A0A096MUA6_PAPAN Loading...

Thrombopoietin receptor

Receptor for thrombopoietin that regulates hematopoietic stem cell renewal, megakaryocyte differentiation, and platelet formation. Upon activation by THPO, induces rapid tyrosine phosphorylation and activation of JAK2, providing docking sites for many signaling proteins such as STAT5, SHIP/INPP5D, GRB2, SOS1 and PI3K. In turn, These signaling cascades lead to the proliferation, survival, and differentiation of megakaryocytes, ultimately leading to increased platelet production.

AlphaFold DB , UniProt , Accession A0A096MUA6, Species PAPAN (Papio anubis, Olive baboon), Gene MPL, Length 635 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M42.3Very low40.6Very low241 Ų241125.4 Ų125.4100%1.18768%0.677SS**  0124.90-64.4-179.599.600107.2
2P46.1Very low40.1Very low70 Ų70124.1 Ų124.146%0.45568%0.682SS.*  trans-91.9155.7-160.237.5-34.5000112.6W4P2-W4 HydrophobicContact CB-CD2 4.01Å; P2-W4 VanDerWaalsContact CB-CE2 3.41Å; P2-W4 HydrophobicContact CB-CG 4.35Å; P2-W4 HydrophobicContact CB-CH2 4.41Å; P2-W4 HydrophobicContact CB-CZ2 3.64Å; P2-W4 HydrophobicContact CG-CD2 3.6Å; P2-W4 HydrophobicContact CG-CE3 3.87Å; P2-W4 HydrophobicContact CG-CG 4.27Å; P2-W4 HydrophobicContact CG-CH2 3.68Å; P2-W4 HydrophobicContact CG-CZ2 3.4Å; P2-W4 VanDerWaalsContact CG-CZ2 3.4Å; P2-W4 HydrophobicContact CG-CZ3 3.91Å; P2-W4 PolarHBondContact O-N 3.11Å
3S40.7Very low39.5Very low91 Ų91124.6 Ų124.664%0.63668%0.682SS**THydrogen-bonded Turntrans-61.910.9-170.242.40000116.8
4W42.1Very low39.3Very low197 Ų197126.1 Ų126.175%0.74669%0.688SS**THydrogen-bonded Turntrans-84.6-19.8-176-28.7-32.2000112P2 L6P2-W4 HydrophobicContact CB-CD2 4.01Å; P2-W4 VanDerWaalsContact CB-CE2 3.41Å; P2-W4 HydrophobicContact CB-CG 4.35Å; P2-W4 HydrophobicContact CB-CH2 4.41Å; P2-W4 HydrophobicContact CB-CZ2 3.64Å; P2-W4 HydrophobicContact CG-CD2 3.6Å; P2-W4 HydrophobicContact CG-CE3 3.87Å; P2-W4 HydrophobicContact CG-CG 4.27Å; P2-W4 HydrophobicContact CG-CH2 3.68Å; P2-W4 HydrophobicContact CG-CZ2 3.4Å; P2-W4 VanDerWaalsContact CG-CZ2 3.4Å; P2-W4 HydrophobicContact CG-CZ3 3.91Å; P2-W4 PolarHBondContact O-N 3.11Å; W4-L6 VanDerWaalsContact C-N 3.29Å; W4-L6 PolarHBondContact O-N 3.32Å
5A42.5Very low38.8Very low73 Ų73126.9 Ų126.960%0.60369%0.691SS**Hα-helixtrans-72.4-19.8179.500000113.5
6L44.3Very low38.1Very low130 Ų130123.8 Ų123.868%0.68169%0.687SS**Hα-helixtrans-80.3-23.6-179.2-90.8150.5000113.5W4 T10W4-L6 VanDerWaalsContact C-N 3.29Å; W4-L6 PolarHBondContact O-N 3.32Å; L6-T10 PolarHBondContact O-OG1 2.94Å
7F40.1Very low37.5Very low167 Ų167122.1 Ų122.173%0.73268%0.683SS**Hα-helixtrans-83.5-18.5178.4-89-79.6000114T10F7-T10 PolarHBondContact O-OG1 3.03Å
8M36.3Very low37.3Very low147 Ų147124.3 Ų124.372%0.72469%0.687SS**Hα-helixtrans-86.4-17.4175.8-70-63.9-74.200113.1
9V39.2Very low37.3Very low93 Ų93125.4 Ų125.456%0.56469%0.692SS**Hα-helixtrans-88.6-27177.7-179.50000111.5C12V9-C12 PolarHBondContact O-N 3.1Å
10T37.8Very low37.6Very low87 Ų87124.4 Ų124.453%0.53469%0.685SS.*Hα-helixtrans-78.5-18.1177.147.10000113.9L6 F7L6-T10 PolarHBondContact O-OG1 2.94Å; F7-T10 PolarHBondContact O-OG1 3.03Å
11S35.5Very low38.4Very low83 Ų83119.1 Ų119.158%0.5866%0.658SS**G310 helixtrans-78.8-18.4173.5-158.80000113.4
12C34Very low39.7Very low110 Ų110115.2 Ų115.274%0.74364%0.636SS**G310 helixtrans-95.26.9177.8-70.80000114V9V9-C12 PolarHBondContact O-N 3.1Å
13L33.3Very low41.2Very low131 Ų131112.1 Ų112.169%0.68662%0.616SS**G310 helixtrans-108.415.4173.8-72.8172.1000113.1L15L13-L15 PolarHBondContact O-N 3.41Å
14L36.7Very low43.2Very low146 Ų146109.9 Ų109.976%0.76460%0.601SS**  trans-72.186.1153.2-73.9166.6000106.7A16L14-A16 PolarHBondContact O-N 3.4Å
15L31.6Very low44.8Very low138 Ų138105.3 Ų105.372%0.72360%0.598SS**  trans-42.9110.2152-86.6136.3000106.3L13L13-L15 PolarHBondContact O-N 3.41Å
16A26.7Very low46.7Very low77 Ų77106.3 Ų106.364%0.63659%0.591SS**  trans-47.4136.4164.500000106.9L14 Q18L14-A16 PolarHBondContact O-N 3.4Å; A16-Q18 PolarHBondContact O-N 2.84Å
17P29Very low48.5Very low95 Ų95100.4 Ų100.462%0.61756%0.56SS**  trans-55113.4179-15.826.9000107.4N19 L20P17-N19 PolarHBondContact O-N 2.9Å; P17-L20 HydrophobicContact CG-CD1 4.31Å
18Q33.4Very low50.5Low162 Ų16293.9 Ų93.976%0.75753%0.534SS*.THydrogen-bonded Turntrans-62.4124.6170.4-67.4-170.8-11.500106.2A16A16-Q18 PolarHBondContact O-N 2.84Å
19N37.3Very low52.6Low145 Ų14591.1 Ų91.178%0.77553%0.529SS*.THydrogen-bonded Turntrans81.153-178.6-52.2-53.5000117.5P17 A21P17-N19 PolarHBondContact O-N 2.9Å; N19-A21 PolarHBondContact O-N 2.69Å
20L42.5Very low54.6Low105 Ų10588.8 Ų88.855%0.5551%0.513SS..  trans-81.994.6147.6-100.6152.7000107.8P17 Q22P17-L20 HydrophobicContact CG-CD1 4.31Å; L20-Q22 PolarHBondContact O-N 2.89Å
21A55Low56.8Low14 Ų1485.3 Ų85.312%0.11649%0.491CS..  trans-52.2110.8170.200000108.5N19 S80 Q82 V92 Q94N19-A21 PolarHBondContact O-N 2.69Å; A21-S80 PolarHBondContact O-OG 2.8Å; A21-S80 VanDerWaalsContact O-OG 3.14Å; A21-Q82 PolarHBondContact O-NE2 2.83Å; A21-V92 HydrophobicContact CB-CG1 4.04Å; A21-Q94 HydrophobicContact CB-CB 3.6Å
22Q69.4Low58.7Low158 Ų15884.5 Ų84.574%0.73849%0.489SS*.  trans-115.8126.4-174.5-164.1174.1-30.300110L20L20-Q22 PolarHBondContact O-N 2.89Å
23V78.3Confident60.3Low6 Ų684.7 Ų84.74%0.03649%0.492CS..  trans-99.8121.9177173.40000107.4D27 V28 F41 T49 F51 Q82 V92V23-D27 HydrophobicContact CG1-CB 4.09Å; V23-V28 HydrophobicContact CG1-CG2 4.05Å; V23-F41 HydrophobicContact CG1-CE1 4.47Å; V23-F41 HydrophobicContact CG2-CE1 4.3Å; V23-T49 HydrophobicContact CG2-CG2 4.06Å; V23-F51 HydrophobicContact CG1-CD1 4.05Å; V23-F51 HydrophobicContact CG1-CE1 3.97Å; V23-F51 HydrophobicContact CG1-CE2 4.48Å; V23-F51 HydrophobicContact CG1-CG 4.34Å; V23-F51 HydrophobicContact CG1-CZ 4.2Å; V23-F51 HydrophobicContact CG2-CB 4.29Å; V23-F51 HydrophobicContact CG2-CD1 4.05Å; V23-F51 HydrophobicContact CG2-CG 4.25Å; V23-Q82 PolarHBondContact O-OE1 3.48Å; V23-V92 HydrophobicContact CB-CG2 4.28Å; V23-V92 HydrophobicContact CG2-CB 4.34Å; V23-V92 HydrophobicContact CG2-CG1 3.64Å; V23-V92 HydrophobicContact CG2-CG2 3.69Å
24S81.6Confident62.3Low44 Ų4480.5 Ų80.531%0.30847%0.47SS..  trans-75.4155.4-177.977.10000111.2Q26 D27 V28S24-Q26 PolarHBondContact O-N 3.48Å; S24-Q26 PolarHBondContact OG-N 2.84Å; S24-D27 VanDerWaalsContact CB-OD2 3.3Å; S24-D27 WeakPolarHBondContact CB-OD2 3.32Å; S24-D27 PolarHBondContact N-OD2 3.15Å; S24-D27 PolarHBondContact O-N 2.9Å; S24-D27 PolarHBondContact OG-N 2.66Å; S24-D27 VanDerWaalsContact OG-N 3.15Å; S24-D27 PolarHBondContact OG-OD1 3.05Å; S24-D27 PolarHBondContact OG-OD2 2.8Å; S24-V28 WeakPolarHBondContact O-CG2 2.92Å; S24-V28 PolarHBondContact O-N 3.39Å
25S77.1Confident64.2Low100 Ų10079.1 Ų79.170%0.69947%0.472SS*.Hα-helixtrans-60.1-24.9172.753.60000112.8S29S25-S29 PolarHBondContact O-N 3.28Å; S25-S29 PolarHBondContact O-OG 2.83Å
26Q80.9Confident66.7Low94 Ų9476.2 Ų76.244%0.43946%0.455SS..Hα-helixtrans-72.4-42.8177-164.8166.413.500111.4S24 V28 S29 L30 S271S24-Q26 PolarHBondContact O-N 3.48Å; S24-Q26 PolarHBondContact OG-N 2.84Å; Q26-V28 VanDerWaalsContact C-N 3.27Å; Q26-V28 PolarHBondContact O-N 3.13Å; Q26-S29 PolarHBondContact O-N 3.04Å; Q26-S29 VanDerWaalsContact O-N 3.13Å; Q26-L30 HydrophobicContact CG-CD1 4.49Å; Q26-L30 WeakPolarHBondContact O-CG 3.37Å; Q26-L30 PolarHBondContact O-N 2.96Å; Q26-S271 VanDerWaalsContact CD-CB 3.49Å; Q26-S271 VanDerWaalsContact NE2-CB 3.32Å
27D83Confident69.5Low7 Ų776.4 Ų76.44%0.03745%0.45CS..Hα-helixtrans-58.6-41.7175.9-55.7-46.5000110.9V23 S24 S29 L30 L31 F41 R43 L132V23-D27 HydrophobicContact CG1-CB 4.09Å; S24-D27 VanDerWaalsContact CB-OD2 3.3Å; S24-D27 WeakPolarHBondContact CB-OD2 3.32Å; S24-D27 PolarHBondContact N-OD2 3.15Å; S24-D27 PolarHBondContact O-N 2.9Å; S24-D27 PolarHBondContact OG-N 2.66Å; S24-D27 VanDerWaalsContact OG-N 3.15Å; S24-D27 PolarHBondContact OG-OD1 3.05Å; S24-D27 PolarHBondContact OG-OD2 2.8Å; D27-S29 VanDerWaalsContact C-N 3.33Å; D27-S29 PolarHBondContact O-N 3.12Å; D27-L30 PolarHBondContact O-N 2.87Å; D27-L31 WeakPolarHBondContact O-CG 3.44Å; D27-L31 PolarHBondContact O-N 3.37Å; D27-F41 HydrophobicContact CB-CE1 4.46Å; D27-R43 IonicContact OD1-NH2 2.71Å; D27-R43 PolarHBondContact OD1-NH2 3.34Å; D27-R43 IonicContact OD2-NH2 3.93Å; D27-L132 HydrophobicContact CB-CD2 4.29Å
28V81Confident72.5Confident30 Ų3071.9 Ų71.918%0.18242%0.421CS..Hα-helixtrans-62.3-41.7176.9-176.90000112V23 S24 Q26 L30 L31 A32 F51 R90V23-V28 HydrophobicContact CG1-CG2 4.05Å; S24-V28 WeakPolarHBondContact O-CG2 2.92Å; S24-V28 PolarHBondContact O-N 3.39Å; Q26-V28 VanDerWaalsContact C-N 3.27Å; Q26-V28 PolarHBondContact O-N 3.13Å; V28-L30 VanDerWaalsContact C-N 3.34Å; V28-L31 CarbonylContact O-C 3.54Å; V28-L31 PolarHBondContact O-N 3.11Å; V28-A32 PolarHBondContact O-N 3.45Å; V28-F51 HydrophobicContact CG2-CE2 4.15Å; V28-F51 HydrophobicContact CG2-CZ 4.22Å; V28-R90 VanDerWaalsContact CG2-NH2 3.33Å
29S80.8Confident75.3Confident88 Ų8866 Ų6662%0.61539%0.392SS*.Hα-helixtrans-68.6-37-178.4-57.60000111.2S25 Q26 D27 A32S25-S29 PolarHBondContact O-N 3.28Å; S25-S29 PolarHBondContact O-OG 2.83Å; Q26-S29 PolarHBondContact O-N 3.04Å; Q26-S29 VanDerWaalsContact O-N 3.13Å; D27-S29 VanDerWaalsContact C-N 3.33Å; D27-S29 PolarHBondContact O-N 3.12Å; S29-A32 VanDerWaalsContact O-CB 3.25Å; S29-A32 WeakPolarHBondContact O-CB 3.31Å; S29-A32 PolarHBondContact O-N 3.25Å
30L82.2Confident78Confident45 Ų4559.1 Ų59.124%0.23636%0.356CS..Hα-helixtrans-68.3-36.9176-67.7170.1000111.7Q26 D27 V28 A32 L132Q26-L30 HydrophobicContact CG-CD1 4.49Å; Q26-L30 WeakPolarHBondContact O-CG 3.37Å; Q26-L30 PolarHBondContact O-N 2.96Å; D27-L30 PolarHBondContact O-N 2.87Å; V28-L30 VanDerWaalsContact C-N 3.34Å; L30-A32 VanDerWaalsContact C-N 3.31Å; L30-L132 HydrophobicContact CB-CD1 4.14Å; L30-L132 HydrophobicContact CD1-CD1 4.1Å
31L83.8Confident80.4Confident13 Ų1354.4 Ų54.47%0.06833%0.331CS..G310 helixtrans-90.111.8176.9-59.8170.9000113.1D27 V28 S33 D34 K39 F41 F51 L132D27-L31 WeakPolarHBondContact O-CG 3.44Å; D27-L31 PolarHBondContact O-N 3.37Å; V28-L31 CarbonylContact O-C 3.54Å; V28-L31 PolarHBondContact O-N 3.11Å; L31-S33 VanDerWaalsContact C-N 3.25Å; L31-S33 PolarHBondContact O-N 2.65Å; L31-D34 PolarHBondContact O-N 2.89Å; L31-K39 HydrophobicContact CB-CD 4.28Å; L31-K39 PolarHBondContact O-NZ 2.87Å; L31-F41 HydrophobicContact CD1-CB 4.05Å; L31-F41 HydrophobicContact CD1-CD1 3.66Å; L31-F41 HydrophobicContact CD1-CG 4.18Å; L31-F51 HydrophobicContact CD1-CE1 3.87Å; L31-F51 HydrophobicContact CD1-CZ 4.23Å; L31-L132 HydrophobicContact CD1-CD2 4.32Å; L31-L132 HydrophobicContact CG-CD2 4.38Å
32A74.6Confident82.1Confident66 Ų6653.7 Ų53.755%0.54533%0.325SS..G310 helixtrans-68.8-25.4-176.900000112.8V28 S29 L30 D34V28-A32 PolarHBondContact O-N 3.45Å; S29-A32 VanDerWaalsContact O-CB 3.25Å; S29-A32 WeakPolarHBondContact O-CB 3.31Å; S29-A32 PolarHBondContact O-N 3.25Å; L30-A32 VanDerWaalsContact C-N 3.31Å; A32-D34 VanDerWaalsContact C-N 3.34Å
33S68.8Low83.1Confident114 Ų11450.9 Ų50.980%0.79731%0.308SS*.G310 helixtrans-76.7-17.3175.651.40000113.9L31 S35L31-S33 VanDerWaalsContact C-N 3.25Å; L31-S33 PolarHBondContact O-N 2.65Å; S33-S35 PolarHBondContact O-N 2.83Å
34D73.8Confident83.5Confident44 Ų4452.5 Ų52.524%0.23532%0.318CS..  trans-71.6120175.3-169.81.6000109.3L31 A32 E36 R123L31-D34 PolarHBondContact O-N 2.89Å; A32-D34 VanDerWaalsContact C-N 3.34Å; D34-E36 PolarHBondContact O-N 2.86Å; D34-E36 WeakPolarHBondContact OD1-CB 3.27Å; D34-E36 VanDerWaalsContact OD1-CG 3.28Å; D34-E36 WeakPolarHBondContact OD1-CG 3.43Å; D34-E36 PolarHBondContact OD1-N 2.81Å; D34-E36 VanDerWaalsContact OD1-N 3.11Å; D34-R123 IonicContact OD2-CZ 3.66Å; D34-R123 IonicContact OD2-NH1 3.68Å; D34-R123 PolarHBondContact OD2-NH1 3.09Å; D34-R123 IonicContact OD2-NH2 3.23Å; D34-R123 PolarHBondContact OD2-NH2 3.3Å
35S76.8Confident83.9Confident116 Ų11650.6 Ų50.681%0.81130%0.304SS*.  trans-78-6.2179.654.70000113.4S33S33-S35 PolarHBondContact O-N 2.83Å
36E85.3Confident84.5Confident77 Ų7749.9 Ų49.936%0.3629%0.29SS..  trans-73.7136.8-177.8-68.6-74158.600112.2D34 R123D34-E36 PolarHBondContact O-N 2.86Å; D34-E36 WeakPolarHBondContact OD1-CB 3.27Å; D34-E36 VanDerWaalsContact OD1-CG 3.28Å; D34-E36 WeakPolarHBondContact OD1-CG 3.43Å; D34-E36 PolarHBondContact OD1-N 2.81Å; D34-E36 VanDerWaalsContact OD1-N 3.11Å; E36-R123 VanDerWaalsContact CB-CZ 3.48Å; E36-R123 VanDerWaalsContact CG-CZ 3.5Å; E36-R123 IonicContact OE2-NE 2.65Å
37P85.1Confident84.9Confident81 Ų8147 Ų4753%0.52628%0.277SS..SBendtrans-71.3-35.5-175.527.1-34.4000113.2I121P37-I121 HydrophobicContact CB-CD1 4.23Å; P37-I121 HydrophobicContact CG-CG2 3.84Å
38L91.6Very high85.4Confident0 Ų046.6 Ų46.60%028%0.275CS..SBendtrans-99.5105.2172.717569.1000108.3C50 W52 L65 L109 V111 I121 R123L38-C50 HydrophobicContact CD1-CB 4.23Å; L38-W52 HydrophobicContact CD1-CB 4.37Å; L38-W52 HydrophobicContact CD1-CD2 4.3Å; L38-W52 HydrophobicContact CD1-CE3 3.51Å; L38-W52 HydrophobicContact CD1-CZ3 4.19Å; L38-L65 HydrophobicContact CD1-CD1 4.31Å; L38-L65 HydrophobicContact CD2-CD1 3.82Å; L38-L109 HydrophobicContact CD2-CB 3.88Å; L38-L109 HydrophobicContact CD2-CD1 4.04Å; L38-V111 HydrophobicContact CD1-CG2 4.12Å; L38-V111 HydrophobicContact CD2-CG2 4.33Å; L38-I121 HydrophobicContact CB-CG2 3.88Å; L38-R123 WeakPolarHBondContact O-CD 3.24Å; L38-R123 PolarHBondContact O-NH1 3.37Å
39K92.8Very high86Confident38 Ų3845.8 Ų45.817%0.16527%0.27CS..EExtended strand (participates in β ladder)trans-85.5136.4-177.9-62.2-172.1178.9-161.20110.4L31 C50 F51L31-K39 HydrophobicContact CB-CD 4.28Å; L31-K39 PolarHBondContact O-NZ 2.87Å; K39-C50 CarbonylContact O-C 3.54Å; K39-C50 WeakPolarHBondContact O-CA 3.48Å; K39-F51 HydrophobicContact CB-CD1 4.14Å; K39-F51 HydrophobicContact CB-CE1 3.7Å; K39-F51 HydrophobicContact CB-CE2 4.12Å; K39-F51 HydrophobicContact CB-CZ 3.7Å; K39-F51 HydrophobicContact CD-CE2 4.06Å; K39-F51 HydrophobicContact CD-CZ 3.85Å; K39-F51 HydrophobicContact CG-CZ 4.34Å; K39-F51 PolarHBondContact N-O 3.13Å; K39-F51 PolarHBondContact O-N 2.87Å
40C92.9Very high86.6Confident2 Ų241.6 Ų41.61%0.01424%0.241CC..EExtended strand (participates in β ladder)trans-136146.5178.5-61.30000110.6L48 T49 C50 L125C40-L48 HydrophobicContact CB-CD1 4.14Å; C40-T49 CarbonylContact C-O 3.58Å; C40-T49 VanDerWaalsContact CA-O 3.25Å; C40-T49 WeakPolarHBondContact CA-O 3.31Å; C40-C50 HydrophobicContact CB-CB 4.15Å; C40-C50 WeakPolarHBondContact CB-SG 3.35Å; C40-C50 WeakPolarHBondContact SG-CB 3.24Å; C40-C50 CovalentContact SG-SG 2.05Å; C40-C50 PolarHBondContact SG-SG 2.89Å; C40-L125 HydrophobicContact CB-CD1 4.31Å; C40-L125 HydrophobicContact CB-CD2 3.68Å
41F93.3Very high87.1Confident5 Ų539.5 Ų39.52%0.02223%0.23CC..EExtended strand (participates in β ladder)trans-148.3158.5174.167.7-89.4000111.9V23 D27 L31 R43 T49 F51 V130 L132V23-F41 HydrophobicContact CG1-CE1 4.47Å; V23-F41 HydrophobicContact CG2-CE1 4.3Å; D27-F41 HydrophobicContact CB-CE1 4.46Å; L31-F41 HydrophobicContact CD1-CB 4.05Å; L31-F41 HydrophobicContact CD1-CD1 3.66Å; L31-F41 HydrophobicContact CD1-CG 4.18Å; F41-R43 HydrophobicContact CD2-CG 4.31Å; F41-R43 HydrophobicContact CE2-CG 4.16Å; F41-T49 HydrophobicContact CE1-CG2 4.05Å; F41-T49 HydrophobicContact CZ-CG2 3.99Å; F41-T49 PolarHBondContact N-O 2.76Å; F41-T49 PolarHBondContact O-N 3.23Å; F41-F51 HydrophobicContact CD1-CD1 4.47Å; F41-F51 HydrophobicContact CD1-CE1 4.14Å; F41-F51 HydrophobicContact CE1-CD1 4.21Å; F41-F51 HydrophobicContact CE1-CE1 4.07Å; F41-V130 CarbonylContact C-O 3.49Å; F41-V130 VanDerWaalsContact CA-O 3.31Å; F41-V130 WeakPolarHBondContact CA-O 3.39Å; F41-L132 HydrophobicContact CB-CB 3.77Å; F41-L132 HydrophobicContact CB-CD2 4.1Å; F41-L132 HydrophobicContact CD1-CD2 4.45Å; F41-L132 HydrophobicContact CD2-CB 4.13Å; F41-L132 HydrophobicContact CD2-CD2 3.94Å; F41-L132 HydrophobicContact CG-CB 4.24Å; F41-L132 HydrophobicContact CG-CD2 3.91Å
42S91.9Very high87.5Confident0 Ų039.1 Ų39.10%023%0.228CC..BIsolated β-bridgetrans-128.1135.1176.4-177.50000110.3F45 D47 V130 G131 L132S42-F45 WeakPolarHBondContact OG-CA 3.32Å; S42-F45 PolarHBondContact OG-N 2.67Å; S42-D47 WeakPolarHBondContact CB-O 3.34Å; S42-D47 PolarHBondContact OG-O 2.81Å; S42-D47 PolarHBondContact OG-OD1 2.96Å; S42-V130 PolarHBondContact N-O 3.39Å; S42-G131 CarbonylContact O-C 3.58Å; S42-L132 CarbonylContact O-C 3.45Å; S42-L132 PolarHBondContact O-N 2.67Å
43R89.1Confident88.2Confident99 Ų9939.1 Ų39.137%0.37422%0.219SC..SBendtrans-93.2-32.6178.6-66.9-170.8169.9-169.5-0.7112.5D27 F41 D47D27-R43 IonicContact OD1-NH2 2.71Å; D27-R43 PolarHBondContact OD1-NH2 3.34Å; D27-R43 IonicContact OD2-NH2 3.93Å; F41-R43 HydrophobicContact CD2-CG 4.31Å; F41-R43 HydrophobicContact CE2-CG 4.16Å; R43-D47 PolarHBondContact N-OD1 2.79Å; R43-D47 PolarHBondContact N-OD2 2.93Å
44T88.2Confident89Confident40 Ų4036.3 Ų36.325%0.24519%0.193CC..SBendtrans-120.7-2-175.966.20000113.4E46 D47 A158T44-E46 PolarHBondContact O-N 3.5Å; T44-E46 VanDerWaalsContact O-N 3.16Å; T44-E46 PolarHBondContact OG1-N 3.31Å; T44-D47 PolarHBondContact N-OD1 2.94Å; T44-D47 PolarHBondContact OG1-OD1 3.29Å; T44-A158 HydrophobicContact CG2-CB 4.17Å
45F89.3Confident89.4Confident4 Ų442.8 Ų42.82%0.01822%0.222CC..SBendtrans63.95.1-169.3-62.8-88000114.5S42 L103 I161 P260 L265S42-F45 WeakPolarHBondContact OG-CA 3.32Å; S42-F45 PolarHBondContact OG-N 2.67Å; F45-L103 HydrophobicContact CB-CD1 4.21Å; F45-L103 HydrophobicContact CB-CD2 3.97Å; F45-L103 HydrophobicContact CD1-CD2 4.24Å; F45-L103 WeakPolarHBondContact O-CD2 3.41Å; F45-I161 HydrophobicContact CD2-CD1 3.48Å; F45-I161 VanDerWaalsContact CD2-CD1 3.48Å; F45-I161 HydrophobicContact CD2-CG2 4.49Å; F45-I161 HydrophobicContact CE2-CD1 3.83Å; F45-P260 HydrophobicContact CE2-CG 4.2Å; F45-P260 HydrophobicContact CZ-CB 4.17Å; F45-P260 HydrophobicContact CZ-CG 3.74Å; F45-L265 HydrophobicContact CD1-CD1 4.5Å; F45-L265 HydrophobicContact CD1-CD2 3.88Å; F45-L265 HydrophobicContact CD2-CD1 3.73Å; F45-L265 HydrophobicContact CE1-CB 3.99Å; F45-L265 HydrophobicContact CE1-CD1 4.46Å; F45-L265 HydrophobicContact CE1-CD2 3.98Å; F45-L265 HydrophobicContact CE1-CG 4.36Å; F45-L265 HydrophobicContact CE2-CB 4.14Å; F45-L265 HydrophobicContact CE2-CD1 3.69Å; F45-L265 HydrophobicContact CE2-CG 4.37Å; F45-L265 HydrophobicContact CG-CD1 4.12Å; F45-L265 HydrophobicContact CG-CD2 4.14Å; F45-L265 HydrophobicContact CZ-CB 3.66Å; F45-L265 HydrophobicContact CZ-CD1 4.05Å; F45-L265 HydrophobicContact CZ-CD2 4.34Å; F45-L265 HydrophobicContact CZ-CG 4.22Å
46E89.2Confident89.6Confident84 Ų8445.2 Ų45.239%0.39322%0.22SC..SBendtrans-112.8-5.7169.8-58.4-176.5159.200111.5T44 Q98 V101T44-E46 PolarHBondContact O-N 3.5Å; T44-E46 VanDerWaalsContact O-N 3.16Å; T44-E46 PolarHBondContact OG1-N 3.31Å; E46-Q98 HydrophobicContact CB-CB 4.35Å; E46-Q98 HydrophobicContact CB-CG 4.29Å; E46-Q98 WeakPolarHBondContact O-CA 3.47Å; E46-V101 WeakPolarHBondContact O-CG2 3.27Å
47D90.4Very high89Confident33 Ų3345.1 Ų45.118%0.17623%0.233CC..  trans-116.7155.1175.671.1-32.1000111S42 R43 T44S42-D47 WeakPolarHBondContact CB-O 3.34Å; S42-D47 PolarHBondContact OG-O 2.81Å; S42-D47 PolarHBondContact OG-OD1 2.96Å; R43-D47 PolarHBondContact N-OD1 2.79Å; R43-D47 PolarHBondContact N-OD2 2.93Å; T44-D47 PolarHBondContact N-OD1 2.94Å; T44-D47 PolarHBondContact OG1-OD1 3.29Å
48L92.4Very high88.6Confident0 Ų042.5 Ų42.50%022%0.218CC..  trans-142.3125.4171.4-174.966.5000109.7C40 F95 V101 L107 L125 V127 V130C40-L48 HydrophobicContact CB-CD1 4.14Å; L48-F95 HydrophobicContact CB-CB 4.38Å; L48-F95 HydrophobicContact CB-CD1 4.03Å; L48-F95 HydrophobicContact CB-CD2 4.38Å; L48-F95 HydrophobicContact CB-CE1 4.48Å; L48-F95 HydrophobicContact CB-CG 4Å; L48-F95 HydrophobicContact CD2-CD1 4.17Å; L48-F95 HydrophobicContact CD2-CD2 4.43Å; L48-F95 HydrophobicContact CD2-CE1 3.78Å; L48-F95 HydrophobicContact CD2-CE2 4.04Å; L48-F95 HydrophobicContact CD2-CZ 3.72Å; L48-F95 HydrophobicContact CG-CD1 4.26Å; L48-F95 HydrophobicContact CG-CE1 4.27Å; L48-F95 WeakPolarHBondContact O-CD1 3.05Å; L48-F95 PolarHBondContact O-N 2.87Å; L48-V101 HydrophobicContact CB-CG2 4.28Å; L48-L107 HydrophobicContact CD2-CD2 3.41Å; L48-L107 VanDerWaalsContact CD2-CD2 3.41Å; L48-L125 HydrophobicContact CD1-CD2 3.84Å; L48-L125 HydrophobicContact CD2-CD2 3.97Å; L48-V127 HydrophobicContact CD1-CG1 4.39Å; L48-V127 HydrophobicContact CD1-CG2 4.34Å; L48-V127 HydrophobicContact CD2-CG2 4.07Å; L48-V130 HydrophobicContact CD1-CG2 4.2Å
49T93.4Very high88Confident12 Ų1246.8 Ų46.87%0.07425%0.245CC..EExtended strand (participates in β ladder)trans-119.8125.7173.5-57.20000109V23 C40 F41 V92 C93V23-T49 HydrophobicContact CG2-CG2 4.06Å; C40-T49 CarbonylContact C-O 3.58Å; C40-T49 VanDerWaalsContact CA-O 3.25Å; C40-T49 WeakPolarHBondContact CA-O 3.31Å; F41-T49 HydrophobicContact CE1-CG2 4.05Å; F41-T49 HydrophobicContact CZ-CG2 3.99Å; F41-T49 PolarHBondContact N-O 2.76Å; F41-T49 PolarHBondContact O-N 3.23Å; T49-V92 HydrophobicContact CG2-CG1 3.79Å; T49-C93 CarbonylContact C-O 3.6Å; T49-C93 VanDerWaalsContact CA-O 3.32Å; T49-C93 WeakPolarHBondContact CA-O 3.24Å
50C93.6Very high87.2Confident0 Ų050.9 Ų50.90%028%0.279CS..EExtended strand (participates in β ladder)trans-120.7143.2177.2-680000110.6L38 K39 C40 L65 V92 C93L38-C50 HydrophobicContact CD1-CB 4.23Å; K39-C50 CarbonylContact O-C 3.54Å; K39-C50 WeakPolarHBondContact O-CA 3.48Å; C40-C50 HydrophobicContact CB-CB 4.15Å; C40-C50 WeakPolarHBondContact CB-SG 3.35Å; C40-C50 WeakPolarHBondContact SG-CB 3.24Å; C40-C50 CovalentContact SG-SG 2.05Å; C40-C50 PolarHBondContact SG-SG 2.89Å; C50-L65 HydrophobicContact CB-CD2 4.18Å; C50-V92 WeakPolarHBondContact O-CA 3.28Å; C50-C93 PolarHBondContact N-O 3.03Å; C50-C93 PolarHBondContact O-N 2.94Å
51F92.8Very high86.6Confident1 Ų153.3 Ų53.30%0.00430%0.304CS..EExtended strand (participates in β ladder)trans-149.7157.3178.972-85000113.1V23 V28 L31 K39 F41 R90 Y91 V92V23-F51 HydrophobicContact CG1-CD1 4.05Å; V23-F51 HydrophobicContact CG1-CE1 3.97Å; V23-F51 HydrophobicContact CG1-CE2 4.48Å; V23-F51 HydrophobicContact CG1-CG 4.34Å; V23-F51 HydrophobicContact CG1-CZ 4.2Å; V23-F51 HydrophobicContact CG2-CB 4.29Å; V23-F51 HydrophobicContact CG2-CD1 4.05Å; V23-F51 HydrophobicContact CG2-CG 4.25Å; V28-F51 HydrophobicContact CG2-CE2 4.15Å; V28-F51 HydrophobicContact CG2-CZ 4.22Å; L31-F51 HydrophobicContact CD1-CE1 3.87Å; L31-F51 HydrophobicContact CD1-CZ 4.23Å; K39-F51 HydrophobicContact CB-CD1 4.14Å; K39-F51 HydrophobicContact CB-CE1 3.7Å; K39-F51 HydrophobicContact CB-CE2 4.12Å; K39-F51 HydrophobicContact CB-CZ 3.7Å; K39-F51 HydrophobicContact CD-CE2 4.06Å; K39-F51 HydrophobicContact CD-CZ 3.85Å; K39-F51 HydrophobicContact CG-CZ 4.34Å; K39-F51 PolarHBondContact N-O 3.13Å; K39-F51 PolarHBondContact O-N 2.87Å; F41-F51 HydrophobicContact CD1-CD1 4.47Å; F41-F51 HydrophobicContact CD1-CE1 4.14Å; F41-F51 HydrophobicContact CE1-CD1 4.21Å; F41-F51 HydrophobicContact CE1-CE1 4.07Å; F51-R90 HydrophobicContact CB-CG 4.17Å; F51-R90 HydrophobicContact CD2-CG 4.15Å; F51-Y91 WeakPolarHBondContact CA-O 3.41Å; F51-Y91 VanDerWaalsContact CB-O 3.27Å; F51-Y91 WeakPolarHBondContact CB-O 3.37Å; F51-V92 HydrophobicContact CB-CB 4.46Å; F51-V92 HydrophobicContact CB-CG2 3.87Å
52W91.6Very high86.2Confident6 Ų653.5 Ų53.52%0.02331%0.306CS..EExtended strand (participates in β ladder)trans-147.6158.8170.170.799.9000109.6L38 Y63 L65 L79 R90 Y91 V111L38-W52 HydrophobicContact CD1-CB 4.37Å; L38-W52 HydrophobicContact CD1-CD2 4.3Å; L38-W52 HydrophobicContact CD1-CE3 3.51Å; L38-W52 HydrophobicContact CD1-CZ3 4.19Å; W52-Y63 HydrophobicContact CZ2-CD2 4.44Å; W52-Y63 HydrophobicContact CZ2-CG 4.17Å; W52-L65 HydrophobicContact CH2-CB 4.45Å; W52-L65 HydrophobicContact CZ3-CB 4.38Å; W52-L79 HydrophobicContact CH2-CD1 3.99Å; W52-L79 HydrophobicContact CH2-CD2 3.48Å; W52-L79 VanDerWaalsContact CH2-CD2 3.48Å; W52-L79 HydrophobicContact CH2-CG 4.41Å; W52-L79 HydrophobicContact CZ3-CD2 3.7Å; W52-R90 WeakPolarHBondContact O-CA 3.25Å; W52-Y91 AromaticContact CE2-CD2 3.88Å; W52-Y91 AromaticContact CE2-CG 3.99Å; W52-Y91 HydrophobicContact CH2-CG 4.31Å; W52-Y91 HydrophobicContact CZ2-CD2 4.01Å; W52-Y91 AromaticContact CZ2-CG 3.74Å; W52-Y91 HydrophobicContact CZ2-CG 3.74Å; W52-Y91 PolarHBondContact N-O 3.4Å; W52-Y91 VanDerWaalsContact N-O 3.13Å; W52-Y91 AromaticContact NE1-CD2 3.71Å; W52-Y91 PolarHBondContact O-N 3.25Å; W52-V111 HydrophobicContact CD2-CG2 4.34Å; W52-V111 HydrophobicContact CE3-CG2 4.18Å; W52-V111 HydrophobicContact CH2-CG1 4.13Å; W52-V111 HydrophobicContact CH2-CG2 4.32Å; W52-V111 HydrophobicContact CZ2-CG1 3.7Å; W52-V111 HydrophobicContact CZ2-CG2 4.48Å; W52-V111 HydrophobicContact CZ3-CG2 4.17Å
53D89.1Confident86.2Confident66 Ų6655 Ų5535%0.35331%0.312SS..EExtended strand (participates in β ladder)trans-111.8137.4-176.4-65-19000109.9R90D53-R90 WeakPolarHBondContact OD1-CB 3.33Å; D53-R90 VanDerWaalsContact OD1-CG 3.23Å; D53-R90 WeakPolarHBondContact OD1-CG 3.44Å; D53-R90 IonicContact OD1-CZ 3.5Å; D53-R90 IonicContact OD1-NE 3.57Å; D53-R90 PolarHBondContact OD1-NE 2.05Å; D53-R90 IonicContact OD1-NH2 2.76Å; D53-R90 PolarHBondContact OD1-NH2 3.12Å; D53-R90 IonicContact OD2-CZ 2.67Å; D53-R90 IonicContact OD2-NE 3.23Å; D53-R90 IonicContact OD2-NH2 3.89Å; D53-R90 PolarHBondContact OD2-NH2 3.35Å
54E87.5Confident86.3Confident55 Ų5553.8 Ų53.826%0.25731%0.311SS..EExtended strand (participates in β ladder)trans-122.7138.1174.7-75.7-69.3171.900109.7E56 Y63 G88 T89 Y91E54-E56 VanDerWaalsContact C-N 3.32Å; E54-E56 PolarHBondContact O-N 3.01Å; E54-Y63 HydrophobicContact CG-CE2 4.13Å; E54-G88 CarbonylContact O-C 3.51Å; E54-G88 WeakPolarHBondContact O-CA 3.24Å; E54-T89 PolarHBondContact N-O 2.88Å; E54-T89 PolarHBondContact O-N 3.26Å; E54-Y91 HydrophobicContact CB-CE2 4.1Å; E54-Y91 HydrophobicContact CG-CD2 4.23Å; E54-Y91 HydrophobicContact CG-CE2 3.97Å
55E82.2Confident86.6Confident180 Ų18051.9 Ų51.984%0.84130%0.299SS*.SBendtrans-64-37.8-177.8-67.9-176.1173.200112.1G88E55-G88 VanDerWaalsContact O-CA 3.24Å; E55-G88 WeakPolarHBondContact O-CA 3.5Å
56E79Confident86.7Confident166 Ų16653.2 Ų53.278%0.77631%0.306SS*.SBendtrans-111.9141.6179.4-65.3-169.1168.500111.7E54 A58E54-E56 VanDerWaalsContact C-N 3.32Å; E54-E56 PolarHBondContact O-N 3.01Å; E56-A58 PolarHBondContact O-N 3.37Å; E56-A58 VanDerWaalsContact O-N 3.13Å
57A73.9Confident86.9Confident76 Ų7649.6 Ų49.663%0.62829%0.289SS*.  trans-69.9108.5175.600000110.2T89A57-T89 WeakPolarHBondContact CA-OG1 3.08Å; A57-T89 VanDerWaalsContact CB-OG1 3.24Å; A57-T89 WeakPolarHBondContact CB-OG1 3.06Å
58A77.1Confident87.1Confident26 Ų2648.2 Ų48.222%0.21528%0.282CS..PPolyproline II helixtrans-74.9150173.400000111E56 T62 Y63 Y91E56-A58 PolarHBondContact O-N 3.37Å; E56-A58 VanDerWaalsContact O-N 3.13Å; A58-T62 HydrophobicContact CB-CG2 3.87Å; A58-Y63 HydrophobicContact CB-CD2 4.16Å; A58-Y63 HydrophobicContact CB-CE2 3.65Å; A58-Y91 WeakPolarHBondContact CA-OH 3.37Å; A58-Y91 VanDerWaalsContact CB-OH 3.27Å; A58-Y91 WeakPolarHBondContact CB-OH 3.25Å; A58-Y91 PolarHBondContact N-OH 3.27Å; A58-Y91 PolarHBondContact O-OH 2.9Å
59P79Confident87.2Confident89 Ų8948.7 Ų48.758%0.57828%0.284SS*.PPolyproline II helixtrans-50.5148.4173.4-24.430.6000112.2G61 T62P59-G61 PolarHBondContact O-N 3.39Å; P59-T62 VanDerWaalsContact CD-OG1 3.31Å; P59-T62 WeakPolarHBondContact CD-OG1 3.44Å; P59-T62 VanDerWaalsContact O-CB 3.31Å; P59-T62 WeakPolarHBondContact O-CB 3.24Å; P59-T62 PolarHBondContact O-N 3.05Å; P59-T62 PolarHBondContact O-OG1 2.76Å
60S76.1Confident87.1Confident124 Ų12451.9 Ų51.987%0.86731%0.305SS*.THydrogen-bonded Turntrans-56.6131.9176.354.20000110.7
61G79.3Confident86.9Confident53 Ų5356.3 Ų56.355%0.54635%0.35SS..THydrogen-bonded Turntrans82.84-177.100000115.7P59 Y63P59-G61 PolarHBondContact O-N 3.39Å; G61-Y63 VanDerWaalsContact C-N 3.32Å; G61-Y63 PolarHBondContact O-N 2.81Å
62T85.8Confident86.9Confident10 Ų1059 Ų596%0.06136%0.363CS..SBendtrans-61.3-42.5173.5-58.60000112.3A58 P59 N113 V114 F115A58-T62 HydrophobicContact CB-CG2 3.87Å; P59-T62 VanDerWaalsContact CD-OG1 3.31Å; P59-T62 WeakPolarHBondContact CD-OG1 3.44Å; P59-T62 VanDerWaalsContact O-CB 3.31Å; P59-T62 WeakPolarHBondContact O-CB 3.24Å; P59-T62 PolarHBondContact O-N 3.05Å; P59-T62 PolarHBondContact O-OG1 2.76Å; T62-N113 CarbonylContact O-C 3.45Å; T62-N113 WeakPolarHBondContact O-CA 3.32Å; T62-V114 PolarHBondContact O-N 2.79Å; T62-F115 VanDerWaalsContact CA-CE2 3.48Å; T62-F115 HydrophobicContact CG2-CD2 4.02Å; T62-F115 HydrophobicContact CG2-CE2 4.37Å; T62-F115 WeakPolarHBondContact OG1-CE2 2.99Å
63Y90.4Very high86.9Confident32 Ų3267.4 Ų67.413%0.12540%0.399CS..EExtended strand (participates in β ladder)trans-109144.5-177.6-62.4-59.3000111.3W52 E54 A58 G61 L79 Y91 V111 K112 N113W52-Y63 HydrophobicContact CZ2-CD2 4.44Å; W52-Y63 HydrophobicContact CZ2-CG 4.17Å; E54-Y63 HydrophobicContact CG-CE2 4.13Å; A58-Y63 HydrophobicContact CB-CD2 4.16Å; A58-Y63 HydrophobicContact CB-CE2 3.65Å; G61-Y63 VanDerWaalsContact C-N 3.32Å; G61-Y63 PolarHBondContact O-N 2.81Å; Y63-L79 VanDerWaalsContact O-CD1 3.24Å; Y63-L79 WeakPolarHBondContact O-CD1 3.23Å; Y63-Y91 HydrophobicContact CD2-CD2 4.17Å; Y63-Y91 HydrophobicContact CD2-CE1 4.28Å; Y63-Y91 AromaticContact CD2-CE2 3.74Å; Y63-Y91 HydrophobicContact CD2-CE2 3.74Å; Y63-Y91 AromaticContact CD2-CZ 3.81Å; Y63-Y91 AromaticContact CE2-CE2 3.93Å; Y63-Y91 HydrophobicContact CE2-CE2 3.93Å; Y63-V111 HydrophobicContact CD1-CG1 4.28Å; Y63-K112 WeakPolarHBondContact CA-O 3.31Å; Y63-N113 HydrophobicContact CD1-CB 4.35Å; Y63-N113 HydrophobicContact CE1-CB 4.2Å
64Q92Very high87Confident73 Ų7368.1 Ų68.134%0.34141%0.408SS..EExtended strand (participates in β ladder)trans-134.8126171-170.8172.641.800108.9L66 A76 K112 V114Q64-L66 HydrophobicContact CG-CD2 3.95Å; Q64-L66 HydrophobicContact CG-CG 4.46Å; Q64-A76 HydrophobicContact CG-CB 4.09Å; Q64-A76 VanDerWaalsContact NE2-CB 3.27Å; Q64-K112 PolarHBondContact N-O 2.93Å; Q64-K112 PolarHBondContact O-N 3.26Å; Q64-V114 HydrophobicContact CB-CG2 3.69Å
65L93.5Very high87.2Confident0 Ų069.6 Ų69.60%041%0.411CS..EExtended strand (participates in β ladder)trans-90.3121.5171.4-175.575.2000108.3L38 C50 W52 C77 L79 C93 W110 V111L38-L65 HydrophobicContact CD1-CD1 4.31Å; L38-L65 HydrophobicContact CD2-CD1 3.82Å; C50-L65 HydrophobicContact CB-CD2 4.18Å; W52-L65 HydrophobicContact CH2-CB 4.45Å; W52-L65 HydrophobicContact CZ3-CB 4.38Å; L65-C77 HydrophobicContact CB-CB 4.41Å; L65-C77 HydrophobicContact CD2-CB 4.27Å; L65-C77 PolarHBondContact O-N 3.35Å; L65-L79 HydrophobicContact CB-CD1 4.41Å; L65-L79 HydrophobicContact CB-CD2 4.11Å; L65-L79 HydrophobicContact CB-CG 4.42Å; L65-C93 HydrophobicContact CD2-CB 3.48Å; L65-C93 VanDerWaalsContact CD2-CB 3.48Å; L65-C93 WeakPolarHBondContact CD2-SG 3.22Å; L65-W110 CarbonylContact C-O 3.53Å; L65-W110 WeakPolarHBondContact CA-O 3.4Å; L65-V111 HydrophobicContact CD1-CG2 3.56Å
66L93.4Very high87.7Confident31 Ų3163.3 Ų63.316%0.16239%0.39CS..EExtended strand (participates in β ladder)trans-107.5145176.5-58.3174.6000109.9Q64 P74 R75 A76 L109 W110 K112Q64-L66 HydrophobicContact CG-CD2 3.95Å; Q64-L66 HydrophobicContact CG-CG 4.46Å; L66-P74 HydrophobicContact CB-CB 4.46Å; L66-R75 CarbonylContact C-O 3.54Å; L66-R75 WeakPolarHBondContact CA-O 3.45Å; L66-A76 HydrophobicContact CD2-CB 3.91Å; L66-L109 WeakPolarHBondContact O-CA 3.16Å; L66-W110 HydrophobicContact CB-CB 4.4Å; L66-W110 HydrophobicContact CB-CE3 4.18Å; L66-W110 PolarHBondContact N-O 3.37Å; L66-W110 PolarHBondContact O-N 2.99Å; L66-K112 HydrophobicContact CD1-CD 4.2Å
67Y93.4Very high88.3Confident9 Ų955.8 Ų55.84%0.03536%0.355CS..EExtended strand (participates in β ladder)trans-138.9147.1177.366.5-82.2000112.3P74 R75 C77 F95 E100 L107 H108Y67-P74 WeakPolarHBondContact O-CA 3.27Å; Y67-R75 HydrophobicContact CD1-CB 4.35Å; Y67-R75 WeakPolarHBondContact CD1-O 3.43Å; Y67-R75 HydrophobicContact CE1-CB 3.85Å; Y67-R75 HydrophobicContact CE2-CB 4.14Å; Y67-R75 PolarHBondContact N-O 3.2Å; Y67-R75 PolarHBondContact O-N 3.35Å; Y67-C77 HydrophobicContact CD1-CB 4.07Å; Y67-C77 HydrophobicContact CE1-CB 4Å; Y67-F95 HydrophobicContact CD1-CE2 4.4Å; Y67-F95 HydrophobicContact CD1-CZ 4.02Å; Y67-F95 HydrophobicContact CD2-CD2 4.42Å; Y67-F95 AromaticContact CD2-CE2 3.5Å; Y67-F95 HydrophobicContact CD2-CE2 3.5Å; Y67-F95 VanDerWaalsContact CD2-CE2 3.5Å; Y67-F95 AromaticContact CD2-CZ 3.78Å; Y67-F95 HydrophobicContact CD2-CZ 3.78Å; Y67-F95 HydrophobicContact CE2-CD2 4.23Å; Y67-F95 AromaticContact CE2-CE2 3.74Å; Y67-F95 HydrophobicContact CE2-CE2 3.74Å; Y67-F95 HydrophobicContact CE2-CZ 4.31Å; Y67-F95 AromaticContact CG-CE2 3.86Å; Y67-F95 HydrophobicContact CG-CE2 3.86Å; Y67-F95 AromaticContact CG-CZ 3.62Å; Y67-F95 HydrophobicContact CG-CZ 3.62Å; Y67-E100 PolarHBondContact OH-OE2 3.02Å; Y67-L107 HydrophobicContact CD2-CD1 4.36Å; Y67-H108 VanDerWaalsContact CA-O 3.24Å; Y67-H108 WeakPolarHBondContact CA-O 3.44Å
68A94.1Very high89Confident4 Ų455.9 Ų55.93%0.03335%0.35CS..EExtended strand (participates in β ladder)trans-157.7148.7172.900000112.3H108 W110A68-H108 PolarHBondContact N-O 2.79Å; A68-H108 PolarHBondContact O-N 3.19Å; A68-W110 HydrophobicContact CB-CH2 4.05Å; A68-W110 HydrophobicContact CB-CZ3 3.87Å
69Y93.6Very high89.7Confident9 Ų957.3 Ų57.34%0.03535%0.353CS..  trans-85.9161.2162-66.4-79.8000111G71 E72 E100 R102 F105 L107Y69-G71 PolarHBondContact O-N 3.44Å; Y69-E72 WeakPolarHBondContact O-CB 3.32Å; Y69-E72 PolarHBondContact O-N 2.85Å; Y69-E100 VanDerWaalsContact CE2-O 3.23Å; Y69-E100 WeakPolarHBondContact CE2-O 3.43Å; Y69-E100 PolarHBondContact OH-O 3.2Å; Y69-R102 HydrophobicContact CE1-CB 3.8Å; Y69-R102 HydrophobicContact CE1-CG 4.32Å; Y69-R102 HydrophobicContact CE2-CB 4.46Å; Y69-R102 HydrophobicContact CE2-CG 4.13Å; Y69-R102 PolarHBondContact OH-N 2.93Å; Y69-F105 HydrophobicContact CD1-CB 3.93Å; Y69-F105 HydrophobicContact CE1-CB 4.04Å; Y69-L107 HydrophobicContact CD1-CD1 4.33Å; Y69-L107 HydrophobicContact CD2-CD1 4.33Å; Y69-L107 HydrophobicContact CE1-CB 4.09Å; Y69-L107 HydrophobicContact CE1-CD1 3.99Å; Y69-L107 HydrophobicContact CE2-CD1 3.99Å; Y69-L107 HydrophobicContact CG-CD1 4.49Å
70P91.5Very high90.1Very high80 Ų8054 Ų5452%0.51933%0.332SS..THydrogen-bonded Turntrans-54.1126.9178-26.735000111.9E72 P106P70-E72 VanDerWaalsContact C-N 3.35Å; P70-P106 VanDerWaalsContact CD-O 3.31Å; P70-P106 WeakPolarHBondContact CD-O 3.41Å; P70-P106 HydrophobicContact CG-CG 3.84Å
71G89.3Confident90.7Very high92 Ų9251.8 Ų51.895%0.94832%0.317SS*.THydrogen-bonded Turntrans86.3-4.1-179.300000115.4Y69Y69-G71 PolarHBondContact O-N 3.44Å
72E92.4Very high91Very high58 Ų5850.7 Ų50.727%0.27130%0.297SS..SBendtrans-96.9161.2177.7-61.4-168.6168.900113.2Y69 P70 R75 R102Y69-E72 WeakPolarHBondContact O-CB 3.32Å; Y69-E72 PolarHBondContact O-N 2.85Å; P70-E72 VanDerWaalsContact C-N 3.35Å; E72-R75 IonicContact OE1-NH2 3.16Å; E72-R75 IonicContact OE2-CZ 3.8Å; E72-R75 IonicContact OE2-NE 3.78Å; E72-R75 IonicContact OE2-NH2 2.82Å; E72-R75 PolarHBondContact OE2-NH2 3.13Å; E72-R102 IonicContact OE1-CZ 2.67Å; E72-R102 IonicContact OE1-NH1 3.29Å; E72-R102 PolarHBondContact OE1-NH1 3.41Å; E72-R102 IonicContact OE1-NH2 3.36Å; E72-R102 PolarHBondContact OE1-NH2 3.49Å; E72-R102 IonicContact OE2-NH1 3.65Å
73K92.3Very high90.9Very high182 Ų18255.5 Ų55.579%0.79133%0.332SS*.PPolyproline II helixtrans-79.6136.9171.8-67.4-177.7180177.40110R75K73-R75 PolarHBondContact O-N 3.22Å
74P92.3Very high90.4Very high81 Ų8155.1 Ų55.153%0.52633%0.332SS..PPolyproline II helixtrans-56130.6175.3-25.634.5000113L66 Y67L66-P74 HydrophobicContact CB-CB 4.46Å; Y67-P74 WeakPolarHBondContact O-CA 3.27Å
75R91.7Very high89.5Confident87 Ų8756.7 Ų56.733%0.32835%0.349SS..EExtended strand (participates in β ladder)trans-109.5152.3176.1-52.4-178.9-147.7-174.15.2109.4L66 Y67 E72 K73 E100L66-R75 CarbonylContact C-O 3.54Å; L66-R75 WeakPolarHBondContact CA-O 3.45Å; Y67-R75 HydrophobicContact CD1-CB 4.35Å; Y67-R75 WeakPolarHBondContact CD1-O 3.43Å; Y67-R75 HydrophobicContact CE1-CB 3.85Å; Y67-R75 HydrophobicContact CE2-CB 4.14Å; Y67-R75 PolarHBondContact N-O 3.2Å; Y67-R75 PolarHBondContact O-N 3.35Å; E72-R75 IonicContact OE1-NH2 3.16Å; E72-R75 IonicContact OE2-CZ 3.8Å; E72-R75 IonicContact OE2-NE 3.78Å; E72-R75 IonicContact OE2-NH2 2.82Å; E72-R75 PolarHBondContact OE2-NH2 3.13Å; K73-R75 PolarHBondContact O-N 3.22Å; R75-E100 IonicContact NH1-OE1 3.78Å; R75-E100 PolarHBondContact NH1-OE1 3.36Å
76A91.5Very high88.3Confident48 Ų4868.5 Ų68.540%0.39739%0.394SS..EExtended strand (participates in β ladder)trans-95.1133.2177.400000111Q64 L66Q64-A76 HydrophobicContact CG-CB 4.09Å; Q64-A76 VanDerWaalsContact NE2-CB 3.27Å; L66-A76 HydrophobicContact CD2-CB 3.91Å
77C90.9Very high87.2Confident7 Ų773.9 Ų73.95%0.04742%0.416CS..EExtended strand (participates in β ladder)trans-86.7138.9173.1-175.60000111L65 Y67 L79 C93L65-C77 HydrophobicContact CB-CB 4.41Å; L65-C77 HydrophobicContact CD2-CB 4.27Å; L65-C77 PolarHBondContact O-N 3.35Å; Y67-C77 HydrophobicContact CD1-CB 4.07Å; Y67-C77 HydrophobicContact CE1-CB 4Å; C77-L79 PolarHBondContact O-N 3.41Å; C77-C93 HydrophobicContact CB-CB 3.89Å; C77-C93 WeakPolarHBondContact CB-SG 3.21Å; C77-C93 WeakPolarHBondContact SG-CB 3.12Å; C77-C93 CovalentContact SG-SG 2Å; C77-C93 PolarHBondContact SG-SG 2.55Å
78P90.1Very high86.8Confident79 Ų7974.4 Ų74.451%0.51342%0.424SS..PPolyproline II helixtrans-62.1117.6171.425.9-34.5000110.8
79L90.3Very high86.5Confident56 Ų5675 Ų7529%0.29343%0.427SS..EExtended strand (participates in β ladder)trans-96132.1179.1-76.4168.8000111.5W52 Y63 L65 C77 V92 C93W52-L79 HydrophobicContact CH2-CD1 3.99Å; W52-L79 HydrophobicContact CH2-CD2 3.48Å; W52-L79 VanDerWaalsContact CH2-CD2 3.48Å; W52-L79 HydrophobicContact CH2-CG 4.41Å; W52-L79 HydrophobicContact CZ3-CD2 3.7Å; Y63-L79 VanDerWaalsContact O-CD1 3.24Å; Y63-L79 WeakPolarHBondContact O-CD1 3.23Å; L65-L79 HydrophobicContact CB-CD1 4.41Å; L65-L79 HydrophobicContact CB-CD2 4.11Å; L65-L79 HydrophobicContact CB-CG 4.42Å; C77-L79 PolarHBondContact O-N 3.41Å; L79-V92 CarbonylContact C-O 3.6Å; L79-V92 WeakPolarHBondContact CA-O 3.39Å; L79-C93 HydrophobicContact CD2-CB 3.88Å
80S89.1Confident86.3Confident20 Ų2075.2 Ų75.214%0.1443%0.428CS..EExtended strand (participates in β ladder)trans-109.1153.616572.50000110A21 Y91 V92A21-S80 PolarHBondContact O-OG 2.8Å; A21-S80 VanDerWaalsContact O-OG 3.14Å; S80-Y91 WeakPolarHBondContact O-CA 3.18Å; S80-V92 PolarHBondContact N-O 3.43Å; S80-V92 PolarHBondContact O-N 2.89Å; S80-V92 PolarHBondContact OG-O 2.89Å
81S87.6Confident86.3Confident77 Ų7772.2 Ų72.254%0.53841%0.407SS..EExtended strand (participates in β ladder)trans-119.3134.5176.359.50000110.4R90S81-R90 CarbonylContact C-O 3.57Å; S81-R90 WeakPolarHBondContact CA-O 3.46Å
82Q86.8Confident86.4Confident30 Ų3067.9 Ų67.914%0.1436%0.362CS..EExtended strand (participates in β ladder)trans-122.4132.3179.1-71.316353.800109.8A21 V23 R90A21-Q82 PolarHBondContact O-NE2 2.83Å; V23-Q82 PolarHBondContact O-OE1 3.48Å; Q82-R90 HydrophobicContact CB-CB 4.36Å; Q82-R90 PolarHBondContact N-O 2.99Å; Q82-R90 PolarHBondContact O-N 2.66Å
83S83.5Confident86.4Confident111 Ų11165.1 Ų65.178%0.77635%0.349SS*.EExtended strand (participates in β ladder)trans-77125173.8-174.90000109.9
84V79.8Confident86.4Confident23 Ų2360 Ų6014%0.13933%0.327CS..EExtended strand (participates in β ladder)trans-106.6118.1178.6-169.80000109R86 F87 G88 R90V84-R86 PolarHBondContact O-N 3.24Å; V84-R86 VanDerWaalsContact O-N 3.12Å; V84-F87 HydrophobicContact CB-CB 4.21Å; V84-F87 HydrophobicContact CG1-CB 3.88Å; V84-F87 HydrophobicContact CG1-CD2 4.09Å; V84-F87 HydrophobicContact CG1-CG 4.46Å; V84-F87 PolarHBondContact O-N 2.78Å; V84-F87 VanDerWaalsContact O-N 3.15Å; V84-G88 PolarHBondContact N-O 3.02Å; V84-G88 PolarHBondContact O-N 2.74Å; V84-R90 HydrophobicContact CG2-CB 3.6Å
85P72.7Confident86.2Confident107 Ų10756.8 Ų56.870%0.69531%0.306SS*.THydrogen-bonded Turntrans-57.2121.5-179.5-23.232.4000111.2F87P85-F87 VanDerWaalsContact C-N 3.27Å; P85-F87 VanDerWaalsContact O-CD2 3.27Å; P85-F87 WeakPolarHBondContact O-CD2 3.39Å; P85-F87 PolarHBondContact O-N 3.2Å
86R67.9Low85.5Confident248 Ų24856.7 Ų56.794%0.93632%0.316SS*.THydrogen-bonded Turntrans72-2.7-179.8-51.5177.4-177.6148.20.4117.2V84V84-R86 PolarHBondContact O-N 3.24Å; V84-R86 VanDerWaalsContact O-N 3.12Å
87F69.6Low84.6Confident143 Ų14356.6 Ų56.663%0.62732%0.315SS*.THydrogen-bonded Turntrans-124.413-177.1-61.1-78.4000113.7V84 P85V84-F87 HydrophobicContact CB-CB 4.21Å; V84-F87 HydrophobicContact CG1-CB 3.88Å; V84-F87 HydrophobicContact CG1-CD2 4.09Å; V84-F87 HydrophobicContact CG1-CG 4.46Å; V84-F87 PolarHBondContact O-N 2.78Å; V84-F87 VanDerWaalsContact O-N 3.15Å; P85-F87 VanDerWaalsContact C-N 3.27Å; P85-F87 VanDerWaalsContact O-CD2 3.27Å; P85-F87 WeakPolarHBondContact O-CD2 3.39Å; P85-F87 PolarHBondContact O-N 3.2Å
88G84.9Confident83.5Confident21 Ų2162.3 Ų62.322%0.21634%0.341CS..EExtended strand (participates in β ladder)trans85.8-130.5175.500000113.7E54 E55 V84E54-G88 CarbonylContact O-C 3.51Å; E54-G88 WeakPolarHBondContact O-CA 3.24Å; E55-G88 VanDerWaalsContact O-CA 3.24Å; E55-G88 WeakPolarHBondContact O-CA 3.5Å; V84-G88 PolarHBondContact N-O 3.02Å; V84-G88 PolarHBondContact O-N 2.74Å
89T88.3Confident82.5Confident16 Ų1667.4 Ų67.410%0.09836%0.358CS..EExtended strand (participates in β ladder)trans-122.3128.4-175.6-55.80000110.8E54 A57 Y91E54-T89 PolarHBondContact N-O 2.88Å; E54-T89 PolarHBondContact O-N 3.26Å; A57-T89 WeakPolarHBondContact CA-OG1 3.08Å; A57-T89 VanDerWaalsContact CB-OG1 3.24Å; A57-T89 WeakPolarHBondContact CB-OG1 3.06Å; T89-Y91 HydrophobicContact CG2-CE1 4.48Å; T89-Y91 HydrophobicContact CG2-CE2 4.18Å
90R89.9Confident81.9Confident13 Ų1366.7 Ų66.75%0.04935%0.353CS..EExtended strand (participates in β ladder)trans-94.7128.6172.6177.6170-66.5139.99.8110.5V28 F51 W52 D53 S81 Q82 V84 V92V28-R90 VanDerWaalsContact CG2-NH2 3.33Å; F51-R90 HydrophobicContact CB-CG 4.17Å; F51-R90 HydrophobicContact CD2-CG 4.15Å; W52-R90 WeakPolarHBondContact O-CA 3.25Å; D53-R90 WeakPolarHBondContact OD1-CB 3.33Å; D53-R90 VanDerWaalsContact OD1-CG 3.23Å; D53-R90 WeakPolarHBondContact OD1-CG 3.44Å; D53-R90 IonicContact OD1-CZ 3.5Å; D53-R90 IonicContact OD1-NE 3.57Å; D53-R90 PolarHBondContact OD1-NE 2.05Å; D53-R90 IonicContact OD1-NH2 2.76Å; D53-R90 PolarHBondContact OD1-NH2 3.12Å; D53-R90 IonicContact OD2-CZ 2.67Å; D53-R90 IonicContact OD2-NE 3.23Å; D53-R90 IonicContact OD2-NH2 3.89Å; D53-R90 PolarHBondContact OD2-NH2 3.35Å; S81-R90 CarbonylContact C-O 3.57Å; S81-R90 WeakPolarHBondContact CA-O 3.46Å; Q82-R90 HydrophobicContact CB-CB 4.36Å; Q82-R90 PolarHBondContact N-O 2.99Å; Q82-R90 PolarHBondContact O-N 2.66Å; V84-R90 HydrophobicContact CG2-CB 3.6Å; R90-V92 HydrophobicContact CG-CG2 3.67Å
91Y90.9Very high81.8Confident18 Ų1866.6 Ų66.67%0.07135%0.352CS..EExtended strand (participates in β ladder)trans-98.1131.3169.3-64.7-82.2000109.3F51 W52 E54 A58 Y63 S80 T89F51-Y91 WeakPolarHBondContact CA-O 3.41Å; F51-Y91 VanDerWaalsContact CB-O 3.27Å; F51-Y91 WeakPolarHBondContact CB-O 3.37Å; W52-Y91 AromaticContact CE2-CD2 3.88Å; W52-Y91 AromaticContact CE2-CG 3.99Å; W52-Y91 HydrophobicContact CH2-CG 4.31Å; W52-Y91 HydrophobicContact CZ2-CD2 4.01Å; W52-Y91 AromaticContact CZ2-CG 3.74Å; W52-Y91 HydrophobicContact CZ2-CG 3.74Å; W52-Y91 PolarHBondContact N-O 3.4Å; W52-Y91 VanDerWaalsContact N-O 3.13Å; W52-Y91 AromaticContact NE1-CD2 3.71Å; W52-Y91 PolarHBondContact O-N 3.25Å; E54-Y91 HydrophobicContact CB-CE2 4.1Å; E54-Y91 HydrophobicContact CG-CD2 4.23Å; E54-Y91 HydrophobicContact CG-CE2 3.97Å; A58-Y91 WeakPolarHBondContact CA-OH 3.37Å; A58-Y91 VanDerWaalsContact CB-OH 3.27Å; A58-Y91 WeakPolarHBondContact CB-OH 3.25Å; A58-Y91 PolarHBondContact N-OH 3.27Å; A58-Y91 PolarHBondContact O-OH 2.9Å; Y63-Y91 HydrophobicContact CD2-CD2 4.17Å; Y63-Y91 HydrophobicContact CD2-CE1 4.28Å; Y63-Y91 AromaticContact CD2-CE2 3.74Å; Y63-Y91 HydrophobicContact CD2-CE2 3.74Å; Y63-Y91 AromaticContact CD2-CZ 3.81Å; Y63-Y91 AromaticContact CE2-CE2 3.93Å; Y63-Y91 HydrophobicContact CE2-CE2 3.93Å; S80-Y91 WeakPolarHBondContact O-CA 3.18Å; T89-Y91 HydrophobicContact CG2-CE1 4.48Å; T89-Y91 HydrophobicContact CG2-CE2 4.18Å
92V92.4Very high82Confident0 Ų067.3 Ų67.30%034%0.343CS..EExtended strand (participates in β ladder)trans-127.4133.1-176.7-1780000109.7A21 V23 T49 C50 F51 L79 S80 R90A21-V92 HydrophobicContact CB-CG1 4.04Å; V23-V92 HydrophobicContact CB-CG2 4.28Å; V23-V92 HydrophobicContact CG2-CB 4.34Å; V23-V92 HydrophobicContact CG2-CG1 3.64Å; V23-V92 HydrophobicContact CG2-CG2 3.69Å; T49-V92 HydrophobicContact CG2-CG1 3.79Å; C50-V92 WeakPolarHBondContact O-CA 3.28Å; F51-V92 HydrophobicContact CB-CB 4.46Å; F51-V92 HydrophobicContact CB-CG2 3.87Å; L79-V92 CarbonylContact C-O 3.6Å; L79-V92 WeakPolarHBondContact CA-O 3.39Å; S80-V92 PolarHBondContact N-O 3.43Å; S80-V92 PolarHBondContact O-N 2.89Å; S80-V92 PolarHBondContact OG-O 2.89Å; R90-V92 HydrophobicContact CG-CG2 3.67Å
93C92.3Very high82.1Confident0 Ų068.4 Ų68.40%035%0.349CS..EExtended strand (participates in β ladder)trans-117.1130.2170148.10000108.4T49 C50 L65 C77 L79T49-C93 CarbonylContact C-O 3.6Å; T49-C93 VanDerWaalsContact CA-O 3.32Å; T49-C93 WeakPolarHBondContact CA-O 3.24Å; C50-C93 PolarHBondContact N-O 3.03Å; C50-C93 PolarHBondContact O-N 2.94Å; L65-C93 HydrophobicContact CD2-CB 3.48Å; L65-C93 VanDerWaalsContact CD2-CB 3.48Å; L65-C93 WeakPolarHBondContact CD2-SG 3.22Å; C77-C93 HydrophobicContact CB-CB 3.89Å; C77-C93 WeakPolarHBondContact CB-SG 3.21Å; C77-C93 WeakPolarHBondContact SG-CB 3.12Å; C77-C93 CovalentContact SG-SG 2Å; C77-C93 PolarHBondContact SG-SG 2.55Å; L79-C93 HydrophobicContact CD2-CB 3.88Å
94Q91Very high82.4Confident74 Ų7469.2 Ų69.235%0.34634%0.339SS..EExtended strand (participates in β ladder)trans-115.4130.7166.7-175.71778.900108.5A21A21-Q94 HydrophobicContact CB-CB 3.6Å
95F89.8Confident83.1Confident15 Ų1573.6 Ų73.67%0.06636%0.356CS..  trans-65.1131.2-178.7-84.344.8000109.7L48 Y67 A97 V101 L107 L109L48-F95 HydrophobicContact CB-CB 4.38Å; L48-F95 HydrophobicContact CB-CD1 4.03Å; L48-F95 HydrophobicContact CB-CD2 4.38Å; L48-F95 HydrophobicContact CB-CE1 4.48Å; L48-F95 HydrophobicContact CB-CG 4Å; L48-F95 HydrophobicContact CD2-CD1 4.17Å; L48-F95 HydrophobicContact CD2-CD2 4.43Å; L48-F95 HydrophobicContact CD2-CE1 3.78Å; L48-F95 HydrophobicContact CD2-CE2 4.04Å; L48-F95 HydrophobicContact CD2-CZ 3.72Å; L48-F95 HydrophobicContact CG-CD1 4.26Å; L48-F95 HydrophobicContact CG-CE1 4.27Å; L48-F95 WeakPolarHBondContact O-CD1 3.05Å; L48-F95 PolarHBondContact O-N 2.87Å; Y67-F95 HydrophobicContact CD1-CE2 4.4Å; Y67-F95 HydrophobicContact CD1-CZ 4.02Å; Y67-F95 HydrophobicContact CD2-CD2 4.42Å; Y67-F95 AromaticContact CD2-CE2 3.5Å; Y67-F95 HydrophobicContact CD2-CE2 3.5Å; Y67-F95 VanDerWaalsContact CD2-CE2 3.5Å; Y67-F95 AromaticContact CD2-CZ 3.78Å; Y67-F95 HydrophobicContact CD2-CZ 3.78Å; Y67-F95 HydrophobicContact CE2-CD2 4.23Å; Y67-F95 AromaticContact CE2-CE2 3.74Å; Y67-F95 HydrophobicContact CE2-CE2 3.74Å; Y67-F95 HydrophobicContact CE2-CZ 4.31Å; Y67-F95 AromaticContact CG-CE2 3.86Å; Y67-F95 HydrophobicContact CG-CE2 3.86Å; Y67-F95 AromaticContact CG-CZ 3.62Å; Y67-F95 HydrophobicContact CG-CZ 3.62Å; F95-A97 PolarHBondContact O-N 2.87Å; F95-V101 HydrophobicContact CD2-CG2 4.37Å; F95-L107 HydrophobicContact CE2-CD2 3.94Å; F95-L107 HydrophobicContact CZ-CD2 3.84Å; F95-L109 HydrophobicContact CZ-CD2 4.14Å
96P76.3Confident84.1Confident85 Ų8570.3 Ų70.355%0.55234%0.335SS*.SBendtrans-75.9-19.7-165.627.5-34.5000114.6
97A73.3Confident85.4Confident45 Ų4558.5 Ų58.537%0.37229%0.29SS..  trans-141.6140.6-179.300000111.8F95 E99 E100F95-A97 PolarHBondContact O-N 2.87Å; A97-E99 VanDerWaalsContact C-N 3.26Å; A97-E99 PolarHBondContact O-N 2.96Å; A97-E100 HydrophobicContact CB-CG 4.27Å; A97-E100 PolarHBondContact O-N 3.15Å
98Q67.7Low86.6Confident128 Ų12854.2 Ų54.260%0.59827%0.272SS*.G310 helixtrans-61.8-33.6177.6-70.4173.6-37.100112.2E46 E100 V101E46-Q98 HydrophobicContact CB-CB 4.35Å; E46-Q98 HydrophobicContact CB-CG 4.29Å; E46-Q98 WeakPolarHBondContact O-CA 3.47Å; Q98-E100 PolarHBondContact O-N 2Å; Q98-V101 PolarHBondContact O-N 2.62Å
99E67.8Low87.1Confident185 Ų18553.2 Ų53.286%0.86426%0.262SS*.G310 helixtrans-68.7-13179.8-60.9-176.9-177.400114.2A97A97-E99 VanDerWaalsContact C-N 3.26Å; A97-E99 PolarHBondContact O-N 2.96Å
100E79.2Confident87.4Confident41 Ų4154.9 Ų54.919%0.19227%0.266CS..G310 helixtrans-85.9-12.1176.9-64.7-164.3150.300113.1Y67 Y69 R75 A97 Q98Y67-E100 PolarHBondContact OH-OE2 3.02Å; Y69-E100 VanDerWaalsContact CE2-O 3.23Å; Y69-E100 WeakPolarHBondContact CE2-O 3.43Å; Y69-E100 PolarHBondContact OH-O 3.2Å; R75-E100 IonicContact NH1-OE1 3.78Å; R75-E100 PolarHBondContact NH1-OE1 3.36Å; A97-E100 HydrophobicContact CB-CG 4.27Å; A97-E100 PolarHBondContact O-N 3.15Å; Q98-E100 PolarHBondContact O-N 2Å
101V87.3Confident87.6Confident18 Ų1854.3 Ų54.311%0.10926%0.264CS..  trans-87.9123.7177.21780000109.2E46 L48 F95 Q98 V127E46-V101 WeakPolarHBondContact O-CG2 3.27Å; L48-V101 HydrophobicContact CB-CG2 4.28Å; F95-V101 HydrophobicContact CD2-CG2 4.37Å; Q98-V101 PolarHBondContact O-N 2.62Å; V101-V127 HydrophobicContact CG1-CB 4.09Å; V101-V127 HydrophobicContact CG1-CG1 3.63Å; V101-V127 HydrophobicContact CG1-CG2 4.13Å
102R90Very high87.7Confident93 Ų9356 Ų5635%0.35127%0.272SS..  trans-123.7115.7178.5-57.9-178.3-175.2144.50.3109.2Y69 E72 F105Y69-R102 HydrophobicContact CE1-CB 3.8Å; Y69-R102 HydrophobicContact CE1-CG 4.32Å; Y69-R102 HydrophobicContact CE2-CB 4.46Å; Y69-R102 HydrophobicContact CE2-CG 4.13Å; Y69-R102 PolarHBondContact OH-N 2.93Å; E72-R102 IonicContact OE1-CZ 2.67Å; E72-R102 IonicContact OE1-NH1 3.29Å; E72-R102 PolarHBondContact OE1-NH1 3.41Å; E72-R102 IonicContact OE1-NH2 3.36Å; E72-R102 PolarHBondContact OE1-NH2 3.49Å; E72-R102 IonicContact OE2-NH1 3.65Å; R102-F105 HydrophobicContact CB-CB 4.39Å; R102-F105 HydrophobicContact CB-CD2 3.98Å
103L89.8Confident87.6Confident52 Ų5256.6 Ų56.627%0.27228%0.275SS..THydrogen-bonded Turntrans-70.7148.7175.7-59.8178.5000111.1F45 F105 V127 D128F45-L103 HydrophobicContact CB-CD1 4.21Å; F45-L103 HydrophobicContact CB-CD2 3.97Å; F45-L103 HydrophobicContact CD1-CD2 4.24Å; F45-L103 WeakPolarHBondContact O-CD2 3.41Å; L103-F105 WeakPolarHBondContact O-CD2 3.31Å; L103-F105 PolarHBondContact O-N 3.14Å; L103-F105 VanDerWaalsContact O-N 3.17Å; L103-V127 HydrophobicContact CD2-CB 4.09Å; L103-V127 HydrophobicContact CD2-CG1 4.09Å; L103-D128 HydrophobicContact CB-CB 4.43Å; L103-D128 HydrophobicContact CD2-CB 4.07Å
104F90.4Very high87.4Confident128 Ų12859.9 Ų59.956%0.56130%0.295SS*.THydrogen-bonded Turntrans65.410.9177.2-42.9-69.7000115.1D128F104-D128 WeakPolarHBondContact CA-OD1 3.11Å; F104-D128 HydrophobicContact CD1-CB 3.98Å; F104-D128 HydrophobicContact CE1-CB 3.81Å; F104-D128 HydrophobicContact CZ-CB 4.4Å; F104-D128 PolarHBondContact N-OD1 2.88Å
105F92.9Very high87.2Confident116 Ų11663.3 Ų63.351%0.50931%0.309SS..SBendtrans-112.3139172.5-71.4-86.1000110.9Y69 R102 L103 L107Y69-F105 HydrophobicContact CD1-CB 3.93Å; Y69-F105 HydrophobicContact CE1-CB 4.04Å; R102-F105 HydrophobicContact CB-CB 4.39Å; R102-F105 HydrophobicContact CB-CD2 3.98Å; L103-F105 WeakPolarHBondContact O-CD2 3.31Å; L103-F105 PolarHBondContact O-N 3.14Å; L103-F105 VanDerWaalsContact O-N 3.17Å; F105-L107 PolarHBondContact O-N 3.44Å
106P95.4Very high87Confident37 Ų3768.2 Ų68.224%0.2434%0.335CS..  trans-70.4115.7177.927.5-32.1000110.2P70 V124 F126P70-P106 VanDerWaalsContact CD-O 3.31Å; P70-P106 WeakPolarHBondContact CD-O 3.41Å; P70-P106 HydrophobicContact CG-CG 3.84Å; P106-V124 HydrophobicContact CB-CG1 3.78Å; P106-F126 HydrophobicContact CB-CE1 3.88Å; P106-F126 HydrophobicContact CB-CE2 4.38Å; P106-F126 HydrophobicContact CB-CZ 3.74Å; P106-F126 HydrophobicContact CG-CE1 4.38Å; P106-F126 HydrophobicContact CG-CZ 4.46Å
107L94.8Very high87.4Confident0 Ų069.7 Ų69.70%034%0.338CS..EExtended strand (participates in β ladder)trans-90.6121.4173.1179.565.2000109.3L48 Y67 Y69 F95 F105 L109 V124 L125 V127L48-L107 HydrophobicContact CD2-CD2 3.41Å; L48-L107 VanDerWaalsContact CD2-CD2 3.41Å; Y67-L107 HydrophobicContact CD2-CD1 4.36Å; Y69-L107 HydrophobicContact CD1-CD1 4.33Å; Y69-L107 HydrophobicContact CD2-CD1 4.33Å; Y69-L107 HydrophobicContact CE1-CB 4.09Å; Y69-L107 HydrophobicContact CE1-CD1 3.99Å; Y69-L107 HydrophobicContact CE2-CD1 3.99Å; Y69-L107 HydrophobicContact CG-CD1 4.49Å; F95-L107 HydrophobicContact CE2-CD2 3.94Å; F95-L107 HydrophobicContact CZ-CD2 3.84Å; F105-L107 PolarHBondContact O-N 3.44Å; L107-L109 HydrophobicContact CD2-CD2 4.07Å; L107-L109 HydrophobicContact CD2-CG 4.39Å; L107-L109 HydrophobicContact CG-CD2 4.23Å; L107-L109 HydrophobicContact CG-CG 4.29Å; L107-V124 WeakPolarHBondContact O-CA 3.37Å; L107-L125 WeakPolarHBondContact CB-O 3.48Å; L107-L125 PolarHBondContact N-O 2.93Å; L107-L125 PolarHBondContact O-N 2.75Å; L107-V127 HydrophobicContact CD2-CG2 4.39Å
108H95.2Very high88.2Confident53 Ų5373.2 Ų73.225%0.24535%0.347CS..EExtended strand (participates in β ladder)trans-90.3130.4174.5-66.3-103.9000110.1Y67 A68 W110Y67-H108 VanDerWaalsContact CA-O 3.24Å; Y67-H108 WeakPolarHBondContact CA-O 3.44Å; A68-H108 PolarHBondContact N-O 2.79Å; A68-H108 PolarHBondContact O-N 3.19Å; H108-W110 HydrophobicContact CB-CE3 4.47Å; H108-W110 HydrophobicContact CB-CH2 3.19Å; H108-W110 HydrophobicContact CB-CZ2 3.44Å; H108-W110 VanDerWaalsContact CB-CZ2 3.44Å; H108-W110 HydrophobicContact CB-CZ3 3.76Å; H108-W110 WeakPolarHBondContact O-CZ3 3.46Å
109L94.9Very high89.3Confident0 Ų070.3 Ų70.30%034%0.338CS..EExtended strand (participates in β ladder)trans-123.1136.1-178.4-64.1166.8000110L38 L66 F95 L107 Q122 R123 L125L38-L109 HydrophobicContact CD2-CB 3.88Å; L38-L109 HydrophobicContact CD2-CD1 4.04Å; L66-L109 WeakPolarHBondContact O-CA 3.16Å; F95-L109 HydrophobicContact CZ-CD2 4.14Å; L107-L109 HydrophobicContact CD2-CD2 4.07Å; L107-L109 HydrophobicContact CD2-CG 4.39Å; L107-L109 HydrophobicContact CG-CD2 4.23Å; L107-L109 HydrophobicContact CG-CG 4.29Å; L109-Q122 WeakPolarHBondContact O-CA 3.2Å; L109-R123 PolarHBondContact N-O 2.87Å; L109-R123 PolarHBondContact O-N 2.9Å; L109-L125 HydrophobicContact CD1-CB 4.03Å; L109-L125 HydrophobicContact CD1-CD2 3.97Å
110W94.4Very high90.3Very high52 Ų5265.4 Ų65.420%0.19732%0.315CS..EExtended strand (participates in β ladder)trans-135.4124.1177.3-55.2-87.9000111.2L65 L66 A68 H108 T119 I121L65-W110 CarbonylContact C-O 3.53Å; L65-W110 WeakPolarHBondContact CA-O 3.4Å; L66-W110 HydrophobicContact CB-CB 4.4Å; L66-W110 HydrophobicContact CB-CE3 4.18Å; L66-W110 PolarHBondContact N-O 3.37Å; L66-W110 PolarHBondContact O-N 2.99Å; A68-W110 HydrophobicContact CB-CH2 4.05Å; A68-W110 HydrophobicContact CB-CZ3 3.87Å; H108-W110 HydrophobicContact CB-CE3 4.47Å; H108-W110 HydrophobicContact CB-CH2 3.19Å; H108-W110 HydrophobicContact CB-CZ2 3.44Å; H108-W110 VanDerWaalsContact CB-CZ2 3.44Å; H108-W110 HydrophobicContact CB-CZ3 3.76Å; H108-W110 WeakPolarHBondContact O-CZ3 3.46Å; W110-T119 HydrophobicContact CB-CG2 4.07Å; W110-T119 HydrophobicContact CG-CG2 4.41Å; W110-I121 CarbonylContact C-O 3.55Å; W110-I121 WeakPolarHBondContact CA-O 3.3Å
111V94.1Very high90.9Very high0 Ų064.6 Ų64.60%031%0.312CS..EExtended strand (participates in β ladder)trans-91.2114.9166.4-179.30000107.5L38 W52 Y63 L65 Q120 I121L38-V111 HydrophobicContact CD1-CG2 4.12Å; L38-V111 HydrophobicContact CD2-CG2 4.33Å; W52-V111 HydrophobicContact CD2-CG2 4.34Å; W52-V111 HydrophobicContact CE3-CG2 4.18Å; W52-V111 HydrophobicContact CH2-CG1 4.13Å; W52-V111 HydrophobicContact CH2-CG2 4.32Å; W52-V111 HydrophobicContact CZ2-CG1 3.7Å; W52-V111 HydrophobicContact CZ2-CG2 4.48Å; W52-V111 HydrophobicContact CZ3-CG2 4.17Å; Y63-V111 HydrophobicContact CD1-CG1 4.28Å; L65-V111 HydrophobicContact CD1-CG2 3.56Å; V111-Q120 PolarHBondContact O-N 2.73Å; V111-I121 HydrophobicContact CB-CB 3.94Å; V111-I121 HydrophobicContact CB-CD1 4.38Å; V111-I121 HydrophobicContact CB-CG1 4.33Å; V111-I121 HydrophobicContact CG2-CB 3.99Å; V111-I121 HydrophobicContact CG2-CD1 4.15Å; V111-I121 HydrophobicContact CG2-CG1 4.47Å; V111-I121 PolarHBondContact N-O 3.2Å; V111-I121 PolarHBondContact O-N 2.87Å
112K92.6Very high91.2Very high54 Ų5470 Ų7024%0.23534%0.336CS..EExtended strand (participates in β ladder)trans-111.2131.3-178.6-168174.3-179.6-178.80110.4Y63 Q64 L66 V114 N117Y63-K112 WeakPolarHBondContact CA-O 3.31Å; Q64-K112 PolarHBondContact N-O 2.93Å; Q64-K112 PolarHBondContact O-N 3.26Å; L66-K112 HydrophobicContact CD1-CD 4.2Å; K112-V114 PolarHBondContact O-N 3.1Å; K112-N117 WeakPolarHBondContact CE-OD1 3.48Å; K112-N117 PolarHBondContact NZ-OD1 2.81Å
113N90.6Very high91.4Very high12 Ų1266.9 Ų66.96%0.06433%0.325CS..EExtended strand (participates in β ladder)trans-79.7114.9165-173.2-52.8000108.3T62 Y63 F115 L116 N117 Q118T62-N113 CarbonylContact O-C 3.45Å; T62-N113 WeakPolarHBondContact O-CA 3.32Å; Y63-N113 HydrophobicContact CD1-CB 4.35Å; Y63-N113 HydrophobicContact CE1-CB 4.2Å; N113-F115 PolarHBondContact OD1-N 3.17Å; N113-F115 VanDerWaalsContact OD1-N 3.1Å; N113-L116 HydrophobicContact CB-CB 4.32Å; N113-L116 PolarHBondContact OD1-N 2.69Å; N113-N117 WeakPolarHBondContact O-CA 3.38Å; N113-N117 PolarHBondContact O-N 2.98Å; N113-Q118 PolarHBondContact N-O 2.95Å; N113-Q118 PolarHBondContact O-N 3.08Å
114V88.6Confident91.6Very high70 Ų7067.7 Ų67.742%0.42433%0.332SS..THydrogen-bonded Turntrans-69.3-36.2-173.2-1760000111.1T62 Q64 K112T62-V114 PolarHBondContact O-N 2.79Å; Q64-V114 HydrophobicContact CB-CG2 3.69Å; K112-V114 PolarHBondContact O-N 3.1Å
115F85.2Confident91.7Very high145 Ų14561.8 Ų61.864%0.63631%0.306SS*.THydrogen-bonded Turntrans-72.1-42.3-179.2-65.2-73000112.5T62 N113 N117T62-F115 VanDerWaalsContact CA-CE2 3.48Å; T62-F115 HydrophobicContact CG2-CD2 4.02Å; T62-F115 HydrophobicContact CG2-CE2 4.37Å; T62-F115 WeakPolarHBondContact OG1-CE2 2.99Å; N113-F115 PolarHBondContact OD1-N 3.17Å; N113-F115 VanDerWaalsContact OD1-N 3.1Å; F115-N117 VanDerWaalsContact C-N 3.33Å
116L85.7Confident91.8Very high118 Ų11860.3 Ų60.362%0.61830%0.3SS*.THydrogen-bonded Turntrans-86.4-7.5179.4-62.4176.2000113N113 Q118N113-L116 HydrophobicContact CB-CB 4.32Å; N113-L116 PolarHBondContact OD1-N 2.69Å; L116-Q118 HydrophobicContact CB-CB 4.19Å; L116-Q118 PolarHBondContact O-N 2.84Å; L116-Q118 VanDerWaalsContact O-N 3.11Å
117N85.8Confident91.6Very high116 Ų11658.6 Ų58.662%0.6229%0.288SS*.THydrogen-bonded Turntrans51.629.8-173.8-162.922.8000113.1K112 N113 F115K112-N117 WeakPolarHBondContact CE-OD1 3.48Å; K112-N117 PolarHBondContact NZ-OD1 2.81Å; N113-N117 WeakPolarHBondContact O-CA 3.38Å; N113-N117 PolarHBondContact O-N 2.98Å; F115-N117 VanDerWaalsContact C-N 3.33Å
118Q89.6Confident91.5Very high119 Ų11959.8 Ų59.856%0.55629%0.294SS*.EExtended strand (participates in β ladder)trans-112.8135.1-173.4-173.7176.3-1.800110.4N113 L116N113-Q118 PolarHBondContact N-O 2.95Å; N113-Q118 PolarHBondContact O-N 3.08Å; L116-Q118 HydrophobicContact CB-CB 4.19Å; L116-Q118 PolarHBondContact O-N 2.84Å; L116-Q118 VanDerWaalsContact O-N 3.11Å
119T91.6Very high91.3Very high67 Ų6760 Ų6041%0.41130%0.302SS..EExtended strand (participates in β ladder)trans-79.3118.2171.3-500000109W110W110-T119 HydrophobicContact CB-CG2 4.07Å; W110-T119 HydrophobicContact CG-CG2 4.41Å
120Q88.9Confident91.2Very high82 Ų8260.9 Ų60.938%0.38331%0.308SS..EExtended strand (participates in β ladder)trans-89.8-44.5179.6-73.3-172.5-12.300112V111V111-Q120 PolarHBondContact O-N 2.73Å
121I91.9Very high91.1Very high25 Ų2558.5 Ų58.513%0.12830%0.299CS..EExtended strand (participates in β ladder)trans-125.6136.4-178.7-53.8170.9000108.5P37 L38 W110 V111P37-I121 HydrophobicContact CB-CD1 4.23Å; P37-I121 HydrophobicContact CG-CG2 3.84Å; L38-I121 HydrophobicContact CB-CG2 3.88Å; W110-I121 CarbonylContact C-O 3.55Å; W110-I121 WeakPolarHBondContact CA-O 3.3Å; V111-I121 HydrophobicContact CB-CB 3.94Å; V111-I121 HydrophobicContact CB-CD1 4.38Å; V111-I121 HydrophobicContact CB-CG1 4.33Å; V111-I121 HydrophobicContact CG2-CB 3.99Å; V111-I121 HydrophobicContact CG2-CD1 4.15Å; V111-I121 HydrophobicContact CG2-CG1 4.47Å; V111-I121 PolarHBondContact N-O 3.2Å; V111-I121 PolarHBondContact O-N 2.87Å
122Q92.9Very high91Very high131 Ų13158.7 Ų58.761%0.61230%0.3SS*.EExtended strand (participates in β ladder)trans-131.1123.5171.3177.2172.2-13.600108.5L109L109-Q122 WeakPolarHBondContact O-CA 3.2Å
123R93.4Very high90.9Very high27 Ų2756.2 Ų56.210%0.10229%0.289CS..EExtended strand (participates in β ladder)trans-133.4141.9179.3-173173.7177.3173.35.2109.6D34 E36 L38 L109D34-R123 IonicContact OD2-CZ 3.66Å; D34-R123 IonicContact OD2-NH1 3.68Å; D34-R123 PolarHBondContact OD2-NH1 3.09Å; D34-R123 IonicContact OD2-NH2 3.23Å; D34-R123 PolarHBondContact OD2-NH2 3.3Å; E36-R123 VanDerWaalsContact CB-CZ 3.48Å; E36-R123 VanDerWaalsContact CG-CZ 3.5Å; E36-R123 IonicContact OE2-NE 2.65Å; L38-R123 WeakPolarHBondContact O-CD 3.24Å; L38-R123 PolarHBondContact O-NH1 3.37Å; L109-R123 PolarHBondContact N-O 2.87Å; L109-R123 PolarHBondContact O-N 2.9Å
124V94.1Very high90.8Very high70 Ų7057 Ų5742%0.42430%0.297SS..EExtended strand (participates in β ladder)trans-107.9130.4166.6-176.30000107.3P106 L107P106-V124 HydrophobicContact CB-CG1 3.78Å; L107-V124 WeakPolarHBondContact O-CA 3.37Å
125L93.8Very high90.8Very high4 Ų455.6 Ų55.62%0.02129%0.29CS..EExtended strand (participates in β ladder)trans-130.9142.5-170.7-173.977.4000110.1C40 L48 L107 L109 V130C40-L125 HydrophobicContact CB-CD1 4.31Å; C40-L125 HydrophobicContact CB-CD2 3.68Å; L48-L125 HydrophobicContact CD1-CD2 3.84Å; L48-L125 HydrophobicContact CD2-CD2 3.97Å; L107-L125 WeakPolarHBondContact CB-O 3.48Å; L107-L125 PolarHBondContact N-O 2.93Å; L107-L125 PolarHBondContact O-N 2.75Å; L109-L125 HydrophobicContact CD1-CB 4.03Å; L109-L125 HydrophobicContact CD1-CD2 3.97Å; L125-V130 HydrophobicContact CD1-CB 4.41Å; L125-V130 HydrophobicContact CD1-CG1 3.47Å; L125-V130 VanDerWaalsContact CD1-CG1 3.47Å; L125-V130 HydrophobicContact CD1-CG2 4.15Å; L125-V130 HydrophobicContact CD2-CG2 4.13Å; L125-V130 HydrophobicContact CG-CG1 4.43Å; L125-V130 HydrophobicContact CG-CG2 4.29Å
126F93.5Very high91Very high85 Ų8549 Ų4937%0.37326%0.262SS..  trans-108.3120.9165.5-67.9-92000107.8P106 D128 S129P106-F126 HydrophobicContact CB-CE1 3.88Å; P106-F126 HydrophobicContact CB-CE2 4.38Å; P106-F126 HydrophobicContact CB-CZ 3.74Å; P106-F126 HydrophobicContact CG-CE1 4.38Å; P106-F126 HydrophobicContact CG-CZ 4.46Å; F126-D128 PolarHBondContact O-N 3.28Å; F126-S129 PolarHBondContact O-N 2.78Å; F126-S129 PolarHBondContact O-OG 2.88Å
127V92.3Very high90.9Very high0 Ų046 Ų460%025%0.25CC..G310 helixtrans-65.5-33.4-173.9-178.90000111.4L48 V101 L103 L107 S129 V130L48-V127 HydrophobicContact CD1-CG1 4.39Å; L48-V127 HydrophobicContact CD1-CG2 4.34Å; L48-V127 HydrophobicContact CD2-CG2 4.07Å; V101-V127 HydrophobicContact CG1-CB 4.09Å; V101-V127 HydrophobicContact CG1-CG1 3.63Å; V101-V127 HydrophobicContact CG1-CG2 4.13Å; L103-V127 HydrophobicContact CD2-CB 4.09Å; L103-V127 HydrophobicContact CD2-CG1 4.09Å; L107-V127 HydrophobicContact CD2-CG2 4.39Å; V127-S129 PolarHBondContact O-N 2.62Å; V127-S129 VanDerWaalsContact O-N 3.12Å; V127-V130 PolarHBondContact O-N 3.41Å
128D92.2Very high90.7Very high25 Ų2545.3 Ų45.313%0.13425%0.246CC..G310 helixtrans-61.1-13.3171.752.2-71.4000114.2L103 F104 F126 L265 G266L103-D128 HydrophobicContact CB-CB 4.43Å; L103-D128 HydrophobicContact CD2-CB 4.07Å; F104-D128 WeakPolarHBondContact CA-OD1 3.11Å; F104-D128 HydrophobicContact CD1-CB 3.98Å; F104-D128 HydrophobicContact CE1-CB 3.81Å; F104-D128 HydrophobicContact CZ-CB 4.4Å; F104-D128 PolarHBondContact N-OD1 2.88Å; F126-D128 PolarHBondContact O-N 3.28Å; D128-L265 HydrophobicContact CB-CD2 4.21Å; D128-G266 WeakPolarHBondContact O-CA 3.27Å; D128-G266 PolarHBondContact O-N 3.34Å
129S92Very high90.4Very high58 Ų5840.8 Ų40.841%0.40623%0.225SC..G310 helixtrans-102.5-7.318071.10000114.7F126 V127 G266F126-S129 PolarHBondContact O-N 2.78Å; F126-S129 PolarHBondContact O-OG 2.88Å; V127-S129 PolarHBondContact O-N 2.62Å; V127-S129 VanDerWaalsContact O-N 3.12Å; S129-G266 CarbonylContact C-O 3.57Å; S129-G266 VanDerWaalsContact C-O 3.3Å; S129-G266 CarbonylContact O-C 3.51Å
130V92.2Very high90.2Very high19 Ų1942.1 Ų42.112%0.11523%0.225CC..  trans-118.437.7-173.9-66.50000113.3F41 S42 L48 L125 V127 L132F41-V130 CarbonylContact C-O 3.49Å; F41-V130 VanDerWaalsContact CA-O 3.31Å; F41-V130 WeakPolarHBondContact CA-O 3.39Å; S42-V130 PolarHBondContact N-O 3.39Å; L48-V130 HydrophobicContact CD1-CG2 4.2Å; L125-V130 HydrophobicContact CD1-CB 4.41Å; L125-V130 HydrophobicContact CD1-CG1 3.47Å; L125-V130 VanDerWaalsContact CD1-CG1 3.47Å; L125-V130 HydrophobicContact CD1-CG2 4.15Å; L125-V130 HydrophobicContact CD2-CG2 4.13Å; L125-V130 HydrophobicContact CG-CG1 4.43Å; L125-V130 HydrophobicContact CG-CG2 4.29Å; V127-V130 PolarHBondContact O-N 3.41Å; V130-L132 PolarHBondContact O-N 2.65Å
131G91.8Very high90.1Very high1 Ų139 Ų391%0.0121%0.213CC..BIsolated β-bridgetrans-61.2131171.800000112.3S42 G266 G267 S268S42-G131 CarbonylContact O-C 3.58Å; G131-G266 PolarHBondContact N-O 2.83Å; G131-G267 CarbonylContact O-C 3.51Å; G131-G267 WeakPolarHBondContact O-CA 3.36Å; G131-S268 PolarHBondContact O-N 2.97Å
132L92.2Very high89.7Confident4 Ų439 Ų392%0.02121%0.213CC..  trans-13675.5166.9-171.571.7000107.5D27 L30 L31 F41 S42 V130 S268D27-L132 HydrophobicContact CB-CD2 4.29Å; L30-L132 HydrophobicContact CB-CD1 4.14Å; L30-L132 HydrophobicContact CD1-CD1 4.1Å; L31-L132 HydrophobicContact CD1-CD2 4.32Å; L31-L132 HydrophobicContact CG-CD2 4.38Å; F41-L132 HydrophobicContact CB-CB 3.77Å; F41-L132 HydrophobicContact CB-CD2 4.1Å; F41-L132 HydrophobicContact CD1-CD2 4.45Å; F41-L132 HydrophobicContact CD2-CB 4.13Å; F41-L132 HydrophobicContact CD2-CD2 3.94Å; F41-L132 HydrophobicContact CG-CB 4.24Å; F41-L132 HydrophobicContact CG-CD2 3.91Å; S42-L132 CarbonylContact O-C 3.45Å; S42-L132 PolarHBondContact O-N 2.67Å; V130-L132 PolarHBondContact O-N 2.65Å; L132-S268 WeakPolarHBondContact CD1-OG 3.35Å
133P90.3Very high89.2Confident2 Ų234 Ų341%0.01320%0.197CC..PPolyproline II helixtrans-58.3145.6-175.1-23.234.1000111.7P157 L165 P260 G270P133-P157 HydrophobicContact CB-CG 4.45Å; P133-L165 HydrophobicContact CB-CD2 4.21Å; P133-L165 HydrophobicContact CG-CD2 3.73Å; P133-P260 HydrophobicContact CG-CG 3.98Å; P133-G270 VanDerWaalsContact O-CA 3.31Å; P133-G270 WeakPolarHBondContact O-CA 3.43Å
134A89.1Confident88.6Confident28 Ų2833.4 Ų33.423%0.23120%0.199CC..PPolyproline II helixtrans-65.2155.2169.200000110.5P157 S258A134-P157 HydrophobicContact CB-CB 3.91Å; A134-P157 WeakPolarHBondContact O-CB 3.23Å; A134-P157 WeakPolarHBondContact O-CG 3.39Å; A134-S258 PolarHBondContact O-OG 2.9Å; A134-S258 VanDerWaalsContact O-OG 3.08Å
135P89.3Confident87.9Confident42 Ų4231.7 Ų31.727%0.27319%0.19SC..PPolyproline II helixtrans-61.5148175.821.3-29.6000110.9S271P135-S271 WeakPolarHBondContact CB-O 3.47Å; P135-S271 WeakPolarHBondContact CD-OG 3.19Å
136P88.1Confident87.4Confident7 Ų735.7 Ų35.75%0.04521%0.208CC..PPolyproline II helixtrans-55.5147.6172.8-24.634.9000112.2W154 Y167 L256P136-W154 HydrophobicContact CB-CB 4.21Å; P136-W154 HydrophobicContact CB-CG 4.23Å; P136-Y167 HydrophobicContact CG-CD1 3.72Å; P136-Y167 HydrophobicContact CG-CE1 3.76Å; P136-L256 HydrophobicContact CB-CB 4.49Å; P136-L256 HydrophobicContact CG-CB 4.05Å
137S83.8Confident87.1Confident53 Ų5332.9 Ų32.937%0.37120%0.199SC..EExtended strand (participates in β ladder)trans-114.9167.1-177.375.30000111.7I139 E155S137-I139 VanDerWaalsContact C-N 3.29Å; S137-I139 PolarHBondContact O-N 2.86Å; S137-E155 PolarHBondContact N-O 3.23Å; S137-E155 VanDerWaalsContact N-O 3.09Å; S137-E155 PolarHBondContact O-N 3.19Å
138I81.2Confident86.8Confident103 Ų10333.1 Ų33.153%0.52820%0.201SC..EExtended strand (participates in β ladder)trans52.646.8178.4-41.5-170000112.1K140 E155I138-K140 PolarHBondContact O-N 3.42Å; I138-K140 VanDerWaalsContact O-N 3.11Å; I138-E155 HydrophobicContact CB-CB 4.47Å; I138-E155 WeakPolarHBondContact CD1-OE2 3.06Å
139I83.9Confident86.5Confident24 Ų2432.7 Ų32.712%0.12320%0.198CC..EExtended strand (participates in β ladder)trans-71.5110.1177.7-59.2165.8000108.4S137 S153 W154 L254 L256 S273 V276S137-I139 VanDerWaalsContact C-N 3.29Å; S137-I139 PolarHBondContact O-N 2.86Å; I139-S153 CarbonylContact C-O 3.3Å; I139-S153 WeakPolarHBondContact CA-O 3.45Å; I139-W154 HydrophobicContact CG1-CB 4.08Å; I139-L254 HydrophobicContact CG2-CD1 3.63Å; I139-L256 HydrophobicContact CD1-CB 4.16Å; I139-L256 HydrophobicContact CD1-CD1 4.19Å; I139-L256 HydrophobicContact CG2-CD1 4.18Å; I139-S273 WeakPolarHBondContact CD1-OG 2.98Å; I139-V276 HydrophobicContact CB-CG2 4Å; I139-V276 HydrophobicContact CG2-CG2 4.04Å
140K86.6Confident86.3Confident94 Ų9429.9 Ų29.941%0.40918%0.179SC..EExtended strand (participates in β ladder)trans-98.7133.2172.1-65.6176-176.9169.80108.6I138 I152 S153I138-K140 PolarHBondContact O-N 3.42Å; I138-K140 VanDerWaalsContact O-N 3.11Å; K140-I152 CarbonylContact O-C 3.57Å; K140-I152 VanDerWaalsContact O-CA 3.27Å; K140-I152 WeakPolarHBondContact O-CA 3.39Å; K140-S153 PolarHBondContact N-O 3.27Å; K140-S153 PolarHBondContact O-N 2.82Å
141A86.6Confident85.9Confident16 Ų1629.6 Ų29.613%0.13218%0.176CC..EExtended strand (participates in β ladder)trans-131.1126.8178.100000108.8L150 I152 L254 V276 V278A141-L150 HydrophobicContact CB-CD1 4.25Å; A141-I152 HydrophobicContact CB-CG2 4.28Å; A141-L254 HydrophobicContact CB-CD2 3.68Å; A141-V276 HydrophobicContact CB-CG1 4Å; A141-V278 HydrophobicContact CB-CB 4.03Å; A141-V278 HydrophobicContact CB-CG1 4.47Å; A141-V278 HydrophobicContact CB-CG2 4.39Å
142M84.8Confident85.7Confident26 Ų2629.6 Ų29.613%0.12818%0.176CC..EExtended strand (participates in β ladder)trans-145.9155.2-17757.9-173.2-71.100110.9G144 L150 Q151 Y328M142-G144 PolarHBondContact O-N 3.21Å; M142-L150 WeakPolarHBondContact O-CD1 3.43Å; M142-Q151 HydrophobicContact CG-CB 4.06Å; M142-Q151 PolarHBondContact N-O 3.46Å; M142-Q151 PolarHBondContact O-N 3.29Å; M142-Y328 HydrophobicContact CB-CE1 4.06Å; M142-Y328 HydrophobicContact CE-CD1 3.81Å; M142-Y328 HydrophobicContact CE-CE1 4.05Å; M142-Y328 HydrophobicContact CE-CG 4.4Å; M142-Y328 HydrophobicContact SD-CE1 4.33Å
143G82.4Confident85.4Confident27 Ų2730 Ų3028%0.27818%0.179SC..EExtended strand (participates in β ladder)trans-55.7138.3171.400000110.8
144G79.9Confident85.2Confident13 Ų1330.6 Ų30.613%0.13418%0.181CC..  trans-75.7-162.8176.500000112.7M142 E149M142-G144 PolarHBondContact O-N 3.21Å; G144-E149 PolarHBondContact N-O 2.74Å
145S79.1Confident85.1Confident34 Ų3431.9 Ų31.924%0.23818%0.182CC..SBendtrans-84.6-20.2-173.873.80000113.3E149 H363S145-E149 PolarHBondContact N-OE2 3.25Å; S145-E149 PolarHBondContact OG-OE2 3.33Å; S145-H363 PolarHBondContact O-ND1 3.27Å
146Q84.1Confident84.9Confident89 Ų8930.1 Ų30.142%0.41617%0.171SC..SBendtrans-121.7157.2177.3-46.7-174.12200111.2G148 E149 P382Q146-G148 PolarHBondContact O-N 3.01Å; Q146-E149 VanDerWaalsContact CB-CD 3.47Å; Q146-E149 HydrophobicContact CB-CG 3.89Å; Q146-E149 HydrophobicContact CG-CG 4.47Å; Q146-E149 WeakPolarHBondContact CG-OE1 3.09Å; Q146-E149 PolarHBondContact N-OE2 2.89Å; Q146-E149 WeakPolarHBondContact O-CB 3.14Å; Q146-E149 PolarHBondContact O-N 3.06Å; Q146-E149 VanDerWaalsContact O-N 3.09Å; Q146-P382 HydrophobicContact CG-CG 3.78Å
147P86.7Confident84.6Confident26 Ų2631.4 Ų31.417%0.16918%0.18CC..THydrogen-bonded Turntrans-56.1131.8173.5-24.936000111.5E149 P248 D283 L379P147-E149 VanDerWaalsContact C-N 3.26Å; P147-E149 PolarHBondContact O-N 3.14Å; P147-P248 HydrophobicContact CB-CB 4.22Å; P147-P248 HydrophobicContact CB-CG 3.88Å; P147-D283 HydrophobicContact CB-CB 4.22Å; P147-L379 HydrophobicContact CG-CB 4.47Å; P147-L379 VanDerWaalsContact CG-O 3.29Å; P147-L379 WeakPolarHBondContact CG-O 3.13Å
148G85.4Confident84.5Confident4 Ų429 Ų294%0.04116%0.163CC..THydrogen-bonded Turntrans78.27.8-179.600000114.6Q146 G245 L246Q146-G148 PolarHBondContact O-N 3.01Å; G148-G245 PolarHBondContact O-N 3.39Å; G148-L246 WeakPolarHBondContact CA-O 3.08Å; G148-L246 WeakPolarHBondContact O-CB 3.26Å; G148-L246 PolarHBondContact O-N 2.83Å
149E87.1Confident84.5Confident16 Ų1626.3 Ų26.38%0.07515%0.152CC..  trans-90.7143.3165.9-67.4-178.4164.500111.3G144 S145 Q146 P147 L242 I243G144-E149 PolarHBondContact N-O 2.74Å; S145-E149 PolarHBondContact N-OE2 3.25Å; S145-E149 PolarHBondContact OG-OE2 3.33Å; Q146-E149 VanDerWaalsContact CB-CD 3.47Å; Q146-E149 HydrophobicContact CB-CG 3.89Å; Q146-E149 HydrophobicContact CG-CG 4.47Å; Q146-E149 WeakPolarHBondContact CG-OE1 3.09Å; Q146-E149 PolarHBondContact N-OE2 2.89Å; Q146-E149 WeakPolarHBondContact O-CB 3.14Å; Q146-E149 PolarHBondContact O-N 3.06Å; Q146-E149 VanDerWaalsContact O-N 3.09Å; P147-E149 VanDerWaalsContact C-N 3.26Å; P147-E149 PolarHBondContact O-N 3.14Å; E149-L242 HydrophobicContact CB-CD1 4.16Å; E149-I243 CarbonylContact C-O 3.44Å; E149-I243 VanDerWaalsContact CA-O 3.28Å; E149-I243 WeakPolarHBondContact CA-O 3.34Å
150L86.6Confident84.4Confident0 Ų031.4 Ų31.40%018%0.175CC..EExtended strand (participates in β ladder)trans-126.8120.7174.7168.160.3000108.7A141 M142 I152 I243 L246 L254 V278 L280A141-L150 HydrophobicContact CB-CD1 4.25Å; M142-L150 WeakPolarHBondContact O-CD1 3.43Å; L150-I152 HydrophobicContact CD1-CG2 4.27Å; L150-I152 HydrophobicContact CD2-CG2 4.38Å; L150-I152 HydrophobicContact CG-CG2 4.08Å; L150-I243 HydrophobicContact CB-CB 4.34Å; L150-I243 HydrophobicContact CD2-CD1 3.98Å; L150-I243 HydrophobicContact CG-CD1 4.24Å; L150-I243 PolarHBondContact N-O 2.77Å; L150-I243 PolarHBondContact O-N 3.29Å; L150-L246 HydrophobicContact CB-CD1 3.55Å; L150-L246 HydrophobicContact CD2-CD1 3.88Å; L150-L246 HydrophobicContact CG-CD1 4.38Å; L150-L254 HydrophobicContact CD2-CD2 3.9Å; L150-V278 HydrophobicContact CD1-CB 4.32Å; L150-V278 HydrophobicContact CD1-CG1 3.72Å; L150-V278 HydrophobicContact CD1-CG2 4.02Å; L150-V278 HydrophobicContact CD2-CG1 4.18Å; L150-L280 HydrophobicContact CB-CD2 4.32Å; L150-L280 HydrophobicContact CD1-CD2 4.37Å
151Q85.7Confident84.1Confident13 Ų1327.8 Ų27.86%0.06116%0.16CC..EExtended strand (participates in β ladder)trans-97.5127.1172.5-174.8175-0.600109.7M142 C241 L242 P324M142-Q151 HydrophobicContact CG-CB 4.06Å; M142-Q151 PolarHBondContact N-O 3.46Å; M142-Q151 PolarHBondContact O-N 3.29Å; Q151-C241 WeakPolarHBondContact CA-O 3.47Å; Q151-L242 HydrophobicContact CB-CD1 4.18Å; Q151-P324 PolarHBondContact NE2-O 2.89Å; Q151-P324 VanDerWaalsContact NE2-O 3.15Å
152I85.7Confident83.9Confident1 Ų127.7 Ų27.71%0.00516%0.159CC..EExtended strand (participates in β ladder)trans-117.7142.4175.256.8165.3000110.8K140 A141 L150 W154 L169 I188 S240 C241 I243 L254 L256K140-I152 CarbonylContact O-C 3.57Å; K140-I152 VanDerWaalsContact O-CA 3.27Å; K140-I152 WeakPolarHBondContact O-CA 3.39Å; A141-I152 HydrophobicContact CB-CG2 4.28Å; L150-I152 HydrophobicContact CD1-CG2 4.27Å; L150-I152 HydrophobicContact CD2-CG2 4.38Å; L150-I152 HydrophobicContact CG-CG2 4.08Å; I152-W154 HydrophobicContact CD1-CE3 4.26Å; I152-W154 HydrophobicContact CD1-CZ3 3.81Å; I152-W154 HydrophobicContact CG1-CE3 4.41Å; I152-W154 HydrophobicContact CG1-CZ3 3.98Å; I152-L169 HydrophobicContact CD1-CD1 4.1Å; I152-L169 HydrophobicContact CD1-CD2 4.13Å; I152-I188 HydrophobicContact CD1-CD1 4.49Å; I152-S240 CarbonylContact O-C 3.54Å; I152-S240 WeakPolarHBondContact O-CA 3.39Å; I152-C241 HydrophobicContact CD1-CB 4.06Å; I152-C241 HydrophobicContact CG1-CB 3.8Å; I152-C241 WeakPolarHBondContact CG1-O 3.14Å; I152-C241 PolarHBondContact N-O 2.06Å; I152-C241 PolarHBondContact O-N 2.83Å; I152-I243 HydrophobicContact CD1-CD1 4.24Å; I152-I243 HydrophobicContact CG1-CD1 4.44Å; I152-I243 HydrophobicContact CG2-CD1 4.48Å; I152-L254 HydrophobicContact CG2-CD2 3.96Å; I152-L256 HydrophobicContact CD1-CD1 4.45Å
153S86.1Confident83.8Confident12 Ų1231.9 Ų31.98%0.08418%0.182CC..EExtended strand (participates in β ladder)trans-138.8148.2167.763.40000111.5I139 K140 G239 D326I139-S153 CarbonylContact C-O 3.3Å; I139-S153 WeakPolarHBondContact CA-O 3.45Å; K140-S153 PolarHBondContact N-O 3.27Å; K140-S153 PolarHBondContact O-N 2.82Å; S153-G239 VanDerWaalsContact CA-O 3.29Å; S153-G239 WeakPolarHBondContact CA-O 3.36Å; S153-D326 WeakPolarHBondContact CB-OD1 3.21Å; S153-D326 PolarHBondContact OG-OD1 2.83Å
154W86.7Confident84Confident14 Ų1434.4 Ų34.45%0.05319%0.185CC..EExtended strand (participates in β ladder)trans-148.5157.7-17564.591.9000111.4P136 I139 I152 Y167 I188 G238 G239 C241 L256P136-W154 HydrophobicContact CB-CB 4.21Å; P136-W154 HydrophobicContact CB-CG 4.23Å; I139-W154 HydrophobicContact CG1-CB 4.08Å; I152-W154 HydrophobicContact CD1-CE3 4.26Å; I152-W154 HydrophobicContact CD1-CZ3 3.81Å; I152-W154 HydrophobicContact CG1-CE3 4.41Å; I152-W154 HydrophobicContact CG1-CZ3 3.98Å; W154-Y167 AromaticContact CD1-CE1 3.95Å; W154-Y167 AromaticContact CZ2-CD2 3.86Å; W154-Y167 HydrophobicContact CZ2-CD2 3.86Å; W154-Y167 HydrophobicContact CZ2-CE2 4.32Å; W154-Y167 HydrophobicContact CZ2-CG 4.03Å; W154-Y167 AromaticContact NE1-CD1 3.6Å; W154-Y167 AromaticContact NE1-CD2 3.87Å; W154-Y167 AromaticContact NE1-CE1 3.38Å; W154-Y167 AromaticContact NE1-CE2 3.7Å; W154-Y167 AromaticContact NE1-CG 3.83Å; W154-Y167 AromaticContact NE1-CZ 3.45Å; W154-I188 HydrophobicContact CH2-CD1 3.73Å; W154-I188 HydrophobicContact CH2-CG2 3.9Å; W154-I188 HydrophobicContact CZ2-CD1 4.11Å; W154-I188 HydrophobicContact CZ2-CG2 4.33Å; W154-I188 HydrophobicContact CZ3-CD1 4.2Å; W154-G238 CarbonylContact O-C 3.57Å; W154-G238 WeakPolarHBondContact O-CA 3.42Å; W154-G239 PolarHBondContact N-O 3.33Å; W154-G239 PolarHBondContact O-N 3.33Å; W154-C241 HydrophobicContact CH2-CB 4.12Å; W154-C241 HydrophobicContact CZ3-CB 3.97Å; W154-L256 HydrophobicContact CB-CD2 4.31Å; W154-L256 HydrophobicContact CD2-CD2 3.54Å; W154-L256 HydrophobicContact CE3-CD2 3.66Å; W154-L256 HydrophobicContact CG-CD2 3.84Å; W154-L256 HydrophobicContact CZ3-CD2 4.22Å
155E86.9Confident84.3Confident55 Ų5534.4 Ų34.426%0.25718%0.182SC..EExtended strand (participates in β ladder)trans-99.5136171.7-170.8165.4-16500110.3S137 I138 A236S137-E155 PolarHBondContact N-O 3.23Å; S137-E155 VanDerWaalsContact N-O 3.09Å; S137-E155 PolarHBondContact O-N 3.19Å; I138-E155 HydrophobicContact CB-CB 4.47Å; I138-E155 WeakPolarHBondContact CD1-OE2 3.06Å; E155-A236 HydrophobicContact CG-CB 4.45Å; E155-A236 WeakPolarHBondContact OE1-CB 3.21Å
156A85Confident84.7Confident5 Ų538.1 Ų38.14%0.04119%0.191CC..  trans-65.5142.1178.100000110A158 Y167 V237A156-A158 PolarHBondContact O-N 2.92Å; A156-Y167 WeakPolarHBondContact CB-OH 3.39Å; A156-V237 VanDerWaalsContact CB-O 3.28Å; A156-V237 WeakPolarHBondContact CB-O 3.49Å; A156-V237 PolarHBondContact N-O 3.13Å
157P82.4Confident84.8Confident35 Ų3535 Ų3523%0.22718%0.175CC..SBendtrans-64.3-29.5-179.628.1-37.5000113.2P133 A134 L165P133-P157 HydrophobicContact CB-CG 4.45Å; A134-P157 HydrophobicContact CB-CB 3.91Å; A134-P157 WeakPolarHBondContact O-CB 3.23Å; A134-P157 WeakPolarHBondContact O-CG 3.39Å; P157-L165 HydrophobicContact CG-CD1 3.88Å
158A82.3Confident85Confident2 Ų234.8 Ų34.82%0.01717%0.172CC..SBendtrans-138.599.1178.600000107.6T44 A156 E160 I161 S162T44-A158 HydrophobicContact CG2-CB 4.17Å; A156-A158 PolarHBondContact O-N 2.92Å; A158-E160 PolarHBondContact O-N 3.03Å; A158-I161 HydrophobicContact CB-CD1 3.7Å; A158-I161 HydrophobicContact CB-CG1 3.57Å; A158-I161 WeakPolarHBondContact O-CG1 3.31Å; A158-I161 PolarHBondContact O-N 2.8Å; A158-S162 PolarHBondContact O-N 3.16Å
159P79.9Confident85.1Confident46 Ų4634.7 Ų34.730%0.29917%0.171SC..G310 helixtrans-63.5-29.3-172.323.2-31.9000112.9I161 S162 V237P159-I161 VanDerWaalsContact C-N 3.27Å; P159-I161 PolarHBondContact O-N 2.93Å; P159-S162 WeakPolarHBondContact O-CB 3.4Å; P159-S162 PolarHBondContact O-N 3.33Å; P159-S162 PolarHBondContact O-OG 3.36Å; P159-V237 HydrophobicContact CB-CB 3.86Å; P159-V237 HydrophobicContact CB-CG2 3.86Å
160E82.3Confident85.2Confident132 Ų13236.7 Ų36.762%0.61718%0.177SC*.G310 helixtrans-63.6-30.6-178.7-60.975-160.100113A158A158-E160 PolarHBondContact O-N 3.03Å
161I81.3Confident85.3Confident17 Ų1738 Ų389%0.08718%0.183CC..G310 helixtrans-112.58.2-178.363.3172.9000112.6F45 A158 P159 D163 F164 L165 L265F45-I161 HydrophobicContact CD2-CD1 3.48Å; F45-I161 VanDerWaalsContact CD2-CD1 3.48Å; F45-I161 HydrophobicContact CD2-CG2 4.49Å; F45-I161 HydrophobicContact CE2-CD1 3.83Å; A158-I161 HydrophobicContact CB-CD1 3.7Å; A158-I161 HydrophobicContact CB-CG1 3.57Å; A158-I161 WeakPolarHBondContact O-CG1 3.31Å; A158-I161 PolarHBondContact O-N 2.8Å; P159-I161 VanDerWaalsContact C-N 3.27Å; P159-I161 PolarHBondContact O-N 2.93Å; I161-D163 PolarHBondContact O-N 2.83Å; I161-D163 VanDerWaalsContact O-N 3.1Å; I161-F164 HydrophobicContact CB-CD2 4.26Å; I161-F164 WeakPolarHBondContact O-CA 3.43Å; I161-F164 PolarHBondContact O-N 2.84Å; I161-L165 HydrophobicContact CD1-CD1 4.49Å; I161-L165 HydrophobicContact CD1-CD2 4.31Å; I161-L165 HydrophobicContact CG1-CD1 4.32Å; I161-L165 HydrophobicContact CG1-CG 4.41Å; I161-L265 HydrophobicContact CB-CD1 4.16Å; I161-L265 HydrophobicContact CG2-CD1 4.12Å
162S81.4Confident85.3Confident15 Ų1537.5 Ų37.511%0.10518%0.181CC..G310 helixtrans-56.3-31.3-171.556.70000113.8A158 P159 F164 L165 V237A158-S162 PolarHBondContact O-N 3.16Å; P159-S162 WeakPolarHBondContact O-CB 3.4Å; P159-S162 PolarHBondContact O-N 3.33Å; P159-S162 PolarHBondContact O-OG 3.36Å; S162-F164 PolarHBondContact O-N 2.99Å; S162-L165 PolarHBondContact O-N 2.94Å; S162-V237 WeakPolarHBondContact OG-CG1 3.4Å
163D82.5Confident85.4Confident114 Ų11438.7 Ų38.761%0.6119%0.188SC*.G310 helixtrans-68.3-21.4176.6-67.6-21.8000113.2I161 Q198I161-D163 PolarHBondContact O-N 2.83Å; I161-D163 VanDerWaalsContact O-N 3.1Å; D163-Q198 PolarHBondContact OD1-NE2 3.32Å; D163-Q198 PolarHBondContact OD2-NE2 3.09Å
164F86.4Confident85.2Confident79 Ų7942.8 Ų42.835%0.34621%0.205SC..G310 helixtrans-99.16.8178.2-51.4-66.7000112.8I161 S162 P260 D261 S264 L265I161-F164 HydrophobicContact CB-CD2 4.26Å; I161-F164 WeakPolarHBondContact O-CA 3.43Å; I161-F164 PolarHBondContact O-N 2.84Å; S162-F164 PolarHBondContact O-N 2.99Å; F164-P260 CarbonylContact O-C 3.57Å; F164-D261 WeakPolarHBondContact O-CB 3.05Å; F164-D261 PolarHBondContact O-N 3.27Å; F164-S264 VanDerWaalsContact CD1-CB 3.41Å; F164-S264 WeakPolarHBondContact CD1-OG 3.11Å; F164-S264 WeakPolarHBondContact CE1-OG 3.32Å; F164-L265 HydrophobicContact CB-CD1 3.79Å; F164-L265 HydrophobicContact CB-CG 4.29Å; F164-L265 HydrophobicContact CD2-CD1 4.01Å; F164-L265 HydrophobicContact CG-CD1 4.11Å
165L86.3Confident84.7Confident14 Ų1447.2 Ų47.27%0.07323%0.229CC..EExtended strand (participates in β ladder)trans-101.9135.7178.8-64-180000111.1P133 P157 I161 S162 Y167P133-L165 HydrophobicContact CB-CD2 4.21Å; P133-L165 HydrophobicContact CG-CD2 3.73Å; P157-L165 HydrophobicContact CG-CD1 3.88Å; I161-L165 HydrophobicContact CD1-CD1 4.49Å; I161-L165 HydrophobicContact CD1-CD2 4.31Å; I161-L165 HydrophobicContact CG1-CD1 4.32Å; I161-L165 HydrophobicContact CG1-CG 4.41Å; S162-L165 PolarHBondContact O-N 2.94Å; L165-Y167 HydrophobicContact CB-CE2 4.35Å
166R86.9Confident83.3Confident112 Ų11251.7 Ų51.742%0.42325%0.254SS..EExtended strand (participates in β ladder)trans-102.7150.9166.7-64.2-178.9-178.3155.38.3109.5S258 E259 D261R166-S258 CarbonylContact O-C 3.55Å; R166-S258 WeakPolarHBondContact O-CA 3.32Å; R166-E259 PolarHBondContact N-O 3.26Å; R166-E259 PolarHBondContact O-N 3.11Å; R166-D261 HydrophobicContact CG-CB 4.41Å; R166-D261 PolarHBondContact NH1-O 3.08Å; R166-D261 PolarHBondContact NH2-O 3.02Å
167Y87.9Confident81.9Confident24 Ų2461.2 Ų61.29%0.09430%0.295CS..EExtended strand (participates in β ladder)trans-120.7143.2-177.8-58.1-84000110.8P136 W154 A156 L165 I188 R257P136-Y167 HydrophobicContact CG-CD1 3.72Å; P136-Y167 HydrophobicContact CG-CE1 3.76Å; W154-Y167 AromaticContact CD1-CE1 3.95Å; W154-Y167 AromaticContact CZ2-CD2 3.86Å; W154-Y167 HydrophobicContact CZ2-CD2 3.86Å; W154-Y167 HydrophobicContact CZ2-CE2 4.32Å; W154-Y167 HydrophobicContact CZ2-CG 4.03Å; W154-Y167 AromaticContact NE1-CD1 3.6Å; W154-Y167 AromaticContact NE1-CD2 3.87Å; W154-Y167 AromaticContact NE1-CE1 3.38Å; W154-Y167 AromaticContact NE1-CE2 3.7Å; W154-Y167 AromaticContact NE1-CG 3.83Å; W154-Y167 AromaticContact NE1-CZ 3.45Å; A156-Y167 WeakPolarHBondContact CB-OH 3.39Å; L165-Y167 HydrophobicContact CB-CE2 4.35Å; Y167-I188 WeakPolarHBondContact O-CB 3.35Å; Y167-I188 PolarHBondContact O-N 3.38Å; Y167-R257 WeakPolarHBondContact CA-O 3.48Å
168E89.3Confident80.4Confident20 Ų2067.1 Ų67.19%0.09332%0.324CS..EExtended strand (participates in β ladder)trans-121.5133.3170.9-166.7-170.6-116.600109.2I185 Q186 L256 R257 W269 W272E168-I185 HydrophobicContact CG-CG2 3.82Å; E168-I185 WeakPolarHBondContact OE1-CG2 3.11Å; E168-Q186 WeakPolarHBondContact CG-O 3.21Å; E168-L256 WeakPolarHBondContact O-CA 3.37Å; E168-R257 HydrophobicContact CB-CG 4.04Å; E168-R257 PolarHBondContact N-O 2.87Å; E168-R257 PolarHBondContact O-N 2.93Å; E168-R257 IonicContact OE1-NH2 2.92Å; E168-R257 PolarHBondContact OE1-NH2 2.91Å; E168-R257 IonicContact OE2-CZ 3.25Å; E168-R257 IonicContact OE2-NE 3.72Å; E168-R257 PolarHBondContact OE2-NE 2.84Å; E168-R257 IonicContact OE2-NH2 3.95Å; E168-R257 PolarHBondContact OE2-NH2 2.8Å; E168-W269 HydrophobicContact CB-CE3 4.33Å; E168-W269 HydrophobicContact CB-CH2 3.62Å; E168-W269 HydrophobicContact CB-CZ2 4.43Å; E168-W269 HydrophobicContact CB-CZ3 3.55Å; E168-W272 HydrophobicContact CB-CH2 4.44Å; E168-W272 HydrophobicContact CG-CH2 4.2Å; E168-W272 WeakPolarHBondContact O-CZ3 3.35Å; E168-W272 WeakPolarHBondContact OE2-CH2 3.36Å; E168-W272 WeakPolarHBondContact OE2-CZ2 3.35Å
169L89.3Confident78.9Confident3 Ų368.8 Ų68.82%0.01634%0.336CS..EExtended strand (participates in β ladder)trans-105135.3177.9178.170.4000109.1I152 Y171 I185 Q186 I188 I243 L254 L256I152-L169 HydrophobicContact CD1-CD1 4.1Å; I152-L169 HydrophobicContact CD1-CD2 4.13Å; L169-Y171 HydrophobicContact CD2-CD1 3.71Å; L169-Y171 HydrophobicContact CD2-CE1 4.15Å; L169-Y171 HydrophobicContact CG-CD1 3.98Å; L169-I185 WeakPolarHBondContact O-CA 3.46Å; L169-Q186 PolarHBondContact N-O 2.96Å; L169-Q186 PolarHBondContact O-N 2.93Å; L169-I188 HydrophobicContact CB-CD1 4.07Å; L169-I188 HydrophobicContact CB-CG1 4Å; L169-I243 HydrophobicContact CD2-CD1 3.32Å; L169-I243 HydrophobicContact CD2-CG1 4.17Å; L169-L254 HydrophobicContact CD1-CB 4.21Å; L169-L256 HydrophobicContact CD1-CD1 3.41Å; L169-L256 VanDerWaalsContact CD1-CD1 3.41Å; L169-L256 HydrophobicContact CD1-CG 4.03Å
170R88.1Confident77.3Confident57 Ų5773.8 Ų73.822%0.21537%0.366CS..EExtended strand (participates in β ladder)trans-120.9137.616170.5-179.1-177.6-166.4-2.2110.2T183 V184 I185 W253 L254 Q255 W272R170-T183 HydrophobicContact CB-CG2 4.44Å; R170-V184 VanDerWaalsContact CA-O 3.28Å; R170-V184 WeakPolarHBondContact CA-O 3.26Å; R170-I185 HydrophobicContact CB-CG1 4.07Å; R170-W253 HydrophobicContact CG-CH2 4.08Å; R170-W253 HydrophobicContact CG-CZ3 3.83Å; R170-L254 CarbonylContact O-C 3.44Å; R170-L254 VanDerWaalsContact O-CA 3.26Å; R170-L254 WeakPolarHBondContact O-CA 3.48Å; R170-Q255 HydrophobicContact CG-CB 3.82Å; R170-Q255 PolarHBondContact N-O 2.97Å; R170-Q255 PolarHBondContact O-N 3.4Å; R170-W272 HydrophobicContact CB-CH2 3.7Å; R170-W272 HydrophobicContact CB-CZ2 4.38Å; R170-W272 HydrophobicContact CB-CZ3 3.85Å; R170-W272 HydrophobicContact CG-CD2 4.3Å; R170-W272 HydrophobicContact CG-CE3 3.77Å; R170-W272 HydrophobicContact CG-CH2 3.7Å; R170-W272 HydrophobicContact CG-CZ2 4.24Å; R170-W272 HydrophobicContact CG-CZ3 3.45Å; R170-W272 VanDerWaalsContact CG-CZ3 3.45Å; R170-W272 VanDerWaalsContact CZ-CD2 3.42Å; R170-W272 VanDerWaalsContact NH1-NE1 3.11Å; R170-W272 VanDerWaalsContact NH2-CG 3.34Å
171Y88.8Confident76Confident28 Ų2869.2 Ų69.211%0.1135%0.354CS..EExtended strand (participates in β ladder)trans-147.4158.6177.667-87.1000111.9L169 V184 L246 W253L169-Y171 HydrophobicContact CD2-CD1 3.71Å; L169-Y171 HydrophobicContact CD2-CE1 4.15Å; L169-Y171 HydrophobicContact CG-CD1 3.98Å; Y171-V184 HydrophobicContact CD1-CB 4.33Å; Y171-V184 HydrophobicContact CE1-CB 3.83Å; Y171-V184 HydrophobicContact CE1-CG1 3.82Å; Y171-V184 HydrophobicContact CE2-CB 4.08Å; Y171-V184 HydrophobicContact CE2-CG2 4.23Å; Y171-V184 PolarHBondContact N-O 2.87Å; Y171-V184 PolarHBondContact O-N 3.27Å; Y171-L246 HydrophobicContact CD2-CD2 4.14Å; Y171-L246 HydrophobicContact CE2-CD2 3.48Å; Y171-L246 VanDerWaalsContact CE2-CD2 3.48Å; Y171-W253 CarbonylContact C-O 3.48Å; Y171-W253 WeakPolarHBondContact CA-O 3.2Å; Y171-W253 WeakPolarHBondContact CB-O 3.21Å
172G86.3Confident75.1Confident2 Ų273.4 Ų73.42%0.02138%0.382CS..EExtended strand (participates in β ladder)trans-164.9167.4177.300000112.3Y252 W253G172-Y252 CarbonylContact O-C 3.58Å; G172-Y252 VanDerWaalsContact O-CA 3.26Å; G172-Y252 WeakPolarHBondContact O-CA 3.28Å; G172-W253 PolarHBondContact N-O 2.81Å; G172-W253 PolarHBondContact O-N 2.8Å
173P86.9Confident74.8Confident26 Ų2676.3 Ų76.317%0.16940%0.4CS..EExtended strand (participates in β ladder)trans-65.9143.617522.9-27.8000110.8S179 Y252 W253P173-S179 WeakPolarHBondContact CG-OG 3.35Å; P173-Y252 HydrophobicContact CB-CE1 4.48Å; P173-W253 PolarHBondContact O-NE1 3.43Å
174K83.3Confident74.6Confident98 Ų9873.5 Ų73.543%0.42639%0.387SS..SBendtrans-69.2-40.1-178.3-171.9178.8178-179.70112.2L176 S251 T277K174-L176 PolarHBondContact O-N 2.84Å; K174-S251 WeakPolarHBondContact CB-O 3.18Å; K174-S251 PolarHBondContact N-O 2.99Å; K174-T277 HydrophobicContact CD-CG2 4.44Å
175D74.9Confident74.2Confident107 Ų10774.6 Ų74.657%0.57240%0.395SS*.  trans-89.391-176.7-69.4-34.1000112.2K177 N178 S179D175-K177 PolarHBondContact O-N 3.49Å; D175-K177 VanDerWaalsContact O-N 3.1Å; D175-N178 PolarHBondContact O-N 2.93Å; D175-S179 PolarHBondContact O-N 3.43Å
176L58.3Low73.9Confident149 Ų14977.7 Ų77.778%0.7841%0.409SS*.THydrogen-bonded Turntrans-61.5-18.1178.1-133.784.7000113.9K174K174-L176 PolarHBondContact O-N 2.84Å
177K55.9Low73.3Confident206 Ų20677.2 Ų77.290%0.89642%0.415SS*.THydrogen-bonded Turntrans-82.4-28.7-175.6-79.9-175176.7-179.90114.4D175D175-K177 PolarHBondContact O-N 3.49Å; D175-K177 VanDerWaalsContact O-N 3.1Å
178N51.1Low72.7Confident158 Ų15877.6 Ų77.685%0.84542%0.418SS*.THydrogen-bonded Turntrans-109.2-10.3-178.7-78.9-5.8000113.1D175D175-N178 PolarHBondContact O-N 2.93Å
179S49.8Very low71.3Confident38 Ų3879 Ų7927%0.26643%0.433SS..  trans-120.9112-178.4141.40000110.4P173 D175 G181P173-S179 WeakPolarHBondContact CG-OG 3.35Å; D175-S179 PolarHBondContact O-N 3.43Å; S179-G181 PolarHBondContact O-N 2.87Å; S179-G181 VanDerWaalsContact O-N 3.14Å; S179-G181 PolarHBondContact OG-N 3.45Å
180T47.4Very low69.7Low151 Ų15185 Ų8593%0.92647%0.47SS*.  trans-78.132.9160.3-27.50000110.8
181G54.1Low67.8Low36 Ų3691.3 Ų91.337%0.37150%0.502SS..PPolyproline II helixtrans-73.1127.2-178.900000110.5S179S179-G181 PolarHBondContact O-N 2.87Å; S179-G181 VanDerWaalsContact O-N 3.14Å; S179-G181 PolarHBondContact OG-N 3.45Å
182P62.4Low65.9Low104 Ų10493.6 Ų93.668%0.67552%0.519SS*.PPolyproline II helixtrans-62.3140.6172.626.5-32.5000109.9V184P182-V184 PolarHBondContact O-N 3.1Å
183T74.1Confident64.7Low76 Ų7694.3 Ų94.347%0.46652%0.523SS..PPolyproline II helixtrans-63.2118.8164.3-56.60000107.6R170 W253R170-T183 HydrophobicContact CB-CG2 4.44Å; T183-W253 HydrophobicContact CG2-CH2 3.78Å; T183-W253 HydrophobicContact CG2-CZ2 3.81Å
184V78.4Confident63.4Low55 Ų5594.3 Ų94.333%0.33352%0.523SS..EExtended strand (participates in β ladder)trans-87.3129.9177.6-177.50000107.5R170 Y171 P182R170-V184 VanDerWaalsContact CA-O 3.28Å; R170-V184 WeakPolarHBondContact CA-O 3.26Å; Y171-V184 HydrophobicContact CD1-CB 4.33Å; Y171-V184 HydrophobicContact CE1-CB 3.83Å; Y171-V184 HydrophobicContact CE1-CG1 3.82Å; Y171-V184 HydrophobicContact CE2-CB 4.08Å; Y171-V184 HydrophobicContact CE2-CG2 4.23Å; Y171-V184 PolarHBondContact N-O 2.87Å; Y171-V184 PolarHBondContact O-N 3.27Å; P182-V184 PolarHBondContact O-N 3.1Å
185I79.4Confident61.7Low102 Ų10295.2 Ų95.252%0.52354%0.539SS..EExtended strand (participates in β ladder)trans-115.6125.7172.4-59.6171.1000106.4E168 L169 R170E168-I185 HydrophobicContact CG-CG2 3.82Å; E168-I185 WeakPolarHBondContact OE1-CG2 3.11Å; L169-I185 WeakPolarHBondContact O-CA 3.46Å; R170-I185 HydrophobicContact CB-CG1 4.07Å
186Q78.8Confident60.4Low80 Ų8092.2 Ų92.237%0.37453%0.529SS..EExtended strand (participates in β ladder)trans-139.1129.5-174.6-174.317713.100110.2E168 L169E168-Q186 WeakPolarHBondContact CG-O 3.21Å; L169-Q186 PolarHBondContact N-O 2.96Å; L169-Q186 PolarHBondContact O-N 2.93Å
187L75.8Confident59.6Low102 Ų10292 Ų9253%0.53453%0.529SS..EExtended strand (participates in β ladder)trans-69.5129.5165-88133.6000109.4A189 W269L187-A189 PolarHBondContact O-N 3.5Å; L187-W269 HydrophobicContact CD2-CH2 3.99Å; L187-W269 HydrophobicContact CD2-CZ2 4.16Å
188I73.9Confident58.8Low31 Ų3188.5 Ų88.516%0.15952%0.515CS..  trans-7498.2179.6-61.9-167.1000107.5I152 W154 Y167 L169 C193 L256I152-I188 HydrophobicContact CD1-CD1 4.49Å; W154-I188 HydrophobicContact CH2-CD1 3.73Å; W154-I188 HydrophobicContact CH2-CG2 3.9Å; W154-I188 HydrophobicContact CZ2-CD1 4.11Å; W154-I188 HydrophobicContact CZ2-CG2 4.33Å; W154-I188 HydrophobicContact CZ3-CD1 4.2Å; Y167-I188 WeakPolarHBondContact O-CB 3.35Å; Y167-I188 PolarHBondContact O-N 3.38Å; L169-I188 HydrophobicContact CB-CD1 4.07Å; L169-I188 HydrophobicContact CB-CG1 4Å; I188-C193 HydrophobicContact CG2-CB 4.15Å; I188-C193 WeakPolarHBondContact CG2-SG 3.31Å; I188-L256 HydrophobicContact CD1-CD2 4.04Å; I188-L256 HydrophobicContact CD1-CG 4.45Å
189A60.5Low57.7Low50 Ų5089.8 Ų89.841%0.41351%0.508SS..  trans-74.9137.5175.200000110.1L187 E191 T192 C193L187-A189 PolarHBondContact O-N 3.5Å; A189-E191 PolarHBondContact O-N 3.42Å; A189-E191 VanDerWaalsContact O-N 3.13Å; A189-T192 PolarHBondContact O-N 2.87Å; A189-T192 PolarHBondContact O-OG1 3.1Å; A189-C193 PolarHBondContact O-SG 3.31Å
190T54.6Low56.7Low129 Ų12993.2 Ų93.279%0.79153%0.53SS*.THydrogen-bonded Turntrans-58.2-24.4177.938.50000113.2
191E48.5Very low55.7Low190 Ų19094.5 Ų94.589%0.88853%0.525SS*.THydrogen-bonded Turntrans-74.6-26.7-179.8-57.3-162.1178.600113.9A189A189-E191 PolarHBondContact O-N 3.42Å; A189-E191 VanDerWaalsContact O-N 3.13Å
192T50Low54.3Low75 Ų7598.4 Ų98.446%0.4655%0.546SS..THydrogen-bonded Turntrans-93.1-5.7178.540.70000113.4A189 C241A189-T192 PolarHBondContact O-N 2.87Å; A189-T192 PolarHBondContact O-OG1 3.1Å; T192-C241 PolarHBondContact O-SG 3.38Å
193C61.4Low52.5Low17 Ų1797.8 Ų97.812%0.11555%0.55CS..EExtended strand (participates in β ladder)trans-127.1133.3-167.9-51.80000110.9I188 A189 P195 S240 C241I188-C193 HydrophobicContact CG2-CB 4.15Å; I188-C193 WeakPolarHBondContact CG2-SG 3.31Å; A189-C193 PolarHBondContact O-SG 3.31Å; C193-P195 WeakPolarHBondContact O-CD 3.5Å; C193-S240 CarbonylContact C-O 3.54Å; C193-S240 WeakPolarHBondContact CA-O 2.8Å; C193-S240 VanDerWaalsContact CB-O 3.31Å; C193-S240 WeakPolarHBondContact CB-O 3.26Å; C193-C241 HydrophobicContact CB-CB 3.7Å; C193-C241 WeakPolarHBondContact CB-SG 3.26Å; C193-C241 WeakPolarHBondContact SG-CB 3.43Å; C193-C241 CovalentContact SG-SG 2.06Å; C193-C241 PolarHBondContact SG-SG 2.94Å
194C58.1Low50.2Low26 Ų26100.1 Ų100.118%0.17657%0.57CS.*EExtended strand (participates in β ladder)trans-75.1116.7-179.7-75.80000109.5A196 S240 C322 C323C194-A196 PolarHBondContact O-N 3.32Å; C194-S240 VanDerWaalsContact CB-OG 3.24Å; C194-S240 WeakPolarHBondContact CB-OG 3.43Å; C194-S240 PolarHBondContact N-O 3.3Å; C194-S240 PolarHBondContact O-N 3.26Å; C194-S240 PolarHBondContact O-OG 3.34Å; C194-C322 PolarHBondContact SG-O 2.85Å; C194-C323 HydrophobicContact CB-CB 3.58Å; C194-C323 WeakPolarHBondContact CB-SG 3.5Å; C194-C323 WeakPolarHBondContact SG-CB 3.44Å; C194-C323 CovalentContact SG-SG 2Å; C194-C323 PolarHBondContact SG-SG 3.32Å
195P48.3Very low47.9Very low117 Ų117102 Ų10276%0.7659%0.59SS**EExtended strand (participates in β ladder)trans-59.6128.4170.624.5-30.8000108C193 L197C193-P195 WeakPolarHBondContact O-CD 3.5Å; P195-L197 PolarHBondContact O-N 3.33Å
196A48Very low45.4Very low44 Ų44105.1 Ų105.136%0.36461%0.608SS.*PPolyproline II helixtrans-59138170.400000108C194 Q198 G238C194-A196 PolarHBondContact O-N 3.32Å; A196-Q198 PolarHBondContact O-N 3.3Å; A196-G238 WeakPolarHBondContact CB-O 3.28Å
197L41.7Very low42.9Very low146 Ų146108.4 Ų108.476%0.76463%0.627SS**  trans-51.798.6-177.8-108.6115.6000111.2P195 R199P195-L197 PolarHBondContact O-N 3.33Å; L197-R199 PolarHBondContact O-N 3.01Å
198Q38.1Very low40.5Very low131 Ų131112.2 Ų112.261%0.61264%0.643SS**  trans-63.5120.3149.3-77.5-179.8-5.400105.8D163 A196 P200D163-Q198 PolarHBondContact OD1-NE2 3.32Å; D163-Q198 PolarHBondContact OD2-NE2 3.09Å; A196-Q198 PolarHBondContact O-N 3.3Å; Q198-P200 VanDerWaalsContact O-CD 3.3Å; Q198-P200 WeakPolarHBondContact O-CD 3.14Å
199R27.8Very low38Very low185 Ų185116 Ų11670%0.69867%0.672SS**  trans-61.2120.7178-162.7-176.5-76.3158.7-4.7107L197 H201L197-R199 PolarHBondContact O-N 3.01Å; R199-H201 PolarHBondContact O-N 3.11Å
200P29.6Very low36.4Very low111 Ų111119.7 Ų119.772%0.72169%0.691SS**  trans-68.9111.1177.6-13.427.1000108.2Q198Q198-P200 VanDerWaalsContact O-CD 3.3Å; Q198-P200 WeakPolarHBondContact O-CD 3.14Å
201H26.2Very low34.9Very low178 Ų178120 Ų12082%0.82470%0.697SS**  trans-66.2127.9147.2-80.2-75.9000107.3R199 A203R199-H201 PolarHBondContact O-N 3.11Å; H201-A203 PolarHBondContact O-N 2.93Å
202S25.3Very low33.7Very low117 Ų117115.5 Ų115.582%0.81869%0.693SS**SBendtrans-19.4117.2177.3-52.80000117.7
203A24.4Very low32.5Very low91 Ų91120.9 Ų120.975%0.75271%0.713SS**  trans58.5117.8143.500000120H201H201-A203 PolarHBondContact O-N 2.93Å
204S25.3Very low30.8Very low126 Ų126125.8 Ų125.888%0.88175%0.745SS**  -148.2124.5113-79.80000109.7
205A29.4Very low29.1Very low93 Ų93130.4 Ų130.477%0.76977%0.772SS**  trans-77.4131.2175.900000110.1
206L27Very low28Very low169 Ų169131.4 Ų131.489%0.88578%0.776SS**  trans169.3113.9159.7-91.2142.1000102.6
207D26.1Very low26.9Very low148 Ų148133.8 Ų133.879%0.79179%0.788SS**  cis-160.2163.344.9-155.4-4.7000110.6
208Q25.6Very low25.9Very low183 Ų183138.4 Ų138.486%0.85580%0.795SS**  trans-83.1154.7-154.7-62.5170.2-11.100115.7
209S23Very low25.2Very low111 Ų111140.5 Ų140.578%0.77681%0.805SS**  trans-117.4144.8150.156.60000109.5
210P26.4Very low25Very low126 Ų126139.7 Ų139.782%0.81881%0.814SS**  trans-95.7113.7-167.333.8-27.9000111.7
211C23.1Very low24.6Very low135 Ų135137.9 Ų137.991%0.91282%0.816SS**  trans-140.499.4151-88.50000107.9
212A22.6Very low24.7Very low97 Ų97134.6 Ų134.680%0.80281%0.81SS**  trans-72137.3171.700000110.3
213Q25.1Very low24.6Very low187 Ų187138.4 Ų138.487%0.87481%0.812SS**  trans-175.2158.3131.9-101-175.30.200111
214P25.8Very low24.6Very low121 Ų121143.1 Ų143.179%0.78682%0.819SS**  -101.4155.2-128.510.99.1000116.2
215T22.1Very low24.4Very low122 Ų122144 Ų14475%0.74882%0.819SS**  trans-44.9137.6172.7-40.40000116.6
216V24.7Very low24Very low139 Ų139145.1 Ų145.184%0.84282%0.821SS**  trans-142.7134.8131.5-160.90000109.1
217P25.3Very low23.9Very low94 Ų94142.6 Ų142.661%0.6182%0.815SS**  trans-107.7144.6-166.232.9-20000114.2
218W22Very low23.8Very low243 Ų243141.4 Ų141.492%0.9281%0.813SS**  trans-137108.5156.9-86.892.2000112.3
219Q22.7Very low23.6Very low174 Ų174144.2 Ų144.281%0.81382%0.816SS**  trans3.4142.6160.6-69.7-179.8-33.800124.6
220D23.1Very low23.9Very low168 Ų168147.3 Ų147.390%0.89882%0.818SS**  trans-52.8156.2170.4-78.5-56.3000118.3
221G22.1Very low23.6Very low73 Ų73145.6 Ų145.675%0.75382%0.815SS**  trans-163.7118.2153.500000111.6
222P27.5Very low23.7Very low109 Ų109145.3 Ų145.371%0.70881%0.814SS**  trans-108172.5-167.239.4-33.5000115.6
223K23.2Very low23.7Very low197 Ų197143.8 Ų143.886%0.85780%0.801SS**  trans93.8130.7165.1-57.9175.8179.7179.70113.5
224Q24.2Very low23.8Very low191 Ų191143.5 Ų143.589%0.89381%0.805SS**  -165.7130.560-157.7162.612.700111.2
225T22.2Very low24Very low145 Ų145142.3 Ų142.389%0.8980%0.796SS**  trans-80140.8170.435.20000111.7
226S21.2Very low24.6Very low116 Ų116139.8 Ų139.881%0.81179%0.787SS**  trans-142.5155.9157.564.50000110.5
227P24.8Very low26.3Very low115 Ų115135.3 Ų135.375%0.74776%0.76SS**  trans-101.6155.5-147.737.4-32.1000115.1
228T22.6Very low28.2Very low123 Ų123131.8 Ų131.876%0.75574%0.741SS**  trans47.4110.6143.4-39.60000119.1
229R22.6Very low30.8Very low242 Ų242120.9 Ų120.991%0.91370%0.704SS**  trans-132.5113.3138.8-159.7172.9-174.9171.21108.7A231R229-A231 PolarHBondContact O-N 3.16Å
230E28.3Very low33.4Very low176 Ų176113.4 Ų113.482%0.82267%0.671SS**  trans-49.4121.8169.9-75.3160.9140.300110
231A21.2Very low36.1Very low91 Ų91105.9 Ų105.975%0.75263%0.631SS**  trans-127.396.9156.800000105.7R229 A233R229-A231 PolarHBondContact O-N 3.16Å; A231-A233 PolarHBondContact O-N 2.86Å
232S25.5Very low39Very low128 Ų128105.6 Ų105.690%0.89561%0.612SS**  trans-55.1102168.3-51.30000108.6
233A22.6Very low41.6Very low65 Ų65101 Ų10154%0.53758%0.581SS.*  trans-111.6100.1166.500000106.4A231 T235A231-A233 PolarHBondContact O-N 2.86Å; A233-T235 PolarHBondContact O-N 2.53Å; A233-T235 PolarHBondContact O-OG1 2.88Å
234L26.1Very low44.6Very low181 Ų18195.1 Ų95.195%0.94857%0.565SS**  trans-42.8115165.1-78.5146000108.1A236L234-A236 PolarHBondContact O-N 2.87Å
235T29.9Very low47.3Very low97 Ų9789.9 Ų89.960%0.59556%0.562SS**  trans-88.899.4-174.5-24.60000105.7A233 V237A233-T235 PolarHBondContact O-N 2.53Å; A233-T235 PolarHBondContact O-OG1 2.88Å; T235-V237 WeakPolarHBondContact O-CG2 3.39Å; T235-V237 PolarHBondContact O-N 3.18Å; T235-V237 VanDerWaalsContact O-N 3.08Å
236A35.2Very low50.4Low68 Ų6883.7 Ų83.756%0.56252%0.523SS*.  trans-62.2111.4172.200000108E155 L234E155-A236 HydrophobicContact CG-CB 4.45Å; E155-A236 WeakPolarHBondContact OE1-CB 3.21Å; L234-A236 PolarHBondContact O-N 2.87Å
237V59.6Low53.6Low46 Ų4684.4 Ų84.428%0.27951%0.514SS..  trans-93.4116.8177.9-1680000107.3A156 P159 S162 T235A156-V237 VanDerWaalsContact CB-O 3.28Å; A156-V237 WeakPolarHBondContact CB-O 3.49Å; A156-V237 PolarHBondContact N-O 3.13Å; P159-V237 HydrophobicContact CB-CB 3.86Å; P159-V237 HydrophobicContact CB-CG2 3.86Å; S162-V237 WeakPolarHBondContact OG-CG1 3.4Å; T235-V237 WeakPolarHBondContact O-CG2 3.39Å; T235-V237 PolarHBondContact O-N 3.18Å; T235-V237 VanDerWaalsContact O-N 3.08Å
238G65.6Low56.7Low20 Ų2081.2 Ų81.221%0.20649%0.493CS..EExtended strand (participates in β ladder)trans-151.9176.5-168.800000112.7W154 A196W154-G238 CarbonylContact O-C 3.57Å; W154-G238 WeakPolarHBondContact O-CA 3.42Å; A196-G238 WeakPolarHBondContact CB-O 3.28Å
239G76.2Confident59.8Low14 Ų1477.5 Ų77.514%0.14448%0.479CS..EExtended strand (participates in β ladder)trans-118157.5177.400000111.9S153 W154S153-G239 VanDerWaalsContact CA-O 3.29Å; S153-G239 WeakPolarHBondContact CA-O 3.36Å; W154-G239 PolarHBondContact N-O 3.33Å; W154-G239 PolarHBondContact O-N 3.33Å
240S78.8Confident63Low17 Ų1769.1 Ų69.112%0.11945%0.452CS..EExtended strand (participates in β ladder)trans-137.8140.3169.6640000110.7I152 C193 C194I152-S240 CarbonylContact O-C 3.54Å; I152-S240 WeakPolarHBondContact O-CA 3.39Å; C193-S240 CarbonylContact C-O 3.54Å; C193-S240 WeakPolarHBondContact CA-O 2.8Å; C193-S240 VanDerWaalsContact CB-O 3.31Å; C193-S240 WeakPolarHBondContact CB-O 3.26Å; C194-S240 VanDerWaalsContact CB-OG 3.24Å; C194-S240 WeakPolarHBondContact CB-OG 3.43Å; C194-S240 PolarHBondContact N-O 3.3Å; C194-S240 PolarHBondContact O-N 3.26Å; C194-S240 PolarHBondContact O-OG 3.34Å
241C79.9Confident65.9Low10 Ų1062.2 Ų62.27%0.06842%0.423CS..EExtended strand (participates in β ladder)trans-140149.3-177.9-154.90000112.5Q151 I152 W154 T192 C193Q151-C241 WeakPolarHBondContact CA-O 3.47Å; I152-C241 HydrophobicContact CD1-CB 4.06Å; I152-C241 HydrophobicContact CG1-CB 3.8Å; I152-C241 WeakPolarHBondContact CG1-O 3.14Å; I152-C241 PolarHBondContact N-O 2.06Å; I152-C241 PolarHBondContact O-N 2.83Å; W154-C241 HydrophobicContact CH2-CB 4.12Å; W154-C241 HydrophobicContact CZ3-CB 3.97Å; T192-C241 PolarHBondContact O-SG 3.38Å; C193-C241 HydrophobicContact CB-CB 3.7Å; C193-C241 WeakPolarHBondContact CB-SG 3.26Å; C193-C241 WeakPolarHBondContact SG-CB 3.43Å; C193-C241 CovalentContact SG-SG 2.06Å; C193-C241 PolarHBondContact SG-SG 2.94Å
242L82.3Confident69.1Low66 Ų6658.6 Ų58.635%0.34639%0.391SS..EExtended strand (participates in β ladder)trans-112.6126.4176-172.273.8000109.3E149 Q151E149-L242 HydrophobicContact CB-CD1 4.16Å; Q151-L242 HydrophobicContact CB-CD1 4.18Å
243I82.9Confident72.2Confident12 Ų1255.1 Ų55.16%0.06236%0.358CS..EExtended strand (participates in β ladder)trans-112.4124.4178.3-56154.7000107.2E149 L150 I152 L169 L246E149-I243 CarbonylContact C-O 3.44Å; E149-I243 VanDerWaalsContact CA-O 3.28Å; E149-I243 WeakPolarHBondContact CA-O 3.34Å; L150-I243 HydrophobicContact CB-CB 4.34Å; L150-I243 HydrophobicContact CD2-CD1 3.98Å; L150-I243 HydrophobicContact CG-CD1 4.24Å; L150-I243 PolarHBondContact N-O 2.77Å; L150-I243 PolarHBondContact O-N 3.29Å; I152-I243 HydrophobicContact CD1-CD1 4.24Å; I152-I243 HydrophobicContact CG1-CD1 4.44Å; I152-I243 HydrophobicContact CG2-CD1 4.48Å; L169-I243 HydrophobicContact CD2-CD1 3.32Å; L169-I243 HydrophobicContact CD2-CG1 4.17Å; I243-L246 HydrophobicContact CG2-CD1 4.33Å; I243-L246 HydrophobicContact CG2-CG 4.36Å
244S84.9Confident75.5Confident75 Ų7552.1 Ų52.152%0.52433%0.333SS..  trans-111.7161.6-179.3-53.70000111.2
245G82Confident78.6Confident80 Ų8044.7 Ų44.783%0.82529%0.293SS*.  trans85.215.3174.500000115G148G148-G245 PolarHBondContact O-N 3.39Å
246L86.4Confident81.5Confident16 Ų1640 Ų408%0.08427%0.265CS..PPolyproline II helixtrans-76.6153.4169.8-58.1174.7000109.9G148 L150 Y171 I243 P248 Y252 L280G148-L246 WeakPolarHBondContact CA-O 3.08Å; G148-L246 WeakPolarHBondContact O-CB 3.26Å; G148-L246 PolarHBondContact O-N 2.83Å; L150-L246 HydrophobicContact CB-CD1 3.55Å; L150-L246 HydrophobicContact CD2-CD1 3.88Å; L150-L246 HydrophobicContact CG-CD1 4.38Å; Y171-L246 HydrophobicContact CD2-CD2 4.14Å; Y171-L246 HydrophobicContact CE2-CD2 3.48Å; Y171-L246 VanDerWaalsContact CE2-CD2 3.48Å; I243-L246 HydrophobicContact CG2-CD1 4.33Å; I243-L246 HydrophobicContact CG2-CG 4.36Å; L246-P248 WeakPolarHBondContact O-CD 3.24Å; L246-Y252 HydrophobicContact CB-CE2 4.24Å; L246-Y252 HydrophobicContact CD2-CD1 4.44Å; L246-Y252 HydrophobicContact CD2-CE1 4.04Å; L246-L280 HydrophobicContact CB-CD1 3.77Å; L246-L280 HydrophobicContact CD1-CD1 3.83Å; L246-L280 HydrophobicContact CG-CD1 4.46Å
247Q88.6Confident84.2Confident131 Ų13138.9 Ų38.961%0.61225%0.246SC*.PPolyproline II helixtrans-71.1122.3173.5-65.5-173.7-21.100110N250 Y252Q247-N250 PolarHBondContact OE1-ND2 2.86Å; Q247-N250 VanDerWaalsContact OE1-ND2 3.11Å; Q247-Y252 WeakPolarHBondContact CB-OH 3.31Å; Q247-Y252 PolarHBondContact N-OH 2.87Å; Q247-Y252 PolarHBondContact O-OH 2.98Å
248P90.2Very high85.6Confident48 Ų4836.7 Ų36.731%0.31223%0.233SC..THydrogen-bonded Turntrans-61.9151.8174.6-18.530.7000112P147 L246 N250 P281 D283P147-P248 HydrophobicContact CB-CB 4.22Å; P147-P248 HydrophobicContact CB-CG 3.88Å; L246-P248 WeakPolarHBondContact O-CD 3.24Å; P248-N250 VanDerWaalsContact C-N 3.26Å; P248-N250 PolarHBondContact O-N 2.82Å; P248-P281 WeakPolarHBondContact CB-O 3.39Å; P248-D283 HydrophobicContact CB-CB 4.12Å; P248-D283 HydrophobicContact CG-CB 4.18Å
249G88.1Confident86.8Confident44 Ų4438 Ų3845%0.45423%0.233SC..THydrogen-bonded Turntrans79.50.1176.600000115.4L280 P281G249-L280 CarbonylContact C-O 3.53Å; G249-L280 WeakPolarHBondContact CA-O 3.12Å; G249-L280 PolarHBondContact N-O 2.98Å; G249-P281 PolarHBondContact N-O 2.89Å
250N88.3Confident87.5Confident66 Ų6637.5 Ų37.535%0.35323%0.227SC..  trans-105.7155.1179.7-72.4-20.2000111.8Q247 P248 Y252 L280Q247-N250 PolarHBondContact OE1-ND2 2.86Å; Q247-N250 VanDerWaalsContact OE1-ND2 3.11Å; P248-N250 VanDerWaalsContact C-N 3.26Å; P248-N250 PolarHBondContact O-N 2.82Å; N250-Y252 HydrophobicContact CB-CE2 3.74Å; N250-Y252 WeakPolarHBondContact O-CD2 3.07Å; N250-L280 WeakPolarHBondContact O-CB 3.36Å; N250-L280 PolarHBondContact O-N 2.96Å
251S89.8Confident87.8Confident31 Ų3137.7 Ų37.722%0.21723%0.227CC..EExtended strand (participates in β ladder)trans-93.6138.1173.9-540000111.6K174 V278 D279K174-S251 WeakPolarHBondContact CB-O 3.18Å; K174-S251 PolarHBondContact N-O 2.99Å; S251-V278 CarbonylContact C-O 3.5Å; S251-V278 WeakPolarHBondContact CA-O 2.99Å; S251-D279 WeakPolarHBondContact CB-OD1 3.45Å; S251-D279 PolarHBondContact OG-OD1 2.96Å
252Y89.2Confident88Confident16 Ų1640.1 Ų40.16%0.06325%0.254CS..EExtended strand (participates in β ladder)trans-125149.6178.7-64.2-96000111.1G172 P173 L246 Q247 N250 T277 V278 L280G172-Y252 CarbonylContact O-C 3.58Å; G172-Y252 VanDerWaalsContact O-CA 3.26Å; G172-Y252 WeakPolarHBondContact O-CA 3.28Å; P173-Y252 HydrophobicContact CB-CE1 4.48Å; L246-Y252 HydrophobicContact CB-CE2 4.24Å; L246-Y252 HydrophobicContact CD2-CD1 4.44Å; L246-Y252 HydrophobicContact CD2-CE1 4.04Å; Q247-Y252 WeakPolarHBondContact CB-OH 3.31Å; Q247-Y252 PolarHBondContact N-OH 2.87Å; Q247-Y252 PolarHBondContact O-OH 2.98Å; N250-Y252 HydrophobicContact CB-CE2 3.74Å; N250-Y252 WeakPolarHBondContact O-CD2 3.07Å; Y252-T277 CarbonylContact O-C 3.51Å; Y252-T277 VanDerWaalsContact O-CA 3.26Å; Y252-T277 WeakPolarHBondContact O-CA 3.39Å; Y252-V278 PolarHBondContact N-O 2.98Å; Y252-V278 PolarHBondContact O-N 2.65Å; Y252-L280 HydrophobicContact CD2-CD1 3.75Å; Y252-L280 HydrophobicContact CD2-CG 4.04Å; Y252-L280 HydrophobicContact CE2-CD1 3.59Å; Y252-L280 HydrophobicContact CE2-CG 4.22Å
253W90.8Very high88.2Confident55 Ų5543.4 Ų43.421%0.20827%0.27CS..EExtended strand (participates in β ladder)trans-107.7149.5166.369.4-92000109.7R170 Y171 G172 P173 T183 Q255 V276 T277R170-W253 HydrophobicContact CG-CH2 4.08Å; R170-W253 HydrophobicContact CG-CZ3 3.83Å; Y171-W253 CarbonylContact C-O 3.48Å; Y171-W253 WeakPolarHBondContact CA-O 3.2Å; Y171-W253 WeakPolarHBondContact CB-O 3.21Å; G172-W253 PolarHBondContact N-O 2.81Å; G172-W253 PolarHBondContact O-N 2.8Å; P173-W253 PolarHBondContact O-NE1 3.43Å; T183-W253 HydrophobicContact CG2-CH2 3.78Å; T183-W253 HydrophobicContact CG2-CZ2 3.81Å; W253-Q255 HydrophobicContact CE3-CG 4.38Å; W253-Q255 HydrophobicContact CZ3-CG 4.23Å; W253-Q255 VanDerWaalsContact CZ3-OE1 3.27Å; W253-V276 CarbonylContact C-O 3.57Å; W253-V276 VanDerWaalsContact CA-O 3.26Å; W253-V276 WeakPolarHBondContact CA-O 3.41Å; W253-T277 HydrophobicContact CB-CG2 4.21Å
254L91.1Very high88.3Confident1 Ų145.1 Ų45.11%0.00528%0.284CS..EExtended strand (participates in β ladder)trans-146150.8179.160.394.7000112.8I139 A141 L150 I152 L169 R170 L256 P275 V276 V278I139-L254 HydrophobicContact CG2-CD1 3.63Å; A141-L254 HydrophobicContact CB-CD2 3.68Å; L150-L254 HydrophobicContact CD2-CD2 3.9Å; I152-L254 HydrophobicContact CG2-CD2 3.96Å; L169-L254 HydrophobicContact CD1-CB 4.21Å; R170-L254 CarbonylContact O-C 3.44Å; R170-L254 VanDerWaalsContact O-CA 3.26Å; R170-L254 WeakPolarHBondContact O-CA 3.48Å; L254-L256 HydrophobicContact CD1-CD1 4.04Å; L254-P275 WeakPolarHBondContact O-CA 3.24Å; L254-V276 HydrophobicContact CD1-CB 3.95Å; L254-V276 HydrophobicContact CG-CB 4.22Å; L254-V276 PolarHBondContact N-O 3.09Å; L254-V276 PolarHBondContact O-N 3.35Å; L254-V278 HydrophobicContact CD2-CG1 4.34Å
255Q91.6Very high88.5Confident25 Ų2542 Ų4212%0.11726%0.261CS..EExtended strand (participates in β ladder)trans-141.9145.4174.8-70.2173.9-71.600109.9R170 W253 W272 S273 P275R170-Q255 HydrophobicContact CG-CB 3.82Å; R170-Q255 PolarHBondContact N-O 2.97Å; R170-Q255 PolarHBondContact O-N 3.4Å; W253-Q255 HydrophobicContact CE3-CG 4.38Å; W253-Q255 HydrophobicContact CZ3-CG 4.23Å; W253-Q255 VanDerWaalsContact CZ3-OE1 3.27Å; Q255-W272 HydrophobicContact CB-CE3 3.85Å; Q255-W272 WeakPolarHBondContact O-CZ3 3.34Å; Q255-S273 WeakPolarHBondContact CA-OG 3.49Å; Q255-S273 WeakPolarHBondContact CG-O 3.2Å; Q255-S273 PolarHBondContact NE2-O 2.81Å; Q255-P275 VanDerWaalsContact CG-CA 3.5Å; Q255-P275 HydrophobicContact CG-CB 3.91Å
256L90.9Very high88.9Confident0 Ų039.2 Ų39.20%023%0.232CC..EExtended strand (participates in β ladder)trans-116.4150.5175.3-81.576.9000110.2P136 I139 I152 W154 E168 L169 I188 L254 S273P136-L256 HydrophobicContact CB-CB 4.49Å; P136-L256 HydrophobicContact CG-CB 4.05Å; I139-L256 HydrophobicContact CD1-CB 4.16Å; I139-L256 HydrophobicContact CD1-CD1 4.19Å; I139-L256 HydrophobicContact CG2-CD1 4.18Å; I152-L256 HydrophobicContact CD1-CD1 4.45Å; W154-L256 HydrophobicContact CB-CD2 4.31Å; W154-L256 HydrophobicContact CD2-CD2 3.54Å; W154-L256 HydrophobicContact CE3-CD2 3.66Å; W154-L256 HydrophobicContact CG-CD2 3.84Å; W154-L256 HydrophobicContact CZ3-CD2 4.22Å; E168-L256 WeakPolarHBondContact O-CA 3.37Å; L169-L256 HydrophobicContact CD1-CD1 3.41Å; L169-L256 VanDerWaalsContact CD1-CD1 3.41Å; L169-L256 HydrophobicContact CD1-CG 4.03Å; I188-L256 HydrophobicContact CD1-CD2 4.04Å; I188-L256 HydrophobicContact CD1-CG 4.45Å; L254-L256 HydrophobicContact CD1-CD1 4.04Å; L256-S273 PolarHBondContact N-OG 2.82Å; L256-S273 VanDerWaalsContact O-CB 3.31Å; L256-S273 WeakPolarHBondContact O-CB 2.84Å; L256-S273 PolarHBondContact O-N 3.35Å; L256-S273 PolarHBondContact O-OG 3.07Å
257R90.5Very high89.1Confident44 Ų4440.2 Ų40.217%0.16625%0.246CC..EExtended strand (participates in β ladder)trans-137.9165.8164.363.1173.6177.7165.35.8109.9Y167 E168 W269 S271 W272Y167-R257 WeakPolarHBondContact CA-O 3.48Å; E168-R257 HydrophobicContact CB-CG 4.04Å; E168-R257 PolarHBondContact N-O 2.87Å; E168-R257 PolarHBondContact O-N 2.93Å; E168-R257 IonicContact OE1-NH2 2.92Å; E168-R257 PolarHBondContact OE1-NH2 2.91Å; E168-R257 IonicContact OE2-CZ 3.25Å; E168-R257 IonicContact OE2-NE 3.72Å; E168-R257 PolarHBondContact OE2-NE 2.84Å; E168-R257 IonicContact OE2-NH2 3.95Å; E168-R257 PolarHBondContact OE2-NH2 2.8Å; R257-W269 HydrophobicContact CB-CE3 4.47Å; R257-W269 HydrophobicContact CG-CE3 3.59Å; R257-W269 HydrophobicContact CG-CZ3 4.01Å; R257-W269 VanDerWaalsContact NH1-CB 3.34Å; R257-S271 WeakPolarHBondContact CB-O 3.29Å; R257-W272 HydrophobicContact CB-CD2 4.12Å; R257-W272 HydrophobicContact CB-CE3 3.9Å; R257-W272 HydrophobicContact CB-CZ3 4.23Å; R257-W272 VanDerWaalsContact CD-CE2 3.49Å; R257-W272 HydrophobicContact CG-CD2 3.99Å; R257-W272 HydrophobicContact CG-CE3 3.78Å; R257-W272 HydrophobicContact CG-CH2 3.79Å; R257-W272 HydrophobicContact CG-CZ2 3.99Å; R257-W272 HydrophobicContact CG-CZ3 3.67Å
258S90.1Very high89.1Confident0 Ų035.7 Ų35.70%023%0.229CC..EExtended strand (participates in β ladder)trans-126.1152-178.542.40000111.5A134 R166 G270A134-S258 PolarHBondContact O-OG 2.9Å; A134-S258 VanDerWaalsContact O-OG 3.08Å; R166-S258 CarbonylContact O-C 3.55Å; R166-S258 WeakPolarHBondContact O-CA 3.32Å; S258-G270 PolarHBondContact O-N 3.08Å
259E90.3Very high89.2Confident46 Ų4635.7 Ų35.722%0.21522%0.223CC..EExtended strand (participates in β ladder)trans-139.5146.9172.1-174.4179-133.200108.7R166 W269R166-E259 PolarHBondContact N-O 3.26Å; R166-E259 PolarHBondContact O-N 3.11Å; E259-W269 HydrophobicContact CB-CD2 3.63Å; E259-W269 HydrophobicContact CB-CE3 3.49Å; E259-W269 VanDerWaalsContact CB-CE3 3.49Å; E259-W269 HydrophobicContact CB-CG 4.24Å; E259-W269 HydrophobicContact CB-CH2 3.83Å; E259-W269 HydrophobicContact CB-CZ2 3.97Å; E259-W269 HydrophobicContact CB-CZ3 3.6Å; E259-W269 VanDerWaalsContact CD-CE2 3.5Å; E259-W269 VanDerWaalsContact CD-NE1 3.31Å; E259-W269 HydrophobicContact CG-CD2 4.23Å; E259-W269 HydrophobicContact CG-CG 4.44Å; E259-W269 PolarHBondContact OE1-NE1 3.37Å; E259-W269 WeakPolarHBondContact OE2-CZ2 3.14Å; E259-W269 PolarHBondContact OE2-NE1 3.15Å; E259-W269 VanDerWaalsContact OE2-NE1 3.09Å
260P90.4Very high89.2Confident4 Ų433.6 Ų33.63%0.02620%0.201CC..EExtended strand (participates in β ladder)trans-57.8149.5167.1-22.936.4000111.9F45 P133 F164 G262 L265F45-P260 HydrophobicContact CE2-CG 4.2Å; F45-P260 HydrophobicContact CZ-CB 4.17Å; F45-P260 HydrophobicContact CZ-CG 3.74Å; P133-P260 HydrophobicContact CG-CG 3.98Å; F164-P260 CarbonylContact O-C 3.57Å; P260-G262 PolarHBondContact O-N 2Å; P260-G262 VanDerWaalsContact O-N 3.08Å; P260-L265 HydrophobicContact CB-CB 3.99Å; P260-L265 WeakPolarHBondContact CB-O 3.28Å
261D85.3Confident89.3Confident21 Ų2131.3 Ų31.311%0.11219%0.191CC..  trans-62.7-16.8-176.166.9-1.7000114.9F164 R166 I263 S264 L265F164-D261 WeakPolarHBondContact O-CB 3.05Å; F164-D261 PolarHBondContact O-N 3.27Å; R166-D261 HydrophobicContact CG-CB 4.41Å; R166-D261 PolarHBondContact NH1-O 3.08Å; R166-D261 PolarHBondContact NH2-O 3.02Å; D261-I263 PolarHBondContact O-N 3.4Å; D261-I263 PolarHBondContact OD1-N 3.03Å; D261-S264 PolarHBondContact OD1-N 3.43Å; D261-S264 PolarHBondContact OD2-N 3.06Å; D261-S264 PolarHBondContact OD2-OG 2.8Å; D261-L265 PolarHBondContact OD1-N 3.24Å; D261-L265 VanDerWaalsContact OD1-N 3.1Å
262G85.4Confident89.3Confident61 Ų6132 Ų3263%0.62919%0.189SC*.SBendtrans70.75.8-175.300000113.7P260 L265P260-G262 PolarHBondContact O-N 2Å; P260-G262 VanDerWaalsContact O-N 3.08Å; G262-L265 VanDerWaalsContact CA-O 3.24Å; G262-L265 WeakPolarHBondContact CA-O 3.35Å; G262-L265 PolarHBondContact N-O 3.43Å
263I84.5Confident89.4Confident135 Ų13531.6 Ų31.669%0.69219%0.188SC*.SBendtrans-105.7-55.3178.8-55.9173.5000109D261D261-I263 PolarHBondContact O-N 3.4Å; D261-I263 PolarHBondContact OD1-N 3.03Å
264S85.9Confident89.3Confident49 Ų4936 Ų3634%0.34322%0.215SC..SBendtrans-96.9-39.7-179.4-46.30000110.5F164 D261F164-S264 VanDerWaalsContact CD1-CB 3.41Å; F164-S264 WeakPolarHBondContact CD1-OG 3.11Å; F164-S264 WeakPolarHBondContact CE1-OG 3.32Å; D261-S264 PolarHBondContact OD1-N 3.43Å; D261-S264 PolarHBondContact OD2-N 3.06Å; D261-S264 PolarHBondContact OD2-OG 2.8Å
265L90Very high89.2Confident10 Ų1039.9 Ų39.95%0.05224%0.24CC..SBendtrans-129.9132.1-179.6-62.7175.3000108.8F45 D128 I161 F164 P260 D261 G262F45-L265 HydrophobicContact CD1-CD1 4.5Å; F45-L265 HydrophobicContact CD1-CD2 3.88Å; F45-L265 HydrophobicContact CD2-CD1 3.73Å; F45-L265 HydrophobicContact CE1-CB 3.99Å; F45-L265 HydrophobicContact CE1-CD1 4.46Å; F45-L265 HydrophobicContact CE1-CD2 3.98Å; F45-L265 HydrophobicContact CE1-CG 4.36Å; F45-L265 HydrophobicContact CE2-CB 4.14Å; F45-L265 HydrophobicContact CE2-CD1 3.69Å; F45-L265 HydrophobicContact CE2-CG 4.37Å; F45-L265 HydrophobicContact CG-CD1 4.12Å; F45-L265 HydrophobicContact CG-CD2 4.14Å; F45-L265 HydrophobicContact CZ-CB 3.66Å; F45-L265 HydrophobicContact CZ-CD1 4.05Å; F45-L265 HydrophobicContact CZ-CD2 4.34Å; F45-L265 HydrophobicContact CZ-CG 4.22Å; D128-L265 HydrophobicContact CB-CD2 4.21Å; I161-L265 HydrophobicContact CB-CD1 4.16Å; I161-L265 HydrophobicContact CG2-CD1 4.12Å; F164-L265 HydrophobicContact CB-CD1 3.79Å; F164-L265 HydrophobicContact CB-CG 4.29Å; F164-L265 HydrophobicContact CD2-CD1 4.01Å; F164-L265 HydrophobicContact CG-CD1 4.11Å; P260-L265 HydrophobicContact CB-CB 3.99Å; P260-L265 WeakPolarHBondContact CB-O 3.28Å; D261-L265 PolarHBondContact OD1-N 3.24Å; D261-L265 VanDerWaalsContact OD1-N 3.1Å; G262-L265 VanDerWaalsContact CA-O 3.24Å; G262-L265 WeakPolarHBondContact CA-O 3.35Å; G262-L265 PolarHBondContact N-O 3.43Å
266G89.5Confident89.2Confident21 Ų2140.5 Ų40.522%0.21625%0.245CC..  trans-100.6159.5176.400000112.3D128 S129 G131D128-G266 WeakPolarHBondContact O-CA 3.27Å; D128-G266 PolarHBondContact O-N 3.34Å; S129-G266 CarbonylContact C-O 3.57Å; S129-G266 VanDerWaalsContact C-O 3.3Å; S129-G266 CarbonylContact O-C 3.51Å; G131-G266 PolarHBondContact N-O 2.83Å
267G90Very high89.2Confident36 Ų3644.2 Ų44.237%0.37127%0.268SS..BIsolated β-bridgetrans162.2-154.2177.900000112.5G131G131-G267 CarbonylContact O-C 3.51Å; G131-G267 WeakPolarHBondContact O-CA 3.36Å
268S90Very high89.2Confident36 Ų3642.6 Ų42.625%0.25226%0.263SS..  trans-132.8164.2-18058.20000111.2G131 L132 G270G131-S268 PolarHBondContact O-N 2.97Å; L132-S268 WeakPolarHBondContact CD1-OG 3.35Å; S268-G270 PolarHBondContact O-N 2.91Å
269W90.8Very high89.2Confident48 Ų4847.6 Ų47.618%0.18229%0.29CS..  trans-55.3126.2174.6-7395.7000112.4E168 L187 R257 E259E168-W269 HydrophobicContact CB-CE3 4.33Å; E168-W269 HydrophobicContact CB-CH2 3.62Å; E168-W269 HydrophobicContact CB-CZ2 4.43Å; E168-W269 HydrophobicContact CB-CZ3 3.55Å; L187-W269 HydrophobicContact CD2-CH2 3.99Å; L187-W269 HydrophobicContact CD2-CZ2 4.16Å; R257-W269 HydrophobicContact CB-CE3 4.47Å; R257-W269 HydrophobicContact CG-CE3 3.59Å; R257-W269 HydrophobicContact CG-CZ3 4.01Å; R257-W269 VanDerWaalsContact NH1-CB 3.34Å; E259-W269 HydrophobicContact CB-CD2 3.63Å; E259-W269 HydrophobicContact CB-CE3 3.49Å; E259-W269 VanDerWaalsContact CB-CE3 3.49Å; E259-W269 HydrophobicContact CB-CG 4.24Å; E259-W269 HydrophobicContact CB-CH2 3.83Å; E259-W269 HydrophobicContact CB-CZ2 3.97Å; E259-W269 HydrophobicContact CB-CZ3 3.6Å; E259-W269 VanDerWaalsContact CD-CE2 3.5Å; E259-W269 VanDerWaalsContact CD-NE1 3.31Å; E259-W269 HydrophobicContact CG-CD2 4.23Å; E259-W269 HydrophobicContact CG-CG 4.44Å; E259-W269 PolarHBondContact OE1-NE1 3.37Å; E259-W269 WeakPolarHBondContact OE2-CZ2 3.14Å; E259-W269 PolarHBondContact OE2-NE1 3.15Å; E259-W269 VanDerWaalsContact OE2-NE1 3.09Å
270G89.2Confident89.2Confident1 Ų145.7 Ų45.71%0.0128%0.281CS..  trans-64.5175168.200000112.9P133 S258 S268P133-G270 VanDerWaalsContact O-CA 3.31Å; P133-G270 WeakPolarHBondContact O-CA 3.43Å; S258-G270 PolarHBondContact O-N 3.08Å; S268-G270 PolarHBondContact O-N 2.91Å
271S89.8Confident89.2Confident18 Ų1846.3 Ų46.313%0.12629%0.285CS..PPolyproline II helixtrans-65.7156.817454.10000111.7Q26 P135 R257Q26-S271 VanDerWaalsContact CD-CB 3.49Å; Q26-S271 VanDerWaalsContact NE2-CB 3.32Å; P135-S271 WeakPolarHBondContact CB-O 3.47Å; P135-S271 WeakPolarHBondContact CD-OG 3.19Å; R257-S271 WeakPolarHBondContact CB-O 3.29Å
272W90.6Very high89.5Confident46 Ų4645.7 Ų45.717%0.17428%0.283CS..PPolyproline II helixtrans-71.5139.8170.4-70.297.9000110.5E168 R170 Q255 R257E168-W272 HydrophobicContact CB-CH2 4.44Å; E168-W272 HydrophobicContact CG-CH2 4.2Å; E168-W272 WeakPolarHBondContact O-CZ3 3.35Å; E168-W272 WeakPolarHBondContact OE2-CH2 3.36Å; E168-W272 WeakPolarHBondContact OE2-CZ2 3.35Å; R170-W272 HydrophobicContact CB-CH2 3.7Å; R170-W272 HydrophobicContact CB-CZ2 4.38Å; R170-W272 HydrophobicContact CB-CZ3 3.85Å; R170-W272 HydrophobicContact CG-CD2 4.3Å; R170-W272 HydrophobicContact CG-CE3 3.77Å; R170-W272 HydrophobicContact CG-CH2 3.7Å; R170-W272 HydrophobicContact CG-CZ2 4.24Å; R170-W272 HydrophobicContact CG-CZ3 3.45Å; R170-W272 VanDerWaalsContact CG-CZ3 3.45Å; R170-W272 VanDerWaalsContact CZ-CD2 3.42Å; R170-W272 VanDerWaalsContact NH1-NE1 3.11Å; R170-W272 VanDerWaalsContact NH2-CG 3.34Å; Q255-W272 HydrophobicContact CB-CE3 3.85Å; Q255-W272 WeakPolarHBondContact O-CZ3 3.34Å; R257-W272 HydrophobicContact CB-CD2 4.12Å; R257-W272 HydrophobicContact CB-CE3 3.9Å; R257-W272 HydrophobicContact CB-CZ3 4.23Å; R257-W272 VanDerWaalsContact CD-CE2 3.49Å; R257-W272 HydrophobicContact CG-CD2 3.99Å; R257-W272 HydrophobicContact CG-CE3 3.78Å; R257-W272 HydrophobicContact CG-CH2 3.79Å; R257-W272 HydrophobicContact CG-CZ2 3.99Å; R257-W272 HydrophobicContact CG-CZ3 3.67Å
273S91.4Very high89.9Confident6 Ų645.5 Ų45.54%0.04227%0.268CS..PPolyproline II helixtrans-5916717174.10000111.6I139 Q255 L256I139-S273 WeakPolarHBondContact CD1-OG 2.98Å; Q255-S273 WeakPolarHBondContact CA-OG 3.49Å; Q255-S273 WeakPolarHBondContact CG-O 3.2Å; Q255-S273 PolarHBondContact NE2-O 2.81Å; L256-S273 PolarHBondContact N-OG 2.82Å; L256-S273 VanDerWaalsContact O-CB 3.31Å; L256-S273 WeakPolarHBondContact O-CB 2.84Å; L256-S273 PolarHBondContact O-N 3.35Å; L256-S273 PolarHBondContact O-OG 3.07Å
274L88.8Confident90.2Very high149 Ų14939.1 Ų39.178%0.7824%0.236SC*.PPolyproline II helixtrans-61.2144.2167.4-64.9174.5000110.2V276L274-V276 PolarHBondContact O-N 3.46Å
275P89.1Confident90.5Very high81 Ų8141.8 Ų41.853%0.52625%0.25SC..PPolyproline II helixtrans-67.7129.4178.628.2-33.1000110.6L254 Q255L254-P275 WeakPolarHBondContact O-CA 3.24Å; Q255-P275 VanDerWaalsContact CG-CA 3.5Å; Q255-P275 HydrophobicContact CG-CB 3.91Å
276V90.4Very high90.5Very high38 Ų3845.3 Ų45.323%0.2328%0.28CS..EExtended strand (participates in β ladder)trans-105.4137.9172.1179.90000108.1I139 A141 W253 L254 L274I139-V276 HydrophobicContact CB-CG2 4Å; I139-V276 HydrophobicContact CG2-CG2 4.04Å; A141-V276 HydrophobicContact CB-CG1 4Å; W253-V276 CarbonylContact C-O 3.57Å; W253-V276 VanDerWaalsContact CA-O 3.26Å; W253-V276 WeakPolarHBondContact CA-O 3.41Å; L254-V276 HydrophobicContact CD1-CB 3.95Å; L254-V276 HydrophobicContact CG-CB 4.22Å; L254-V276 PolarHBondContact N-O 3.09Å; L254-V276 PolarHBondContact O-N 3.35Å; L274-V276 PolarHBondContact O-N 3.46Å
277T90.7Very high90.5Very high78 Ų7845.3 Ų45.348%0.47928%0.275SS..EExtended strand (participates in β ladder)trans-109.7142.6175.6570000110.9K174 Y252 W253K174-T277 HydrophobicContact CD-CG2 4.44Å; Y252-T277 CarbonylContact O-C 3.51Å; Y252-T277 VanDerWaalsContact O-CA 3.26Å; Y252-T277 WeakPolarHBondContact O-CA 3.39Å; W253-T277 HydrophobicContact CB-CG2 4.21Å
278V90.1Very high90.4Very high11 Ų1145.3 Ų45.37%0.06728%0.275CS..EExtended strand (participates in β ladder)trans-134.7136.7177.662.60000109.2A141 L150 S251 Y252 L254 L280A141-V278 HydrophobicContact CB-CB 4.03Å; A141-V278 HydrophobicContact CB-CG1 4.47Å; A141-V278 HydrophobicContact CB-CG2 4.39Å; L150-V278 HydrophobicContact CD1-CB 4.32Å; L150-V278 HydrophobicContact CD1-CG1 3.72Å; L150-V278 HydrophobicContact CD1-CG2 4.02Å; L150-V278 HydrophobicContact CD2-CG1 4.18Å; S251-V278 CarbonylContact C-O 3.5Å; S251-V278 WeakPolarHBondContact CA-O 2.99Å; Y252-V278 PolarHBondContact N-O 2.98Å; Y252-V278 PolarHBondContact O-N 2.65Å; L254-V278 HydrophobicContact CD2-CG1 4.34Å; V278-L280 HydrophobicContact CG2-CD2 4.3Å
279D90.3Very high90.5Very high104 Ų10445 Ų4556%0.55627%0.27SS*.EExtended strand (participates in β ladder)trans-100.8115.8174-60-35.4000107.6S251S251-D279 WeakPolarHBondContact CB-OD1 3.45Å; S251-D279 PolarHBondContact OG-OD1 2.96Å
280L91Very high90.6Very high7 Ų748.1 Ų48.14%0.03729%0.287CS..PPolyproline II helixtrans-83.6138.1178.3-63.4-176.5000110L150 L246 G249 N250 Y252 V278L150-L280 HydrophobicContact CB-CD2 4.32Å; L150-L280 HydrophobicContact CD1-CD2 4.37Å; L246-L280 HydrophobicContact CB-CD1 3.77Å; L246-L280 HydrophobicContact CD1-CD1 3.83Å; L246-L280 HydrophobicContact CG-CD1 4.46Å; G249-L280 CarbonylContact C-O 3.53Å; G249-L280 WeakPolarHBondContact CA-O 3.12Å; G249-L280 PolarHBondContact N-O 2.98Å; N250-L280 WeakPolarHBondContact O-CB 3.36Å; N250-L280 PolarHBondContact O-N 2.96Å; Y252-L280 HydrophobicContact CD2-CD1 3.75Å; Y252-L280 HydrophobicContact CD2-CG 4.04Å; Y252-L280 HydrophobicContact CE2-CD1 3.59Å; Y252-L280 HydrophobicContact CE2-CG 4.22Å; V278-L280 HydrophobicContact CG2-CD2 4.3Å
281P91.3Very high90.7Very high16 Ų1649.2 Ų49.210%0.10429%0.294CS..PPolyproline II helixtrans-62.6150.2173.927.9-33.9000110.4P248 G249 L365 S377 L379P248-P281 WeakPolarHBondContact CB-O 3.39Å; G249-P281 PolarHBondContact N-O 2.89Å; P281-L365 HydrophobicContact CB-CD1 4.45Å; P281-S377 CarbonylContact C-O 3.55Å; P281-S377 WeakPolarHBondContact CA-O 3.48Å; P281-L379 HydrophobicContact CB-CB 3.91Å; P281-L379 HydrophobicContact CG-CB 3.69Å; P281-L379 HydrophobicContact CG-CD2 4.08Å; P281-L379 HydrophobicContact CG-CG 4.47Å
282G91.1Very high90.9Very high8 Ų848.8 Ų48.88%0.08229%0.29CS..EExtended strand (participates in β ladder)trans-64.6162.1171.900000111.9S377 Y378 L379G282-S377 PolarHBondContact N-O 2.91Å; G282-Y378 CarbonylContact O-C 3.54Å; G282-Y378 VanDerWaalsContact O-CA 3.32Å; G282-Y378 WeakPolarHBondContact O-CA 3.34Å; G282-L379 PolarHBondContact O-N 3.43Å
283D92.6Very high90.9Very high57 Ų5746.6 Ų46.631%0.30528%0.281SS..EExtended strand (participates in β ladder)trans-76.8124.5170.6-172.9-11.5000109.5P147 P248 V285 A286P147-D283 HydrophobicContact CB-CB 4.22Å; P248-D283 HydrophobicContact CB-CB 4.12Å; P248-D283 HydrophobicContact CG-CB 4.18Å; D283-V285 PolarHBondContact O-N 3Å; D283-V285 VanDerWaalsContact O-N 3.12Å; D283-V285 WeakPolarHBondContact OD1-CG2 3.43Å; D283-V285 PolarHBondContact OD1-N 3.3Å; D283-A286 VanDerWaalsContact O-CB 3.24Å; D283-A286 WeakPolarHBondContact O-CB 3.32Å; D283-A286 PolarHBondContact O-N 2.86Å
284A92.5Very high90.8Very high2 Ų251.5 Ų51.52%0.01731%0.307CS..G310 helixtrans-66-10.317900000114A286 I287 G288 L289 L379A284-A286 PolarHBondContact O-N 2.88Å; A284-I287 HydrophobicContact CB-CD1 4.45Å; A284-I287 HydrophobicContact CB-CG1 4.31Å; A284-I287 WeakPolarHBondContact O-CG1 3.29Å; A284-I287 PolarHBondContact O-N 3.04Å; A284-G288 PolarHBondContact O-N 2.86Å; A284-L289 HydrophobicContact CB-CB 3.7Å; A284-L289 HydrophobicContact CB-CD2 3.48Å; A284-L289 VanDerWaalsContact CB-CD2 3.48Å; A284-L289 HydrophobicContact CB-CG 4.22Å; A284-L289 WeakPolarHBondContact O-CB 3.24Å; A284-L289 PolarHBondContact O-N 3.48Å; A284-L379 WeakPolarHBondContact CB-O 3.5Å; A284-L379 PolarHBondContact N-O 2.98Å
285V90.6Very high90.6Very high105 Ų10548.1 Ų48.164%0.63629%0.289SS*.G310 helixtrans-58.5-31.2166.4177.40000111.3D283 I287 G288D283-V285 PolarHBondContact O-N 3Å; D283-V285 VanDerWaalsContact O-N 3.12Å; D283-V285 WeakPolarHBondContact OD1-CG2 3.43Å; D283-V285 PolarHBondContact OD1-N 3.3Å; V285-I287 VanDerWaalsContact C-N 3.27Å; V285-I287 PolarHBondContact O-N 3.32Å; V285-G288 PolarHBondContact O-N 2.81Å
286A90.1Very high90.5Very high83 Ų8346.7 Ų46.769%0.68628%0.277SS*.G310 helixtrans-62.9-31.4178.800000113.3D283 A284 Y378D283-A286 VanDerWaalsContact O-CB 3.24Å; D283-A286 WeakPolarHBondContact O-CB 3.32Å; D283-A286 PolarHBondContact O-N 2.86Å; A284-A286 PolarHBondContact O-N 2.88Å; A286-Y378 HydrophobicContact CB-CE1 4.32Å
287I89.5Confident90.3Very high21 Ų2152 Ų5211%0.10830%0.297CS..G310 helixtrans-94.97.2175.663.6169.1000112.5A284 V285 L289 W303 Q304 V366 Y378A284-I287 HydrophobicContact CB-CD1 4.45Å; A284-I287 HydrophobicContact CB-CG1 4.31Å; A284-I287 WeakPolarHBondContact O-CG1 3.29Å; A284-I287 PolarHBondContact O-N 3.04Å; V285-I287 VanDerWaalsContact C-N 3.27Å; V285-I287 PolarHBondContact O-N 3.32Å; I287-L289 VanDerWaalsContact C-N 3.32Å; I287-L289 HydrophobicContact CD1-CB 4.46Å; I287-L289 HydrophobicContact CG1-CB 4.22Å; I287-L289 PolarHBondContact O-N 3.1Å; I287-W303 HydrophobicContact CD1-CB 3.97Å; I287-W303 HydrophobicContact CD1-CG 4.12Å; I287-W303 HydrophobicContact CG1-CB 4.2Å; I287-Q304 PolarHBondContact O-N 3.14Å; I287-V366 HydrophobicContact CD1-CB 3.77Å; I287-V366 HydrophobicContact CD1-CG1 3.81Å; I287-V366 HydrophobicContact CD1-CG2 4.04Å; I287-Y378 HydrophobicContact CD1-CD2 4.44Å; I287-Y378 HydrophobicContact CD1-CG 4.29Å; I287-Y378 HydrophobicContact CG2-CD1 4.07Å; I287-Y378 HydrophobicContact CG2-CD2 4.03Å; I287-Y378 HydrophobicContact CG2-CE1 3.99Å; I287-Y378 HydrophobicContact CG2-CE2 3.95Å; I287-Y378 HydrophobicContact CG2-CG 4.08Å
288G89.4Confident90.3Very high36 Ų3651 Ų5137%0.37129%0.289SS..THydrogen-bonded Turntrans64.432.5-178.200000113.7A284 V285 Q290A284-G288 PolarHBondContact O-N 2.86Å; V285-G288 PolarHBondContact O-N 2.81Å; G288-Q290 PolarHBondContact O-N 3.02Å
289L92.1Very high90.4Very high29 Ų2950.5 Ų50.515%0.15229%0.286CS..  trans-59.8125.1178.8-178.269.2000110.7A284 I287 C301 Q302 W303 I364 V366A284-L289 HydrophobicContact CB-CB 3.7Å; A284-L289 HydrophobicContact CB-CD2 3.48Å; A284-L289 VanDerWaalsContact CB-CD2 3.48Å; A284-L289 HydrophobicContact CB-CG 4.22Å; A284-L289 WeakPolarHBondContact O-CB 3.24Å; A284-L289 PolarHBondContact O-N 3.48Å; I287-L289 VanDerWaalsContact C-N 3.32Å; I287-L289 HydrophobicContact CD1-CB 4.46Å; I287-L289 HydrophobicContact CG1-CB 4.22Å; I287-L289 PolarHBondContact O-N 3.1Å; L289-C301 HydrophobicContact CD1-CB 4.31Å; L289-Q302 CarbonylContact C-O 2.9Å; L289-Q302 WeakPolarHBondContact CA-O 3.36Å; L289-W303 HydrophobicContact CB-CB 4.42Å; L289-W303 HydrophobicContact CD1-CB 4.05Å; L289-W303 HydrophobicContact CD1-CD2 4.27Å; L289-W303 HydrophobicContact CD1-CE3 3.58Å; L289-W303 HydrophobicContact CD1-CZ3 4.39Å; L289-I364 HydrophobicContact CD2-CB 4.43Å; L289-I364 HydrophobicContact CD2-CG2 3.96Å; L289-V366 HydrophobicContact CD1-CG2 4.11Å; L289-V366 HydrophobicContact CD2-CG2 4.41Å
290Q91.9Very high90.5Very high114 Ų11447.3 Ų47.353%0.53327%0.27SS..EExtended strand (participates in β ladder)trans-133.6126176-67.3174.814.400109.6G288 C301 Q302G288-Q290 PolarHBondContact O-N 3.02Å; Q290-C301 CarbonylContact O-C 3.55Å; Q290-C301 WeakPolarHBondContact O-CA 3.48Å; Q290-Q302 HydrophobicContact CB-CG 4.03Å; Q290-Q302 PolarHBondContact N-O 3.32Å; Q290-Q302 PolarHBondContact O-N 3.02Å
291C92.4Very high90.6Very high24 Ų2447 Ų4716%0.16227%0.269CS..EExtended strand (participates in β ladder)trans-118.9138.9178.2-65.40000110.8V299 T300 C301 I364 F383C291-V299 HydrophobicContact CB-CG1 4.37Å; C291-T300 WeakPolarHBondContact CA-O 3.13Å; C291-C301 HydrophobicContact CB-CB 4.22Å; C291-C301 WeakPolarHBondContact CB-SG 3.44Å; C291-C301 WeakPolarHBondContact SG-CB 3.44Å; C291-C301 CovalentContact SG-SG 2.04Å; C291-C301 PolarHBondContact SG-SG 3.03Å; C291-I364 HydrophobicContact CB-CD1 4.19Å; C291-I364 WeakPolarHBondContact SG-CD1 3.27Å; C291-F383 HydrophobicContact CB-CE1 3.83Å; C291-F383 HydrophobicContact CB-CE2 4.4Å; C291-F383 HydrophobicContact CB-CZ 3.52Å
292F92.3Very high90.6Very high9 Ų947.3 Ų47.34%0.03927%0.269CS..EExtended strand (participates in β ladder)trans-151.6159.9178.757.2-89.5000111.6L294 T300 Q302 A388 R390 P473F292-L294 HydrophobicContact CD2-CD2 4.38Å; F292-L294 HydrophobicContact CD2-CG 4.46Å; F292-T300 HydrophobicContact CE2-CG2 4.3Å; F292-T300 HydrophobicContact CZ-CG2 3.93Å; F292-T300 PolarHBondContact N-O 3.06Å; F292-T300 PolarHBondContact O-N 2.96Å; F292-Q302 HydrophobicContact CE1-CG 4.3Å; F292-A388 CarbonylContact C-O 3.57Å; F292-A388 WeakPolarHBondContact CA-O 3.43Å; F292-A388 WeakPolarHBondContact CB-O 3.4Å; F292-R390 HydrophobicContact CB-CB 3.76Å; F292-R390 HydrophobicContact CD2-CB 4.06Å; F292-R390 HydrophobicContact CG-CB 4.09Å; F292-P473 HydrophobicContact CB-CG 4.2Å
293T91.7Very high90.7Very high0 Ų047 Ų470%027%0.265CS..EExtended strand (participates in β ladder)trans-123.2142.7170.5-177.50000109.9D295 L296 N298 I385 A388 V389 R390T293-D295 PolarHBondContact OG1-N 3.2Å; T293-D295 PolarHBondContact OG1-OD1 3.4Å; T293-L296 HydrophobicContact CG2-CD2 4.26Å; T293-L296 WeakPolarHBondContact OG1-CA 3.49Å; T293-L296 PolarHBondContact OG1-N 2.73Å; T293-N298 VanDerWaalsContact CB-O 3.25Å; T293-N298 WeakPolarHBondContact CB-O 3.46Å; T293-N298 PolarHBondContact OG1-O 3.4Å; T293-I385 HydrophobicContact CG2-CD1 4.42Å; T293-I385 HydrophobicContact CG2-CG1 3.78Å; T293-A388 PolarHBondContact N-O 2.84Å; T293-V389 HydrophobicContact CG2-CB 4.46Å; T293-V389 HydrophobicContact CG2-CG2 4.02Å; T293-V389 WeakPolarHBondContact O-CA 3.33Å; T293-R390 PolarHBondContact O-N 3.11Å
294L88Confident90.4Very high109 Ų10950.3 Ų50.357%0.57128%0.279SS*.SBendtrans-99.7-22.8174.6-61.4177.7000112F292 R390F292-L294 HydrophobicContact CD2-CD2 4.38Å; F292-L294 HydrophobicContact CD2-CG 4.46Å; L294-R390 HydrophobicContact CD2-CB 4.1Å; L294-R390 VanDerWaalsContact CD2-O 3.24Å; L294-R390 WeakPolarHBondContact CD2-O 3.36Å
295D86.3Confident89.9Confident78 Ų7852.4 Ų52.442%0.41729%0.288SS..SBendtrans-128.74.3-166.567.4-11.3000113.7T293 K297 N298T293-D295 PolarHBondContact OG1-N 3.2Å; T293-D295 PolarHBondContact OG1-OD1 3.4Å; D295-K297 PolarHBondContact O-N 2.68Å; D295-K297 VanDerWaalsContact O-N 3.15Å; D295-K297 PolarHBondContact OD1-N 3.12Å; D295-N298 PolarHBondContact OD1-N 2.85Å
296L86Confident89.1Confident51 Ų5154 Ų5427%0.26729%0.288SS..SBendtrans58.318.6-174.4-68.2164.5000113.7T293 I385 V389 W416 Y470T293-L296 HydrophobicContact CG2-CD2 4.26Å; T293-L296 WeakPolarHBondContact OG1-CA 3.49Å; T293-L296 PolarHBondContact OG1-N 2.73Å; L296-I385 HydrophobicContact CD2-CG1 4.34Å; L296-I385 VanDerWaalsContact O-CD1 3.25Å; L296-I385 WeakPolarHBondContact O-CD1 3.3Å; L296-V389 HydrophobicContact CD2-CG2 3.44Å; L296-V389 VanDerWaalsContact CD2-CG2 3.44Å; L296-V389 HydrophobicContact CG-CG2 4.26Å; L296-W416 HydrophobicContact CD1-CH2 4.2Å; L296-W416 HydrophobicContact CD1-CZ2 4.38Å; L296-Y470 HydrophobicContact CD1-CD1 4.42Å; L296-Y470 HydrophobicContact CD1-CE1 3.69Å; L296-Y470 HydrophobicContact CD2-CD1 4.2Å; L296-Y470 HydrophobicContact CD2-CE1 3.94Å; L296-Y470 HydrophobicContact CG-CE1 4.49Å
297K86.7Confident88.1Confident149 Ų14956.1 Ų56.165%0.64829%0.289SS*.SBendtrans-126.1-52.3178.7-65.8177.8-179.2177.80111.6D295 S356D295-K297 PolarHBondContact O-N 2.68Å; D295-K297 VanDerWaalsContact O-N 3.15Å; D295-K297 PolarHBondContact OD1-N 3.12Å; K297-S356 PolarHBondContact O-N 3.01Å
298N90.8Very high87.1Confident57 Ų5763.3 Ų63.331%0.30532%0.321SS..EExtended strand (participates in β ladder)trans-97.6128.9177.1-79.22.9000109.9T293 D295 F354 K355T293-N298 VanDerWaalsContact CB-O 3.25Å; T293-N298 WeakPolarHBondContact CB-O 3.46Å; T293-N298 PolarHBondContact OG1-O 3.4Å; D295-N298 PolarHBondContact OD1-N 2.85Å; N298-F354 WeakPolarHBondContact CA-O 3.28Å; N298-K355 WeakPolarHBondContact OD1-CG 3.36Å
299V92.4Very high86.5Confident1 Ų162.3 Ų62.31%0.00631%0.309CS..EExtended strand (participates in β ladder)trans-100.2131.5171.3-1790000107.7C291 H353 F354 I362 F383 I385C291-V299 HydrophobicContact CB-CG1 4.37Å; V299-H353 VanDerWaalsContact O-CA 3.32Å; V299-H353 WeakPolarHBondContact O-CA 3.34Å; V299-F354 HydrophobicContact CB-CD1 4.39Å; V299-F354 HydrophobicContact CB-CD2 4.36Å; V299-F354 HydrophobicContact CB-CE1 3.93Å; V299-F354 HydrophobicContact CB-CE2 3.87Å; V299-F354 HydrophobicContact CB-CZ 3.64Å; V299-F354 HydrophobicContact CG1-CE1 3.83Å; V299-F354 HydrophobicContact CG1-CE2 4.3Å; V299-F354 HydrophobicContact CG1-CZ 3.59Å; V299-F354 HydrophobicContact CG2-CE2 4.19Å; V299-F354 HydrophobicContact CG2-CZ 4.3Å; V299-F354 PolarHBondContact N-O 2.81Å; V299-F354 PolarHBondContact O-N 3.42Å; V299-I362 HydrophobicContact CG2-CD1 3.89Å; V299-F383 HydrophobicContact CG1-CE2 4.31Å; V299-F383 HydrophobicContact CG1-CZ 4.13Å; V299-I385 HydrophobicContact CG2-CD1 3.9Å; V299-I385 HydrophobicContact CG2-CG1 4.29Å
300T92.5Very high86.1Confident38 Ų3869.2 Ų69.223%0.23333%0.333CS..EExtended strand (participates in β ladder)trans-113.6126.9174-55.10000108.4C291 F292 C352C291-T300 WeakPolarHBondContact CA-O 3.13Å; F292-T300 HydrophobicContact CE2-CG2 4.3Å; F292-T300 HydrophobicContact CZ-CG2 3.93Å; F292-T300 PolarHBondContact N-O 3.06Å; F292-T300 PolarHBondContact O-N 2.96Å; T300-C352 WeakPolarHBondContact CA-O 3.35Å
301C92.6Very high85.8Confident0 Ų064.2 Ų64.20%031%0.311CS..EExtended strand (participates in β ladder)trans-115.5139.1175.8-68.80000110.3L289 Q290 C291 W303 R351 C352 I364L289-C301 HydrophobicContact CD1-CB 4.31Å; Q290-C301 CarbonylContact O-C 3.55Å; Q290-C301 WeakPolarHBondContact O-CA 3.48Å; C291-C301 HydrophobicContact CB-CB 4.22Å; C291-C301 WeakPolarHBondContact CB-SG 3.44Å; C291-C301 WeakPolarHBondContact SG-CB 3.44Å; C291-C301 CovalentContact SG-SG 2.04Å; C291-C301 PolarHBondContact SG-SG 3.03Å; C301-W303 HydrophobicContact CB-CZ3 4.29Å; C301-R351 WeakPolarHBondContact O-CA 3.41Å; C301-C352 PolarHBondContact N-O 3.39Å; C301-C352 PolarHBondContact O-N 2.94Å; C301-I364 WeakPolarHBondContact SG-CD1 3.24Å
302Q91.9Very high85.6Confident23 Ų2366.2 Ų66.211%0.10732%0.318CS..EExtended strand (participates in β ladder)trans-133.4140.7179.366.6179.142.600110.2L289 Q290 F292 S350 R351L289-Q302 CarbonylContact C-O 2.9Å; L289-Q302 WeakPolarHBondContact CA-O 3.36Å; Q290-Q302 HydrophobicContact CB-CG 4.03Å; Q290-Q302 PolarHBondContact N-O 3.32Å; Q290-Q302 PolarHBondContact O-N 3.02Å; F292-Q302 HydrophobicContact CE1-CG 4.3Å; Q302-S350 VanDerWaalsContact CA-O 3.26Å; Q302-S350 WeakPolarHBondContact CA-O 3.35Å; Q302-R351 HydrophobicContact CB-CG 3.9Å
303W91.4Very high85.5Confident2 Ų265.9 Ų65.91%0.00832%0.317CS..EExtended strand (participates in β ladder)trans-144.4160.4175.358.192.2000110.1I287 L289 C301 S311 F349 S350 C352 V366I287-W303 HydrophobicContact CD1-CB 3.97Å; I287-W303 HydrophobicContact CD1-CG 4.12Å; I287-W303 HydrophobicContact CG1-CB 4.2Å; L289-W303 HydrophobicContact CB-CB 4.42Å; L289-W303 HydrophobicContact CD1-CB 4.05Å; L289-W303 HydrophobicContact CD1-CD2 4.27Å; L289-W303 HydrophobicContact CD1-CE3 3.58Å; L289-W303 HydrophobicContact CD1-CZ3 4.39Å; C301-W303 HydrophobicContact CB-CZ3 4.29Å; W303-S311 PolarHBondContact NE1-OG 3.27Å; W303-F349 CarbonylContact O-C 3.55Å; W303-F349 WeakPolarHBondContact O-CA 3.17Å; W303-S350 PolarHBondContact N-O 3.24Å; W303-S350 VanDerWaalsContact N-O 3.08Å; W303-S350 PolarHBondContact O-N 2.84Å; W303-C352 HydrophobicContact CH2-CB 3.84Å; W303-C352 HydrophobicContact CZ3-CB 4.06Å; W303-V366 HydrophobicContact CD2-CG1 4.2Å; W303-V366 HydrophobicContact CD2-CG2 4.22Å; W303-V366 HydrophobicContact CE3-CG2 4.21Å; W303-V366 HydrophobicContact CG-CG1 4.45Å; W303-V366 HydrophobicContact CZ2-CG1 4.1Å; W303-V366 HydrophobicContact CZ3-CG2 4.4Å
304Q88.3Confident85.4Confident125 Ų12567.1 Ų67.158%0.58432%0.322SS*.EExtended strand (participates in β ladder)trans-72.3130.1-179.7-169.5167.212.900110.2I287 F349I287-Q304 PolarHBondContact O-N 3.14Å; Q304-F349 HydrophobicContact CB-CD1 4.4Å; Q304-F349 HydrophobicContact CB-CE1 4.36Å
305Q80.3Confident85.6Confident47 Ų4762.5 Ų62.522%0.2230%0.298CS..PPolyproline II helixtrans-91.5125.2176.6-177.7155.670.200109.4Q348 S350Q305-Q348 PolarHBondContact N-O 3.3Å; Q305-S350 VanDerWaalsContact CD-OG 3.3Å; Q305-S350 PolarHBondContact NE2-OG 2.93Å
306E75.3Confident85.7Confident137 Ų13760.4 Ų60.464%0.6428%0.284SS*.PPolyproline II helixtrans-82.1144.9176.4-162.5170.4-152.900110.9H308 A309E306-H308 PolarHBondContact O-N 2.8Å; E306-A309 HydrophobicContact CB-CB 4.02Å; E306-A309 PolarHBondContact O-N 2.81Å; E306-A309 VanDerWaalsContact O-N 3.15Å
307D68.8Low85.7Confident129 Ų12959.4 Ų59.469%0.6928%0.278SS*.THydrogen-bonded Turntrans-61.1125.8-177.1-72.7-37.6000110.6A309D307-A309 PolarHBondContact O-N 2.88Å
308H68.6Low85.5Confident172 Ų17253.7 Ų53.780%0.79626%0.257SS*.THydrogen-bonded Turntrans66.59.4-178.9-45.3-41.6000115.9E306 A371E306-H308 PolarHBondContact O-N 2.8Å; H308-A371 HydrophobicContact CB-CB 4.23Å
309A76.8Confident84.7Confident14 Ų1459.6 Ų59.612%0.11628%0.275CS..  trans-95.1139.9169.100000111E306 D307 V368 T369E306-A309 HydrophobicContact CB-CB 4.02Å; E306-A309 PolarHBondContact O-N 2.81Å; E306-A309 VanDerWaalsContact O-N 3.15Å; D307-A309 PolarHBondContact O-N 2.88Å; A309-V368 HydrophobicContact CB-CG1 3.86Å; A309-T369 CarbonylContact C-O 3.58Å; A309-T369 WeakPolarHBondContact CA-O 3.38Å
310R83Confident83.1Confident175 Ų17563.2 Ų63.266%0.6631%0.305SS*.EExtended strand (participates in β ladder)trans-96.1128.1170.2-176.1178.2179.6-177.2-1.8108.2T369R310-T369 PolarHBondContact N-O 2.96Å; R310-T369 PolarHBondContact O-N 2.87Å
311S86.3Confident81.6Confident8 Ų869.7 Ų69.76%0.05633%0.325CS..EExtended strand (participates in β ladder)trans-116.4139.817659.30000110.7W303 S350 E367W303-S311 PolarHBondContact NE1-OG 3.27Å; S311-S350 PolarHBondContact OG-OG 3.04Å; S311-E367 CarbonylContact C-O 3.54Å; S311-E367 VanDerWaalsContact CA-O 3.27Å; S311-E367 WeakPolarHBondContact CA-O 3.44Å
312Q88.6Confident79.6Confident67 Ų6775.7 Ų75.731%0.31337%0.366SS..EExtended strand (participates in β ladder)trans-127.7132.6174.1-175.4168.5-0.100109.6F314 D333 V366 E367Q312-F314 HydrophobicContact CB-CE2 4.23Å; Q312-F314 HydrophobicContact CB-CZ 4.41Å; Q312-F314 HydrophobicContact CG-CE1 4.32Å; Q312-F314 HydrophobicContact CG-CE2 3.93Å; Q312-F314 HydrophobicContact CG-CZ 3.74Å; Q312-D333 PolarHBondContact NE2-OD1 2.81Å; Q312-V366 WeakPolarHBondContact O-CA 3.39Å; Q312-E367 PolarHBondContact N-O 2.83Å; Q312-E367 PolarHBondContact O-N 2.88Å
313G89.3Confident77.8Confident1 Ų176.8 Ų76.81%0.0138%0.375CS..EExtended strand (participates in β ladder)trans-99.1139.7178.700000112C334G313-C334 WeakPolarHBondContact O-CB 3.22Å; G313-C334 PolarHBondContact O-N 3.22Å
314F90.6Very high76Confident26 Ų2680 Ų8011%0.11440%0.396CS..EExtended strand (participates in β ladder)trans-128.2150.4175.7-57.5-86.5000110.4Q312 W331 E332 D333 I364 L365 E367Q312-F314 HydrophobicContact CB-CE2 4.23Å; Q312-F314 HydrophobicContact CB-CZ 4.41Å; Q312-F314 HydrophobicContact CG-CE1 4.32Å; Q312-F314 HydrophobicContact CG-CE2 3.93Å; Q312-F314 HydrophobicContact CG-CZ 3.74Å; F314-W331 HydrophobicContact CB-CB 4.1Å; F314-W331 HydrophobicContact CB-CD2 4.32Å; F314-W331 HydrophobicContact CB-CE3 3.76Å; F314-W331 HydrophobicContact CB-CG 4.49Å; F314-W331 HydrophobicContact CD1-CB 4.42Å; F314-E332 WeakPolarHBondContact CA-O 3.19Å; F314-D333 WeakPolarHBondContact CE1-OD1 3.46Å; F314-I364 WeakPolarHBondContact O-CA 3.25Å; F314-L365 HydrophobicContact CB-CB 4.38Å; F314-L365 PolarHBondContact N-O 3.24Å; F314-L365 PolarHBondContact O-N 3.31Å; F314-E367 HydrophobicContact CD2-CG 4.25Å; F314-E367 HydrophobicContact CE2-CB 4.12Å; F314-E367 HydrophobicContact CE2-CG 3.84Å
315F90.7Very high74.3Confident13 Ų1383.8 Ų83.86%0.05741%0.405CS..EExtended strand (participates in β ladder)trans-137.1155.4174.969.3-83.9000111.5H317 E332 D333 C334 F354 H363F315-H317 AromaticContact CD2-CE1 3.69Å; F315-H317 AromaticContact CE2-CE1 3.59Å; F315-H317 AromaticContact CE2-ND1 3.99Å; F315-E332 HydrophobicContact CD1-CB 4.5Å; F315-E332 HydrophobicContact CE1-CB 4.01Å; F315-E332 HydrophobicContact CE2-CB 4Å; F315-E332 HydrophobicContact CZ-CB 3.73Å; F315-E332 PolarHBondContact N-O 3.15Å; F315-E332 PolarHBondContact O-N 2.88Å; F315-D333 WeakPolarHBondContact CE1-O 3.46Å; F315-C334 HydrophobicContact CD1-CB 4.08Å; F315-C334 HydrophobicContact CE1-CB 4.49Å; F315-F354 HydrophobicContact CB-CD1 4.37Å; F315-F354 HydrophobicContact CB-CD2 4.38Å; F315-F354 HydrophobicContact CB-CE1 4.16Å; F315-F354 HydrophobicContact CB-CE2 4.18Å; F315-F354 HydrophobicContact CB-CG 4.47Å; F315-F354 HydrophobicContact CB-CZ 4.06Å; F315-F354 HydrophobicContact CD1-CB 3.72Å; F315-F354 AromaticContact CD1-CD1 3.88Å; F315-F354 HydrophobicContact CD1-CD1 3.88Å; F315-F354 HydrophobicContact CD1-CD2 4.11Å; F315-F354 HydrophobicContact CD1-CE1 4.5Å; F315-F354 AromaticContact CD1-CG 3.64Å; F315-F354 HydrophobicContact CD1-CG 3.64Å; F315-F354 HydrophobicContact CD2-CB 4.34Å; F315-F354 AromaticContact CD2-CD2 3.5Å; F315-F354 HydrophobicContact CD2-CD2 3.5Å; F315-F354 VanDerWaalsContact CD2-CD2 3.5Å; F315-F354 AromaticContact CD2-CE2 3.87Å; F315-F354 HydrophobicContact CD2-CE2 3.87Å; F315-F354 AromaticContact CD2-CG 3.92Å; F315-F354 HydrophobicContact CD2-CG 3.92Å; F315-F354 HydrophobicContact CE1-CB 3.33Å; F315-F354 HydrophobicContact CE1-CD1 4.38Å; F315-F354 HydrophobicContact CE1-CD2 4.31Å; F315-F354 AromaticContact CE1-CG 3.79Å; F315-F354 HydrophobicContact CE1-CG 3.79Å; F315-F354 HydrophobicContact CE2-CB 4.02Å; F315-F354 AromaticContact CE2-CD2 3.75Å; F315-F354 HydrophobicContact CE2-CD2 3.75Å; F315-F354 HydrophobicContact CE2-CG 4.07Å; F315-F354 HydrophobicContact CG-CB 4.22Å; F315-F354 HydrophobicContact CG-CD1 4.02Å; F315-F354 AromaticContact CG-CD2 3.71Å; F315-F354 HydrophobicContact CG-CD2 3.71Å; F315-F354 HydrophobicContact CG-CE1 4.28Å; F315-F354 AromaticContact CG-CE2 4Å; F315-F354 HydrophobicContact CG-CE2 4Å; F315-F354 AromaticContact CG-CG 3.72Å; F315-F354 HydrophobicContact CG-CG 3.72Å; F315-F354 HydrophobicContact CG-CZ 4.26Å; F315-F354 HydrophobicContact CZ-CB 3.51Å; F315-F354 HydrophobicContact CZ-CD2 4.15Å; F315-F354 HydrophobicContact CZ-CG 4.01Å; F315-H363 VanDerWaalsContact CA-O 3.26Å; F315-H363 WeakPolarHBondContact CA-O 3.49Å
316Y89.1Confident72.9Confident34 Ų3486 Ų8613%0.13342%0.419CS..EExtended strand (participates in β ladder)trans-145.7158.5163.480.1-87.9000111.3P329 V330 W331 H363Y316-P329 HydrophobicContact CD1-CB 3.91Å; Y316-P329 HydrophobicContact CD2-CB 3.95Å; Y316-P329 HydrophobicContact CE1-CB 3.79Å; Y316-P329 HydrophobicContact CE1-CG 4.09Å; Y316-P329 HydrophobicContact CE2-CB 3.83Å; Y316-P329 HydrophobicContact CG-CB 4.01Å; Y316-V330 WeakPolarHBondContact CB-O 3.17Å; Y316-W331 AromaticContact CD1-CD2 3.78Å; Y316-W331 HydrophobicContact CD1-CD2 3.78Å; Y316-W331 AromaticContact CD1-CE2 3.75Å; Y316-W331 AromaticContact CD1-CE3 3.61Å; Y316-W331 HydrophobicContact CD1-CE3 3.61Å; Y316-W331 AromaticContact CD1-CH2 3.4Å; Y316-W331 HydrophobicContact CD1-CH2 3.4Å; Y316-W331 AromaticContact CD1-CZ2 3.59Å; Y316-W331 HydrophobicContact CD1-CZ2 3.59Å; Y316-W331 AromaticContact CD1-CZ3 3.42Å; Y316-W331 HydrophobicContact CD1-CZ3 3.42Å; Y316-W331 VanDerWaalsContact CD1-CZ3 3.42Å; Y316-W331 HydrophobicContact CE1-CD2 4.44Å; Y316-W331 AromaticContact CE1-CE2 3.95Å; Y316-W331 HydrophobicContact CE1-CE3 4.4Å; Y316-W331 AromaticContact CE1-CH2 3.35Å; Y316-W331 HydrophobicContact CE1-CH2 3.35Å; Y316-W331 AromaticContact CE1-CZ2 3.4Å; Y316-W331 HydrophobicContact CE1-CZ2 3.4Å; Y316-W331 VanDerWaalsContact CE1-CZ2 3.4Å; Y316-W331 AromaticContact CE1-CZ3 3.9Å; Y316-W331 HydrophobicContact CE1-CZ3 3.9Å; Y316-H363 HydrophobicContact CD1-CB 3.64Å; Y316-H363 HydrophobicContact CE1-CB 3.21Å; Y316-H363 AromaticContact CE1-CD2 3.96Å; Y316-H363 AromaticContact CE1-CG 3.58Å; Y316-H363 HydrophobicContact CE2-CB 4.31Å; Y316-H363 AromaticContact CE2-CD2 3.5Å; Y316-H363 VanDerWaalsContact CE2-CD2 3.5Å; Y316-H363 WeakPolarHBondContact CE2-CD2 3.38Å; Y316-H363 AromaticContact CE2-CG 3.98Å; Y316-H363 HydrophobicContact CG-CB 4.33Å; Y316-H363 AromaticContact CZ-CD2 3.34Å; Y316-H363 AromaticContact CZ-CG 3.34Å; Y316-H363 AromaticContact CZ-ND1 3.96Å; Y316-H363 AromaticContact CZ-NE2 3.99Å; Y316-H363 PolarHBondContact N-O 3.01Å; Y316-H363 PolarHBondContact O-N 3.23Å; Y316-H363 PolarHBondContact OH-CD2 2.89Å; Y316-H363 VanDerWaalsContact OH-CG 3.28Å; Y316-H363 PolarHBondContact OH-ND1 3.08Å
317H86.9Confident72.2Confident29 Ų2989.4 Ų89.413%0.13443%0.426CS..EExtended strand (participates in β ladder)trans-105125.1179.1-64.292.9000109.9F315 K355 S356 R357 S360 V361F315-H317 AromaticContact CD2-CE1 3.69Å; F315-H317 AromaticContact CE2-CE1 3.59Å; F315-H317 AromaticContact CE2-ND1 3.99Å; H317-K355 PolarHBondContact CE1-O 3.04Å; H317-S356 WeakPolarHBondContact NE2-CA 3.34Å; H317-R357 PolarHBondContact NE2-N 2.9Å; H317-S360 PolarHBondContact CD2-OG 2.84Å; H317-V361 WeakPolarHBondContact CA-O 3.09Å
318S81Confident72Confident30 Ų3090.3 Ų90.321%0.2142%0.42CS..EExtended strand (participates in β ladder)trans-111.4151.1173.1870000110.3S360 V361 H363S318-S360 CarbonylContact O-C 3.54Å; S318-S360 WeakPolarHBondContact O-CA 3.19Å; S318-S360 WeakPolarHBondContact O-CB 3.27Å; S318-V361 PolarHBondContact N-O 3.43Å; S318-V361 PolarHBondContact O-N 3.46Å; S318-H363 WeakPolarHBondContact CB-NE2 3.34Å; S318-H363 PolarHBondContact OG-NE2 2.74Å
319R74.3Confident72.2Confident181 Ų18184 Ų8468%0.68339%0.394SS*.  trans-88.8144.6164.3-68-174.3-178.7-178.3-0.4106.9R321R319-R321 VanDerWaalsContact C-N 3.27Å; R319-R321 PolarHBondContact O-N 3.23Å
320A59.6Low72.5Confident77 Ų7788.8 Ų88.864%0.63642%0.422SS*.  trans-56.794.5169.300000109.1W384A320-W384 HydrophobicContact CB-CH2 4.11Å; A320-W384 HydrophobicContact CB-CZ2 4.11Å
321R60.3Low72.7Confident173 Ų17384 Ų8465%0.65340%0.404SS*.  trans-127.8133.4173.1-77.2-169-78.6-124.8-0.5105.2R319 C323R319-R321 VanDerWaalsContact C-N 3.27Å; R319-R321 PolarHBondContact O-N 3.23Å; R321-C323 PolarHBondContact O-N 3.5Å
322C50.9Low72.8Confident127 Ų12787 Ų8786%0.85842%0.417SS*.SBendtrans-58.9-21.1179.2-59.70000112.1C194C194-C322 PolarHBondContact SG-O 2.85Å
323C53Low72.8Confident46 Ų4688.6 Ų88.631%0.31143%0.428SS..SBendtrans-139.1113.9-174.5-400000111C194 R321C194-C323 HydrophobicContact CB-CB 3.58Å; C194-C323 WeakPolarHBondContact CB-SG 3.5Å; C194-C323 WeakPolarHBondContact SG-CB 3.44Å; C194-C323 CovalentContact SG-SG 2Å; C194-C323 PolarHBondContact SG-SG 3.32Å; R321-C323 PolarHBondContact O-N 3.5Å
324P54.7Low72.8Confident68 Ų6889 Ų8944%0.44243%0.431SS..  trans-63.4134.2165.6-16.630.4000109.2Q151Q151-P324 PolarHBondContact NE2-O 2.89Å; Q151-P324 VanDerWaalsContact NE2-O 3.15Å
325R53.4Low72.5Confident205 Ų20593.8 Ų93.877%0.77445%0.454SS*.  trans-57.5156.9170.7-94.8-176178.5-167.5-1.1109.4R327R325-R327 PolarHBondContact O-N 2.74Å
326D50.8Low72Confident94 Ų9497.6 Ų97.650%0.50347%0.471SS..SBendtrans-54.710.5172.9-71.4-52.1000116.3S153S153-D326 WeakPolarHBondContact CB-OD1 3.21Å; S153-D326 PolarHBondContact OG-OD1 2.83Å
327R60.7Low71.3Confident209 Ų209101.6 Ų101.679%0.78949%0.491SS*.SBendtrans-99.5122.4178.3-145.9-179.4-120.7-157.4-1.6108.2R325R325-R327 PolarHBondContact O-N 2.74Å
328Y63.6Low70.1Confident147 Ų147108.4 Ų108.458%0.57652%0.523SS*.  trans-45.8134.4168.5-80.3-85.4000110.3M142 V330M142-Y328 HydrophobicContact CB-CE1 4.06Å; M142-Y328 HydrophobicContact CE-CD1 3.81Å; M142-Y328 HydrophobicContact CE-CE1 4.05Å; M142-Y328 HydrophobicContact CE-CG 4.4Å; M142-Y328 HydrophobicContact SD-CE1 4.33Å; Y328-V330 PolarHBondContact O-N 3.29Å
329P73.5Confident69.1Low39 Ų39114.7 Ų114.725%0.25355%0.547SS..  trans-58.5135.5174.524.6-31.7000108.7Y316 W331Y316-P329 HydrophobicContact CD1-CB 3.91Å; Y316-P329 HydrophobicContact CD2-CB 3.95Å; Y316-P329 HydrophobicContact CE1-CB 3.79Å; Y316-P329 HydrophobicContact CE1-CG 4.09Å; Y316-P329 HydrophobicContact CE2-CB 3.83Å; Y316-P329 HydrophobicContact CG-CB 4.01Å; P329-W331 HydrophobicContact CG-CZ2 4.5Å; P329-W331 PolarHBondContact O-N 2.76Å
330V82.6Confident67.7Low116 Ų116111.5 Ų111.570%0.70355%0.547SS*.  trans-83.9105.1174.1-178.20000106.4Y316 Y328Y316-V330 WeakPolarHBondContact CB-O 3.17Å; Y328-V330 PolarHBondContact O-N 3.29Å
331W86.1Confident67.2Low73 Ų73113.9 Ų113.928%0.27755%0.55SS..PPolyproline II helixtrans-75.5132.1176.3-68.796.6000110F314 Y316 P329 H363 L365 L379F314-W331 HydrophobicContact CB-CB 4.1Å; F314-W331 HydrophobicContact CB-CD2 4.32Å; F314-W331 HydrophobicContact CB-CE3 3.76Å; F314-W331 HydrophobicContact CB-CG 4.49Å; F314-W331 HydrophobicContact CD1-CB 4.42Å; Y316-W331 AromaticContact CD1-CD2 3.78Å; Y316-W331 HydrophobicContact CD1-CD2 3.78Å; Y316-W331 AromaticContact CD1-CE2 3.75Å; Y316-W331 AromaticContact CD1-CE3 3.61Å; Y316-W331 HydrophobicContact CD1-CE3 3.61Å; Y316-W331 AromaticContact CD1-CH2 3.4Å; Y316-W331 HydrophobicContact CD1-CH2 3.4Å; Y316-W331 AromaticContact CD1-CZ2 3.59Å; Y316-W331 HydrophobicContact CD1-CZ2 3.59Å; Y316-W331 AromaticContact CD1-CZ3 3.42Å; Y316-W331 HydrophobicContact CD1-CZ3 3.42Å; Y316-W331 VanDerWaalsContact CD1-CZ3 3.42Å; Y316-W331 HydrophobicContact CE1-CD2 4.44Å; Y316-W331 AromaticContact CE1-CE2 3.95Å; Y316-W331 HydrophobicContact CE1-CE3 4.4Å; Y316-W331 AromaticContact CE1-CH2 3.35Å; Y316-W331 HydrophobicContact CE1-CH2 3.35Å; Y316-W331 AromaticContact CE1-CZ2 3.4Å; Y316-W331 HydrophobicContact CE1-CZ2 3.4Å; Y316-W331 VanDerWaalsContact CE1-CZ2 3.4Å; Y316-W331 AromaticContact CE1-CZ3 3.9Å; Y316-W331 HydrophobicContact CE1-CZ3 3.9Å; P329-W331 HydrophobicContact CG-CZ2 4.5Å; P329-W331 PolarHBondContact O-N 2.76Å; W331-H363 HydrophobicContact CH2-CB 4.11Å; W331-H363 HydrophobicContact CZ3-CB 4.4Å; W331-L365 HydrophobicContact CD2-CB 4.2Å; W331-L365 HydrophobicContact CD2-CD2 4.15Å; W331-L365 HydrophobicContact CE3-CB 3.76Å; W331-L365 HydrophobicContact CH2-CB 3.42Å; W331-L365 VanDerWaalsContact CH2-CB 3.42Å; W331-L365 HydrophobicContact CH2-CG 4.47Å; W331-L365 HydrophobicContact CZ2-CB 3.86Å; W331-L365 HydrophobicContact CZ2-CD2 4.1Å; W331-L365 HydrophobicContact CZ2-CG 4.48Å; W331-L365 HydrophobicContact CZ3-CB 3.35Å; W331-L379 HydrophobicContact CH2-CD1 3.87Å; W331-L379 HydrophobicContact CZ2-CD1 4.28Å
332E89.4Confident66.8Low72 Ų72112.8 Ų112.834%0.33657%0.565SS.*EExtended strand (participates in β ladder)trans-98.4138.4174-63.6175.9-155.900108.5F314 F315 R357F314-E332 WeakPolarHBondContact CA-O 3.19Å; F315-E332 HydrophobicContact CD1-CB 4.5Å; F315-E332 HydrophobicContact CE1-CB 4.01Å; F315-E332 HydrophobicContact CE2-CB 4Å; F315-E332 HydrophobicContact CZ-CB 3.73Å; F315-E332 PolarHBondContact N-O 3.15Å; F315-E332 PolarHBondContact O-N 2.88Å; E332-R357 IonicContact OE1-CZ 2.74Å; E332-R357 IonicContact OE1-NH2 3.92Å; E332-R357 PolarHBondContact OE1-NH2 3.18Å; E332-R357 IonicContact OE2-NH2 3.52Å
333D89.1Confident66.6Low100 Ų100110.1 Ų110.154%0.53556%0.559SS.*EExtended strand (participates in β ladder)trans-65.2131.6175.7-71.5-70.6000110.8Q312 F314 F315Q312-D333 PolarHBondContact NE2-OD1 2.81Å; F314-D333 WeakPolarHBondContact CE1-OD1 3.46Å; F315-D333 WeakPolarHBondContact CE1-O 3.46Å
334C88.5Confident66.4Low10 Ų10114.7 Ų114.77%0.06858%0.579CS.*PPolyproline II helixtrans-79.8136.7174.4-159.90000110.5G313 F315 E336 C352 H353G313-C334 WeakPolarHBondContact O-CB 3.22Å; G313-C334 PolarHBondContact O-N 3.22Å; F315-C334 HydrophobicContact CD1-CB 4.08Å; F315-C334 HydrophobicContact CE1-CB 4.49Å; C334-E336 PolarHBondContact O-N 2.97Å; C334-E336 VanDerWaalsContact O-N 3.1Å; C334-C352 HydrophobicContact CB-CB 3.59Å; C334-C352 WeakPolarHBondContact CB-SG 3.41Å; C334-C352 VanDerWaalsContact SG-C 3.54Å; C334-C352 WeakPolarHBondContact SG-CB 3.5Å; C334-C352 CovalentContact SG-SG 2.03Å; C334-C352 PolarHBondContact SG-SG 3.37Å; C334-H353 PolarHBondContact SG-N 2.9Å; C334-H353 VanDerWaalsContact SG-N 3.45Å
335E85.4Confident66.2Low127 Ų127119.7 Ų119.759%0.59360%0.597SS**EExtended strand (participates in β ladder)trans-70.2109.9178.1-63.9175.5176.400109C352 H353E335-C352 CarbonylContact O-C 3.52Å; E335-C352 VanDerWaalsContact O-CA 3.26Å; E335-C352 WeakPolarHBondContact O-CA 3.26Å; E335-H353 WeakPolarHBondContact CB-O 3.49Å; E335-H353 PolarHBondContact N-O 2.76Å; E335-H353 PolarHBondContact O-CE1 2.84Å; E335-H353 PolarHBondContact O-N 3.08Å; E335-H353 PolarHBondContact O-ND1 3.14Å; E335-H353 IonicContact OE2-CD2 2.69Å; E335-H353 IonicContact OE2-NE2 2.79Å; E335-H353 PolarHBondContact OE2-NE2 3.41Å
336E80.3Confident66.1Low92 Ų92115.3 Ų115.343%0.4359%0.593SS.*EExtended strand (participates in β ladder)trans-74.4142.2178-70.7-176.3-174.400111.2C334 E338C334-E336 PolarHBondContact O-N 2.97Å; C334-E336 VanDerWaalsContact O-N 3.1Å; E336-E338 PolarHBondContact O-N 2.84Å
337E72.4Confident66.5Low118 Ų118113.5 Ų113.555%0.55159%0.586SS**PPolyproline II helixtrans-72.3116.4174.6-165.9171.2-166.500109.9K339 R351E337-K339 PolarHBondContact O-N 2.84Å; E337-R351 HydrophobicContact CB-CB 4.31Å; E337-R351 PolarHBondContact N-O 3.32Å; E337-R351 WeakPolarHBondContact OE2-CB 3.02Å; E337-R351 WeakPolarHBondContact OE2-CD 3.42Å
338E62.4Low67Low173 Ų173110.1 Ų110.181%0.80858%0.58SS**PPolyproline II helixtrans-60.3130.4176.7-78.6-172168.300110.5E336 T340E336-E338 PolarHBondContact O-N 2.84Å; E338-T340 VanDerWaalsContact C-N 3.27Å; E338-T340 PolarHBondContact O-N 3Å; E338-T340 PolarHBondContact O-OG1 3.05Å; E338-T340 VanDerWaalsContact O-OG1 3.09Å
339K59.8Low67.8Low161 Ų161107.4 Ų107.470%0.757%0.571SS**  trans-61.985.2177.8-65-179.1-178-179.60110.5E337 N341 P347E337-K339 PolarHBondContact O-N 2.84Å; K339-N341 PolarHBondContact O-N 3.45Å; K339-P347 HydrophobicContact CD-CG 4.5Å
340T45.3Very low68.4Low114 Ų114106.3 Ų106.370%0.69956%0.564SS**  trans-78.1108.3175.7-1.30000107.3E338E338-T340 VanDerWaalsContact C-N 3.27Å; E338-T340 PolarHBondContact O-N 3Å; E338-T340 PolarHBondContact O-OG1 3.05Å; E338-T340 VanDerWaalsContact O-OG1 3.09Å
341N49.3Very low68.7Low128 Ų128105.6 Ų105.668%0.68455%0.549SS*.  trans101.197.7177.5-50.7-46.6000115.6K339 G343K339-N341 PolarHBondContact O-N 3.45Å; N341-G343 PolarHBondContact O-N 3.19Å
342P51.4Low68.9Low150 Ų150102.2 Ų102.297%0.97454%0.537SS*.THydrogen-bonded Turntrans-71.67.8172.628.1-33.2000114.7
343G48Very low69Low71 Ų71101.9 Ų101.973%0.73254%0.535SS*.THydrogen-bonded Turntrans-109.8-7.2-17100000116.6N341N341-G343 PolarHBondContact O-N 3.19Å
344L48.3Very low69.1Low141 Ų14197.4 Ų97.474%0.73851%0.511SS*.SBendtrans-141.793.3-174.6-157.973.3000112.1
345Q50.9Low69.2Low174 Ų174104.5 Ų104.581%0.81354%0.54SS*.  trans63.8133.3165.4-57.8178.26.700115.6
346T51Low69.3Low112 Ų11299.4 Ų99.469%0.68752%0.519SS*.  trans-54128.5170.3310000109Q348T346-Q348 PolarHBondContact O-N 2.82Å
347P58.3Low69.5Low56 Ų56101.7 Ų101.736%0.36452%0.523SS..  trans-62.3113.2175.124.3-30.8000107.9K339 F349K339-P347 HydrophobicContact CD-CG 4.5Å; P347-F349 PolarHBondContact O-N 2.04Å; P347-F349 VanDerWaalsContact O-N 3.12Å
348Q72.1Confident69.6Low139 Ų139103.1 Ų103.165%0.6554%0.535SS*.SBendtrans-61.2-16.5174.8-73.5-179.7-11.800112.2Q305 T346Q305-Q348 PolarHBondContact N-O 3.3Å; T346-Q348 PolarHBondContact O-N 2.82Å
349F79.2Confident70.3Confident90 Ų90101.7 Ų101.740%0.39553%0.533SS..EExtended strand (participates in β ladder)trans-131.4133.8-177.5-57.8-81.7000110.6W303 Q304 P347W303-F349 CarbonylContact O-C 3.55Å; W303-F349 WeakPolarHBondContact O-CA 3.17Å; Q304-F349 HydrophobicContact CB-CD1 4.4Å; Q304-F349 HydrophobicContact CB-CE1 4.36Å; P347-F349 PolarHBondContact O-N 2.04Å; P347-F349 VanDerWaalsContact O-N 3.12Å
350S86Confident71.5Confident16 Ų1694.4 Ų94.411%0.11250%0.502CS..EExtended strand (participates in β ladder)trans-83.8143.5164.8-62.30000109.5Q302 W303 Q305 S311Q302-S350 VanDerWaalsContact CA-O 3.26Å; Q302-S350 WeakPolarHBondContact CA-O 3.35Å; W303-S350 PolarHBondContact N-O 3.24Å; W303-S350 VanDerWaalsContact N-O 3.08Å; W303-S350 PolarHBondContact O-N 2.84Å; Q305-S350 VanDerWaalsContact CD-OG 3.3Å; Q305-S350 PolarHBondContact NE2-OG 2.93Å; S311-S350 PolarHBondContact OG-OG 3.04Å
351R89.4Confident73.6Confident100 Ų10089.8 Ų89.838%0.37747%0.474SS..EExtended strand (participates in β ladder)trans-129.8141.1178.9-75.8-168.5160.6114.21.5110.6C301 Q302 E337C301-R351 WeakPolarHBondContact O-CA 3.41Å; Q302-R351 HydrophobicContact CB-CG 3.9Å; E337-R351 HydrophobicContact CB-CB 4.31Å; E337-R351 PolarHBondContact N-O 3.32Å; E337-R351 WeakPolarHBondContact OE2-CB 3.02Å; E337-R351 WeakPolarHBondContact OE2-CD 3.42Å
352C89.5Confident75.5Confident3 Ų383.7 Ų83.72%0.0244%0.441CS..EExtended strand (participates in β ladder)trans-139.1151.6173.394.90000110.6T300 C301 W303 C334 E335T300-C352 WeakPolarHBondContact CA-O 3.35Å; C301-C352 PolarHBondContact N-O 3.39Å; C301-C352 PolarHBondContact O-N 2.94Å; W303-C352 HydrophobicContact CH2-CB 3.84Å; W303-C352 HydrophobicContact CZ3-CB 4.06Å; C334-C352 HydrophobicContact CB-CB 3.59Å; C334-C352 WeakPolarHBondContact CB-SG 3.41Å; C334-C352 VanDerWaalsContact SG-C 3.54Å; C334-C352 WeakPolarHBondContact SG-CB 3.5Å; C334-C352 CovalentContact SG-SG 2.03Å; C334-C352 PolarHBondContact SG-SG 3.37Å; E335-C352 CarbonylContact O-C 3.52Å; E335-C352 VanDerWaalsContact O-CA 3.26Å; E335-C352 WeakPolarHBondContact O-CA 3.26Å
353H91.5Very high77.4Confident64 Ų6476.7 Ų76.730%0.29640%0.396SS..EExtended strand (participates in β ladder)trans-131.6146.8-178.658.3-73.1000111.6V299 C334 E335V299-H353 VanDerWaalsContact O-CA 3.32Å; V299-H353 WeakPolarHBondContact O-CA 3.34Å; C334-H353 PolarHBondContact SG-N 2.9Å; C334-H353 VanDerWaalsContact SG-N 3.45Å; E335-H353 WeakPolarHBondContact CB-O 3.49Å; E335-H353 PolarHBondContact N-O 2.76Å; E335-H353 PolarHBondContact O-CE1 2.84Å; E335-H353 PolarHBondContact O-N 3.08Å; E335-H353 PolarHBondContact O-ND1 3.14Å; E335-H353 IonicContact OE2-CD2 2.69Å; E335-H353 IonicContact OE2-NE2 2.79Å; E335-H353 PolarHBondContact OE2-NE2 3.41Å
354F92.3Very high79.5Confident7 Ų773.6 Ų73.63%0.03136%0.362CS..EExtended strand (participates in β ladder)trans-155.2161.3175.761.5-84.4000111.5N298 V299 F315 I362 I364N298-F354 WeakPolarHBondContact CA-O 3.28Å; V299-F354 HydrophobicContact CB-CD1 4.39Å; V299-F354 HydrophobicContact CB-CD2 4.36Å; V299-F354 HydrophobicContact CB-CE1 3.93Å; V299-F354 HydrophobicContact CB-CE2 3.87Å; V299-F354 HydrophobicContact CB-CZ 3.64Å; V299-F354 HydrophobicContact CG1-CE1 3.83Å; V299-F354 HydrophobicContact CG1-CE2 4.3Å; V299-F354 HydrophobicContact CG1-CZ 3.59Å; V299-F354 HydrophobicContact CG2-CE2 4.19Å; V299-F354 HydrophobicContact CG2-CZ 4.3Å; V299-F354 PolarHBondContact N-O 2.81Å; V299-F354 PolarHBondContact O-N 3.42Å; F315-F354 HydrophobicContact CB-CD1 4.37Å; F315-F354 HydrophobicContact CB-CD2 4.38Å; F315-F354 HydrophobicContact CB-CE1 4.16Å; F315-F354 HydrophobicContact CB-CE2 4.18Å; F315-F354 HydrophobicContact CB-CG 4.47Å; F315-F354 HydrophobicContact CB-CZ 4.06Å; F315-F354 HydrophobicContact CD1-CB 3.72Å; F315-F354 AromaticContact CD1-CD1 3.88Å; F315-F354 HydrophobicContact CD1-CD1 3.88Å; F315-F354 HydrophobicContact CD1-CD2 4.11Å; F315-F354 HydrophobicContact CD1-CE1 4.5Å; F315-F354 AromaticContact CD1-CG 3.64Å; F315-F354 HydrophobicContact CD1-CG 3.64Å; F315-F354 HydrophobicContact CD2-CB 4.34Å; F315-F354 AromaticContact CD2-CD2 3.5Å; F315-F354 HydrophobicContact CD2-CD2 3.5Å; F315-F354 VanDerWaalsContact CD2-CD2 3.5Å; F315-F354 AromaticContact CD2-CE2 3.87Å; F315-F354 HydrophobicContact CD2-CE2 3.87Å; F315-F354 AromaticContact CD2-CG 3.92Å; F315-F354 HydrophobicContact CD2-CG 3.92Å; F315-F354 HydrophobicContact CE1-CB 3.33Å; F315-F354 HydrophobicContact CE1-CD1 4.38Å; F315-F354 HydrophobicContact CE1-CD2 4.31Å; F315-F354 AromaticContact CE1-CG 3.79Å; F315-F354 HydrophobicContact CE1-CG 3.79Å; F315-F354 HydrophobicContact CE2-CB 4.02Å; F315-F354 AromaticContact CE2-CD2 3.75Å; F315-F354 HydrophobicContact CE2-CD2 3.75Å; F315-F354 HydrophobicContact CE2-CG 4.07Å; F315-F354 HydrophobicContact CG-CB 4.22Å; F315-F354 HydrophobicContact CG-CD1 4.02Å; F315-F354 AromaticContact CG-CD2 3.71Å; F315-F354 HydrophobicContact CG-CD2 3.71Å; F315-F354 HydrophobicContact CG-CE1 4.28Å; F315-F354 AromaticContact CG-CE2 4Å; F315-F354 HydrophobicContact CG-CE2 4Å; F315-F354 AromaticContact CG-CG 3.72Å; F315-F354 HydrophobicContact CG-CG 3.72Å; F315-F354 HydrophobicContact CG-CZ 4.26Å; F315-F354 HydrophobicContact CZ-CB 3.51Å; F315-F354 HydrophobicContact CZ-CD2 4.15Å; F315-F354 HydrophobicContact CZ-CG 4.01Å; F354-I362 HydrophobicContact CE2-CD1 4.27Å; F354-I362 HydrophobicContact CE2-CG2 3.7Å; F354-I362 HydrophobicContact CZ-CG2 3.58Å; F354-I364 HydrophobicContact CE1-CD1 4.22Å; F354-I364 HydrophobicContact CZ-CD1 4.08Å
355K90.6Very high81.6Confident158 Ų15867.8 Ų67.869%0.68733%0.332SS*.EExtended strand (participates in β ladder)trans-90.2129.7176.8-75.2174.9-176.1175.20110.6N298 H317N298-K355 WeakPolarHBondContact OD1-CG 3.36Å; H317-K355 PolarHBondContact CE1-O 3.04Å
356S87.4Confident83.5Confident21 Ų2159.5 Ų59.515%0.14729%0.293CS..PPolyproline II helixtrans-81.8149175.2-173.80000112.2K297 H317 I362K297-S356 PolarHBondContact O-N 3.01Å; H317-S356 WeakPolarHBondContact NE2-CA 3.34Å; S356-I362 WeakPolarHBondContact OG-CD1 3.25Å
357R85.1Confident85.5Confident139 Ų13957.4 Ų57.453%0.52528%0.275SS..PPolyproline II helixtrans-92.2138.3168.9-62-177.5-172.7161.312.9110.2H317 E332 D359 S360H317-R357 PolarHBondContact NE2-N 2.9Å; E332-R357 IonicContact OE1-CZ 2.74Å; E332-R357 IonicContact OE1-NH2 3.92Å; E332-R357 PolarHBondContact OE1-NH2 3.18Å; E332-R357 IonicContact OE2-NH2 3.52Å; R357-D359 PolarHBondContact O-N 3Å; R357-S360 PolarHBondContact O-OG 3.12Å
358N74.6Confident86.9Confident149 Ų14955.4 Ų55.480%0.79726%0.262SS*.THydrogen-bonded Turntrans-55.7139.4176.4-67.21.6000111.1S360N358-S360 VanDerWaalsContact C-N 3.34Å; N358-S360 PolarHBondContact O-N 3.05Å
359D76.6Confident87.7Confident142 Ų14251.2 Ų51.276%0.75925%0.246SC*.THydrogen-bonded Turntrans55.241.6176.6-53.1-29.3000114.8R357R357-D359 PolarHBondContact O-N 3Å
360S84.4Confident88Confident9 Ų948.5 Ų48.56%0.06324%0.237CC..  trans-128147.5174.363.50000112.6H317 S318 R357 N358H317-S360 PolarHBondContact CD2-OG 2.84Å; S318-S360 CarbonylContact O-C 3.54Å; S318-S360 WeakPolarHBondContact O-CA 3.19Å; S318-S360 WeakPolarHBondContact O-CB 3.27Å; R357-S360 PolarHBondContact O-OG 3.12Å; N358-S360 VanDerWaalsContact C-N 3.34Å; N358-S360 PolarHBondContact O-N 3.05Å
361V88.6Confident87.7Confident16 Ų1651.8 Ų51.810%0.09727%0.265CS..EExtended strand (participates in β ladder)trans-82.1133.1170.7-177.80000107.7H317 S318 P382 W384H317-V361 WeakPolarHBondContact CA-O 3.09Å; S318-V361 PolarHBondContact N-O 3.43Å; S318-V361 PolarHBondContact O-N 3.46Å; V361-P382 HydrophobicContact CG1-CB 3.6Å; V361-W384 HydrophobicContact CG2-CD2 4Å; V361-W384 VanDerWaalsContact CG2-CE2 3.49Å; V361-W384 HydrophobicContact CG2-CE3 4.34Å; V361-W384 HydrophobicContact CG2-CH2 3.84Å; V361-W384 HydrophobicContact CG2-CZ2 3.41Å; V361-W384 VanDerWaalsContact CG2-CZ2 3.41Å; V361-W384 HydrophobicContact CG2-CZ3 4.27Å
362I90.3Very high87.4Confident0 Ų055.2 Ų55.20%029%0.29CS..EExtended strand (participates in β ladder)trans-99129.4-178-56.6175000108.4V299 F354 S356 I364 P382 F383 I385V299-I362 HydrophobicContact CG2-CD1 3.89Å; F354-I362 HydrophobicContact CE2-CD1 4.27Å; F354-I362 HydrophobicContact CE2-CG2 3.7Å; F354-I362 HydrophobicContact CZ-CG2 3.58Å; S356-I362 WeakPolarHBondContact OG-CD1 3.25Å; I362-I364 HydrophobicContact CG2-CD1 4.23Å; I362-I364 HydrophobicContact CG2-CG1 4.02Å; I362-P382 WeakPolarHBondContact O-CA 3.41Å; I362-F383 HydrophobicContact CB-CE2 4.33Å; I362-F383 HydrophobicContact CB-CZ 4.32Å; I362-F383 HydrophobicContact CD1-CE2 4.01Å; I362-F383 HydrophobicContact CG2-CE1 4.46Å; I362-F383 HydrophobicContact CG2-CZ 4.1Å; I362-F383 PolarHBondContact N-O 3.27Å; I362-F383 PolarHBondContact O-N 3.28Å; I362-I385 HydrophobicContact CD1-CB 4.3Å
363H90.3Very high87.1Confident4 Ų457.4 Ų57.42%0.01931%0.313CS..EExtended strand (participates in β ladder)trans-116.6144.3172.3-60-95.8000109.3S145 F315 Y316 S318 W331S145-H363 PolarHBondContact O-ND1 3.27Å; F315-H363 VanDerWaalsContact CA-O 3.26Å; F315-H363 WeakPolarHBondContact CA-O 3.49Å; Y316-H363 HydrophobicContact CD1-CB 3.64Å; Y316-H363 HydrophobicContact CE1-CB 3.21Å; Y316-H363 AromaticContact CE1-CD2 3.96Å; Y316-H363 AromaticContact CE1-CG 3.58Å; Y316-H363 HydrophobicContact CE2-CB 4.31Å; Y316-H363 AromaticContact CE2-CD2 3.5Å; Y316-H363 VanDerWaalsContact CE2-CD2 3.5Å; Y316-H363 WeakPolarHBondContact CE2-CD2 3.38Å; Y316-H363 AromaticContact CE2-CG 3.98Å; Y316-H363 HydrophobicContact CG-CB 4.33Å; Y316-H363 AromaticContact CZ-CD2 3.34Å; Y316-H363 AromaticContact CZ-CG 3.34Å; Y316-H363 AromaticContact CZ-ND1 3.96Å; Y316-H363 AromaticContact CZ-NE2 3.99Å; Y316-H363 PolarHBondContact N-O 3.01Å; Y316-H363 PolarHBondContact O-N 3.23Å; Y316-H363 PolarHBondContact OH-CD2 2.89Å; Y316-H363 VanDerWaalsContact OH-CG 3.28Å; Y316-H363 PolarHBondContact OH-ND1 3.08Å; S318-H363 WeakPolarHBondContact CB-NE2 3.34Å; S318-H363 PolarHBondContact OG-NE2 2.74Å; W331-H363 HydrophobicContact CH2-CB 4.11Å; W331-H363 HydrophobicContact CZ3-CB 4.4Å
364I92.4Very high86.8Confident5 Ų556.5 Ų56.53%0.02632%0.317CS..EExtended strand (participates in β ladder)trans-135.2129.7-172.9-56.1-175000109.1L289 C291 C301 F314 F354 I362 V366 G380 F383L289-I364 HydrophobicContact CD2-CB 4.43Å; L289-I364 HydrophobicContact CD2-CG2 3.96Å; C291-I364 HydrophobicContact CB-CD1 4.19Å; C291-I364 WeakPolarHBondContact SG-CD1 3.27Å; C301-I364 WeakPolarHBondContact SG-CD1 3.24Å; F314-I364 WeakPolarHBondContact O-CA 3.25Å; F354-I364 HydrophobicContact CE1-CD1 4.22Å; F354-I364 HydrophobicContact CZ-CD1 4.08Å; I362-I364 HydrophobicContact CG2-CD1 4.23Å; I362-I364 HydrophobicContact CG2-CG1 4.02Å; I364-V366 HydrophobicContact CG2-CG2 4.45Å; I364-G380 PolarHBondContact O-N 2.98Å; I364-F383 HydrophobicContact CD1-CE1 3.63Å; I364-F383 HydrophobicContact CD1-CZ 3.77Å; I364-F383 HydrophobicContact CG1-CE1 4.32Å
365L92.2Very high86.7Confident19 Ų1960 Ų6010%0.09934%0.338CS..EExtended strand (participates in β ladder)trans-124131.6177.8-179.273.4000107.8P281 F314 W331 Y378 L379P281-L365 HydrophobicContact CB-CD1 4.45Å; F314-L365 HydrophobicContact CB-CB 4.38Å; F314-L365 PolarHBondContact N-O 3.24Å; F314-L365 PolarHBondContact O-N 3.31Å; W331-L365 HydrophobicContact CD2-CB 4.2Å; W331-L365 HydrophobicContact CD2-CD2 4.15Å; W331-L365 HydrophobicContact CE3-CB 3.76Å; W331-L365 HydrophobicContact CH2-CB 3.42Å; W331-L365 VanDerWaalsContact CH2-CB 3.42Å; W331-L365 HydrophobicContact CH2-CG 4.47Å; W331-L365 HydrophobicContact CZ2-CB 3.86Å; W331-L365 HydrophobicContact CZ2-CD2 4.1Å; W331-L365 HydrophobicContact CZ2-CG 4.48Å; W331-L365 HydrophobicContact CZ3-CB 3.35Å; L365-Y378 CarbonylContact C-O 3.56Å; L365-Y378 WeakPolarHBondContact CA-O 3.36Å; L365-L379 HydrophobicContact CD1-CB 4.44Å; L365-L379 HydrophobicContact CD1-CD1 4.27Å
366V91.8Very high86.6Confident0 Ų056.8 Ų56.80%033%0.326CS..EExtended strand (participates in β ladder)trans-116.8123.5174.6-177.30000108I287 L289 W303 Q312 I364 V368 Y378I287-V366 HydrophobicContact CD1-CB 3.77Å; I287-V366 HydrophobicContact CD1-CG1 3.81Å; I287-V366 HydrophobicContact CD1-CG2 4.04Å; L289-V366 HydrophobicContact CD1-CG2 4.11Å; L289-V366 HydrophobicContact CD2-CG2 4.41Å; W303-V366 HydrophobicContact CD2-CG1 4.2Å; W303-V366 HydrophobicContact CD2-CG2 4.22Å; W303-V366 HydrophobicContact CE3-CG2 4.21Å; W303-V366 HydrophobicContact CG-CG1 4.45Å; W303-V366 HydrophobicContact CZ2-CG1 4.1Å; W303-V366 HydrophobicContact CZ3-CG2 4.4Å; Q312-V366 WeakPolarHBondContact O-CA 3.39Å; I364-V366 HydrophobicContact CG2-CG2 4.45Å; V366-V368 HydrophobicContact CG1-CG2 4.13Å; V366-Y378 PolarHBondContact N-O 2.84Å; V366-Y378 PolarHBondContact O-N 2.91Å
367E91.8Very high86.8Confident69 Ų6958 Ų5832%0.32233%0.334SS..EExtended strand (participates in β ladder)trans-100.8126.4172.2-65.5-170.1158.800109.3S311 Q312 F314 V375 H376S311-E367 CarbonylContact C-O 3.54Å; S311-E367 VanDerWaalsContact CA-O 3.27Å; S311-E367 WeakPolarHBondContact CA-O 3.44Å; Q312-E367 PolarHBondContact N-O 2.83Å; Q312-E367 PolarHBondContact O-N 2.88Å; F314-E367 HydrophobicContact CD2-CG 4.25Å; F314-E367 HydrophobicContact CE2-CB 4.12Å; F314-E367 HydrophobicContact CE2-CG 3.84Å; E367-V375 HydrophobicContact CB-CG1 4.17Å; E367-H376 CarbonylContact C-O 3.59Å; E367-H376 WeakPolarHBondContact CA-O 3.41Å
368V89.2Confident87.2Confident13 Ų1353.9 Ų53.98%0.07932%0.319CS..EExtended strand (participates in β ladder)trans-114.8115.4178.8-176.20000108.6A309 V366 V375 H376 Y378A309-V368 HydrophobicContact CB-CG1 3.86Å; V366-V368 HydrophobicContact CG1-CG2 4.13Å; V368-V375 WeakPolarHBondContact O-CA 3.46Å; V368-H376 PolarHBondContact N-O 3.01Å; V368-H376 PolarHBondContact O-N 2.97Å; V368-Y378 HydrophobicContact CB-CE2 4.23Å; V368-Y378 HydrophobicContact CG2-CD2 4.03Å; V368-Y378 HydrophobicContact CG2-CE2 3.97Å
369T88.1Confident88Confident51 Ų5147.1 Ų47.131%0.31328%0.283SS..EExtended strand (participates in β ladder)trans-95.3111.4174.9-51.30000108.9A309 R310 A374 V375A309-T369 CarbonylContact C-O 3.58Å; A309-T369 WeakPolarHBondContact CA-O 3.38Å; R310-T369 PolarHBondContact N-O 2.96Å; R310-T369 PolarHBondContact O-N 2.87Å; T369-A374 WeakPolarHBondContact CA-O 3.28Å; T369-V375 HydrophobicContact CG2-CG2 4.2Å
370T85.6Confident88.7Confident34 Ų3440.7 Ų40.721%0.20925%0.249CC..  trans-67.5162.9176.960.90000111.5L372 G373 A374T370-L372 PolarHBondContact O-N 3.26Å; T370-L372 VanDerWaalsContact O-N 3.1Å; T370-G373 WeakPolarHBondContact O-CA 3.37Å; T370-G373 PolarHBondContact O-N 2.85Å; T370-A374 PolarHBondContact N-O 3.23Å; T370-A374 WeakPolarHBondContact OG1-CB 3.31Å; T370-A374 PolarHBondContact OG1-N 3.03Å; T370-A374 VanDerWaalsContact OG1-N 3.14Å; T370-A374 PolarHBondContact OG1-O 2.74Å; T370-A374 VanDerWaalsContact OG1-O 3.04Å
371A80.8Confident89Confident84 Ų8443.7 Ų43.769%0.69427%0.271SS*.THydrogen-bonded Turntrans-58.2-24.4175.600000113.5H308 G373H308-A371 HydrophobicContact CB-CB 4.23Å; A371-G373 PolarHBondContact O-N 3.07Å
372L82.6Confident89.1Confident172 Ų17244.6 Ų44.690%0.90128%0.277SS*.THydrogen-bonded Turntrans-80.8-1.9175.4-64.8169.9000113.1T370 A374T370-L372 PolarHBondContact O-N 3.26Å; T370-L372 VanDerWaalsContact O-N 3.1Å; L372-A374 VanDerWaalsContact C-N 3.34Å
373G82.6Confident89.1Confident50 Ų5045.9 Ų45.952%0.51528%0.283SS..SBendtrans82.63.9-179.500000114.9T370 A371T370-G373 WeakPolarHBondContact O-CA 3.37Å; T370-G373 PolarHBondContact O-N 2.85Å; A371-G373 PolarHBondContact O-N 3.07Å
374A86.3Confident89.1Confident45 Ų4549.4 Ų49.437%0.37230%0.296SS..  trans-75.7132173.700000110.3T369 T370 L372T369-A374 WeakPolarHBondContact CA-O 3.28Å; T370-A374 PolarHBondContact N-O 3.23Å; T370-A374 WeakPolarHBondContact OG1-CB 3.31Å; T370-A374 PolarHBondContact OG1-N 3.03Å; T370-A374 VanDerWaalsContact OG1-N 3.14Å; T370-A374 PolarHBondContact OG1-O 2.74Å; T370-A374 VanDerWaalsContact OG1-O 3.04Å; L372-A374 VanDerWaalsContact C-N 3.34Å
375V88.5Confident89Confident80 Ų8050.3 Ų50.349%0.48530%0.3SS..EExtended strand (participates in β ladder)trans-101123.1179.6-176.30000109.2E367 V368 T369E367-V375 HydrophobicContact CB-CG1 4.17Å; V368-V375 WeakPolarHBondContact O-CA 3.46Å; T369-V375 HydrophobicContact CG2-CG2 4.2Å
376H89.6Confident88.8Confident91 Ų9152.4 Ų52.442%0.42131%0.31SS..EExtended strand (participates in β ladder)trans-113129.3173.6-64.1-69.8000109.6E367 V368 Y378E367-H376 CarbonylContact C-O 3.59Å; E367-H376 WeakPolarHBondContact CA-O 3.41Å; V368-H376 PolarHBondContact N-O 3.01Å; V368-H376 PolarHBondContact O-N 2.97Å; H376-Y378 HydrophobicContact CB-CE2 3.76Å
377S91.9Very high88.7Confident45 Ų4555.9 Ų55.932%0.31533%0.326SS..EExtended strand (participates in β ladder)trans-101.7135.9178.757.50000110.9P281 G282P281-S377 CarbonylContact C-O 3.55Å; P281-S377 WeakPolarHBondContact CA-O 3.48Å; G282-S377 PolarHBondContact N-O 2.91Å
378Y92.4Very high88.7Confident54 Ų5452.9 Ų52.921%0.21231%0.313CS..EExtended strand (participates in β ladder)trans-126.9122-179.4-64.4-88.7000110.1G282 A286 I287 L365 V366 V368 H376G282-Y378 CarbonylContact O-C 3.54Å; G282-Y378 VanDerWaalsContact O-CA 3.32Å; G282-Y378 WeakPolarHBondContact O-CA 3.34Å; A286-Y378 HydrophobicContact CB-CE1 4.32Å; I287-Y378 HydrophobicContact CD1-CD2 4.44Å; I287-Y378 HydrophobicContact CD1-CG 4.29Å; I287-Y378 HydrophobicContact CG2-CD1 4.07Å; I287-Y378 HydrophobicContact CG2-CD2 4.03Å; I287-Y378 HydrophobicContact CG2-CE1 3.99Å; I287-Y378 HydrophobicContact CG2-CE2 3.95Å; I287-Y378 HydrophobicContact CG2-CG 4.08Å; L365-Y378 CarbonylContact C-O 3.56Å; L365-Y378 WeakPolarHBondContact CA-O 3.36Å; V366-Y378 PolarHBondContact N-O 2.84Å; V366-Y378 PolarHBondContact O-N 2.91Å; V368-Y378 HydrophobicContact CB-CE2 4.23Å; V368-Y378 HydrophobicContact CG2-CD2 4.03Å; V368-Y378 HydrophobicContact CG2-CE2 3.97Å; H376-Y378 HydrophobicContact CB-CE2 3.76Å
379L92.8Very high88.8Confident7 Ų752.4 Ų52.44%0.03731%0.31CS..EExtended strand (participates in β ladder)trans-98.8131.5-179-172.468.8000109.9P147 P281 G282 A284 W331 L365P147-L379 HydrophobicContact CG-CB 4.47Å; P147-L379 VanDerWaalsContact CG-O 3.29Å; P147-L379 WeakPolarHBondContact CG-O 3.13Å; P281-L379 HydrophobicContact CB-CB 3.91Å; P281-L379 HydrophobicContact CG-CB 3.69Å; P281-L379 HydrophobicContact CG-CD2 4.08Å; P281-L379 HydrophobicContact CG-CG 4.47Å; G282-L379 PolarHBondContact O-N 3.43Å; A284-L379 WeakPolarHBondContact CB-O 3.5Å; A284-L379 PolarHBondContact N-O 2.98Å; W331-L379 HydrophobicContact CH2-CD1 3.87Å; W331-L379 HydrophobicContact CZ2-CD1 4.28Å; L365-L379 HydrophobicContact CD1-CB 4.44Å; L365-L379 HydrophobicContact CD1-CD1 4.27Å
380G91.4Very high88.9Confident6 Ų653.5 Ų53.56%0.06231%0.308CS..PPolyproline II helixtrans-84.3153.2171.900000112I364I364-G380 PolarHBondContact O-N 2.98Å
381S90.3Very high89Confident73 Ų7352.2 Ų52.251%0.5130%0.3SS..PPolyproline II helixtrans-62.6135.5169.2-660000110.2
382P90.4Very high89.2Confident34 Ų3451.5 Ų51.522%0.22129%0.289CS..PPolyproline II helixtrans-69.2146179.827.2-33.1000111.6Q146 V361 I362Q146-P382 HydrophobicContact CG-CG 3.78Å; V361-P382 HydrophobicContact CG1-CB 3.6Å; I362-P382 WeakPolarHBondContact O-CA 3.41Å
383F90.3Very high89.4Confident28 Ų2846.1 Ų46.112%0.12326%0.263CS..EExtended strand (participates in β ladder)trans-146.7158.1178.961.6-87000111.5C291 V299 I362 I364 A388C291-F383 HydrophobicContact CB-CE1 3.83Å; C291-F383 HydrophobicContact CB-CE2 4.4Å; C291-F383 HydrophobicContact CB-CZ 3.52Å; V299-F383 HydrophobicContact CG1-CE2 4.31Å; V299-F383 HydrophobicContact CG1-CZ 4.13Å; I362-F383 HydrophobicContact CB-CE2 4.33Å; I362-F383 HydrophobicContact CB-CZ 4.32Å; I362-F383 HydrophobicContact CD1-CE2 4.01Å; I362-F383 HydrophobicContact CG2-CE1 4.46Å; I362-F383 HydrophobicContact CG2-CZ 4.1Å; I362-F383 PolarHBondContact N-O 3.27Å; I362-F383 PolarHBondContact O-N 3.28Å; I364-F383 HydrophobicContact CD1-CE1 3.63Å; I364-F383 HydrophobicContact CD1-CZ 3.77Å; I364-F383 HydrophobicContact CG1-CE1 4.32Å; F383-A388 HydrophobicContact CD2-CB 3.65Å; F383-A388 HydrophobicContact CE2-CB 3.73Å
384W90.1Very high89.5Confident77 Ų7743.9 Ų43.929%0.29224%0.239SC..EExtended strand (participates in β ladder)trans-90.3149.7169.3-59.479000110A320 V361 H386 Q387A320-W384 HydrophobicContact CB-CH2 4.11Å; A320-W384 HydrophobicContact CB-CZ2 4.11Å; V361-W384 HydrophobicContact CG2-CD2 4Å; V361-W384 VanDerWaalsContact CG2-CE2 3.49Å; V361-W384 HydrophobicContact CG2-CE3 4.34Å; V361-W384 HydrophobicContact CG2-CH2 3.84Å; V361-W384 HydrophobicContact CG2-CZ2 3.41Å; V361-W384 VanDerWaalsContact CG2-CZ2 3.41Å; V361-W384 HydrophobicContact CG2-CZ3 4.27Å; W384-H386 WeakPolarHBondContact CB-CE1 3.38Å; W384-H386 AromaticContact CG-CE1 3.67Å; W384-H386 PolarHBondContact O-N 3.22Å; W384-H386 VanDerWaalsContact O-N 3.17Å; W384-Q387 HydrophobicContact CB-CG 4.08Å; W384-Q387 VanDerWaalsContact N-OE1 3.14Å; W384-Q387 WeakPolarHBondContact O-CA 3.43Å; W384-Q387 WeakPolarHBondContact O-CB 3.45Å; W384-Q387 PolarHBondContact O-N 2.88Å
385I91.1Very high89.4Confident25 Ų2546.6 Ų46.613%0.12825%0.248CC..G310 helixtrans-56.7-37.1-178.6-173.4156.9000113.4T293 L296 V299 I362 Q387 A388T293-I385 HydrophobicContact CG2-CD1 4.42Å; T293-I385 HydrophobicContact CG2-CG1 3.78Å; L296-I385 HydrophobicContact CD2-CG1 4.34Å; L296-I385 VanDerWaalsContact O-CD1 3.25Å; L296-I385 WeakPolarHBondContact O-CD1 3.3Å; V299-I385 HydrophobicContact CG2-CD1 3.9Å; V299-I385 HydrophobicContact CG2-CG1 4.29Å; I362-I385 HydrophobicContact CD1-CB 4.3Å; I385-Q387 PolarHBondContact O-N 3.17Å; I385-A388 PolarHBondContact O-N 2.86Å
386H87.4Confident89.4Confident63 Ų6343.9 Ų43.929%0.29223%0.23SC..G310 helixtrans-69.8-11.417862.5-98.3000113.4W384 T469 Y470 Q471W384-H386 WeakPolarHBondContact CB-CE1 3.38Å; W384-H386 AromaticContact CG-CE1 3.67Å; W384-H386 PolarHBondContact O-N 3.22Å; W384-H386 VanDerWaalsContact O-N 3.17Å; H386-T469 PolarHBondContact CD2-O 2.87Å; H386-Y470 HydrophobicContact CB-CD1 3.65Å; H386-Y470 HydrophobicContact CB-CE1 3.86Å; H386-Y470 CarbonylContact O-C 3.58Å; H386-Y470 VanDerWaalsContact O-CA 3.31Å; H386-Y470 WeakPolarHBondContact O-CA 3.25Å; H386-Q471 PolarHBondContact O-N 3.26Å; H386-Q471 VanDerWaalsContact O-O 3.05Å
387Q90.1Very high89.4Confident72 Ų7244 Ų4434%0.33623%0.231SC..G310 helixtrans-95-5.5177.7-62.1173.9-22.700113.8W384 I385 Q471 G472W384-Q387 HydrophobicContact CB-CG 4.08Å; W384-Q387 VanDerWaalsContact N-OE1 3.14Å; W384-Q387 WeakPolarHBondContact O-CA 3.43Å; W384-Q387 WeakPolarHBondContact O-CB 3.45Å; W384-Q387 PolarHBondContact O-N 2.88Å; I385-Q387 PolarHBondContact O-N 3.17Å; Q387-Q471 CarbonylContact C-O 3.48Å; Q387-Q471 WeakPolarHBondContact CA-O 3.42Å; Q387-Q471 HydrophobicContact CB-CB 4.44Å; Q387-Q471 CarbonylContact O-C 3.44Å; Q387-Q471 VanDerWaalsContact O-C 3.27Å; Q387-G472 WeakPolarHBondContact O-CA 2.86Å
388A91.7Very high89.2Confident6 Ų646.6 Ų46.65%0.0523%0.234CC..SBendtrans-118.626.8-177.200000112.3F292 T293 F383 I385 R390 Q471F292-A388 CarbonylContact C-O 3.57Å; F292-A388 WeakPolarHBondContact CA-O 3.43Å; F292-A388 WeakPolarHBondContact CB-O 3.4Å; T293-A388 PolarHBondContact N-O 2.84Å; F383-A388 HydrophobicContact CD2-CB 3.65Å; F383-A388 HydrophobicContact CE2-CB 3.73Å; I385-A388 PolarHBondContact O-N 2.86Å; A388-R390 PolarHBondContact O-N 3.37Å; A388-Q471 PolarHBondContact N-O 2.74Å
389V90.7Very high89Confident4 Ų449.8 Ų49.82%0.02425%0.245CC..BIsolated β-bridgetrans-78.5116.3-175.1-173.50000110.6T293 L296 W416 L465 Y470 Q471 G472T293-V389 HydrophobicContact CG2-CB 4.46Å; T293-V389 HydrophobicContact CG2-CG2 4.02Å; T293-V389 WeakPolarHBondContact O-CA 3.33Å; L296-V389 HydrophobicContact CD2-CG2 3.44Å; L296-V389 VanDerWaalsContact CD2-CG2 3.44Å; L296-V389 HydrophobicContact CG-CG2 4.26Å; V389-W416 HydrophobicContact CG1-CH2 4.45Å; V389-L465 HydrophobicContact CB-CD1 3.78Å; V389-L465 HydrophobicContact CG1-CD1 3.63Å; V389-Y470 HydrophobicContact CG2-CD1 4.15Å; V389-Q471 PolarHBondContact N-O 3.32Å; V389-G472 WeakPolarHBondContact O-CA 3.48Å
390R90.4Very high88.6Confident74 Ų7452.1 Ų52.128%0.27926%0.256SS..  trans-96.1114.3174.9-171.9174.678.4-178.14110.1F292 T293 L294 A388 P473F292-R390 HydrophobicContact CB-CB 3.76Å; F292-R390 HydrophobicContact CD2-CB 4.06Å; F292-R390 HydrophobicContact CG-CB 4.09Å; T293-R390 PolarHBondContact O-N 3.11Å; L294-R390 HydrophobicContact CD2-CB 4.1Å; L294-R390 VanDerWaalsContact CD2-O 3.24Å; L294-R390 WeakPolarHBondContact CD2-O 3.36Å; A388-R390 PolarHBondContact O-N 3.37Å; R390-P473 HydrophobicContact CB-CG 4.08Å; R390-P473 HydrophobicContact CG-CG 4.31Å
391L87.4Confident88.2Confident7 Ų756.7 Ų56.74%0.03728%0.278CS..PPolyproline II helixtrans-69.4146173.4-67.6178.7000111T421 A463 L465 S475L391-T421 HydrophobicContact CD1-CG2 3.8Å; L391-A463 HydrophobicContact CD1-CB 4.01Å; L391-L465 HydrophobicContact CD1-CD2 4.4Å; L391-L465 HydrophobicContact CD1-CG 3.92Å; L391-L465 HydrophobicContact CD2-CD1 3.9Å; L391-L465 HydrophobicContact CD2-CG 4.17Å; L391-L465 HydrophobicContact CG-CD1 4.12Å; L391-L465 HydrophobicContact CG-CG 4Å; L391-S475 WeakPolarHBondContact O-CB 2.92Å
392P84.8Confident87.5Confident69 Ų6955.8 Ų55.845%0.44827%0.271SS..PPolyproline II helixtrans-65.9159.1169.429.9-33.4000110.3P413P392-P413 HydrophobicContact CG-CB 3.57Å; P392-P413 HydrophobicContact CG-CG 3.56Å
393T86.8Confident86.9Confident59 Ų5955.1 Ų55.136%0.36227%0.268SS..PPolyproline II helixtrans-57.7125.5177.846.60000110.7S476T393-S476 WeakPolarHBondContact CG2-OG 3.49Å
394P85.5Confident86.4Confident3 Ų353.9 Ų53.92%0.01926%0.262CS..PPolyproline II helixtrans-71.3143.4179.829.7-34.7000111Y423 L461 A463P394-Y423 HydrophobicContact CB-CE1 4.22Å; P394-L461 HydrophobicContact CB-CD2 3.9Å; P394-L461 HydrophobicContact CB-CG 4.45Å; P394-L461 HydrophobicContact CG-CB 4.18Å; P394-L461 HydrophobicContact CG-CD2 3.76Å; P394-L461 HydrophobicContact CG-CG 3.76Å; P394-A463 HydrophobicContact CG-CB 4.2Å
395N84.9Confident86.1Confident102 Ų10253.4 Ų53.455%0.54526%0.264SS..EExtended strand (participates in β ladder)trans-83.2115.7173-68.6-37.4000109.4W410N395-W410 WeakPolarHBondContact O-CA 3.14Å; N395-W410 WeakPolarHBondContact O-CB 3.43Å
396L88.3Confident86Confident22 Ų2252.2 Ų52.212%0.11526%0.257CS..EExtended strand (participates in β ladder)trans-91.1115.8177.4177.765.7000109.8L408 W410 L425 L459 L461 A481L396-L408 HydrophobicContact CD1-CB 4.37Å; L396-W410 HydrophobicContact CD1-CE3 4.16Å; L396-L425 HydrophobicContact CD2-CD1 4.22Å; L396-L459 HydrophobicContact CD2-CB 3.87Å; L396-L461 HydrophobicContact CB-CB 4.24Å; L396-L461 HydrophobicContact CB-CD2 4.43Å; L396-L461 HydrophobicContact CD1-CD2 4.22Å; L396-L461 HydrophobicContact CD2-CB 4.4Å; L396-A481 HydrophobicContact CD2-CB 4.2Å
397H88.7Confident86.1Confident94 Ų9450.9 Ų50.944%0.43525%0.251SS..EExtended strand (participates in β ladder)trans-106.4150.5169.1-61.5-72.4000110E409H397-E409 CarbonylContact C-O 3.56Å; H397-E409 WeakPolarHBondContact CA-O 3.46Å; H397-E409 WeakPolarHBondContact CB-O 3.39Å; H397-E409 PolarHBondContact N-O 2.74Å; H397-E409 PolarHBondContact O-N 2.89Å
398W88.6Confident86.1Confident100 Ų10047.4 Ų47.438%0.37924%0.235SC..EExtended strand (participates in β ladder)trans-146.7150179.363.3-91.1000111.1L406 E407 L408 R482 V483W398-L406 HydrophobicContact CE3-CD2 3.7Å; W398-L406 HydrophobicContact CZ3-CD2 4.09Å; W398-E407 CarbonylContact C-O 3.46Å; W398-E407 WeakPolarHBondContact CA-O 3.48Å; W398-L408 HydrophobicContact CB-CD2 3.67Å; W398-R482 WeakPolarHBondContact CZ2-O 3.38Å; W398-V483 HydrophobicContact CD2-CG1 4.48Å; W398-V483 HydrophobicContact CD2-CG2 3.72Å; W398-V483 HydrophobicContact CE3-CG1 4.12Å; W398-V483 HydrophobicContact CE3-CG2 4.19Å; W398-V483 HydrophobicContact CG-CG2 4.1Å; W398-V483 HydrophobicContact CH2-CB 4.45Å; W398-V483 HydrophobicContact CH2-CG1 4.06Å; W398-V483 HydrophobicContact CH2-CG2 4.3Å; W398-V483 HydrophobicContact CZ2-CB 4.36Å; W398-V483 HydrophobicContact CZ2-CG1 4.43Å; W398-V483 HydrophobicContact CZ2-CG2 3.85Å; W398-V483 HydrophobicContact CZ3-CG1 3.9Å; W398-V483 HydrophobicContact CZ3-CG2 4.46Å
399R87Confident85.9Confident121 Ų12151.2 Ų51.246%0.45725%0.252SS..EExtended strand (participates in β ladder)trans-137.9142.4169.461.8177.1-178.9-113.7-1.6109.8E407 E409R399-E407 HydrophobicContact CG-CB 3.74Å; R399-E407 IonicContact CZ-OE1 3.51Å; R399-E407 IonicContact CZ-OE2 3.08Å; R399-E407 PolarHBondContact N-O 2.85Å; R399-E407 IonicContact NE-OE2 2.77Å; R399-E407 PolarHBondContact NE-OE2 2.9Å; R399-E407 IonicContact NH2-OE1 3.23Å; R399-E407 PolarHBondContact NH2-OE1 2.84Å; R399-E407 IonicContact NH2-OE2 3.73Å; R399-E407 PolarHBondContact NH2-OE2 2.85Å; R399-E407 PolarHBondContact O-N 2.85Å; R399-E409 IonicContact CZ-OE1 3.68Å; R399-E409 VanDerWaalsContact CZ-OE1 3.23Å; R399-E409 IonicContact NH1-OE1 3.03Å; R399-E409 PolarHBondContact NH1-OE1 3.36Å; R399-E409 IonicContact NH1-OE2 3.39Å; R399-E409 IonicContact NH2-OE1 2.87Å; R399-E409 PolarHBondContact NH2-OE1 3.23Å; R399-E409 VanDerWaalsContact NH2-OE1 3.08Å
400E84.8Confident85.7Confident55 Ų5551.4 Ų51.426%0.25725%0.252SS..EExtended strand (participates in β ladder)trans-86.3121.2173.2-170.9171.9-160.600109.2S402 G404 L406 T485 A486E400-S402 VanDerWaalsContact CG-O 3.31Å; E400-S402 WeakPolarHBondContact CG-O 3.27Å; E400-G404 PolarHBondContact OE1-N 2.83Å; E400-L406 HydrophobicContact CB-CD2 4.06Å; E400-L406 HydrophobicContact CG-CD2 4.42Å; E400-T485 WeakPolarHBondContact OE1-CA 3.49Å; E400-A486 VanDerWaalsContact CD-N 3.28Å; E400-A486 PolarHBondContact OE1-N 2.87Å; E400-A486 VanDerWaalsContact OE2-CB 3.27Å; E400-A486 WeakPolarHBondContact OE2-CB 3.29Å; E400-A486 PolarHBondContact OE2-N 3.03Å
401I82.9Confident84.8Confident103 Ų10354.2 Ų54.253%0.52827%0.269SS..EExtended strand (participates in β ladder)trans-89.9-43.2-179.7-53.1157.7000110.4H405 E407 T448I401-H405 PolarHBondContact N-O 3.33Å; I401-E407 HydrophobicContact CD1-CB 3.57Å; I401-E407 HydrophobicContact CD1-CG 3.9Å; I401-E407 WeakPolarHBondContact CD1-OE2 3.49Å; I401-E407 HydrophobicContact CG1-CB 3.83Å; I401-E407 WeakPolarHBondContact CG1-OE2 3.19Å; I401-T448 HydrophobicContact CD1-CG2 4.37Å
402S76.1Confident84Confident53 Ų5355.6 Ų55.637%0.37127%0.274SS..EExtended strand (participates in β ladder)trans-145.6164.1176.768.80000109.1E400 G404 H405E400-S402 VanDerWaalsContact CG-O 3.31Å; E400-S402 WeakPolarHBondContact CG-O 3.27Å; S402-G404 PolarHBondContact O-N 3.11Å; S402-H405 PolarHBondContact O-N 2.89Å; S402-H405 VanDerWaalsContact OG-CB 3.31Å; S402-H405 WeakPolarHBondContact OG-CB 3.33Å; S402-H405 VanDerWaalsContact OG-CG 3.27Å; S402-H405 PolarHBondContact OG-ND1 2.9Å
403S78.4Confident83.3Confident21 Ų2155.2 Ų55.215%0.14727%0.272CS..THydrogen-bonded Turntrans-54113.5-172.557.10000111.6H405 A486 E488S403-H405 VanDerWaalsContact C-N 3.33Å; S403-H405 PolarHBondContact O-ND1 2.86Å; S403-A486 WeakPolarHBondContact CB-O 3.35Å; S403-E488 VanDerWaalsContact OG-CD 3.27Å; S403-E488 VanDerWaalsContact OG-CG 3.28Å; S403-E488 WeakPolarHBondContact OG-CG 3.47Å
404G78.4Confident82.5Confident1 Ų154.2 Ų54.21%0.0127%0.267CS..THydrogen-bonded Turntrans82.8-5.7-177.300000115.9E400 S402 E450 L451E400-G404 PolarHBondContact OE1-N 2.83Å; S402-G404 PolarHBondContact O-N 3.11Å; G404-E450 CarbonylContact O-C 3.59Å; G404-E450 WeakPolarHBondContact O-CA 3.1Å; G404-L451 WeakPolarHBondContact CA-O 3.44Å; G404-L451 PolarHBondContact O-N 2.8Å
405H85.1Confident81.8Confident68 Ų6859.6 Ų59.632%0.31531%0.305SS..EExtended strand (participates in β ladder)trans-102.1113.6176.3-64.466.4000110.6I401 S402 S403 E450I401-H405 PolarHBondContact N-O 3.33Å; S402-H405 PolarHBondContact O-N 2.89Å; S402-H405 VanDerWaalsContact OG-CB 3.31Å; S402-H405 WeakPolarHBondContact OG-CB 3.33Å; S402-H405 VanDerWaalsContact OG-CG 3.27Å; S402-H405 PolarHBondContact OG-ND1 2.9Å; S403-H405 VanDerWaalsContact C-N 3.33Å; S403-H405 PolarHBondContact O-ND1 2.86Å; H405-E450 IonicContact CD2-OE1 2.82Å; H405-E450 IonicContact NE2-OE1 3.75Å; H405-E450 PolarHBondContact NE2-OE1 2.83Å
406L87.8Confident81.4Confident0 Ų060.8 Ų60.80%030%0.302CS..EExtended strand (participates in β ladder)trans-103129.3-179.8-64.5160.8000110W398 E400 L408 T448 L449 L451 V483W398-L406 HydrophobicContact CE3-CD2 3.7Å; W398-L406 HydrophobicContact CZ3-CD2 4.09Å; E400-L406 HydrophobicContact CB-CD2 4.06Å; E400-L406 HydrophobicContact CG-CD2 4.42Å; L406-L408 HydrophobicContact CB-CD2 4.28Å; L406-T448 CarbonylContact O-C 3.57Å; L406-T448 VanDerWaalsContact O-CA 3.29Å; L406-T448 WeakPolarHBondContact O-CA 3.5Å; L406-L449 HydrophobicContact CB-CB 4.47Å; L406-L449 PolarHBondContact N-O 2.96Å; L406-L449 PolarHBondContact O-N 2.78Å; L406-L451 HydrophobicContact CD1-CD1 3.3Å; L406-L451 HydrophobicContact CD1-CG 3.95Å; L406-V483 HydrophobicContact CD1-CB 4.49Å; L406-V483 HydrophobicContact CD1-CG1 3.64Å; L406-V483 HydrophobicContact CD2-CG1 3.53Å; L406-V483 HydrophobicContact CG-CG1 4.21Å
407E89.4Confident80.8Confident34 Ų3459.8 Ų59.816%0.15930%0.297CS..EExtended strand (participates in β ladder)trans-88.3124.7161.6-148.1167.9173.200108.6W398 R399 I401 T448W398-E407 CarbonylContact C-O 3.46Å; W398-E407 WeakPolarHBondContact CA-O 3.48Å; R399-E407 HydrophobicContact CG-CB 3.74Å; R399-E407 IonicContact CZ-OE1 3.51Å; R399-E407 IonicContact CZ-OE2 3.08Å; R399-E407 PolarHBondContact N-O 2.85Å; R399-E407 IonicContact NE-OE2 2.77Å; R399-E407 PolarHBondContact NE-OE2 2.9Å; R399-E407 IonicContact NH2-OE1 3.23Å; R399-E407 PolarHBondContact NH2-OE1 2.84Å; R399-E407 IonicContact NH2-OE2 3.73Å; R399-E407 PolarHBondContact NH2-OE2 2.85Å; R399-E407 PolarHBondContact O-N 2.85Å; I401-E407 HydrophobicContact CD1-CB 3.57Å; I401-E407 HydrophobicContact CD1-CG 3.9Å; I401-E407 WeakPolarHBondContact CD1-OE2 3.49Å; I401-E407 HydrophobicContact CG1-CB 3.83Å; I401-E407 WeakPolarHBondContact CG1-OE2 3.19Å; E407-T448 HydrophobicContact CG-CG2 4.49Å
408L90.2Very high80.1Confident0 Ų055.9 Ų55.90%028%0.281CS..EExtended strand (participates in β ladder)trans-107129.1177.4-54.2178.1000107.6L396 W398 L406 W410 L425 G446 G447 L449 L459L396-L408 HydrophobicContact CD1-CB 4.37Å; W398-L408 HydrophobicContact CB-CD2 3.67Å; L406-L408 HydrophobicContact CB-CD2 4.28Å; L408-W410 HydrophobicContact CB-CE3 4.27Å; L408-W410 HydrophobicContact CB-CZ3 3.93Å; L408-L425 HydrophobicContact CD1-CD1 4.34Å; L408-L425 HydrophobicContact CD1-CD2 3.34Å; L408-L425 HydrophobicContact CD1-CG 4.49Å; L408-G446 CarbonylContact O-C 3.42Å; L408-G446 WeakPolarHBondContact O-CA 2.99Å; L408-G447 PolarHBondContact N-O 3.18Å; L408-G447 PolarHBondContact O-N 3.46Å; L408-L449 HydrophobicContact CD1-CB 3.89Å; L408-L449 HydrophobicContact CD1-CD2 4.23Å; L408-L449 HydrophobicContact CG-CB 4.39Å; L408-L459 HydrophobicContact CD1-CD2 4.34Å; L408-L459 HydrophobicContact CD2-CD2 4.05Å
409E88.1Confident79.6Confident86 Ų8659.4 Ų59.440%0.40230%0.302SS..EExtended strand (participates in β ladder)trans-128.4134.9174.9-70.9178.9-174.800108.1H397 R399H397-E409 CarbonylContact C-O 3.56Å; H397-E409 WeakPolarHBondContact CA-O 3.46Å; H397-E409 WeakPolarHBondContact CB-O 3.39Å; H397-E409 PolarHBondContact N-O 2.74Å; H397-E409 PolarHBondContact O-N 2.89Å; R399-E409 IonicContact CZ-OE1 3.68Å; R399-E409 VanDerWaalsContact CZ-OE1 3.23Å; R399-E409 IonicContact NH1-OE1 3.03Å; R399-E409 PolarHBondContact NH1-OE1 3.36Å; R399-E409 IonicContact NH1-OE2 3.39Å; R399-E409 IonicContact NH2-OE1 2.87Å; R399-E409 PolarHBondContact NH2-OE1 3.23Å; R399-E409 VanDerWaalsContact NH2-OE1 3.08Å
410W86Confident79.3Confident7 Ų755.5 Ų55.53%0.02729%0.289CS..EExtended strand (participates in β ladder)trans-134.7139.2175.453.579.9000110.7N395 L396 L408 Y423 P440 A444 R445 L461 W632N395-W410 WeakPolarHBondContact O-CA 3.14Å; N395-W410 WeakPolarHBondContact O-CB 3.43Å; L396-W410 HydrophobicContact CD1-CE3 4.16Å; L408-W410 HydrophobicContact CB-CE3 4.27Å; L408-W410 HydrophobicContact CB-CZ3 3.93Å; W410-Y423 AromaticContact CD1-CE1 3.57Å; W410-Y423 AromaticContact CD1-CE2 3.87Å; W410-Y423 AromaticContact CD1-CZ 3.43Å; W410-Y423 VanDerWaalsContact CD1-CZ 3.43Å; W410-Y423 HydrophobicContact CG-CE1 4.4Å; W410-Y423 HydrophobicContact CZ2-CD2 4.3Å; W410-Y423 HydrophobicContact CZ2-CG 4.34Å; W410-Y423 AromaticContact NE1-CD1 3.84Å; W410-Y423 AromaticContact NE1-CD2 3.47Å; W410-Y423 AromaticContact NE1-CE1 3.66Å; W410-Y423 AromaticContact NE1-CE2 3.27Å; W410-Y423 VanDerWaalsContact NE1-CE2 3.27Å; W410-Y423 AromaticContact NE1-CG 3.73Å; W410-Y423 AromaticContact NE1-CZ 3.35Å; W410-P440 HydrophobicContact CH2-CB 4.12Å; W410-P440 HydrophobicContact CH2-CG 3.8Å; W410-P440 HydrophobicContact CZ2-CB 4.11Å; W410-P440 HydrophobicContact CZ2-CG 4.08Å; W410-A444 HydrophobicContact CZ2-CB 3.85Å; W410-A444 PolarHBondContact NE1-O 2.84Å; W410-R445 PolarHBondContact N-O 2.73Å; W410-L461 HydrophobicContact CB-CD2 3.55Å; W410-L461 HydrophobicContact CD2-CD2 3.77Å; W410-L461 HydrophobicContact CE3-CD2 4.03Å; W410-L461 HydrophobicContact CG-CD2 3.58Å; W410-W632 HydrophobicContact CH2-CE3 4.18Å; W410-W632 AromaticContact CH2-CZ3 3.63Å; W410-W632 HydrophobicContact CH2-CZ3 3.63Å; W410-W632 HydrophobicContact CZ3-CZ3 4.25Å
411Q72.4Confident79.3Confident134 Ų13452.9 Ų52.963%0.62628%0.277SS*.EExtended strand (participates in β ladder)trans-89128.4-179.8-64.9-179.211.100109.5
412H70.5Confident79.6Confident35 Ų3549.1 Ų49.116%0.16226%0.259CS..  trans-74.7126172.4-165.5-71.1000109S414 A417 A418 T421 Y423H412-S414 PolarHBondContact CE1-O 2.93Å; H412-S414 PolarHBondContact ND1-N 3.45Å; H412-S414 PolarHBondContact ND1-O 3.33Å; H412-S414 PolarHBondContact O-N 2.95Å; H412-S414 VanDerWaalsContact O-N 3.13Å; H412-A417 VanDerWaalsContact CE1-CB 3.42Å; H412-A417 WeakPolarHBondContact CE1-CB 3.32Å; H412-A418 HydrophobicContact CB-CB 4.09Å; H412-A418 VanDerWaalsContact CD2-CA 3.46Å; H412-A418 WeakPolarHBondContact CD2-CA 3.44Å; H412-T421 WeakPolarHBondContact NE2-CB 3.4Å; H412-T421 PolarHBondContact NE2-OG1 2.94Å; H412-Y423 PolarHBondContact CD2-OH 2.79Å
413P69.1Low80.2Confident62 Ų6246.8 Ų46.840%0.40324%0.242SC..SBendtrans-57.3-31.4-176.2-22.629.8000113.8P392P392-P413 HydrophobicContact CG-CB 3.57Å; P392-P413 HydrophobicContact CG-CG 3.56Å
414S71.1Confident80.8Confident37 Ų3746.6 Ų46.626%0.25924%0.239SC..  trans-136.4124.5-174.8-54.60000112.5H412 W416 A417H412-S414 PolarHBondContact CE1-O 2.93Å; H412-S414 PolarHBondContact ND1-N 3.45Å; H412-S414 PolarHBondContact ND1-O 3.33Å; H412-S414 PolarHBondContact O-N 2.95Å; H412-S414 VanDerWaalsContact O-N 3.13Å; S414-W416 VanDerWaalsContact C-N 3.29Å; S414-W416 PolarHBondContact O-N 2.03Å; S414-A417 PolarHBondContact O-N 3.45Å
415S70.9Confident81.4Confident117 Ų11746.6 Ų46.682%0.81824%0.239SC*.G310 helixtrans-60.8-33.1-177.552.90000114.3A417S415-A417 VanDerWaalsContact C-N 3.31Å; S415-A417 PolarHBondContact O-N 2.95Å
416W75.6Confident81.8Confident126 Ų12645.8 Ų45.848%0.47723%0.233SC..G310 helixtrans-67.5-26.8-178.565.3-99000114.2L296 V389 S414 L465 Y470L296-W416 HydrophobicContact CD1-CH2 4.2Å; L296-W416 HydrophobicContact CD1-CZ2 4.38Å; V389-W416 HydrophobicContact CG1-CH2 4.45Å; S414-W416 VanDerWaalsContact C-N 3.29Å; S414-W416 PolarHBondContact O-N 2.03Å; W416-L465 HydrophobicContact CH2-CD1 4.15Å; W416-L465 HydrophobicContact CZ3-CD1 4.44Å; W416-Y470 HydrophobicContact CE3-CD2 4.11Å; W416-Y470 AromaticContact CE3-CE2 3.95Å; W416-Y470 HydrophobicContact CE3-CE2 3.95Å; W416-Y470 HydrophobicContact CH2-CD1 4.33Å; W416-Y470 HydrophobicContact CH2-CE1 4.49Å; W416-Y470 HydrophobicContact CH2-CG 4.36Å; W416-Y470 HydrophobicContact CZ3-CD1 4.03Å; W416-Y470 AromaticContact CZ3-CD2 3.52Å; W416-Y470 HydrophobicContact CZ3-CD2 3.52Å; W416-Y470 HydrophobicContact CZ3-CE1 4.16Å; W416-Y470 AromaticContact CZ3-CE2 3.65Å; W416-Y470 HydrophobicContact CZ3-CE2 3.65Å; W416-Y470 AromaticContact CZ3-CG 3.71Å; W416-Y470 HydrophobicContact CZ3-CG 3.71Å; W416-Y470 AromaticContact CZ3-CZ 3.98Å
417A75.6Confident81.9Confident1 Ų146.7 Ų46.71%0.00824%0.236CC..G310 helixtrans-97.9-7.1-174.400000112.9H412 S414 S415 Q419 E420 T421 L465H412-A417 VanDerWaalsContact CE1-CB 3.42Å; H412-A417 WeakPolarHBondContact CE1-CB 3.32Å; S414-A417 PolarHBondContact O-N 3.45Å; S415-A417 VanDerWaalsContact C-N 3.31Å; S415-A417 PolarHBondContact O-N 2.95Å; A417-Q419 VanDerWaalsContact C-N 3.32Å; A417-Q419 PolarHBondContact O-N 3.46Å; A417-E420 PolarHBondContact O-N 3.17Å; A417-T421 PolarHBondContact O-N 3.32Å; A417-T421 PolarHBondContact O-OG1 3.12Å; A417-L465 HydrophobicContact CB-CD1 4.45Å; A417-L465 HydrophobicContact CB-CD2 3.67Å
418A74.5Confident82.1Confident13 Ų1345.3 Ų45.311%0.10723%0.23CC..G310 helixtrans-62.1-33.9-168.100000114.5H412 G443H412-A418 HydrophobicContact CB-CB 4.09Å; H412-A418 VanDerWaalsContact CD2-CA 3.46Å; H412-A418 WeakPolarHBondContact CD2-CA 3.44Å; A418-G443 WeakPolarHBondContact O-CA 3.43Å
419Q76.8Confident81.9Confident174 Ų17446 Ų4681%0.81324%0.238SC*.G310 helixtrans-77.6-26.2-178.2-66.4-179-1000113.1A417A417-Q419 VanDerWaalsContact C-N 3.32Å; A417-Q419 PolarHBondContact O-N 3.46Å
420E80.8Confident81.7Confident39 Ų3946.1 Ų46.118%0.18224%0.238CC..G310 helixtrans-99.36.7-176.7-64.6-170.4174.400112.6A417 L465 N466 T469 Y470A417-E420 PolarHBondContact O-N 3.17Å; E420-L465 HydrophobicContact CB-CD2 4.24Å; E420-N466 PolarHBondContact O-N 3.39Å; E420-T469 WeakPolarHBondContact OE1-CB 3.36Å; E420-T469 PolarHBondContact OE1-OG1 3.05Å; E420-Y470 PolarHBondContact OE2-N 3.33Å; E420-Y470 VanDerWaalsContact OE2-N 3.09Å
421T85.6Confident81.2Confident0 Ų049.2 Ų49.20%027%0.273CS..EExtended strand (participates in β ladder)trans-92.9125.9-177.2-66.80000112L391 H412 A417 Y423 G443 A463 R464 L465L391-T421 HydrophobicContact CD1-CG2 3.8Å; H412-T421 WeakPolarHBondContact NE2-CB 3.4Å; H412-T421 PolarHBondContact NE2-OG1 2.94Å; A417-T421 PolarHBondContact O-N 3.32Å; A417-T421 PolarHBondContact O-OG1 3.12Å; T421-Y423 HydrophobicContact CG2-CD1 4.5Å; T421-Y423 HydrophobicContact CG2-CD2 4.12Å; T421-Y423 HydrophobicContact CG2-CE1 4.09Å; T421-Y423 HydrophobicContact CG2-CE2 3.66Å; T421-G443 PolarHBondContact O-N 3.13Å; T421-A463 HydrophobicContact CG2-CB 3.94Å; T421-R464 CarbonylContact C-O 3.5Å; T421-R464 WeakPolarHBondContact CA-O 3.37Å; T421-L465 WeakPolarHBondContact OG1-CD2 3.02Å
422C88.6Confident81.6Confident23 Ų2348.9 Ų48.916%0.15527%0.271CS..EExtended strand (participates in β ladder)trans-90137.3164.5-69.30000109.8L442 A463 R464 N466 W474C422-L442 WeakPolarHBondContact SG-CD2 3.45Å; C422-A463 CarbonylContact O-C 3.6Å; C422-A463 WeakPolarHBondContact O-CA 3.45Å; C422-R464 HydrophobicContact CB-CG 3.99Å; C422-R464 PolarHBondContact N-O 2.9Å; C422-R464 PolarHBondContact O-N 3.21Å; C422-N466 HydrophobicContact CB-CB 4.48Å; C422-N466 VanDerWaalsContact SG-CB 3.59Å; C422-W474 HydrophobicContact CB-CH2 4.43Å
423Y88.3Confident81.9Confident4 Ų455.7 Ų55.72%0.01630%0.303CS..EExtended strand (participates in β ladder)trans-107.9154.4171.6-69.7-80.9000110.5P394 W410 H412 T421 P440 A444 L461 R462 A463P394-Y423 HydrophobicContact CB-CE1 4.22Å; W410-Y423 AromaticContact CD1-CE1 3.57Å; W410-Y423 AromaticContact CD1-CE2 3.87Å; W410-Y423 AromaticContact CD1-CZ 3.43Å; W410-Y423 VanDerWaalsContact CD1-CZ 3.43Å; W410-Y423 HydrophobicContact CG-CE1 4.4Å; W410-Y423 HydrophobicContact CZ2-CD2 4.3Å; W410-Y423 HydrophobicContact CZ2-CG 4.34Å; W410-Y423 AromaticContact NE1-CD1 3.84Å; W410-Y423 AromaticContact NE1-CD2 3.47Å; W410-Y423 AromaticContact NE1-CE1 3.66Å; W410-Y423 AromaticContact NE1-CE2 3.27Å; W410-Y423 VanDerWaalsContact NE1-CE2 3.27Å; W410-Y423 AromaticContact NE1-CG 3.73Å; W410-Y423 AromaticContact NE1-CZ 3.35Å; H412-Y423 PolarHBondContact CD2-OH 2.79Å; T421-Y423 HydrophobicContact CG2-CD1 4.5Å; T421-Y423 HydrophobicContact CG2-CD2 4.12Å; T421-Y423 HydrophobicContact CG2-CE1 4.09Å; T421-Y423 HydrophobicContact CG2-CE2 3.66Å; Y423-P440 WeakPolarHBondContact O-CD 3.11Å; Y423-A444 VanDerWaalsContact CE2-O 3.23Å; Y423-A444 WeakPolarHBondContact CE2-O 3.34Å; Y423-L461 HydrophobicContact CD1-CD1 4.25Å; Y423-L461 HydrophobicContact CD1-CD2 4.22Å; Y423-L461 HydrophobicContact CD1-CG 4.28Å; Y423-R462 WeakPolarHBondContact CA-O 3.35Å; Y423-A463 HydrophobicContact CD1-CB 3.79Å; Y423-A463 HydrophobicContact CE1-CB 3.66Å
424Q92.3Very high82.7Confident18 Ų1859 Ų598%0.08432%0.317CS..EExtended strand (participates in β ladder)trans-137.2122.3167.5-166.5179.564.400109.3V437 E439 R462 W474 W477Q424-V437 VanDerWaalsContact CD-CG1 3.44Å; Q424-V437 HydrophobicContact CG-CG1 3.42Å; Q424-V437 VanDerWaalsContact CG-CG1 3.42Å; Q424-E439 HydrophobicContact CG-CG 4.09Å; Q424-E439 PolarHBondContact NE2-OE1 3.09Å; Q424-R462 HydrophobicContact CB-CG 3.95Å; Q424-R462 PolarHBondContact N-O 3.13Å; Q424-R462 PolarHBondContact O-N 3.32Å; Q424-W474 HydrophobicContact CB-CH2 3.83Å; Q424-W474 HydrophobicContact CB-CZ3 3.89Å; Q424-W477 HydrophobicContact CG-CH2 4.27Å; Q424-W477 WeakPolarHBondContact O-CZ3 3.42Å
425L91.1Very high83.5Confident0 Ų061.5 Ų61.50%032%0.321CS..EExtended strand (participates in β ladder)trans-105.4131.6-180177.772.8000108.4L396 L408 V437 L438 L449 L459 Q460 L461L396-L425 HydrophobicContact CD2-CD1 4.22Å; L408-L425 HydrophobicContact CD1-CD1 4.34Å; L408-L425 HydrophobicContact CD1-CD2 3.34Å; L408-L425 HydrophobicContact CD1-CG 4.49Å; L425-V437 CarbonylContact O-C 3.58Å; L425-V437 WeakPolarHBondContact O-CA 3.26Å; L425-L438 HydrophobicContact CB-CB 4.42Å; L425-L438 HydrophobicContact CD2-CD1 4.28Å; L425-L438 PolarHBondContact N-O 3.22Å; L425-L438 PolarHBondContact O-N 3.21Å; L425-L449 HydrophobicContact CD2-CD2 4.4Å; L425-L459 HydrophobicContact CD1-CB 4.46Å; L425-L459 HydrophobicContact CD1-CD2 4.45Å; L425-Q460 WeakPolarHBondContact CA-O 3.26Å; L425-L461 HydrophobicContact CB-CD1 4.09Å; L425-L461 HydrophobicContact CD1-CD1 4.21Å
426R92.4Very high84.4Confident52 Ų5262.1 Ų62.120%0.19631%0.309CS..EExtended strand (participates in β ladder)trans-122143.7169.569.3176.8-176.4-169.3-0.9111.3W435 K436 V437 L459 Q460 W477R426-W435 HydrophobicContact CB-CB 4.45Å; R426-W435 HydrophobicContact CB-CE3 3.88Å; R426-W435 HydrophobicContact CG-CD2 4.12Å; R426-W435 HydrophobicContact CG-CE3 3.46Å; R426-W435 VanDerWaalsContact CG-CE3 3.46Å; R426-W435 HydrophobicContact CG-CZ3 3.82Å; R426-K436 CarbonylContact C-O 3.57Å; R426-K436 WeakPolarHBondContact CA-O 3.04Å; R426-V437 HydrophobicContact CB-CG2 4.17Å; R426-L459 CarbonylContact O-C 3.39Å; R426-L459 WeakPolarHBondContact O-CA 3.41Å; R426-Q460 HydrophobicContact CG-CB 3.94Å; R426-Q460 PolarHBondContact N-O 2.93Å; R426-Q460 PolarHBondContact O-N 2.84Å; R426-W477 HydrophobicContact CB-CH2 4.03Å; R426-W477 HydrophobicContact CB-CZ3 4.09Å; R426-W477 HydrophobicContact CG-CE3 3.95Å; R426-W477 HydrophobicContact CG-CH2 3.75Å; R426-W477 HydrophobicContact CG-CZ2 4.36Å; R426-W477 HydrophobicContact CG-CZ3 3.51Å; R426-W477 VanDerWaalsContact CZ-CE2 3.47Å
427Y91.2Very high85.2Confident18 Ų1859.7 Ų59.77%0.07131%0.308CS..EExtended strand (participates in β ladder)trans-137.4149.1176.171.7-79.3000112.1K436 L438 L449 L451 Y457 R458Y427-K436 HydrophobicContact CD1-CB 3.86Å; Y427-K436 HydrophobicContact CD2-CB 4.46Å; Y427-K436 HydrophobicContact CE1-CB 3.42Å; Y427-K436 VanDerWaalsContact CE1-CB 3.42Å; Y427-K436 HydrophobicContact CE1-CD 4.24Å; Y427-K436 HydrophobicContact CE1-CG 4.47Å; Y427-K436 HydrophobicContact CE2-CB 4.12Å; Y427-K436 HydrophobicContact CE2-CD 3.77Å; Y427-K436 HydrophobicContact CE2-CG 4.46Å; Y427-K436 HydrophobicContact CG-CB 4.36Å; Y427-K436 PolarHBondContact N-O 2.94Å; Y427-K436 PolarHBondContact O-N 3.34Å; Y427-K436 VanDerWaalsContact OH-CD 3.28Å; Y427-K436 WeakPolarHBondContact OH-CD 2.89Å; Y427-L438 HydrophobicContact CD1-CD1 4.1Å; Y427-L438 HydrophobicContact CD1-CG 4.46Å; Y427-L438 HydrophobicContact CE1-CD1 3.71Å; Y427-L438 HydrophobicContact CE1-CG 4.01Å; Y427-L449 HydrophobicContact CD1-CD1 4.49Å; Y427-L449 HydrophobicContact CD1-CD2 4.43Å; Y427-L449 HydrophobicContact CE1-CD1 4.21Å; Y427-L449 HydrophobicContact CG-CD2 4.38Å; Y427-L451 HydrophobicContact CD2-CD2 3.62Å; Y427-L451 HydrophobicContact CE2-CD2 3.47Å; Y427-L451 VanDerWaalsContact CE2-CD2 3.47Å; Y427-L451 HydrophobicContact CG-CD2 4.46Å; Y427-Y457 HydrophobicContact CD2-CD1 4.29Å; Y427-R458 CarbonylContact C-O 3.27Å; Y427-R458 WeakPolarHBondContact CA-O 3.37Å
428T92.3Very high85.8Confident5 Ų561.8 Ų61.83%0.03132%0.319CS..EExtended strand (participates in β ladder)trans-144.1149.3174.9-169.40000110.5H432 D434 W435 Y457 R458T428-H432 PolarHBondContact OG1-O 3.05Å; T428-D434 WeakPolarHBondContact CB-O 3.33Å; T428-D434 PolarHBondContact OG1-O 3.47Å; T428-W435 HydrophobicContact CG2-CD2 3.88Å; T428-W435 HydrophobicContact CG2-CE3 3.75Å; T428-W435 HydrophobicContact CG2-CH2 3.69Å; T428-W435 HydrophobicContact CG2-CZ2 3.79Å; T428-W435 HydrophobicContact CG2-CZ3 3.67Å; T428-Y457 CarbonylContact O-C 3.57Å; T428-Y457 VanDerWaalsContact O-CA 3.27Å; T428-Y457 WeakPolarHBondContact O-CA 2.92Å; T428-R458 HydrophobicContact CG2-CB 4.16Å; T428-R458 PolarHBondContact N-O 2.74Å; T428-R458 PolarHBondContact O-N 3.48Å
429G87.6Confident86.4Confident16 Ų1667.6 Ų67.617%0.16534%0.344CS..EExtended strand (participates in β ladder)trans-73.5147.317300000110.7G431 H432G429-G431 PolarHBondContact O-N 2.98Å; G429-H432 PolarHBondContact O-N 2.95Å
430E83.4Confident86.8Confident87 Ų8759.8 Ų59.841%0.40731%0.308SS..THydrogen-bonded Turntrans-61.3121.8176.6-172.5160.4-117.400110.7R456 R458E430-R456 HydrophobicContact CB-CB 3.78Å; E430-R456 PolarHBondContact N-O 2.75Å; E430-R456 WeakPolarHBondContact OE2-CD 3.29Å; E430-R456 IonicContact OE2-NE 3.41Å; E430-R456 IonicContact OE2-NH1 3.02Å; E430-R458 IonicContact OE1-NH2 2.73Å
431G75.8Confident86.8Confident73 Ų7360 Ų6075%0.75331%0.312SS*.THydrogen-bonded Turntrans97.5-8.3-17600000115.1G429G429-G431 PolarHBondContact O-N 2.98Å
432H79.7Confident86.7Confident127 Ų12764.8 Ų64.859%0.58834%0.338SS*.  trans-94.5144.9172.6-71.3-94000111.3T428 G429T428-H432 PolarHBondContact OG1-O 3.05Å; G429-H432 PolarHBondContact O-N 2.95Å
433Q78Confident86.1Confident177 Ų17764.3 Ų64.383%0.82734%0.337SS*.  trans-91.4-23.8174.3-68.3-169.6-400112.5
434D85.3Confident85.8Confident131 Ų13164.1 Ų64.170%0.70134%0.336SS*.PPolyproline II helixtrans-78.5128.1-177.5-57.3-44.1000111.5T428T428-D434 WeakPolarHBondContact CB-O 3.33Å; T428-D434 PolarHBondContact OG1-O 3.47Å
435W88.8Confident85.3Confident90 Ų9071.4 Ų71.434%0.34136%0.363SS..PPolyproline II helixtrans-95.9129.8175-69.987.5000110.2R426 T428 R458 Q460R426-W435 HydrophobicContact CB-CB 4.45Å; R426-W435 HydrophobicContact CB-CE3 3.88Å; R426-W435 HydrophobicContact CG-CD2 4.12Å; R426-W435 HydrophobicContact CG-CE3 3.46Å; R426-W435 VanDerWaalsContact CG-CE3 3.46Å; R426-W435 HydrophobicContact CG-CZ3 3.82Å; T428-W435 HydrophobicContact CG2-CD2 3.88Å; T428-W435 HydrophobicContact CG2-CE3 3.75Å; T428-W435 HydrophobicContact CG2-CH2 3.69Å; T428-W435 HydrophobicContact CG2-CZ2 3.79Å; T428-W435 HydrophobicContact CG2-CZ3 3.67Å; W435-R458 HydrophobicContact CH2-CB 4.07Å; W435-R458 HydrophobicContact CZ3-CB 4.42Å; W435-R458 WeakPolarHBondContact CZ3-O 3.46Å; W435-Q460 HydrophobicContact CH2-CG 4.28Å; W435-Q460 HydrophobicContact CZ3-CG 4.5Å
436K89.6Confident85Confident130 Ų13071.8 Ų71.857%0.56537%0.367SS*.EExtended strand (participates in β ladder)trans-87.7132.1166.7-66.8-174.6176.5-170.90108.8R426 Y427R426-K436 CarbonylContact C-O 3.57Å; R426-K436 WeakPolarHBondContact CA-O 3.04Å; Y427-K436 HydrophobicContact CD1-CB 3.86Å; Y427-K436 HydrophobicContact CD2-CB 4.46Å; Y427-K436 HydrophobicContact CE1-CB 3.42Å; Y427-K436 VanDerWaalsContact CE1-CB 3.42Å; Y427-K436 HydrophobicContact CE1-CD 4.24Å; Y427-K436 HydrophobicContact CE1-CG 4.47Å; Y427-K436 HydrophobicContact CE2-CB 4.12Å; Y427-K436 HydrophobicContact CE2-CD 3.77Å; Y427-K436 HydrophobicContact CE2-CG 4.46Å; Y427-K436 HydrophobicContact CG-CB 4.36Å; Y427-K436 PolarHBondContact N-O 2.94Å; Y427-K436 PolarHBondContact O-N 3.34Å; Y427-K436 VanDerWaalsContact OH-CD 3.28Å; Y427-K436 WeakPolarHBondContact OH-CD 2.89Å
437V90.9Very high84.7Confident75 Ų7569.7 Ų69.746%0.45536%0.361SS..EExtended strand (participates in β ladder)trans-113.9135.6-175.8-175.30000109.6Q424 L425 R426Q424-V437 VanDerWaalsContact CD-CG1 3.44Å; Q424-V437 HydrophobicContact CG-CG1 3.42Å; Q424-V437 VanDerWaalsContact CG-CG1 3.42Å; L425-V437 CarbonylContact O-C 3.58Å; L425-V437 WeakPolarHBondContact O-CA 3.26Å; R426-V437 HydrophobicContact CB-CG2 4.17Å
438L88.8Confident84.5Confident45 Ų4570.4 Ų70.424%0.23637%0.367CS..EExtended strand (participates in β ladder)trans-126.6139.5177.7-62.2173.4000108.6L425 Y427 P440 L449L425-L438 HydrophobicContact CB-CB 4.42Å; L425-L438 HydrophobicContact CD2-CD1 4.28Å; L425-L438 PolarHBondContact N-O 3.22Å; L425-L438 PolarHBondContact O-N 3.21Å; Y427-L438 HydrophobicContact CD1-CD1 4.1Å; Y427-L438 HydrophobicContact CD1-CG 4.46Å; Y427-L438 HydrophobicContact CE1-CD1 3.71Å; Y427-L438 HydrophobicContact CE1-CG 4.01Å; L438-P440 WeakPolarHBondContact O-CD 3.31Å; L438-L449 HydrophobicContact CD1-CD1 3.43Å; L438-L449 VanDerWaalsContact CD1-CD1 3.43Å
439E87.8Confident84.3Confident136 Ų13670.2 Ų70.264%0.63637%0.366SS*.  trans-115.599.8178.1-67.3-171.816400108.5Q424Q424-E439 HydrophobicContact CG-CG 4.09Å; Q424-E439 PolarHBondContact NE2-OE1 3.09Å
440P85.3Confident84.4Confident10 Ų1071.8 Ų71.87%0.06537%0.369CS..PPolyproline II helixtrans-60155.4171.8-21.933.4000111.3W410 Y423 L438 A444 W632W410-P440 HydrophobicContact CH2-CB 4.12Å; W410-P440 HydrophobicContact CH2-CG 3.8Å; W410-P440 HydrophobicContact CZ2-CB 4.11Å; W410-P440 HydrophobicContact CZ2-CG 4.08Å; Y423-P440 WeakPolarHBondContact O-CD 3.11Å; L438-P440 WeakPolarHBondContact O-CD 3.31Å; P440-A444 HydrophobicContact CB-CB 3.89Å; P440-W632 HydrophobicContact CB-CD2 4.19Å; P440-W632 HydrophobicContact CB-CE3 3.93Å; P440-W632 HydrophobicContact CB-CH2 4.21Å; P440-W632 HydrophobicContact CB-CZ2 4.37Å; P440-W632 HydrophobicContact CB-CZ3 4Å; P440-W632 HydrophobicContact CG-CE3 4.34Å; P440-W632 HydrophobicContact CG-CH2 3.8Å; P440-W632 HydrophobicContact CG-CZ2 4.21Å; P440-W632 HydrophobicContact CG-CZ3 3.89Å
441P81.3Confident84.5Confident42 Ų4268.5 Ų68.527%0.27335%0.354SS..PPolyproline II helixtrans-61.5156.6174.724.7-30.4000111.6G443 A444 W632P441-G443 PolarHBondContact O-N 2.89Å; P441-A444 HydrophobicContact CG-CB 4.14Å; P441-A444 VanDerWaalsContact O-CB 3.25Å; P441-A444 WeakPolarHBondContact O-CB 3.38Å; P441-A444 PolarHBondContact O-N 2.96Å; P441-A444 VanDerWaalsContact O-N 3.08Å; P441-W632 HydrophobicContact CG-CB 3.65Å; P441-W632 HydrophobicContact CG-CG 3.88Å
442L81.8Confident84.9Confident101 Ų10173.7 Ų73.753%0.52935%0.351SS..THydrogen-bonded Turntrans-49.7128.1177-83.5158.7000111.2C422 A444C422-L442 WeakPolarHBondContact SG-CD2 3.45Å; L442-A444 PolarHBondContact O-N 3.5Å
443G77Confident85Confident13 Ų1370.5 Ų70.513%0.13434%0.342CS..THydrogen-bonded Turntrans67.514.8178.300000116.3A418 T421 P441 R445A418-G443 WeakPolarHBondContact O-CA 3.43Å; T421-G443 PolarHBondContact O-N 3.13Å; P441-G443 PolarHBondContact O-N 2.89Å; G443-R445 PolarHBondContact O-N 3.41Å
444A82.8Confident85Confident1 Ų171.8 Ų71.81%0.00834%0.339CS..  trans-55.9138.1171.100000110.8W410 Y423 P440 P441 L442W410-A444 HydrophobicContact CZ2-CB 3.85Å; W410-A444 PolarHBondContact NE1-O 2.84Å; Y423-A444 VanDerWaalsContact CE2-O 3.23Å; Y423-A444 WeakPolarHBondContact CE2-O 3.34Å; P440-A444 HydrophobicContact CB-CB 3.89Å; P441-A444 HydrophobicContact CG-CB 4.14Å; P441-A444 VanDerWaalsContact O-CB 3.25Å; P441-A444 WeakPolarHBondContact O-CB 3.38Å; P441-A444 PolarHBondContact O-N 2.96Å; P441-A444 VanDerWaalsContact O-N 3.08Å; L442-A444 PolarHBondContact O-N 3.5Å
445R81.7Confident85Confident171 Ų17167.1 Ų67.165%0.64532%0.317SS*.  trans-100.1-7176-63.7-177.6178.6-176.30.6113.2W410 G443W410-R445 PolarHBondContact N-O 2.73Å; G443-R445 PolarHBondContact O-N 3.41Å
446G84.8Confident85Confident8 Ų869.3 Ų69.38%0.08233%0.325CS..EExtended strand (participates in β ladder)trans170.3178.8-173.900000110.7L408L408-G446 CarbonylContact O-C 3.42Å; L408-G446 WeakPolarHBondContact O-CA 2.99Å
447G86.2Confident85Confident7 Ų764.7 Ų64.77%0.07231%0.305CS..EExtended strand (participates in β ladder)trans177.3-171.8171.400000111.9L408 Y631 W632L408-G447 PolarHBondContact N-O 3.18Å; L408-G447 PolarHBondContact O-N 3.46Å; G447-Y631 WeakPolarHBondContact CA-O 3.33Å; G447-W632 VanDerWaalsContact CA-CE3 3.5Å
448T86.8Confident85Confident33 Ų3365.5 Ų65.520%0.20230%0.299CS..EExtended strand (participates in β ladder)trans-109.1139.7-174.446.80000111.6I401 L406 E407 S630 Y631I401-T448 HydrophobicContact CD1-CG2 4.37Å; L406-T448 CarbonylContact O-C 3.57Å; L406-T448 VanDerWaalsContact O-CA 3.29Å; L406-T448 WeakPolarHBondContact O-CA 3.5Å; E407-T448 HydrophobicContact CG-CG2 4.49Å; T448-S630 WeakPolarHBondContact O-CA 3.32Å; T448-S630 VanDerWaalsContact O-CB 3.25Å; T448-S630 WeakPolarHBondContact O-CB 3.49Å; T448-Y631 PolarHBondContact N-O 3.45Å; T448-Y631 PolarHBondContact OG1-N 2.93Å; T448-Y631 PolarHBondContact OG1-O 2.97Å
449L88.1Confident85.1Confident2 Ų263.4 Ų63.41%0.0129%0.288CS..EExtended strand (participates in β ladder)trans-129.1117.4177.5-179.766.5000109.7L406 L408 L425 Y427 L438 L451 L459L406-L449 HydrophobicContact CB-CB 4.47Å; L406-L449 PolarHBondContact N-O 2.96Å; L406-L449 PolarHBondContact O-N 2.78Å; L408-L449 HydrophobicContact CD1-CB 3.89Å; L408-L449 HydrophobicContact CD1-CD2 4.23Å; L408-L449 HydrophobicContact CG-CB 4.39Å; L425-L449 HydrophobicContact CD2-CD2 4.4Å; Y427-L449 HydrophobicContact CD1-CD1 4.49Å; Y427-L449 HydrophobicContact CD1-CD2 4.43Å; Y427-L449 HydrophobicContact CE1-CD1 4.21Å; Y427-L449 HydrophobicContact CG-CD2 4.38Å; L438-L449 HydrophobicContact CD1-CD1 3.43Å; L438-L449 VanDerWaalsContact CD1-CD1 3.43Å; L449-L451 HydrophobicContact CD1-CD2 4.33Å; L449-L451 HydrophobicContact CD2-CD1 4.11Å; L449-L451 HydrophobicContact CD2-CD2 3.91Å; L449-L451 HydrophobicContact CD2-CG 4.06Å; L449-L451 HydrophobicContact CG-CD2 3.91Å; L449-L451 HydrophobicContact CG-CG 4Å; L449-L459 HydrophobicContact CD2-CD2 3.62Å
450E87.9Confident85.3Confident49 Ų4958 Ų5823%0.22926%0.263CS..EExtended strand (participates in β ladder)trans-91.2125.8173.8-34.6175.5151.900110.2G404 H405 P628 L629G404-E450 CarbonylContact O-C 3.59Å; G404-E450 WeakPolarHBondContact O-CA 3.1Å; H405-E450 IonicContact CD2-OE1 2.82Å; H405-E450 IonicContact NE2-OE1 3.75Å; H405-E450 PolarHBondContact NE2-OE1 2.83Å; E450-P628 HydrophobicContact CB-CB 3.56Å; E450-P628 HydrophobicContact CG-CB 4.04Å; E450-P628 WeakPolarHBondContact O-CB 3.37Å; E450-P628 WeakPolarHBondContact OE2-CA 3.49Å; E450-L629 VanDerWaalsContact CD-N 3.29Å; E450-L629 WeakPolarHBondContact CG-O 3.44Å; E450-L629 PolarHBondContact OE2-N 3.5Å
451L86.5Confident85.6Confident17 Ų1757.5 Ų57.59%0.08926%0.26CS..  trans-124.8163.2-179.9-63.1-174.5000109.9G404 L406 Y427 L449 P453 Y457 T485G404-L451 WeakPolarHBondContact CA-O 3.44Å; G404-L451 PolarHBondContact O-N 2.8Å; L406-L451 HydrophobicContact CD1-CD1 3.3Å; L406-L451 HydrophobicContact CD1-CG 3.95Å; Y427-L451 HydrophobicContact CD2-CD2 3.62Å; Y427-L451 HydrophobicContact CE2-CD2 3.47Å; Y427-L451 VanDerWaalsContact CE2-CD2 3.47Å; Y427-L451 HydrophobicContact CG-CD2 4.46Å; L449-L451 HydrophobicContact CD1-CD2 4.33Å; L449-L451 HydrophobicContact CD2-CD1 4.11Å; L449-L451 HydrophobicContact CD2-CD2 3.91Å; L449-L451 HydrophobicContact CD2-CG 4.06Å; L449-L451 HydrophobicContact CG-CD2 3.91Å; L449-L451 HydrophobicContact CG-CG 4Å; L451-P453 WeakPolarHBondContact O-CD 3.31Å; L451-Y457 HydrophobicContact CB-CD2 4.07Å; L451-Y457 HydrophobicContact CB-CE2 3.67Å; L451-Y457 HydrophobicContact CD1-CD1 4.15Å; L451-Y457 HydrophobicContact CD1-CD2 3.52Å; L451-Y457 HydrophobicContact CD1-CE2 4Å; L451-Y457 HydrophobicContact CD1-CG 3.59Å; L451-Y457 HydrophobicContact CD2-CD1 4.35Å; L451-Y457 HydrophobicContact CD2-CE1 4.25Å; L451-Y457 HydrophobicContact CG-CD2 4.31Å; L451-Y457 HydrophobicContact CG-CE2 4.31Å; L451-T485 HydrophobicContact CB-CG2 4.36Å
452R83.8Confident86.1Confident182 Ų18258 Ų5869%0.68726%0.256SS*.  trans-67129.4177.3-170.9178.2-72.9171.8-3.8109.4S455 Y457 T485R452-S455 WeakPolarHBondContact O-CB 3.28Å; R452-Y457 WeakPolarHBondContact CB-OH 3.26Å; R452-Y457 PolarHBondContact N-OH 2.78Å; R452-T485 PolarHBondContact O-OG1 2.88Å
453P81.1Confident86.5Confident61 Ų6153.3 Ų53.340%0.39623%0.232SC..THydrogen-bonded Turntrans-58.2154.1174.6-23.733000112.3L451 S455 T485L451-P453 WeakPolarHBondContact O-CD 3.31Å; P453-S455 PolarHBondContact O-N 2.75Å; P453-S455 PolarHBondContact O-OG 2.89Å; P453-T485 VanDerWaalsContact C-OG1 3.3Å; P453-T485 WeakPolarHBondContact CA-OG1 3.31Å
454R79.8Confident87.1Confident203 Ų20356.1 Ų56.177%0.76624%0.239SC*.THydrogen-bonded Turntrans59.825.9176.7-48.9177.472.8175.73.5114.3T485 T487R454-T485 WeakPolarHBondContact CA-O 3.49Å; R454-T485 PolarHBondContact N-O 3.08Å; R454-T485 PolarHBondContact N-OG1 2.82Å; R454-T487 HydrophobicContact CG-CG2 3.76Å
455S84Confident87.4Confident34 Ų3456.1 Ų56.124%0.23824%0.238CC..  trans-124.8151.1-179.2-58.20000110.4R452 P453 T485R452-S455 WeakPolarHBondContact O-CB 3.28Å; P453-S455 PolarHBondContact O-N 2.75Å; P453-S455 PolarHBondContact O-OG 2.89Å; S455-T485 PolarHBondContact N-OG1 3.03Å; S455-T485 VanDerWaalsContact N-OG1 3.11Å; S455-T485 PolarHBondContact O-N 3.42Å; S455-T485 PolarHBondContact O-OG1 3.04Å; S455-T485 VanDerWaalsContact O-OG1 3.13Å
456R88.4Confident87.7Confident136 Ų13651.4 Ų51.451%0.51323%0.226SC..EExtended strand (participates in β ladder)trans-98.6134.6179.2-66.6-178.6168.6167.2-4.3110.6E430 V483 E484E430-R456 HydrophobicContact CB-CB 3.78Å; E430-R456 PolarHBondContact N-O 2.75Å; E430-R456 WeakPolarHBondContact OE2-CD 3.29Å; E430-R456 IonicContact OE2-NE 3.41Å; E430-R456 IonicContact OE2-NH1 3.02Å; R456-V483 WeakPolarHBondContact CA-O 3.41Å; R456-E484 HydrophobicContact CG-CG 4.12Å; R456-E484 IonicContact CZ-OE1 2.66Å; R456-E484 IonicContact NE-OE1 3.2Å; R456-E484 PolarHBondContact NE-OE1 3.34Å; R456-E484 IonicContact NH2-OE1 3.28Å; R456-E484 PolarHBondContact NH2-OE1 2.92Å
457Y89.9Confident87.6Confident33 Ų3351.5 Ų51.513%0.12923%0.227CC..EExtended strand (participates in β ladder)trans-131.2154.5-178.8-66.4-88000111.5Y427 T428 L451 R452 R482 V483Y427-Y457 HydrophobicContact CD2-CD1 4.29Å; T428-Y457 CarbonylContact O-C 3.57Å; T428-Y457 VanDerWaalsContact O-CA 3.27Å; T428-Y457 WeakPolarHBondContact O-CA 2.92Å; L451-Y457 HydrophobicContact CB-CD2 4.07Å; L451-Y457 HydrophobicContact CB-CE2 3.67Å; L451-Y457 HydrophobicContact CD1-CD1 4.15Å; L451-Y457 HydrophobicContact CD1-CD2 3.52Å; L451-Y457 HydrophobicContact CD1-CE2 4Å; L451-Y457 HydrophobicContact CD1-CG 3.59Å; L451-Y457 HydrophobicContact CD2-CD1 4.35Å; L451-Y457 HydrophobicContact CD2-CE1 4.25Å; L451-Y457 HydrophobicContact CG-CD2 4.31Å; L451-Y457 HydrophobicContact CG-CE2 4.31Å; R452-Y457 WeakPolarHBondContact CB-OH 3.26Å; R452-Y457 PolarHBondContact N-OH 2.78Å; Y457-R482 WeakPolarHBondContact O-CA 3.32Å; Y457-V483 PolarHBondContact N-O 2.71Å; Y457-V483 PolarHBondContact O-N 3.05Å
458R90.9Very high87.4Confident92 Ų9256.9 Ų56.935%0.34726%0.26SS..EExtended strand (participates in β ladder)trans-114.4132168.5-62.7-179-165.5144.54.5108.8Y427 T428 E430 W435 A481Y427-R458 CarbonylContact C-O 3.27Å; Y427-R458 WeakPolarHBondContact CA-O 3.37Å; T428-R458 HydrophobicContact CG2-CB 4.16Å; T428-R458 PolarHBondContact N-O 2.74Å; T428-R458 PolarHBondContact O-N 3.48Å; E430-R458 IonicContact OE1-NH2 2.73Å; W435-R458 HydrophobicContact CH2-CB 4.07Å; W435-R458 HydrophobicContact CZ3-CB 4.42Å; W435-R458 WeakPolarHBondContact CZ3-O 3.46Å; R458-A481 CarbonylContact C-O 3.59Å; R458-A481 WeakPolarHBondContact CA-O 3.23Å
459L91.8Very high87.1Confident0 Ų058.8 Ų58.80%027%0.272CS..EExtended strand (participates in β ladder)trans-121.1143.7177.7-57.988.4000110.4L396 L408 L425 R426 L449 P480 A481 V483L396-L459 HydrophobicContact CD2-CB 3.87Å; L408-L459 HydrophobicContact CD1-CD2 4.34Å; L408-L459 HydrophobicContact CD2-CD2 4.05Å; L425-L459 HydrophobicContact CD1-CB 4.46Å; L425-L459 HydrophobicContact CD1-CD2 4.45Å; R426-L459 CarbonylContact O-C 3.39Å; R426-L459 WeakPolarHBondContact O-CA 3.41Å; L449-L459 HydrophobicContact CD2-CD2 3.62Å; L459-P480 WeakPolarHBondContact O-CA 3.38Å; L459-A481 HydrophobicContact CB-CB 4.49Å; L459-A481 PolarHBondContact N-O 3.46Å; L459-A481 PolarHBondContact O-N 2.94Å; L459-V483 HydrophobicContact CD1-CB 3.82Å; L459-V483 HydrophobicContact CD1-CG2 3.18Å
460Q92.5Very high87Confident23 Ų2361.9 Ų61.911%0.10728%0.284CS..EExtended strand (participates in β ladder)trans-139.5143.6172.3-67.2-177.6-66.700110.2L425 R426 W435 W477 S478 P480L425-Q460 WeakPolarHBondContact CA-O 3.26Å; R426-Q460 HydrophobicContact CG-CB 3.94Å; R426-Q460 PolarHBondContact N-O 2.93Å; R426-Q460 PolarHBondContact O-N 2.84Å; W435-Q460 HydrophobicContact CH2-CG 4.28Å; W435-Q460 HydrophobicContact CZ3-CG 4.5Å; Q460-W477 HydrophobicContact CB-CB 4.41Å; Q460-W477 HydrophobicContact CB-CD2 4.46Å; Q460-W477 HydrophobicContact CB-CE3 3.77Å; Q460-W477 HydrophobicContact CB-CZ3 4.47Å; Q460-S478 WeakPolarHBondContact CG-O 3.48Å; Q460-S478 PolarHBondContact NE2-O 3.18Å; Q460-P480 HydrophobicContact CG-CB 4.18Å
461L91.4Very high87.1Confident0 Ų063.4 Ų63.40%029%0.292CS..EExtended strand (participates in β ladder)trans-120.8143-179.6-172.469.2000109.5P394 L396 W410 Y423 L425 S478P394-L461 HydrophobicContact CB-CD2 3.9Å; P394-L461 HydrophobicContact CB-CG 4.45Å; P394-L461 HydrophobicContact CG-CB 4.18Å; P394-L461 HydrophobicContact CG-CD2 3.76Å; P394-L461 HydrophobicContact CG-CG 3.76Å; L396-L461 HydrophobicContact CB-CB 4.24Å; L396-L461 HydrophobicContact CB-CD2 4.43Å; L396-L461 HydrophobicContact CD1-CD2 4.22Å; L396-L461 HydrophobicContact CD2-CB 4.4Å; W410-L461 HydrophobicContact CB-CD2 3.55Å; W410-L461 HydrophobicContact CD2-CD2 3.77Å; W410-L461 HydrophobicContact CE3-CD2 4.03Å; W410-L461 HydrophobicContact CG-CD2 3.58Å; Y423-L461 HydrophobicContact CD1-CD1 4.25Å; Y423-L461 HydrophobicContact CD1-CD2 4.22Å; Y423-L461 HydrophobicContact CD1-CG 4.28Å; L425-L461 HydrophobicContact CB-CD1 4.09Å; L425-L461 HydrophobicContact CD1-CD1 4.21Å; L461-S478 PolarHBondContact N-OG 2.98Å; L461-S478 WeakPolarHBondContact O-CB 3.44Å; L461-S478 PolarHBondContact O-N 2.91Å
462R91.6Very high87.2Confident52 Ų5263.4 Ų63.420%0.19630%0.296CS..EExtended strand (participates in β ladder)trans-135.8159167.166.5176.6-179.5171.61.1110.7Y423 Q424 W474 S475 W477Y423-R462 WeakPolarHBondContact CA-O 3.35Å; Q424-R462 HydrophobicContact CB-CG 3.95Å; Q424-R462 PolarHBondContact N-O 3.13Å; Q424-R462 PolarHBondContact O-N 3.32Å; R462-W474 HydrophobicContact CG-CE3 3.77Å; R462-W474 HydrophobicContact CG-CZ3 4.11Å; R462-S475 WeakPolarHBondContact CA-OG 3.46Å; R462-W477 HydrophobicContact CB-CD2 4.25Å; R462-W477 HydrophobicContact CB-CE3 3.91Å; R462-W477 HydrophobicContact CB-CZ3 4.16Å; R462-W477 HydrophobicContact CG-CD2 4.23Å; R462-W477 HydrophobicContact CG-CE3 3.87Å; R462-W477 HydrophobicContact CG-CH2 3.78Å; R462-W477 HydrophobicContact CG-CZ2 4.14Å; R462-W477 HydrophobicContact CG-CZ3 3.63Å; R462-W477 VanDerWaalsContact NE-CZ2 3.28Å
463A89.8Confident87.5Confident2 Ų257.2 Ų57.22%0.01728%0.279CS..EExtended strand (participates in β ladder)trans-130.5151.5-177.900000111.2L391 P394 T421 C422 Y423 S475L391-A463 HydrophobicContact CD1-CB 4.01Å; P394-A463 HydrophobicContact CG-CB 4.2Å; T421-A463 HydrophobicContact CG2-CB 3.94Å; C422-A463 CarbonylContact O-C 3.6Å; C422-A463 WeakPolarHBondContact O-CA 3.45Å; Y423-A463 HydrophobicContact CD1-CB 3.79Å; Y423-A463 HydrophobicContact CE1-CB 3.66Å; A463-S475 PolarHBondContact N-OG 3.26Å; A463-S475 WeakPolarHBondContact O-CB 3.42Å; A463-S475 PolarHBondContact O-N 3.41Å; A463-S475 PolarHBondContact O-OG 2.91Å
464R90.1Very high87.9Confident73 Ų7357.6 Ų57.628%0.27527%0.272SS..EExtended strand (participates in β ladder)trans-145.3153.7166.877.3179-133.8-165.32.2110.7T421 C422 N466 W474T421-R464 CarbonylContact C-O 3.5Å; T421-R464 WeakPolarHBondContact CA-O 3.37Å; C422-R464 HydrophobicContact CB-CG 3.99Å; C422-R464 PolarHBondContact N-O 2.9Å; C422-R464 PolarHBondContact O-N 3.21Å; R464-N466 VanDerWaalsContact NH2-CG 3.27Å; R464-N466 PolarHBondContact NH2-OD1 2.88Å; R464-W474 HydrophobicContact CB-CD2 3.9Å; R464-W474 HydrophobicContact CB-CE3 3.61Å; R464-W474 HydrophobicContact CB-CG 4.37Å; R464-W474 HydrophobicContact CB-CZ3 4.02Å; R464-W474 HydrophobicContact CG-CD2 4.01Å; R464-W474 HydrophobicContact CG-CE3 3.77Å; R464-W474 HydrophobicContact CG-CH2 3.94Å; R464-W474 HydrophobicContact CG-CZ2 4.2Å; R464-W474 HydrophobicContact CG-CZ3 3.72Å
465L88.7Confident88.4Confident1 Ų148.2 Ų48.21%0.00524%0.238CC..EExtended strand (participates in β ladder)trans-82.8131.4167.3-73.4164.1000109.9V389 L391 W416 A417 E420 T421 G472V389-L465 HydrophobicContact CB-CD1 3.78Å; V389-L465 HydrophobicContact CG1-CD1 3.63Å; L391-L465 HydrophobicContact CD1-CD2 4.4Å; L391-L465 HydrophobicContact CD1-CG 3.92Å; L391-L465 HydrophobicContact CD2-CD1 3.9Å; L391-L465 HydrophobicContact CD2-CG 4.17Å; L391-L465 HydrophobicContact CG-CD1 4.12Å; L391-L465 HydrophobicContact CG-CG 4Å; W416-L465 HydrophobicContact CH2-CD1 4.15Å; W416-L465 HydrophobicContact CZ3-CD1 4.44Å; A417-L465 HydrophobicContact CB-CD1 4.45Å; A417-L465 HydrophobicContact CB-CD2 3.67Å; E420-L465 HydrophobicContact CB-CD2 4.24Å; T421-L465 WeakPolarHBondContact OG1-CD2 3.02Å; L465-G472 PolarHBondContact O-N 2.97Å
466N87.1Confident88.6Confident71 Ų7150.5 Ų50.538%0.3825%0.254SS..BIsolated β-bridgetrans-144.148.8-179-163.346.8000110.7E420 C422 R464E420-N466 PolarHBondContact O-N 3.39Å; C422-N466 HydrophobicContact CB-CB 4.48Å; C422-N466 VanDerWaalsContact SG-CB 3.59Å; R464-N466 VanDerWaalsContact NH2-CG 3.27Å; R464-N466 PolarHBondContact NH2-OD1 2.88Å
467G83.3Confident88.8Confident10 Ų1046.9 Ų46.910%0.10324%0.24CC..SBendtrans-104.2175.5179.500000113.7T469 Y470 Q471G467-T469 VanDerWaalsContact C-N 3.29Å; G467-Y470 PolarHBondContact N-O 3.44Å; G467-Q471 VanDerWaalsContact O-CG 3.24Å; G467-Q471 WeakPolarHBondContact O-CG 3.24Å; G467-Q471 PolarHBondContact O-NE2 2.88Å
468P81.2Confident88.8Confident120 Ų12045.9 Ų45.978%0.77924%0.238SC*.SBendtrans-69.3-29.8170.329.6-34.3000112
469T82.2Confident88.6Confident73 Ų7348.5 Ų48.545%0.44826%0.259SS..SBendtrans-92-47.2-175.1-38.40000111.7H386 E420 G467H386-T469 PolarHBondContact CD2-O 2.87Å; E420-T469 WeakPolarHBondContact OE1-CB 3.36Å; E420-T469 PolarHBondContact OE1-OG1 3.05Å; G467-T469 VanDerWaalsContact C-N 3.29Å
470Y85.1Confident88.5Confident67 Ų6751.8 Ų51.826%0.26328%0.28SS..  trans-125136.4-179.5-61.1-84.3000111.9L296 H386 V389 W416 E420 G467L296-Y470 HydrophobicContact CD1-CD1 4.42Å; L296-Y470 HydrophobicContact CD1-CE1 3.69Å; L296-Y470 HydrophobicContact CD2-CD1 4.2Å; L296-Y470 HydrophobicContact CD2-CE1 3.94Å; L296-Y470 HydrophobicContact CG-CE1 4.49Å; H386-Y470 HydrophobicContact CB-CD1 3.65Å; H386-Y470 HydrophobicContact CB-CE1 3.86Å; H386-Y470 CarbonylContact O-C 3.58Å; H386-Y470 VanDerWaalsContact O-CA 3.31Å; H386-Y470 WeakPolarHBondContact O-CA 3.25Å; V389-Y470 HydrophobicContact CG2-CD1 4.15Å; W416-Y470 HydrophobicContact CE3-CD2 4.11Å; W416-Y470 AromaticContact CE3-CE2 3.95Å; W416-Y470 HydrophobicContact CE3-CE2 3.95Å; W416-Y470 HydrophobicContact CH2-CD1 4.33Å; W416-Y470 HydrophobicContact CH2-CE1 4.49Å; W416-Y470 HydrophobicContact CH2-CG 4.36Å; W416-Y470 HydrophobicContact CZ3-CD1 4.03Å; W416-Y470 AromaticContact CZ3-CD2 3.52Å; W416-Y470 HydrophobicContact CZ3-CD2 3.52Å; W416-Y470 HydrophobicContact CZ3-CE1 4.16Å; W416-Y470 AromaticContact CZ3-CE2 3.65Å; W416-Y470 HydrophobicContact CZ3-CE2 3.65Å; W416-Y470 AromaticContact CZ3-CG 3.71Å; W416-Y470 HydrophobicContact CZ3-CG 3.71Å; W416-Y470 AromaticContact CZ3-CZ 3.98Å; E420-Y470 PolarHBondContact OE2-N 3.33Å; E420-Y470 VanDerWaalsContact OE2-N 3.09Å; G467-Y470 PolarHBondContact N-O 3.44Å
471Q89.1Confident88.3Confident82 Ų8251.5 Ų51.538%0.38328%0.282SS..BIsolated β-bridgetrans-133.8162.9175.3-58.9178.821.400109.5H386 Q387 A388 V389 G467H386-Q471 PolarHBondContact O-N 3.26Å; H386-Q471 VanDerWaalsContact O-O 3.05Å; Q387-Q471 CarbonylContact C-O 3.48Å; Q387-Q471 WeakPolarHBondContact CA-O 3.42Å; Q387-Q471 HydrophobicContact CB-CB 4.44Å; Q387-Q471 CarbonylContact O-C 3.44Å; Q387-Q471 VanDerWaalsContact O-C 3.27Å; A388-Q471 PolarHBondContact N-O 2.74Å; V389-Q471 PolarHBondContact N-O 3.32Å; G467-Q471 VanDerWaalsContact O-CG 3.24Å; G467-Q471 WeakPolarHBondContact O-CG 3.24Å; G467-Q471 PolarHBondContact O-NE2 2.88Å
472G89Confident88.1Confident17 Ų1760.8 Ų60.818%0.17532%0.317CS..  trans175.2178.5172.500000114.5Q387 V389 L465Q387-G472 WeakPolarHBondContact O-CA 2.86Å; V389-G472 WeakPolarHBondContact O-CA 3.48Å; L465-G472 PolarHBondContact O-N 2.97Å
473P90.2Very high87.9Confident51 Ų5158.3 Ų58.333%0.33131%0.308SS..PPolyproline II helixtrans-70.1162.3-179.330.1-35.1000111.9F292 R390F292-P473 HydrophobicContact CB-CG 4.2Å; R390-P473 HydrophobicContact CB-CG 4.08Å; R390-P473 HydrophobicContact CG-CG 4.31Å
474W90.4Very high87.7Confident70 Ų7063.7 Ų63.727%0.26533%0.332SS..PPolyproline II helixtrans-61.9140.6170.1-70.8105.7000111.4C422 Q424 R462 R464C422-W474 HydrophobicContact CB-CH2 4.43Å; Q424-W474 HydrophobicContact CB-CH2 3.83Å; Q424-W474 HydrophobicContact CB-CZ3 3.89Å; R462-W474 HydrophobicContact CG-CE3 3.77Å; R462-W474 HydrophobicContact CG-CZ3 4.11Å; R464-W474 HydrophobicContact CB-CD2 3.9Å; R464-W474 HydrophobicContact CB-CE3 3.61Å; R464-W474 HydrophobicContact CB-CG 4.37Å; R464-W474 HydrophobicContact CB-CZ3 4.02Å; R464-W474 HydrophobicContact CG-CD2 4.01Å; R464-W474 HydrophobicContact CG-CE3 3.77Å; R464-W474 HydrophobicContact CG-CH2 3.94Å; R464-W474 HydrophobicContact CG-CZ2 4.2Å; R464-W474 HydrophobicContact CG-CZ3 3.72Å
475S90.1Very high87.3Confident5 Ų560.7 Ų60.74%0.03532%0.322CS..PPolyproline II helixtrans-61.8162.3164.976.30000110.5L391 R462 A463L391-S475 WeakPolarHBondContact O-CB 2.92Å; R462-S475 WeakPolarHBondContact CA-OG 3.46Å; A463-S475 PolarHBondContact N-OG 3.26Å; A463-S475 WeakPolarHBondContact O-CB 3.42Å; A463-S475 PolarHBondContact O-N 3.41Å; A463-S475 PolarHBondContact O-OG 2.91Å
476S88.8Confident86.7Confident82 Ų8263.1 Ų63.157%0.57334%0.342SS*.PPolyproline II helixtrans-58.2156.4161.237.50000110.3T393T393-S476 WeakPolarHBondContact CG2-OG 3.49Å
477W90.7Very high85.7Confident61 Ų6163 Ų6323%0.23134%0.344CS..PPolyproline II helixtrans-65.1140.3170.5-69.9101.7000109.8Q424 R426 Q460 R462Q424-W477 HydrophobicContact CG-CH2 4.27Å; Q424-W477 WeakPolarHBondContact O-CZ3 3.42Å; R426-W477 HydrophobicContact CB-CH2 4.03Å; R426-W477 HydrophobicContact CB-CZ3 4.09Å; R426-W477 HydrophobicContact CG-CE3 3.95Å; R426-W477 HydrophobicContact CG-CH2 3.75Å; R426-W477 HydrophobicContact CG-CZ2 4.36Å; R426-W477 HydrophobicContact CG-CZ3 3.51Å; R426-W477 VanDerWaalsContact CZ-CE2 3.47Å; Q460-W477 HydrophobicContact CB-CB 4.41Å; Q460-W477 HydrophobicContact CB-CD2 4.46Å; Q460-W477 HydrophobicContact CB-CE3 3.77Å; Q460-W477 HydrophobicContact CB-CZ3 4.47Å; R462-W477 HydrophobicContact CB-CD2 4.25Å; R462-W477 HydrophobicContact CB-CE3 3.91Å; R462-W477 HydrophobicContact CB-CZ3 4.16Å; R462-W477 HydrophobicContact CG-CD2 4.23Å; R462-W477 HydrophobicContact CG-CE3 3.87Å; R462-W477 HydrophobicContact CG-CH2 3.78Å; R462-W477 HydrophobicContact CG-CZ2 4.14Å; R462-W477 HydrophobicContact CG-CZ3 3.63Å; R462-W477 VanDerWaalsContact NE-CZ2 3.28Å
478S90.9Very high84.9Confident11 Ų1166.9 Ų66.98%0.07736%0.36CS..PPolyproline II helixtrans-60.2162.4170.373.30000111.2Q460 L461Q460-S478 WeakPolarHBondContact CG-O 3.48Å; Q460-S478 PolarHBondContact NE2-O 3.18Å; L461-S478 PolarHBondContact N-OG 2.98Å; L461-S478 WeakPolarHBondContact O-CB 3.44Å; L461-S478 PolarHBondContact O-N 2.91Å
479D87.8Confident84.1Confident148 Ų14865.6 Ų65.679%0.79135%0.35SS*.PPolyproline II helixtrans-56.7143.7169.2-67.8-43.6000110.7A481D479-A481 PolarHBondContact O-N 3.47Å; D479-A481 VanDerWaalsContact O-N 3.08Å
480P88.5Confident83.5Confident68 Ų6864.7 Ų64.744%0.44235%0.35SS..  trans-68.1109.7-176.426.8-33.2000110.9L459 Q460 R482L459-P480 WeakPolarHBondContact O-CA 3.38Å; Q460-P480 HydrophobicContact CG-CB 4.18Å; P480-R482 PolarHBondContact O-N 2.82Å
481A87.9Confident82.8Confident18 Ų1869 Ų6915%0.14937%0.366CS..EExtended strand (participates in β ladder)trans-73.7121.3172.200000109.2L396 R458 L459 D479L396-A481 HydrophobicContact CD2-CB 4.2Å; R458-A481 CarbonylContact C-O 3.59Å; R458-A481 WeakPolarHBondContact CA-O 3.23Å; L459-A481 HydrophobicContact CB-CB 4.49Å; L459-A481 PolarHBondContact N-O 3.46Å; L459-A481 PolarHBondContact O-N 2.94Å; D479-A481 PolarHBondContact O-N 3.47Å; D479-A481 VanDerWaalsContact O-N 3.08Å
482R88.5Confident82.1Confident194 Ų19470.4 Ų70.473%0.73238%0.375SS*.EExtended strand (participates in β ladder)trans-89.7126.2176.3-72.7177.6-78.8-178.4-3.6109.3W398 Y457 P480W398-R482 WeakPolarHBondContact CZ2-O 3.38Å; Y457-R482 WeakPolarHBondContact O-CA 3.32Å; P480-R482 PolarHBondContact O-N 2.82Å
483V87.6Confident81.5Confident1 Ų173 Ų731%0.00639%0.39CS..EExtended strand (participates in β ladder)trans-123.1129.1-178.3-178.80000110W398 L406 R456 Y457 L459W398-V483 HydrophobicContact CD2-CG1 4.48Å; W398-V483 HydrophobicContact CD2-CG2 3.72Å; W398-V483 HydrophobicContact CE3-CG1 4.12Å; W398-V483 HydrophobicContact CE3-CG2 4.19Å; W398-V483 HydrophobicContact CG-CG2 4.1Å; W398-V483 HydrophobicContact CH2-CB 4.45Å; W398-V483 HydrophobicContact CH2-CG1 4.06Å; W398-V483 HydrophobicContact CH2-CG2 4.3Å; W398-V483 HydrophobicContact CZ2-CB 4.36Å; W398-V483 HydrophobicContact CZ2-CG1 4.43Å; W398-V483 HydrophobicContact CZ2-CG2 3.85Å; W398-V483 HydrophobicContact CZ3-CG1 3.9Å; W398-V483 HydrophobicContact CZ3-CG2 4.46Å; L406-V483 HydrophobicContact CD1-CB 4.49Å; L406-V483 HydrophobicContact CD1-CG1 3.64Å; L406-V483 HydrophobicContact CD2-CG1 3.53Å; L406-V483 HydrophobicContact CG-CG1 4.21Å; R456-V483 WeakPolarHBondContact CA-O 3.41Å; Y457-V483 PolarHBondContact N-O 2.71Å; Y457-V483 PolarHBondContact O-N 3.05Å; L459-V483 HydrophobicContact CD1-CB 3.82Å; L459-V483 HydrophobicContact CD1-CG2 3.18Å
484E84.9Confident81.1Confident114 Ų11476.5 Ų76.553%0.53341%0.405SS..EExtended strand (participates in β ladder)trans-113.7123.1171.5-49.6-163.414600107.8R456R456-E484 HydrophobicContact CG-CG 4.12Å; R456-E484 IonicContact CZ-OE1 2.66Å; R456-E484 IonicContact NE-OE1 3.2Å; R456-E484 PolarHBondContact NE-OE1 3.34Å; R456-E484 IonicContact NH2-OE1 3.28Å; R456-E484 PolarHBondContact NH2-OE1 2.92Å
485T82.4Confident80.9Confident10 Ų1077.2 Ų77.26%0.06142%0.417CS..PPolyproline II helixtrans-88.7127.6-178.847.60000111.1E400 L451 R452 P453 R454 S455E400-T485 WeakPolarHBondContact OE1-CA 3.49Å; L451-T485 HydrophobicContact CB-CG2 4.36Å; R452-T485 PolarHBondContact O-OG1 2.88Å; P453-T485 VanDerWaalsContact C-OG1 3.3Å; P453-T485 WeakPolarHBondContact CA-OG1 3.31Å; R454-T485 WeakPolarHBondContact CA-O 3.49Å; R454-T485 PolarHBondContact N-O 3.08Å; R454-T485 PolarHBondContact N-OG1 2.82Å; S455-T485 PolarHBondContact N-OG1 3.03Å; S455-T485 VanDerWaalsContact N-OG1 3.11Å; S455-T485 PolarHBondContact O-N 3.42Å; S455-T485 PolarHBondContact O-OG1 3.04Å; S455-T485 VanDerWaalsContact O-OG1 3.13Å
486A74.5Confident80.6Confident52 Ų5280.2 Ų80.243%0.4344%0.435SS..PPolyproline II helixtrans-72.2157.8-174.500000113.6E400 S403E400-A486 VanDerWaalsContact CD-N 3.28Å; E400-A486 PolarHBondContact OE1-N 2.87Å; E400-A486 VanDerWaalsContact OE2-CB 3.27Å; E400-A486 WeakPolarHBondContact OE2-CB 3.29Å; E400-A486 PolarHBondContact OE2-N 3.03Å; S403-A486 WeakPolarHBondContact CB-O 3.35Å
487T67.7Low80.6Confident69 Ų6978.7 Ų78.742%0.42343%0.427SS..PPolyproline II helixtrans-78.8138.5173.250.30000111.1R454 T489R454-T487 HydrophobicContact CG-CG2 3.76Å; T487-T489 VanDerWaalsContact C-N 3.35Å; T487-T489 PolarHBondContact O-N 3.12Å
488E65.4Low80.6Confident92 Ų9280.9 Ų80.943%0.4344%0.443SS..  trans-70.584.9174.7-132.6179.1173.400111.5S403 W491S403-E488 VanDerWaalsContact OG-CD 3.27Å; S403-E488 VanDerWaalsContact OG-CG 3.28Å; S403-E488 WeakPolarHBondContact OG-CG 3.47Å; E488-W491 VanDerWaalsContact CG-CD1 3.49Å; E488-W491 WeakPolarHBondContact OE1-CZ2 3.49Å; E488-W491 PolarHBondContact OE1-NE1 2.93Å; E488-W491 PolarHBondContact OE2-NE1 3.4Å
489T64.8Low80.5Confident92 Ų9285.8 Ų85.856%0.56447%0.468SS*.Hα-helixtrans-81.9-16.5-174.2510000113.9T487 W491 I492 S493T487-T489 VanDerWaalsContact C-N 3.35Å; T487-T489 PolarHBondContact O-N 3.12Å; T489-W491 PolarHBondContact O-N 2.92Å; T489-I492 PolarHBondContact O-N 3.19Å; T489-S493 PolarHBondContact O-N 3.32Å
490A68.4Low80.7Confident54 Ų5484.4 Ų84.445%0.44646%0.46SS..Hα-helixtrans-65.8-37.1-174.600000113.8S493 L494A490-S493 PolarHBondContact O-OG 2.95Å; A490-L494 WeakPolarHBondContact O-CB 3.4Å; A490-L494 PolarHBondContact O-N 3.1Å
491W71Confident80.9Confident159 Ų15985.8 Ų85.860%0.60247%0.467SS*.Hα-helixtrans-73.1-40.4179.9-43.864.8000110.1E488 T489 L494 V495E488-W491 VanDerWaalsContact CG-CD1 3.49Å; E488-W491 WeakPolarHBondContact OE1-CZ2 3.49Å; E488-W491 PolarHBondContact OE1-NE1 2.93Å; E488-W491 PolarHBondContact OE2-NE1 3.4Å; T489-W491 PolarHBondContact O-N 2.92Å; W491-L494 PolarHBondContact O-N 3.37Å; W491-V495 WeakPolarHBondContact O-CB 3.44Å; W491-V495 VanDerWaalsContact O-CG2 3.26Å; W491-V495 WeakPolarHBondContact O-CG2 3.4Å; W491-V495 PolarHBondContact O-N 3.41Å
492I74.7Confident81.1Confident111 Ų11189.6 Ų89.657%0.56948%0.484SS*.Hα-helixtrans-66.2-41.3178-58.4174.3000109.9T489 T496T489-I492 PolarHBondContact O-N 3.19Å; I492-T496 WeakPolarHBondContact O-CB 3.33Å; I492-T496 VanDerWaalsContact O-CG2 3.23Å; I492-T496 WeakPolarHBondContact O-CG2 3.43Å; I492-T496 PolarHBondContact O-N 3.02Å; I492-T496 PolarHBondContact O-OG1 3.04Å
493S76.4Confident81.1Confident70 Ų7082 Ų8249%0.4947%0.467SS..Hα-helixtrans-67.3-38.317573.60000112.5T489 A490 T496 A497T489-S493 PolarHBondContact O-N 3.32Å; A490-S493 PolarHBondContact O-OG 2.95Å; S493-T496 VanDerWaalsContact CA-OG1 3.32Å; S493-T496 WeakPolarHBondContact CA-OG1 3.35Å; S493-T496 PolarHBondContact O-OG1 3.4Å; S493-A497 VanDerWaalsContact O-CB 3.24Å; S493-A497 WeakPolarHBondContact O-CB 3.38Å; S493-A497 PolarHBondContact O-N 3.49Å
494L81.4Confident81.2Confident125 Ų12587.3 Ų87.365%0.65449%0.494SS*.Hα-helixtrans-64.7-47.2175.4-92.1159.7000112.6A490 W491 A497 L498A490-L494 WeakPolarHBondContact O-CB 3.4Å; A490-L494 PolarHBondContact O-N 3.1Å; W491-L494 PolarHBondContact O-N 3.37Å; L494-A497 PolarHBondContact O-N 3.06Å; L494-L498 WeakPolarHBondContact O-CB 3.46Å; L494-L498 PolarHBondContact O-N 3.14Å
495V85.8Confident81.2Confident86 Ų8685.1 Ų85.152%0.52149%0.491SS..Hα-helixtrans-65.1-41.4179.1172.50000110.8W491 L498 L499W491-V495 WeakPolarHBondContact O-CB 3.44Å; W491-V495 VanDerWaalsContact O-CG2 3.26Å; W491-V495 WeakPolarHBondContact O-CG2 3.4Å; W491-V495 PolarHBondContact O-N 3.41Å; V495-L498 PolarHBondContact O-N 2.93Å; V495-L499 HydrophobicContact CG1-CD1 4.11Å; V495-L499 WeakPolarHBondContact O-CB 3.38Å; V495-L499 WeakPolarHBondContact O-CG 3.23Å; V495-L499 PolarHBondContact O-N 2.82Å
496T85Confident81.3Confident68 Ų6887.1 Ų87.142%0.41751%0.509SS..Hα-helixtrans-67.7-40176.850.70000112.4I492 S493 L499 L500I492-T496 WeakPolarHBondContact O-CB 3.33Å; I492-T496 VanDerWaalsContact O-CG2 3.23Å; I492-T496 WeakPolarHBondContact O-CG2 3.43Å; I492-T496 PolarHBondContact O-N 3.02Å; I492-T496 PolarHBondContact O-OG1 3.04Å; S493-T496 VanDerWaalsContact CA-OG1 3.32Å; S493-T496 WeakPolarHBondContact CA-OG1 3.35Å; S493-T496 PolarHBondContact O-OG1 3.4Å; T496-L499 PolarHBondContact O-N 3.4Å; T496-L500 WeakPolarHBondContact O-CG 3.19Å; T496-L500 PolarHBondContact O-N 2.93Å
497A87.9Confident81.8Confident49 Ų4988.5 Ų88.541%0.40551%0.512SS..Hα-helixtrans-63-42.7174.200000112S493 L494 L500 V501S493-A497 VanDerWaalsContact O-CB 3.24Å; S493-A497 WeakPolarHBondContact O-CB 3.38Å; S493-A497 PolarHBondContact O-N 3.49Å; L494-A497 PolarHBondContact O-N 3.06Å; A497-L500 PolarHBondContact O-N 3.39Å; A497-V501 WeakPolarHBondContact O-CG2 3.5Å; A497-V501 PolarHBondContact O-N 3.17Å
498L91.2Very high82.6Confident108 Ų10890.2 Ų90.257%0.56552%0.518SS*.Hα-helixtrans-62.2-44.5176.5-17567.8000111.7L494 V495 L500 V501 L502L494-L498 WeakPolarHBondContact O-CB 3.46Å; L494-L498 PolarHBondContact O-N 3.14Å; V495-L498 PolarHBondContact O-N 2.93Å; L498-L500 VanDerWaalsContact C-N 3.33Å; L498-L500 PolarHBondContact O-N 3.4Å; L498-V501 PolarHBondContact O-N 3.46Å; L498-L502 HydrophobicContact CD1-CD1 4.47Å; L498-L502 HydrophobicContact CG-CD1 4.07Å; L498-L502 WeakPolarHBondContact O-CB 3.46Å; L498-L502 WeakPolarHBondContact O-CG 3.42Å; L498-L502 PolarHBondContact O-N 2.94Å
499L89.4Confident83.3Confident113 Ų11387.7 Ų87.759%0.59252%0.516SS*.Hα-helixtrans-61.9-39.2175.7-77.4167.4000112.2V495 T496 G503V495-L499 HydrophobicContact CG1-CD1 4.11Å; V495-L499 WeakPolarHBondContact O-CB 3.38Å; V495-L499 WeakPolarHBondContact O-CG 3.23Å; V495-L499 PolarHBondContact O-N 2.82Å; T496-L499 PolarHBondContact O-N 3.4Å; L499-G503 PolarHBondContact O-N 3.4Å
500L91.9Very high83.9Confident120 Ų12086.9 Ų86.963%0.62851%0.508SS*.Hα-helixtrans-65.6-43.5175.8-75.6169.7000112T496 A497 L498 G503 L504T496-L500 WeakPolarHBondContact O-CG 3.19Å; T496-L500 PolarHBondContact O-N 2.93Å; A497-L500 PolarHBondContact O-N 3.39Å; L498-L500 VanDerWaalsContact C-N 3.33Å; L498-L500 PolarHBondContact O-N 3.4Å; L500-G503 PolarHBondContact O-N 3.01Å; L500-L504 WeakPolarHBondContact O-CB 3.44Å; L500-L504 VanDerWaalsContact O-CG 3.29Å; L500-L504 WeakPolarHBondContact O-CG 3.37Å; L500-L504 PolarHBondContact O-N 3.35Å
501V92.1Very high84.4Confident96 Ų9689.1 Ų89.158%0.58251%0.512SS*.Hα-helixtrans-64.8-45.8177.6173.40000111A497 L498 G503 L504 S505A497-V501 WeakPolarHBondContact O-CG2 3.5Å; A497-V501 PolarHBondContact O-N 3.17Å; L498-V501 PolarHBondContact O-N 3.46Å; V501-G503 PolarHBondContact O-N 2.91Å; V501-L504 PolarHBondContact O-N 3.39Å; V501-S505 WeakPolarHBondContact O-CB 3.27Å; V501-S505 PolarHBondContact O-N 2.87Å; V501-S505 PolarHBondContact O-OG 3.38Å
502L91.9Very high84.7Confident98 Ų9886.2 Ų86.251%0.51351%0.508SS..Hα-helixtrans-62.2-43.8176.2-71.7172.2000111.2L498 S505 A506L498-L502 HydrophobicContact CD1-CD1 4.47Å; L498-L502 HydrophobicContact CG-CD1 4.07Å; L498-L502 WeakPolarHBondContact O-CB 3.46Å; L498-L502 WeakPolarHBondContact O-CG 3.42Å; L498-L502 PolarHBondContact O-N 2.94Å; L502-S505 PolarHBondContact O-N 3.01Å; L502-S505 PolarHBondContact O-OG 3.45Å; L502-A506 WeakPolarHBondContact O-CB 3.42Å; L502-A506 PolarHBondContact O-N 2.94Å
503G88.8Confident84.5Confident36 Ų3683.6 Ų83.637%0.37150%0.495SS..Hα-helixtrans-60.2-48175.900000112.8L499 L500 V501 S505 A506 V507L499-G503 PolarHBondContact O-N 3.4Å; L500-G503 PolarHBondContact O-N 3.01Å; V501-G503 PolarHBondContact O-N 2.91Å; G503-S505 VanDerWaalsContact C-N 3.34Å; G503-S505 PolarHBondContact O-N 3.05Å; G503-A506 PolarHBondContact O-N 2.73Å; G503-V507 WeakPolarHBondContact O-CG2 3.45Å; G503-V507 PolarHBondContact O-N 2.89Å
504L89Confident84.2Confident112 Ų11287.2 Ų87.259%0.58650%0.498SS*.Hα-helixtrans-62.3-40.9177-74.5167.8000111.8L500 V501 V507 L508L500-L504 WeakPolarHBondContact O-CB 3.44Å; L500-L504 VanDerWaalsContact O-CG 3.29Å; L500-L504 WeakPolarHBondContact O-CG 3.37Å; L500-L504 PolarHBondContact O-N 3.35Å; V501-L504 PolarHBondContact O-N 3.39Å; L504-V507 PolarHBondContact O-N 2.9Å; L504-L508 PolarHBondContact O-N 2.98Å
505S85.9Confident83.6Confident67 Ų6792.1 Ų92.147%0.46951%0.508SS..Hα-helixtrans-64.6-39.717776.40000112.5V501 L502 G503 L508 G509V501-S505 WeakPolarHBondContact O-CB 3.27Å; V501-S505 PolarHBondContact O-N 2.87Å; V501-S505 PolarHBondContact O-OG 3.38Å; L502-S505 PolarHBondContact O-N 3.01Å; L502-S505 PolarHBondContact O-OG 3.45Å; G503-S505 VanDerWaalsContact C-N 3.34Å; G503-S505 PolarHBondContact O-N 3.05Å; S505-L508 PolarHBondContact O-N 2.96Å; S505-G509 PolarHBondContact O-N 2.73Å
506A85Confident82.8Confident53 Ų5394.6 Ų94.644%0.43851%0.514SS..Hα-helixtrans-67.4-40.2176.800000111.7L502 G503 G509 L510L502-A506 WeakPolarHBondContact O-CB 3.42Å; L502-A506 PolarHBondContact O-N 2.94Å; G503-A506 PolarHBondContact O-N 2.73Å; A506-G509 PolarHBondContact O-N 2.66Å; A506-L510 WeakPolarHBondContact O-CB 3.42Å; A506-L510 VanDerWaalsContact O-CG 3.32Å; A506-L510 WeakPolarHBondContact O-CG 3.25Å; A506-L510 PolarHBondContact O-N 2.66Å
507V83.8Confident81.8Confident81 Ų8196.9 Ų96.949%0.49152%0.518SS..Hα-helixtrans-65.2-44.3175.5172.90000111G503 L504 G509 L510 L511G503-V507 WeakPolarHBondContact O-CG2 3.45Å; G503-V507 PolarHBondContact O-N 2.89Å; L504-V507 PolarHBondContact O-N 2.9Å; V507-G509 VanDerWaalsContact C-N 3.35Å; V507-G509 PolarHBondContact O-N 3.14Å; V507-L510 PolarHBondContact O-N 3.29Å; V507-L511 HydrophobicContact CG1-CD1 4.02Å; V507-L511 WeakPolarHBondContact O-CB 3.44Å; V507-L511 WeakPolarHBondContact O-CG 3.4Å; V507-L511 PolarHBondContact O-N 3.08Å
508L84.1Confident80.6Confident105 Ų10598.6 Ų98.655%0.5553%0.525SS..Hα-helixtrans-61.5-43173.4-106.5103.2000111.8L504 S505 L510 L511 L512L504-L508 PolarHBondContact O-N 2.98Å; S505-L508 PolarHBondContact O-N 2.96Å; L508-L510 PolarHBondContact O-N 3.25Å; L508-L511 PolarHBondContact O-N 2.88Å; L508-L512 WeakPolarHBondContact O-CB 3.37Å; L508-L512 WeakPolarHBondContact O-CG 3.45Å; L508-L512 PolarHBondContact O-N 2.83Å
509G81.1Confident79.2Confident38 Ų3896.6 Ų96.639%0.39252%0.524SS..Hα-helixtrans-59.7-43.9175.600000112.4S505 A506 V507 L512 L513S505-G509 PolarHBondContact O-N 2.73Å; A506-G509 PolarHBondContact O-N 2.66Å; V507-G509 VanDerWaalsContact C-N 3.35Å; V507-G509 PolarHBondContact O-N 3.14Å; G509-L512 PolarHBondContact O-N 3Å; G509-L513 VanDerWaalsContact O-CB 3.3Å; G509-L513 WeakPolarHBondContact O-CB 3.16Å; G509-L513 PolarHBondContact O-N 2.95Å
510L78.1Confident77.9Confident75 Ų7596.2 Ų96.239%0.39352%0.519SS..Hα-helixtrans-65-37.3175.3-74.8168000112.5A506 V507 L508 R514 L524A506-L510 WeakPolarHBondContact O-CB 3.42Å; A506-L510 VanDerWaalsContact O-CG 3.32Å; A506-L510 WeakPolarHBondContact O-CG 3.25Å; A506-L510 PolarHBondContact O-N 2.66Å; V507-L510 PolarHBondContact O-N 3.29Å; L508-L510 PolarHBondContact O-N 3.25Å; L510-R514 WeakPolarHBondContact O-CB 3.3Å; L510-R514 PolarHBondContact O-N 3.28Å; L510-L524 HydrophobicContact CD2-CD2 4.18Å
511L78.2Confident76.6Confident102 Ų10293.4 Ų93.453%0.53450%0.501SS..Hα-helixtrans-68-41.9175.4-75.2166.4000112.1V507 L508 R514 W515V507-L511 HydrophobicContact CG1-CD1 4.02Å; V507-L511 WeakPolarHBondContact O-CB 3.44Å; V507-L511 WeakPolarHBondContact O-CG 3.4Å; V507-L511 PolarHBondContact O-N 3.08Å; L508-L511 PolarHBondContact O-N 2.88Å; L511-R514 WeakPolarHBondContact O-CB 3.32Å; L511-R514 PolarHBondContact O-N 3.09Å; L511-W515 PolarHBondContact O-N 2.72Å; L511-W515 VanDerWaalsContact O-N 3.08Å
512L76.9Confident75.2Confident97 Ų9797.4 Ų97.451%0.50851%0.506SS..Hα-helixtrans-65.6-42.5174.8-73.4168.6000111.6L508 G509 R514 W515 Q516L508-L512 WeakPolarHBondContact O-CB 3.37Å; L508-L512 WeakPolarHBondContact O-CG 3.45Å; L508-L512 PolarHBondContact O-N 2.83Å; G509-L512 PolarHBondContact O-N 3Å; L512-R514 VanDerWaalsContact C-N 3.28Å; L512-R514 PolarHBondContact O-N 3.15Å; L512-W515 PolarHBondContact O-N 2.8Å; L512-W515 VanDerWaalsContact O-N 3.09Å; L512-Q516 PolarHBondContact O-N 3.22Å
513L71.6Confident73.9Confident56 Ų56101.3 Ų101.329%0.29351%0.513SS..Hα-helixtrans-62.6-36.5175.5-163.378000111.6G509 W515 F517G509-L513 VanDerWaalsContact O-CB 3.3Å; G509-L513 WeakPolarHBondContact O-CB 3.16Å; G509-L513 PolarHBondContact O-N 2.95Å; L513-W515 VanDerWaalsContact C-N 3.34Å; L513-F517 CarbonylContact O-C 3.42Å; L513-F517 PolarHBondContact O-N 3.04Å; L513-F517 VanDerWaalsContact O-N 3.09Å
514R70.3Confident72.7Confident146 Ų146103.4 Ų103.455%0.55152%0.516SS*.Hα-helixtrans-65.4-34.3173.3-178.6177.3173.1153.8-3.4112.5L510 L511 L512 Y521L510-R514 WeakPolarHBondContact O-CB 3.3Å; L510-R514 PolarHBondContact O-N 3.28Å; L511-R514 WeakPolarHBondContact O-CB 3.32Å; L511-R514 PolarHBondContact O-N 3.09Å; L512-R514 VanDerWaalsContact C-N 3.28Å; L512-R514 PolarHBondContact O-N 3.15Å; R514-Y521 HydrophobicContact CB-CD2 3.83Å; R514-Y521 HydrophobicContact CB-CE2 4.01Å; R514-Y521 HydrophobicContact CB-CG 4.13Å; R514-Y521 HydrophobicContact CG-CD1 4.37Å; R514-Y521 HydrophobicContact CG-CD2 4.43Å; R514-Y521 HydrophobicContact CG-CE1 4.38Å; R514-Y521 HydrophobicContact CG-CE2 4.43Å; R514-Y521 HydrophobicContact CG-CG 4.4Å
515W68.3Low71.5Confident228 Ų228105.5 Ų105.586%0.86452%0.516SS*.Hα-helixtrans-77.9-51.1179.6-162.6-40000112L511 L512 L513L511-W515 PolarHBondContact O-N 2.72Å; L511-W515 VanDerWaalsContact O-N 3.08Å; L512-W515 PolarHBondContact O-N 2.8Å; L512-W515 VanDerWaalsContact O-N 3.09Å; L513-W515 VanDerWaalsContact C-N 3.34Å
516Q67.9Low70.2Confident138 Ų138108.1 Ų108.165%0.64552%0.52SS*.Hα-helixtrans-82.7-30.7-172.9-80.5177.1-8.900114.3L512L512-Q516 PolarHBondContact O-N 3.22Å
517F64.1Low69.3Low116 Ų116109.5 Ų109.551%0.50953%0.532SS..  trans-138.372.2-173.3-59.2-77.6000112.6L513 A519 H520 Y521L513-F517 CarbonylContact O-C 3.42Å; L513-F517 PolarHBondContact O-N 3.04Å; L513-F517 VanDerWaalsContact O-N 3.09Å; F517-A519 PolarHBondContact O-N 3.29Å; F517-A519 VanDerWaalsContact O-N 3.09Å; F517-H520 HydrophobicContact CB-CB 4.13Å; F517-H520 PolarHBondContact O-N 3.46Å; F517-Y521 PolarHBondContact O-N 3.13Å; F517-Y521 VanDerWaalsContact O-N 3.13Å
518P62.7Low68.4Low85 Ų85111.5 Ų111.555%0.55254%0.539SS*.Hα-helixtrans-59.8-26.8-175.920.4-31.1000113.8R522P518-R522 PolarHBondContact O-N 3.09Å
519A62.2Low67.1Low67 Ų67115.4 Ų115.455%0.55455%0.546SS*.Hα-helixtrans-74.4-33.6176.700000113.6F517F517-A519 PolarHBondContact O-N 3.29Å; F517-A519 VanDerWaalsContact O-N 3.09Å
520H62.8Low65.9Low105 Ų105118.1 Ų118.149%0.48656%0.557SS.*Hα-helixtrans-78.1-35.2175.4-83.911.8000112F517 R522 R523 L524F517-H520 HydrophobicContact CB-CB 4.13Å; F517-H520 PolarHBondContact O-N 3.46Å; H520-R522 PolarHBondContact O-N 2.87Å; H520-R523 WeakPolarHBondContact O-CB 3.45Å; H520-R523 PolarHBondContact O-N 3.34Å; H520-R523 VanDerWaalsContact O-N 3.14Å; H520-L524 PolarHBondContact O-N 3.3Å
521Y64Low64.7Low60 Ų60119.6 Ų119.624%0.23557%0.574CS.*Hα-helixtrans-60-41.8172.4-180-95.3000112.6R514 F517 R523 L524 R525R514-Y521 HydrophobicContact CB-CD2 3.83Å; R514-Y521 HydrophobicContact CB-CE2 4.01Å; R514-Y521 HydrophobicContact CB-CG 4.13Å; R514-Y521 HydrophobicContact CG-CD1 4.37Å; R514-Y521 HydrophobicContact CG-CD2 4.43Å; R514-Y521 HydrophobicContact CG-CE1 4.38Å; R514-Y521 HydrophobicContact CG-CE2 4.43Å; R514-Y521 HydrophobicContact CG-CG 4.4Å; F517-Y521 PolarHBondContact O-N 3.13Å; F517-Y521 VanDerWaalsContact O-N 3.13Å; Y521-R523 VanDerWaalsContact C-N 3.3Å; Y521-R523 PolarHBondContact O-N 3.38Å; Y521-L524 PolarHBondContact O-N 2.73Å; Y521-R525 WeakPolarHBondContact O-CB 3.47Å; Y521-R525 PolarHBondContact O-N 3.43Å
522R63Low63.5Low181 Ų181121.6 Ų121.668%0.68358%0.584SS**Hα-helixtrans-58.9-41.9173.2-86.6-174.3-179.8179.40.6111.9P518 H520 R525 H526P518-R522 PolarHBondContact O-N 3.09Å; H520-R522 PolarHBondContact O-N 2.87Å; R522-R525 PolarHBondContact O-N 3.48Å; R522-H526 PolarHBondContact O-CD2 3.33Å; R522-H526 PolarHBondContact O-N 3.33Å
523R64.3Low62.4Low179 Ų179122 Ų12268%0.67559%0.593SS**Hα-helixtrans-66.6-41.5-179.1-136.7-179.6-75.2-176.5-4.8111.9H520 Y521 H526 A527H520-R523 WeakPolarHBondContact O-CB 3.45Å; H520-R523 PolarHBondContact O-N 3.34Å; H520-R523 VanDerWaalsContact O-N 3.14Å; Y521-R523 VanDerWaalsContact C-N 3.3Å; Y521-R523 PolarHBondContact O-N 3.38Å; R523-H526 PolarHBondContact O-N 3Å; R523-A527 PolarHBondContact O-N 2.96Å
524L63.2Low61.6Low80 Ų80125.1 Ų125.142%0.41961%0.61SS.*Hα-helixtrans-69-39.7176.4-139.391.7000112.4L510 H520 Y521 H526 A527 L528L510-L524 HydrophobicContact CD2-CD2 4.18Å; H520-L524 PolarHBondContact O-N 3.3Å; Y521-L524 PolarHBondContact O-N 2.73Å; L524-H526 VanDerWaalsContact C-N 3.29Å; L524-H526 PolarHBondContact O-N 3.44Å; L524-A527 PolarHBondContact O-N 3.5Å; L524-A527 VanDerWaalsContact O-N 3.13Å; L524-L528 HydrophobicContact CD2-CD1 3.84Å; L524-L528 HydrophobicContact CG-CD1 4.15Å; L524-L528 PolarHBondContact O-N 2.86Å
525R63.3Low61Low156 Ų156124.6 Ų124.659%0.58962%0.617SS**Hα-helixtrans-59.3-39.7175.8-178.7179.6177.2170.50.3111.9Y521 R522 A527 W529Y521-R525 WeakPolarHBondContact O-CB 3.47Å; Y521-R525 PolarHBondContact O-N 3.43Å; R522-R525 PolarHBondContact O-N 3.48Å; R525-A527 VanDerWaalsContact C-N 3.31Å; R525-A527 PolarHBondContact O-N 3.4Å; R525-W529 CarbonylContact O-C 3.43Å; R525-W529 WeakPolarHBondContact O-CA 3.39Å; R525-W529 WeakPolarHBondContact O-CB 3.34Å; R525-W529 PolarHBondContact O-N 2.85Å; R525-W529 VanDerWaalsContact O-O 3.1Å
526H59.6Low60.5Low122 Ų122121 Ų12157%0.56561%0.61SS**Hα-helixtrans-73.1-22.3178.2-70.4-57000113.5R522 R523 L524R522-H526 PolarHBondContact O-CD2 3.33Å; R522-H526 PolarHBondContact O-N 3.33Å; R523-H526 PolarHBondContact O-N 3Å; L524-H526 VanDerWaalsContact C-N 3.29Å; L524-H526 PolarHBondContact O-N 3.44Å
527A65.8Low60.4Low82 Ų82123.8 Ų123.868%0.67862%0.615SS**Hα-helixtrans-83.8-39.4175.100000112.9R523 L524 R525R523-A527 PolarHBondContact O-N 2.96Å; L524-A527 PolarHBondContact O-N 3.5Å; L524-A527 VanDerWaalsContact O-N 3.13Å; R525-A527 VanDerWaalsContact C-N 3.31Å; R525-A527 PolarHBondContact O-N 3.4Å
528L64.3Low60.6Low123 Ų123122.2 Ų122.264%0.64461%0.614SS**Hα-helixtrans-85.7-22179.1-76.6159.2000113.3L524L524-L528 HydrophobicContact CD2-CD1 3.84Å; L524-L528 HydrophobicContact CG-CD1 4.15Å; L524-L528 PolarHBondContact O-N 2.86Å
529W58.7Low60.6Low187 Ų187122.8 Ų122.871%0.70861%0.612SS**SBendtrans-142.780.5-177.9-135.8-80.4000110.2R525 S531R525-W529 CarbonylContact O-C 3.43Å; R525-W529 WeakPolarHBondContact O-CA 3.39Å; R525-W529 WeakPolarHBondContact O-CB 3.34Å; R525-W529 PolarHBondContact O-N 2.85Å; R525-W529 VanDerWaalsContact O-O 3.1Å; W529-S531 PolarHBondContact O-N 2.92Å
530P55.5Low60.8Low96 Ų96120.7 Ų120.762%0.62360%0.597SS**PPolyproline II helixtrans-57141.1168.324.5-31.6000109L532P530-L532 PolarHBondContact O-N 2.93Å
531S52.6Low61Low106 Ų106120.9 Ų120.974%0.74160%0.598SS**PPolyproline II helixtrans-58.6121.7177.341.80000109.7W529W529-S531 PolarHBondContact O-N 2.92Å
532L52.3Low60.9Low143 Ų143126 Ų12675%0.74962%0.619SS**PPolyproline II helixtrans-46.9133.3176.9-77.7129.8000110.9P530P530-L532 PolarHBondContact O-N 2.93Å
533P54.7Low60.9Low106 Ų106122.6 Ų122.669%0.68861%0.613SS**PPolyproline II helixtrans-60.4140168.7-14.627.2000109.9L535P533-L535 PolarHBondContact O-N 3.41Å
534D54Low60.7Low121 Ų121122.5 Ų122.565%0.64761%0.613SS**  trans-55.5108-176.7-163.2-8.8000111.9H536 R537D534-H536 PolarHBondContact O-N 2.97Å; D534-H536 VanDerWaalsContact O-N 3.12Å; D534-R537 WeakPolarHBondContact O-CB 3.34Å; D534-R537 PolarHBondContact O-N 3.46Å
535L57.8Low60.6Low136 Ų136123.7 Ų123.771%0.71262%0.619SS**Hα-helixtrans-60.9-24.6-173.2-154.577000111.8P533 R537 V538 L539P533-L535 PolarHBondContact O-N 3.41Å; L535-R537 VanDerWaalsContact C-N 3.33Å; L535-V538 PolarHBondContact O-N 3.28Å; L535-L539 VanDerWaalsContact O-CB 3.29Å; L535-L539 WeakPolarHBondContact O-CB 3.35Å; L535-L539 PolarHBondContact O-N 3.33Å
536H58.8Low60.3Low153 Ų153119.9 Ų119.971%0.70861%0.614SS**Hα-helixtrans-69.3-32.1177.5-120.74.8000112.8D534 G540D534-H536 PolarHBondContact O-N 2.97Å; D534-H536 VanDerWaalsContact O-N 3.12Å; H536-G540 PolarHBondContact O-N 2.99Å
537R65.8Low60.2Low196 Ų196117.5 Ų117.574%0.7462%0.615SS**Hα-helixtrans-74-37177.4-162177.4179.6-174.80.4111.4D534 L535 Q541D534-R537 WeakPolarHBondContact O-CB 3.34Å; D534-R537 PolarHBondContact O-N 3.46Å; L535-R537 VanDerWaalsContact C-N 3.33Å; R537-Q541 WeakPolarHBondContact O-CB 3.29Å; R537-Q541 PolarHBondContact O-N 3.45Å
538V67.7Low59.6Low83 Ų83117.6 Ų117.650%0.50362%0.616SS.*Hα-helixtrans-73.3-42.9178.4-1760000111.1L535 Q541 Y542L535-V538 PolarHBondContact O-N 3.28Å; V538-Q541 PolarHBondContact O-N 2.9Å; V538-Y542 PolarHBondContact O-N 3.09Å
539L63.2Low59Low96 Ų96118.8 Ų118.850%0.50362%0.622SS.*Hα-helixtrans-68.4-38.9177.8-166.471.5000112.2L535 Q541 Y542 L543L535-L539 VanDerWaalsContact O-CB 3.29Å; L535-L539 WeakPolarHBondContact O-CB 3.35Å; L535-L539 PolarHBondContact O-N 3.33Å; L539-Q541 PolarHBondContact O-N 2.99Å; L539-Y542 PolarHBondContact O-N 2.95Å; L539-L543 HydrophobicContact CG-CD1 4.11Å; L539-L543 WeakPolarHBondContact O-CB 3.39Å; L539-L543 VanDerWaalsContact O-CG 3.31Å; L539-L543 WeakPolarHBondContact O-CG 3.37Å; L539-L543 PolarHBondContact O-N 2.88Å
540G65.1Low58.3Low24 Ų24114.4 Ų114.425%0.24762%0.62CS.*Hα-helixtrans-70.5-15.4176.500000114.6H536 R544H536-G540 PolarHBondContact O-N 2.99Å; G540-R544 PolarHBondContact O-NE 2.89Å; G540-R544 VanDerWaalsContact O-NE 3.17Å; G540-R544 PolarHBondContact O-NH2 3.4Å
541Q68.1Low57.8Low109 Ų109115.5 Ų115.551%0.50963%0.627SS.*Hα-helixtrans-88.9-43.1173.7-153.7155.6-21.300110R537 V538 L539 L543 R544 D545R537-Q541 WeakPolarHBondContact O-CB 3.29Å; R537-Q541 PolarHBondContact O-N 3.45Å; V538-Q541 PolarHBondContact O-N 2.9Å; L539-Q541 PolarHBondContact O-N 2.99Å; Q541-L543 PolarHBondContact O-N 3.08Å; Q541-R544 PolarHBondContact O-N 2.77Å; Q541-R544 VanDerWaalsContact O-N 3.14Å; Q541-D545 PolarHBondContact O-N 3.13Å
542Y62.2Low57.3Low168 Ų168116.5 Ų116.566%0.65963%0.631SS**Hα-helixtrans-62.9-37.5174.1-142.4-90.3000113.5V538 L539 R544 T546V538-Y542 PolarHBondContact O-N 3.09Å; L539-Y542 PolarHBondContact O-N 2.95Å; Y542-R544 VanDerWaalsContact C-N 3.34Å; Y542-T546 HydrophobicContact CD1-CG2 4.48Å; Y542-T546 PolarHBondContact O-N 2.87Å; Y542-T546 VanDerWaalsContact O-N 3.12Å; Y542-T546 PolarHBondContact O-OG1 3.4Å
543L61.3Low56.5Low108 Ų108119.7 Ų119.757%0.56564%0.639SS**Hα-helixtrans-71.9-25.9175.3-73.5170.5000113.1L539 Q541 T546 A547L539-L543 HydrophobicContact CG-CD1 4.11Å; L539-L543 WeakPolarHBondContact O-CB 3.39Å; L539-L543 VanDerWaalsContact O-CG 3.31Å; L539-L543 WeakPolarHBondContact O-CG 3.37Å; L539-L543 PolarHBondContact O-N 2.88Å; Q541-L543 PolarHBondContact O-N 3.08Å; L543-T546 WeakPolarHBondContact CA-OG1 3.24Å; L543-T546 PolarHBondContact O-OG1 3.09Å; L543-A547 WeakPolarHBondContact O-CB 3.32Å; L543-A547 PolarHBondContact O-N 3.08Å
544R61.6Low55.4Low178 Ų178119.2 Ų119.267%0.67264%0.644SS**Hα-helixtrans-77.1-38.9175-117.8177.2-72169.6-6.5111.4G540 Q541 Y542 A547 A548G540-R544 PolarHBondContact O-NE 2.89Å; G540-R544 VanDerWaalsContact O-NE 3.17Å; G540-R544 PolarHBondContact O-NH2 3.4Å; Q541-R544 PolarHBondContact O-N 2.77Å; Q541-R544 VanDerWaalsContact O-N 3.14Å; Y542-R544 VanDerWaalsContact C-N 3.34Å; R544-A547 PolarHBondContact O-N 3.33Å; R544-A548 PolarHBondContact O-N 2.97Å
545D60.8Low54.4Low104 Ų104119.8 Ų119.856%0.55665%0.652SS**Hα-helixtrans-72.7-29.3179.1-65.2-19.8000112.3Q541Q541-D545 PolarHBondContact O-N 3.13Å
546T57.5Low53.4Low77 Ų77119.8 Ų119.847%0.47266%0.657SS.*Hα-helixtrans-79.3-25.9173.741.50000113.7Y542 L543 A548Y542-T546 HydrophobicContact CD1-CG2 4.48Å; Y542-T546 PolarHBondContact O-N 2.87Å; Y542-T546 VanDerWaalsContact O-N 3.12Å; Y542-T546 PolarHBondContact O-OG1 3.4Å; L543-T546 WeakPolarHBondContact CA-OG1 3.24Å; L543-T546 PolarHBondContact O-OG1 3.09Å; T546-A548 VanDerWaalsContact C-N 3.3Å
547A55.8Low52.2Low72 Ų72118.1 Ų118.160%0.59566%0.663SS**Hα-helixtrans-76.7-13.8174.200000113.8L543 R544L543-A547 WeakPolarHBondContact O-CB 3.32Å; L543-A547 PolarHBondContact O-N 3.08Å; R544-A547 PolarHBondContact O-N 3.33Å
548A54.1Low50.6Low83 Ų83115.7 Ų115.769%0.68666%0.664SS**THydrogen-bonded Turntrans-87.3-3.117800000114.4R544 T546R544-A548 PolarHBondContact O-N 2.97Å; T546-A548 VanDerWaalsContact C-N 3.3Å
549L50.9Low48.7Very low149 Ų149118.1 Ų118.178%0.7868%0.679SS**SBendtrans-117.914.9-174-81.1162.5000115.2
550S45.4Very low47Very low94 Ų94119 Ų11966%0.65769%0.692SS**  trans-105.7116.2173.758.10000112.8
551P44.9Very low45.5Very low120 Ų120126.2 Ų126.278%0.77972%0.72SS**  trans-78.4157.5164.329.3-30.5000112
552P40.4Very low44Very low127 Ų127130.1 Ų130.183%0.82574%0.738SS**  trans-86.7153.6-163.634-34.7000115.3
553K36.8Very low42.6Very low210 Ų210128.6 Ų128.691%0.91375%0.746SS**  trans-17.1132.2159.1-105.7167.3173.7172.60117.6
554A31.6Very low41.7Very low95 Ų95132.1 Ų132.179%0.78576%0.759SS**  trans-13899.4145.800000107.7
555T32.6Very low40.7Very low134 Ų134128.7 Ų128.782%0.82276%0.76SS**  68.899.6100.9-39.30000113.3
556V36.8Very low39.1Very low135 Ų135128.9 Ų128.982%0.81877%0.77SS**  trans-71.1132.6166.8170.10000109.2
557S33.6Very low37.8Very low119 Ų119132.3 Ų132.383%0.83278%0.784SS**  trans-141.2130.5145.575.50000110.5
558D32.2Very low36.6Very low144 Ų144136.7 Ų136.777%0.7780%0.797SS**  trans-85.6134.1-169-170.211.5000111.4
559T27.7Very low35.7Very low134 Ų134140.5 Ų140.582%0.82280%0.801SS**  trans-163.1108.1151.641.30000111.3
560C28.5Very low34.8Very low114 Ų114141.1 Ų141.177%0.7780%0.803SS**  trans50123.1135.6-63.20000123.4
561E33.5Very low34.1Very low177 Ų177143.4 Ų143.483%0.82781%0.807SS**  trans66.9106.6136.2-66.5-166.4162.400121.7
562E36.2Very low33.6Very low191 Ų191143.6 Ų143.689%0.89381%0.808SS**  45.880.4125.1-149.1169.1-148.600118
563V33.1Very low33Very low136 Ų136147.3 Ų147.382%0.82481%0.812SS**  trans-142.1115.9147.8179.30000108.5
564E41.7Very low32.6Very low181 Ų181141.9 Ų141.985%0.84680%0.8SS**  trans-70.8136171.2-169.1168.717600110.3
565P39.8Very low32.4Very low106 Ų106142.4 Ų142.469%0.68880%0.798SS**  -152.6143.6111.236.3-16.8000117
566S27.8Very low32.2Very low108 Ų108143.3 Ų143.376%0.75579%0.793SS**  trans48.3151.3134.1680000122.9
567L30.9Very low31.7Very low149 Ų149146.9 Ų146.978%0.7879%0.792SS**  cis-178.7120.9-24.6178.4123000103.4
568L31.1Very low31.4Very low165 Ų165146.8 Ų146.886%0.86479%0.786SS**  trans-14788.5159.3-15097.4000109.1
569E33.5Very low31.3Very low163 Ų163145.9 Ų145.976%0.76279%0.788SS**  trans-119.9127.7163.8-85.6-169.9158.800109.1
570I33.6Very low31.3Very low161 Ų161147.2 Ų147.283%0.82679%0.789SS**  trans-96.6110.1171.1-62.6169.9000106.4
571L30.2Very low31.5Very low142 Ų142146.9 Ų146.974%0.74379%0.786SS**  trans-118.6136166.6-93.3156.1000108.2
572P34.8Very low31.1Very low125 Ų125146.6 Ų146.681%0.81279%0.789SS**  trans-85.4135.7171.632.7-28.2000110.1
573K26.7Very low30.4Very low205 Ų205143.1 Ų143.189%0.89178%0.784SS**  trans-130.8156171.9-144.9178.2-178176.90112.6
574S29.1Very low29.8Very low95 Ų95142 Ų14266%0.66478%0.783SS**  trans-66.8159.2-16955.10000119.7
575S28.1Very low29Very low106 Ų106138 Ų13874%0.74178%0.775SS**  trans57.3130.8134.7-1520000123.9
576E27.3Very low28.2Very low154 Ų154141.6 Ų141.672%0.7278%0.782SS**  trans91.9118141.3-98.6-175.6139.600124.8
577R25.5Very low28Very low210 Ų210141.5 Ų141.579%0.79278%0.782SS**  trans66.1110.5131.4-139.5165.5-153.6153.51.1123.7
578T28.6Very low27.6Very low116 Ų116141.8 Ų141.871%0.71278%0.779SS**  trans34.1145.1142-3.40000122.9
579P29.1Very low27.3Very low126 Ų126140.4 Ų140.482%0.81877%0.77SS**  -148165.882.933.6-12.3000117.2
580L28.5Very low26.8Very low161 Ų161137.5 Ų137.584%0.84376%0.759SS**  trans-67.5177.9164.1-70.4165000111.1
581P32.9Very low26.3Very low108 Ų108137.8 Ų137.870%0.70175%0.751SS**  cis-142.1175.913.238.3-16.7000116.5
582L24.1Very low26.1Very low171 Ų171139.6 Ų139.690%0.89575%0.748SS**  165.8142.7129.8-89.4154.3000113
583C21.6Very low25.4Very low117 Ų117142.2 Ų142.279%0.79174%0.742SS**  trans-78176.9-162.3-69.70000118.1
584S21.9Very low25.4Very low114 Ų114139.8 Ų139.880%0.79774%0.738SS**  trans96.8136.3151.9770000115.4
585S23.3Very low25.2Very low97 Ų97143 Ų14368%0.67874%0.743SS**  cis-173.5149.6-3.648.80000110
586Q24.2Very low25.3Very low180 Ų180143.9 Ų143.984%0.84175%0.746SS**  trans79.3132.2138.4-128.3160.6-000122.9
587S23.9Very low25.1Very low106 Ų106140.9 Ų140.974%0.74174%0.742SS**  trans83.5152.4142.374.90000119.1
588Q22.2Very low24.9Very low155 Ų155136.7 Ų136.772%0.72474%0.743SS**  cis172.8139.3-22.1179.3174.9-14.700104.2
589M24.5Very low24.7Very low136 Ų136139.1 Ų139.167%0.6775%0.751SS**  trans63.3123.9151.1-83.2-175.3167.400122.9
590D22.3Very low24.4Very low102 Ų102136.2 Ų136.255%0.54574%0.744SS.*  130.913094.2-98.2-12.6000119.9
591Y23.6Very low24.1Very low167 Ų167135.5 Ų135.566%0.65575%0.746SS**  trans75.5110.4135.9-77-52.1000124.8
592R25.2Very low23.6Very low181 Ų181138.3 Ų138.368%0.68375%0.752SS**  66.9129.1109-106.5-175.3-176.9168.70.5122
593R21.9Very low23.7Very low180 Ų180136.3 Ų136.368%0.67975%0.749SS**  85118.4124.6-146.8-162.8-67.7-144.12.7116.6
594L26.1Very low23.8Very low154 Ų154138.4 Ų138.481%0.80675%0.752SS**  175.2122.5104.7-89.6157.6000111.8
595Q24.7Very low23.8Very low163 Ų163138 Ų13876%0.76275%0.749SS**  trans-74.2163.7151.7-148173.6-11.100108.1
596P30Very low23.7Very low124 Ų124139.7 Ų139.781%0.80576%0.755SS**  -144.6163.310133-14.6000115.4
597S22.8Very low23.6Very low91 Ų91136.6 Ų136.664%0.63675%0.752SS**  trans-87.3167.7-179.438.40000114.2
598C22.4Very low24Very low121 Ų121137.3 Ų137.382%0.81875%0.754SS**  trans156155135.8-79.50000110.4
599L23.6Very low24.3Very low168 Ų168135.5 Ų135.588%0.8876%0.756SS**  cis178140.9-37.8-128.2160.8000106.5
600G22.8Very low24.3Very low65 Ų65138.3 Ų138.367%0.6777%0.769SS**  trans88.5144.8160.700000117.4
601T21.9Very low24.4Very low146 Ų146138.3 Ų138.390%0.89678%0.784SS**  cis-169.2156.116.1-39.30000109.7
602M22.5Very low24.4Very low166 Ų166139.1 Ų139.182%0.81879%0.794SS**  trans-71.7167.1174.2-97-162.2152.200115.1
603P27.1Very low24.4Very low129 Ų129136.3 Ų136.384%0.83880%0.802SS**  -144.4174.7110.135.2-16.9000116.9
604L22.6Very low24.4Very low162 Ų162131.3 Ų131.385%0.84881%0.806SS**  trans-84.7155.6-167-77.6150.7000117.4
605S22.4Very low24.4Very low106 Ų106129.5 Ų129.574%0.74181%0.807SS**  trans79124135.4179.10000122.6
606V21.9Very low24.4Very low132 Ų132127.4 Ų127.480%0.881%0.808SS**  157.4125.5120.5168.80000111.3
607C21.3Very low24.3Very low115 Ų115126.9 Ų126.978%0.77781%0.807SS**  trans-83.1163.6163.1-69.30000110.7
608P31.5Very low24.6Very low120 Ų120128.8 Ų128.878%0.77981%0.814SS**  cis-152.4-145.638.242.7-18.2000113.1
609P30.2Very low25Very low118 Ų118128 Ų12877%0.76681%0.806SS**  cis-120.2177.3-37.128.5-7.3000114.5
610M24.7Very low25.2Very low194 Ų194129.4 Ų129.496%0.95681%0.808SS**  trans-15.8133.5168.3-87.9179.1164.300119.7
611A23.9Very low25.6Very low103 Ų103133.1 Ų133.185%0.85181%0.811SS**  trans-148.7128.3143.700000110.2
612E23.9Very low25.8Very low184 Ų184131 Ų13186%0.8681%0.808SS**  trans-69.3163.9171.2-72.6178.413800112.6
613S23.7Very low26.1Very low122 Ų122129.3 Ų129.385%0.85380%0.802SS**  trans92.9128.5156.9-51.80000117.5
614G23.3Very low26.2Very low75 Ų75131 Ų13177%0.77380%0.798SS**  trans128.999.5142.600000116.4
615S25.5Very low26.4Very low116 Ų116128.2 Ų128.281%0.81179%0.793SS**  trans-18.9126.5143174.50000115.2
616C24.9Very low26.9Very low118 Ų118134.5 Ų134.580%0.79780%0.802SS**  -179.5132.6124.5-97.10000112.8
617C27.5Very low27.5Very low114 Ų114135.9 Ų135.977%0.7780%0.804SS**  trans-70.4167.2153.5-64.70000110.7
618T30Very low28.4Very low130 Ų130132.6 Ų132.680%0.79878%0.781SS**  trans98.2134.3178.665.60000113.7
619T29.8Very low29Very low105 Ų105131.8 Ų131.864%0.64477%0.77SS**  cis-166.6153.99.419.40000108.1
620H27.9Very low30Very low198 Ų198128.5 Ų128.592%0.91775%0.75SS**  trans-136.5119.5145-113.1-81.4000109.7
621I30.4Very low31.5Very low142 Ų142127 Ų12773%0.72873%0.734SS**  trans-88.9135.4-178.7-69.7165.1000108.9
622A25.9Very low33.3Very low102 Ų102125 Ų12584%0.84371%0.705SS**  trans-118.3148.1152.900000109.2
623N29Very low34.3Very low130 Ų130123.2 Ų123.270%0.69570%0.696SS**  trans-77.7156.5-152.5-130.2-13.3000114.8
624H29.1Very low34.9Very low164 Ų164124.3 Ų124.376%0.75969%0.688SS**  trans76.192167-52.3-65000118.8
625S28.3Very low35.7Very low104 Ų104128.5 Ų128.573%0.72770%0.702SS**  trans-177.5146.513135.80000109.3L627S625-L627 PolarHBondContact O-N 3.23Å
626Y32.2Very low36.2Very low239 Ų239129.1 Ų129.194%0.93770%0.696SS**  trans-50.8112.3176.9-75.6-97.1000109.9
627L33.7Very low36.8Very low161 Ų161129.7 Ų129.784%0.84369%0.691SS**  trans-79.3124.9175.6-77.1165.3000108.8S625S625-L627 PolarHBondContact O-N 3.23Å
628P40.9Very low37.3Very low46 Ų46130.6 Ų130.630%0.29969%0.686SS.*  trans-69.5137.2163.328.9-30.5000109.6E450 S630E450-P628 HydrophobicContact CB-CB 3.56Å; E450-P628 HydrophobicContact CG-CB 4.04Å; E450-P628 WeakPolarHBondContact O-CB 3.37Å; E450-P628 WeakPolarHBondContact OE2-CA 3.49Å; P628-S630 PolarHBondContact O-N 2.94Å
629L44.2Very low37.7Very low103 Ų103130.6 Ų130.654%0.53968%0.68SS.*  trans-74.5111.2174.5-75.9156.8000108.6E450 Y631E450-L629 VanDerWaalsContact CD-N 3.29Å; E450-L629 WeakPolarHBondContact CG-O 3.44Å; E450-L629 PolarHBondContact OE2-N 3.5Å; L629-Y631 HydrophobicContact CB-CD2 4.47Å; L629-Y631 HydrophobicContact CB-CE2 3.96Å; L629-Y631 HydrophobicContact CD2-CE2 4.42Å
630S50.4Low38.2Very low49 Ų49132.2 Ų132.234%0.34368%0.682SS.*  trans-102115.1171.449.70000109.9T448 P628T448-S630 WeakPolarHBondContact O-CA 3.32Å; T448-S630 VanDerWaalsContact O-CB 3.25Å; T448-S630 WeakPolarHBondContact O-CB 3.49Å; P628-S630 PolarHBondContact O-N 2.94Å
631Y56.8Low38.9Very low162 Ų162127.8 Ų127.864%0.63567%0.666SS**  trans-99.8127.5172-69.4-81.9000109.3G447 T448 L629G447-Y631 WeakPolarHBondContact CA-O 3.33Å; T448-Y631 PolarHBondContact N-O 3.45Å; T448-Y631 PolarHBondContact OG1-N 2.93Å; T448-Y631 PolarHBondContact OG1-O 2.97Å; L629-Y631 HydrophobicContact CB-CD2 4.47Å; L629-Y631 HydrophobicContact CB-CE2 3.96Å; L629-Y631 HydrophobicContact CD2-CE2 4.42Å
632W62.8Low39.5Very low62 Ų62126.8 Ų126.824%0.23566%0.662CS.*BIsolated β-bridgetrans-106.5134177.7-55103.3000109.3W410 P440 P441 G447W410-W632 HydrophobicContact CH2-CE3 4.18Å; W410-W632 AromaticContact CH2-CZ3 3.63Å; W410-W632 HydrophobicContact CH2-CZ3 3.63Å; W410-W632 HydrophobicContact CZ3-CZ3 4.25Å; P440-W632 HydrophobicContact CB-CD2 4.19Å; P440-W632 HydrophobicContact CB-CE3 3.93Å; P440-W632 HydrophobicContact CB-CH2 4.21Å; P440-W632 HydrophobicContact CB-CZ2 4.37Å; P440-W632 HydrophobicContact CB-CZ3 4Å; P440-W632 HydrophobicContact CG-CE3 4.34Å; P440-W632 HydrophobicContact CG-CH2 3.8Å; P440-W632 HydrophobicContact CG-CZ2 4.21Å; P440-W632 HydrophobicContact CG-CZ3 3.89Å; P441-W632 HydrophobicContact CG-CB 3.65Å; P441-W632 HydrophobicContact CG-CG 3.88Å; G447-W632 VanDerWaalsContact CA-CE3 3.5Å
633Q43.9Very low40.6Very low145 Ų145128.7 Ų128.768%0.67865%0.648SS**  trans-88.6125.3172.9-79.3174.6-20.500109.8
634Q35.3Very low41.5Very low145 Ų145128.6 Ų128.668%0.67864%0.644SS**  trans-94.1149.3163.4-79.7-179.1-32.600109.2
635P40.7Very low42.6Very low163 Ų163125.4 Ų125.4100%1.05863%0.634SS**  trans-61.50179.226.1-34.2000113.8

Retrieved 635 of 635 residues in 161.1 ms (Link to these results)