8Confident90.7Very high111 Ų11133.5 Ų33.578%0.77619%0.188SC*.THydrogen-bonded Turntrans-70.1-29.8177.655.80000112.8C171C171-S173 VanDerWaalsContact C-N 3.29Å; C171-S173 PolarHBondContact O-N 3.23Å; C171-S173 PolarHBondContact SG-OG 2.84Å
174L81.5Confident90.8Very high95 Ų9533.4 Ų33.450%0.49719%0.188SC..THydrogen-bonded Turntrans-92.7-21.4179-60.9176.8000112.6C171 Q172 L176 V178C171-L174 HydrophobicContact CB-CB 4.1Å; C171-L174 HydrophobicContact CB-CD1 4.09Å; C171-L174 HydrophobicContact CB-CG 4.23Å; C171-L174 PolarHBondContact O-N 3.37Å; C171-L174 VanDerWaalsContact O-N 3.15Å; Q172-L174 VanDerWaalsContact C-N 3.32Å; L174-L176 WeakPolarHBondContact O-CG 3.07Å; L174-L176 PolarHBondContact O-N 3.14Å; L174-V178 HydrophobicContact CD1-CG1 4.03Å
175G81.4Confident90.7Very high39 Ų3933.2 Ų33.240%0.40219%0.186SC..THydrogen-bonded Turntrans68.811.6-175.200000114.2C171C171-G175 PolarHBondContact O-N 2.85Å
176L87.9Confident90.7Very high115 Ų11533.3 Ų33.360%0.60219%0.187SC*.EExtended strand (participates in β ladder)trans-125.6156.9-170.7-65.1171.2000111.6M170 C171 L174M170-L176 WeakPolarHBondContact CA-O 3.31Å; C171-L176 PolarHBondContact N-O 3.42Å; L174-L176 WeakPolarHBondContact O-CG 3.07Å; L174-L176 PolarHBondContact O-N 3.14Å
177C89.7Confident90.6Very high19 Ų1938.6 Ų38.613%0.12821%0.212CC..EExtended strand (participates in β ladder)trans-69.7126.4167.4-69.40000109.6G169 C210 L229G169-C177 CarbonylContact O-C 3.54Å; G169-C177 WeakPolarHBondContact O-CA 3.32Å; C177-C210 VanDerWaalsContact SG-SG 3.61Å; C177-L229 WeakPolarHBondContact CB-O 3.47Å
178V90.8Very high90.5Very high10 Ų1042.2 Ų42.26%0.06123%0.231CC..  trans-107.7161.3-179.7-650000110.6I145 G168 G169 C171 L174 Y180 G208 R209I145-V178 HydrophobicContact CD1-CG2 4.19Å; I145-V178 HydrophobicContact CG2-CG2 4.09Å; G168-V178 WeakPolarHBondContact CA-O 3.43Å; G169-V178 PolarHBondContact O-N 2.88Å; C171-V178 HydrophobicContact CB-CG1 3.55Å; C171-V178 HydrophobicContact CB-CG2 4.23Å; L174-V178 HydrophobicContact CD1-CG1 4.03Å; V178-Y180 HydrophobicContact CB-CD1 3.99Å; V178-Y180 HydrophobicContact CB-CD2 4.19Å; V178-Y180 HydrophobicContact CB-CE1 4.15Å; V178-Y180 HydrophobicContact CB-CE2 4.31Å; V178-Y180 HydrophobicContact CB-CG 4.02Å; V178-Y180 HydrophobicContact CG1-CE1 4.27Å; V178-Y180 HydrophobicContact CG1-CE2 4.18Å; V178-Y180 HydrophobicContact CG2-CD1 4.4Å; V178-Y180 HydrophobicContact CG2-CD2 3.86Å; V178-Y180 HydrophobicContact CG2-CE2 4.28Å; V178-Y180 HydrophobicContact CG2-CG 3.91Å; V178-G208 CarbonylContact O-C 3.51Å; V178-G208 WeakPolarHBondContact O-CA 3.33Å; V178-R209 PolarHBondContact O-N 3.07Å; V178-R209 VanDerWaalsContact O-N 3.16Å
179N91.9Very high90.6Very high47 Ų4742.6 Ų42.625%0.25124%0.235SC..  trans-10928.517462-20.1000111.5F167 L181 W205F167-N179 HydrophobicContact CE2-CB 3.99Å; F167-N179 HydrophobicContact CZ-CB 4.02Å; N179-L181 PolarHBondContact O-N 2.83Å; N179-W205 PolarHBondContact ND2-NE1 3.09Å
180Y93.2Very high90.9Very high72 Ų7244.1 Ų44.128%0.28225%0.246SC..  trans-62.2133.9-178.8-64.7-10.2000110.8I145 F167 G168 V178 F182 T195I145-Y180 HydrophobicContact CD1-CD2 3.61Å; I145-Y180 HydrophobicContact CD1-CG 4.28Å; F167-Y180 CarbonylContact C-O 3.55Å; F167-Y180 VanDerWaalsContact CA-O 3.31Å; F167-Y180 WeakPolarHBondContact CA-O 3.16Å; G168-Y180 PolarHBondContact N-O 3.35Å; V178-Y180 HydrophobicContact CB-CD1 3.99Å; V178-Y180 HydrophobicContact CB-CD2 4.19Å; V178-Y180 HydrophobicContact CB-CE1 4.15Å; V178-Y180 HydrophobicContact CB-CE2 4.31Å; V178-Y180 HydrophobicContact CB-CG 4.02Å; V178-Y180 HydrophobicContact CG1-CE1 4.27Å; V178-Y180 HydrophobicContact CG1-CE2 4.18Å; V178-Y180 HydrophobicContact CG2-CD1 4.4Å; V178-Y180 HydrophobicContact CG2-CD2 3.86Å; V178-Y180 HydrophobicContact CG2-CE2 4.28Å; V178-Y180 HydrophobicContact CG2-CG 3.91Å; Y180-F182 HydrophobicContact CD2-CZ 4.02Å; Y180-F182 HydrophobicContact CG-CZ 4.26Å; Y180-T195 VanDerWaalsContact CA-OG1 3.26Å; Y180-T195 WeakPolarHBondContact CA-OG1 3.28Å; Y180-T195 HydrophobicContact CD1-CG2 3.9Å; Y180-T195 HydrophobicContact CE1-CG2 4.39Å
181L94.8Very high91.4Very high2 Ų243.5 Ų43.51%0.0124%0.242CC..EExtended strand (participates in β ladder)trans-121.6109.7-178.5179.761000108.9V165 L166 F167 N179 L194 T195 L275 W293 I526V165-L181 HydrophobicContact CG1-CD1 3.59Å; L166-L181 WeakPolarHBondContact O-CA 3.38Å; L166-L181 WeakPolarHBondContact O-CD1 3.44Å; F167-L181 HydrophobicContact CB-CD1 4.4Å; F167-L181 HydrophobicContact CD2-CB 4.46Å; F167-L181 HydrophobicContact CD2-CD1 4.41Å; N179-L181 PolarHBondContact O-N 2.83Å; L181-L194 HydrophobicContact CB-CB 4.31Å; L181-L194 HydrophobicContact CD2-CB 3.89Å; L181-L194 HydrophobicContact CD2-CD1 3.81Å; L181-L194 HydrophobicContact CD2-CG 4.49Å; L181-L194 HydrophobicContact CG-CB 4.06Å; L181-L194 HydrophobicContact CG-CD1 4.19Å; L181-L194 PolarHBondContact O-N 3.42Å; L181-T195 PolarHBondContact N-OG1 3.2Å; L181-L275 HydrophobicContact CD1-CD2 3.82Å; L181-L275 HydrophobicContact CD2-CD1 4.08Å; L181-L275 HydrophobicContact CD2-CD2 3.89Å; L181-W293 HydrophobicContact CD2-CZ2 4.36Å; L181-I526 HydrophobicContact CD2-CD1 3.55Å
182F95.9Very high91.8Very high6 Ų643.3 Ų43.33%0.02624%0.24CC..EExtended strand (participates in β ladder)trans-113.1141.5176.8-51.5-41.6000110.4P142 P143 I145 L166 Y180 W191 I192P142-F182 HydrophobicContact CB-CD2 3.63Å; P142-F182 HydrophobicContact CB-CE2 3.97Å; P142-F182 HydrophobicContact CB-CG 4.13Å; P143-F182 HydrophobicContact CG-CE2 4.5Å; P143-F182 HydrophobicContact CG-CZ 4.06Å; I145-F182 HydrophobicContact CD1-CE2 3.61Å; I145-F182 HydrophobicContact CD1-CZ 4.1Å; L166-F182 HydrophobicContact CB-CB 4.33Å; L166-F182 PolarHBondContact N-O 3.17Å; L166-F182 PolarHBondContact O-N 2.79Å; Y180-F182 HydrophobicContact CD2-CZ 4.02Å; Y180-F182 HydrophobicContact CG-CZ 4.26Å; F182-W191 HydrophobicContact CB-CE3 4.48Å; F182-W191 HydrophobicContact CD1-CE3 4.31Å; F182-W191 AromaticContact CD1-CZ3 3.92Å; F182-W191 HydrophobicContact CD1-CZ3 3.92Å; F182-W191 HydrophobicContact CE1-CZ3 4.19Å; F182-W191 HydrophobicContact CG-CE3 4.47Å; F182-W191 HydrophobicContact CG-CZ3 4.43Å; F182-I192 WeakPolarHBondContact CA-O 3.44Å
183V97.2Very high92.6Very high0 Ų038.9 Ų38.90%023%0.225CC..EExtended strand (participates in β ladder)trans-121.5117173.6-176.10000108V163 V165 W191 I192 L194 W286 W291V163-V183 HydrophobicContact CB-CG1 3.72Å; V163-V183 HydrophobicContact CG1-CG1 3.89Å; V163-V183 HydrophobicContact CG2-CG1 4.06Å; V165-V183 HydrophobicContact CG2-CG2 4.48Å; V183-W191 CarbonylContact O-C 3.55Å; V183-W191 WeakPolarHBondContact O-CA 3.35Å; V183-W191 WeakPolarHBondContact O-CB 3.1Å; V183-I192 HydrophobicContact CB-CD1 4.39Å; V183-I192 HydrophobicContact CB-CG1 3.85Å; V183-I192 HydrophobicContact CG2-CG1 4.48Å; V183-I192 PolarHBondContact N-O 2.66Å; V183-I192 PolarHBondContact O-N 2.8Å; V183-L194 HydrophobicContact CG2-CD1 3.66Å; V183-L194 HydrophobicContact CG2-CG 4.31Å; V183-W286 HydrophobicContact CG1-CZ3 4.04Å; V183-W291 HydrophobicContact CG1-CZ2 4.08Å; V183-W291 HydrophobicContact CG2-CH2 4.35Å; V183-W291 HydrophobicContact CG2-CZ2 3.98Å
184I97.8Very high93.1Very high0 Ų034 Ų340%019%0.19CC..EExtended strand (participates in β ladder)trans-100.9131.1176.1-57.9174.2000107.9Y93 L131 P142 V163 L164 L166 P186 W191Y93-I184 HydrophobicContact CD1-CD1 4.03Å; Y93-I184 HydrophobicContact CD2-CD1 3.58Å; Y93-I184 HydrophobicContact CE1-CD1 3.99Å; Y93-I184 HydrophobicContact CE2-CD1 3.53Å; Y93-I184 HydrophobicContact CG-CD1 3.82Å; L131-I184 HydrophobicContact CD1-CD1 4.33Å; L131-I184 HydrophobicContact CD2-CG2 3.81Å; P142-I184 HydrophobicContact CG-CD1 4.07Å; P142-I184 HydrophobicContact CG-CG1 4.23Å; V163-I184 CarbonylContact C-O 3.59Å; V163-I184 VanDerWaalsContact CA-O 3.25Å; V163-I184 WeakPolarHBondContact CA-O 3.03Å; V163-I184 WeakPolarHBondContact CB-O 3.39Å; L164-I184 HydrophobicContact CB-CB 4.28Å; L164-I184 HydrophobicContact CD2-CD1 4.31Å; L164-I184 PolarHBondContact N-O 3.15Å; L164-I184 PolarHBondContact O-N 2.8Å; L166-I184 HydrophobicContact CD1-CD1 3.7Å; L166-I184 HydrophobicContact CD1-CG1 4.39Å; I184-P186 HydrophobicContact CG2-CG 4.37Å; I184-P186 WeakPolarHBondContact O-CD 3.26Å; I184-W191 HydrophobicContact CB-CB 4.34Å; I184-W191 HydrophobicContact CG1-CB 3.83Å
185S96.8Very high93Very high0 Ų030.9 Ų30.90%018%0.175CC..EExtended strand (participates in β ladder)trans-100.699.4165.2-179.70000108.4E187 N188 G189 C190S185-E187 VanDerWaalsContact C-N 3.32Å; S185-E187 PolarHBondContact O-N 2.87Å; S185-N188 PolarHBondContact O-N 2.92Å; S185-N188 WeakPolarHBondContact OG-CB 3.05Å; S185-N188 PolarHBondContact OG-ND2 2.79Å; S185-G189 PolarHBondContact O-N 2.92Å; S185-C190 PolarHBondContact N-O 2.74Å; S185-C190 PolarHBondContact O-N 3.05Å
186P97.3Very high91.9Very high2 Ų232 Ų321%0.01317%0.171CC..THydrogen-bonded Turntrans-66.8-34.5-172.4-21.134.3000113.1I86 Y91 L116 F152 I184 N188 G189I86-P186 HydrophobicContact CD1-CB 4.12Å; I86-P186 HydrophobicContact CD1-CG 4.29Å; Y91-P186 HydrophobicContact CD1-CB 3.45Å; Y91-P186 VanDerWaalsContact CD1-CB 3.45Å; Y91-P186 HydrophobicContact CD2-CB 4Å; Y91-P186 HydrophobicContact CE1-CB 3.65Å; Y91-P186 HydrophobicContact CE2-CB 4.2Å; Y91-P186 HydrophobicContact CG-CB 3.61Å; Y91-P186 HydrophobicContact CG-CG 4.46Å; L116-P186 HydrophobicContact CD2-CB 4.03Å; F152-P186 HydrophobicContact CE2-CG 4.06Å; I184-P186 HydrophobicContact CG2-CG 4.37Å; I184-P186 WeakPolarHBondContact O-CD 3.26Å; P186-N188 VanDerWaalsContact C-N 3.33Å; P186-G189 PolarHBondContact O-N 3.16Å
187E94.7Very high90.1Very high113 Ų11332.7 Ų32.753%0.52818%0.181SC..THydrogen-bonded Turntrans-65.2-37.1177.5-173.7171.2-164.900111.9I86 S185I86-E187 HydrophobicContact CD1-CB 4.07Å; S185-E187 VanDerWaalsContact C-N 3.32Å; S185-E187 PolarHBondContact O-N 2.87Å
188N94.1Very high88.1Confident80 Ų8035.4 Ų35.443%0.42820%0.197SC..THydrogen-bonded Turntrans-86.2-11.6178.8-65.9-30.9000113.2S185 P186 C190 W286S185-N188 PolarHBondContact O-N 2.92Å; S185-N188 WeakPolarHBondContact OG-CB 3.05Å; S185-N188 PolarHBondContact OG-ND2 2.79Å; P186-N188 VanDerWaalsContact C-N 3.33Å; N188-C190 HydrophobicContact CB-CB 4.37Å; N188-C190 PolarHBondContact O-N 2.95Å; N188-C190 PolarHBondContact O-SG 2.82Å; N188-C190 VanDerWaalsContact O-SG 3.4Å; N188-W286 PolarHBondContact ND2-NE1 2.86Å; N188-W286 VanDerWaalsContact ND2-NE1 3.12Å
189G96Very high85.9Confident8 Ų842.2 Ų42.28%0.08223%0.233CC..THydrogen-bonded Turntrans62.826.2-173.100000113.1L131 Y132 S185 P186L131-G189 CarbonylContact C-O 3.54Å; L131-G189 VanDerWaalsContact CA-O 3.32Å; L131-G189 WeakPolarHBondContact CA-O 3.45Å; Y132-G189 PolarHBondContact N-O 2.82Å; S185-G189 PolarHBondContact O-N 2.92Å; P186-G189 PolarHBondContact O-N 3.16Å
190C96.8Very high83.6Confident32 Ų3247 Ų4722%0.21626%0.259CS..EExtended strand (participates in β ladder)trans-124.5156.7-174.5-68.40000111.8Y132 V134 S185 N188 W286Y132-C190 CarbonylContact O-C 3.51Å; Y132-C190 WeakPolarHBondContact O-CA 3.43Å; V134-C190 HydrophobicContact CG2-CB 4.27Å; S185-C190 PolarHBondContact N-O 2.74Å; S185-C190 PolarHBondContact O-N 3.05Å; N188-C190 HydrophobicContact CB-CB 4.37Å; N188-C190 PolarHBondContact O-N 2.95Å; N188-C190 PolarHBondContact O-SG 2.82Å; N188-C190 VanDerWaalsContact O-SG 3.4Å; C190-W286 HydrophobicContact CB-CZ2 3.96Å
191W97.4Very high81.2Confident8 Ų846.5 Ų46.53%0.0327%0.265CS..EExtended strand (participates in β ladder)trans-142.2159.2173.170.9-81.2000112.3Y132 E133 V134 V140 P142 F182 V183 I184Y132-W191 VanDerWaalsContact C-CD1 3.46Å; Y132-W191 PolarHBondContact O-N 3.27Å; E133-W191 WeakPolarHBondContact CA-O 3.07Å; E133-W191 HydrophobicContact CB-CD2 4.48Å; E133-W191 HydrophobicContact CB-CH2 4.41Å; E133-W191 HydrophobicContact CB-CZ2 3.67Å; E133-W191 HydrophobicContact CG-CH2 4.1Å; E133-W191 HydrophobicContact CG-CZ2 3.86Å; V134-W191 PolarHBondContact N-O 2.9Å; V140-W191 PolarHBondContact O-NE1 2.98Å; P142-W191 HydrophobicContact CB-CD2 4.15Å; P142-W191 HydrophobicContact CB-CE3 4.07Å; P142-W191 HydrophobicContact CB-CH2 4.49Å; P142-W191 HydrophobicContact CB-CZ3 4.25Å; P142-W191 HydrophobicContact CG-CB 4.26Å; P142-W191 HydrophobicContact CG-CD2 3.57Å; P142-W191 HydrophobicContact CG-CE3 3.88Å; P142-W191 HydrophobicContact CG-CG 3.72Å; F182-W191 HydrophobicContact CB-CE3 4.48Å; F182-W191 HydrophobicContact CD1-CE3 4.31Å; F182-W191 AromaticContact CD1-CZ3 3.92Å; F182-W191 HydrophobicContact CD1-CZ3 3.92Å; F182-W191 HydrophobicContact CE1-CZ3 4.19Å; F182-W191 HydrophobicContact CG-CE3 4.47Å; F182-W191 HydrophobicContact CG-CZ3 4.43Å; V183-W191 CarbonylContact O-C 3.55Å; V183-W191 WeakPolarHBondContact O-CA 3.35Å; V183-W191 WeakPolarHBondContact O-CB 3.1Å; I184-W191 HydrophobicContact CB-CB 4.34Å; I184-W191 HydrophobicContact CG1-CB 3.83Å
192I95.5Very high78.9Confident9 Ų956 Ų565%0.04631%0.309CS..EExtended strand (participates in β ladder)trans-130.5148.6173.858.2176.2000111.5V134 F182 V183 L194 W286 F287V134-I192 HydrophobicContact CB-CG2 3.6Å; V134-I192 HydrophobicContact CG1-CG2 4.41Å; V134-I192 HydrophobicContact CG2-CG2 3.25Å; F182-I192 WeakPolarHBondContact CA-O 3.44Å; V183-I192 HydrophobicContact CB-CD1 4.39Å; V183-I192 HydrophobicContact CB-CG1 3.85Å; V183-I192 HydrophobicContact CG2-CG1 4.48Å; V183-I192 PolarHBondContact N-O 2.66Å; V183-I192 PolarHBondContact O-N 2.8Å; I192-L194 HydrophobicContact CD1-CD2 3.8Å; I192-L194 HydrophobicContact CD1-CG 4.26Å; I192-L194 HydrophobicContact CG1-CD2 4.46Å; I192-L194 HydrophobicContact CG1-CG 4.5Å; I192-W286 HydrophobicContact CD1-CZ3 4.18Å; I192-W286 HydrophobicContact CG1-CH2 4.45Å; I192-W286 HydrophobicContact CG1-CZ3 4.18Å; I192-W286 HydrophobicContact CG2-CH2 4.3Å; I192-F287 HydrophobicContact CD1-CB 4.07Å; I192-F287 HydrophobicContact CG2-CB 3.72Å
193S93.8Very high77.1Confident49 Ų4958.4 Ų58.434%0.34334%0.336SS..EExtended strand (participates in β ladder)trans-91.7131.8161.6-167.40000109.9T195S193-T195 PolarHBondContact OG-N 2.82Å
194L90.2Very high75.8Confident9 Ų962.4 Ų62.45%0.04736%0.358CS..  trans-104.40.1172.1-65.5178000111.9L181 V183 I192 D196 W291 K525 I526L181-L194 HydrophobicContact CB-CB 4.31Å; L181-L194 HydrophobicContact CD2-CB 3.89Å; L181-L194 HydrophobicContact CD2-CD1 3.81Å; L181-L194 HydrophobicContact CD2-CG 4.49Å; L181-L194 HydrophobicContact CG-CB 4.06Å; L181-L194 HydrophobicContact CG-CD1 4.19Å; L181-L194 PolarHBondContact O-N 3.42Å; V183-L194 HydrophobicContact CG2-CD1 3.66Å; V183-L194 HydrophobicContact CG2-CG 4.31Å; I192-L194 HydrophobicContact CD1-CD2 3.8Å; I192-L194 HydrophobicContact CD1-CG 4.26Å; I192-L194 HydrophobicContact CG1-CD2 4.46Å; I192-L194 HydrophobicContact CG1-CG 4.5Å; L194-D196 PolarHBondContact O-N 3.38Å; L194-W291 HydrophobicContact CD1-CB 4.06Å; L194-W291 HydrophobicContact CD1-CD2 3.92Å; L194-W291 HydrophobicContact CD1-CG 3.56Å; L194-K525 HydrophobicContact CD2-CB 3.85Å; L194-K525 HydrophobicContact CD2-CD 4.18Å; L194-I526 HydrophobicContact CB-CD1 4.45Å; L194-I526 WeakPolarHBondContact O-CG2 3.3Å
195T79.1Confident75.1Confident29 Ų2965.8 Ų65.818%0.17837%0.37CS..  trans-74.2117.3178.1-54.80000109.6Y180 L181 S193 T197Y180-T195 VanDerWaalsContact CA-OG1 3.26Å; Y180-T195 WeakPolarHBondContact CA-OG1 3.28Å; Y180-T195 HydrophobicContact CD1-CG2 3.9Å; Y180-T195 HydrophobicContact CE1-CG2 4.39Å; L181-T195 PolarHBondContact N-OG1 3.2Å; S193-T195 PolarHBondContact OG-N 2.82Å; T195-T197 PolarHBondContact O-N 3.01Å
196D59.5Low74.9Confident61 Ų6165.9 Ų65.933%0.32637%0.371SS..  trans-71.8115.9169-157.2-27.1000108.5L194 T198L194-D196 PolarHBondContact O-N 3.38Å; D196-T198 PolarHBondContact O-N 3.47Å; D196-T198 WeakPolarHBondContact OD1-CB 3.42Å; D196-T198 WeakPolarHBondContact OD1-CG2 3.33Å; D196-T198 PolarHBondContact OD1-N 2.77Å; D196-T198 PolarHBondContact OD1-OG1 3.4Å; D196-T198 PolarHBondContact OD2-OG1 3.35Å
197T50.6Low74.5Confident131 Ų13168 Ų6880%0.80439%0.386SS*.  trans-72.8-5.5175.249.80000112.2T195 D199T195-T197 PolarHBondContact O-N 3.01Å; T197-D199 PolarHBondContact O-N 3.43Å; T197-D199 VanDerWaalsContact O-N 3.1Å
198T46.7Very low74.3Confident76 Ų7663.3 Ų63.347%0.46637%0.368SS..  trans-74.6101.9174.263.30000109.2D196 N200D196-T198 PolarHBondContact O-N 3.47Å; D196-T198 WeakPolarHBondContact OD1-CB 3.42Å; D196-T198 WeakPolarHBondContact OD1-CG2 3.33Å; D196-T198 PolarHBondContact OD1-N 2.77Å; D196-T198 PolarHBondContact OD1-OG1 3.4Å; D196-T198 PolarHBondContact OD2-OG1 3.35Å; T198-N200 PolarHBondContact O-N 2.82Å
199D45.1Very low74.1Confident153 Ų15359.5 Ų59.582%0.81835%0.348SS*.THydrogen-bonded Turntrans-5815.7-176-115.2-17.7000116T197T197-D199 PolarHBondContact O-N 3.43Å; T197-D199 VanDerWaalsContact O-N 3.1Å
200N42.8Very low73.8Confident147 Ų14759.7 Ų59.779%0.78635%0.347SS*.THydrogen-bonded Turntrans-100.30.9-162.7-84.2-5.8000116.5T198T198-N200 PolarHBondContact O-N 2.82Å
201C42.8Very low73.2Confident62 Ų6260 Ų6042%0.41936%0.355SS..  trans-127.684173.4-39.70000111.7G203 W205C201-G203 PolarHBondContact O-N 3.33Å; C201-G203 VanDerWaalsContact O-N 3.1Å; C201-W205 HydrophobicContact CB-CH2 3.35Å; C201-W205 HydrophobicContact CB-CZ2 3.84Å; C201-W205 HydrophobicContact CB-CZ3 3.75Å; C201-W205 VanDerWaalsContact O-CE2 3.22Å; C201-W205 WeakPolarHBondContact O-CZ2 3.45Å
202Q47.7Very low72.8Confident200 Ų20059.9 Ų59.994%0.93536%0.355SS*.  trans-71.915.4167.1-83.2-172.42.400114
203G56.8Low72.6Confident57 Ų5759.7 Ų59.759%0.58836%0.355SS*.SBendtrans-101-50.3-168.300000117.1C201C201-G203 PolarHBondContact O-N 3.33Å; C201-G203 VanDerWaalsContact O-N 3.1Å
204D70.3Confident72.6Confident85 Ų8558.1 Ų58.146%0.45534%0.343SS..SBendtrans-119.43.4-149-59.9-33000116W273 F528D204-W273 WeakPolarHBondContact O-CH2 3.4Å; D204-W273 WeakPolarHBondContact O-CZ3 3.45Å; D204-F528 HydrophobicContact CB-CB 3.63Å; D204-F528 HydrophobicContact CB-CD1 4.14Å; D204-F528 HydrophobicContact CB-CD2 4.17Å; D204-F528 HydrophobicContact CB-CG 3.73Å; D204-F528 WeakPolarHBondContact O-CD2 3.42Å
205W83.8Confident72.8Confident71 Ų7158.1 Ų58.127%0.26934%0.344SS..SBendtrans-127162.1179.249.669.3000112.4N179 C201 S207N179-W205 PolarHBondContact ND2-NE1 3.09Å; C201-W205 HydrophobicContact CB-CH2 3.35Å; C201-W205 HydrophobicContact CB-CZ2 3.84Å; C201-W205 HydrophobicContact CB-CZ3 3.75Å; C201-W205 VanDerWaalsContact O-CE2 3.22Å; C201-W205 WeakPolarHBondContact O-CZ2 3.45Å; W205-S207 PolarHBondContact O-N 2.91Å
206P91.2Very high73.6Confident1 Ų158.1 Ų58.11%0.00635%0.347CS..PPolyproline II helixtrans-56.8128.5177.920.5-33000111.6F167 L224 W273 W293F167-P206 HydrophobicContact CE1-CB 4.31Å; F167-P206 HydrophobicContact CE1-CG 4.5Å; F167-P206 HydrophobicContact CE2-CG 4.01Å; F167-P206 HydrophobicContact CZ-CB 3.76Å; F167-P206 HydrophobicContact CZ-CG 3.74Å; P206-L224 HydrophobicContact CB-CD2 3.65Å; P206-L224 HydrophobicContact CG-CD2 3.87Å; P206-W273 HydrophobicContact CB-CD2 4.24Å; P206-W273 HydrophobicContact CB-CG 4.07Å; P206-W273 HydrophobicContact CG-CD2 4.33Å; P206-W273 HydrophobicContact CG-CG 4.26Å; P206-W293 HydrophobicContact CG-CD2 3.75Å; P206-W293 HydrophobicContact CG-CE3 3.95Å; P206-W293 HydrophobicContact CG-CG 4.39Å; P206-W293 HydrophobicContact CG-CH2 3.85Å; P206-W293 HydrophobicContact CG-CZ2 3.68Å; P206-W293 HydrophobicContact CG-CZ3 3.97Å
207S89.8Confident75.2Confident47 Ų4755.9 Ų55.933%0.32933%0.334SS..PPolyproline II helixtrans-61.6156.7173.450.70000112.3W205 R209 L229W205-S207 PolarHBondContact O-N 2.91Å; S207-R209 PolarHBondContact O-N 2.89Å; S207-R209 PolarHBondContact O-NE 2.9Å; S207-R209 PolarHBondContact OG-NH2 2.9Å; S207-L229 WeakPolarHBondContact OG-CD2 2.97Å
208G89.9Confident77.2Confident15 Ų1551.7 Ų51.716%0.15531%0.307CS..PPolyproline II helixtrans-59.8133.517700000111.6V178V178-G208 CarbonylContact O-C 3.51Å; V178-G208 WeakPolarHBondContact O-CA 3.33Å
209R91.1Very high79.4Confident0 Ų049.5 Ų49.50%030%0.295CS..  trans-158.4150.5-171.162.1-174.672.4-162.3-3.4113.7F167 G169 V178 S207 H212 F226 N228 L229 A269 D271F167-R209 HydrophobicContact CE1-CG 3.79Å; G169-R209 PolarHBondContact N-O 2.86Å; V178-R209 PolarHBondContact O-N 3.07Å; V178-R209 VanDerWaalsContact O-N 3.16Å; S207-R209 PolarHBondContact O-N 2.89Å; S207-R209 PolarHBondContact O-NE 2.9Å; S207-R209 PolarHBondContact OG-NH2 2.9Å; R209-H212 HydrophobicContact CG-CB 4.29Å; R209-H212 PolarHBondContact O-CE1 2.93Å; R209-H212 PolarHBondContact O-ND1 2.74Å; R209-F226 VanDerWaalsContact CD-O 3.24Å; R209-F226 WeakPolarHBondContact CD-O 3.34Å; R209-F226 PolarHBondContact NH1-O 2.85Å; R209-N228 CarbonylContact C-O 3.52Å; R209-N228 WeakPolarHBondContact CA-O 3.4Å; R209-N228 WeakPolarHBondContact CB-O 3.24Å; R209-L229 HydrophobicContact CB-CD2 4.1Å; R209-A269 VanDerWaalsContact NH1-CB 3.31Å; R209-D271 IonicContact CZ-OD1 3.25Å; R209-D271 VanDerWaalsContact CZ-OD1 3.24Å; R209-D271 IonicContact CZ-OD2 3.16Å; R209-D271 IonicContact NH1-OD1 3.66Å; R209-D271 PolarHBondContact NH1-OD1 3.01Å; R209-D271 IonicContact NH1-OD2 3.45Å; R209-D271 VanDerWaalsContact NH2-CG 3.29Å; R209-D271 IonicContact NH2-OD1 2.86Å; R209-D271 PolarHBondContact NH2-OD1 2.92Å; R209-D271 IonicContact NH2-OD2 3.15Å; R209-D271 PolarHBondContact NH2-OD2 2.94Å
210C88.4Confident81.7Confident12 Ų1243.5 Ų43.58%0.08126%0.263CS..BIsolated β-bridgetrans-116.9166.1170.266.80000111.8C177 H212 G227 N228C177-C210 VanDerWaalsContact SG-SG 3.61Å; C210-H212 PolarHBondContact O-N 2.77Å; C210-H212 VanDerWaalsContact O-N 3.12Å; C210-G227 CarbonylContact O-C 3.58Å; C210-G227 VanDerWaalsContact O-CA 3.31Å; C210-G227 WeakPolarHBondContact O-CA 3.31Å; C210-N228 PolarHBondContact N-O 3.17Å; C210-N228 PolarHBondContact O-N 2.7Å
211G84Confident84.1Confident37 Ų3737.2 Ų37.238%0.38123%0.228SC..SBendtrans67.911.3174.800000115.3
212H90.2Very high86.7Confident7 Ų734.3 Ų34.33%0.03221%0.208CC..  trans-76.7160.3176.958-89.5000111.6S149 F167 R209 C210 L224 F226S149-H212 WeakPolarHBondContact CB-NE2 3.12Å; F167-H212 AromaticContact CD1-NE2 3.79Å; F167-H212 PolarHBondContact O-CE1 2.87Å; F167-H212 PolarHBondContact O-NE2 2.86Å; R209-H212 HydrophobicContact CG-CB 4.29Å; R209-H212 PolarHBondContact O-CE1 2.93Å; R209-H212 PolarHBondContact O-ND1 2.74Å; C210-H212 PolarHBondContact O-N 2.77Å; C210-H212 VanDerWaalsContact O-N 3.12Å; H212-L224 HydrophobicContact CB-CD1 3.91Å; H212-L224 WeakPolarHBondContact CD2-CD1 3.39Å; H212-F226 VanDerWaalsContact CB-O 3.24Å; H212-F226 WeakPolarHBondContact CB-O 3.16Å
213S91.1Very high89Confident5 Ų524.8 Ų24.84%0.03516%0.164CC..EExtended strand (participates in β ladder)trans-101.8146.4176.2-660000111.4L225 A313S213-L225 PolarHBondContact N-O 2.91Å; S213-L225 PolarHBondContact O-N 2.84Å; S213-A313 WeakPolarHBondContact OG-CB 3.39Å; S213-A313 PolarHBondContact OG-O 3.32Å
214T94.5Very high90.8Very high15 Ų1522 Ų229%0.09214%0.136CC..EExtended strand (participates in β ladder)trans-136.9144.4173.956.50000111.3G150 M222 L223 L224G150-T214 VanDerWaalsContact CA-OG1 3.32Å; G150-T214 WeakPolarHBondContact CA-OG1 3.44Å; G150-T214 PolarHBondContact N-OG1 3.15Å; G150-T214 VanDerWaalsContact N-OG1 3.16Å; G150-T214 PolarHBondContact O-OG1 3.4Å; G150-T214 VanDerWaalsContact O-OG1 3.08Å; T214-M222 HydrophobicContact CG2-CE 4.48Å; T214-M222 HydrophobicContact CG2-SD 4Å; T214-L223 WeakPolarHBondContact CA-O 3.38Å; T214-L224 HydrophobicContact CG2-CD1 4.06Å
215C94.4Very high91.8Very high9 Ų918 Ų186%0.06111%0.114CC..EExtended strand (participates in β ladder)trans-146.2155.6168.667.40000111.4C151 M222 L223 A315C151-C215 VanDerWaalsContact SG-C 3.57Å; C215-M222 WeakPolarHBondContact O-CA 3.38Å; C215-L223 PolarHBondContact N-O 3.16Å; C215-L223 VanDerWaalsContact N-O 3.17Å; C215-L223 PolarHBondContact O-N 3.01Å; C215-A315 HydrophobicContact CB-CB 4.2Å; C215-A315 VanDerWaalsContact CB-O 3.28Å; C215-A315 WeakPolarHBondContact CB-O 3.3Å
216A95Very high92.1Very high29 Ų2915.3 Ų15.324%0.2410%0.104CC..EExtended strand (participates in β ladder)trans-75.8128.9170.300000108.9L153 S317L153-A216 HydrophobicContact CD2-CB 3.76Å; A216-S317 WeakPolarHBondContact O-CB 3.49Å
217L93.5Very high91.9Very high14 Ų1415.5 Ų15.57%0.07311%0.107CC..SBendtrans-85.9-39.2171.2-66.8-179.7000110.7R221 L223 I274 Y354 V356L217-R221 HydrophobicContact CB-CB 4.03Å; L217-R221 HydrophobicContact CD1-CB 4.38Å; L217-R221 PolarHBondContact N-O 2.98Å; L217-L223 HydrophobicContact CD1-CB 4.11Å; L217-L223 HydrophobicContact CD1-CD1 4.4Å; L217-L223 HydrophobicContact CD2-CB 3.98Å; L217-L223 HydrophobicContact CD2-CD2 4.22Å; L217-L223 HydrophobicContact CG-CB 3.91Å; L217-I274 HydrophobicContact CD1-CD1 4.12Å; L217-I274 HydrophobicContact CD1-CG1 4.01Å; L217-I274 HydrophobicContact CD1-CG2 4.22Å; L217-Y354 HydrophobicContact CB-CD1 3.83Å; L217-Y354 HydrophobicContact CB-CE1 3.72Å; L217-Y354 HydrophobicContact CB-CE2 4.49Å; L217-Y354 HydrophobicContact CB-CG 4.25Å; L217-Y354 HydrophobicContact CD1-CD2 4.03Å; L217-Y354 HydrophobicContact CD1-CE2 4.14Å; L217-Y354 HydrophobicContact CD1-CG 4.3Å; L217-Y354 HydrophobicContact CD2-CD1 4.24Å; L217-Y354 HydrophobicContact CD2-CG 4.03Å; L217-Y354 HydrophobicContact CG-CD1 4.47Å; L217-Y354 HydrophobicContact CG-CG 4.43Å; L217-V356 HydrophobicContact CD2-CG2 3.74Å
218D92.2Very high91.6Very high43 Ų4313.3 Ų13.323%0.239%0.091CC..SBendtrans-156.8-164.2174.556.343.9000109.5N220 R221 Y354D218-N220 PolarHBondContact O-N 2.98Å; D218-N220 WeakPolarHBondContact OD1-CA 3.44Å; D218-N220 PolarHBondContact OD1-N 3.1Å; D218-R221 WeakPolarHBondContact OD1-CB 3.32Å; D218-R221 WeakPolarHBondContact OD1-CG 3.28Å; D218-R221 PolarHBondContact OD1-N 3.4Å; D218-R221 WeakPolarHBondContact OD2-CD 3.4Å; D218-R221 IonicContact OD2-NE 2.84Å; D218-Y354 HydrophobicContact CB-CE1 4.49Å; D218-Y354 PolarHBondContact OD2-OH 2.77Å
219S92.9Very high91.5Very high31 Ų3114.8 Ų14.822%0.21710%0.095CC..SBendtrans-67.1-16.8178.955.40000114.6P154 R277P154-S219 WeakPolarHBondContact O-CB 3.44Å; S219-R277 PolarHBondContact O-NH2 3.2Å
220N92.7Very high91.1Very high26 Ų2619.2 Ų19.214%0.13912%0.116CC..SBendtrans-121.4-6.5-172.1-70.7-30.6000113.1E160 D218 T276 R277E160-N220 PolarHBondContact OE1-ND2 2.69Å; E160-N220 PolarHBondContact OE2-ND2 2.97Å; E160-N220 PolarHBondContact OE2-OD1 3.17Å; D218-N220 PolarHBondContact O-N 2.98Å; D218-N220 WeakPolarHBondContact OD1-CA 3.44Å; D218-N220 PolarHBondContact OD1-N 3.1Å; N220-T276 CarbonylContact O-C 3.45Å; N220-T276 WeakPolarHBondContact O-CA 3.38Å; N220-R277 HydrophobicContact CB-CB 4.39Å; N220-R277 PolarHBondContact O-N 3.28Å; N220-R277 PolarHBondContact OD1-NE 2.84Å; N220-R277 PolarHBondContact OD1-NH2 2.72Å
221R94.7Very high90.4Very high16 Ų1619.1 Ų19.16%0.0612%0.115CC..EExtended strand (participates in β ladder)trans-129.5129.2-171.8-62.7175.8-163.2-79.3-0.8113.2L153 L217 D218 I274 L275 T276 Y354 Y513 H515L153-R221 WeakPolarHBondContact CD2-O 3.21Å; L217-R221 HydrophobicContact CB-CB 4.03Å; L217-R221 HydrophobicContact CD1-CB 4.38Å; L217-R221 PolarHBondContact N-O 2.98Å; D218-R221 WeakPolarHBondContact OD1-CB 3.32Å; D218-R221 WeakPolarHBondContact OD1-CG 3.28Å; D218-R221 PolarHBondContact OD1-N 3.4Å; D218-R221 WeakPolarHBondContact OD2-CD 3.4Å; D218-R221 IonicContact OD2-NE 2.84Å; R221-I274 HydrophobicContact CB-CG2 4.1Å; R221-I274 HydrophobicContact CG-CG2 4.27Å; R221-L275 CarbonylContact C-O 3.56Å; R221-L275 VanDerWaalsContact CA-O 3.24Å; R221-L275 WeakPolarHBondContact CA-O 3.37Å; R221-T276 HydrophobicContact CG-CG2 4.12Å; R221-T276 VanDerWaalsContact CZ-CG2 3.5Å; R221-T276 PolarHBondContact NH1-OG1 3.5Å; R221-Y354 WeakPolarHBondContact CD-OH 3.37Å; R221-Y513 PolarHBondContact NH1-OH 3.08Å; R221-H515 PolarHBondContact NH2-CD2 2.89Å; R221-H515 PolarHBondContact NH2-NE2 3.15Å
222M96.5Very high89.4Confident0 Ų020.2 Ų20.20%012%0.116CC..EExtended strand (participates in β ladder)trans-107.3131.3168.9173.8176.881.200109.6C151 L153 V165 F167 T214 C215 I274 L275 W293C151-M222 WeakPolarHBondContact SG-CG 3.43Å; C151-M222 VanDerWaalsContact SG-SD 3.7Å; L153-M222 HydrophobicContact CD2-CB 4.34Å; V165-M222 HydrophobicContact CB-SD 3.99Å; V165-M222 HydrophobicContact CG1-CE 3.72Å; V165-M222 HydrophobicContact CG1-SD 3.85Å; F167-M222 HydrophobicContact CB-CE 4.21Å; T214-M222 HydrophobicContact CG2-CE 4.48Å; T214-M222 HydrophobicContact CG2-SD 4Å; C215-M222 WeakPolarHBondContact O-CA 3.38Å; M222-I274 CarbonylContact O-C 3.5Å; M222-I274 WeakPolarHBondContact O-CA 3.38Å; M222-L275 HydrophobicContact CB-CB 4.38Å; M222-L275 HydrophobicContact CE-CB 4.33Å; M222-L275 HydrophobicContact CE-CD2 3.93Å; M222-L275 PolarHBondContact N-O 2.9Å; M222-L275 PolarHBondContact O-N 3.38Å; M222-W293 HydrophobicContact CE-CH2 4.12Å
223L96.4Very high87.9Confident0 Ų026.6 Ų26.60%015%0.149CC..EExtended strand (participates in β ladder)trans-88.1138.2166.7-171.368.5000109.9T214 C215 L217 L225 I272 W273 I274 V296 V356 I511T214-L223 WeakPolarHBondContact CA-O 3.38Å; C215-L223 PolarHBondContact N-O 3.16Å; C215-L223 VanDerWaalsContact N-O 3.17Å; C215-L223 PolarHBondContact O-N 3.01Å; L217-L223 HydrophobicContact CD1-CB 4.11Å; L217-L223 HydrophobicContact CD1-CD1 4.4Å; L217-L223 HydrophobicContact CD2-CB 3.98Å; L217-L223 HydrophobicContact CD2-CD2 4.22Å; L217-L223 HydrophobicContact CG-CB 3.91Å; L223-L225 HydrophobicContact CB-CD1 4.33Å; L223-L225 HydrophobicContact CD2-CD1 3.6Å; L223-L225 HydrophobicContact CD2-CD2 3.94Å; L223-L225 HydrophobicContact CD2-CG 3.87Å; L223-L225 HydrophobicContact CG-CD1 3.63Å; L223-L225 HydrophobicContact CG-CG 3.92Å; L223-I272 HydrophobicContact CD1-CG2 3.58Å; L223-I272 HydrophobicContact CG-CG2 4.34Å; L223-W273 CarbonylContact C-O 3.44Å; L223-I274 HydrophobicContact CD1-CG1 3.82Å; L223-V296 HydrophobicContact CD1-CG2 4.49Å; L223-V356 HydrophobicContact CD2-CB 4.27Å; L223-V356 HydrophobicContact CD2-CG1 3.9Å; L223-V356 HydrophobicContact CD2-CG2 3.79Å; L223-I511 HydrophobicContact CD1-CD1 3.67Å; L223-I511 HydrophobicContact CD2-CD1 3.81Å; L223-I511 HydrophobicContact CG-CD1 4.45Å
224L95Very high86Confident0 Ų029.6 Ų29.60%018%0.175CC..EExtended strand (participates in β ladder)trans-119126.1171.7169.967000108.6F167 P206 H212 T214 I272 W273 W293F167-L224 HydrophobicContact CD1-CD1 3.78Å; F167-L224 HydrophobicContact CD1-CD2 3.66Å; F167-L224 HydrophobicContact CD1-CG 4.37Å; F167-L224 HydrophobicContact CE1-CD1 4.13Å; F167-L224 HydrophobicContact CE1-CD2 3.39Å; F167-L224 HydrophobicContact CE1-CG 4.42Å; F167-L224 HydrophobicContact CG-CD2 4.44Å; F167-L224 HydrophobicContact CZ-CD2 4Å; P206-L224 HydrophobicContact CB-CD2 3.65Å; P206-L224 HydrophobicContact CG-CD2 3.87Å; H212-L224 HydrophobicContact CB-CD1 3.91Å; H212-L224 WeakPolarHBondContact CD2-CD1 3.39Å; T214-L224 HydrophobicContact CG2-CD1 4.06Å; L224-I272 WeakPolarHBondContact O-CA 3.45Å; L224-W273 HydrophobicContact CB-CB 4.26Å; L224-W273 HydrophobicContact CD2-CB 4.35Å; L224-W273 PolarHBondContact N-O 3.05Å; L224-W273 PolarHBondContact O-N 3.33Å; L224-W293 HydrophobicContact CB-CH2 4.36Å; L224-W293 HydrophobicContact CB-CZ3 4.12Å; L224-W293 HydrophobicContact CD2-CH2 3.91Å; L224-W293 HydrophobicContact CD2-CZ3 4.07Å
225L91.4Very high83.5Confident0 Ų034.9 Ų34.90%020%0.201CC..EExtended strand (participates in β ladder)trans-127.4131.3-179.8-45.987.6000111.2S213 L223 I272 A315 V358 L509 W537S213-L225 PolarHBondContact N-O 2.91Å; S213-L225 PolarHBondContact O-N 2.84Å; L223-L225 HydrophobicContact CB-CD1 4.33Å; L223-L225 HydrophobicContact CD2-CD1 3.6Å; L223-L225 HydrophobicContact CD2-CD2 3.94Å; L223-L225 HydrophobicContact CD2-CG 3.87Å; L223-L225 HydrophobicContact CG-CD1 3.63Å; L223-L225 HydrophobicContact CG-CG 3.92Å; L225-I272 HydrophobicContact CG-CG2 4.33Å; L225-A315 HydrophobicContact CD1-CB 3.63Å; L225-V358 HydrophobicContact CD2-CG2 3.81Å; L225-L509 HydrophobicContact CD2-CD2 4.4Å; L225-W537 HydrophobicContact CD2-CH2 4.49Å
226F88.7Confident80.8Confident14 Ų1438.9 Ų38.96%0.06122%0.222CC..  trans56.9-147.9166.3-49.8-45000113.9R209 H212 A269 D271 I272 P306 F310 W537R209-F226 VanDerWaalsContact CD-O 3.24Å; R209-F226 WeakPolarHBondContact CD-O 3.34Å; R209-F226 PolarHBondContact NH1-O 2.85Å; H212-F226 VanDerWaalsContact CB-O 3.24Å; H212-F226 WeakPolarHBondContact CB-O 3.16Å; F226-A269 VanDerWaalsContact CA-O 3.23Å; F226-A269 WeakPolarHBondContact CA-O 3.35Å; F226-D271 PolarHBondContact N-O 2.84Å; F226-I272 HydrophobicContact CE1-CD1 4.34Å; F226-I272 HydrophobicContact CE1-CG1 4.16Å; F226-I272 HydrophobicContact CZ-CD1 4.35Å; F226-P306 HydrophobicContact CE2-CB 4.29Å; F226-P306 HydrophobicContact CE2-CG 3.63Å; F226-P306 HydrophobicContact CZ-CB 4.48Å; F226-P306 HydrophobicContact CZ-CG 3.48Å; F226-P306 VanDerWaalsContact CZ-CG 3.48Å; F226-F310 HydrophobicContact CD2-CB 4.31Å; F226-F310 HydrophobicContact CD2-CD1 4.04Å; F226-F310 HydrophobicContact CD2-CG 4.27Å; F226-F310 HydrophobicContact CE2-CD1 4.25Å; F226-W537 HydrophobicContact CE2-CH2 4.18Å; F226-W537 HydrophobicContact CE2-CZ2 4.1Å; F226-W537 HydrophobicContact CZ-CH2 4.13Å; F226-W537 AromaticContact CZ-CZ2 3.58Å; F226-W537 HydrophobicContact CZ-CZ2 3.58Å
227G86.5Confident78.1Confident5 Ų546 Ų465%0.05225%0.25CC..  trans114.9-171.9-176.700000112.8C210 P268 A269C210-G227 CarbonylContact O-C 3.58Å; C210-G227 VanDerWaalsContact O-CA 3.31Å; C210-G227 WeakPolarHBondContact O-CA 3.31Å; G227-P268 CarbonylContact O-C 3.49Å; G227-P268 WeakPolarHBondContact O-CA 3.24Å; G227-A269 PolarHBondContact O-N 2.95Å
228N85.4Confident75.2Confident2 Ų248.2 Ų48.21%0.01127%0.267CS..BIsolated β-bridgetrans-122.6128.2175.9-163.9-17.9000109.6R209 C210 E230 Y264 H265 R267 Y311R209-N228 CarbonylContact C-O 3.52Å; R209-N228 WeakPolarHBondContact CA-O 3.4Å; R209-N228 WeakPolarHBondContact CB-O 3.24Å; C210-N228 PolarHBondContact N-O 3.17Å; C210-N228 PolarHBondContact O-N 2.7Å; N228-E230 VanDerWaalsContact C-N 3.27Å; N228-E230 PolarHBondContact OD1-N 3.42Å; N228-E230 PolarHBondContact OD1-O 2.88Å; N228-Y264 PolarHBondContact ND2-OH 2.8Å; N228-H265 PolarHBondContact ND2-O 2.93Å; N228-R267 VanDerWaalsContact OD1-C 3.28Å; N228-R267 PolarHBondContact OD1-N 3.19Å; N228-R267 PolarHBondContact OD1-O 2.76Å; N228-R267 VanDerWaalsContact OD1-O 3.04Å; N228-Y311 PolarHBondContact ND2-OH 3.44Å; N228-Y311 VanDerWaalsContact ND2-OH 3.09Å
229L86.8Confident72.6Confident45 Ų4550.5 Ų50.524%0.23628%0.282CS..SBendtrans-77.1-19.2179.4-55.3-176000112C177 S207 R209 R267 A269C177-L229 WeakPolarHBondContact CB-O 3.47Å; S207-L229 WeakPolarHBondContact OG-CD2 2.97Å; R209-L229 HydrophobicContact CB-CD2 4.1Å; L229-R267 HydrophobicContact CB-CB 4.32Å; L229-R267 VanDerWaalsContact CB-O 3.29Å; L229-R267 WeakPolarHBondContact CB-O 3.49Å; L229-R267 HydrophobicContact CD1-CG 4.18Å; L229-R267 WeakPolarHBondContact CG-O 3.45Å; L229-R267 PolarHBondContact N-O 3.42Å; L229-A269 HydrophobicContact CD2-CB 3.76Å; L229-A269 HydrophobicContact CG-CB 4.13Å
230E83Confident69.7Low94 Ų9460 Ų6044%0.43931%0.313SS..SBendtrans-109.7145.3179.5-72.7174.4-169.200111.1N228 P232 G266 R267N228-E230 VanDerWaalsContact C-N 3.27Å; N228-E230 PolarHBondContact OD1-N 3.42Å; N228-E230 PolarHBondContact OD1-O 2.88Å; E230-P232 WeakPolarHBondContact O-CD 3.4Å; E230-G266 WeakPolarHBondContact OE2-CA 3.23Å; E230-R267 HydrophobicContact CG-CB 3.97Å
231S72.8Confident67Low9 Ų969.2 Ų69.26%0.06335%0.346CS..  trans-70130.1174.6169.50000109.9M170 L233 A234M170-S231 WeakPolarHBondContact CE-OG 3.43Å; M170-S231 PolarHBondContact SD-OG 2.88Å; S231-L233 PolarHBondContact O-N 2.94Å; S231-L233 VanDerWaalsContact O-N 3.1Å; S231-L233 WeakPolarHBondContact OG-CB 3.29Å; S231-L233 PolarHBondContact OG-N 2.81Å; S231-L233 VanDerWaalsContact OG-N 3.09Å; S231-A234 VanDerWaalsContact O-CB 3.24Å; S231-A234 WeakPolarHBondContact O-CB 3.34Å; S231-A234 PolarHBondContact O-N 2.79Å
232P64Low64.2Low61 Ų6176.2 Ų76.240%0.39638%0.379SS..THydrogen-bonded Turntrans-57.7-21.2169-26.233.7000113.8E230 A234E230-P232 WeakPolarHBondContact O-CD 3.4Å; P232-A234 VanDerWaalsContact C-N 3.31Å
233L58.2Low61.2Low140 Ų14084.5 Ų84.573%0.73342%0.418SS*.THydrogen-bonded Turntrans-81.7-7.7177.1-61177.1000113.1M170 S231 I235M170-L233 HydrophobicContact SD-CD1 3.89Å; M170-L233 HydrophobicContact SD-CG 4.37Å; S231-L233 PolarHBondContact O-N 2.94Å; S231-L233 VanDerWaalsContact O-N 3.1Å; S231-L233 WeakPolarHBondContact OG-CB 3.29Å; S231-L233 PolarHBondContact OG-N 2.81Å; S231-L233 VanDerWaalsContact OG-N 3.09Å; L233-I235 PolarHBondContact O-N 2.82Å
234A50.4Low58.2Low69 Ų6987.7 Ų87.757%0.5745%0.451SS*.  trans-7117.5179.200000113.5S231 P232 D236S231-A234 VanDerWaalsContact O-CB 3.24Å; S231-A234 WeakPolarHBondContact O-CB 3.34Å; S231-A234 PolarHBondContact O-N 2.79Å; P232-A234 VanDerWaalsContact C-N 3.31Å; A234-D236 PolarHBondContact O-N 3.15Å
235I43.3Very low55.1Low126 Ų12695.3 Ų95.365%0.64649%0.488SS*.  trans-58.3109.4176.4-60.6176.4000108.5L233 H237L233-I235 PolarHBondContact O-N 2.82Å; I235-H237 PolarHBondContact O-N 3.02Å; I235-H237 VanDerWaalsContact O-N 3.16Å
236D37.1Very low52.4Low93 Ų93100.3 Ų100.350%0.49752%0.524SS..  trans-58.8104.4-173.1-169.93.2000111.8A234 S238 V239A234-D236 PolarHBondContact O-N 3.15Å; D236-S238 PolarHBondContact O-N 3.32Å; D236-S238 VanDerWaalsContact O-N 3.08Å; D236-S238 WeakPolarHBondContact OD1-CA 3.24Å; D236-S238 WeakPolarHBondContact OD1-CB 3.38Å; D236-S238 PolarHBondContact OD1-N 2.79Å; D236-S238 PolarHBondContact OD1-OG 3.21Å; D236-S238 PolarHBondContact OD2-OG 2.93Å; D236-V239 HydrophobicContact CB-CG2 4.38Å
237H37.6Very low49.8Very low177 Ų177106.4 Ų106.482%0.81956%0.561SS**THydrogen-bonded Turntrans-62.3-6.5169-80.2-61.9000112.9I235I235-H237 PolarHBondContact O-N 3.02Å; I235-H237 VanDerWaalsContact O-N 3.16Å
238S34.4Very low47.2Very low62 Ų62112.7 Ų112.743%0.43459%0.594SS.*THydrogen-bonded Turntrans-76.8-33-18086.40000113.4D236 R240 R241D236-S238 PolarHBondContact O-N 3.32Å; D236-S238 VanDerWaalsContact O-N 3.08Å; D236-S238 WeakPolarHBondContact OD1-CA 3.24Å; D236-S238 WeakPolarHBondContact OD1-CB 3.38Å; D236-S238 PolarHBondContact OD1-N 2.79Å; D236-S238 PolarHBondContact OD1-OG 3.21Å; D236-S238 PolarHBondContact OD2-OG 2.93Å; S238-R240 VanDerWaalsContact C-N 3.28Å; S238-R240 PolarHBondContact O-N 3.43Å; S238-R241 PolarHBondContact O-N 2.99Å; S238-R241 VanDerWaalsContact O-N 3.1Å
239V37.2Very low45.2Very low91 Ų91117.8 Ų117.855%0.55263%0.627SS**Hα-helixtrans-66.8-30.6-175.4-176.80000112D236 R241D236-V239 HydrophobicContact CB-CG2 4.38Å; V239-R241 VanDerWaalsContact C-N 3.31Å; V239-R241 PolarHBondContact O-N 3.12Å
240R31.8Very low42.7Very low229 Ų229123 Ų12386%0.86466%0.655SS**Hα-helixtrans-75.8-15.4178.1-125.3-179.3-174.2-175.12.2114S238S238-R240 VanDerWaalsContact C-N 3.28Å; S238-R240 PolarHBondContact O-N 3.43Å
241R36Very low40.4Very low221 Ų221123.5 Ų123.583%0.83467%0.669SS**Hα-helixtrans-87.4-22.5176.8-85.4-171.3176.3-173.90.6113.8S238 V239S238-R241 PolarHBondContact O-N 2.99Å; S238-R241 VanDerWaalsContact O-N 3.1Å; V239-R241 VanDerWaalsContact C-N 3.31Å; V239-R241 PolarHBondContact O-N 3.12Å
242Q35.9Very low38.4Very low162 Ų162130.4 Ų130.476%0.75771%0.706SS**Hα-helixtrans-83.2-17.6-179.7-73.1-169-3.700114.5G244Q242-G244 PolarHBondContact O-N 3.24Å
243Q33.5Very low37.1Very low175 Ų175134.7 Ų134.782%0.81873%0.725SS**THydrogen-bonded Turntrans-75.73.7173-71.3-172.9-5.300114.2
244G32.8Very low35.8Very low67 Ų67136 Ų13669%0.69173%0.733SS**THydrogen-bonded Turntrans-93.4-2.5175.200000115.7Q242Q242-G244 PolarHBondContact O-N 3.24Å
245M30.7Very low35Very low159 Ų159137.4 Ų137.478%0.78374%0.739SS**SBendtrans-104.9104.8-174.1-65.6-163.477.700112.6
246S33.7Very low34.3Very low106 Ų106140.4 Ų140.474%0.74175%0.75SS**  trans17.7106.9158.662.90000117.7N248S246-N248 PolarHBondContact O-N 3.46Å
247V33.7Very low34Very low141 Ų141140.8 Ų140.886%0.85576%0.76SS**  trans-57.8113.9165-179.70000109.4
248N33Very low33.6Very low138 Ų138138.5 Ų138.574%0.73876%0.758SS**  trans-89.3119.2172.2-1584.6000108.3S246 N250S246-N248 PolarHBondContact O-N 3.46Å; N248-N250 VanDerWaalsContact C-N 3.3Å; N248-N250 PolarHBondContact O-N 2.86Å; N248-N250 VanDerWaalsContact O-N 3.11Å
249P42.3Very low33.6Very low108 Ų108140.6 Ų140.670%0.70177%0.773SS**SBendtrans-77.46-162.5-14.929.9000117.3
250N34.4Very low33.5Very low154 Ų154141.3 Ų141.382%0.82478%0.782SS**  trans-126.450.8-165.3-77.7-10.6000114.9N248N248-N250 VanDerWaalsContact C-N 3.3Å; N248-N250 PolarHBondContact O-N 2.86Å; N248-N250 VanDerWaalsContact O-N 3.11Å
251S34.9Very low33.6Very low106 Ų106135.9 Ų135.974%0.74177%0.774SS**  trans-127.482.4164.763.90000111.1N253S251-N253 PolarHBondContact O-N 3.27Å
252N32.5Very low33.8Very low154 Ų154130.4 Ų130.482%0.82477%0.768SS**  trans-72104.7157.5-75-16.3000107.3
253N35.8Very low34.4Very low150 Ų150130 Ų13080%0.80277%0.771SS**  trans-162.489.5155.8-93-22.4000107.6S251 S255S251-N253 PolarHBondContact O-N 3.27Å; N253-S255 PolarHBondContact O-N 3.05Å
254D31Very low35.2Very low169 Ų169123.6 Ų123.690%0.90474%0.739SS**  trans-64.294.5171.5-64.1-42.4000109.3
255S33Very low36.4Very low98 Ų98127.4 Ų127.469%0.68574%0.739SS**  trans-11697.6153.651.90000106.3N253 S257N253-S255 PolarHBondContact O-N 3.05Å; S255-S257 PolarHBondContact O-N 2.82Å
256E29.3Very low38.2Very low188 Ų188121.3 Ų121.388%0.87972%0.717SS**  trans-62.174.4170.9-72.8-176.7149.100109.3T258E256-T258 VanDerWaalsContact C-N 3.3Å; E256-T258 PolarHBondContact O-N 2.79Å; E256-T258 VanDerWaalsContact O-N 3.07Å
257S30.1Very low40.5Very low102 Ų102123.9 Ų123.971%0.71371%0.71SS**  trans-73.296.1159.855.30000106.1S255 S259S255-S257 PolarHBondContact O-N 2.82Å; S257-S259 PolarHBondContact O-N 3.25Å
258T30.1Very low42.7Very low128 Ų128118.3 Ų118.379%0.78568%0.677SS**  trans-63.882.4167.8440000107.8E256 S260E256-T258 VanDerWaalsContact C-N 3.3Å; E256-T258 PolarHBondContact O-N 2.79Å; E256-T258 VanDerWaalsContact O-N 3.07Å; T258-S260 PolarHBondContact O-N 3.08Å
259S33.4Very low45.2Very low106 Ų106111.9 Ų111.974%0.74164%0.643SS**  trans-68.386.1167.666.90000106.7S257 T261S257-S259 PolarHBondContact O-N 3.25Å; S259-T261 PolarHBondContact O-N 3.16Å
260S35.5Very low47.1Very low107 Ų107114 Ų11475%0.74864%0.637SS**  trans-56.9111.6166.649.20000106.3T258 P262T258-S260 PolarHBondContact O-N 3.08Å; S260-P262 WeakPolarHBondContact O-CD 3.34Å
261T35Very low49.6Very low114 Ų114108.2 Ų108.270%0.69961%0.606SS**  trans-54.1125.2168.337.50000106.4S259 N263S259-T261 PolarHBondContact O-N 3.16Å; T261-N263 PolarHBondContact O-N 2.81Å; T261-N263 VanDerWaalsContact O-N 3.13Å
262P39.6Very low52.4Low106 Ų106103.3 Ų103.369%0.68857%0.572SS**  trans-57.1127.6178.119.8-28.7000107.9S260 Y264S260-P262 WeakPolarHBondContact O-CD 3.34Å; P262-Y264 PolarHBondContact O-N 2.77Å
263N48.9Very low55.3Low155 Ų15596.5 Ų96.583%0.82954%0.535SS*.SBendtrans-63.87.9179.7-77.4-22.6000113.5T261T261-N263 PolarHBondContact O-N 2.81Å; T261-N263 VanDerWaalsContact O-N 3.13Å
264Y49.5Very low58.1Low40 Ų4089.4 Ų89.416%0.15750%0.496CS..SBendtrans-135.8134.8-172.7-176.9-95.7000110.9N228 P262 G266 P268 D309 Y311N228-Y264 PolarHBondContact ND2-OH 2.8Å; P262-Y264 PolarHBondContact O-N 2.77Å; Y264-G266 VanDerWaalsContact CD1-O 3.25Å; Y264-G266 WeakPolarHBondContact CD1-O 3.21Å; Y264-G266 VanDerWaalsContact CE1-C 3.49Å; Y264-G266 VanDerWaalsContact CE1-O 3.31Å; Y264-G266 WeakPolarHBondContact CE1-O 3.49Å; Y264-P268 HydrophobicContact CD1-CG 3.97Å; Y264-P268 HydrophobicContact CE1-CB 4.08Å; Y264-P268 VanDerWaalsContact CE1-CD 3.45Å; Y264-P268 HydrophobicContact CE1-CG 3.43Å; Y264-P268 VanDerWaalsContact CE1-CG 3.43Å; Y264-P268 HydrophobicContact CE2-CG 4.4Å; Y264-D309 HydrophobicContact CD2-CB 3.28Å; Y264-D309 HydrophobicContact CE2-CB 3.35Å; Y264-D309 HydrophobicContact CG-CB 4.26Å; Y264-Y311 AromaticContact CD2-CE2 4Å; Y264-Y311 HydrophobicContact CD2-CE2 4Å; Y264-Y311 HydrophobicContact CE2-CD2 4.05Å; Y264-Y311 AromaticContact CE2-CE2 3.21Å; Y264-Y311 HydrophobicContact CE2-CE2 3.21Å; Y264-Y311 AromaticContact CE2-CZ 3.8Å; Y264-Y311 AromaticContact CZ-CE2 3.85Å; Y264-Y311 AromaticContact CZ-CZ 3.94Å; Y264-Y311 PolarHBondContact OH-OH 2.82Å
265H58Low61.2Low147 Ų14781.3 Ų81.368%0.68145%0.453SS*.SBendtrans-93.9119.6170.7-69.2-68.2000110.5N228 Y311N228-H265 PolarHBondContact ND2-O 2.93Å; H265-Y311 PolarHBondContact O-OH 2.98Å; H265-Y311 VanDerWaalsContact O-OH 3.12Å
266G68.9Low64Low31 Ų3176.8 Ų76.832%0.3242%0.422SS..SBendtrans107.3-169.8174.600000114.5E230 Y264E230-G266 WeakPolarHBondContact OE2-CA 3.23Å; Y264-G266 VanDerWaalsContact CD1-O 3.25Å; Y264-G266 WeakPolarHBondContact CD1-O 3.21Å; Y264-G266 VanDerWaalsContact CE1-C 3.49Å; Y264-G266 VanDerWaalsContact CE1-O 3.31Å; Y264-G266 WeakPolarHBondContact CE1-O 3.49Å
267R80.9Confident67.1Low159 Ų15968.3 Ų68.360%0.638%0.381SS*.  trans-119.598.9179.7-175.4-178.6178.3-173.40.3110N228 L229 E230N228-R267 VanDerWaalsContact OD1-C 3.28Å; N228-R267 PolarHBondContact OD1-N 3.19Å; N228-R267 PolarHBondContact OD1-O 2.76Å; N228-R267 VanDerWaalsContact OD1-O 3.04Å; L229-R267 HydrophobicContact CB-CB 4.32Å; L229-R267 VanDerWaalsContact CB-O 3.29Å; L229-R267 WeakPolarHBondContact CB-O 3.49Å; L229-R267 HydrophobicContact CD1-CG 4.18Å; L229-R267 WeakPolarHBondContact CG-O 3.45Å; L229-R267 PolarHBondContact N-O 3.42Å; E230-R267 HydrophobicContact CG-CB 3.97Å
268P81.8Confident69.9Low24 Ų2464.9 Ų64.916%0.15636%0.357CS..BIsolated β-bridgetrans-74.5147.1-174.514.9-6000112.3G227 Y264 I308G227-P268 CarbonylContact O-C 3.49Å; G227-P268 WeakPolarHBondContact O-CA 3.24Å; Y264-P268 HydrophobicContact CD1-CG 3.97Å; Y264-P268 HydrophobicContact CE1-CB 4.08Å; Y264-P268 VanDerWaalsContact CE1-CD 3.45Å; Y264-P268 HydrophobicContact CE1-CG 3.43Å; Y264-P268 VanDerWaalsContact CE1-CG 3.43Å; Y264-P268 HydrophobicContact CE2-CG 4.4Å; P268-I308 HydrophobicContact CB-CD1 3.85Å; P268-I308 HydrophobicContact CB-CG1 3.68Å; P268-I308 WeakPolarHBondContact CB-O 3.27Å; P268-I308 HydrophobicContact CG-CB 4.46Å; P268-I308 HydrophobicContact CG-CD1 3.46Å; P268-I308 VanDerWaalsContact CG-CD1 3.46Å; P268-I308 HydrophobicContact CG-CG1 3.64Å; P268-I308 HydrophobicContact CG-CG2 4.17Å
269A85.2Confident72.5Confident4 Ų462.4 Ų62.43%0.03335%0.345CS..  trans-90.6129176.800000109.5R209 F226 G227 L229 D271R209-A269 VanDerWaalsContact NH1-CB 3.31Å; F226-A269 VanDerWaalsContact CA-O 3.23Å; F226-A269 WeakPolarHBondContact CA-O 3.35Å; G227-A269 PolarHBondContact O-N 2.95Å; L229-A269 HydrophobicContact CD2-CB 3.76Å; L229-A269 HydrophobicContact CG-CB 4.13Å; A269-D271 WeakPolarHBondContact CB-OD1 3.3Å
270R80.5Confident75Confident151 Ų15158.6 Ų58.657%0.5732%0.318SS*.  trans-99.2-11.1179.3-77.4-172.9173.1152.919.8114.2I308R270-I308 HydrophobicContact CG-CB 4.38Å; R270-I308 HydrophobicContact CG-CD1 3.52Å; R270-I308 HydrophobicContact CG-CG1 3.46Å; R270-I308 VanDerWaalsContact CG-CG1 3.46Å; R270-I308 VanDerWaalsContact NE-CG1 3.33Å
271D88.6Confident77.4Confident33 Ų3357 Ų5718%0.17630%0.301CS..  trans-79153.8-173.354.9-11.9000112R209 F226 A269 W273R209-D271 IonicContact CZ-OD1 3.25Å; R209-D271 VanDerWaalsContact CZ-OD1 3.24Å; R209-D271 IonicContact CZ-OD2 3.16Å; R209-D271 IonicContact NH1-OD1 3.66Å; R209-D271 PolarHBondContact NH1-OD1 3.01Å; R209-D271 IonicContact NH1-OD2 3.45Å; R209-D271 VanDerWaalsContact NH2-CG 3.29Å; R209-D271 IonicContact NH2-OD1 2.86Å; R209-D271 PolarHBondContact NH2-OD1 2.92Å; R209-D271 IonicContact NH2-OD2 3.15Å; R209-D271 PolarHBondContact NH2-OD2 2.94Å; F226-D271 PolarHBondContact N-O 2.84Å; A269-D271 WeakPolarHBondContact CB-OD1 3.3Å; D271-W273 PolarHBondContact OD2-NE1 2.9Å
272I92.4Very high79.7Confident3 Ų360.4 Ų60.42%0.01531%0.313CS..EExtended strand (participates in β ladder)trans-127.3136.6178.6-57.6178.4000106.8L223 L224 L225 F226 V296 L509 W537L223-I272 HydrophobicContact CD1-CG2 3.58Å; L223-I272 HydrophobicContact CG-CG2 4.34Å; L224-I272 WeakPolarHBondContact O-CA 3.45Å; L225-I272 HydrophobicContact CG-CG2 4.33Å; F226-I272 HydrophobicContact CE1-CD1 4.34Å; F226-I272 HydrophobicContact CE1-CG1 4.16Å; F226-I272 HydrophobicContact CZ-CD1 4.35Å; I272-V296 HydrophobicContact CB-CB 3.98Å; I272-V296 HydrophobicContact CB-CG2 4.36Å; I272-V296 HydrophobicContact CG2-CB 3.89Å; I272-V296 HydrophobicContact CG2-CG2 3.8Å; I272-V296 PolarHBondContact O-N 3.12Å; I272-L509 HydrophobicContact CD1-CD2 3.79Å; I272-W537 HydrophobicContact CD1-CZ2 3.7Å
273W94.5Very high81.9Confident12 Ų1259 Ų595%0.04532%0.317CS..EExtended strand (participates in β ladder)trans-137.3146.1-173.6-65.987.8000111.4D204 P206 L223 L224 D271 W293 T294 K295 F528D204-W273 WeakPolarHBondContact O-CH2 3.4Å; D204-W273 WeakPolarHBondContact O-CZ3 3.45Å; P206-W273 HydrophobicContact CB-CD2 4.24Å; P206-W273 HydrophobicContact CB-CG 4.07Å; P206-W273 HydrophobicContact CG-CD2 4.33Å; P206-W273 HydrophobicContact CG-CG 4.26Å; L223-W273 CarbonylContact C-O 3.44Å; L224-W273 HydrophobicContact CB-CB 4.26Å; L224-W273 HydrophobicContact CD2-CB 4.35Å; L224-W273 PolarHBondContact N-O 3.05Å; L224-W273 PolarHBondContact O-N 3.33Å; D271-W273 PolarHBondContact OD2-NE1 2.9Å; W273-W293 HydrophobicContact CB-CE3 3.67Å; W273-W293 HydrophobicContact CB-CZ3 3.7Å; W273-W293 HydrophobicContact CE3-CB 4Å; W273-W293 HydrophobicContact CE3-CE3 4.5Å; W273-W293 HydrophobicContact CG-CE3 4.46Å; W273-W293 HydrophobicContact CZ3-CB 4.18Å; W273-T294 WeakPolarHBondContact CA-O 3.21Å; W273-K295 HydrophobicContact CD2-CB 4.17Å; W273-K295 HydrophobicContact CD2-CG 4.17Å; W273-K295 HydrophobicContact CE3-CB 3.77Å; W273-K295 HydrophobicContact CE3-CG 4.26Å; W273-K295 HydrophobicContact CH2-CB 3.87Å; W273-K295 HydrophobicContact CH2-CD 3.95Å; W273-K295 HydrophobicContact CH2-CG 4.08Å; W273-K295 HydrophobicContact CZ2-CB 4.24Å; W273-K295 HydrophobicContact CZ2-CD 3.78Å; W273-K295 HydrophobicContact CZ2-CG 3.95Å; W273-K295 HydrophobicContact CZ3-CB 3.62Å; W273-K295 HydrophobicContact CZ3-CG 4.24Å; W273-F528 HydrophobicContact CH2-CE2 4.34Å; W273-F528 HydrophobicContact CZ3-CD2 4.06Å; W273-F528 AromaticContact CZ3-CE2 3.85Å; W273-F528 HydrophobicContact CZ3-CE2 3.85Å
274I95.1Very high83.8Confident0 Ų053.7 Ų53.70%029%0.287CS..EExtended strand (participates in β ladder)trans-111.7121.9171.3-61.4168.3000107.5L217 R221 M222 L223 W293 T294 V296 I511 Y513 A533L217-I274 HydrophobicContact CD1-CD1 4.12Å; L217-I274 HydrophobicContact CD1-CG1 4.01Å; L217-I274 HydrophobicContact CD1-CG2 4.22Å; R221-I274 HydrophobicContact CB-CG2 4.1Å; R221-I274 HydrophobicContact CG-CG2 4.27Å; M222-I274 CarbonylContact O-C 3.5Å; M222-I274 WeakPolarHBondContact O-CA 3.38Å; L223-I274 HydrophobicContact CD1-CG1 3.82Å; I274-W293 CarbonylContact O-C 3.57Å; I274-W293 WeakPolarHBondContact O-CA 3.18Å; I274-T294 PolarHBondContact N-O 2.83Å; I274-T294 PolarHBondContact O-N 2.83Å; I274-V296 HydrophobicContact CD1-CG2 3.78Å; I274-V296 HydrophobicContact CG1-CG2 3.74Å; I274-I511 HydrophobicContact CD1-CG2 4.04Å; I274-Y513 HydrophobicContact CD1-CD2 3.61Å; I274-Y513 HydrophobicContact CD1-CE2 4.29Å; I274-Y513 HydrophobicContact CD1-CG 4.24Å; I274-A533 HydrophobicContact CD1-CB 4.06Å
275L95.1Very high85.8Confident0 Ų056.6 Ų56.60%030%0.302CS..EExtended strand (participates in β ladder)trans-92130.5166.4178.366.3000108.5V165 L181 R221 M222 W291 F292 W293V165-L275 HydrophobicContact CG1-CD2 3.7Å; L181-L275 HydrophobicContact CD1-CD2 3.82Å; L181-L275 HydrophobicContact CD2-CD1 4.08Å; L181-L275 HydrophobicContact CD2-CD2 3.89Å; R221-L275 CarbonylContact C-O 3.56Å; R221-L275 VanDerWaalsContact CA-O 3.24Å; R221-L275 WeakPolarHBondContact CA-O 3.37Å; M222-L275 HydrophobicContact CB-CB 4.38Å; M222-L275 HydrophobicContact CE-CB 4.33Å; M222-L275 HydrophobicContact CE-CD2 3.93Å; M222-L275 PolarHBondContact N-O 2.9Å; M222-L275 PolarHBondContact O-N 3.38Å; L275-W291 HydrophobicContact CD1-CB 4.19Å; L275-W291 HydrophobicContact CD1-CE3 3.88Å; L275-W291 HydrophobicContact CD2-CE3 3.74Å; L275-W291 HydrophobicContact CD2-CZ3 3.8Å; L275-W291 HydrophobicContact CG-CE3 3.58Å; L275-W291 HydrophobicContact CG-CZ3 3.93Å; L275-F292 CarbonylContact C-O 3.54Å; L275-F292 WeakPolarHBondContact CA-O 3.29Å; L275-W293 HydrophobicContact CB-CD2 4.21Å; L275-W293 HydrophobicContact CB-CE3 3.76Å; L275-W293 HydrophobicContact CB-CH2 3.72Å; L275-W293 HydrophobicContact CB-CZ2 4.12Å; L275-W293 HydrophobicContact CB-CZ3 3.53Å; L275-W293 HydrophobicContact CD1-CD2 3.98Å; L275-W293 HydrophobicContact CD1-CE3 4.4Å; L275-W293 HydrophobicContact CD1-CG 4.39Å; L275-W293 HydrophobicContact CD1-CZ2 4.07Å; L275-W293 HydrophobicContact CD2-CH2 4.38Å; L275-W293 HydrophobicContact CD2-CZ2 4.27Å; L275-W293 HydrophobicContact CG-CH2 4.42Å; L275-W293 HydrophobicContact CG-CZ2 4.38Å
276T92.8Very high87.3Confident3 Ų350.4 Ų50.42%0.01827%0.273CS..EExtended strand (participates in β ladder)trans-121.4132.8-178.2-52.80000110.9N220 R221 W291 F292N220-T276 CarbonylContact O-C 3.45Å; N220-T276 WeakPolarHBondContact O-CA 3.38Å; R221-T276 HydrophobicContact CG-CG2 4.12Å; R221-T276 VanDerWaalsContact CZ-CG2 3.5Å; R221-T276 PolarHBondContact NH1-OG1 3.5Å; T276-W291 CarbonylContact O-C 3.58Å; T276-W291 WeakPolarHBondContact O-CA 3.03Å; T276-F292 VanDerWaalsContact CB-CE2 3.47Å; T276-F292 HydrophobicContact CG2-CD1 4.29Å; T276-F292 HydrophobicContact CG2-CE1 3.5Å; T276-F292 VanDerWaalsContact CG2-CE1 3.5Å; T276-F292 HydrophobicContact CG2-CE2 4Å; T276-F292 HydrophobicContact CG2-CZ 3.34Å; T276-F292 PolarHBondContact N-O 2.85Å; T276-F292 PolarHBondContact O-N 3.34Å; T276-F292 WeakPolarHBondContact OG1-CE2 3.36Å
277R92.6Very high88.4Confident9 Ų950.9 Ų50.93%0.03427%0.266CS..EExtended strand (participates in β ladder)trans-88.2126.2164.9-175.7173.663.4-175.7-5.9109.9P161 S219 N220 V289 W291P161-R277 PolarHBondContact O-NH1 2.82Å; S219-R277 PolarHBondContact O-NH2 3.2Å; N220-R277 HydrophobicContact CB-CB 4.39Å; N220-R277 PolarHBondContact O-N 3.28Å; N220-R277 PolarHBondContact OD1-NE 2.84Å; N220-R277 PolarHBondContact OD1-NH2 2.72Å; R277-V289 HydrophobicContact CG-CG2 3.77Å; R277-W291 HydrophobicContact CB-CD2 4.06Å; R277-W291 HydrophobicContact CB-CE3 3.86Å; R277-W291 HydrophobicContact CB-CH2 3.71Å; R277-W291 HydrophobicContact CB-CZ2 3.84Å; R277-W291 HydrophobicContact CB-CZ3 3.7Å; R277-W291 HydrophobicContact CG-CD2 4.37Å; R277-W291 HydrophobicContact CG-CH2 4.14Å; R277-W291 HydrophobicContact CG-CZ2 3.78Å
278C89Confident88.8Confident30 Ų3047.1 Ų47.120%0.20326%0.256CS..PPolyproline II helixtrans-73.3151.9169.5-65.90000110.8N290C278-N290 HydrophobicContact CB-CB 4.47Å; C278-N290 WeakPolarHBondContact CB-O 3.49Å; C278-N290 PolarHBondContact N-O 2.81Å
279S85.1Confident89.2Confident77 Ų7746.1 Ų46.154%0.53825%0.249SC..PPolyproline II helixtrans-66.9142.1171.2-64.30000111.4E160E160-S279 VanDerWaalsContact OE1-CA 3.26Å; E160-S279 WeakPolarHBondContact OE1-CA 3.4Å; E160-S279 VanDerWaalsContact OE1-CB 3.28Å; E160-S279 WeakPolarHBondContact OE1-CB 3.18Å; E160-S279 PolarHBondContact OE1-OG 3.22Å
280P86.5Confident89.3Confident25 Ų2547.1 Ų47.116%0.16225%0.254CS..PPolyproline II helixtrans-69.8141.7179.428.2-33.4000110.9V158 E160 Q284 V289V158-P280 WeakPolarHBondContact O-CG 3.47Å; E160-P280 HydrophobicContact CG-CG 4.28Å; P280-Q284 HydrophobicContact CB-CB 4.3Å; P280-V289 HydrophobicContact CB-CG1 3.74Å
281N85.7Confident89.9Confident73 Ų7340 Ų4039%0.3923%0.227SC..PPolyproline II helixtrans-68.8163165.9-72.7-41.5000111.3G283 Q284 L519N281-G283 PolarHBondContact O-N 2.98Å; N281-G283 VanDerWaalsContact O-N 3.12Å; N281-Q284 HydrophobicContact CB-CB 4.02Å; N281-Q284 VanDerWaalsContact O-CB 3.25Å; N281-Q284 WeakPolarHBondContact O-CB 3.14Å; N281-Q284 PolarHBondContact O-N 2.8Å; N281-L519 WeakPolarHBondContact OD1-CD2 3.48Å
282I84.2Confident89.8Confident187 Ų18738.9 Ų38.996%0.95922%0.221SC*.THydrogen-bonded Turntrans-57.9121.2175.8-61.5171.1000109.3Q284I282-Q284 VanDerWaalsContact C-N 3.28Å; I282-Q284 PolarHBondContact O-N 2.76Å
283G85Confident89.8Confident75 Ų7539 Ų3977%0.77322%0.221SC*.THydrogen-bonded Turntrans80.7-0.1-179.100000115.1N281N281-G283 PolarHBondContact O-N 2.98Å; N281-G283 VanDerWaalsContact O-N 3.12Å
284Q88.6Confident89.7Confident44 Ų4438.5 Ų38.521%0.20622%0.219CC..  trans-80.4134.4176-171.817626.200110.6P280 N281 I282 E288P280-Q284 HydrophobicContact CB-CB 4.3Å; N281-Q284 HydrophobicContact CB-CB 4.02Å; N281-Q284 VanDerWaalsContact O-CB 3.25Å; N281-Q284 WeakPolarHBondContact O-CB 3.14Å; N281-Q284 PolarHBondContact O-N 2.8Å; I282-Q284 VanDerWaalsContact C-N 3.28Å; I282-Q284 PolarHBondContact O-N 2.76Å; Q284-E288 HydrophobicContact CG-CB 3.54Å; Q284-E288 VanDerWaalsContact NE2-C 3.25Å; Q284-E288 PolarHBondContact NE2-O 2.82Å
285E90.9Very high89.5Confident101 Ų10143.5 Ų43.547%0.47224%0.241SC..  trans-79.5157.5176.5-72.7-63.4148.500112F287 E288E285-F287 HydrophobicContact CB-CD1 3.92Å; E285-F287 HydrophobicContact CB-CD2 4.44Å; E285-F287 HydrophobicContact CB-CE1 3.5Å; E285-F287 VanDerWaalsContact CB-CE1 3.5Å; E285-F287 HydrophobicContact CB-CE2 4.07Å; E285-F287 HydrophobicContact CB-CG 4.37Å; E285-F287 HydrophobicContact CB-CZ 3.58Å; E285-F287 HydrophobicContact CG-CE1 3.9Å; E285-F287 HydrophobicContact CG-CZ 3.86Å; E285-F287 PolarHBondContact O-N 2.7Å; E285-E288 HydrophobicContact CB-CG 4.16Å; E285-E288 PolarHBondContact N-OE2 2.63Å; E285-E288 WeakPolarHBondContact O-CB 3.35Å; E285-E288 PolarHBondContact O-N 3.25Å
286W90.7Very high89.4Confident18 Ų1843.9 Ų43.97%0.06824%0.243CC..THydrogen-bonded Turntrans-58.6-26.3-177.471.5-88.8000113.8V134 P161 V163 V183 N188 C190 I192 V289V134-W286 HydrophobicContact CG2-CH2 4.42Å; V134-W286 HydrophobicContact CG2-CZ2 4.17Å; P161-W286 HydrophobicContact CG-CB 3.55Å; P161-W286 HydrophobicContact CG-CD2 4.46Å; P161-W286 HydrophobicContact CG-CG 3.86Å; V163-W286 HydrophobicContact CG1-CE3 4.39Å; V183-W286 HydrophobicContact CG1-CZ3 4.04Å; N188-W286 PolarHBondContact ND2-NE1 2.86Å; N188-W286 VanDerWaalsContact ND2-NE1 3.12Å; C190-W286 HydrophobicContact CB-CZ2 3.96Å; I192-W286 HydrophobicContact CD1-CZ3 4.18Å; I192-W286 HydrophobicContact CG1-CH2 4.45Å; I192-W286 HydrophobicContact CG1-CZ3 4.18Å; I192-W286 HydrophobicContact CG2-CH2 4.3Å; W286-V289 VanDerWaalsContact O-CG2 3.24Å; W286-V289 WeakPolarHBondContact O-CG2 3.26Å
287F91.5Very high89.3Confident40 Ų4049.8 Ų49.818%0.17527%0.271CS..THydrogen-bonded Turntrans-88.9-7-179.857.4-102.7000113.4V134 I192 E285 K525V134-F287 HydrophobicContact CG1-CB 4.49Å; V134-F287 HydrophobicContact CG1-CD1 4.16Å; V134-F287 HydrophobicContact CG1-CD2 3.69Å; V134-F287 HydrophobicContact CG1-CE1 4.32Å; V134-F287 HydrophobicContact CG1-CE2 3.87Å; V134-F287 HydrophobicContact CG1-CG 3.85Å; V134-F287 HydrophobicContact CG1-CZ 4.19Å; V134-F287 HydrophobicContact CG2-CB 4.03Å; V134-F287 HydrophobicContact CG2-CD1 4.09Å; V134-F287 HydrophobicContact CG2-CG 4.02Å; I192-F287 HydrophobicContact CD1-CB 4.07Å; I192-F287 HydrophobicContact CG2-CB 3.72Å; E285-F287 HydrophobicContact CB-CD1 3.92Å; E285-F287 HydrophobicContact CB-CD2 4.44Å; E285-F287 HydrophobicContact CB-CE1 3.5Å; E285-F287 VanDerWaalsContact CB-CE1 3.5Å; E285-F287 HydrophobicContact CB-CE2 4.07Å; E285-F287 HydrophobicContact CB-CG 4.37Å; E285-F287 HydrophobicContact CB-CZ 3.58Å; E285-F287 HydrophobicContact CG-CE1 3.9Å; E285-F287 HydrophobicContact CG-CZ 3.86Å; E285-F287 PolarHBondContact O-N 2.7Å; F287-K525 WeakPolarHBondContact O-CE 3.18Å; F287-K525 PolarHBondContact O-NZ 3.32Å
288E89.8Confident88.9Confident81 Ų8151.2 Ų51.238%0.37928%0.281SS..THydrogen-bonded Turntrans-94.9-14177.4-61.9179.3148.100111.9Q284 E285Q284-E288 HydrophobicContact CG-CB 3.54Å; Q284-E288 VanDerWaalsContact NE2-C 3.25Å; Q284-E288 PolarHBondContact NE2-O 2.82Å; E285-E288 HydrophobicContact CB-CG 4.16Å; E285-E288 PolarHBondContact N-OE2 2.63Å; E285-E288 WeakPolarHBondContact O-CB 3.35Å; E285-E288 PolarHBondContact O-N 3.25Å
289V88.8Confident88Confident3 Ų352.1 Ų52.12%0.01829%0.288CS..SBendtrans-63.8144.4-178.6-52.20000111.6R277 P280 W286 W291R277-V289 HydrophobicContact CG-CG2 3.77Å; P280-V289 HydrophobicContact CB-CG1 3.74Å; W286-V289 VanDerWaalsContact O-CG2 3.24Å; W286-V289 WeakPolarHBondContact O-CG2 3.26Å; V289-W291 VanDerWaalsContact O-CD1 3.29Å
290N88.7Confident87.1Confident24 Ų2455.6 Ų55.613%0.12830%0.296CS..  trans-77.2149.1175.7-69-26.5000111C278 Y520C278-N290 HydrophobicContact CB-CB 4.47Å; C278-N290 WeakPolarHBondContact CB-O 3.49Å; C278-N290 PolarHBondContact N-O 2.81Å; N290-Y520 PolarHBondContact ND2-O 3.11Å
291W91.4Very high85.6Confident2 Ų258.1 Ų58.11%0.00833%0.326CS..EExtended strand (participates in β ladder)trans-125.3152.2175.7-69.376.4000109.7L153 V163 V165 V183 L194 L275 T276 R277 V289 K525 I526 H527L153-W291 HydrophobicContact CD1-CH2 4Å; L153-W291 HydrophobicContact CD1-CZ3 4.18Å; V163-W291 HydrophobicContact CG2-CH2 4.32Å; V165-W291 HydrophobicContact CG2-CH2 3.81Å; V165-W291 HydrophobicContact CG2-CZ3 4.2Å; V183-W291 HydrophobicContact CG1-CZ2 4.08Å; V183-W291 HydrophobicContact CG2-CH2 4.35Å; V183-W291 HydrophobicContact CG2-CZ2 3.98Å; L194-W291 HydrophobicContact CD1-CB 4.06Å; L194-W291 HydrophobicContact CD1-CD2 3.92Å; L194-W291 HydrophobicContact CD1-CG 3.56Å; L275-W291 HydrophobicContact CD1-CB 4.19Å; L275-W291 HydrophobicContact CD1-CE3 3.88Å; L275-W291 HydrophobicContact CD2-CE3 3.74Å; L275-W291 HydrophobicContact CD2-CZ3 3.8Å; L275-W291 HydrophobicContact CG-CE3 3.58Å; L275-W291 HydrophobicContact CG-CZ3 3.93Å; T276-W291 CarbonylContact O-C 3.58Å; T276-W291 WeakPolarHBondContact O-CA 3.03Å; R277-W291 HydrophobicContact CB-CD2 4.06Å; R277-W291 HydrophobicContact CB-CE3 3.86Å; R277-W291 HydrophobicContact CB-CH2 3.71Å; R277-W291 HydrophobicContact CB-CZ2 3.84Å; R277-W291 HydrophobicContact CB-CZ3 3.7Å; R277-W291 HydrophobicContact CG-CD2 4.37Å; R277-W291 HydrophobicContact CG-CH2 4.14Å; R277-W291 HydrophobicContact CG-CZ2 3.78Å; V289-W291 VanDerWaalsContact O-CD1 3.29Å; W291-K525 PolarHBondContact N-O 3.26Å; W291-I526 CarbonylContact O-C 3.56Å; W291-I526 VanDerWaalsContact O-CA 3.28Å; W291-I526 WeakPolarHBondContact O-CA 3.06Å; W291-H527 PolarHBondContact O-N 3.01Å
292F88.4Confident84.2Confident10 Ų1057.9 Ų57.94%0.04432%0.324CS..EExtended strand (participates in β ladder)trans-150.3150.3175.364.7-97.7000114.6L275 T276 Y513 H527 T529 N531L275-F292 CarbonylContact C-O 3.54Å; L275-F292 WeakPolarHBondContact CA-O 3.29Å; T276-F292 VanDerWaalsContact CB-CE2 3.47Å; T276-F292 HydrophobicContact CG2-CD1 4.29Å; T276-F292 HydrophobicContact CG2-CE1 3.5Å; T276-F292 VanDerWaalsContact CG2-CE1 3.5Å; T276-F292 HydrophobicContact CG2-CE2 4Å; T276-F292 HydrophobicContact CG2-CZ 3.34Å; T276-F292 PolarHBondContact N-O 2.85Å; T276-F292 PolarHBondContact O-N 3.34Å; T276-F292 WeakPolarHBondContact OG1-CE2 3.36Å; F292-Y513 WeakPolarHBondContact CE2-OH 3.16Å; F292-Y513 WeakPolarHBondContact CZ-OH 3.01Å; F292-H527 CarbonylContact C-O 3.52Å; F292-H527 WeakPolarHBondContact CA-O 3.38Å; F292-H527 HydrophobicContact CB-CB 4.19Å; F292-H527 WeakPolarHBondContact CB-O 3.37Å; F292-T529 HydrophobicContact CB-CG2 3.56Å; F292-T529 HydrophobicContact CD1-CG2 4Å; F292-T529 HydrophobicContact CD2-CG2 3.2Å; F292-T529 WeakPolarHBondContact CD2-OG1 3.22Å; F292-T529 HydrophobicContact CE1-CG2 4.47Å; F292-T529 HydrophobicContact CE2-CG2 3.76Å; F292-T529 HydrophobicContact CG-CG2 3.31Å; F292-T529 HydrophobicContact CZ-CG2 4.35Å; F292-N531 WeakPolarHBondContact CE2-ND2 3.17Å; F292-N531 WeakPolarHBondContact CZ-ND2 3.39Å
293W91.9Very high82.7Confident5 Ų553.4 Ų53.42%0.01931%0.307CS..EExtended strand (participates in β ladder)trans-94.4136174.8-72.3108.1000110.9F167 L181 P206 M222 L224 W273 I274 L275 H527 T529F167-W293 HydrophobicContact CD2-CH2 4.3Å; F167-W293 AromaticContact CD2-CZ2 3.92Å; F167-W293 HydrophobicContact CD2-CZ2 3.92Å; F167-W293 HydrophobicContact CE2-CZ2 4.02Å; L181-W293 HydrophobicContact CD2-CZ2 4.36Å; P206-W293 HydrophobicContact CG-CD2 3.75Å; P206-W293 HydrophobicContact CG-CE3 3.95Å; P206-W293 HydrophobicContact CG-CG 4.39Å; P206-W293 HydrophobicContact CG-CH2 3.85Å; P206-W293 HydrophobicContact CG-CZ2 3.68Å; P206-W293 HydrophobicContact CG-CZ3 3.97Å; M222-W293 HydrophobicContact CE-CH2 4.12Å; L224-W293 HydrophobicContact CB-CH2 4.36Å; L224-W293 HydrophobicContact CB-CZ3 4.12Å; L224-W293 HydrophobicContact CD2-CH2 3.91Å; L224-W293 HydrophobicContact CD2-CZ3 4.07Å; W273-W293 HydrophobicContact CB-CE3 3.67Å; W273-W293 HydrophobicContact CB-CZ3 3.7Å; W273-W293 HydrophobicContact CE3-CB 4Å; W273-W293 HydrophobicContact CE3-CE3 4.5Å; W273-W293 HydrophobicContact CG-CE3 4.46Å; W273-W293 HydrophobicContact CZ3-CB 4.18Å; I274-W293 CarbonylContact O-C 3.57Å; I274-W293 WeakPolarHBondContact O-CA 3.18Å; L275-W293 HydrophobicContact CB-CD2 4.21Å; L275-W293 HydrophobicContact CB-CE3 3.76Å; L275-W293 HydrophobicContact CB-CH2 3.72Å; L275-W293 HydrophobicContact CB-CZ2 4.12Å; L275-W293 HydrophobicContact CB-CZ3 3.53Å; L275-W293 HydrophobicContact CD1-CD2 3.98Å; L275-W293 HydrophobicContact CD1-CE3 4.4Å; L275-W293 HydrophobicContact CD1-CG 4.39Å; L275-W293 HydrophobicContact CD1-CZ2 4.07Å; L275-W293 HydrophobicContact CD2-CH2 4.38Å; L275-W293 HydrophobicContact CD2-CZ2 4.27Å; L275-W293 HydrophobicContact CG-CH2 4.42Å; L275-W293 HydrophobicContact CG-CZ2 4.38Å; W293-H527 PolarHBondContact N-O 2.93Å; W293-T529 PolarHBondContact O-N 2.88Å
294T91.4Very high81.3Confident1 Ų150.8 Ų50.81%0.00628%0.28CS..EExtended strand (participates in β ladder)trans-123.6122.7168-540000108.8W273 I274 Y513 T529 N531 A533W273-T294 WeakPolarHBondContact CA-O 3.21Å; I274-T294 PolarHBondContact N-O 2.83Å; I274-T294 PolarHBondContact O-N 2.83Å; T294-Y513 HydrophobicContact CG2-CE2 3.9Å; T294-T529 PolarHBondContact OG1-OG1 2.96Å; T294-T529 VanDerWaalsContact OG1-OG1 3.08Å; T294-N531 HydrophobicContact CG2-CB 4.18Å; T294-N531 WeakPolarHBondContact CG2-O 3.35Å; T294-A533 HydrophobicContact CG2-CB 3.79Å
295K92Very high80.1Confident106 Ų10651.1 Ų51.146%0.46129%0.287SS..EExtended strand (participates in β ladder)trans-75.1132.2175-165.3172.7-175.6175.20109.8W273 F528W273-K295 HydrophobicContact CD2-CB 4.17Å; W273-K295 HydrophobicContact CD2-CG 4.17Å; W273-K295 HydrophobicContact CE3-CB 3.77Å; W273-K295 HydrophobicContact CE3-CG 4.26Å; W273-K295 HydrophobicContact CH2-CB 3.87Å; W273-K295 HydrophobicContact CH2-CD 3.95Å; W273-K295 HydrophobicContact CH2-CG 4.08Å; W273-K295 HydrophobicContact CZ2-CB 4.24Å; W273-K295 HydrophobicContact CZ2-CD 3.78Å; W273-K295 HydrophobicContact CZ2-CG 3.95Å; W273-K295 HydrophobicContact CZ3-CB 3.62Å; W273-K295 HydrophobicContact CZ3-CG 4.24Å; K295-F528 HydrophobicContact CB-CE2 4.47Å
296V92.2Very high78.9Confident7 Ų746.8 Ų46.84%0.04227%0.268CS..EExtended strand (participates in β ladder)trans-87.4118.3175-172.50000108.8L223 I272 I274 C298 I511 A533L223-V296 HydrophobicContact CD1-CG2 4.49Å; I272-V296 HydrophobicContact CB-CB 3.98Å; I272-V296 HydrophobicContact CB-CG2 4.36Å; I272-V296 HydrophobicContact CG2-CB 3.89Å; I272-V296 HydrophobicContact CG2-CG2 3.8Å; I272-V296 PolarHBondContact O-N 3.12Å; I274-V296 HydrophobicContact CD1-CG2 3.78Å; I274-V296 HydrophobicContact CG1-CG2 3.74Å; V296-C298 PolarHBondContact O-N 2.83Å; V296-I511 HydrophobicContact CG1-CG2 4.39Å; V296-A533 HydrophobicContact CB-CB 4.27Å; V296-A533 HydrophobicContact CG1-CB 4.35Å; V296-A533 HydrophobicContact CG2-CB 3.9Å
297Q90.1Very high77.7Confident128 Ų12847.4 Ų47.460%0.59827%0.274SS*.EExtended strand (participates in β ladder)trans-78.4111.6174-65.7-176.3-13.800109A533 K534 G535Q297-A533 PolarHBondContact N-O 3.04Å; Q297-K534 CarbonylContact O-C 3.57Å; Q297-K534 WeakPolarHBondContact O-CA 3.49Å; Q297-G535 PolarHBondContact O-N 3.41Å
298C85.2Confident76.3Confident38 Ų3847.9 Ų47.926%0.25728%0.278SS..EExtended strand (participates in β ladder)trans-107140.5174.9-71.90000110.8V296 E300 G535V296-C298 PolarHBondContact O-N 2.83Å; C298-E300 PolarHBondContact O-N 2.81Å; C298-G535 WeakPolarHBondContact CA-O 2.96Å; C298-G535 PolarHBondContact SG-O 3.45Å; C298-G535 VanDerWaalsContact SG-O 3.42Å
299S70Confident74.8Confident49 Ų4946 Ų4634%0.34327%0.27SS..  trans-69.8110.5172.3-54.80000109.4
300E65.3Low73.5Confident150 Ų15046.2 Ų46.270%0.70127%0.271SS*.THydrogen-bonded Turntrans-76153.7178.2-63.5-167.9172.300111.9C298 I302C298-E300 PolarHBondContact O-N 2.81Å; E300-I302 VanDerWaalsContact C-N 3.32Å; E300-I302 PolarHBondContact O-N 2.81Å
301G56.8Low72.1Confident78 Ų7848.9 Ų48.980%0.80428%0.28SS*.THydrogen-bonded Turntrans78.63.8172.300000116.4
302I55.6Low70.8Confident68 Ų6853.4 Ų53.435%0.34930%0.301SS..  trans-77.6139.1176.4-56.6-173.1000110.5E300 G304 C305 V539E300-I302 VanDerWaalsContact C-N 3.32Å; E300-I302 PolarHBondContact O-N 2.81Å; I302-G304 PolarHBondContact O-N 3.24Å; I302-C305 PolarHBondContact O-N 2.81Å; I302-C305 VanDerWaalsContact O-N 3.15Å; I302-V539 HydrophobicContact CG2-CG2 4.31Å
303P52.6Low70.2Confident93 Ų9353.6 Ų53.660%0.60430%0.304SS*.THydrogen-bonded Turntrans-52.1123.4168.8-24.633.1000111.6V539P303-V539 HydrophobicContact CB-CG1 4.44Å; P303-V539 WeakPolarHBondContact O-CG2 3.05Å
304G56.4Low69.7Low20 Ų2055.1 Ų55.121%0.20631%0.314CS..THydrogen-bonded Turntrans105.2-6.3-177.300000114.7I302 Y507I302-G304 PolarHBondContact O-N 3.24Å; G304-Y507 WeakPolarHBondContact O-CD1 3.48Å
305C62.6Low69.5Low52 Ų5255.4 Ų55.435%0.35132%0.316SS..PPolyproline II helixtrans-63.5132.7166.2-170.70000109.9I302I302-C305 PolarHBondContact O-N 2.81Å; I302-C305 VanDerWaalsContact O-N 3.15Å
306P66.6Low69.1Low10 Ų1051 Ų517%0.06530%0.299CS..PPolyproline II helixtrans-59.314317522.2-33.4000112.4F226 F310 Y507 W537F226-P306 HydrophobicContact CE2-CB 4.29Å; F226-P306 HydrophobicContact CE2-CG 3.63Å; F226-P306 HydrophobicContact CZ-CB 4.48Å; F226-P306 HydrophobicContact CZ-CG 3.48Å; F226-P306 VanDerWaalsContact CZ-CG 3.48Å; P306-F310 HydrophobicContact CB-CD1 4.48Å; P306-F310 HydrophobicContact CB-CD2 4.1Å; P306-F310 HydrophobicContact CB-CE1 3.73Å; P306-F310 HydrophobicContact CB-CE2 3.26Å; P306-F310 HydrophobicContact CB-CZ 3.05Å; P306-F310 HydrophobicContact CG-CZ 4.28Å; P306-Y507 HydrophobicContact CB-CD1 3.93Å; P306-Y507 HydrophobicContact CB-CD2 4.34Å; P306-Y507 HydrophobicContact CB-CE1 3.98Å; P306-Y507 HydrophobicContact CB-CE2 4.43Å; P306-Y507 HydrophobicContact CB-CG 4.1Å; P306-Y507 HydrophobicContact CG-CD1 4.5Å; P306-W537 HydrophobicContact CG-CD2 4.28Å; P306-W537 HydrophobicContact CG-CE3 4.3Å; P306-W537 HydrophobicContact CG-CH2 3.72Å; P306-W537 HydrophobicContact CG-CZ2 3.69Å; P306-W537 HydrophobicContact CG-CZ3 4.03Å
307P65.3Low68.8Low31 Ų3151.8 Ų51.820%0.20130%0.304CS..PPolyproline II helixtrans-56.1153.4169.514.6-25.8000112.2D309 F310 T363 Y507P307-D309 VanDerWaalsContact C-N 3.3Å; P307-D309 WeakPolarHBondContact CB-OD1 3.5Å; P307-D309 PolarHBondContact O-N 3.16Å; P307-F310 HydrophobicContact CG-CD2 4.37Å; P307-F310 HydrophobicContact CG-CE2 3.77Å; P307-F310 WeakPolarHBondContact O-CD2 3.22Å; P307-F310 VanDerWaalsContact O-CE2 3.29Å; P307-F310 WeakPolarHBondContact O-CE2 2.99Å; P307-T363 HydrophobicContact CB-CG2 3.95Å; P307-T363 HydrophobicContact CG-CG2 3.73Å; P307-Y507 WeakPolarHBondContact CD-OH 3.43Å
308I61.8Low68.2Low49 Ų4946.7 Ų46.725%0.25128%0.281SS..SBendtrans-69.7-28.1-171.9-169.6-172.3000112.5P268 R270 F310P268-I308 HydrophobicContact CB-CD1 3.85Å; P268-I308 HydrophobicContact CB-CG1 3.68Å; P268-I308 WeakPolarHBondContact CB-O 3.27Å; P268-I308 HydrophobicContact CG-CB 4.46Å; P268-I308 HydrophobicContact CG-CD1 3.46Å; P268-I308 VanDerWaalsContact CG-CD1 3.46Å; P268-I308 HydrophobicContact CG-CG1 3.64Å; P268-I308 HydrophobicContact CG-CG2 4.17Å; R270-I308 HydrophobicContact CG-CB 4.38Å; R270-I308 HydrophobicContact CG-CD1 3.52Å; R270-I308 HydrophobicContact CG-CG1 3.46Å; R270-I308 VanDerWaalsContact CG-CG1 3.46Å; R270-I308 VanDerWaalsContact NE-CG1 3.33Å; I308-F310 PolarHBondContact O-N 3.42Å
309D57.4Low67.5Low41 Ų4149 Ų4922%0.21930%0.296CS..  trans-84.542.7-172.952-41.4000113.7Y264 P307 Y311 T363Y264-D309 HydrophobicContact CD2-CB 3.28Å; Y264-D309 HydrophobicContact CE2-CB 3.35Å; Y264-D309 HydrophobicContact CG-CB 4.26Å; P307-D309 VanDerWaalsContact C-N 3.3Å; P307-D309 WeakPolarHBondContact CB-OD1 3.5Å; P307-D309 PolarHBondContact O-N 3.16Å; D309-Y311 PolarHBondContact O-N 3.09Å; D309-T363 HydrophobicContact CB-CG2 4.39Å; D309-T363 VanDerWaalsContact OD1-CG2 3.25Å; D309-T363 WeakPolarHBondContact OD1-CG2 3.13Å; D309-T363 VanDerWaalsContact OD2-CB 3.28Å; D309-T363 WeakPolarHBondContact OD2-CB 3.42Å; D309-T363 WeakPolarHBondContact OD2-CG2 3.42Å
310F61.7Low67.3Low9 Ų950.7 Ų50.74%0.03930%0.295CS..  trans-68.296.3179.5-97-133.1000112.4F226 P306 P307 I308 A313 V358 S360 Y507F226-F310 HydrophobicContact CD2-CB 4.31Å; F226-F310 HydrophobicContact CD2-CD1 4.04Å; F226-F310 HydrophobicContact CD2-CG 4.27Å; F226-F310 HydrophobicContact CE2-CD1 4.25Å; P306-F310 HydrophobicContact CB-CD1 4.48Å; P306-F310 HydrophobicContact CB-CD2 4.1Å; P306-F310 HydrophobicContact CB-CE1 3.73Å; P306-F310 HydrophobicContact CB-CE2 3.26Å; P306-F310 HydrophobicContact CB-CZ 3.05Å; P306-F310 HydrophobicContact CG-CZ 4.28Å; P307-F310 HydrophobicContact CG-CD2 4.37Å; P307-F310 HydrophobicContact CG-CE2 3.77Å; P307-F310 WeakPolarHBondContact O-CD2 3.22Å; P307-F310 VanDerWaalsContact O-CE2 3.29Å; P307-F310 WeakPolarHBondContact O-CE2 2.99Å; I308-F310 PolarHBondContact O-N 3.42Å; F310-A313 HydrophobicContact CB-CB 4.49Å; F310-A313 HydrophobicContact CD1-CB 3.45Å; F310-A313 VanDerWaalsContact CD1-CB 3.45Å; F310-A313 HydrophobicContact CE1-CB 4.1Å; F310-A313 HydrophobicContact CG-CB 4.36Å; F310-V358 HydrophobicContact CD1-CG1 4.22Å; F310-V358 HydrophobicContact CE1-CG1 3.76Å; F310-S360 WeakPolarHBondContact CE1-OG 3.47Å; F310-S360 WeakPolarHBondContact CZ-OG 3.15Å; F310-Y507 HydrophobicContact CE1-CD2 4.11Å; F310-Y507 HydrophobicContact CE1-CE2 4.21Å; F310-Y507 HydrophobicContact CE2-CE2 4.25Å; F310-Y507 AromaticContact CZ-CD2 3.65Å; F310-Y507 HydrophobicContact CZ-CD2 3.65Å; F310-Y507 AromaticContact CZ-CE2 3.37Å; F310-Y507 HydrophobicContact CZ-CE2 3.37Å; F310-Y507 HydrophobicContact CZ-CG 4.42Å; F310-Y507 AromaticContact CZ-CZ 3.89Å
311Y60.5Low67.1Low79 Ų7948.5 Ų48.531%0.3129%0.288SS..  trans-92.3141.8162.4-75.7-75000110.6N228 Y264 H265 D309 A313N228-Y311 PolarHBondContact ND2-OH 3.44Å; N228-Y311 VanDerWaalsContact ND2-OH 3.09Å; Y264-Y311 AromaticContact CD2-CE2 4Å; Y264-Y311 HydrophobicContact CD2-CE2 4Å; Y264-Y311 HydrophobicContact CE2-CD2 4.05Å; Y264-Y311 AromaticContact CE2-CE2 3.21Å; Y264-Y311 HydrophobicContact CE2-CE2 3.21Å; Y264-Y311 AromaticContact CE2-CZ 3.8Å; Y264-Y311 AromaticContact CZ-CE2 3.85Å; Y264-Y311 AromaticContact CZ-CZ 3.94Å; Y264-Y311 PolarHBondContact OH-OH 2.82Å; H265-Y311 PolarHBondContact O-OH 2.98Å; H265-Y311 VanDerWaalsContact O-OH 3.12Å; D309-Y311 PolarHBondContact O-N 3.09Å; Y311-A313 PolarHBondContact O-N 3.1Å; Y311-A313 VanDerWaalsContact O-N 3.12Å
312H62.7Low67.1Low98 Ų9852.7 Ų52.745%0.45429%0.286SS..SBendtrans56.929.2171.5-54.4-67.7000115.5
313A76.4Confident67.3Low13 Ų1356.9 Ų56.911%0.10731%0.305CS..  trans-68.8148.8170.800000110.7S213 F310 Y311 V358 I359S213-A313 WeakPolarHBondContact OG-CB 3.39Å; S213-A313 PolarHBondContact OG-O 3.32Å; F310-A313 HydrophobicContact CB-CB 4.49Å; F310-A313 HydrophobicContact CD1-CB 3.45Å; F310-A313 VanDerWaalsContact CD1-CB 3.45Å; F310-A313 HydrophobicContact CE1-CB 4.1Å; F310-A313 HydrophobicContact CG-CB 4.36Å; Y311-A313 PolarHBondContact O-N 3.1Å; Y311-A313 VanDerWaalsContact O-N 3.12Å; A313-V358 HydrophobicContact CB-CG1 4Å; A313-I359 CarbonylContact C-O 3.4Å; A313-I359 WeakPolarHBondContact CA-O 2.96Å
314T81.7Confident67.5Low38 Ų3854.6 Ų54.623%0.23329%0.287CS..EExtended strand (participates in β ladder)trans-125.1131.1167.5-48.20000108.8V358 I359 C560T314-V358 WeakPolarHBondContact O-CA 3.37Å; T314-I359 PolarHBondContact N-O 3.04Å; T314-I359 PolarHBondContact O-N 2.92Å; T314-C560 HydrophobicContact CG2-CB 4.45Å; T314-C560 WeakPolarHBondContact CG2-SG 3.49Å
315A86Confident67.9Low6 Ų657.8 Ų57.85%0.0530%0.295CS..EExtended strand (participates in β ladder)trans-104144.6177.700000110.3C215 L225 V356 V357 V358C215-A315 HydrophobicContact CB-CB 4.2Å; C215-A315 VanDerWaalsContact CB-O 3.28Å; C215-A315 WeakPolarHBondContact CB-O 3.3Å; L225-A315 HydrophobicContact CD1-CB 3.63Å; A315-V356 HydrophobicContact CB-CG1 4.14Å; A315-V357 CarbonylContact C-O 3.56Å; A315-V357 WeakPolarHBondContact CA-O 3Å; A315-V358 HydrophobicContact CB-CG2 4.29Å
316V84.8Confident67.8Low14 Ų1459.4 Ų59.49%0.08531%0.307CS..EExtended strand (participates in β ladder)trans-138.7126.6179.21740000108.5V356 V357 C560 F562 L567V316-V356 WeakPolarHBondContact O-CA 3.47Å; V316-V357 PolarHBondContact N-O 3.09Å; V316-V357 PolarHBondContact O-N 3.21Å; V316-C560 WeakPolarHBondContact CG2-SG 3.31Å; V316-F562 HydrophobicContact CG1-CB 3.35Å; V316-F562 HydrophobicContact CG1-CD2 4.18Å; V316-F562 HydrophobicContact CG1-CG 3.88Å; V316-L567 HydrophobicContact CB-CD1 4.46Å; V316-L567 HydrophobicContact CG2-CD1 3.86Å
317S84.9Confident67.5Low23 Ų2365.2 Ų65.216%0.16133%0.334CS..EExtended strand (participates in β ladder)trans-78.6132.6169.8-169.70000110A216A216-S317 WeakPolarHBondContact O-CB 3.49Å
318L78.8Confident67.4Low21 Ų2164.8 Ų64.811%0.1133%0.329CS..EExtended strand (participates in β ladder)trans-89.8147.2173.5-57.5-171.8000110.3Y320 T355 V357 F562 L659L318-Y320 PolarHBondContact O-N 3.34Å; L318-T355 WeakPolarHBondContact CB-O 3.24Å; L318-T355 HydrophobicContact CD1-CG2 3.89Å; L318-T355 HydrophobicContact CG-CG2 4.41Å; L318-T355 PolarHBondContact N-O 3.01Å; L318-V357 HydrophobicContact CD1-CG2 3.67Å; L318-V357 HydrophobicContact CD2-CG2 4.08Å; L318-V357 HydrophobicContact CG-CG2 3.88Å; L318-F562 HydrophobicContact CD2-CD2 3.69Å; L318-F562 HydrophobicContact CD2-CE2 3.42Å; L318-F562 VanDerWaalsContact CD2-CE2 3.42Å; L318-F562 HydrophobicContact CD2-CG 4.49Å; L318-F562 HydrophobicContact CD2-CZ 4.08Å; L318-L659 HydrophobicContact CD1-CB 4.03Å; L318-L659 HydrophobicContact CD1-CD1 4.25Å; L318-L659 HydrophobicContact CD2-CD1 4.16Å
319P70.4Confident67.6Low87 Ų8764.1 Ų64.157%0.56533%0.326SS*.PPolyproline II helixtrans-56.4136.8171.6-20.829.8000110.4F562P319-F562 HydrophobicContact CG-CD1 4.45Å; P319-F562 HydrophobicContact CG-CE1 3.41Å; P319-F562 VanDerWaalsContact CG-CE1 3.41Å; P319-F562 HydrophobicContact CG-CZ 3.83Å
320Y66.2Low67.7Low84 Ų8465.9 Ų65.933%0.32935%0.346SS..PPolyproline II helixtrans-69.1138.8179.3-171.7-115.6000112L318 K325 V353L318-Y320 PolarHBondContact O-N 3.34Å; Y320-K325 HydrophobicContact CE1-CB 4.28Å; Y320-K325 HydrophobicContact CE1-CD 4.44Å; Y320-K325 WeakPolarHBondContact OH-CA 3.35Å; Y320-K325 WeakPolarHBondContact OH-CB 2.88Å; Y320-K325 WeakPolarHBondContact OH-CG 3.22Å; Y320-K325 PolarHBondContact OH-N 3.04Å; Y320-V353 HydrophobicContact CD2-CB 4.21Å; Y320-V353 HydrophobicContact CD2-CG1 4.41Å; Y320-V353 WeakPolarHBondContact CD2-O 3.38Å; Y320-V353 HydrophobicContact CE2-CB 3.41Å; Y320-V353 VanDerWaalsContact CE2-CB 3.41Å; Y320-V353 HydrophobicContact CE2-CG1 3.59Å; Y320-V353 HydrophobicContact CE2-CG2 4.46Å; Y320-V353 WeakPolarHBondContact CE2-O 3.3Å
321L59.4Low67.6Low104 Ų10473.6 Ų73.655%0.54538%0.38SS..  trans-110.4117171.1-73161.5000107.7E323 N324L321-E323 PolarHBondContact O-N 3.34Å; L321-E323 VanDerWaalsContact O-N 3.12Å; L321-N324 WeakPolarHBondContact O-CB 3.41Å; L321-N324 PolarHBondContact O-N 3.38Å
322E58.5Low67.6Low166 Ų16671.1 Ų71.178%0.77637%0.372SS*.THydrogen-bonded Turntrans-54.3-32.9-178.4-80-168.5151.600113.3N324 K325E322-N324 PolarHBondContact O-N 3.15Å; E322-N324 VanDerWaalsContact O-N 3.08Å; E322-K325 VanDerWaalsContact O-CB 3.25Å; E322-K325 WeakPolarHBondContact O-CB 3.38Å; E322-K325 PolarHBondContact O-N 3.23Å
323E57.9Low67Low157 Ų15770.2 Ų70.273%0.73438%0.377SS*.Hα-helixtrans-55.1-28.7177.2-65.8-177.8174.900113.1L321L321-E323 PolarHBondContact O-N 3.34Å; L321-E323 VanDerWaalsContact O-N 3.12Å
324N57.8Low65.7Low44 Ų4476.3 Ų76.324%0.23541%0.407CS..Hα-helixtrans-80.8-16.8179.3-68.1-20.5000112.9L321 E322 L328L321-N324 WeakPolarHBondContact O-CB 3.41Å; L321-N324 PolarHBondContact O-N 3.38Å; E322-N324 PolarHBondContact O-N 3.15Å; E322-N324 VanDerWaalsContact O-N 3.08Å; N324-L328 HydrophobicContact CB-CD1 4.18Å; N324-L328 WeakPolarHBondContact O-CB 3.31Å; N324-L328 WeakPolarHBondContact O-CG 3.25Å; N324-L328 PolarHBondContact O-N 2.84Å
325K63.8Low64.1Low87 Ų8777.2 Ų77.238%0.37841%0.409SS..Hα-helixtrans-59.2-56.2-177.9-160.5162.7-179.3178.10111.5Y320 E322 Q327 L328 L329Y320-K325 HydrophobicContact CE1-CB 4.28Å; Y320-K325 HydrophobicContact CE1-CD 4.44Å; Y320-K325 WeakPolarHBondContact OH-CA 3.35Å; Y320-K325 WeakPolarHBondContact OH-CB 2.88Å; Y320-K325 WeakPolarHBondContact OH-CG 3.22Å; Y320-K325 PolarHBondContact OH-N 3.04Å; E322-K325 VanDerWaalsContact O-CB 3.25Å; E322-K325 WeakPolarHBondContact O-CB 3.38Å; E322-K325 PolarHBondContact O-N 3.23Å; K325-Q327 VanDerWaalsContact C-N 3.3Å; K325-Q327 PolarHBondContact O-N 3.38Å; K325-L328 PolarHBondContact O-N 2.81Å; K325-L329 HydrophobicContact CD-CD1 4.37Å; K325-L329 HydrophobicContact CG-CD1 3.63Å; K325-L329 HydrophobicContact CG-CG 4.29Å; K325-L329 WeakPolarHBondContact O-CB 3.37Å; K325-L329 VanDerWaalsContact O-CG 3.28Å; K325-L329 WeakPolarHBondContact O-CG 3.31Å; K325-L329 PolarHBondContact O-N 2.83Å
326S61.5Low62.3Low87 Ų8781 Ų8161%0.60843%0.427SS*.Hα-helixtrans-63.4-39.1-174.7-480000111.1A330S326-A330 WeakPolarHBondContact O-CB 3.28Å; S326-A330 PolarHBondContact O-N 2.88Å
327Q61Low60.1Low132 Ų13284.7 Ų84.762%0.61745%0.453SS*.Hα-helixtrans-70-40.8180-63.9-175.517.200112.8K325 K331K325-Q327 VanDerWaalsContact C-N 3.3Å; K325-Q327 PolarHBondContact O-N 3.38Å; Q327-K331 PolarHBondContact O-N 3.01Å
328L62Low57.9Low21 Ų2189 Ų8911%0.1148%0.478CS..Hα-helixtrans-73.2-44179.1-75.3163.5000111.2N324 K325 A330 K331 V353 N510 I512N324-L328 HydrophobicContact CB-CD1 4.18Å; N324-L328 WeakPolarHBondContact O-CB 3.31Å; N324-L328 WeakPolarHBondContact O-CG 3.25Å; N324-L328 PolarHBondContact O-N 2.84Å; K325-L328 PolarHBondContact O-N 2.81Å; L328-A330 PolarHBondContact O-N 3.41Å; L328-K331 PolarHBondContact O-N 2.75Å; L328-V353 HydrophobicContact CD1-CG1 3.47Å; L328-V353 VanDerWaalsContact CD1-CG1 3.47Å; L328-N510 HydrophobicContact CD2-CB 4.38Å; L328-I512 HydrophobicContact CB-CD1 4.33Å
329L66.7Low55.8Low35 Ų3593.3 Ų93.318%0.18351%0.508CS..Hα-helixtrans-66.2-36.2177-66.9177.6000112.4K325 K331 D332 H351 I512K325-L329 HydrophobicContact CD-CD1 4.37Å; K325-L329 HydrophobicContact CG-CD1 3.63Å; K325-L329 HydrophobicContact CG-CG 4.29Å; K325-L329 WeakPolarHBondContact O-CB 3.37Å; K325-L329 VanDerWaalsContact O-CG 3.28Å; K325-L329 WeakPolarHBondContact O-CG 3.31Å; K325-L329 PolarHBondContact O-N 2.83Å; L329-K331 VanDerWaalsContact C-N 3.29Å; L329-K331 PolarHBondContact O-N 2.95Å; L329-D332 PolarHBondContact O-N 2.73Å; L329-H351 HydrophobicContact CD2-CB 4.19Å; L329-I512 HydrophobicContact CD2-CG2 4.35Å
330A59.4Low54.1Low78 Ų7894.2 Ų94.265%0.64552%0.516SS*.Hα-helixtrans-66.1-28.4178.400000113.6S326 L328 D332S326-A330 WeakPolarHBondContact O-CB 3.28Å; S326-A330 PolarHBondContact O-N 2.88Å; L328-A330 PolarHBondContact O-N 3.41Å; A330-D332 VanDerWaalsContact C-N 3.28Å
331K60.5Low52.7Low171 Ų17196.8 Ų96.874%0.74354%0.536SS*.Hα-helixtrans-72-23.2176.4-78.4-178.8177.5-177.80113.2Q327 L328 L329Q327-K331 PolarHBondContact O-N 3.01Å; L328-K331 PolarHBondContact O-N 2.75Å; L329-K331 VanDerWaalsContact C-N 3.29Å; L329-K331 PolarHBondContact O-N 2.95Å
332D59Low51.6Low27 Ų2798.9 Ų98.914%0.14455%0.547CS..THydrogen-bonded Turntrans-115.239.9-170.2-90.5-29.5000112.7L329 A330 N334 F335 I512 K534L329-D332 PolarHBondContact O-N 2.73Å; A330-D332 VanDerWaalsContact C-N 3.28Å; D332-N334 PolarHBondContact O-N 2.67Å; D332-F335 HydrophobicContact CB-CB 4.23Å; D332-F335 WeakPolarHBondContact O-CB 3.25Å; D332-F335 PolarHBondContact O-N 3.02Å; D332-I512 HydrophobicContact CB-CD1 4.43Å; D332-I512 WeakPolarHBondContact OD2-CD1 3.36Å; D332-K534 IonicContact OD1-NZ 3.77Å; D332-K534 PolarHBondContact OD1-NZ 2.88Å; D332-K534 IonicContact OD2-NZ 3.54Å; D332-K534 PolarHBondContact OD2-NZ 3.48Å
333S51.4Low50.5Low79 Ų7998.2 Ų98.255%0.55255%0.554SS**G310 helixtrans-50.2-29.5176.755.10000113.9F335 I336S333-F335 VanDerWaalsContact C-N 3.29Å; S333-F335 PolarHBondContact O-N 2.84Å; S333-I336 PolarHBondContact O-N 2.87Å
334N48.8Very low49.5Very low141 Ų14194.1 Ų94.175%0.75455%0.554SS**G310 helixtrans-70.1-19175.6-71.4-17.9000114.6D332 S337D332-N334 PolarHBondContact O-N 2.67Å; N334-S337 PolarHBondContact O-OG 2.88Å
335F47.3Very low48.7Very low58 Ų5896 Ų9625%0.25457%0.568SS.*G310 helixtrans-89.5-11.3177.9-129.9-97.9000112.5D332 S333 K532 K534D332-F335 HydrophobicContact CB-CB 4.23Å; D332-F335 WeakPolarHBondContact O-CB 3.25Å; D332-F335 PolarHBondContact O-N 3.02Å; S333-F335 VanDerWaalsContact C-N 3.29Å; S333-F335 PolarHBondContact O-N 2.84Å; F335-K532 HydrophobicContact CE1-CB 3.44Å; F335-K532 VanDerWaalsContact CE1-CB 3.44Å; F335-K532 HydrophobicContact CE1-CD 4.04Å; F335-K532 HydrophobicContact CE1-CG 4.37Å; F335-K532 HydrophobicContact CZ-CB 3.83Å; F335-K532 HydrophobicContact CZ-CD 4.2Å; F335-K534 HydrophobicContact CD2-CD 4.34Å; F335-K534 HydrophobicContact CE2-CB 4.27Å; F335-K534 HydrophobicContact CE2-CD 4.22Å; F335-K534 HydrophobicContact CZ-CB 4.06Å
336I48.5Very low47.6Very low84 Ų84100.4 Ų100.443%0.43160%0.595SS.*  trans-90.4-6.4-179.2-56.5173.9000111.3S333 V338S333-I336 PolarHBondContact O-N 2.87Å; I336-V338 VanDerWaalsContact C-N 3.34Å; I336-V338 PolarHBondContact O-N 2.91Å
337S38.2Very low47.2Very low92 Ų92101.5 Ų101.564%0.64359%0.591SS**  trans-63.993.1-178.951.50000111.5N334N334-S337 PolarHBondContact O-OG 2.88Å
338V38.8Very low47.2Very low113 Ų11399.1 Ų99.169%0.68559%0.588SS**  trans-60.4124.2162.4-178.10000106.2I336 S340I336-V338 VanDerWaalsContact C-N 3.34Å; I336-V338 PolarHBondContact O-N 2.91Å; V338-S340 PolarHBondContact O-N 2.81Å; V338-S340 VanDerWaalsContact O-N 3.11Å
339P35.8Very low47.8Very low113 Ų113101.5 Ų101.573%0.73460%0.604SS**  trans-59.6118.9170.1-14.527.6000107.5D341P339-D341 PolarHBondContact O-N 2.86Å
340S34.7Very low48.3Very low106 Ų106102.2 Ų102.274%0.74161%0.609SS**THydrogen-bonded Turntrans-72.39-174.352.10000114.8V338V338-S340 PolarHBondContact O-N 2.81Å; V338-S340 VanDerWaalsContact O-N 3.11Å
341D35.7Very low49.3Very low138 Ų138100.5 Ų100.574%0.73859%0.588SS**THydrogen-bonded Turntrans-114.68.2-162.2-71.66.7000115.5P339P339-D341 PolarHBondContact O-N 2.86Å
342D37.3Very low50.6Low147 Ų14794.4 Ų94.479%0.78656%0.564SS**  trans-111.284.1167.6-91.7-31.9000111.6G344D342-G344 VanDerWaalsContact C-N 3.33Å; D342-G344 PolarHBondContact O-N 2.92Å
343V34.8Very low51.9Low152 Ų15293.5 Ų93.592%0.92156%0.559SS**THydrogen-bonded Turntrans-65.291165-179.80000108
344G37Very low53.7Low71 Ų7190.5 Ų90.573%0.73254%0.535SS*.THydrogen-bonded Turntrans175.5-25.9173.300000118.5D342D342-G344 VanDerWaalsContact C-N 3.33Å; D342-G344 PolarHBondContact O-N 2.92Å
345T40.7Very low55.5Low85 Ų8584.6 Ų84.652%0.52151%0.505SS..  trans-140.1105.7-176.650.60000110.7H347T345-H347 VanDerWaalsContact CB-CD2 3.41Å; T345-H347 WeakPolarHBondContact CB-CD2 3.31Å; T345-H347 VanDerWaalsContact CB-NE2 3.32Å; T345-H347 WeakPolarHBondContact CB-NE2 3.2Å; T345-H347 PolarHBondContact O-N 3.04Å; T345-H347 PolarHBondContact OG1-CD2 2.86Å; T345-H347 PolarHBondContact OG1-NE2 2.79Å
346N41.4Very low57.3Low178 Ų17881.9 Ų81.995%0.95249%0.493SS*.  trans-65.272166.9-97-10.6000109.5S348N346-S348 PolarHBondContact O-N 2.9Å
347H51.3Low58.9Low111 Ų11177.9 Ų77.951%0.51447%0.472SS..  trans-79.5104.7169.9-70.4-51.8000107.8T345 V349T345-H347 VanDerWaalsContact CB-CD2 3.41Å; T345-H347 WeakPolarHBondContact CB-CD2 3.31Å; T345-H347 VanDerWaalsContact CB-NE2 3.32Å; T345-H347 WeakPolarHBondContact CB-NE2 3.2Å; T345-H347 PolarHBondContact O-N 3.04Å; T345-H347 PolarHBondContact OG1-CD2 2.86Å; T345-H347 PolarHBondContact OG1-NE2 2.79Å; H347-V349 PolarHBondContact O-N 3.25Å; H347-V349 VanDerWaalsContact O-N 3.14Å
348S62.7Low60.9Low81 Ų8173.5 Ų73.557%0.56644%0.442SS*.  trans-66.1111.1172.652.60000109N346 V350N346-S348 PolarHBondContact O-N 2.9Å; S348-V350 PolarHBondContact O-N 2.84Å
349V73.4Confident62.8Low72 Ų7268.3 Ų68.344%0.43641%0.41SS..EExtended strand (participates in β ladder)trans-73.5125.1171.6178.60000108.4H347H347-V349 PolarHBondContact O-N 3.25Å; H347-V349 VanDerWaalsContact O-N 3.14Å
350V77.7Confident64.6Low50 Ų5063 Ų6330%0.30338%0.375SS..EExtended strand (participates in β ladder)trans-97.8127.7178.2-177.30000109.2S348 S514 H515S348-V350 PolarHBondContact O-N 2.84Å; V350-S514 WeakPolarHBondContact O-CA 3.5Å; V350-H515 PolarHBondContact N-O 2.91Å; V350-H515 PolarHBondContact O-N 2.91Å; V350-H515 PolarHBondContact O-ND1 3.13Å; V350-H515 VanDerWaalsContact O-ND1 3.09Å
351H80.8Confident66.1Low42 Ų4259.4 Ų59.419%0.19435%0.347CS..EExtended strand (participates in β ladder)trans-106.7116.7177-62.1-72000111.3L329 Y513 S514L329-H351 HydrophobicContact CD2-CB 4.19Å; H351-Y513 WeakPolarHBondContact CA-O 3.28Å; H351-S514 PolarHBondContact CE1-OG 2.89Å; H351-S514 PolarHBondContact ND1-OG 3.06Å
352N86.8Confident67.3Low43 Ų4353 Ų5323%0.2331%0.313CS..EExtended strand (participates in β ladder)trans-102.1142.4170.8-64.851.1000108.8Y354 Y513 H515N352-Y354 HydrophobicContact CB-CE2 3.58Å; N352-Y354 WeakPolarHBondContact CB-OH 3.44Å; N352-Y354 PolarHBondContact ND2-OH 2.99Å; N352-Y513 HydrophobicContact CB-CD1 4.34Å; N352-Y513 PolarHBondContact N-O 2.96Å; N352-Y513 PolarHBondContact O-N 2.85Å; N352-H515 PolarHBondContact OD1-CE1 3.25Å; N352-H515 VanDerWaalsContact OD1-CE1 3.25Å
353V87.6Confident68.3Low7 Ų746.5 Ų46.54%0.04228%0.279CS..EExtended strand (participates in β ladder)trans-127.4129.3178.6179.10000108.3Y320 L328 I511 I512Y320-V353 HydrophobicContact CD2-CB 4.21Å; Y320-V353 HydrophobicContact CD2-CG1 4.41Å; Y320-V353 WeakPolarHBondContact CD2-O 3.38Å; Y320-V353 HydrophobicContact CE2-CB 3.41Å; Y320-V353 VanDerWaalsContact CE2-CB 3.41Å; Y320-V353 HydrophobicContact CE2-CG1 3.59Å; Y320-V353 HydrophobicContact CE2-CG2 4.46Å; Y320-V353 WeakPolarHBondContact CE2-O 3.3Å; L328-V353 HydrophobicContact CD1-CG1 3.47Å; L328-V353 VanDerWaalsContact CD1-CG1 3.47Å; V353-I511 CarbonylContact C-O 3.38Å; V353-I511 VanDerWaalsContact CA-O 3.27Å; V353-I511 WeakPolarHBondContact CA-O 3.41Å; V353-I512 HydrophobicContact CG2-CG1 4.37Å
354Y88.8Confident69.5Low16 Ų1642.5 Ų42.56%0.06326%0.255CS..EExtended strand (participates in β ladder)trans-124.3144.4-178.8-52.1-80.5000109.9L217 D218 R221 N352 N510 I511L217-Y354 HydrophobicContact CB-CD1 3.83Å; L217-Y354 HydrophobicContact CB-CE1 3.72Å; L217-Y354 HydrophobicContact CB-CE2 4.49Å; L217-Y354 HydrophobicContact CB-CG 4.25Å; L217-Y354 HydrophobicContact CD1-CD2 4.03Å; L217-Y354 HydrophobicContact CD1-CE2 4.14Å; L217-Y354 HydrophobicContact CD1-CG 4.3Å; L217-Y354 HydrophobicContact CD2-CD1 4.24Å; L217-Y354 HydrophobicContact CD2-CG 4.03Å; L217-Y354 HydrophobicContact CG-CD1 4.47Å; L217-Y354 HydrophobicContact CG-CG 4.43Å; D218-Y354 HydrophobicContact CB-CE1 4.49Å; D218-Y354 PolarHBondContact OD2-OH 2.77Å; R221-Y354 WeakPolarHBondContact CD-OH 3.37Å; N352-Y354 HydrophobicContact CB-CE2 3.58Å; N352-Y354 WeakPolarHBondContact CB-OH 3.44Å; N352-Y354 PolarHBondContact ND2-OH 2.99Å; Y354-N510 CarbonylContact O-C 3.6Å; Y354-N510 WeakPolarHBondContact O-CA 3.39Å; Y354-I511 HydrophobicContact CD2-CB 4.45Å; Y354-I511 HydrophobicContact CD2-CG2 4.48Å; Y354-I511 PolarHBondContact N-O 2.84Å; Y354-I511 PolarHBondContact O-N 2.8Å
355T86.4Confident70.5Confident18 Ų1842 Ų4211%0.1124%0.244CC..EExtended strand (participates in β ladder)trans-115.3120.9168-62.40000107.6L318 T508 N510L318-T355 WeakPolarHBondContact CB-O 3.24Å; L318-T355 HydrophobicContact CD1-CG2 3.89Å; L318-T355 HydrophobicContact CG-CG2 4.41Å; L318-T355 PolarHBondContact N-O 3.01Å; T355-T508 HydrophobicContact CG2-CG2 3.57Å; T355-N510 WeakPolarHBondContact CG2-OD1 3.47Å; T355-N510 PolarHBondContact OG1-OD1 2.68Å
356V85.7Confident71.3Confident0 Ų039.2 Ų39.20%023%0.225CC..EExtended strand (participates in β ladder)trans-116131.9-176.3178.90000108.7L217 L223 A315 V316 V358 T508 L509 I511L217-V356 HydrophobicContact CD2-CG2 3.74Å; L223-V356 HydrophobicContact CD2-CB 4.27Å; L223-V356 HydrophobicContact CD2-CG1 3.9Å; L223-V356 HydrophobicContact CD2-CG2 3.79Å; A315-V356 HydrophobicContact CB-CG1 4.14Å; V316-V356 WeakPolarHBondContact O-CA 3.47Å; V356-V358 HydrophobicContact CG1-CG2 4.24Å; V356-T508 CarbonylContact O-C 3.55Å; V356-T508 WeakPolarHBondContact O-CA 3.31Å; V356-L509 HydrophobicContact CB-CB 4.4Å; V356-L509 PolarHBondContact N-O 3.15Å; V356-L509 PolarHBondContact O-N 2.92Å; V356-I511 HydrophobicContact CG2-CD1 4.18Å
357V82Confident72.2Confident1 Ų132.7 Ų32.71%0.00619%0.19CC..EExtended strand (participates in β ladder)trans-105.4125.5175.3173.20000108.3A315 V316 L318 I359 L506 Y507 L659A315-V357 CarbonylContact C-O 3.56Å; A315-V357 WeakPolarHBondContact CA-O 3Å; V316-V357 PolarHBondContact N-O 3.09Å; V316-V357 PolarHBondContact O-N 3.21Å; L318-V357 HydrophobicContact CD1-CG2 3.67Å; L318-V357 HydrophobicContact CD2-CG2 4.08Å; L318-V357 HydrophobicContact CG-CG2 3.88Å; V357-I359 HydrophobicContact CG1-CG1 4.3Å; V357-L506 HydrophobicContact CG1-CD1 3.19Å; V357-L506 HydrophobicContact CG1-CD2 4.36Å; V357-L506 HydrophobicContact CG1-CG 3.91Å; V357-Y507 CarbonylContact C-O 3.56Å; V357-Y507 WeakPolarHBondContact CA-O 3.35Å; V357-L659 HydrophobicContact CG1-CD2 4.34Å; V357-L659 HydrophobicContact CG2-CB 4.33Å; V357-L659 HydrophobicContact CG2-CD1 4.14Å; V357-L659 HydrophobicContact CG2-CD2 4.34Å
358V80.2Confident72.6Confident0 Ų032 Ų320%019%0.19CC..EExtended strand (participates in β ladder)trans-111.3117.7177.7-173.20000107.9L225 F310 A313 T314 A315 V356 L506 Y507 W537L225-V358 HydrophobicContact CD2-CG2 3.81Å; F310-V358 HydrophobicContact CD1-CG1 4.22Å; F310-V358 HydrophobicContact CE1-CG1 3.76Å; A313-V358 HydrophobicContact CB-CG1 4Å; T314-V358 WeakPolarHBondContact O-CA 3.37Å; A315-V358 HydrophobicContact CB-CG2 4.29Å; V356-V358 HydrophobicContact CG1-CG2 4.24Å; V358-L506 WeakPolarHBondContact O-CA 3.17Å; V358-Y507 PolarHBondContact N-O 2.97Å; V358-Y507 PolarHBondContact O-N 3.44Å; V358-W537 HydrophobicContact CG2-CH2 3.9Å; V358-W537 HydrophobicContact CG2-CZ3 4.12Å
359I77.8Confident72.2Confident4 Ų431.5 Ų31.52%0.02118%0.179CC..EExtended strand (participates in β ladder)trans-102.5123.3175.2-49.5121.4000106.5A313 T314 V357 L504 A505 L506 F558 C560 L567 L569A313-I359 CarbonylContact C-O 3.4Å; A313-I359 WeakPolarHBondContact CA-O 2.96Å; T314-I359 PolarHBondContact N-O 3.04Å; T314-I359 PolarHBondContact O-N 2.92Å; V357-I359 HydrophobicContact CG1-CG1 4.3Å; I359-L504 HydrophobicContact CG2-CB 4.23Å; I359-L504 HydrophobicContact CG2-CD1 4.19Å; I359-L504 HydrophobicContact CG2-CD2 4.47Å; I359-A505 CarbonylContact C-O 3.48Å; I359-A505 WeakPolarHBondContact CA-O 3.22Å; I359-L506 HydrophobicContact CB-CD1 4.37Å; I359-L506 HydrophobicContact CG1-CD1 3.47Å; I359-L506 VanDerWaalsContact CG1-CD1 3.47Å; I359-F558 HydrophobicContact CB-CE2 4.2Å; I359-F558 HydrophobicContact CB-CZ 3.91Å; I359-F558 HydrophobicContact CG2-CE1 4.33Å; I359-F558 HydrophobicContact CG2-CE2 4.07Å; I359-F558 HydrophobicContact CG2-CZ 3.6Å; I359-C560 HydrophobicContact CD1-CB 4.38Å; I359-L567 HydrophobicContact CD1-CD1 3.73Å; I359-L567 HydrophobicContact CD1-CD2 3.37Å; I359-L567 HydrophobicContact CD1-CG 4.13Å; I359-L567 HydrophobicContact CG1-CD2 3.78Å; I359-L569 HydrophobicContact CD1-CD2 4.35Å
360S73.8Confident71.4Confident0 Ų028.8 Ų28.80%016%0.164CC..EExtended strand (participates in β ladder)trans-135171.917872.60000111.5F310 A505F310-S360 WeakPolarHBondContact CE1-OG 3.47Å; F310-S360 WeakPolarHBondContact CZ-OG 3.15Å; S360-A505 PolarHBondContact N-O 3.37Å; S360-A505 PolarHBondContact O-N 2.8Å
361Q67.1Low70.4Confident31 Ų3128.2 Ų28.215%0.14517%0.165CC..PPolyproline II helixtrans-86.2134167.7-64.5-174.7-2200109.5T363 L504 L556Q361-T363 PolarHBondContact O-N 3.31Å; Q361-L504 HydrophobicContact CG-CD2 4.26Å; Q361-L556 VanDerWaalsContact NE2-CA 3.28Å
362P60.5Low69.3Low4 Ų431.4 Ų31.43%0.02618%0.178CC..PPolyproline II helixtrans-53.5134.6171.3-23.630.9000110.5L366 L367 P503 A505P362-L366 HydrophobicContact CB-CB 4.26Å; P362-L366 HydrophobicContact CB-CD2 3.82Å; P362-L366 HydrophobicContact CB-CG 4.44Å; P362-L366 HydrophobicContact CG-CD2 4.36Å; P362-L367 HydrophobicContact CB-CD1 4.36Å; P362-L367 HydrophobicContact CB-CD2 3.63Å; P362-L367 HydrophobicContact CB-CG 3.75Å; P362-L367 HydrophobicContact CG-CD2 4.09Å; P362-P503 WeakPolarHBondContact CD-O 2.68Å; P362-P503 HydrophobicContact CG-CG 4.04Å; P362-P503 WeakPolarHBondContact CG-O 2.95Å; P362-A505 HydrophobicContact CG-CB 4.15Å
363T58.7Low67.7Low11 Ų1132 Ų327%0.06718%0.18CC..PPolyproline II helixtrans-75.4160.4168.265.10000108.7P307 D309 Q361 A365 L366 L367P307-T363 HydrophobicContact CB-CG2 3.95Å; P307-T363 HydrophobicContact CG-CG2 3.73Å; D309-T363 HydrophobicContact CB-CG2 4.39Å; D309-T363 VanDerWaalsContact OD1-CG2 3.25Å; D309-T363 WeakPolarHBondContact OD1-CG2 3.13Å; D309-T363 VanDerWaalsContact OD2-CB 3.28Å; D309-T363 WeakPolarHBondContact OD2-CB 3.42Å; D309-T363 WeakPolarHBondContact OD2-CG2 3.42Å; Q361-T363 PolarHBondContact O-N 3.31Å; T363-A365 PolarHBondContact O-N 2.9Å; T363-L366 WeakPolarHBondContact O-CB 3.38Å; T363-L366 PolarHBondContact O-N 3.12Å; T363-L366 PolarHBondContact OG1-N 2.9Å; T363-L367 WeakPolarHBondContact O-CG 3.32Å; T363-L367 PolarHBondContact O-N 3.16Å
364T59.5Low66.1Low68 Ų6837.4 Ų37.442%0.41720%0.199SC..Hα-helixtrans-54.6-39.2175.245.10000111.3L366 L367 D368T364-L366 PolarHBondContact O-N 2.92Å; T364-L367 PolarHBondContact O-N 3.03Å; T364-D368 PolarHBondContact O-N 2.7Å
365A57Low64.7Low61 Ų6144 Ų4450%0.50422%0.224SC..Hα-helixtrans-59.9-42.3174.800000113.2T363 D368 E369T363-A365 PolarHBondContact O-N 2.9Å; A365-D368 PolarHBondContact O-N 2.97Å; A365-E369 PolarHBondContact O-N 2.8Å; A365-E369 VanDerWaalsContact O-N 3.08Å
366L57.7Low63.3Low25 Ų2549.4 Ų49.413%0.13124%0.243CC..Hα-helixtrans-66-39.9177.2-169.371.1000111.4P362 T363 T364 E369 A370 A505 Y507 Y545P362-L366 HydrophobicContact CB-CB 4.26Å; P362-L366 HydrophobicContact CB-CD2 3.82Å; P362-L366 HydrophobicContact CB-CG 4.44Å; P362-L366 HydrophobicContact CG-CD2 4.36Å; T363-L366 WeakPolarHBondContact O-CB 3.38Å; T363-L366 PolarHBondContact O-N 3.12Å; T363-L366 PolarHBondContact OG1-N 2.9Å; T364-L366 PolarHBondContact O-N 2.92Å; L366-E369 PolarHBondContact O-N 3.45Å; L366-A370 WeakPolarHBondContact O-CB 3.06Å; L366-A370 PolarHBondContact O-N 3.35Å; L366-A505 HydrophobicContact CD2-CB 3.75Å; L366-Y507 VanDerWaalsContact CD2-OH 3.26Å; L366-Y507 WeakPolarHBondContact CD2-OH 3.49Å; L366-Y545 HydrophobicContact CD1-CE1 3.76Å; L366-Y545 HydrophobicContact CG-CE1 4.19Å
367L59.8Low61.6Low42 Ų4257.1 Ų57.122%0.2227%0.272CS..Hα-helixtrans-65.9-39.7177.3-64.1170.6000112P362 T363 T364 E369 A370 A371 R502 P503P362-L367 HydrophobicContact CB-CD1 4.36Å; P362-L367 HydrophobicContact CB-CD2 3.63Å; P362-L367 HydrophobicContact CB-CG 3.75Å; P362-L367 HydrophobicContact CG-CD2 4.09Å; T363-L367 WeakPolarHBondContact O-CG 3.32Å; T363-L367 PolarHBondContact O-N 3.16Å; T364-L367 PolarHBondContact O-N 3.03Å; L367-E369 VanDerWaalsContact C-N 3.34Å; L367-A370 WeakPolarHBondContact O-CB 3.47Å; L367-A370 PolarHBondContact O-N 3.37Å; L367-A371 WeakPolarHBondContact O-CB 3.5Å; L367-A371 PolarHBondContact O-N 2.77Å; L367-R502 HydrophobicContact CD1-CB 4.46Å; L367-R502 HydrophobicContact CD1-CG 3.81Å; L367-P503 HydrophobicContact CD2-CG 4.2Å
368D60.2Low60.5Low96 Ų9661.3 Ų61.351%0.51330%0.295SS..Hα-helixtrans-64.4-41.5175.8-76.1-22.2000111.4T364 A365 A371 K372T364-D368 PolarHBondContact O-N 2.7Å; A365-D368 PolarHBondContact O-N 2.97Å; D368-A371 PolarHBondContact O-N 3.2Å; D368-K372 WeakPolarHBondContact O-CG 3.3Å; D368-K372 PolarHBondContact O-N 3.26Å
369E55.6Low59.9Low70 Ų7068.9 Ų68.933%0.32732%0.323SS..Hα-helixtrans-66.2-43.3177.1-163.155.4-147.400111.5A365 L366 L367 A371 K372 Q373A365-E369 PolarHBondContact O-N 2.8Å; A365-E369 VanDerWaalsContact O-N 3.08Å; L366-E369 PolarHBondContact O-N 3.45Å; L367-E369 VanDerWaalsContact C-N 3.34Å; E369-A371 VanDerWaalsContact C-N 3.28Å; E369-A371 PolarHBondContact O-N 2.92Å; E369-K372 WeakPolarHBondContact O-CB 3.39Å; E369-K372 PolarHBondContact O-N 2.84Å; E369-K372 VanDerWaalsContact O-N 3.17Å; E369-K372 WeakPolarHBondContact OE2-CD 3.23Å; E369-K372 IonicContact OE2-NZ 3.58Å; E369-K372 PolarHBondContact OE2-NZ 3.41Å; E369-Q373 WeakPolarHBondContact O-CG 3.33Å; E369-Q373 PolarHBondContact O-N 2.86Å
370A55.4Low59.1Low16 Ų1672.6 Ų72.613%0.13234%0.342CS..Hα-helixtrans-53.1-46.1170.100000111.9L366 L367 Q373 R374 Y545L366-A370 WeakPolarHBondContact O-CB 3.06Å; L366-A370 PolarHBondContact O-N 3.35Å; L367-A370 WeakPolarHBondContact O-CB 3.47Å; L367-A370 PolarHBondContact O-N 3.37Å; A370-Q373 PolarHBondContact O-N 3.37Å; A370-R374 WeakPolarHBondContact O-CB 3.41Å; A370-R374 PolarHBondContact O-N 3Å; A370-Y545 HydrophobicContact CB-CD1 3.39Å; A370-Y545 HydrophobicContact CB-CE1 4.19Å; A370-Y545 HydrophobicContact CB-CG 3.76Å
371A57.5Low58.5Low38 Ų3877.3 Ų77.331%0.31436%0.362SS..Hα-helixtrans-67.6-36.5179.800000112.6L367 D368 E369 R375L367-A371 WeakPolarHBondContact O-CB 3.5Å; L367-A371 PolarHBondContact O-N 2.77Å; D368-A371 PolarHBondContact O-N 3.2Å; E369-A371 VanDerWaalsContact C-N 3.28Å; E369-A371 PolarHBondContact O-N 2.92Å; A371-R375 WeakPolarHBondContact O-CG 3.12Å; A371-R375 PolarHBondContact O-N 3.42Å; A371-R375 PolarHBondContact O-NE 3.07Å
372K58.1Low58.2Low108 Ų10880.6 Ų80.647%0.4738%0.38SS..Hα-helixtrans-63.8-46.1172.9-72.2178.2-151154.80111.2D368 E369 R374 R375 Y376D368-K372 WeakPolarHBondContact O-CG 3.3Å; D368-K372 PolarHBondContact O-N 3.26Å; E369-K372 WeakPolarHBondContact O-CB 3.39Å; E369-K372 PolarHBondContact O-N 2.84Å; E369-K372 VanDerWaalsContact O-N 3.17Å; E369-K372 WeakPolarHBondContact OE2-CD 3.23Å; E369-K372 IonicContact OE2-NZ 3.58Å; E369-K372 PolarHBondContact OE2-NZ 3.41Å; K372-R374 VanDerWaalsContact C-N 3.34Å; K372-R374 PolarHBondContact O-N 2.81Å; K372-R375 WeakPolarHBondContact O-CB 3.47Å; K372-R375 PolarHBondContact O-N 3.34Å; K372-R375 VanDerWaalsContact O-N 3.15Å; K372-Y376 PolarHBondContact O-N 2.99Å
373Q52.3Low58.2Low56 Ų5684.2 Ų84.226%0.26240%0.4SS..Hα-helixtrans-64.1-39.6178.7-67.4-165.311.200111.9E369 A370 R375 Y376 W377 Y545E369-Q373 WeakPolarHBondContact O-CG 3.33Å; E369-Q373 PolarHBondContact O-N 2.86Å; A370-Q373 PolarHBondContact O-N 3.37Å; Q373-R375 VanDerWaalsContact C-N 3.33Å; Q373-R375 PolarHBondContact O-N 3.13Å; Q373-Y376 WeakPolarHBondContact O-CB 3.29Å; Q373-Y376 PolarHBondContact O-N 3.21Å; Q373-Y376 VanDerWaalsContact O-N 3.16Å; Q373-W377 WeakPolarHBondContact O-CB 3.26Å; Q373-W377 PolarHBondContact O-N 2.86Å; Q373-Y545 HydrophobicContact CG-CD2 4.47Å; Q373-Y545 HydrophobicContact CG-CE2 4.42Å; Q373-Y545 VanDerWaalsContact NE2-CE2 3.3Å
374R53.6Low58.2Low121 Ų12187 Ų8746%0.45742%0.419SS..Hα-helixtrans-57.9-44.9171.6-166.9-179.7-157.8160.48.6112A370 K372 Y376 W377 N378A370-R374 WeakPolarHBondContact O-CB 3.41Å; A370-R374 PolarHBondContact O-N 3Å; K372-R374 VanDerWaalsContact C-N 3.34Å; K372-R374 PolarHBondContact O-N 2.81Å; R374-Y376 VanDerWaalsContact C-N 3.34Å; R374-Y376 PolarHBondContact O-N 3.07Å; R374-W377 PolarHBondContact O-N 3.1Å; R374-N378 VanDerWaalsContact O-CB 3.31Å; R374-N378 WeakPolarHBondContact O-CB 3.37Å; R374-N378 VanDerWaalsContact O-CG 3.22Å; R374-N378 PolarHBondContact O-N 3.13Å
375R59.7Low57.9Low154 Ų15488.1 Ų88.158%0.58142%0.42SS*.Hα-helixtrans-64-37.8176-76.5-176.6-87.7-176.4-8.1112.2A371 K372 Q373 R379A371-R375 WeakPolarHBondContact O-CG 3.12Å; A371-R375 PolarHBondContact O-N 3.42Å; A371-R375 PolarHBondContact O-NE 3.07Å; K372-R375 WeakPolarHBondContact O-CB 3.47Å; K372-R375 PolarHBondContact O-N 3.34Å; K372-R375 VanDerWaalsContact O-N 3.15Å; Q373-R375 VanDerWaalsContact C-N 3.33Å; Q373-R375 PolarHBondContact O-N 3.13Å; R375-R379 WeakPolarHBondContact O-CG 3.32Å; R375-R379 PolarHBondContact O-N 3.27Å; R375-R379 PolarHBondContact O-NE 3.03Å; R375-R379 VanDerWaalsContact O-NE 3.13Å
376Y57.8Low57.7Low132 Ų13289.5 Ų89.552%0.51842%0.418SS..Hα-helixtrans-65.3-47.3173.7177.2-96.5000111.7K372 Q373 R374 R379 M380K372-Y376 PolarHBondContact O-N 2.99Å; Q373-Y376 WeakPolarHBondContact O-CB 3.29Å; Q373-Y376 PolarHBondContact O-N 3.21Å; Q373-Y376 VanDerWaalsContact O-N 3.16Å; R374-Y376 VanDerWaalsContact C-N 3.34Å; R374-Y376 PolarHBondContact O-N 3.07Å; Y376-R379 WeakPolarHBondContact O-CB 3.49Å; Y376-R379 PolarHBondContact O-N 3.2Å; Y376-R379 VanDerWaalsContact O-N 3.16Å; Y376-M380 HydrophobicContact CD1-CG 4.19Å; Y376-M380 HydrophobicContact CE1-CG 3.74Å; Y376-M380 HydrophobicContact CE2-CE 3.79Å; Y376-M380 HydrophobicContact CE2-CG 4.45Å; Y376-M380 PolarHBondContact O-N 2.92Å
377W49.3Very low57.4Low161 Ų16193.1 Ų93.161%0.6144%0.438SS*.Hα-helixtrans-69.9-38.4-177.1-149.381.8000112.7Q373 R374 R379 M380 K381Q373-W377 WeakPolarHBondContact O-CB 3.26Å; Q373-W377 PolarHBondContact O-N 2.86Å; R374-W377 PolarHBondContact O-N 3.1Å; W377-R379 VanDerWaalsContact C-N 3.26Å; W377-R379 PolarHBondContact O-N 3.49Å; W377-M380 PolarHBondContact O-N 3.44Å; W377-M380 VanDerWaalsContact O-N 3.15Å; W377-K381 HydrophobicContact CZ3-CD 4.02Å; W377-K381 WeakPolarHBondContact O-CB 3.25Å; W377-K381 PolarHBondContact O-N 3.05Å
378N59.8Low57Low90 Ų9094.5 Ų94.548%0.48145%0.451SS..Hα-helixtrans-59-40171.3-75.7-11.3000111.1R374 L382R374-N378 VanDerWaalsContact O-CB 3.31Å; R374-N378 WeakPolarHBondContact O-CB 3.37Å; R374-N378 VanDerWaalsContact O-CG 3.22Å; R374-N378 PolarHBondContact O-N 3.13Å; N378-L382 VanDerWaalsContact O-CB 3.31Å; N378-L382 WeakPolarHBondContact O-CB 3.28Å; N378-L382 PolarHBondContact O-N 2.88Å
379R66.4Low56.3Low158 Ų15894.5 Ų94.560%0.59645%0.45SS*.Hα-helixtrans-64.7-43.6173.5-76-178.5-75.7-172.21.4112R375 Y376 W377 L382 N383R375-R379 WeakPolarHBondContact O-CG 3.32Å; R375-R379 PolarHBondContact O-N 3.27Å; R375-R379 PolarHBondContact O-NE 3.03Å; R375-R379 VanDerWaalsContact O-NE 3.13Å; Y376-R379 WeakPolarHBondContact O-CB 3.49Å; Y376-R379 PolarHBondContact O-N 3.2Å; Y376-R379 VanDerWaalsContact O-N 3.16Å; W377-R379 VanDerWaalsContact C-N 3.26Å; W377-R379 PolarHBondContact O-N 3.49Å; R379-L382 PolarHBondContact O-N 3.02Å; R379-N383 WeakPolarHBondContact O-CB 3.48Å; R379-N383 PolarHBondContact O-N 3.38Å; R379-N383 PolarHBondContact O-OD1 2.93Å
380M62.2Low55.8Low83 Ų8394.8 Ų94.841%0.40946%0.457SS..Hα-helixtrans-63.2-42.6177-73.8-68139.600112.5Y376 W377 N383 S384Y376-M380 HydrophobicContact CD1-CG 4.19Å; Y376-M380 HydrophobicContact CE1-CG 3.74Å; Y376-M380 HydrophobicContact CE2-CE 3.79Å; Y376-M380 HydrophobicContact CE2-CG 4.45Å; Y376-M380 PolarHBondContact O-N 2.92Å; W377-M380 PolarHBondContact O-N 3.44Å; W377-M380 VanDerWaalsContact O-N 3.15Å; M380-N383 PolarHBondContact O-N 3.02Å; M380-S384 WeakPolarHBondContact O-CB 3.48Å; M380-S384 PolarHBondContact O-N 2.89Å
381K59.5Low55.3Low98 Ų98102.6 Ų102.643%0.42649%0.488SS..Hα-helixtrans-64.7-47.3176.9-169.2178.9178-1750111W377 N383 S384 E385W377-K381 HydrophobicContact CZ3-CD 4.02Å; W377-K381 WeakPolarHBondContact O-CB 3.25Å; W377-K381 PolarHBondContact O-N 3.05Å; K381-N383 VanDerWaalsContact C-N 3.31Å; K381-N383 PolarHBondContact O-N 3.34Å; K381-S384 PolarHBondContact O-N 3.23Å; K381-S384 VanDerWaalsContact O-N 3.11Å; K381-S384 PolarHBondContact O-OG 3.08Å; K381-E385 WeakPolarHBondContact CE-OE1 3.26Å; K381-E385 WeakPolarHBondContact O-CG 3.32Å; K381-E385 PolarHBondContact O-N 3.06Å
382L61.8Low54.5Low100 Ų100107.8 Ų107.852%0.52451%0.506SS..Hα-helixtrans-60.6-41176.4-149.5108.7000111.4N378 R379 E385 L386N378-L382 VanDerWaalsContact O-CB 3.31Å; N378-L382 WeakPolarHBondContact O-CB 3.28Å; N378-L382 PolarHBondContact O-N 2.88Å; R379-L382 PolarHBondContact O-N 3.02Å; L382-E385 PolarHBondContact O-N 2.84Å; L382-L386 HydrophobicContact CD2-CD1 3.67Å; L382-L386 HydrophobicContact CG-CD1 4.18Å; L382-L386 WeakPolarHBondContact O-CB 3.01Å; L382-L386 WeakPolarHBondContact O-CD1 3.48Å; L382-L386 PolarHBondContact O-N 3.24Å
383N59.8Low53.5Low81 Ų81108.5 Ų108.543%0.43352%0.515SS..Hα-helixtrans-65.2-37.7174.8-74-7.2000112.3R379 M380 K381 E385 N387R379-N383 WeakPolarHBondContact O-CB 3.48Å; R379-N383 PolarHBondContact O-N 3.38Å; R379-N383 PolarHBondContact O-OD1 2.93Å; M380-N383 PolarHBondContact O-N 3.02Å; K381-N383 VanDerWaalsContact C-N 3.31Å; K381-N383 PolarHBondContact O-N 3.34Å; N383-E385 VanDerWaalsContact C-N 3.33Å; N383-N387 VanDerWaalsContact O-CB 3.29Å; N383-N387 WeakPolarHBondContact O-CB 3.16Å; N383-N387 PolarHBondContact O-N 3.26Å; N383-N387 PolarHBondContact O-ND2 2.98Å
384S58.9Low52.7Low69 Ų69112.7 Ų112.748%0.48354%0.539SS..Hα-helixtrans-66.9-35.3174.776.30000112.3M380 K381 S388M380-S384 WeakPolarHBondContact O-CB 3.48Å; M380-S384 PolarHBondContact O-N 2.89Å; K381-S384 PolarHBondContact O-N 3.23Å; K381-S384 VanDerWaalsContact O-N 3.11Å; K381-S384 PolarHBondContact O-OG 3.08Å; S384-S388 PolarHBondContact O-N 3.44Å; S384-S388 VanDerWaalsContact O-N 3.08Å
385E54.4Low51.7Low91 Ų91111.6 Ų111.643%0.42555%0.55SS..Hα-helixtrans-71.1-45.8174.9-72.1173.1-170.500111K381 L382 N383 N387 S388 I389K381-E385 WeakPolarHBondContact CE-OE1 3.26Å; K381-E385 WeakPolarHBondContact O-CG 3.32Å; K381-E385 PolarHBondContact O-N 3.06Å; L382-E385 PolarHBondContact O-N 2.84Å; N383-E385 VanDerWaalsContact C-N 3.33Å; E385-N387 PolarHBondContact O-N 3.08Å; E385-S388 WeakPolarHBondContact O-CB 3.1Å; E385-S388 PolarHBondContact O-N 2.84Å; E385-S388 VanDerWaalsContact O-N 3.12Å; E385-S388 PolarHBondContact O-OG 3.06Å; E385-I389 WeakPolarHBondContact O-CG1 3.46Å; E385-I389 PolarHBondContact O-N 3.41Å; E385-I389 VanDerWaalsContact O-N 3.07Å
386L52.2Low50.5Low91 Ų91110.8 Ų110.848%0.47656%0.562SS.*Hα-helixtrans-59.5-46.6173.8-97.7126.8000111.7L382 S388 I389 T390L382-L386 HydrophobicContact CD2-CD1 3.67Å; L382-L386 HydrophobicContact CG-CD1 4.18Å; L382-L386 WeakPolarHBondContact O-CB 3.01Å; L382-L386 WeakPolarHBondContact O-CD1 3.48Å; L382-L386 PolarHBondContact O-N 3.24Å; L386-S388 PolarHBondContact O-N 2.82Å; L386-I389 WeakPolarHBondContact O-CA 3.42Å; L386-I389 WeakPolarHBondContact O-CB 2.79Å; L386-I389 PolarHBondContact O-N 3.13Å; L386-T390 PolarHBondContact O-N 3.1Å; L386-T390 PolarHBondContact O-OG1 3.17Å
387N51.4Low49.2Very low100 Ų100107.9 Ų107.954%0.53557%0.572SS.*Hα-helixtrans-61.9-33.6176.4-74-15.1000111.7N383 E385 I389 T390 F391N383-N387 VanDerWaalsContact O-CB 3.29Å; N383-N387 WeakPolarHBondContact O-CB 3.16Å; N383-N387 PolarHBondContact O-N 3.26Å; N383-N387 PolarHBondContact O-ND2 2.98Å; E385-N387 PolarHBondContact O-N 3.08Å; N387-I389 VanDerWaalsContact C-N 3.3Å; N387-I389 PolarHBondContact O-N 3.09Å; N387-T390 PolarHBondContact O-N 3.13Å; N387-F391 VanDerWaalsContact O-CD2 3.26Å; N387-F391 WeakPolarHBondContact O-CD2 3.32Å; N387-F391 PolarHBondContact O-N 3.15Å
388S50.2Low48.4Very low71 Ų71109.3 Ų109.350%0.49759%0.585SS.*Hα-helixtrans-68-28.4173.579.10000113.5S384 E385 L386S384-S388 PolarHBondContact O-N 3.44Å; S384-S388 VanDerWaalsContact O-N 3.08Å; E385-S388 WeakPolarHBondContact O-CB 3.1Å; E385-S388 PolarHBondContact O-N 2.84Å; E385-S388 VanDerWaalsContact O-N 3.12Å; E385-S388 PolarHBondContact O-OG 3.06Å; L386-S388 PolarHBondContact O-N 2.82Å
389I45.8Very low47Very low96 Ų96113.3 Ų113.349%0.49261%0.607SS.*Hα-helixtrans-79-38.1175.8-64.2164.6000110.7E385 L386 N387 F391 Q392E385-I389 WeakPolarHBondContact O-CG1 3.46Å; E385-I389 PolarHBondContact O-N 3.41Å; E385-I389 VanDerWaalsContact O-N 3.07Å; L386-I389 WeakPolarHBondContact O-CA 3.42Å; L386-I389 WeakPolarHBondContact O-CB 2.79Å; L386-I389 PolarHBondContact O-N 3.13Å; N387-I389 VanDerWaalsContact C-N 3.3Å; N387-I389 PolarHBondContact O-N 3.09Å; I389-F391 PolarHBondContact O-N 3.11Å; I389-Q392 PolarHBondContact O-N 3.14Å
390T45.9Very low45.3Very low77 Ų77111.2 Ų111.247%0.47262%0.616SS.*Hα-helixtrans-63.7-31.4178.3-34.40000112.2L386 N387 Q392 N393L386-T390 PolarHBondContact O-N 3.1Å; L386-T390 PolarHBondContact O-OG1 3.17Å; N387-T390 PolarHBondContact O-N 3.13Å; T390-Q392 VanDerWaalsContact C-N 3.27Å; T390-Q392 PolarHBondContact O-N 3.3Å; T390-N393 PolarHBondContact O-N 3.4Å
391F43.8Very low43.6Very low180 Ų180118.5 Ų118.579%0.78964%0.639SS**Hα-helixtrans-72-14.7173.5-84.6-72.8000114.4N387 I389N387-F391 VanDerWaalsContact O-CD2 3.26Å; N387-F391 WeakPolarHBondContact O-CD2 3.32Å; N387-F391 PolarHBondContact O-N 3.15Å; I389-F391 PolarHBondContact O-N 3.11Å
392Q40.7Very low42Very low147 Ų147120 Ų12069%0.68766%0.656SS**Hα-helixtrans-87.6-22.9174.9-75.2-168.8-2000113.8I389 T390I389-Q392 PolarHBondContact O-N 3.14Å; T390-Q392 VanDerWaalsContact C-N 3.27Å; T390-Q392 PolarHBondContact O-N 3.3Å
393N38.5Very low40.5Very low122 Ų122120.9 Ų120.965%0.65267%0.671SS**Hα-helixtrans-91.1-10.4-176.2-76-9.6000114.7T390T390-N393 PolarHBondContact O-N 3.4Å
394N35.6Very low38.9Very low145 Ų145123.8 Ų123.878%0.77569%0.687SS**THydrogen-bonded Turntrans-94.713.1180-78.2-3.1000114.6
395S33Very low37.5Very low98 Ų98127.3 Ų127.369%0.68570%0.7SS**  trans-116.151.8171.274.70000112
396V33.4Very low36.3Very low137 Ų137130 Ų13083%0.8372%0.717SS**  trans-136.697.5163.2-175.90000107.1
397G31.6Very low35.1Very low71 Ų71129.6 Ų129.673%0.73273%0.728SS**  trans145.970.1175.100000112.3
398Q31.5Very low33.9Very low191 Ų191131.3 Ų131.389%0.89374%0.737SS**  trans-159.396.8142.5-110171.69.500107.9S400Q398-S400 PolarHBondContact O-N 2.85Å
399D30.5Very low32.9Very low174 Ų174133.6 Ų133.693%0.9374%0.743SS**  trans-60.3118.8164.8-72.7-43000108.9
400S29.7Very low31.9Very low113 Ų113136.8 Ų136.879%0.7976%0.756SS**  trans-135.7117.6157.754.80000109.4Q398 T402Q398-S400 PolarHBondContact O-N 2.85Å; S400-T402 PolarHBondContact O-N 3.47Å
401R27.8Very low30.9Very low237 Ų237139.8 Ų139.889%0.89477%0.769SS**  trans-63.8126.3172.6-74.1173.9172.9166.2-3109.4
402T26.2Very low30.2Very low128 Ų128139.8 Ų139.879%0.78577%0.772SS**  trans29.3109.6136.5610000117.4S400S400-T402 PolarHBondContact O-N 3.47Å
403S29.6Very low29.5Very low120 Ų120141.2 Ų141.284%0.83978%0.778SS**  trans-153.1113.513254.60000107.6
404D26.8Very low28.9Very low142 Ų142142.4 Ų142.476%0.75978%0.78SS**  trans-63.3169.3166.9-67.4-55000111
405D28.8Very low28.3Very low142 Ų142145.5 Ų145.576%0.75978%0.781SS**  trans104.9126.3156.8-57.4-28000119
406D29.2Very low27.9Very low147 Ų147148.9 Ų148.979%0.78678%0.783SS**  trans73.4101.7152.5-58.6-24.5000118.1
407A27.1Very low27.5Very low84 Ų84149.9 Ų149.969%0.69478%0.779SS**  79135.373.600000112.7
408N25.8Very low27.1Very low136 Ų136150.7 Ų150.773%0.72777%0.773SS**  trans95.8129.9152.9-82.825000121.5
409D28.9Very low26.9Very low118 Ų118150.6 Ų150.663%0.63177%0.772SS**  trans80.1102.3141.3-53.4-15.1000116.5
410E24.9Very low26.6Very low163 Ų163146.7 Ų146.776%0.76276%0.758SS**  76.4123.177.5-76.8-168.5172.900112
411D26.1Very low26.3Very low140 Ų140147 Ų14775%0.74976%0.755SS**  trans60.5119.1149.3-58.4-22.2000120
412E29.1Very low26.1Very low180 Ų180142.6 Ų142.684%0.84175%0.75SS**  -176.9118.7104.1-100.6-177154.600111.5
413E25.9Very low26Very low177 Ų177143.3 Ų143.383%0.82775%0.747SS**  trans-59.9143.6146.7-67.3-179.6136.800109.8
414Q24.5Very low25.8Very low148 Ų148143.3 Ų143.369%0.69274%0.743SS**  trans166.6113.9131.6-91171.759.600110.3
415R23.5Very low25.5Very low210 Ų210144 Ų14479%0.79275%0.746SS**  77.9147.199.6-72.4-175.3172.7-174.4-2.5115.5
416K25.4Very low25.4Very low169 Ų169149.2 Ų149.274%0.73576%0.755SS**  trans88.5146.3158.3-54.6-176179.3172.50114.4
417H23.9Very low25.1Very low158 Ų158151.3 Ų151.373%0.73176%0.76SS**  cis-166.2158.6-13.3-107.9-43.1000105.8
418S23.2Very low25.1Very low88 Ų88153 Ų15362%0.61577%0.767SS**  trans-21139.4159.152.40000117.6
419H28.3Very low25.1Very low189 Ų189153.2 Ų153.288%0.87577%0.773SS**  -161.6155126.3-96.1-47.7000112.8
420S22.9Very low24.9Very low91 Ų91150.9 Ų150.964%0.63678%0.777SS**  trans-86.1-179.2-167.753.60000114.2
421T24.8Very low25.2Very low119 Ų119150 Ų15073%0.7378%0.776SS**  trans86.5106.4155.154.80000119.2
422D22.6Very low25.2Very low145 Ų145151.3 Ų151.378%0.77578%0.782SS**  71.8130.5120.7-74.5-13.2000122.5
423I25.7Very low25.3Very low144 Ų144151.1 Ų151.174%0.73878%0.781SS**  trans99.5102.6146.9-66.1154.6000118.6
424T23.5Very low25.5Very low120 Ų120150.3 Ų150.374%0.73678%0.782SS**  trans60.5116.3139.764.80000122.1
425D22.1Very low26Very low157 Ų157149.4 Ų149.484%0.8479%0.789SS**  trans28.3102.1134.4-68.5-20000118.6
426R25.3Very low27Very low250 Ų250142.9 Ų142.994%0.94378%0.775SS**  -163.2131.2126.1-112171178.4170.50.2112.1
427E23.2Very low28.1Very low192 Ų192138.7 Ų138.790%0.89777%0.767SS**  trans-51.1133.8176.6-61.3168.5136.600113.2
428S27.1Very low29Very low118 Ų118141.3 Ų141.383%0.82577%0.771SS**  trans-168.7107.8139.7280000110G430S428-G430 PolarHBondContact O-N 2.98Å
429T25.6Very low30.4Very low141 Ų141147.3 Ų147.387%0.86578%0.78SS**  trans-69.391.1177.648.30000111.1
430G26Very low31.6Very low69 Ų69140.5 Ų140.571%0.71176%0.756SS**  trans-95.682.4168.900000111.5S428 L432S428-G430 PolarHBondContact O-N 2.98Å; G430-L432 PolarHBondContact O-N 3.41Å; G430-L432 VanDerWaalsContact O-N 3.15Å
431I30Very low33Very low146 Ų146140 Ų14075%0.74975%0.747SS**  trans-78.398174.3-60.9176000108.5Q433I431-Q433 PolarHBondContact O-N 3.34Å
432L25.9Very low34.3Very low166 Ų166138.6 Ų138.687%0.86974%0.735SS**  trans-67.8105.7171.2-75.8159.7000110.1G430G430-L432 PolarHBondContact O-N 3.41Å; G430-L432 VanDerWaalsContact O-N 3.15Å
433Q31.8Very low36Very low176 Ų176141 Ų14182%0.82273%0.733SS**  trans-84.9110.9172.2-75.3-173.6-12.400110.4I431I431-Q433 PolarHBondContact O-N 3.34Å
434L30.9Very low37.2Very low161 Ų161142.6 Ų142.684%0.84373%0.73SS**  trans-71.2135.9172.4-81144.9000111S436L434-S436 PolarHBondContact O-N 3.4Å
435P35.6Very low38.5Very low128 Ų128139.4 Ų139.483%0.83172%0.715SS**  trans-74.2115.2-175-7.323.2000111.2
436S42.8Very low40Very low73 Ų73140.9 Ų140.951%0.5171%0.709SS.*  trans-72.5130174.360.50000111.1L434 N441L434-S436 PolarHBondContact O-N 3.4Å; S436-N441 PolarHBondContact OG-OD1 3.05Å
437S48.7Very low41.5Very low81 Ų81138.4 Ų138.457%0.56670%0.7SS**  trans-56.5149.1-174.376.50000114R439 A440 N441S437-R439 PolarHBondContact O-N 2.98Å; S437-A440 WeakPolarHBondContact O-CA 3.46Å; S437-A440 WeakPolarHBondContact O-CB 3.5Å; S437-A440 PolarHBondContact O-N 2.94Å; S437-N441 PolarHBondContact O-N 2.68Å
438R42.9Very low42.8Very low214 Ų214134.1 Ų134.181%0.80868%0.683SS**Hα-helixtrans-49.5-31.8-178-160.7175.1-177.2-176.91.4113.9N442R438-N442 PolarHBondContact O-N 2.69Å; R438-N442 VanDerWaalsContact O-N 3.09Å
439R53.9Low43.9Very low213 Ų213134.5 Ų134.580%0.80467%0.671SS**Hα-helixtrans-67.5-37.2174.9-77.6-176.8-176.7170.52.1112.9S437 N442 R443S437-R439 PolarHBondContact O-N 2.98Å; R439-N442 PolarHBondContact O-N 2.65Å; R439-R443 PolarHBondContact O-N 3.14Å
440A53Low45.3Very low46 Ų46130.5 Ų130.538%0.3865%0.652SS.*Hα-helixtrans-67-42.4176.900000111.2S437 N442 R443 R444S437-A440 WeakPolarHBondContact O-CA 3.46Å; S437-A440 WeakPolarHBondContact O-CB 3.5Å; S437-A440 PolarHBondContact O-N 2.94Å; A440-N442 PolarHBondContact O-N 2.73Å; A440-R443 PolarHBondContact O-N 3.33Å; A440-R444 PolarHBondContact O-N 2.77Å
441N51Low46.5Very low81 Ų81132.1 Ų132.143%0.43365%0.645SS.*Hα-helixtrans-62.7-42.6175.8-73.2-16.1000112S436 S437 R443 R444 A445S436-N441 PolarHBondContact OG-OD1 3.05Å; S437-N441 PolarHBondContact O-N 2.68Å; N441-R443 PolarHBondContact O-N 3.25Å; N441-R444 WeakPolarHBondContact O-CB 3.43Å; N441-R444 PolarHBondContact O-N 3.42Å; N441-R444 VanDerWaalsContact O-N 3.17Å; N441-A445 PolarHBondContact O-N 3.5Å
442N53.5Low47.1Very low90 Ų90127 Ų12748%0.48162%0.623SS.*Hα-helixtrans-64.5-37.7175.2-79.9-17.1000113R438 R439 A440 R444 A445 R446R438-N442 PolarHBondContact O-N 2.69Å; R438-N442 VanDerWaalsContact O-N 3.09Å; R439-N442 PolarHBondContact O-N 2.65Å; A440-N442 PolarHBondContact O-N 2.73Å; N442-R444 VanDerWaalsContact C-N 3.33Å; N442-A445 PolarHBondContact O-N 3.28Å; N442-R446 WeakPolarHBondContact O-CG 3.17Å; N442-R446 PolarHBondContact O-N 2.81Å; N442-R446 VanDerWaalsContact O-N 3.13Å
443R57.9Low48.2Very low196 Ų196122.5 Ų122.574%0.7460%0.6SS**Hα-helixtrans-64.3-38.2172.3-86.6-177.6176170.7-0.6112R439 A440 N441 R447R439-R443 PolarHBondContact O-N 3.14Å; A440-R443 PolarHBondContact O-N 3.33Å; N441-R443 PolarHBondContact O-N 3.25Å; R443-R447 PolarHBondContact O-N 3.41Å
444R50.8Low48.7Very low177 Ų177119.5 Ų119.567%0.66859%0.586SS**Hα-helixtrans-66.7-44.7176.9-170.4177.7-179.3-175-0.7111.5A440 N441 N442 R447 L448A440-R444 PolarHBondContact O-N 2.77Å; N441-R444 WeakPolarHBondContact O-CB 3.43Å; N441-R444 PolarHBondContact O-N 3.42Å; N441-R444 VanDerWaalsContact O-N 3.17Å; N442-R444 VanDerWaalsContact C-N 3.33Å; R444-R447 PolarHBondContact O-N 3.03Å; R444-L448 HydrophobicContact CG-CD1 4.27Å; R444-L448 WeakPolarHBondContact O-CG 3.33Å; R444-L448 PolarHBondContact O-N 2.94Å
445A49.9Very low49.1Very low53 Ų53117.5 Ų117.544%0.43857%0.572SS.*Hα-helixtrans-59.4-47.9177.500000112N441 N442 R447 L448 E449N441-A445 PolarHBondContact O-N 3.5Å; N442-A445 PolarHBondContact O-N 3.28Å; A445-R447 VanDerWaalsContact C-N 3.31Å; A445-R447 PolarHBondContact O-N 3.38Å; A445-L448 PolarHBondContact O-N 3.09Å; A445-L448 VanDerWaalsContact O-N 3.14Å; A445-E449 PolarHBondContact O-N 3.12Å
446R54.1Low49.3Very low188 Ų188119.7 Ų119.771%0.70956%0.564SS**Hα-helixtrans-62.7-35.1176.9-67.9-174.2-162.1-167.33.7113.1N442 A450N442-R446 WeakPolarHBondContact O-CG 3.17Å; N442-R446 PolarHBondContact O-N 2.81Å; N442-R446 VanDerWaalsContact O-N 3.13Å; R446-A450 WeakPolarHBondContact O-CB 3.2Å; R446-A450 PolarHBondContact O-N 2.85Å
447R56Low49.2Very low197 Ų197126.4 Ų126.474%0.74358%0.578SS**Hα-helixtrans-66.2-40.2174-85.7-178.6175.5165.7-1.2112R443 R444 A445 A450 L451R443-R447 PolarHBondContact O-N 3.41Å; R444-R447 PolarHBondContact O-N 3.03Å; A445-R447 VanDerWaalsContact C-N 3.31Å; A445-R447 PolarHBondContact O-N 3.38Å; R447-A450 PolarHBondContact O-N 2.91Å; R447-L451 WeakPolarHBondContact O-CG 3.49Å; R447-L451 PolarHBondContact O-N 3.44Å; R447-L451 VanDerWaalsContact O-N 3.07Å
448L51.2Low48.6Very low103 Ų103128 Ų12854%0.53958%0.58SS.*Hα-helixtrans-68.9-39.6178.2-71.2169.5000111.7R444 A445 L451 A452R444-L448 HydrophobicContact CG-CD1 4.27Å; R444-L448 WeakPolarHBondContact O-CG 3.33Å; R444-L448 PolarHBondContact O-N 2.94Å; A445-L448 PolarHBondContact O-N 3.09Å; A445-L448 VanDerWaalsContact O-N 3.14Å; L448-L451 PolarHBondContact O-N 2.93Å; L448-A452 WeakPolarHBondContact O-CB 3.41Å; L448-A452 PolarHBondContact O-N 3.24Å
449E50.1Low48.3Very low125 Ų125125.4 Ų125.458%0.58457%0.574SS**Hα-helixtrans-64.3-42.2174.7-169.3175.8-162.500111.7A445 L451 A452 I453A445-E449 PolarHBondContact O-N 3.12Å; E449-L451 VanDerWaalsContact C-N 3.32Å; E449-L451 PolarHBondContact O-N 3.42Å; E449-A452 PolarHBondContact O-N 3.37Å; E449-I453 HydrophobicContact CG-CD1 4.19Å; E449-I453 VanDerWaalsContact O-CG1 3.29Å; E449-I453 WeakPolarHBondContact O-CG1 3.16Å; E449-I453 PolarHBondContact O-N 2.94Å
450A54.7Low47.3Very low57 Ų57117.6 Ų117.647%0.47156%0.56SS.*Hα-helixtrans-60.9-39.3174.100000112.5R446 R447 Q454R446-A450 WeakPolarHBondContact O-CB 3.2Å; R446-A450 PolarHBondContact O-N 2.85Å; R447-A450 PolarHBondContact O-N 2.91Å; A450-Q454 WeakPolarHBondContact O-CB 3.11Å; A450-Q454 PolarHBondContact O-N 3.42Å
451L52Low46.3Very low104 Ų104119.2 Ų119.255%0.54557%0.569SS.*Hα-helixtrans-68.1-41.1174.8-72.2170.1000111.9R447 L448 E449 I453 Q454 E455R447-L451 WeakPolarHBondContact O-CG 3.49Å; R447-L451 PolarHBondContact O-N 3.44Å; R447-L451 VanDerWaalsContact O-N 3.07Å; L448-L451 PolarHBondContact O-N 2.93Å; E449-L451 VanDerWaalsContact C-N 3.32Å; E449-L451 PolarHBondContact O-N 3.42Å; L451-I453 VanDerWaalsContact C-N 3.34Å; L451-I453 PolarHBondContact O-N 3.33Å; L451-Q454 WeakPolarHBondContact O-CB 3.17Å; L451-Q454 PolarHBondContact O-N 2.82Å; L451-E455 WeakPolarHBondContact O-CB 3.41Å; L451-E455 PolarHBondContact O-N 2.9Å
452A43.2Very low45.4Very low37 Ų37126.2 Ų126.231%0.30659%0.589SS.*Hα-helixtrans-65.5-36.6177.200000112.3L448 E449 E455 R456L448-A452 WeakPolarHBondContact O-CB 3.41Å; L448-A452 PolarHBondContact O-N 3.24Å; E449-A452 PolarHBondContact O-N 3.37Å; A452-E455 PolarHBondContact O-N 2.96Å; A452-R456 PolarHBondContact O-N 3.23Å
453I47.3Very low44.3Very low73 Ų73128.2 Ų128.237%0.37460%0.6SS.*Hα-helixtrans-66.4-42.1172.6-68.1166.5000110.5E449 L451 E455 R456 R457E449-I453 HydrophobicContact CG-CD1 4.19Å; E449-I453 VanDerWaalsContact O-CG1 3.29Å; E449-I453 WeakPolarHBondContact O-CG1 3.16Å; E449-I453 PolarHBondContact O-N 2.94Å; L451-I453 VanDerWaalsContact C-N 3.34Å; L451-I453 PolarHBondContact O-N 3.33Å; I453-E455 VanDerWaalsContact C-N 3.31Å; I453-E455 PolarHBondContact O-N 3.46Å; I453-R456 PolarHBondContact O-N 3.16Å; I453-R457 WeakPolarHBondContact O-CG 3.49Å; I453-R457 PolarHBondContact O-N 3.18Å; I453-R457 VanDerWaalsContact O-N 3.09Å
454Q44Very low42.8Very low112 Ų112126.6 Ų126.652%0.52361%0.605SS.*Hα-helixtrans-63.7-38.1176.2-169.2177.4-0.300111.7A450 L451 R457 L458A450-Q454 WeakPolarHBondContact O-CB 3.11Å; A450-Q454 PolarHBondContact O-N 3.42Å; L451-Q454 WeakPolarHBondContact O-CB 3.17Å; L451-Q454 PolarHBondContact O-N 2.82Å; Q454-R457 PolarHBondContact O-N 3.17Å; Q454-L458 HydrophobicContact CG-CD1 4.09Å; Q454-L458 WeakPolarHBondContact O-CG 3.35Å; Q454-L458 PolarHBondContact O-N 3.07Å; Q454-L458 VanDerWaalsContact O-N 3.09Å
455E38.8Very low41.7Very low119 Ų119125.1 Ų125.156%0.55661%0.609SS**Hα-helixtrans-67.9-45.7177.6-159.4-172.1-148.800111.8L451 A452 I453 R457 L458 F459L451-E455 WeakPolarHBondContact O-CB 3.41Å; L451-E455 PolarHBondContact O-N 2.9Å; A452-E455 PolarHBondContact O-N 2.96Å; I453-E455 VanDerWaalsContact C-N 3.31Å; I453-E455 PolarHBondContact O-N 3.46Å; E455-R457 VanDerWaalsContact C-N 3.26Å; E455-R457 PolarHBondContact O-N 2.77Å; E455-L458 PolarHBondContact O-N 3.21Å; E455-L458 VanDerWaalsContact O-N 3.11Å; E455-F459 HydrophobicContact CG-CD2 3.75Å; E455-F459 HydrophobicContact CG-CE2 4.25Å; E455-F459 WeakPolarHBondContact O-CD2 3.2Å; E455-F459 PolarHBondContact O-N 2.72Å
456R38.5Very low40.6Very low174 Ų174128 Ų12866%0.65762%0.623SS**Hα-helixtrans-60.9-34175-77.2-177.2-1751421.6113A452 I453 G460A452-R456 PolarHBondContact O-N 3.23Å; I453-R456 PolarHBondContact O-N 3.16Å; R456-G460 PolarHBondContact O-N 2.98Å
457R41Very low39.4Very low215 Ų215126.3 Ų126.381%0.81163%0.628SS**Hα-helixtrans-70.5-34.3175-75.5178.5-179.9-173.70.5112.9I453 Q454 E455I453-R457 WeakPolarHBondContact O-CG 3.49Å; I453-R457 PolarHBondContact O-N 3.18Å; I453-R457 VanDerWaalsContact O-N 3.09Å; Q454-R457 PolarHBondContact O-N 3.17Å; E455-R457 VanDerWaalsContact C-N 3.26Å; E455-R457 PolarHBondContact O-N 2.77Å
458L37.4Very low38Very low115 Ų115120.8 Ų120.860%0.60263%0.633SS**Hα-helixtrans-82.5-35-177.3-79.6164.7000113.1Q454 E455Q454-L458 HydrophobicContact CG-CD1 4.09Å; Q454-L458 WeakPolarHBondContact O-CG 3.35Å; Q454-L458 PolarHBondContact O-N 3.07Å; Q454-L458 VanDerWaalsContact O-N 3.09Å; E455-L458 PolarHBondContact O-N 3.21Å; E455-L458 VanDerWaalsContact O-N 3.11Å
459F36.3Very low37Very low158 Ų158120 Ų12069%0.69364%0.641SS**Hα-helixtrans-115.7-1.5-165.8-63-68.9000115.3E455E455-F459 HydrophobicContact CG-CD2 3.75Å; E455-F459 HydrophobicContact CG-CE2 4.25Å; E455-F459 WeakPolarHBondContact O-CD2 3.2Å; E455-F459 PolarHBondContact O-N 2.72Å
460G32.2Very low35.9Very low49 Ų49120.9 Ų120.951%0.50565%0.649SS.*  trans65.9136.6178.200000112.1R456 R462R456-G460 PolarHBondContact O-N 2.98Å; G460-R462 PolarHBondContact O-N 2.96Å
461S31.4Very low34.5Very low81 Ų81123.6 Ų123.657%0.56667%0.672SS**  trans-62.3114.8168.6-67.50000107.9N463S461-N463 PolarHBondContact O-N 3.31Å
462R33.1Very low33.3Very low228 Ų228122.9 Ų122.986%0.8668%0.676SS**  trans-62.473.6160.4-79.9-175.8171.9-172.5-3.1108G460 L464G460-R462 PolarHBondContact O-N 2.96Å; R462-L464 VanDerWaalsContact C-N 3.35Å; R462-L464 PolarHBondContact O-N 3.12Å; R462-L464 VanDerWaalsContact O-N 3.07Å
463N29.7Very low32.5Very low132 Ų132126.5 Ų126.571%0.70670%0.699SS**  trans-72.5102.8164.5-79.4-9.2000105.3S461 I465S461-N463 PolarHBondContact O-N 3.31Å; N463-I465 VanDerWaalsContact C-N 3.33Å; N463-I465 PolarHBondContact O-N 2.82Å
464L28.1Very low31.4Very low161 Ų161133.4 Ų133.484%0.84373%0.726SS**  trans-36105.1152.7-74.3149.4000106.8R462 P466R462-L464 VanDerWaalsContact C-N 3.35Å; R462-L464 PolarHBondContact O-N 3.12Å; R462-L464 VanDerWaalsContact O-N 3.07Å; L464-P466 WeakPolarHBondContact O-CD 3.24Å
465I26Very low30.5Very low146 Ų146132.3 Ų132.375%0.74974%0.737SS**  trans-56.6108.4170.5-62.9167.2000104.3N463 N467N463-I465 VanDerWaalsContact C-N 3.33Å; N463-I465 PolarHBondContact O-N 2.82Å; I465-N467 PolarHBondContact O-N 2.94Å
466P27.4Very low29.8Very low115 Ų115138.1 Ų138.175%0.74775%0.754SS**  trans-70.1108.8170.9-4.223.2000103.6L464 G468L464-P466 WeakPolarHBondContact O-CD 3.24Å; P466-G468 PolarHBondContact O-N 2.99Å
467N28.5Very low29.1Very low152 Ų152135.5 Ų135.581%0.81376%0.762SS**  trans-43.2119.2170.4-83.3-20.9000108.1I465 A469I465-N467 PolarHBondContact O-N 2.94Å; N467-A469 PolarHBondContact O-N 3.23Å; N467-A469 VanDerWaalsContact O-N 3.16Å
468G27.1Very low28.3Very low81 Ų81134.5 Ų134.584%0.83576%0.764SS**  trans-55.3120.7177.900000109.5P466P466-G468 PolarHBondContact O-N 2.99Å
469A29.3Very low28.2Very low86 Ų86134.7 Ų134.771%0.71177%0.772SS**  trans-150.188.7155.400000106.9N467N467-A469 PolarHBondContact O-N 3.23Å; N467-A469 VanDerWaalsContact O-N 3.16Å
470N27.9Very low27.7Very low143 Ų143132.8 Ų132.877%0.76578%0.778SS**  trans48.788143.7-58.3-16.8000116.2S472N470-S472 PolarHBondContact O-N 3.11Å
471A25.4Very low27.3Very low114 Ų114137.9 Ų137.994%0.94279%0.794SS**  trans-62.484.5145.700000109.3
472S26Very low27Very low90 Ų90142.7 Ų142.763%0.62981%0.807SS**  trans-163.6140.5158.358.80000110N470N470-S472 PolarHBondContact O-N 3.11Å
473S27.2Very low26.6Very low112 Ų112136.7 Ų136.778%0.78380%0.8SS**  trans76.781.3176.578.90000117.3A475S473-A475 PolarHBondContact O-N 2.65Å
474F23.4Very low26.4Very low218 Ų218135.9 Ų135.996%0.95681%0.805SS**  trans-46.8113.9133-83.6-97.1000109.8
475A26.4Very low26.3Very low90 Ų90133.3 Ų133.374%0.74480%0.8SS**  trans-161.9119151.400000109.7S473S473-A475 PolarHBondContact O-N 2.65Å
476R22.5Very low26.2Very low241 Ų241133.5 Ų133.591%0.90980%0.803SS**  trans-62.4134172.1-63.4168.2178.9172.9-1.8110
477S24.7Very low26.2Very low118 Ų118136.3 Ų136.383%0.82581%0.806SS**  trans-155.8134.3146.650.30000110.8
478F24.5Very low26Very low194 Ų194136 Ų13685%0.85180%0.804SS**  trans-76.6166.6-172.3-85.6-89.7000112.8
479P34.9Very low25.9Very low120 Ų120140.8 Ų140.878%0.77981%0.805SS**  trans-85.3137.7-156.334-32.6000112.7
480S26.6Very low25.6Very low117 Ų117146.7 Ų146.782%0.81881%0.81SS**  trans-111.5111.4162.451.10000109.9
481N22.5Very low25.5Very low156 Ų156145.1 Ų145.183%0.83481%0.808SS**  trans-45.7134.6156.8-75.3-32.2000109.9
482Q25.9Very low25.5Very low183 Ų183144.2 Ų144.286%0.85579%0.794SS**  -179.8140.4124.2-97.6169.827.400113.4
483S25.3Very low25.5Very low102 Ų102146.8 Ų146.871%0.71380%0.801SS**  trans62.787.9153.357.70000118.9S485S483-S485 PolarHBondContact O-N 3.31Å
484S24Very low25.5Very low114 Ų114149.8 Ų149.880%0.79780%0.802SS**  trans-19.6111.4135.8520000115.2
485S26.6Very low25.7Very low107 Ų107144.8 Ų144.875%0.74879%0.79SS**  trans-118.1106.6150.552.90000107.7S483 H487S483-S485 PolarHBondContact O-N 3.31Å; S485-H487 VanDerWaalsContact C-N 3.34Å; S485-H487 PolarHBondContact O-N 3.08Å
486N24.7Very low25.7Very low150 Ų150148.7 Ų148.780%0.80279%0.79SS**  trans-68.988.8176.9-77.5-19.3000109.1
487H26.5Very low25.9Very low174 Ų174144.2 Ų144.281%0.80678%0.783SS**  trans-102102.9154.1-97.1-54.8000108.4S485 Q489S485-H487 VanDerWaalsContact C-N 3.34Å; S485-H487 PolarHBondContact O-N 3.08Å; H487-Q489 PolarHBondContact O-N 2.74Å
488N24.1Very low26.3Very low146 Ų146146 Ų14678%0.78178%0.778SS**  trans-56.185.3167.1-74.8-24.8000109.4Y490N488-Y490 PolarHBondContact O-N 3.24Å
489Q25.9Very low26.9Very low181 Ų181140.1 Ų140.185%0.84676%0.76SS**  trans-79.8105.7161.5-83.2-179-1100107.1H487H487-Q489 PolarHBondContact O-N 2.74Å
490Y22.4Very low27.3Very low210 Ų210137.5 Ų137.582%0.82475%0.749SS**  trans-45.7128.9165.6-79.8-95000109.2N488 S492N488-Y490 PolarHBondContact O-N 3.24Å; Y490-S492 PolarHBondContact O-N 3.09Å
491P26.4Very low28.4Very low111 Ų111138.6 Ų138.672%0.72174%0.737SS**  trans-65.4115.2-178.526.6-30.1000107.2N493P491-N493 VanDerWaalsContact C-N 3.35Å; P491-N493 PolarHBondContact O-N 2.99Å
492S25.5Very low29.9Very low94 Ų94135.8 Ų135.866%0.65771%0.714SS**  trans-55.8104.1167.952.80000106.9Y490 H494Y490-S492 PolarHBondContact O-N 3.09Å; S492-H494 VanDerWaalsContact C-N 3.27Å; S492-H494 PolarHBondContact O-N 3.19Å
493N25.7Very low31.5Very low145 Ų145127.8 Ų127.878%0.77568%0.678SS**  trans-54.498.9169.5-79.8-25.1000106.6P491 V495P491-N493 VanDerWaalsContact C-N 3.35Å; P491-N493 PolarHBondContact O-N 2.99Å; N493-V495 PolarHBondContact O-N 3Å
494H26.4Very low33.5Very low174 Ų174123.1 Ų123.181%0.80665%0.645SS**  trans-59.992161.6-82.9-83.2000105.3S492 K496S492-H494 VanDerWaalsContact C-N 3.27Å; S492-H494 PolarHBondContact O-N 3.19Å; H494-K496 PolarHBondContact O-N 2.95Å
495V27.8Very low35.6Very low114 Ų114117.8 Ų117.869%0.69161%0.608SS**  trans-58.895.7163.9178.50000104N493 L497N493-V495 PolarHBondContact O-N 3Å; V495-L497 HydrophobicContact CG1-CD1 4.3Å; V495-L497 PolarHBondContact O-N 3.25Å
496K25.6Very low37.8Very low172 Ų172113 Ų11375%0.74857%0.574SS**  trans-58.893.8160.3-90.6-178173.5-179.70104.3H494 E498H494-K496 PolarHBondContact O-N 2.95Å; K496-E498 HydrophobicContact CB-CG 4.5Å; K496-E498 PolarHBondContact O-N 3.49Å
497L27.7Very low40.3Very low146 Ų146106.5 Ų106.576%0.76454%0.538SS*.  trans-69.872.6167.3-155.179.2000105.5V495 C499V495-L497 HydrophobicContact CG1-CD1 4.3Å; V495-L497 PolarHBondContact O-N 3.25Å; L497-C499 PolarHBondContact O-N 2.96Å
498E32.8Very low42.7Very low155 Ų15598.3 Ų98.372%0.72450%0.5SS*.  trans-63.396.8164.8-79.6-174.7177.100104.7K496 A500K496-E498 HydrophobicContact CB-CG 4.5Å; K496-E498 PolarHBondContact O-N 3.49Å; E498-A500 VanDerWaalsContact C-N 3.27Å; E498-A500 PolarHBondContact O-N 2.79Å
499C36.3Very low45.5Very low71 Ų7191.3 Ų91.348%0.4846%0.463SS..  trans-53.398.7170.3-158.60000106.1L497 Y501L497-C499 PolarHBondContact O-N 2.96Å; C499-Y501 PolarHBondContact O-N 3.37Å
500A44.5Very low48.4Very low66 Ų6683.6 Ų83.655%0.54543%0.428SS..  trans-76.993.2-167.200000107.8E498 R502E498-A500 VanDerWaalsContact C-N 3.27Å; E498-A500 PolarHBondContact O-N 2.79Å; A500-R502 PolarHBondContact O-N 3.5Å
501Y48.9Very low51.6Low140 Ų14073.6 Ų73.655%0.54939%0.388SS..  trans-56.3106.1171.1-82.7-98.1000109.4C499 P503 P553C499-Y501 PolarHBondContact O-N 3.37Å; Y501-P503 WeakPolarHBondContact O-CD 3.03Å; Y501-P553 HydrophobicContact CD1-CB 3.99Å; Y501-P553 HydrophobicContact CE1-CB 3.96Å
502R54.5Low54.6Low97 Ų9768.8 Ų68.837%0.36636%0.356SS..  trans-96.4103.3167.6-56.8-179.1-169.5-154.72.2109.7L367 A500 E554L367-R502 HydrophobicContact CD1-CB 4.46Å; L367-R502 HydrophobicContact CD1-CG 3.81Å; A500-R502 PolarHBondContact O-N 3.5Å; R502-E554 HydrophobicContact CB-CG 3.64Å; R502-E554 WeakPolarHBondContact CB-OE1 3.46Å; R502-E554 WeakPolarHBondContact CD-OE1 3.5Å; R502-E554 HydrophobicContact CG-CG 4.3Å; R502-E554 WeakPolarHBondContact CG-OE1 3.39Å; R502-E554 IonicContact NE-OE1 2.65Å; R502-E554 WeakPolarHBondContact O-CG 3.46Å; R502-E554 PolarHBondContact O-N 3.49Å
503P59Low57.7Low14 Ų1464.3 Ų64.39%0.09133%0.325CS..  trans-65.8177.3176.726.6-36000112.8P362 L367 Y501 L548 A551P362-P503 WeakPolarHBondContact CD-O 2.68Å; P362-P503 HydrophobicContact CG-CG 4.04Å; P362-P503 WeakPolarHBondContact CG-O 2.95Å; L367-P503 HydrophobicContact CD2-CG 4.2Å; Y501-P503 WeakPolarHBondContact O-CD 3.03Å; P503-L548 HydrophobicContact CB-CB 3.63Å; P503-L548 WeakPolarHBondContact CB-O 3.01Å; P503-L548 HydrophobicContact CG-CB 3.54Å; P503-L548 HydrophobicContact CG-CD1 4.45Å; P503-L548 HydrophobicContact CG-CG 4.43Å; P503-A551 HydrophobicContact CB-CB 4.16Å
504L67.4Low60.7Low5 Ų557.9 Ų57.93%0.02629%0.291CS..  trans-92.2138.9167.4-67.9174.9000109.6I359 Q361 L548 A551 F558 L569I359-L504 HydrophobicContact CG2-CB 4.23Å; I359-L504 HydrophobicContact CG2-CD1 4.19Å; I359-L504 HydrophobicContact CG2-CD2 4.47Å; Q361-L504 HydrophobicContact CG-CD2 4.26Å; L504-L548 WeakPolarHBondContact O-CD2 3.21Å; L504-A551 HydrophobicContact CB-CB 4.07Å; L504-F558 HydrophobicContact CD2-CD1 3.86Å; L504-F558 HydrophobicContact CD2-CE1 3.51Å; L504-F558 HydrophobicContact CD2-CZ 4.36Å; L504-L569 HydrophobicContact CD1-CD1 3.55Å
505A69.4Low63.3Low2 Ų250.6 Ų50.62%0.01726%0.258CS..EExtended strand (participates in β ladder)trans-102.2138.9174.200000111.5I359 S360 P362 L366 Y507 L548I359-A505 CarbonylContact C-O 3.48Å; I359-A505 WeakPolarHBondContact CA-O 3.22Å; S360-A505 PolarHBondContact N-O 3.37Å; S360-A505 PolarHBondContact O-N 2.8Å; P362-A505 HydrophobicContact CG-CB 4.15Å; L366-A505 HydrophobicContact CD2-CB 3.75Å; A505-Y507 HydrophobicContact CB-CE2 3.59Å; A505-L548 VanDerWaalsContact CA-CD2 3.48Å; A505-L548 HydrophobicContact CB-CD2 3.88Å
506L72.4Confident65.3Low6 Ų646.9 Ų46.93%0.03124%0.237CC..EExtended strand (participates in β ladder)trans-118.3133.3-178.5-169.280.8000111.3V357 V358 I359 L659 I663 I664V357-L506 HydrophobicContact CG1-CD1 3.19Å; V357-L506 HydrophobicContact CG1-CD2 4.36Å; V357-L506 HydrophobicContact CG1-CG 3.91Å; V358-L506 WeakPolarHBondContact O-CA 3.17Å; I359-L506 HydrophobicContact CB-CD1 4.37Å; I359-L506 HydrophobicContact CG1-CD1 3.47Å; I359-L506 VanDerWaalsContact CG1-CD1 3.47Å; L506-L659 HydrophobicContact CD2-CD2 3.3Å; L506-L659 HydrophobicContact CG-CD2 4.42Å; L506-I663 WeakPolarHBondContact O-CG1 3.19Å; L506-I664 HydrophobicContact CB-CB 3.78Å; L506-I664 HydrophobicContact CB-CG1 4.46Å; L506-I664 WeakPolarHBondContact CB-O 3.47Å; L506-I664 HydrophobicContact CD2-CB 4Å; L506-I664 HydrophobicContact CD2-CD1 3.83Å; L506-I664 HydrophobicContact CD2-CG1 3.72Å; L506-I664 PolarHBondContact N-O 3.39Å
507Y76.5Confident66.9Low14 Ų1443.6 Ų43.66%0.05523%0.227CC..EExtended strand (participates in β ladder)trans-126.4144.5177.5-56.1-94.6000109.4G304 P306 P307 F310 V357 V358 L366 A505G304-Y507 WeakPolarHBondContact O-CD1 3.48Å; P306-Y507 HydrophobicContact CB-CD1 3.93Å; P306-Y507 HydrophobicContact CB-CD2 4.34Å; P306-Y507 HydrophobicContact CB-CE1 3.98Å; P306-Y507 HydrophobicContact CB-CE2 4.43Å; P306-Y507 HydrophobicContact CB-CG 4.1Å; P306-Y507 HydrophobicContact CG-CD1 4.5Å; P307-Y507 WeakPolarHBondContact CD-OH 3.43Å; F310-Y507 HydrophobicContact CE1-CD2 4.11Å; F310-Y507 HydrophobicContact CE1-CE2 4.21Å; F310-Y507 HydrophobicContact CE2-CE2 4.25Å; F310-Y507 AromaticContact CZ-CD2 3.65Å; F310-Y507 HydrophobicContact CZ-CD2 3.65Å; F310-Y507 AromaticContact CZ-CE2 3.37Å; F310-Y507 HydrophobicContact CZ-CE2 3.37Å; F310-Y507 HydrophobicContact CZ-CG 4.42Å; F310-Y507 AromaticContact CZ-CZ 3.89Å; V357-Y507 CarbonylContact C-O 3.56Å; V357-Y507 WeakPolarHBondContact CA-O 3.35Å; V358-Y507 PolarHBondContact N-O 2.97Å; V358-Y507 PolarHBondContact O-N 3.44Å; L366-Y507 VanDerWaalsContact CD2-OH 3.26Å; L366-Y507 WeakPolarHBondContact CD2-OH 3.49Å; A505-Y507 HydrophobicContact CB-CE2 3.59Å
508T77.2Confident68.2Low1 Ų139.6 Ų39.61%0.00621%0.209CC..EExtended strand (participates in β ladder)trans-119.9128.4175.7-550000109.5T355 V356 L538T355-T508 HydrophobicContact CG2-CG2 3.57Å; V356-T508 CarbonylContact O-C 3.55Å; V356-T508 WeakPolarHBondContact O-CA 3.31Å; T508-L538 HydrophobicContact CG2-CD1 3.67Å; T508-L538 HydrophobicContact CG2-CG 4.27Å; T508-L538 PolarHBondContact O-N 2.87Å
509L83.1Confident69.3Low0 Ų037.6 Ų37.60%020%0.203CC..EExtended strand (participates in β ladder)trans-117.3121178.5175.863.1000108.6L225 I272 V356 I511 W537L225-L509 HydrophobicContact CD2-CD2 4.4Å; I272-L509 HydrophobicContact CD1-CD2 3.79Å; V356-L509 HydrophobicContact CB-CB 4.4Å; V356-L509 PolarHBondContact N-O 3.15Å; V356-L509 PolarHBondContact O-N 2.92Å; L509-I511 HydrophobicContact CD2-CD1 3.87Å; L509-I511 HydrophobicContact CD2-CG1 3.91Å; L509-I511 HydrophobicContact CG-CD1 4.29Å; L509-I511 HydrophobicContact CG-CG1 3.8Å; L509-W537 HydrophobicContact CB-CD2 4.19Å; L509-W537 HydrophobicContact CB-CE3 3.79Å; L509-W537 HydrophobicContact CB-CH2 3.94Å; L509-W537 HydrophobicContact CB-CZ2 4.31Å; L509-W537 HydrophobicContact CB-CZ3 3.67Å; L509-W537 HydrophobicContact CD1-CD2 3.87Å; L509-W537 HydrophobicContact CD1-CE3 4.35Å; L509-W537 HydrophobicContact CD1-CG 4.11Å; L509-W537 HydrophobicContact CD1-CZ2 4.24Å; L509-W537 HydrophobicContact CD2-CH2 4.12Å; L509-W537 HydrophobicContact CD2-CZ2 3.95Å; L509-W537 HydrophobicContact CG-CH2 4.48Å; L509-W537 HydrophobicContact CG-CZ2 4.4Å
510N86.6Confident70.3Confident19 Ų1937.8 Ų37.810%0.10219%0.194CC..EExtended strand (participates in β ladder)trans-91.9132.8166.1-77.9-16.8000109.2L328 Y354 T355 G535 D536L328-N510 HydrophobicContact CD2-CB 4.38Å; Y354-N510 CarbonylContact O-C 3.6Å; Y354-N510 WeakPolarHBondContact O-CA 3.39Å; T355-N510 WeakPolarHBondContact CG2-OD1 3.47Å; T355-N510 PolarHBondContact OG1-OD1 2.68Å; N510-G535 CarbonylContact O-C 3.58Å; N510-G535 VanDerWaalsContact O-CA 3.26Å; N510-G535 WeakPolarHBondContact O-CA 3.43Å; N510-D536 PolarHBondContact N-O 3.38Å; N510-D536 PolarHBondContact O-N 2.81Å
511I90.2Very high70.7Confident0 Ų041.9 Ų41.90%021%0.206CC..EExtended strand (participates in β ladder)trans-119.1127.2178.9-55.8178.6000108.3L223 I274 V296 V353 Y354 V356 L509 K534L223-I511 HydrophobicContact CD1-CD1 3.67Å; L223-I511 HydrophobicContact CD2-CD1 3.81Å; L223-I511 HydrophobicContact CG-CD1 4.45Å; I274-I511 HydrophobicContact CD1-CG2 4.04Å; V296-I511 HydrophobicContact CG1-CG2 4.39Å; V353-I511 CarbonylContact C-O 3.38Å; V353-I511 VanDerWaalsContact CA-O 3.27Å; V353-I511 WeakPolarHBondContact CA-O 3.41Å; Y354-I511 HydrophobicContact CD2-CB 4.45Å; Y354-I511 HydrophobicContact CD2-CG2 4.48Å; Y354-I511 PolarHBondContact N-O 2.84Å; Y354-I511 PolarHBondContact O-N 2.8Å; V356-I511 HydrophobicContact CG2-CD1 4.18Å; L509-I511 HydrophobicContact CD2-CD1 3.87Å; L509-I511 HydrophobicContact CD2-CG1 3.91Å; L509-I511 HydrophobicContact CG-CD1 4.29Å; L509-I511 HydrophobicContact CG-CG1 3.8Å; I511-K534 CarbonylContact C-O 3.57Å; I511-K534 VanDerWaalsContact CA-O 3.3Å; I511-K534 WeakPolarHBondContact CA-O 3.27Å
512I90.1Very high71Confident9 Ų938.3 Ų38.35%0.04620%0.202CC..EExtended strand (participates in β ladder)trans-103.9120.1165.3-57.3176.3000106.8L328 L329 D332 V353 A533 K534L328-I512 HydrophobicContact CB-CD1 4.33Å; L329-I512 HydrophobicContact CD2-CG2 4.35Å; D332-I512 HydrophobicContact CB-CD1 4.43Å; D332-I512 WeakPolarHBondContact OD2-CD1 3.36Å; V353-I512 HydrophobicContact CG2-CG1 4.37Å; I512-A533 CarbonylContact O-C 3.43Å; I512-A533 WeakPolarHBondContact O-CA 3.5Å; I512-K534 PolarHBondContact N-O 3.23Å; I512-K534 PolarHBondContact O-N 3.27Å
513Y90.5Very high71.1Confident0 Ų038.9 Ų38.90%023%0.227CC..EExtended strand (participates in β ladder)trans-117.7117.3-177.8177.6-97.5000109.6R221 I274 F292 T294 H351 N352 H515 N531 A533R221-Y513 PolarHBondContact NH1-OH 3.08Å; I274-Y513 HydrophobicContact CD1-CD2 3.61Å; I274-Y513 HydrophobicContact CD1-CE2 4.29Å; I274-Y513 HydrophobicContact CD1-CG 4.24Å; F292-Y513 WeakPolarHBondContact CE2-OH 3.16Å; F292-Y513 WeakPolarHBondContact CZ-OH 3.01Å; T294-Y513 HydrophobicContact CG2-CE2 3.9Å; H351-Y513 WeakPolarHBondContact CA-O 3.28Å; N352-Y513 HydrophobicContact CB-CD1 4.34Å; N352-Y513 PolarHBondContact N-O 2.96Å; N352-Y513 PolarHBondContact O-N 2.85Å; Y513-H515 AromaticContact CD1-ND1 3.85Å; Y513-H515 HydrophobicContact CE1-CB 3.56Å; Y513-H515 AromaticContact CE1-CG 3.54Å; Y513-H515 AromaticContact CE1-ND1 3.49Å; Y513-H515 WeakPolarHBondContact CE1-ND1 3.5Å; Y513-N531 HydrophobicContact CE2-CB 4.42Å; Y513-A533 HydrophobicContact CD2-CB 3.84Å
514S87.1Confident71.2Confident10 Ų1040.9 Ų40.97%0.0724%0.239CC..EExtended strand (participates in β ladder)trans-112.4124.2-177.2-530000109.2V350 H351 K532V350-S514 WeakPolarHBondContact O-CA 3.5Å; H351-S514 PolarHBondContact CE1-OG 2.89Å; H351-S514 PolarHBondContact ND1-OG 3.06Å; S514-K532 PolarHBondContact N-O 3.21Å; S514-K532 PolarHBondContact O-N 3.43Å
515H80.9Confident71.5Confident22 Ų2244.6 Ų44.610%0.10226%0.255CS..EExtended strand (participates in β ladder)trans-139.5153.7178.465.4-57.4000112R221 V350 N352 Y513 D517 N531R221-H515 PolarHBondContact NH2-CD2 2.89Å; R221-H515 PolarHBondContact NH2-NE2 3.15Å; V350-H515 PolarHBondContact N-O 2.91Å; V350-H515 PolarHBondContact O-N 2.91Å; V350-H515 PolarHBondContact O-ND1 3.13Å; V350-H515 VanDerWaalsContact O-ND1 3.09Å; N352-H515 PolarHBondContact OD1-CE1 3.25Å; N352-H515 VanDerWaalsContact OD1-CE1 3.25Å; Y513-H515 AromaticContact CD1-ND1 3.85Å; Y513-H515 HydrophobicContact CE1-CB 3.56Å; Y513-H515 AromaticContact CE1-CG 3.54Å; Y513-H515 AromaticContact CE1-ND1 3.49Å; Y513-H515 WeakPolarHBondContact CE1-ND1 3.5Å; H515-D517 IonicContact NE2-OD1 2.7Å; H515-N531 WeakPolarHBondContact CA-OD1 3.39Å; H515-N531 HydrophobicContact CB-CB 4.44Å
516S70.2Confident72Confident35 Ų3545.5 Ų45.525%0.24526%0.26CS..EExtended strand (participates in β ladder)trans-94.6142.4167.461.90000109.5V518S516-V518 PolarHBondContact O-N 2.93Å
517D60Low72.1Confident104 Ų10446.6 Ų46.656%0.55626%0.264SS*.  trans-73.621.6175.8-72.2-30.4000112.9H515 L519H515-D517 IonicContact NE2-OD1 2.7Å; D517-L519 PolarHBondContact O-N 3.16Å
518V55.3Low72.1Confident61 Ų6150.2 Ų50.237%0.3728%0.281SS..  trans-73.4130.2-175.3-179.40000110S516 Y520S516-V518 PolarHBondContact O-N 2.93Å; V518-Y520 PolarHBondContact O-N 3.4Å
519L55.4Low71.8Confident114 Ų11450.3 Ų50.360%0.59728%0.281SS*.  trans-69.4115.3171.1-77102.1000110.4N281 D517 N521N281-L519 WeakPolarHBondContact OD1-CD2 3.48Å; D517-L519 PolarHBondContact O-N 3.16Å; L519-N521 PolarHBondContact O-N 2.88Å
520Y57.8Low71Confident75 Ų7558.8 Ų58.829%0.29432%0.321SS..  trans-77.5109.9168.9-72.6-84.4000109.7N290 V518 T529N290-Y520 PolarHBondContact ND2-O 3.11Å; V518-Y520 PolarHBondContact O-N 3.4Å; Y520-T529 HydrophobicContact CE2-CG2 3.96Å
521N52.2Low70.5Confident152 Ų15258.8 Ų58.881%0.81332%0.321SS*.  trans-89111.4163.6-89.1-10.7000108.5L519L519-N521 PolarHBondContact O-N 2.88Å
522S55.6Low70.2Confident65 Ų6565 Ų6546%0.45535%0.348SS..  trans-146.3159.2178.4-174.90000111H527S522-H527 WeakPolarHBondContact CB-CE1 3.46Å; S522-H527 WeakPolarHBondContact CB-NE2 3.24Å; S522-H527 PolarHBondContact OG-CE1 3.11Å
523A56.5Low70.2Confident109 Ų10964.7 Ų64.790%0.90135%0.346SS*.SBendtrans-79.6-28.3179.600000113
524T61.2Low70.3Confident56 Ų5666.3 Ų66.334%0.34435%0.354SS..SBendtrans-92.5155176.357.10000110.4I526 H527T524-I526 PolarHBondContact OG1-O 3.08Å; T524-H527 PolarHBondContact O-CE1 3.43Å; T524-H527 PolarHBondContact O-NE2 3.33Å; T524-H527 PolarHBondContact OG1-CE1 2.9Å; T524-H527 PolarHBondContact OG1-ND1 3.09Å
525K74.4Confident70.4Confident82 Ų8265.9 Ų65.936%0.35735%0.35SS..SBendtrans-88.1-11.9180-66.9-175.1-179.4-177.70113.6L194 F287 W291L194-K525 HydrophobicContact CD2-CB 3.85Å; L194-K525 HydrophobicContact CD2-CD 4.18Å; F287-K525 WeakPolarHBondContact O-CE 3.18Å; F287-K525 PolarHBondContact O-NZ 3.32Å; W291-K525 PolarHBondContact N-O 3.26Å
526I78.3Confident70.6Confident21 Ų2166.9 Ų66.911%0.10836%0.356CS..EExtended strand (participates in β ladder)trans-127132.6-177.3-160.8173.9000110.8L181 L194 W291 T524L181-I526 HydrophobicContact CD2-CD1 3.55Å; L194-I526 HydrophobicContact CB-CD1 4.45Å; L194-I526 WeakPolarHBondContact O-CG2 3.3Å; W291-I526 CarbonylContact O-C 3.56Å; W291-I526 VanDerWaalsContact O-CA 3.28Å; W291-I526 WeakPolarHBondContact O-CA 3.06Å; T524-I526 PolarHBondContact OG1-O 3.08Å
527H75.7Confident71.1Confident29 Ų2966 Ų6613%0.13435%0.348CS..EExtended strand (participates in β ladder)trans-135.8165.3-176.6-50.4-58.8000113.2W291 F292 W293 S522 T524W291-H527 PolarHBondContact O-N 3.01Å; F292-H527 CarbonylContact C-O 3.52Å; F292-H527 WeakPolarHBondContact CA-O 3.38Å; F292-H527 HydrophobicContact CB-CB 4.19Å; F292-H527 WeakPolarHBondContact CB-O 3.37Å; W293-H527 PolarHBondContact N-O 2.93Å; S522-H527 WeakPolarHBondContact CB-CE1 3.46Å; S522-H527 WeakPolarHBondContact CB-NE2 3.24Å; S522-H527 PolarHBondContact OG-CE1 3.11Å; T524-H527 PolarHBondContact O-CE1 3.43Å; T524-H527 PolarHBondContact O-NE2 3.33Å; T524-H527 PolarHBondContact OG1-CE1 2.9Å; T524-H527 PolarHBondContact OG1-ND1 3.09Å
528F75.1Confident71.6Confident90 Ų9063.2 Ų63.240%0.39533%0.332SS..EExtended strand (participates in β ladder)trans-99.7138.9157.8-179.7-105.1000108.9D204 W273 K295D204-F528 HydrophobicContact CB-CB 3.63Å; D204-F528 HydrophobicContact CB-CD1 4.14Å; D204-F528 HydrophobicContact CB-CD2 4.17Å; D204-F528 HydrophobicContact CB-CG 3.73Å; D204-F528 WeakPolarHBondContact O-CD2 3.42Å; W273-F528 HydrophobicContact CH2-CE2 4.34Å; W273-F528 HydrophobicContact CZ3-CD2 4.06Å; W273-F528 AromaticContact CZ3-CE2 3.85Å; W273-F528 HydrophobicContact CZ3-CE2 3.85Å; K295-F528 HydrophobicContact CB-CE2 4.47Å
529T71.3Confident72.1Confident3 Ų364 Ų642%0.01834%0.338CS..  trans-112.2152.8178.958.70000111.7F292 W293 T294 Y520 N531F292-T529 HydrophobicContact CB-CG2 3.56Å; F292-T529 HydrophobicContact CD1-CG2 4Å; F292-T529 HydrophobicContact CD2-CG2 3.2Å; F292-T529 WeakPolarHBondContact CD2-OG1 3.22Å; F292-T529 HydrophobicContact CE1-CG2 4.47Å; F292-T529 HydrophobicContact CE2-CG2 3.76Å; F292-T529 HydrophobicContact CG-CG2 3.31Å; F292-T529 HydrophobicContact CZ-CG2 4.35Å; W293-T529 PolarHBondContact O-N 2.88Å; T294-T529 PolarHBondContact OG1-OG1 2.96Å; T294-T529 VanDerWaalsContact OG1-OG1 3.08Å; Y520-T529 HydrophobicContact CE2-CG2 3.96Å; T529-N531 WeakPolarHBondContact CB-ND2 2.94Å; T529-N531 PolarHBondContact O-N 3.37Å; T529-N531 WeakPolarHBondContact OG1-CB 3.4Å; T529-N531 PolarHBondContact OG1-N 3Å; T529-N531 PolarHBondContact OG1-ND2 3.44Å
530E66.4Low72.1Confident178 Ų17860.2 Ų60.283%0.83232%0.32SS*.  trans-71.9-1.9165.4-59.5-172.7172.900113.8K532E530-K532 PolarHBondContact O-N 2.86Å
531N76.3Confident71.8Confident19 Ų1962.3 Ų62.310%0.10234%0.34CS..  trans-51.1140.6172.8-66.5-39.3000109.8F292 T294 Y513 H515 T529F292-N531 WeakPolarHBondContact CE2-ND2 3.17Å; F292-N531 WeakPolarHBondContact CZ-ND2 3.39Å; T294-N531 HydrophobicContact CG2-CB 4.18Å; T294-N531 WeakPolarHBondContact CG2-O 3.35Å; Y513-N531 HydrophobicContact CE2-CB 4.42Å; H515-N531 WeakPolarHBondContact CA-OD1 3.39Å; H515-N531 HydrophobicContact CB-CB 4.44Å; T529-N531 WeakPolarHBondContact CB-ND2 2.94Å; T529-N531 PolarHBondContact O-N 3.37Å; T529-N531 WeakPolarHBondContact OG1-CB 3.4Å; T529-N531 PolarHBondContact OG1-N 3Å; T529-N531 PolarHBondContact OG1-ND2 3.44Å
532K83.5Confident71.7Confident132 Ų13259.7 Ų59.757%0.57432%0.321SS*.EExtended strand (participates in β ladder)trans-107.1128.2-174.2-61.7-177.1-179.6173.70109.5F335 S514 E530F335-K532 HydrophobicContact CE1-CB 3.44Å; F335-K532 VanDerWaalsContact CE1-CB 3.44Å; F335-K532 HydrophobicContact CE1-CD 4.04Å; F335-K532 HydrophobicContact CE1-CG 4.37Å; F335-K532 HydrophobicContact CZ-CB 3.83Å; F335-K532 HydrophobicContact CZ-CD 4.2Å; S514-K532 PolarHBondContact N-O 3.21Å; S514-K532 PolarHBondContact O-N 3.43Å; E530-K532 PolarHBondContact O-N 2.86Å
533A91.1Very high71.1Confident1 Ų163.9 Ų63.91%0.00833%0.334CS..EExtended strand (participates in β ladder)trans-124.1130.8172.300000109.1I274 T294 V296 Q297 I512 Y513I274-A533 HydrophobicContact CD1-CB 4.06Å; T294-A533 HydrophobicContact CG2-CB 3.79Å; V296-A533 HydrophobicContact CB-CB 4.27Å; V296-A533 HydrophobicContact CG1-CB 4.35Å; V296-A533 HydrophobicContact CG2-CB 3.9Å; Q297-A533 PolarHBondContact N-O 3.04Å; I512-A533 CarbonylContact O-C 3.43Å; I512-A533 WeakPolarHBondContact O-CA 3.5Å; Y513-A533 HydrophobicContact CD2-CB 3.84Å
534K91.2Very high70.4Confident35 Ų3561.7 Ų61.715%0.15231%0.307CS..EExtended strand (participates in β ladder)trans-119.7136.1175.6-173.8-175.1169.7-142.50109.3Q297 D332 F335 I511 I512 D536Q297-K534 CarbonylContact O-C 3.57Å; Q297-K534 WeakPolarHBondContact O-CA 3.49Å; D332-K534 IonicContact OD1-NZ 3.77Å; D332-K534 PolarHBondContact OD1-NZ 2.88Å; D332-K534 IonicContact OD2-NZ 3.54Å; D332-K534 PolarHBondContact OD2-NZ 3.48Å; F335-K534 HydrophobicContact CD2-CD 4.34Å; F335-K534 HydrophobicContact CE2-CB 4.27Å; F335-K534 HydrophobicContact CE2-CD 4.22Å; F335-K534 HydrophobicContact CZ-CB 4.06Å; I511-K534 CarbonylContact C-O 3.57Å; I511-K534 VanDerWaalsContact CA-O 3.3Å; I511-K534 WeakPolarHBondContact CA-O 3.27Å; I512-K534 PolarHBondContact N-O 3.23Å; I512-K534 PolarHBondContact O-N 3.27Å; K534-D536 WeakPolarHBondContact CE-OD1 3.19Å; K534-D536 IonicContact NZ-OD1 2.69Å; K534-D536 IonicContact NZ-OD2 2.78Å; K534-D536 PolarHBondContact NZ-OD2 3.07Å
535G90Very high69.5Low0 Ų062.4 Ų62.40%030%0.304CS..EExtended strand (participates in β ladder)trans-122.5123.2179.300000111.8Q297 C298 N510Q297-G535 PolarHBondContact O-N 3.41Å; C298-G535 WeakPolarHBondContact CA-O 2.96Å; C298-G535 PolarHBondContact SG-O 3.45Å; C298-G535 VanDerWaalsContact SG-O 3.42Å; N510-G535 CarbonylContact O-C 3.58Å; N510-G535 VanDerWaalsContact O-CA 3.26Å; N510-G535 WeakPolarHBondContact O-CA 3.43Å
536D84.5Confident67.5Low43 Ų4363.4 Ų63.423%0.2331%0.312CS..EExtended strand (participates in β ladder)trans-111.9111.6176.6-69.6-34.5000110.2N510 K534 L538N510-D536 PolarHBondContact N-O 3.38Å; N510-D536 PolarHBondContact O-N 2.81Å; K534-D536 WeakPolarHBondContact CE-OD1 3.19Å; K534-D536 IonicContact NZ-OD1 2.69Å; K534-D536 IonicContact NZ-OD2 2.78Å; K534-D536 PolarHBondContact NZ-OD2 3.07Å; D536-L538 PolarHBondContact O-N 3.28Å
537W81.3Confident65.6Low17 Ų1764.3 Ų64.36%0.06432%0.318CS..EExtended strand (participates in β ladder)trans-69.8125.3170.8-69.1101.6000109.6L225 F226 I272 P306 V358 L509L225-W537 HydrophobicContact CD2-CH2 4.49Å; F226-W537 HydrophobicContact CE2-CH2 4.18Å; F226-W537 HydrophobicContact CE2-CZ2 4.1Å; F226-W537 HydrophobicContact CZ-CH2 4.13Å; F226-W537 AromaticContact CZ-CZ2 3.58Å; F226-W537 HydrophobicContact CZ-CZ2 3.58Å; I272-W537 HydrophobicContact CD1-CZ2 3.7Å; P306-W537 HydrophobicContact CG-CD2 4.28Å; P306-W537 HydrophobicContact CG-CE3 4.3Å; P306-W537 HydrophobicContact CG-CH2 3.72Å; P306-W537 HydrophobicContact CG-CZ2 3.69Å; P306-W537 HydrophobicContact CG-CZ3 4.03Å; V358-W537 HydrophobicContact CG2-CH2 3.9Å; V358-W537 HydrophobicContact CG2-CZ3 4.12Å; L509-W537 HydrophobicContact CB-CD2 4.19Å; L509-W537 HydrophobicContact CB-CE3 3.79Å; L509-W537 HydrophobicContact CB-CH2 3.94Å; L509-W537 HydrophobicContact CB-CZ2 4.31Å; L509-W537 HydrophobicContact CB-CZ3 3.67Å; L509-W537 HydrophobicContact CD1-CD2 3.87Å; L509-W537 HydrophobicContact CD1-CE3 4.35Å; L509-W537 HydrophobicContact CD1-CG 4.11Å; L509-W537 HydrophobicContact CD1-CZ2 4.24Å; L509-W537 HydrophobicContact CD2-CH2 4.12Å; L509-W537 HydrophobicContact CD2-CZ2 3.95Å; L509-W537 HydrophobicContact CG-CH2 4.48Å; L509-W537 HydrophobicContact CG-CZ2 4.4Å
538L71.6Confident64Low45 Ų4563.3 Ų63.324%0.23631%0.313CS..PPolyproline II helixtrans-79.4131.4-178.8-60.8-174.4000111T508 D536 I663T508-L538 HydrophobicContact CG2-CD1 3.67Å; T508-L538 HydrophobicContact CG2-CG 4.27Å; T508-L538 PolarHBondContact O-N 2.87Å; D536-L538 PolarHBondContact O-N 3.28Å; L538-I663 WeakPolarHBondContact O-CD1 3.4Å
539V64.9Low62.2Low79 Ų7964.2 Ų64.248%0.47932%0.315SS..PPolyproline II helixtrans-69.7138.1174.4-1700000109.5I302 P303 V541I302-V539 HydrophobicContact CG2-CG2 4.31Å; P303-V539 HydrophobicContact CB-CG1 4.44Å; P303-V539 WeakPolarHBondContact O-CG2 3.05Å; V539-V541 PolarHBondContact O-N 3.49Å; V539-V541 VanDerWaalsContact O-N 3.16Å
540P54.7Low60.6Low34 Ų3467.6 Ų67.622%0.22134%0.338CS..PPolyproline II helixtrans-57.5120.3177-1415.2000110.6K542 I663P540-K542 VanDerWaalsContact CB-O 3.32Å; P540-K542 WeakPolarHBondContact CB-O 3.33Å; P540-K542 PolarHBondContact O-N 3.04Å; P540-I663 HydrophobicContact CB-CB 3.64Å; P540-I663 HydrophobicContact CB-CD1 3.68Å; P540-I663 HydrophobicContact CB-CG1 4.07Å; P540-I663 HydrophobicContact CB-CG2 3.92Å; P540-I663 HydrophobicContact CG-CB 4.06Å; P540-I663 HydrophobicContact CG-CD1 3.26Å; P540-I663 HydrophobicContact CG-CG1 4.13Å; P540-I663 HydrophobicContact CG-CG2 4.03Å
541V52.6Low59.7Low118 Ų11859.4 Ų59.472%0.71530%0.301SS*.SBendtrans-65.3-25.9173171.90000111.6V539 G661V539-V541 PolarHBondContact O-N 3.49Å; V539-V541 VanDerWaalsContact O-N 3.16Å; V541-G661 VanDerWaalsContact CB-O 3.3Å; V541-G661 WeakPolarHBondContact CB-O 3.29Å; V541-G661 WeakPolarHBondContact CG2-O 3.45Å; V541-G661 PolarHBondContact N-O 2.91Å
542K49.4Very low58.4Low97 Ų9758.7 Ų58.742%0.42230%0.298SS..SBendtrans-117.4123.4167.5-69.2-177.9179.9175.80108.9P540 N544P540-K542 VanDerWaalsContact CB-O 3.32Å; P540-K542 WeakPolarHBondContact CB-O 3.33Å; P540-K542 PolarHBondContact O-N 3.04Å; K542-N544 HydrophobicContact CB-CB 4.07Å; K542-N544 PolarHBondContact O-N 2.93Å
543Q44Very low56.8Low153 Ų15354.6 Ų54.672%0.71528%0.284SS*.  trans-69.736.4169.2-66.1176.7-16.600111.8Y545Q543-Y545 VanDerWaalsContact C-N 3.31Å; Q543-Y545 PolarHBondContact O-N 3.35Å
544N41.1Very low55.2Low64 Ų6455.2 Ų55.234%0.34229%0.287SS..  trans-86.172.1-173.4-80.21000110K542 L546 D547K542-N544 HydrophobicContact CB-CB 4.07Å; K542-N544 PolarHBondContact O-N 2.93Å; N544-L546 PolarHBondContact O-N 3.18Å; N544-D547 HydrophobicContact CB-CB 4.21Å; N544-D547 WeakPolarHBondContact CB-OD2 3.5Å; N544-D547 PolarHBondContact ND2-OD2 3.01Å; N544-D547 PolarHBondContact O-N 3.23Å
545Y41.2Very low53.4Low71 Ų7153.7 Ų53.728%0.27828%0.281SS..Hα-helixtrans-54.7-8.2156.9-69.2-91.5000112.6L366 A370 Q373 Q543 L548L366-Y545 HydrophobicContact CD1-CE1 3.76Å; L366-Y545 HydrophobicContact CG-CE1 4.19Å; A370-Y545 HydrophobicContact CB-CD1 3.39Å; A370-Y545 HydrophobicContact CB-CE1 4.19Å; A370-Y545 HydrophobicContact CB-CG 3.76Å; Q373-Y545 HydrophobicContact CG-CD2 4.47Å; Q373-Y545 HydrophobicContact CG-CE2 4.42Å; Q373-Y545 VanDerWaalsContact NE2-CE2 3.3Å; Q543-Y545 VanDerWaalsContact C-N 3.31Å; Q543-Y545 PolarHBondContact O-N 3.35Å; Y545-L548 HydrophobicContact CD1-CD1 3.67Å; Y545-L548 HydrophobicContact CG-CD1 4.35Å; Y545-L548 WeakPolarHBondContact O-CB 2.81Å
546L33.1Very low52Low102 Ų10256.8 Ų56.853%0.53430%0.297SS..Hα-helixtrans-70.7-29.9167.6-12090.5000114.1N544 Y549N544-L546 PolarHBondContact O-N 3.18Å; L546-Y549 WeakPolarHBondContact O-CB 3.16Å; L546-Y549 PolarHBondContact O-N 3.49Å; L546-Y549 VanDerWaalsContact O-N 3.12Å
547D39Very low51.2Low41 Ų4155.2 Ų55.222%0.21929%0.291CS..Hα-helixtrans-79.1-32.9-175.9-69.6-27.5000111.2N544 Y549 S550 A551N544-D547 HydrophobicContact CB-CB 4.21Å; N544-D547 WeakPolarHBondContact CB-OD2 3.5Å; N544-D547 PolarHBondContact ND2-OD2 3.01Å; N544-D547 PolarHBondContact O-N 3.23Å; D547-Y549 PolarHBondContact O-N 3.13Å; D547-S550 WeakPolarHBondContact O-CA 3.18Å; D547-S550 WeakPolarHBondContact O-CB 3.4Å; D547-S550 PolarHBondContact O-N 3.14Å; D547-A551 PolarHBondContact O-N 3.17Å
548L40.9Very low51Low8 Ų854.8 Ų54.84%0.04229%0.29CS..Hα-helixtrans-40.6-49.6157.6-66.4177.3000110P503 L504 A505 Y545 S550 A551 I664P503-L548 HydrophobicContact CB-CB 3.63Å; P503-L548 WeakPolarHBondContact CB-O 3.01Å; P503-L548 HydrophobicContact CG-CB 3.54Å; P503-L548 HydrophobicContact CG-CD1 4.45Å; P503-L548 HydrophobicContact CG-CG 4.43Å; L504-L548 WeakPolarHBondContact O-CD2 3.21Å; A505-L548 VanDerWaalsContact CA-CD2 3.48Å; A505-L548 HydrophobicContact CB-CD2 3.88Å; Y545-L548 HydrophobicContact CD1-CD1 3.67Å; Y545-L548 HydrophobicContact CG-CD1 4.35Å; Y545-L548 WeakPolarHBondContact O-CB 2.81Å; L548-S550 PolarHBondContact O-N 2.88Å; L548-S550 VanDerWaalsContact O-N 3.09Å; L548-A551 WeakPolarHBondContact O-CA 3.37Å; L548-A551 WeakPolarHBondContact O-CB 3.48Å; L548-A551 PolarHBondContact O-N 3.46Å; L548-I664 VanDerWaalsContact CD2-O 3.3Å; L548-I664 WeakPolarHBondContact CD2-O 3.48Å; L548-I664 WeakPolarHBondContact CD2-OXT 3.36Å; L548-I664 WeakPolarHBondContact CG-OXT 3.01Å; L548-I664 PolarHBondContact N-OXT 3.28Å
549Y37.8Very low51.5Low109 Ų10953.8 Ų53.843%0.42729%0.287SS..THydrogen-bonded Turntrans-63.2-20.1-178.2-159.6-100.3000114.6L546 D547 A551L546-Y549 WeakPolarHBondContact O-CB 3.16Å; L546-Y549 PolarHBondContact O-N 3.49Å; L546-Y549 VanDerWaalsContact O-N 3.12Å; D547-Y549 PolarHBondContact O-N 3.13Å; Y549-A551 VanDerWaalsContact C-N 3.34Å
550S38.7Very low52.4Low73 Ų7351 Ų5151%0.5127%0.27SS..THydrogen-bonded Turntrans-83.2-15.1172.4-57.50000112.4W7 D547 L548W7-S550 VanDerWaalsContact CD1-C 3.45Å; W7-S550 PolarHBondContact NE1-O 2.94Å; D547-S550 WeakPolarHBondContact O-CA 3.18Å; D547-S550 WeakPolarHBondContact O-CB 3.4Å; D547-S550 PolarHBondContact O-N 3.14Å; L548-S550 PolarHBondContact O-N 2.88Å; L548-S550 VanDerWaalsContact O-N 3.09Å
551A46Very low53.9Low7 Ų749.9 Ų49.96%0.05826%0.264CS..SBendtrans-59.6148.417200000110.2W7 P503 L504 D547 L548 Y549W7-A551 HydrophobicContact CZ2-CB 4.22Å; W7-A551 VanDerWaalsContact NE1-CA 3.33Å; P503-A551 HydrophobicContact CB-CB 4.16Å; L504-A551 HydrophobicContact CB-CB 4.07Å; D547-A551 PolarHBondContact O-N 3.17Å; L548-A551 WeakPolarHBondContact O-CA 3.37Å; L548-A551 WeakPolarHBondContact O-CB 3.48Å; L548-A551 PolarHBondContact O-N 3.46Å; Y549-A551 VanDerWaalsContact C-N 3.34Å
552P49Very low55.3Low4 Ų446.5 Ų46.53%0.02624%0.24CC..PPolyproline II helixtrans-48.3138.6174.6-2635.2000110.9E554 F652P552-E554 PolarHBondContact O-N 3.06Å; P552-F652 HydrophobicContact CB-CD1 4.5Å; P552-F652 HydrophobicContact CB-CD2 3.87Å; P552-F652 HydrophobicContact CB-CE1 3.98Å; P552-F652 HydrophobicContact CB-CE2 3.22Å; P552-F652 HydrophobicContact CB-CG 4.44Å; P552-F652 HydrophobicContact CB-CZ 3.31Å; P552-F652 HydrophobicContact CG-CB 4.29Å; P552-F652 HydrophobicContact CG-CD1 3.58Å; P552-F652 HydrophobicContact CG-CD2 3.19Å; P552-F652 HydrophobicContact CG-CE1 3.53Å; P552-F652 HydrophobicContact CG-CE2 3.09Å; P552-F652 HydrophobicContact CG-CG 3.41Å; P552-F652 VanDerWaalsContact CG-CG 3.41Å; P552-F652 HydrophobicContact CG-CZ 3.29Å
553P49.9Very low56.7Low45 Ų4542.3 Ų42.329%0.29222%0.224SC..SBendtrans-55.9132.6167.923.7-30.2000108.4Y501 T574Y501-P553 HydrophobicContact CD1-CB 3.99Å; Y501-P553 HydrophobicContact CE1-CB 3.96Å; P553-T574 HydrophobicContact CB-CG2 4.41Å; P553-T574 WeakPolarHBondContact O-CG2 3.42Å
554E57.6Low58.2Low15 Ų1541.1 Ų41.17%0.0722%0.218CC..  trans15.9108.4173.6-75.2177174.900117.1R502 P552 L573 T574 D575R502-E554 HydrophobicContact CB-CG 3.64Å; R502-E554 WeakPolarHBondContact CB-OE1 3.46Å; R502-E554 WeakPolarHBondContact CD-OE1 3.5Å; R502-E554 HydrophobicContact CG-CG 4.3Å; R502-E554 WeakPolarHBondContact CG-OE1 3.39Å; R502-E554 IonicContact NE-OE1 2.65Å; R502-E554 WeakPolarHBondContact O-CG 3.46Å; R502-E554 PolarHBondContact O-N 3.49Å; P552-E554 PolarHBondContact O-N 3.06Å; E554-L573 CarbonylContact C-O 3.41Å; E554-L573 CarbonylContact O-C 3.21Å; E554-T574 HydrophobicContact CB-CG2 4.29Å; E554-T574 WeakPolarHBondContact O-CA 3.47Å; E554-T574 WeakPolarHBondContact O-CG2 3.44Å; E554-T574 PolarHBondContact O-N 3.43Å; E554-D575 VanDerWaalsContact OE2-CB 3.27Å; E554-D575 WeakPolarHBondContact OE2-CB 3.43Å; E554-D575 VanDerWaalsContact OE2-CG 3.28Å; E554-D575 PolarHBondContact OE2-N 3.09Å
555C54.4Low59.6Low3 Ų339.8 Ų39.82%0.0222%0.219CC..  trans-113.964.6173.6-61.80000110.6G557 F558 G571C555-G557 PolarHBondContact O-N 2.82Å; C555-G557 VanDerWaalsContact O-N 3.07Å; C555-F558 HydrophobicContact CB-CB 3.81Å; C555-F558 HydrophobicContact CB-CD1 4.12Å; C555-F558 HydrophobicContact CB-CG 4.41Å; C555-F558 VanDerWaalsContact O-CD1 3.23Å; C555-F558 WeakPolarHBondContact O-CD1 3.33Å; C555-F558 PolarHBondContact O-N 2.99Å; C555-G571 WeakPolarHBondContact CB-O 3.49Å
556L60.5Low61.1Low64 Ų6437.2 Ų37.234%0.33521%0.212SC..BIsolated β-bridgetrans-56.4119.5175.8-84.6167.8000110.6F28 Q361 G572 L573F28-L556 WeakPolarHBondContact CB-O 3.46Å; Q361-L556 VanDerWaalsContact NE2-CA 3.28Å; L556-G572 CarbonylContact O-C 3.42Å; L556-G572 VanDerWaalsContact O-CA 3.24Å; L556-G572 WeakPolarHBondContact O-CA 3.46Å; L556-L573 HydrophobicContact CB-CB 4.41Å; L556-L573 PolarHBondContact N-O 3.37Å; L556-L573 PolarHBondContact O-N 3.29Å
557G67.9Low63Low10 Ų1032.4 Ų32.410%0.10319%0.187CC..THydrogen-bonded Turntrans70.634.3-175.900000114.3F28 G29 C555F28-G557 CarbonylContact C-O 3.49Å; F28-G557 WeakPolarHBondContact CA-O 3.36Å; G29-G557 PolarHBondContact N-O 3.48Å; C555-G557 PolarHBondContact O-N 2.82Å; C555-G557 VanDerWaalsContact O-N 3.07Å
558F76.8Confident64.9Low9 Ų930.8 Ų30.84%0.03918%0.178CC..  trans-56.1161.5162.669.6-96.9000110.9I359 L504 C555 L569 F570I359-F558 HydrophobicContact CB-CE2 4.2Å; I359-F558 HydrophobicContact CB-CZ 3.91Å; I359-F558 HydrophobicContact CG2-CE1 4.33Å; I359-F558 HydrophobicContact CG2-CE2 4.07Å; I359-F558 HydrophobicContact CG2-CZ 3.6Å; L504-F558 HydrophobicContact CD2-CD1 3.86Å; L504-F558 HydrophobicContact CD2-CE1 3.51Å; L504-F558 HydrophobicContact CD2-CZ 4.36Å; C555-F558 HydrophobicContact CB-CB 3.81Å; C555-F558 HydrophobicContact CB-CD1 4.12Å; C555-F558 HydrophobicContact CB-CG 4.41Å; C555-F558 VanDerWaalsContact O-CD1 3.23Å; C555-F558 WeakPolarHBondContact O-CD1 3.33Å; C555-F558 PolarHBondContact O-N 2.99Å; F558-L569 HydrophobicContact CD2-CD2 3.6Å; F558-L569 HydrophobicContact CE2-CD2 3.76Å; F558-L569 HydrophobicContact CG-CD2 4.49Å; F558-F570 WeakPolarHBondContact CA-O 3.38Å
559S82.4Confident66.7Low24 Ų2430.6 Ų30.617%0.16818%0.177CC..EExtended strand (participates in β ladder)trans-129.9149.8170-60.80000109.3A30 L569 F570A30-S559 WeakPolarHBondContact O-CB 3.2Å; A30-S559 PolarHBondContact O-OG 2.88Å; S559-L569 WeakPolarHBondContact O-CA 3.33Å; S559-F570 PolarHBondContact N-O 2.88Å; S559-F570 PolarHBondContact O-N 3.48Å
560C83.6Confident68.7Low20 Ų2025.4 Ų25.414%0.13516%0.156CC..EExtended strand (participates in β ladder)trans-128.6148.2-175.182.50000113I32 T314 V316 I359 L567 F568 L569I32-C560 WeakPolarHBondContact CG2-O 3.33Å; T314-C560 HydrophobicContact CG2-CB 4.45Å; T314-C560 WeakPolarHBondContact CG2-SG 3.49Å; V316-C560 WeakPolarHBondContact CG2-SG 3.31Å; I359-C560 HydrophobicContact CD1-CB 4.38Å; C560-L567 HydrophobicContact CB-CD1 3.99Å; C560-F568 CarbonylContact C-O 3.6Å; C560-F568 WeakPolarHBondContact CA-O 3.46Å; C560-L569 HydrophobicContact CB-CD2 3.43Å; C560-L569 VanDerWaalsContact CB-CD2 3.43Å
561A85.1Confident70.5Confident11 Ų1122.1 Ų22.19%0.09113%0.134CC..EExtended strand (participates in β ladder)trans-134.1153.8170.700000109.1I32 L39 F568I32-A561 HydrophobicContact CD1-CB 4.23Å; I32-A561 HydrophobicContact CG1-CB 3.99Å; I32-A561 HydrophobicContact CG2-CB 4.11Å; L39-A561 HydrophobicContact CD2-CB 4.03Å; A561-F568 PolarHBondContact N-O 2.88Å; A561-F568 PolarHBondContact O-N 3.27Å
562F83.3Confident71.6Confident46 Ų4621.9 Ų21.920%0.20213%0.132CC..EExtended strand (participates in β ladder)trans-122.5138.5176.5176.2-83.7000111.3V316 L318 P319 C566 A656V316-F562 HydrophobicContact CG1-CB 3.35Å; V316-F562 HydrophobicContact CG1-CD2 4.18Å; V316-F562 HydrophobicContact CG1-CG 3.88Å; L318-F562 HydrophobicContact CD2-CD2 3.69Å; L318-F562 HydrophobicContact CD2-CE2 3.42Å; L318-F562 VanDerWaalsContact CD2-CE2 3.42Å; L318-F562 HydrophobicContact CD2-CG 4.49Å; L318-F562 HydrophobicContact CD2-CZ 4.08Å; P319-F562 HydrophobicContact CG-CD1 4.45Å; P319-F562 HydrophobicContact CG-CE1 3.41Å; P319-F562 VanDerWaalsContact CG-CE1 3.41Å; P319-F562 HydrophobicContact CG-CZ 3.83Å; F562-C566 WeakPolarHBondContact CA-O 3.43Å; F562-C566 WeakPolarHBondContact CD2-O 3.49Å; F562-A656 HydrophobicContact CE2-CB 3.6Å; F562-A656 HydrophobicContact CZ-CB 4.16Å
563G78.3Confident72.1Confident9 Ų922.8 Ų22.89%0.09314%0.137CC..EExtended strand (participates in β ladder)trans171.3173.6164.200000111.6L34 G565 C566 F568L34-G563 VanDerWaalsContact CD2-CA 3.4Å; G563-G565 PolarHBondContact O-N 3.11Å; G563-G565 VanDerWaalsContact O-N 3.1Å; G563-C566 PolarHBondContact N-O 2.77Å; G563-C566 PolarHBondContact O-N 2.95Å; G563-C566 VanDerWaalsContact O-O 3.07Å; G563-F568 WeakPolarHBondContact O-CE2 3.45Å
564H76.6Confident72.5Confident128 Ų12820.9 Ų20.959%0.59312%0.124SC*.THydrogen-bonded Turntrans51.831.8-169.7-57.6-67.1000113E36 C566E36-H564 PolarHBondContact O-NE2 3.14Å; H564-C566 PolarHBondContact O-N 3.45Å; H564-C566 PolarHBondContact O-SG 3.4Å
565G69.4Low72.1Confident36 Ų3624.1 Ų24.137%0.37114%0.142SC..THydrogen-bonded Turntrans58.433.3-174.200000113G563 A656G563-G565 PolarHBondContact O-N 3.11Å; G563-G565 VanDerWaalsContact O-N 3.1Å; G565-A656 WeakPolarHBondContact O-CA 3.44Å; G565-A656 WeakPolarHBondContact O-CB 3.29Å; G565-A656 PolarHBondContact O-N 3.29Å
566C72.3Confident71.8Confident17 Ų1726.7 Ų26.712%0.11516%0.16CC..EExtended strand (participates in β ladder)trans-135.4146.4176.8-61.60000110.7F562 G563 H564 F568 V653 L654F562-C566 WeakPolarHBondContact CA-O 3.43Å; F562-C566 WeakPolarHBondContact CD2-O 3.49Å; G563-C566 PolarHBondContact N-O 2.77Å; G563-C566 PolarHBondContact O-N 2.95Å; G563-C566 VanDerWaalsContact O-O 3.07Å; H564-C566 PolarHBondContact O-N 3.45Å; H564-C566 PolarHBondContact O-SG 3.4Å; C566-F568 HydrophobicContact CB-CE1 4.19Å; C566-F568 HydrophobicContact CB-CE2 4.03Å; C566-F568 HydrophobicContact CB-CZ 3.76Å; C566-V653 HydrophobicContact CB-CG1 3.96Å; C566-L654 CarbonylContact C-O 3.56Å; C566-L654 WeakPolarHBondContact CA-O 3.4Å; C566-L654 WeakPolarHBondContact CB-O 3.32Å
567L74Confident71.1Confident2 Ų227 Ų271%0.0116%0.162CC..EExtended strand (participates in β ladder)trans-94125.9164.9177.578.2000108.2V316 I359 C560 L569 L654V316-L567 HydrophobicContact CB-CD1 4.46Å; V316-L567 HydrophobicContact CG2-CD1 3.86Å; I359-L567 HydrophobicContact CD1-CD1 3.73Å; I359-L567 HydrophobicContact CD1-CD2 3.37Å; I359-L567 HydrophobicContact CD1-CG 4.13Å; I359-L567 HydrophobicContact CG1-CD2 3.78Å; C560-L567 HydrophobicContact CB-CD1 3.99Å; L567-L569 HydrophobicContact CD2-CD2 4.3Å; L567-L569 HydrophobicContact CD2-CG 4.39Å; L567-L569 HydrophobicContact CG-CD2 4.46Å; L567-L654 HydrophobicContact CB-CB 4.25Å; L567-L654 HydrophobicContact CD2-CD2 4.01Å; L567-L654 PolarHBondContact N-O 2.92Å; L567-L654 PolarHBondContact O-N 3.16Å
568F79Confident69.8Low6 Ų631.8 Ų31.83%0.02619%0.185CC..EExtended strand (participates in β ladder)trans-105.7125.9176.4-57.6-78.2000108.7I32 L39 L60 C560 A561 G563 C566 F651 V653I32-F568 HydrophobicContact CD1-CB 4.41Å; L39-F568 HydrophobicContact CD1-CB 3.82Å; L39-F568 HydrophobicContact CD1-CD1 3.61Å; L39-F568 HydrophobicContact CD1-CD2 4.08Å; L39-F568 HydrophobicContact CD1-CE1 4.16Å; L39-F568 HydrophobicContact CD1-CG 3.56Å; L39-F568 HydrophobicContact CD2-CB 4.33Å; L39-F568 HydrophobicContact CD2-CD2 4.02Å; L39-F568 HydrophobicContact CD2-CG 4.19Å; L39-F568 HydrophobicContact CG-CG 4.47Å; L60-F568 HydrophobicContact CD1-CE1 4.31Å; L60-F568 HydrophobicContact CD1-CE2 4.3Å; L60-F568 HydrophobicContact CD1-CZ 3.74Å; L60-F568 HydrophobicContact CD2-CD1 4.25Å; L60-F568 HydrophobicContact CD2-CE1 3.5Å; L60-F568 HydrophobicContact CD2-CZ 3.83Å; L60-F568 HydrophobicContact CG-CZ 4.47Å; C560-F568 CarbonylContact C-O 3.6Å; C560-F568 WeakPolarHBondContact CA-O 3.46Å; A561-F568 PolarHBondContact N-O 2.88Å; A561-F568 PolarHBondContact O-N 3.27Å; G563-F568 WeakPolarHBondContact O-CE2 3.45Å; C566-F568 HydrophobicContact CB-CE1 4.19Å; C566-F568 HydrophobicContact CB-CE2 4.03Å; C566-F568 HydrophobicContact CB-CZ 3.76Å; F568-F651 HydrophobicContact CB-CE2 4.38Å; F568-F651 HydrophobicContact CB-CZ 4.48Å; F568-F651 HydrophobicContact CD1-CE2 4.43Å; F568-F651 AromaticContact CD1-CZ 3.74Å; F568-F651 HydrophobicContact CD1-CZ 3.74Å; F568-F651 HydrophobicContact CE1-CZ 4.47Å; F568-V653 HydrophobicContact CD1-CB 4.42Å; F568-V653 HydrophobicContact CD1-CG1 4.01Å; F568-V653 HydrophobicContact CD1-CG2 3.91Å; F568-V653 HydrophobicContact CE1-CB 4.5Å; F568-V653 HydrophobicContact CE1-CG1 3.74Å; F568-V653 HydrophobicContact CE1-CG2 4.05Å
569L78.2Confident67.8Low4 Ų436 Ų362%0.02121%0.211CC..EExtended strand (participates in β ladder)trans-112133.1173.8-63176.6000109.5W7 I359 L504 F558 S559 C560 L567 F651 F652W7-L569 HydrophobicContact CH2-CD1 3.35Å; W7-L569 HydrophobicContact CH2-CG 4.44Å; W7-L569 HydrophobicContact CZ2-CD1 4.49Å; W7-L569 HydrophobicContact CZ3-CD1 3.66Å; W7-L569 HydrophobicContact CZ3-CG 4.39Å; I359-L569 HydrophobicContact CD1-CD2 4.35Å; L504-L569 HydrophobicContact CD1-CD1 3.55Å; F558-L569 HydrophobicContact CD2-CD2 3.6Å; F558-L569 HydrophobicContact CE2-CD2 3.76Å; F558-L569 HydrophobicContact CG-CD2 4.49Å; S559-L569 WeakPolarHBondContact O-CA 3.33Å; C560-L569 HydrophobicContact CB-CD2 3.43Å; C560-L569 VanDerWaalsContact CB-CD2 3.43Å; L567-L569 HydrophobicContact CD2-CD2 4.3Å; L567-L569 HydrophobicContact CD2-CG 4.39Å; L567-L569 HydrophobicContact CG-CD2 4.46Å; L569-F651 WeakPolarHBondContact O-CA 3.44Å; L569-F652 HydrophobicContact CB-CB 4.37Å; L569-F652 PolarHBondContact N-O 3.02Å; L569-F652 PolarHBondContact O-N 3.08Å
570F80.5Confident65.4Low1 Ų144.6 Ų44.60%0.00424%0.24CC..EExtended strand (participates in β ladder)trans-131.6138.5178.1176.4-89.9000111.4P24 R27 A30 I32 V41 W65 F558 S559 A649 F651P24-F570 HydrophobicContact CB-CE2 4.27Å; P24-F570 HydrophobicContact CB-CZ 3.9Å; P24-F570 HydrophobicContact CG-CE2 4.05Å; P24-F570 HydrophobicContact CG-CZ 4.09Å; R27-F570 HydrophobicContact CG-CE1 3.74Å; R27-F570 HydrophobicContact CG-CZ 4.07Å; A30-F570 HydrophobicContact CB-CD1 3.93Å; A30-F570 HydrophobicContact CB-CE1 3.69Å; I32-F570 HydrophobicContact CD1-CB 3.72Å; V41-F570 HydrophobicContact CB-CE1 4.48Å; V41-F570 HydrophobicContact CG1-CD1 3.71Å; V41-F570 HydrophobicContact CG1-CE1 3.27Å; V41-F570 HydrophobicContact CG1-CE2 4.13Å; V41-F570 HydrophobicContact CG1-CG 4.33Å; V41-F570 HydrophobicContact CG1-CZ 3.51Å; V41-F570 HydrophobicContact CG2-CD1 4.2Å; V41-F570 HydrophobicContact CG2-CD2 4.1Å; V41-F570 HydrophobicContact CG2-CE1 4.43Å; V41-F570 HydrophobicContact CG2-CE2 4.31Å; V41-F570 HydrophobicContact CG2-CG 4.05Å; V41-F570 HydrophobicContact CG2-CZ 4.49Å; W65-F570 AromaticContact CH2-CD2 3.7Å; W65-F570 HydrophobicContact CH2-CD2 3.7Å; W65-F570 AromaticContact CH2-CE2 3.61Å; W65-F570 HydrophobicContact CH2-CE2 3.61Å; W65-F570 HydrophobicContact CZ2-CD2 4.05Å; W65-F570 AromaticContact CZ2-CE2 3.95Å; W65-F570 HydrophobicContact CZ2-CE2 3.95Å; W65-F570 HydrophobicContact CZ3-CE2 4.42Å; F558-F570 WeakPolarHBondContact CA-O 3.38Å; S559-F570 PolarHBondContact N-O 2.88Å; S559-F570 PolarHBondContact O-N 3.48Å; F570-A649 HydrophobicContact CD2-CB 4.41Å; F570-A649 HydrophobicContact CE2-CB 3.43Å; F570-A649 VanDerWaalsContact CE2-CB 3.43Å; F570-A649 HydrophobicContact CZ-CB 3.48Å; F570-A649 VanDerWaalsContact CZ-CB 3.48Å; F570-F651 HydrophobicContact CB-CD2 4.43Å; F570-F651 HydrophobicContact CD2-CD2 4.21Å
571G75.6Confident63.1Low3 Ų349.1 Ų49.13%0.03127%0.269CS..  trans76.8-163.5171.900000113.4R27 C555 Q650R27-G571 CarbonylContact O-C 3.6Å; R27-G571 WeakPolarHBondContact O-CA 3.41Å; C555-G571 WeakPolarHBondContact CB-O 3.49Å; G571-Q650 PolarHBondContact N-O 3.1Å
572G68.8Low60.6Low2 Ų255.3 Ų55.32%0.02130%0.301CS..  trans112.1149.9-172.600000113.3K26 R27 L556K26-G572 WeakPolarHBondContact CE-O 3.43Å; R27-G572 PolarHBondContact O-N 2.81Å; L556-G572 CarbonylContact O-C 3.42Å; L556-G572 VanDerWaalsContact O-CA 3.24Å; L556-G572 WeakPolarHBondContact O-CA 3.46Å
573L60.1Low58.2Low24 Ų2461.3 Ų61.313%0.12633%0.329CS..BIsolated β-bridgetrans-102.2143.3171.7-59.3176.3000111.1F28 K47 E554 L556F28-L573 HydrophobicContact CB-CG 4.15Å; F28-L573 HydrophobicContact CD1-CD1 3.4Å; F28-L573 HydrophobicContact CD1-CD2 4.2Å; F28-L573 HydrophobicContact CD1-CG 3.71Å; F28-L573 HydrophobicContact CE1-CD1 3.78Å; F28-L573 HydrophobicContact CG-CD1 4.24Å; F28-L573 HydrophobicContact CG-CG 4.3Å; K47-L573 VanDerWaalsContact CA-CD1 3.49Å; K47-L573 HydrophobicContact CB-CD1 3.75Å; K47-L573 HydrophobicContact CB-CD2 4.07Å; K47-L573 HydrophobicContact CG-CD1 4.03Å; E554-L573 CarbonylContact C-O 3.41Å; E554-L573 CarbonylContact O-C 3.21Å; L556-L573 HydrophobicContact CB-CB 4.41Å; L556-L573 PolarHBondContact N-O 3.37Å; L556-L573 PolarHBondContact O-N 3.29Å
574T57.6Low55.9Low4 Ų467.7 Ų67.73%0.02536%0.361CS..  trans-113.5142.5176.857.20000110.5K26 P553 E554 S576 D577K26-T574 PolarHBondContact NZ-OG1 2.97Å; P553-T574 HydrophobicContact CB-CG2 4.41Å; P553-T574 WeakPolarHBondContact O-CG2 3.42Å; E554-T574 HydrophobicContact CB-CG2 4.29Å; E554-T574 WeakPolarHBondContact O-CA 3.47Å; E554-T574 WeakPolarHBondContact O-CG2 3.44Å; E554-T574 PolarHBondContact O-N 3.43Å; T574-S576 WeakPolarHBondContact CB-OG 3.42Å; T574-S576 PolarHBondContact O-N 3.46Å; T574-S576 PolarHBondContact OG1-OG 3.33Å; T574-D577 PolarHBondContact N-OD2 2.88Å; T574-D577 WeakPolarHBondContact O-CB 3.4Å; T574-D577 VanDerWaalsContact O-CG 3.23Å; T574-D577 PolarHBondContact O-N 2.93Å; T574-D577 VanDerWaalsContact O-N 3.09Å; T574-D577 VanDerWaalsContact O-OD2 3.07Å; T574-D577 VanDerWaalsContact OG1-CG 3.27Å; T574-D577 PolarHBondContact OG1-OD1 3.09Å; T574-D577 VanDerWaalsContact OG1-OD1 3.11Å; T574-D577 PolarHBondContact OG1-OD2 3.48Å
575D50.7Low53.8Low83 Ų8367.1 Ų67.144%0.44437%0.367SS..G310 helixtrans-63.2-23.1173.7-75.2-11.2000113.1E554 D577 D578E554-D575 VanDerWaalsContact OE2-CB 3.27Å; E554-D575 WeakPolarHBondContact OE2-CB 3.43Å; E554-D575 VanDerWaalsContact OE2-CG 3.28Å; E554-D575 PolarHBondContact OE2-N 3.09Å; D575-D577 PolarHBondContact O-N 3.31Å; D575-D578 PolarHBondContact O-N 3.48Å; D575-D578 VanDerWaalsContact O-N 3.08Å
576S47Very low51.9Low57 Ų5772 Ų7240%0.39938%0.384SS..G310 helixtrans-60-14173.959.90000114.1T574 D578 V579T574-S576 WeakPolarHBondContact CB-OG 3.42Å; T574-S576 PolarHBondContact O-N 3.46Å; T574-S576 PolarHBondContact OG1-OG 3.33Å; S576-D578 PolarHBondContact O-N 2.99Å; S576-V579 PolarHBondContact O-N 3.35Å
577D46.3Very low49.7Very low71 Ų7176.7 Ų76.738%0.3841%0.412SS..G310 helixtrans-67.6-16175.6-63.7-29.7000112.7K26 T574 D575 V579K26-D577 WeakPolarHBondContact CE-OD2 3.25Å; K26-D577 IonicContact NZ-OD1 2.98Å; K26-D577 PolarHBondContact NZ-OD1 3.05Å; K26-D577 IonicContact NZ-OD2 2.66Å; K26-D577 PolarHBondContact NZ-OD2 2.95Å; T574-D577 PolarHBondContact N-OD2 2.88Å; T574-D577 WeakPolarHBondContact O-CB 3.4Å; T574-D577 VanDerWaalsContact O-CG 3.23Å; T574-D577 PolarHBondContact O-N 2.93Å; T574-D577 VanDerWaalsContact O-N 3.09Å; T574-D577 VanDerWaalsContact O-OD2 3.07Å; T574-D577 VanDerWaalsContact OG1-CG 3.27Å; T574-D577 PolarHBondContact OG1-OD1 3.09Å; T574-D577 VanDerWaalsContact OG1-OD1 3.11Å; T574-D577 PolarHBondContact OG1-OD2 3.48Å; D575-D577 PolarHBondContact O-N 3.31Å; D577-V579 VanDerWaalsContact C-N 3.32Å
578D41Very low47.5Very low111 Ų11185.8 Ų85.859%0.59445%0.452SS*.G310 helixtrans-80.2-9.6177.6-74.9-29.1000114.2K47 D575 S576 R580K47-D578 IonicContact NZ-OD1 2.74Å; K47-D578 PolarHBondContact NZ-OD1 3.02Å; K47-D578 IonicContact NZ-OD2 3.59Å; K47-D578 PolarHBondContact NZ-OD2 2.78Å; D575-D578 PolarHBondContact O-N 3.48Å; D575-D578 VanDerWaalsContact O-N 3.08Å; S576-D578 PolarHBondContact O-N 2.99Å; D578-R580 VanDerWaalsContact C-N 3.3Å; D578-R580 PolarHBondContact O-N 2.9Å
579V34Very low44.8Very low98 Ų9893.2 Ų93.259%0.59449%0.487SS*.  trans-79.184.4177.8-170.90000108.9S576 D577S576-V579 PolarHBondContact O-N 3.35Å; D577-V579 VanDerWaalsContact C-N 3.32Å
580R32.8Very low42.4Very low204 Ų20498.2 Ų98.277%0.7752%0.52SS*.  trans-55.4124.7159.4-70.3-173.7-174.5-172.32.6107D578 N582D578-R580 VanDerWaalsContact C-N 3.3Å; D578-R580 PolarHBondContact O-N 2.9Å; R580-N582 PolarHBondContact O-N 2.79Å
581P35.3Very low39.7Very low114 Ų114106.3 Ų106.374%0.7456%0.562SS**  trans-57.8117.7172.423.1-29.8000106.8E583P581-E583 PolarHBondContact O-N 2.78Å
582N32.1Very low37.4Very low141 Ų141113.5 Ų113.575%0.75460%0.598SS**  trans-38.2108.6-177.1-76.8-27.3000111R580 N584R580-N582 PolarHBondContact O-N 2.79Å; N582-N584 PolarHBondContact O-N 2.77Å
583E32.6Very low35.4Very low173 Ų173120.5 Ų120.581%0.80864%0.635SS**THydrogen-bonded Turntrans-67.520.9172.4-74.4-173.5149.900112.9P581P581-E583 PolarHBondContact O-N 2.78Å
584N30.9Very low33.6Very low142 Ų142123.2 Ų123.276%0.75967%0.669SS**THydrogen-bonded Turntrans-98.613-179.4-76.2-8.8000114.1N582N582-N584 PolarHBondContact O-N 2.77Å
585V32.3Very low32.1Very low117 Ų117128.6 Ų128.671%0.70971%0.707SS**SBendtrans-11286.9168.7-1700000107.9
586N28.5Very low30.9Very low137 Ų137133.5 Ų133.573%0.73373%0.727SS**  trans161.420.5146.1-78.3-22.4000115.2F588N586-F588 PolarHBondContact O-N 2.63Å; N586-F588 VanDerWaalsContact O-N 3.1Å
587T27.4Very low30Very low116 Ų116138.9 Ų138.971%0.71275%0.751SS**  trans-83.760.8159.68.50000110.7Q589T587-Q589 HydrophobicContact CG2-CG 4.39Å; T587-Q589 PolarHBondContact O-N 3.12Å
588F26.1Very low28.9Very low193 Ų193146 Ų14685%0.84677%0.773SS**  trans-7381.5152.1-86.9-82.5000106.8N586 P590N586-F588 PolarHBondContact O-N 2.63Å; N586-F588 VanDerWaalsContact O-N 3.1Å; F588-P590 WeakPolarHBondContact O-CD 3.31Å
589Q24Very low28.1Very low162 Ų162147 Ų14776%0.75778%0.778SS**  trans-65.7119.1164.3-80.9-175.1-25.800107.3T587 L591T587-Q589 HydrophobicContact CG2-CG 4.39Å; T587-Q589 PolarHBondContact O-N 3.12Å; Q589-L591 PolarHBondContact O-N 3.49Å
590P26.5Very low27.9Very low109 Ų109150.1 Ų150.171%0.70879%0.792SS**  trans-63.4129.1174.6-11.225.6000107.7F588 I592F588-P590 WeakPolarHBondContact O-CD 3.31Å; P590-I592 PolarHBondContact O-N 3.46Å
591L24Very low27.5Very low171 Ų171147.5 Ų147.590%0.89579%0.793SS**  trans-56.486.4170.1-76.1150.5000109.3Q589 N593Q589-L591 PolarHBondContact O-N 3.49Å; L591-N593 PolarHBondContact O-N 3.07Å
592I27.4Very low27.2Very low155 Ų155149.2 Ų149.280%0.79580%0.796SS**  trans-80.7106.3166.3-63.7177.7000105.7P590 G594P590-I592 PolarHBondContact O-N 3.46Å; I592-G594 PolarHBondContact O-N 2.98Å
593N26Very low26.9Very low149 Ų149149 Ų14980%0.79779%0.794SS**  trans-43.7130.2175.3-83.6-28.9000111.4L591 S595L591-N593 PolarHBondContact O-N 3.07Å; N593-S595 PolarHBondContact O-N 2.91Å
594G23.6Very low26.6Very low81 Ų81151.8 Ų151.884%0.83580%0.799SS**  trans-56130.7178.100000111.9I592I592-G594 PolarHBondContact O-N 2.98Å
595S26.5Very low26.5Very low117 Ų117152.6 Ų152.682%0.81880%0.798SS**  trans-134.5129.1144.663.20000107.6N593N593-S595 PolarHBondContact O-N 2.91Å
596Q24.6Very low26Very low185 Ų185158.2 Ų158.286%0.86481%0.807SS**  trans-58.7138.4-176.8-61.5167.2-9.500110
597N27.7Very low26Very low170 Ų170159.7 Ų159.791%0.90981%0.809SS**  trans-153.6131.6133.5-100-23.3000111.2
598R23.4Very low25.8Very low221 Ų221161 Ų16183%0.83481%0.812SS**  trans-80.1156.9-172.6-82.6175.8166.9176.3-4.4111.7
599N24.9Very low25.8Very low131 Ų131159.4 Ų159.470%0.70181%0.811SS**  trans64.9111.5147.8-61.3-7.1000117.2
600D29.4Very low26.3Very low165 Ų165157 Ų15788%0.88281%0.81SS**  -152.293.3126.4-87.7-28.5000107.9
601N24Very low26.1Very low148 Ų148157.1 Ų157.179%0.79181%0.814SS**  trans-84.3114.5160-79.2-33.5000105.8
602D29.6Very low26.3Very low151 Ų151155.1 Ų155.181%0.80781%0.808SS**  trans-145.5124151.9-98.4-30.6000112.1
603L24.5Very low26Very low137 Ų137157.5 Ų157.572%0.71781%0.813SS**  trans-59.2135.4176.2-7871.7000110.6
604Y27.7Very low25.9Very low230 Ų230159.1 Ų159.190%0.90282%0.816SS**  trans-131.6126.9146.7-89.2-81.6000112
605Q27.9Very low25.9Very low160 Ų160161 Ų16175%0.74882%0.816SS**  trans-71.3143.6-165.9-70172.6-21.500113.1H607Q605-H607 PolarHBondContact O-N 2.91Å
606R22.7Very low25.8Very low235 Ų235160.5 Ų160.589%0.88781%0.813SS**  trans-65117.5166.2-72.9177.6178.2179.6-1.5110.4
607H28.7Very low25.6Very low168 Ų168163.1 Ų163.178%0.77882%0.815SS**  trans-105104.5156.8-89.2-69.4000109.7Q605Q605-H607 PolarHBondContact O-N 2.91Å
608N23Very low25.4Very low144 Ų144160.3 Ų160.377%0.7781%0.809SS**  trans-72.2127.1160-77.9-25000108.4
609N26.5Very low25.4Very low158 Ų158155 Ų15585%0.84581%0.806SS**  trans-136.7116.4157.9-101.2-16.2000109.2
610P33Very low25.3Very low113 Ų113154.8 Ų154.873%0.73481%0.809SS**  trans-98.3132.417735.6-27.7000111
611S23.9Very low25.1Very low111 Ų111154.6 Ų154.678%0.77681%0.807SS**  trans157136.4160.344.40000105.1
612T26.4Very low25Very low128 Ų128155.2 Ų155.279%0.78581%0.81SS**  cis-161.8138.241-35.70000107.8Q614T612-Q614 PolarHBondContact O-N 3.39Å
613F22Very low24.7Very low205 Ų205150.7 Ų150.790%0.89980%0.8SS**  trans-56.9124.5162.7-96.3-102.8000110.2
614Q24.1Very low24.6Very low183 Ų183149.2 Ų149.286%0.85580%0.801SS**  trans-141.1115147-82.3-164.7-18.400110.4T612T612-Q614 PolarHBondContact O-N 3.39Å
615S22.7Very low24.5Very low120 Ų120146.7 Ų146.784%0.83980%0.802SS**  trans-74125.6166.254.10000110.3
616S24.7Very low24.3Very low108 Ų108144.6 Ų144.676%0.75580%0.8SS**  trans-152.699.7160.946.60000111
617R21.5Very low24.3Very low239 Ų239142.2 Ų142.290%0.90280%0.799SS**  trans25122.1137.8-70.4-178.2174.1-177.7-2.2119
618S21.8Very low24.1Very low112 Ų112137.7 Ų137.778%0.78380%0.798SS**  trans39.9108.513567.50000118.1
619S25Very low24.1Very low109 Ų109139.7 Ų139.776%0.76280%0.802SS**  trans-148.7133.9138.251.90000110.5L621S619-L621 PolarHBondContact O-N 2.99Å
620V23Very low24Very low126 Ų126140.1 Ų140.176%0.76480%0.804SS**  trans-55.8121.7174.9173.40000109.3
621L24.6Very low23.5Very low161 Ų161138.6 Ų138.684%0.84380%0.8SS**  trans-118.886.8166.2-83.7165.3000109.2S619 G623S619-L621 PolarHBondContact O-N 2.99Å; L621-G623 VanDerWaalsContact C-N 3.29Å; L621-G623 PolarHBondContact O-N 3.3Å; L621-G623 VanDerWaalsContact O-N 3.09Å
622N21.1Very low23.7Very low161 Ų161139 Ų13986%0.86180%0.8SS**  trans-62.195.4149.3-83.6-22.9000107.3
623G24.5Very low23.5Very low57 Ų57139 Ų13959%0.58881%0.805SS**  trans-121.298.2174.500000109.6L621 L625L621-G623 VanDerWaalsContact C-N 3.29Å; L621-G623 PolarHBondContact O-N 3.3Å; L621-G623 VanDerWaalsContact O-N 3.09Å; G623-L625 PolarHBondContact O-N 3.48Å; G623-L625 VanDerWaalsContact O-N 3.13Å
624S22.2Very low23.8Very low106 Ų106134 Ų13474%0.74179%0.791SS**  trans-42.5112167.71790000111T626S624-T626 VanDerWaalsContact C-N 3.31Å; S624-T626 PolarHBondContact O-N 3.34Å
625L25Very low23.8Very low176 Ų176133.3 Ų133.392%0.92179%0.793SS**  trans-71.887.7172.1-87.5153000108.8G623 Q627G623-L625 PolarHBondContact O-N 3.48Å; G623-L625 VanDerWaalsContact O-N 3.13Å; L625-Q627 PolarHBondContact O-N 3.43Å
626T23.5Very low24Very low117 Ų117135.8 Ų135.872%0.71879%0.791SS**  trans-70112.6168.548.40000110S624 G628S624-T626 VanDerWaalsContact C-N 3.31Å; S624-T626 PolarHBondContact O-N 3.34Å; T626-G628 PolarHBondContact O-N 3.37Å
627Q24.1Very low24.1Very low184 Ų184136 Ų13686%0.8679%0.792SS**  trans17.586.4150-74.8173.8-27.500116.8L625 H629L625-Q627 PolarHBondContact O-N 3.43Å; Q627-H629 PolarHBondContact O-N 3.3Å
628G24.1Very low24.7Very low73 Ų73129.6 Ų129.675%0.75378%0.782SS**  trans-73.5106.9155.400000109.7T626 L630T626-G628 PolarHBondContact O-N 3.37Å; G628-L630 PolarHBondContact O-N 2.84Å; G628-L630 VanDerWaalsContact O-N 3.08Å
629H22.6Very low25.1Very low186 Ų186131 Ų13186%0.86178%0.78SS**  trans-56.5101.8168.8-105-91.5000110.4Q627Q627-H629 PolarHBondContact O-N 3.3Å
630L23.4Very low25.2Very low167 Ų167131.5 Ų131.587%0.87478%0.779SS**  trans-104.8104.8159.5-75.7170000107.4G628G628-L630 PolarHBondContact O-N 2.84Å; G628-L630 VanDerWaalsContact O-N 3.08Å
631A23.5Very low25.4Very low81 Ų81132.9 Ų132.967%0.66978%0.781SS**  trans-63.3133.7177.400000110.4C633A631-C633 PolarHBondContact O-N 3.42Å
632P27.1Very low25.5Very low119 Ų119133.9 Ų133.977%0.77377%0.774SS**  trans-86.1103.8-17432.3-30.6000110.7V634P632-V634 PolarHBondContact O-N 2.71Å
633C22.9Very low26.4Very low130 Ų130131 Ų13188%0.87876%0.764SS**  trans-91.184.7164.9-62.80000108.7A631A631-C633 PolarHBondContact O-N 3.42Å
634V27.5Very low27.1Very low99 Ų99134.5 Ų134.560%0.676%0.761SS**  trans-120.393.6169.9-176.80000108.1P632 H636P632-V634 PolarHBondContact O-N 2.71Å; V634-H636 PolarHBondContact O-N 2.9Å
635N24.7Very low27.6Very low169 Ų169132.6 Ų132.690%0.90475%0.746SS**  trans-75106.5163.9-79.9-21.4000107.7S637N635-S637 PolarHBondContact O-N 3.07Å
636H26.4Very low28.3Very low171 Ų171130.5 Ų130.579%0.79274%0.743SS**  trans-70.5114.4174.4-73.2-76.4000110.5V634V634-H636 PolarHBondContact O-N 2.9Å
637S27Very low29.5Very low112 Ų112127.5 Ų127.578%0.78374%0.735SS**  trans-95.1123.7149.757.50000107.8N635N635-S637 PolarHBondContact O-N 3.07Å
638P34.9Very low30.8Very low106 Ų106120 Ų12069%0.68870%0.702SS**  trans-79.5159.9-178.133.8-32.2000111.1
639D29.1Very low32.1Very low141 Ų141116.9 Ų116.975%0.75467%0.669SS**  trans85.352.8159.7-51.1-25.7000118.8
640T27.3Very low33.7Very low120 Ų120110.8 Ų110.874%0.73664%0.641SS**  trans-13188.1145.6-24.60000109.5Y642T640-Y642 VanDerWaalsContact C-N 3.31Å; T640-Y642 HydrophobicContact CG2-CE2 4.32Å; T640-Y642 PolarHBondContact O-N 2.77Å
641I27.9Very low35.2Very low155 Ų155103.2 Ų103.280%0.79560%0.601SS**  trans-69.690.2173.4-58.3170.1000107.3
642Y26.3Very low36.7Very low182 Ų182100.5 Ų100.571%0.71457%0.574SS**  trans-66.2128.1157.6-82.4-87.3000107.2T640 Y644T640-Y642 VanDerWaalsContact C-N 3.31Å; T640-Y642 HydrophobicContact CG2-CE2 4.32Å; T640-Y642 PolarHBondContact O-N 2.77Å; Y642-Y644 PolarHBondContact O-N 2.87Å
643P39.8Very low37.8Very low100 Ų10096.2 Ų96.265%0.64955%0.545SS*.SBendtrans-68.7-1.8-17624.2-29.9000113.7
644Y38.8Very low39.1Very low131 Ų13190.1 Ų90.151%0.51450%0.504SS..SBendtrans-134.1120.4179.7-55.7-71.8000109.2S9 Y642S9-Y644 WeakPolarHBondContact OG-CE1 3.41Å; Y642-Y644 PolarHBondContact O-N 2.87Å
645P34.3Very low39.8Very low65 Ų6594.4 Ų94.442%0.42251%0.51SS..  trans-59.1125.1169.816.1-19.7000108.4G647 T648P645-G647 PolarHBondContact O-N 3.01Å; P645-T648 HydrophobicContact CB-CG2 4.48Å; P645-T648 HydrophobicContact CG-CG2 3.88Å; P645-T648 PolarHBondContact O-N 3.39Å; P645-T648 PolarHBondContact O-OG1 3.49Å
646P39.4Very low40.5Very low132 Ų13287 Ų8786%0.85747%0.472SS*.THydrogen-bonded Turntrans-56.3127.8-179.219.4-29.4000110.1
647G49.3Very low40.8Very low54 Ų5490.6 Ų90.656%0.55748%0.479SS*.THydrogen-bonded Turntrans105.4-4.4175.800000117.1K26 P645K26-G647 PolarHBondContact N-O 3.02Å; P645-G647 PolarHBondContact O-N 3.01Å
648T50.2Low41.3Very low28 Ų2886.5 Ų86.517%0.17245%0.451CS..BIsolated β-bridgetrans-78.2144.3174.355.10000112.4S23 P645 Q650S23-T648 WeakPolarHBondContact OG-CG2 3.43Å; P645-T648 HydrophobicContact CB-CG2 4.48Å; P645-T648 HydrophobicContact CG-CG2 3.88Å; P645-T648 PolarHBondContact O-N 3.39Å; P645-T648 PolarHBondContact O-OG1 3.49Å; T648-Q650 PolarHBondContact O-N 3.01Å
649A51.1Low41.2Very low7 Ų781.5 Ų81.56%0.05842%0.419CS..PPolyproline II helixtrans-58.3134.317200000110.4P24 S25 F570P24-A649 HydrophobicContact CB-CB 4.16Å; P24-A649 WeakPolarHBondContact O-CB 3.46Å; P24-A649 PolarHBondContact O-N 3.38Å; S25-A649 WeakPolarHBondContact O-CB 3.33Å; F570-A649 HydrophobicContact CD2-CB 4.41Å; F570-A649 HydrophobicContact CE2-CB 3.43Å; F570-A649 VanDerWaalsContact CE2-CB 3.43Å; F570-A649 HydrophobicContact CZ-CB 3.48Å; F570-A649 VanDerWaalsContact CZ-CB 3.48Å
650Q57Low41.2Very low57 Ų5778.2 Ų78.227%0.26641%0.412SS..PPolyproline II helixtrans-80.1135.5174.7-56.9-175.3-12.200109.4G571 T648 F652G571-Q650 PolarHBondContact N-O 3.1Å; T648-Q650 PolarHBondContact O-N 3.01Å; Q650-F652 HydrophobicContact CB-CD2 4.19Å; Q650-F652 HydrophobicContact CB-CE2 3.27Å; Q650-F652 HydrophobicContact CB-CZ 3.64Å; Q650-F652 HydrophobicContact CG-CE2 4.23Å; Q650-F652 HydrophobicContact CG-CZ 4.23Å
651F54.9Low41.3Very low8 Ų873.4 Ų73.44%0.03539%0.386CS..EExtended strand (participates in β ladder)trans-131.9127.5180177.9-93.5000108.6P10 L39 Y58 W65 F568 L569 F570 V653P10-F651 HydrophobicContact CG-CD1 3.39Å; P10-F651 HydrophobicContact CG-CE1 3.55Å; L39-F651 HydrophobicContact CD1-CE2 3.46Å; L39-F651 VanDerWaalsContact CD1-CE2 3.46Å; L39-F651 HydrophobicContact CD1-CZ 3.44Å; L39-F651 VanDerWaalsContact CD1-CZ 3.44Å; Y58-F651 AromaticContact CD1-CE1 3.91Å; Y58-F651 HydrophobicContact CD1-CE1 3.91Å; Y58-F651 HydrophobicContact CD1-CE2 4.27Å; Y58-F651 AromaticContact CD1-CZ 3.67Å; Y58-F651 HydrophobicContact CD1-CZ 3.67Å; Y58-F651 HydrophobicContact CE1-CD1 4.32Å; Y58-F651 AromaticContact CE1-CE1 3.57Å; Y58-F651 HydrophobicContact CE1-CE1 3.57Å; Y58-F651 AromaticContact CE1-CZ 3.81Å; Y58-F651 HydrophobicContact CE1-CZ 3.81Å; Y58-F651 HydrophobicContact CG-CZ 4.47Å; W65-F651 HydrophobicContact CH2-CD2 4.3Å; W65-F651 HydrophobicContact CZ2-CB 4.16Å; W65-F651 AromaticContact CZ2-CD2 3.96Å; W65-F651 HydrophobicContact CZ2-CD2 3.96Å; W65-F651 HydrophobicContact CZ2-CG 4.13Å; F568-F651 HydrophobicContact CB-CE2 4.38Å; F568-F651 HydrophobicContact CB-CZ 4.48Å; F568-F651 HydrophobicContact CD1-CE2 4.43Å; F568-F651 AromaticContact CD1-CZ 3.74Å; F568-F651 HydrophobicContact CD1-CZ 3.74Å; F568-F651 HydrophobicContact CE1-CZ 4.47Å; L569-F651 WeakPolarHBondContact O-CA 3.44Å; F570-F651 HydrophobicContact CB-CD2 4.43Å; F570-F651 HydrophobicContact CD2-CD2 4.21Å; F651-V653 HydrophobicContact CD1-CG2 4.26Å; F651-V653 HydrophobicContact CE1-CG2 3.49Å; F651-V653 VanDerWaalsContact CE1-CG2 3.49Å; F651-V653 HydrophobicContact CZ-CG2 4.08Å
652F54.6Low41.2Very low24 Ų2467.8 Ų67.811%0.10536%0.359CS..EExtended strand (participates in β ladder)trans-133.9138.7-172.8-59.2-78000111.3W7 P552 L569 Q650W7-F652 HydrophobicContact CB-CD1 4.46Å; W7-F652 HydrophobicContact CE3-CB 3.49Å; W7-F652 VanDerWaalsContact CE3-CB 3.49Å; W7-F652 HydrophobicContact CE3-CD1 4.46Å; W7-F652 HydrophobicContact CE3-CG 4.26Å; W7-F652 HydrophobicContact CZ3-CB 3.64Å; P552-F652 HydrophobicContact CB-CD1 4.5Å; P552-F652 HydrophobicContact CB-CD2 3.87Å; P552-F652 HydrophobicContact CB-CE1 3.98Å; P552-F652 HydrophobicContact CB-CE2 3.22Å; P552-F652 HydrophobicContact CB-CG 4.44Å; P552-F652 HydrophobicContact CB-CZ 3.31Å; P552-F652 HydrophobicContact CG-CB 4.29Å; P552-F652 HydrophobicContact CG-CD1 3.58Å; P552-F652 HydrophobicContact CG-CD2 3.19Å; P552-F652 HydrophobicContact CG-CE1 3.53Å; P552-F652 HydrophobicContact CG-CE2 3.09Å; P552-F652 HydrophobicContact CG-CG 3.41Å; P552-F652 VanDerWaalsContact CG-CG 3.41Å; P552-F652 HydrophobicContact CG-CZ 3.29Å; L569-F652 HydrophobicContact CB-CB 4.37Å; L569-F652 PolarHBondContact N-O 3.02Å; L569-F652 PolarHBondContact O-N 3.08Å; Q650-F652 HydrophobicContact CB-CD2 4.19Å; Q650-F652 HydrophobicContact CB-CE2 3.27Å; Q650-F652 HydrophobicContact CB-CZ 3.64Å; Q650-F652 HydrophobicContact CG-CE2 4.23Å; Q650-F652 HydrophobicContact CG-CZ 4.23Å
653V51.4Low41.2Very low29 Ų2960.4 Ų60.418%0.17633%0.331CS..EExtended strand (participates in β ladder)trans-116131.7178.8-170.50000109.8C566 F568 F651C566-V653 HydrophobicContact CB-CG1 3.96Å; F568-V653 HydrophobicContact CD1-CB 4.42Å; F568-V653 HydrophobicContact CD1-CG1 4.01Å; F568-V653 HydrophobicContact CD1-CG2 3.91Å; F568-V653 HydrophobicContact CE1-CB 4.5Å; F568-V653 HydrophobicContact CE1-CG1 3.74Å; F568-V653 HydrophobicContact CE1-CG2 4.05Å; F651-V653 HydrophobicContact CD1-CG2 4.26Å; F651-V653 HydrophobicContact CE1-CG2 3.49Å; F651-V653 VanDerWaalsContact CE1-CG2 3.49Å; F651-V653 HydrophobicContact CZ-CG2 4.08Å
654L49.6Very low40.9Very low2 Ų256.1 Ų56.11%0.0130%0.303CS..EExtended strand (participates in β ladder)trans-124127.1174.8-177.375.4000110.5L5 W7 C566 L567 L659 I664L5-L654 HydrophobicContact CB-CD1 4.06Å; L5-L654 HydrophobicContact CD1-CD1 4.07Å; L5-L654 HydrophobicContact CD2-CD1 3.78Å; L5-L654 HydrophobicContact CD2-CG 4.45Å; L5-L654 HydrophobicContact CG-CD1 4.16Å; W7-L654 HydrophobicContact CE3-CB 4.39Å; W7-L654 HydrophobicContact CH2-CB 4.3Å; W7-L654 HydrophobicContact CZ3-CB 3.95Å; C566-L654 CarbonylContact C-O 3.56Å; C566-L654 WeakPolarHBondContact CA-O 3.4Å; C566-L654 WeakPolarHBondContact CB-O 3.32Å; L567-L654 HydrophobicContact CB-CB 4.25Å; L567-L654 HydrophobicContact CD2-CD2 4.01Å; L567-L654 PolarHBondContact N-O 2.92Å; L567-L654 PolarHBondContact O-N 3.16Å; L654-L659 HydrophobicContact CD2-CD2 3.98Å; L654-I664 HydrophobicContact CD1-CD1 3.29Å; L654-I664 HydrophobicContact CD2-CD1 3.28Å; L654-I664 HydrophobicContact CG-CD1 3.84Å
655R43Very low41Very low189 Ų18952.4 Ų52.471%0.71329%0.292SS*.EExtended strand (participates in β ladder)trans-81.6130.1-178.4-73.3-174.4176.2-166.6-0.9112.8L5 A658L5-R655 HydrophobicContact CD2-CB 4.46Å; R655-A658 PolarHBondContact O-N 2.79Å
656A37.8Very low41.3Very low14 Ų1451.7 Ų51.712%0.11629%0.286CS..G310 helixtrans-75.6-23.4-173.700000116F562 G565 A658 L659F562-A656 HydrophobicContact CE2-CB 3.6Å; F562-A656 HydrophobicContact CZ-CB 4.16Å; G565-A656 WeakPolarHBondContact O-CA 3.44Å; G565-A656 WeakPolarHBondContact O-CB 3.29Å; G565-A656 PolarHBondContact O-N 3.29Å; A656-A658 PolarHBondContact O-N 2.97Å; A656-L659 HydrophobicContact CB-CD1 3.8Å; A656-L659 WeakPolarHBondContact O-CB 3.35Å; A656-L659 PolarHBondContact O-N 2.76Å
657R33.6Very low41.4Very low247 Ų24747.3 Ų47.393%0.93225%0.254SS*.G310 helixtrans-60-14.9171.4-78.4-170-172.5-178.82.7112.9
658A36.9Very low41Very low25 Ų2546.9 Ų46.921%0.20724%0.236CC..G310 helixtrans-95.2-2.6172.800000113.6L5 R655 A656 T662L5-A658 HydrophobicContact CD1-CB 3.45Å; L5-A658 VanDerWaalsContact CD1-CB 3.45Å; L5-A658 HydrophobicContact CD2-CB 3.19Å; L5-A658 HydrophobicContact CG-CB 3.4Å; L5-A658 VanDerWaalsContact CG-CB 3.4Å; R655-A658 PolarHBondContact O-N 2.79Å; A656-A658 PolarHBondContact O-N 2.97Å; A658-T662 WeakPolarHBondContact O-CB 3.26Å; A658-T662 PolarHBondContact O-OG1 3.39Å
659L32.7Very low40.4Very low1 Ų148.1 Ų48.11%0.00524%0.24CC..THydrogen-bonded Turntrans-86-22.4-178.6-66.4168.7000113.1L318 V357 L506 L654 A656 G661 T662L318-L659 HydrophobicContact CD1-CB 4.03Å; L318-L659 HydrophobicContact CD1-CD1 4.25Å; L318-L659 HydrophobicContact CD2-CD1 4.16Å; V357-L659 HydrophobicContact CG1-CD2 4.34Å; V357-L659 HydrophobicContact CG2-CB 4.33Å; V357-L659 HydrophobicContact CG2-CD1 4.14Å; V357-L659 HydrophobicContact CG2-CD2 4.34Å; L506-L659 HydrophobicContact CD2-CD2 3.3Å; L506-L659 HydrophobicContact CG-CD2 4.42Å; L654-L659 HydrophobicContact CD2-CD2 3.98Å; A656-L659 HydrophobicContact CB-CD1 3.8Å; A656-L659 WeakPolarHBondContact O-CB 3.35Å; A656-L659 PolarHBondContact O-N 2.76Å; L659-G661 VanDerWaalsContact C-N 3.32Å; L659-G661 PolarHBondContact O-N 3.3Å; L659-T662 PolarHBondContact O-N 3.35Å
660A28.7Very low39.7Very low73 Ų7350.8 Ų50.860%0.60325%0.252SS*.THydrogen-bonded Turntrans-68.390175.400000110
661G30.2Very low38.5Very low19 Ų1950.4 Ų50.420%0.19625%0.251CS..THydrogen-bonded Turntrans91.15.2179.200000115.8V541 L659V541-G661 VanDerWaalsContact CB-O 3.3Å; V541-G661 WeakPolarHBondContact CB-O 3.29Å; V541-G661 WeakPolarHBondContact CG2-O 3.45Å; V541-G661 PolarHBondContact N-O 2.91Å; L659-G661 VanDerWaalsContact C-N 3.32Å; L659-G661 PolarHBondContact O-N 3.3Å
662T25.9Very low37.2Very low37 Ų3753.6 Ų53.623%0.22727%0.268CS..  trans-118.8118.5178.9-21.50000111.4A658 L659A658-T662 WeakPolarHBondContact O-CB 3.26Å; A658-T662 PolarHBondContact O-OG1 3.39Å; L659-T662 PolarHBondContact O-N 3.35Å
663I27Very low35.8Very low27 Ų2756.1 Ų56.114%0.13828%0.281CS..  trans-77.6146.9165.7-80.4176.1000109.1L506 L538 P540L506-I663 WeakPolarHBondContact O-CG1 3.19Å; L538-I663 WeakPolarHBondContact O-CD1 3.4Å; P540-I663 HydrophobicContact CB-CB 3.64Å; P540-I663 HydrophobicContact CB-CD1 3.68Å; P540-I663 HydrophobicContact CB-CG1 4.07Å; P540-I663 HydrophobicContact CB-CG2 3.92Å; P540-I663 HydrophobicContact CG-CB 4.06Å; P540-I663 HydrophobicContact CG-CD1 3.26Å; P540-I663 HydrophobicContact CG-CG1 4.13Å; P540-I663 HydrophobicContact CG-CG2 4.03Å
664I32.4Very low34.3Very low10 Ų1058.5 Ų58.55%0.05129%0.291CS..  trans-1140170.2-60.5176000107L5 L506 L548 L654L5-I664 HydrophobicContact CD1-CD1 3.7Å; L5-I664 HydrophobicContact CD1-CG1 3.9Å; L506-I664 HydrophobicContact CB-CB 3.78Å; L506-I664 HydrophobicContact CB-CG1 4.46Å; L506-I664 WeakPolarHBondContact CB-O 3.47Å; L506-I664 HydrophobicContact CD2-CB 4Å; L506-I664 HydrophobicContact CD2-CD1 3.83Å; L506-I664 HydrophobicContact CD2-CG1 3.72Å; L506-I664 PolarHBondContact N-O 3.39Å; L548-I664 VanDerWaalsContact CD2-O 3.3Å; L548-I664 WeakPolarHBondContact CD2-O 3.48Å; L548-I664 WeakPolarHBondContact CD2-OXT 3.36Å; L548-I664 WeakPolarHBondContact CG-OXT 3.01Å; L548-I664 PolarHBondContact N-OXT 3.28Å; L654-I664 HydrophobicContact CD1-CD1 3.29Å; L654-I664 HydrophobicContact CD2-CD1 3.28Å; L654-I664 HydrophobicContact CG-CD1 3.84Å

Retrieved 664 of 664 residues in 928.5 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).