A0A087YFS6_POEFO Loading...

Immunoglobulin superfamily member 21

Involved in synaptic inhibition in the brain. Selectively regulates inhibitory presynaptic differentiation through interacting with presynaptic NRXN2.

AlphaFold DB , UniProt , Accession A0A087YFS6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 472 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
1M51.8Low54.5Low211 Ų211113.9 Ų113.9100%1.03963%0.626SS**  035.10-65.2-123.573.500112.3
2T57.5Low54.1Low111 Ų111108.3 Ų108.368%0.68161%0.605SS**  trans-116.9-26.6-17245.60000113.1L6T2-L6 PolarHBondContact O-N 3.17Å
3V55.1Low53.4Low118 Ų118107.6 Ų107.672%0.71560%0.6SS**Hα-helixtrans-76.4-37.1179.1-172.90000112C7V3-C7 WeakPolarHBondContact O-CB 3.44Å; V3-C7 PolarHBondContact O-N 3.23Å; V3-C7 VanDerWaalsContact O-N 3.15Å
4F53.7Low52.9Low166 Ų166109 Ų10973%0.72860%0.604SS**Hα-helixtrans-68-35.1177-97.7-85.8000112.9L8F4-L8 PolarHBondContact O-N 3.25Å; F4-L8 VanDerWaalsContact O-N 3.11Å
5S56.3Low52.4Low69 Ų69109.9 Ų109.948%0.48361%0.607SS.*Hα-helixtrans-73.3-35179.3-160.70000112.3L9S5-L9 WeakPolarHBondContact O-CD1 3.27Å; S5-L9 WeakPolarHBondContact O-CG 3.26Å; S5-L9 PolarHBondContact O-N 3.32Å; S5-L9 VanDerWaalsContact O-N 3.16Å
6L54.5Low51.9Low114 Ų114111.2 Ų111.260%0.59761%0.612SS**Hα-helixtrans-70.2-37.1175.1-125.587.4000111.9T2 L9 L10T2-L6 PolarHBondContact O-N 3.17Å; L6-L9 PolarHBondContact O-N 2.95Å; L6-L10 WeakPolarHBondContact O-CB 3.15Å; L6-L10 WeakPolarHBondContact O-CG 3.35Å; L6-L10 PolarHBondContact O-N 2.76Å
7C55.4Low51.6Low72 Ų72112.3 Ų112.349%0.48662%0.616SS.*Hα-helixtrans-68.4-37177.3-154.60000111.7V3 C11V3-C7 WeakPolarHBondContact O-CB 3.44Å; V3-C7 PolarHBondContact O-N 3.23Å; V3-C7 VanDerWaalsContact O-N 3.15Å; C7-C11 VanDerWaalsContact O-CB 3.24Å; C7-C11 WeakPolarHBondContact O-CB 3.4Å; C7-C11 PolarHBondContact O-N 2.8Å; C7-C11 PolarHBondContact O-SG 2.57Å
8L56.7Low51.6Low122 Ų122108.6 Ų108.664%0.63960%0.603SS**Hα-helixtrans-67.3-37.6173.8-85.6157000113F4 A12F4-L8 PolarHBondContact O-N 3.25Å; F4-L8 VanDerWaalsContact O-N 3.11Å; L8-A12 WeakPolarHBondContact O-CB 3.11Å; L8-A12 PolarHBondContact O-N 3.04Å
9L54.9Low51.9Low103 Ų103108.6 Ų108.654%0.53961%0.606SS.*Hα-helixtrans-70.1-44175-77.7160.1000111.9S5 L6 C11 A12 D13S5-L9 WeakPolarHBondContact O-CD1 3.27Å; S5-L9 WeakPolarHBondContact O-CG 3.26Å; S5-L9 PolarHBondContact O-N 3.32Å; S5-L9 VanDerWaalsContact O-N 3.16Å; L6-L9 PolarHBondContact O-N 2.95Å; L9-C11 VanDerWaalsContact C-N 3.33Å; L9-C11 PolarHBondContact O-N 2.87Å; L9-A12 PolarHBondContact O-N 2.73Å; L9-A12 VanDerWaalsContact O-N 3.16Å; L9-D13 PolarHBondContact O-N 3.19Å
10L52Low52.5Low102 Ų102103.9 Ų103.953%0.53458%0.583SS.*Hα-helixtrans-64.1-36174.2-78.9160.3000112.5L6 L14L6-L10 WeakPolarHBondContact O-CB 3.15Å; L6-L10 WeakPolarHBondContact O-CG 3.35Å; L6-L10 PolarHBondContact O-N 2.76Å; L10-L14 WeakPolarHBondContact O-CB 3.38Å; L10-L14 WeakPolarHBondContact O-CD1 3.43Å; L10-L14 PolarHBondContact O-N 3.38Å
11C51.2Low53.6Low65 Ų65104.4 Ų104.444%0.43958%0.577SS.*Hα-helixtrans-71-31.2173.2-76.30000112.8C7 L9 L15C7-C11 VanDerWaalsContact O-CB 3.24Å; C7-C11 WeakPolarHBondContact O-CB 3.4Å; C7-C11 PolarHBondContact O-N 2.8Å; C7-C11 PolarHBondContact O-SG 2.57Å; L9-C11 VanDerWaalsContact C-N 3.33Å; L9-C11 PolarHBondContact O-N 2.87Å; C11-L15 WeakPolarHBondContact O-CB 3.19Å; C11-L15 WeakPolarHBondContact O-CD1 3.45Å; C11-L15 VanDerWaalsContact O-CG 3.3Å; C11-L15 WeakPolarHBondContact O-CG 3.41Å; C11-L15 PolarHBondContact O-N 3.32Å
12A50.3Low55.1Low46 Ų4695.5 Ų95.538%0.3853%0.533SS..Hα-helixtrans-71.2-41.5174.200000111.7L8 L9 L14 L15 D16L8-A12 WeakPolarHBondContact O-CB 3.11Å; L8-A12 PolarHBondContact O-N 3.04Å; L9-A12 PolarHBondContact O-N 2.73Å; L9-A12 VanDerWaalsContact O-N 3.16Å; A12-L14 VanDerWaalsContact C-N 3.31Å; A12-L14 PolarHBondContact O-N 3.35Å; A12-L15 WeakPolarHBondContact O-CB 3.12Å; A12-L15 PolarHBondContact O-N 3.04Å; A12-L15 VanDerWaalsContact O-N 3.13Å; A12-D16 PolarHBondContact O-N 2.82Å
13D44.4Very low56.5Low100 Ų10093.7 Ų93.754%0.53552%0.522SS..Hα-helixtrans-67-31.4174-68.8-29.1000112.2L9 L17L9-D13 PolarHBondContact O-N 3.19Å; D13-L17 PolarHBondContact O-N 3.28Å
14L46.9Very low58.1Low127 Ų12789.2 Ų89.267%0.66550%0.495SS*.Hα-helixtrans-73.4-26.2171.2-99.6142.5000113.4L10 A12L10-L14 WeakPolarHBondContact O-CB 3.38Å; L10-L14 WeakPolarHBondContact O-CD1 3.43Å; L10-L14 PolarHBondContact O-N 3.38Å; A12-L14 VanDerWaalsContact C-N 3.31Å; A12-L14 PolarHBondContact O-N 3.35Å
15L44.9Very low59.8Low122 Ų12285.3 Ų85.364%0.63949%0.485SS*.Hα-helixtrans-77.5-33.1174.4-83.6159000111.8C11 A12 L17 A18C11-L15 WeakPolarHBondContact O-CB 3.19Å; C11-L15 WeakPolarHBondContact O-CD1 3.45Å; C11-L15 VanDerWaalsContact O-CG 3.3Å; C11-L15 WeakPolarHBondContact O-CG 3.41Å; C11-L15 PolarHBondContact O-N 3.32Å; A12-L15 WeakPolarHBondContact O-CB 3.12Å; A12-L15 PolarHBondContact O-N 3.04Å; A12-L15 VanDerWaalsContact O-N 3.13Å; L15-L17 VanDerWaalsContact C-N 3.33Å; L15-A18 WeakPolarHBondContact O-CB 3.44Å; L15-A18 PolarHBondContact O-N 3.26Å
16D44.3Very low61.4Low131 Ų13183.5 Ų83.570%0.70147%0.469SS*.Hα-helixtrans-71.5-25.5174.2-101.4-14.4000113A12 A18A12-D16 PolarHBondContact O-N 2.82Å; D16-A18 VanDerWaalsContact C-N 3.25Å; D16-A18 PolarHBondContact O-N 2.92Å
17L47.9Very low63.1Low130 Ų13082 Ų8268%0.68146%0.459SS*.THydrogen-bonded Turntrans-76.5-6.5170.8-103.988.4000114.4D13 L15D13-L17 PolarHBondContact O-N 3.28Å; L15-L17 VanDerWaalsContact C-N 3.33Å
18A51.3Low64.7Low45 Ų4583.9 Ų83.937%0.37247%0.471SS..THydrogen-bonded Turntrans-95.2-6.7-173.900000114.1L15 D16L15-A18 WeakPolarHBondContact O-CB 3.44Å; L15-A18 PolarHBondContact O-N 3.26Å; D16-A18 VanDerWaalsContact C-N 3.25Å; D16-A18 PolarHBondContact O-N 2.92Å
19V57.1Low66.2Low109 Ų10980.4 Ų80.466%0.66145%0.452SS*.SBendtrans-97.9105.4179.1-1730000108.9Y21V19-Y21 PolarHBondContact O-N 3.08Å
20G62.9Low68Low14 Ų1480 Ų8014%0.14446%0.456CS..  trans-59.4136.2172.100000110.7D47G20-D47 WeakPolarHBondContact CA-OD1 3.12Å
21Y76.9Confident70Confident116 Ų11678.5 Ų78.546%0.45545%0.452SS..  trans-94.8139.1178.675-93.4000110.8V19 K45 T46 D47V19-Y21 PolarHBondContact O-N 3.08Å; Y21-K45 HydrophobicContact CE2-CB 4.19Å; Y21-T46 VanDerWaalsContact O-CA 3.29Å; Y21-T46 WeakPolarHBondContact O-CA 3.5Å; Y21-T46 PolarHBondContact O-OG1 2.98Å; Y21-D47 HydrophobicContact CD1-CB 3.88Å; Y21-D47 VanDerWaalsContact CD1-CG 3.43Å; Y21-D47 HydrophobicContact CE1-CB 3.46Å; Y21-D47 VanDerWaalsContact CE1-CB 3.46Å; Y21-D47 PolarHBondContact N-OD1 3.22Å
22L83.4Confident72Confident24 Ų2476 Ų7613%0.12644%0.435CS..EExtended strand (participates in β ladder)trans-140118.1173.6178.362.3000108.9V24 F44 T46 V114 I116 A128L22-V24 HydrophobicContact CD1-CG2 4.4Å; L22-V24 HydrophobicContact CG-CG2 4.44Å; L22-F44 HydrophobicContact CD1-CD2 4.46Å; L22-T46 HydrophobicContact CD1-CG2 4.45Å; L22-V114 HydrophobicContact CD1-CB 4.49Å; L22-V114 HydrophobicContact CD1-CG1 4.02Å; L22-V114 HydrophobicContact CD2-CB 4.48Å; L22-V114 HydrophobicContact CD2-CG1 4.45Å; L22-V114 WeakPolarHBondContact CD2-O 3.46Å; L22-I116 HydrophobicContact CB-CD1 3.94Å; L22-I116 HydrophobicContact CD1-CG2 4.1Å; L22-I116 HydrophobicContact CD2-CD1 4.42Å; L22-I116 HydrophobicContact CD2-CG1 4.24Å; L22-I116 HydrophobicContact CD2-CG2 4.29Å; L22-A128 HydrophobicContact CB-CB 4.38Å; L22-A128 HydrophobicContact CD2-CB 3.45Å; L22-A128 VanDerWaalsContact CD2-CB 3.45Å; L22-A128 HydrophobicContact CG-CB 3.57Å
23T85.7Confident74.2Confident73 Ų7375.2 Ų75.245%0.44843%0.425SS..EExtended strand (participates in β ladder)trans-121.1128.9174.560.50000109.4F44 K45T23-F44 CarbonylContact O-C 3.55Å; T23-F44 WeakPolarHBondContact O-CA 3.42Å; T23-F44 WeakPolarHBondContact O-CB 3.3Å; T23-K45 PolarHBondContact N-O 3Å; T23-K45 PolarHBondContact O-N 3.2Å
24V89.9Confident76.5Confident23 Ų2373.1 Ų73.114%0.13942%0.416CS..EExtended strand (participates in β ladder)trans-117.2130.9178.6177.90000108.9L22 C42 F44 V114 A128L22-V24 HydrophobicContact CD1-CG2 4.4Å; L22-V24 HydrophobicContact CG-CG2 4.44Å; V24-C42 VanDerWaalsContact CG1-SG 3.55Å; V24-F44 HydrophobicContact CG2-CB 3.99Å; V24-V114 HydrophobicContact CG1-CG2 4.47Å; V24-V114 HydrophobicContact CG2-CB 3.87Å; V24-V114 HydrophobicContact CG2-CG2 3.76Å; V24-A128 HydrophobicContact CB-CB 4.34Å; V24-A128 HydrophobicContact CG2-CB 3.62Å
25T89.1Confident78.7Confident84 Ų8469.2 Ų69.252%0.51541%0.407SS..EExtended strand (participates in β ladder)trans-134.4135-179.554.90000109.1N43T25-N43 PolarHBondContact N-O 2.83Å; T25-N43 PolarHBondContact O-N 3.01Å; T25-N43 PolarHBondContact OG1-O 3.04Å
26I90.4Very high81Confident31 Ų3168.2 Ų68.216%0.15940%0.399CS..EExtended strand (participates in β ladder)trans-112.4136177-60.8-175000108.6K41 C42 W55 C112 G130 V132I26-K41 WeakPolarHBondContact CG2-O 3.26Å; I26-C42 HydrophobicContact CG1-CB 4.24Å; I26-W55 HydrophobicContact CD1-CH2 4.31Å; I26-W55 HydrophobicContact CD1-CZ3 4.21Å; I26-C112 HydrophobicContact CD1-CB 3.64Å; I26-C112 HydrophobicContact CG1-CB 4.26Å; I26-G130 VanDerWaalsContact CD1-O 3.28Å; I26-G130 WeakPolarHBondContact CD1-O 3.49Å; I26-V132 HydrophobicContact CB-CB 4.48Å; I26-V132 HydrophobicContact CD1-CG1 4.45Å; I26-V132 HydrophobicContact CG2-CB 3.61Å; I26-V132 HydrophobicContact CG2-CG1 3.76Å; I26-V132 HydrophobicContact CG2-CG2 4.24Å
27E88.6Confident83.4Confident84 Ų8465.5 Ų65.539%0.39339%0.387SS..  trans-71.4127.2176.5-167.7178.2168.400109.5K41E27-K41 HydrophobicContact CB-CB 4.4Å; E27-K41 PolarHBondContact N-O 2.85Å; E27-K41 WeakPolarHBondContact OE2-CD 3.34Å; E27-K41 IonicContact OE2-NZ 3.63Å; E27-K41 PolarHBondContact OE2-NZ 3.22Å
28P89.3Confident85.6Confident111 Ų11159.7 Ų59.772%0.72136%0.357SS*.  trans-65.7144.5176.728.4-33.9000110.2
29L89.8Confident87.6Confident48 Ų4859.4 Ų59.425%0.25135%0.351SS..  trans-112.7138.8-178.2-69.6167.9000111V38 L40L29-V38 HydrophobicContact CD1-CG2 3.8Å; L29-L40 HydrophobicContact CD1-CD2 3.32Å
30P92.1Very high89.3Confident96 Ų9654.2 Ų54.262%0.62332%0.319SS*.  trans-66.6161.6168.630.8-34.5000110.4V32P30-V32 WeakPolarHBondContact O-CG2 3.42Å; P30-V32 PolarHBondContact O-N 3.36Å
31P93.3Very high90.7Very high69 Ų6957 Ų5745%0.44833%0.327SS..  trans-56.8135.9172.2-23.634.6000111.5T135 M137P31-T135 WeakPolarHBondContact CA-O 3.26Å; P31-T135 HydrophobicContact CB-CG2 4.08Å; P31-T135 HydrophobicContact CG-CG2 4.37Å; P31-M137 HydrophobicContact CB-CE 3.73Å; P31-M137 HydrophobicContact CB-CG 3.86Å; P31-M137 HydrophobicContact CB-SD 3.67Å
32V94.6Very high91.4Very high12 Ų1251.4 Ų51.47%0.07331%0.305CS..EExtended strand (participates in β ladder)trans-110144.8-174.3-1780000109.9P30 E36 V38 L134 T135 V136 M137P30-V32 WeakPolarHBondContact O-CG2 3.42Å; P30-V32 PolarHBondContact O-N 3.36Å; V32-E36 HydrophobicContact CG1-CB 3.81Å; V32-E36 WeakPolarHBondContact CG1-OE2 3.44Å; V32-V38 HydrophobicContact CG1-CB 4.41Å; V32-V38 HydrophobicContact CG2-CB 4.23Å; V32-V38 HydrophobicContact CG2-CG2 3.92Å; V32-L134 HydrophobicContact CG2-CD1 4.08Å; V32-T135 PolarHBondContact N-O 3.49Å; V32-V136 CarbonylContact O-C 3.6Å; V32-V136 WeakPolarHBondContact O-CA 3.45Å; V32-M137 PolarHBondContact O-N 3.47Å
33V94.8Very high91.7Very high30 Ų3052 Ų5218%0.18231%0.308CS..EExtended strand (participates in β ladder)trans-86.3144178.2-173.30000110.7G35 E36 M137 P139 A325V33-G35 PolarHBondContact O-N 3.4Å; V33-E36 HydrophobicContact CB-CG 4.16Å; V33-E36 PolarHBondContact N-OE2 3.04Å; V33-E36 WeakPolarHBondContact O-CB 3.47Å; V33-E36 WeakPolarHBondContact O-CG 3.12Å; V33-E36 PolarHBondContact O-N 3.01Å; V33-E36 VanDerWaalsContact O-N 3.13Å; V33-M137 WeakPolarHBondContact CA-O 3.25Å; V33-M137 HydrophobicContact CG2-CE 4.1Å; V33-P139 HydrophobicContact CG1-CG 4.4Å; V33-A325 HydrophobicContact CG1-CB 4.12Å; V33-A325 HydrophobicContact CG2-CB 3.82Å
34V93.8Very high91.9Very high56 Ų5648.7 Ų48.734%0.33929%0.288SS..THydrogen-bonded Turntrans-51.4135.6174.9172.20000111.1E36 V102 I104 V136 M137V34-E36 VanDerWaalsContact C-N 3.31Å; V34-V102 WeakPolarHBondContact CA-O 3.36Å; V34-I104 HydrophobicContact CG2-CD1 4.49Å; V34-I104 HydrophobicContact CG2-CG1 3.56Å; V34-V136 HydrophobicContact CG2-CG1 3.68Å; V34-M137 WeakPolarHBondContact CG2-O 3.44Å; V34-M137 PolarHBondContact N-O 2.87Å
35G92.8Very high91.7Very high46 Ų4651.2 Ų51.247%0.47430%0.297SS..THydrogen-bonded Turntrans88.8-15-17900000114.4V33 V102V33-G35 PolarHBondContact O-N 3.4Å; G35-V102 PolarHBondContact N-O 3.29Å
36E93.1Very high91.3Very high101 Ų10147.9 Ų47.947%0.47228%0.277SS..PPolyproline II helixtrans-72.7161.9173.5-63.9-175.214900111.7V32 V33 V34 E101 V102V32-E36 HydrophobicContact CG1-CB 3.81Å; V32-E36 WeakPolarHBondContact CG1-OE2 3.44Å; V33-E36 HydrophobicContact CB-CG 4.16Å; V33-E36 PolarHBondContact N-OE2 3.04Å; V33-E36 WeakPolarHBondContact O-CB 3.47Å; V33-E36 WeakPolarHBondContact O-CG 3.12Å; V33-E36 PolarHBondContact O-N 3.01Å; V33-E36 VanDerWaalsContact O-N 3.13Å; V34-E36 VanDerWaalsContact C-N 3.31Å; E36-E101 PolarHBondContact O-N 3.05Å; E36-V102 VanDerWaalsContact O-CG2 3.31Å; E36-V102 WeakPolarHBondContact O-CG2 3.48Å; E36-V102 PolarHBondContact O-N 2.86Å
37T93.9Very high90.6Very high74 Ų7449.5 Ų49.545%0.45429%0.286SS..PPolyproline II helixtrans-99.7118.9173.8-62.40000109.6L99T37-L99 WeakPolarHBondContact CA-O 3.41Å
38V94.4Very high90Very high8 Ų846.6 Ų46.65%0.04828%0.278CS..EExtended strand (participates in β ladder)trans-98.7144.9175.568.70000110.8L29 V32 L40 R98 L99 V102 L134L29-V38 HydrophobicContact CD1-CG2 3.8Å; V32-V38 HydrophobicContact CG1-CB 4.41Å; V32-V38 HydrophobicContact CG2-CB 4.23Å; V32-V38 HydrophobicContact CG2-CG2 3.92Å; V38-L40 HydrophobicContact CG2-CD2 4.47Å; V38-R98 WeakPolarHBondContact O-CA 3.49Å; V38-L99 HydrophobicContact CG1-CB 3.72Å; V38-L99 HydrophobicContact CG1-CD1 3.96Å; V38-L99 HydrophobicContact CG1-CG 4.28Å; V38-L99 PolarHBondContact N-O 2.71Å; V38-L99 PolarHBondContact O-N 3.42Å; V38-V102 HydrophobicContact CB-CG2 4.17Å; V38-V102 HydrophobicContact CG1-CG2 3.55Å; V38-L134 HydrophobicContact CB-CD1 4.45Å; V38-L134 HydrophobicContact CG1-CD1 4.17Å; V38-L134 HydrophobicContact CG1-CD2 4.14Å; V38-L134 HydrophobicContact CG2-CD1 3.98Å
39T93.2Very high89.4Confident39 Ų3950.2 Ų50.224%0.23928%0.277CS..EExtended strand (participates in β ladder)trans-117.7111.4173.7-55.20000109.5K41 V97 R98T39-K41 HydrophobicContact CG2-CG 4.27Å; T39-V97 CarbonylContact C-O 3.55Å; T39-V97 WeakPolarHBondContact CA-O 3.18Å; T39-R98 HydrophobicContact CG2-CG 4.07Å
40L93.2Very high89Confident0 Ų050 Ų500%028%0.276CS..EExtended strand (participates in β ladder)trans-78.3133.1172-52.3-177.7000108.8L29 V38 W55 T96 V97 L99 Y110 V132L29-L40 HydrophobicContact CD1-CD2 3.32Å; V38-L40 HydrophobicContact CG2-CD2 4.47Å; L40-W55 HydrophobicContact CB-CE3 4.42Å; L40-W55 HydrophobicContact CB-CH2 3.55Å; L40-W55 HydrophobicContact CB-CZ2 4.2Å; L40-W55 HydrophobicContact CB-CZ3 3.69Å; L40-W55 HydrophobicContact CD1-CE3 4.02Å; L40-W55 HydrophobicContact CD1-CZ3 3.81Å; L40-W55 HydrophobicContact CG-CZ3 4.38Å; L40-T96 CarbonylContact O-C 3.51Å; L40-T96 WeakPolarHBondContact O-CA 3.34Å; L40-V97 PolarHBondContact N-O 2.81Å; L40-V97 PolarHBondContact O-N 2.96Å; L40-L99 HydrophobicContact CD1-CD1 4.11Å; L40-L99 HydrophobicContact CG-CD1 4.37Å; L40-Y110 HydrophobicContact CD1-CD1 3.71Å; L40-Y110 HydrophobicContact CD1-CE1 4.38Å; L40-Y110 HydrophobicContact CD1-CG 3.8Å; L40-V132 HydrophobicContact CD2-CG1 4.4Å
41K92.4Very high88.6Confident71 Ų7147.2 Ų47.231%0.30925%0.253SS..EExtended strand (participates in β ladder)trans-125.9122.1-178.4-64.3172.7178174.80110.9I26 E27 T39 T96I26-K41 WeakPolarHBondContact CG2-O 3.26Å; E27-K41 HydrophobicContact CB-CB 4.4Å; E27-K41 PolarHBondContact N-O 2.85Å; E27-K41 WeakPolarHBondContact OE2-CD 3.34Å; E27-K41 IonicContact OE2-NZ 3.63Å; E27-K41 PolarHBondContact OE2-NZ 3.22Å; T39-K41 HydrophobicContact CG2-CG 4.27Å; K41-T96 HydrophobicContact CB-CG2 4.48Å; K41-T96 HydrophobicContact CG-CG2 3.88Å
42C91Very high88.3Confident0 Ų046.6 Ų46.60%024%0.244CC..EExtended strand (participates in β ladder)trans-116.2113.4179175.60000108.9V24 I26 W55 Q94 S95 C112V24-C42 VanDerWaalsContact CG1-SG 3.55Å; I26-C42 HydrophobicContact CG1-CB 4.24Å; C42-W55 HydrophobicContact CB-CH2 3.63Å; C42-W55 HydrophobicContact CB-CZ2 3.24Å; C42-Q94 WeakPolarHBondContact O-CA 3.45Å; C42-S95 PolarHBondContact N-O 3.45Å; C42-S95 PolarHBondContact O-N 2.9Å; C42-C112 HydrophobicContact CB-CB 3.59Å; C42-C112 WeakPolarHBondContact CB-SG 3.19Å; C42-C112 WeakPolarHBondContact SG-CB 3.4Å; C42-C112 CovalentContact SG-SG 2.05Å; C42-C112 PolarHBondContact SG-SG 2.83Å
43N90.8Very high88.1Confident35 Ų3546.5 Ų46.519%0.18724%0.243CC..EExtended strand (participates in β ladder)trans-100.1128.4179.1-65.8-28.4000109T25 V92 Y93 Q94T25-N43 PolarHBondContact N-O 2.83Å; T25-N43 PolarHBondContact O-N 3.01Å; T25-N43 PolarHBondContact OG1-O 3.04Å; N43-V92 HydrophobicContact CB-CG1 3.75Å; N43-Y93 CarbonylContact C-O 3.55Å; N43-Y93 VanDerWaalsContact CA-O 3.32Å; N43-Y93 WeakPolarHBondContact CA-O 3.24Å; N43-Q94 VanDerWaalsContact OD1-CG 3.31Å; N43-Q94 WeakPolarHBondContact OD1-CG 2.86Å
44F88.8Confident88Confident5 Ų545.1 Ų45.12%0.02224%0.235CC..EExtended strand (participates in β ladder)trans-136.9145.9179.264.4-85.4000112.3L22 T23 V24 T46 L50 I53 Y93 V114L22-F44 HydrophobicContact CD1-CD2 4.46Å; T23-F44 CarbonylContact O-C 3.55Å; T23-F44 WeakPolarHBondContact O-CA 3.42Å; T23-F44 WeakPolarHBondContact O-CB 3.3Å; V24-F44 HydrophobicContact CG2-CB 3.99Å; F44-T46 HydrophobicContact CD2-CG2 4.29Å; F44-T46 HydrophobicContact CE2-CG2 4.38Å; F44-L50 HydrophobicContact CE2-CD1 3.95Å; F44-L50 HydrophobicContact CZ-CD1 4.03Å; F44-L50 HydrophobicContact CZ-CD2 4.37Å; F44-I53 HydrophobicContact CE1-CD1 3.72Å; F44-I53 HydrophobicContact CZ-CD1 3.75Å; F44-Y93 HydrophobicContact CD2-CD2 4.22Å; F44-Y93 HydrophobicContact CD2-CG 4.45Å; F44-Y93 VanDerWaalsContact CE2-CB 3.45Å; F44-Y93 AromaticContact CE2-CD2 3.88Å; F44-Y93 HydrophobicContact CE2-CD2 3.88Å; F44-Y93 AromaticContact CE2-CG 3.86Å; F44-Y93 HydrophobicContact CE2-CG 3.86Å; F44-Y93 HydrophobicContact CZ-CG 4.04Å; F44-Y93 PolarHBondContact N-O 2.81Å; F44-Y93 PolarHBondContact O-N 2.81Å; F44-V114 HydrophobicContact CB-CG2 4.38Å; F44-V114 HydrophobicContact CD1-CG2 4.03Å; F44-V114 HydrophobicContact CD2-CG1 3.93Å; F44-V114 HydrophobicContact CE1-CG2 4.5Å; F44-V114 HydrophobicContact CE2-CG1 4.07Å; F44-V114 HydrophobicContact CG-CG1 4.2Å; F44-V114 HydrophobicContact CG-CG2 4.11Å; F44-V114 HydrophobicContact CZ-CG1 4.47Å
45K86.3Confident88Confident75 Ų7542.5 Ų42.533%0.32622%0.219SC..EExtended strand (participates in β ladder)trans-117.2135174-63.4-173.8172.2-166.50108.5Y21 T23 D90 V92Y21-K45 HydrophobicContact CE2-CB 4.19Å; T23-K45 PolarHBondContact N-O 3Å; T23-K45 PolarHBondContact O-N 3.2Å; K45-D90 IonicContact NZ-OD1 2.81Å; K45-D90 PolarHBondContact NZ-OD1 2.82Å; K45-V92 HydrophobicContact CD-CG2 4.22Å; K45-V92 HydrophobicContact CG-CG2 3.99Å
46T80.7Confident88Confident15 Ų1542 Ų429%0.09220%0.203CC..EExtended strand (participates in β ladder)trans-156.4148.8177.6-172.80000112.1Y21 L22 F44 G48 Y93 I116Y21-T46 VanDerWaalsContact O-CA 3.29Å; Y21-T46 WeakPolarHBondContact O-CA 3.5Å; Y21-T46 PolarHBondContact O-OG1 2.98Å; L22-T46 HydrophobicContact CD1-CG2 4.45Å; F44-T46 HydrophobicContact CD2-CG2 4.29Å; F44-T46 HydrophobicContact CE2-CG2 4.38Å; T46-G48 PolarHBondContact OG1-N 2.85Å; T46-G48 VanDerWaalsContact OG1-N 3.09Å; T46-Y93 HydrophobicContact CG2-CD2 4.43Å; T46-Y93 HydrophobicContact CG2-CE2 4.34Å; T46-I116 HydrophobicContact CG2-CG2 4.09Å; T46-I116 VanDerWaalsContact OG1-CD1 3.28Å; T46-I116 WeakPolarHBondContact OG1-CD1 3.45Å
47D76.4Confident88Confident65 Ų6539.8 Ų39.835%0.34819%0.19SC..SBendtrans-96.1-7168.363.8-21.5000113.6G20 Y21G20-D47 WeakPolarHBondContact CA-OD1 3.12Å; Y21-D47 HydrophobicContact CD1-CB 3.88Å; Y21-D47 VanDerWaalsContact CD1-CG 3.43Å; Y21-D47 HydrophobicContact CE1-CB 3.46Å; Y21-D47 VanDerWaalsContact CE1-CB 3.46Å; Y21-D47 PolarHBondContact N-OD1 3.22Å
48G75.3Confident87.8Confident22 Ų2236.5 Ų36.523%0.22717%0.17CC..SBendtrans-86.2171177.900000113.9T46T46-G48 PolarHBondContact OG1-N 2.85Å; T46-G48 VanDerWaalsContact OG1-N 3.09Å
49R77.1Confident87.4Confident188 Ų18838 Ų3871%0.70918%0.18SC*.EExtended strand (participates in β ladder)trans-84.3125.8173.5-68.9-176.5179-171.8-2.6109.7R51 I116 Y117R49-R51 PolarHBondContact O-N 2.93Å; R49-I116 CarbonylContact O-C 3.55Å; R49-I116 WeakPolarHBondContact O-CA 3.02Å; R49-Y117 HydrophobicContact CB-CD2 4.25Å; R49-Y117 PolarHBondContact O-N 3.06Å
50L81.2Confident86.5Confident42 Ų4241.5 Ų41.522%0.2220%0.197CC..EExtended strand (participates in β ladder)trans-58.6129177.1-173.267.3000111F44 I53 Y71 A73 V114F44-L50 HydrophobicContact CE2-CD1 3.95Å; F44-L50 HydrophobicContact CZ-CD1 4.03Å; F44-L50 HydrophobicContact CZ-CD2 4.37Å; L50-I53 HydrophobicContact CD1-CD1 4.17Å; L50-I53 HydrophobicContact CD1-CG1 3.85Å; L50-I53 HydrophobicContact CD2-CD1 3.9Å; L50-I53 HydrophobicContact CD2-CG1 4.24Å; L50-I53 HydrophobicContact CG-CG1 4.47Å; L50-Y71 HydrophobicContact CD2-CD1 4.16Å; L50-Y71 HydrophobicContact CD2-CE1 3.66Å; L50-Y71 HydrophobicContact CG-CE1 4.45Å; L50-A73 VanDerWaalsContact O-CB 3.27Å; L50-A73 WeakPolarHBondContact O-CB 3.49Å; L50-V114 HydrophobicContact CD1-CG1 3.81Å
51R83.8Confident85.3Confident39 Ų3946 Ų4615%0.14724%0.242CC..EExtended strand (participates in β ladder)trans-101.6-55.8176.6165.873.7-162.895.43110.5R49 D72 A73 G115 Y117 V125R49-R51 PolarHBondContact O-N 2.93Å; R51-D72 IonicContact CZ-OD1 3.7Å; R51-D72 IonicContact CZ-OD2 3.38Å; R51-D72 IonicContact NH1-OD1 2.66Å; R51-D72 PolarHBondContact NH1-OD1 2.88Å; R51-D72 IonicContact NH1-OD2 3.02Å; R51-D72 PolarHBondContact NH1-OD2 3.48Å; R51-D72 IonicContact NH2-OD1 3.84Å; R51-D72 IonicContact NH2-OD2 2.85Å; R51-D72 PolarHBondContact NH2-OD2 2.9Å; R51-A73 WeakPolarHBondContact O-CB 3.36Å; R51-A73 PolarHBondContact O-N 3.02Å; R51-G115 WeakPolarHBondContact CB-O 3.44Å; R51-G115 PolarHBondContact N-O 3.09Å; R51-Y117 HydrophobicContact CB-CD2 3.98Å; R51-Y117 HydrophobicContact CB-CE2 3.88Å; R51-Y117 HydrophobicContact CB-CG 4.42Å; R51-Y117 WeakPolarHBondContact CD-OH 3.35Å; R51-Y117 HydrophobicContact CG-CE1 4.48Å; R51-Y117 HydrophobicContact CG-CE2 4.33Å; R51-V125 HydrophobicContact CG-CG2 4.44Å
52E87.4Confident84.3Confident56 Ų5644.4 Ų44.426%0.26225%0.247SC..EExtended strand (participates in β ladder)trans-153.6154.8-175.766178-179.100112.2Y71 G115E52-Y71 CarbonylContact C-O 3.3Å; E52-Y71 WeakPolarHBondContact CA-O 3.47Å; E52-Y71 WeakPolarHBondContact CB-O 3.24Å; E52-G115 PolarHBondContact N-O 3.23Å; E52-G115 PolarHBondContact O-N 2.99Å
53I89.9Confident83.5Confident10 Ų1050 Ų505%0.05128%0.281CS..EExtended strand (participates in β ladder)trans-131.2125.7168-53.9172.2000107.6F44 L50 T70 Y71 H113 V114F44-I53 HydrophobicContact CE1-CD1 3.72Å; F44-I53 HydrophobicContact CZ-CD1 3.75Å; L50-I53 HydrophobicContact CD1-CD1 4.17Å; L50-I53 HydrophobicContact CD1-CG1 3.85Å; L50-I53 HydrophobicContact CD2-CD1 3.9Å; L50-I53 HydrophobicContact CD2-CG1 4.24Å; L50-I53 HydrophobicContact CG-CG1 4.47Å; I53-T70 CarbonylContact O-C 3.6Å; I53-T70 WeakPolarHBondContact O-CA 3.43Å; I53-Y71 HydrophobicContact CD1-CD1 4.43Å; I53-Y71 HydrophobicContact CG1-CD1 4.38Å; I53-Y71 PolarHBondContact N-O 2.88Å; I53-Y71 PolarHBondContact O-N 2.87Å; I53-H113 CarbonylContact C-O 3.54Å; I53-H113 WeakPolarHBondContact CA-O 3.31Å; I53-V114 HydrophobicContact CG2-CG2 4.4Å
54V91.7Very high83.1Confident1 Ų152.3 Ų52.31%0.00629%0.293CS..EExtended strand (participates in β ladder)trans-126.9127.6-179.3-167.80000109.5Y56 K67 F69 T70 H113V54-Y56 HydrophobicContact CB-CD2 4.41Å; V54-Y56 HydrophobicContact CB-CE2 3.69Å; V54-Y56 HydrophobicContact CG1-CD1 4.46Å; V54-Y56 HydrophobicContact CG1-CD2 4.08Å; V54-Y56 HydrophobicContact CG1-CE1 3.94Å; V54-Y56 HydrophobicContact CG1-CE2 3.47Å; V54-Y56 VanDerWaalsContact CG1-CE2 3.47Å; V54-K67 HydrophobicContact CG1-CD 4.05Å; V54-K67 HydrophobicContact CG1-CG 3.87Å; V54-F69 WeakPolarHBondContact CA-O 3.46Å; V54-T70 HydrophobicContact CG2-CG2 4.22Å; V54-H113 PolarHBondContact N-O 2.85Å; V54-H113 PolarHBondContact O-N 3.44Å
55W93.9Very high83.1Confident0 Ų056.5 Ų56.50%031%0.311CS..EExtended strand (participates in β ladder)trans-98133.5169.1-75.383.8000109.8I26 L40 C42 I68 F69 S95 V97 E111 C112I26-W55 HydrophobicContact CD1-CH2 4.31Å; I26-W55 HydrophobicContact CD1-CZ3 4.21Å; L40-W55 HydrophobicContact CB-CE3 4.42Å; L40-W55 HydrophobicContact CB-CH2 3.55Å; L40-W55 HydrophobicContact CB-CZ2 4.2Å; L40-W55 HydrophobicContact CB-CZ3 3.69Å; L40-W55 HydrophobicContact CD1-CE3 4.02Å; L40-W55 HydrophobicContact CD1-CZ3 3.81Å; L40-W55 HydrophobicContact CG-CZ3 4.38Å; C42-W55 HydrophobicContact CB-CH2 3.63Å; C42-W55 HydrophobicContact CB-CZ2 3.24Å; W55-I68 HydrophobicContact CB-CD1 3.94Å; W55-I68 HydrophobicContact CB-CG1 3.53Å; W55-I68 WeakPolarHBondContact O-CG1 3.35Å; W55-I68 PolarHBondContact O-N 3.41Å; W55-F69 HydrophobicContact CB-CB 4.13Å; W55-F69 AromaticContact CD1-CD1 3.9Å; W55-F69 PolarHBondContact N-O 3.5Å; W55-S95 PolarHBondContact NE1-OG 2.86Å; W55-S95 VanDerWaalsContact NE1-OG 3.1Å; W55-V97 HydrophobicContact CB-CG2 4.21Å; W55-V97 HydrophobicContact CD2-CB 4.48Å; W55-V97 HydrophobicContact CD2-CG2 3.94Å; W55-V97 HydrophobicContact CG-CB 4.48Å; W55-V97 HydrophobicContact CG-CG2 3.56Å; W55-E111 WeakPolarHBondContact CA-O 3.29Å; W55-C112 HydrophobicContact CD2-CB 4.06Å; W55-C112 HydrophobicContact CE3-CB 3.99Å; W55-C112 HydrophobicContact CH2-CB 3.92Å; W55-C112 HydrophobicContact CZ2-CB 3.99Å; W55-C112 HydrophobicContact CZ3-CB 3.9Å
56Y92.9Very high83.3Confident36 Ų3658.2 Ų58.214%0.14132%0.32CS..EExtended strand (participates in β ladder)trans-117.1136.4176.4-63.4-84.5000110.3V54 K65 Q66 K67 Y110 E111 H113V54-Y56 HydrophobicContact CB-CD2 4.41Å; V54-Y56 HydrophobicContact CB-CE2 3.69Å; V54-Y56 HydrophobicContact CG1-CD1 4.46Å; V54-Y56 HydrophobicContact CG1-CD2 4.08Å; V54-Y56 HydrophobicContact CG1-CE1 3.94Å; V54-Y56 HydrophobicContact CG1-CE2 3.47Å; V54-Y56 VanDerWaalsContact CG1-CE2 3.47Å; Y56-K65 HydrophobicContact CD1-CB 3.65Å; Y56-K65 HydrophobicContact CE1-CB 4.29Å; Y56-K65 HydrophobicContact CG-CB 4.11Å; Y56-Q66 CarbonylContact C-O 3.44Å; Y56-Q66 VanDerWaalsContact CA-O 3.29Å; Y56-Q66 WeakPolarHBondContact CA-O 2.96Å; Y56-K67 HydrophobicContact CD1-CG 3.75Å; Y56-K67 HydrophobicContact CE1-CB 4.44Å; Y56-K67 HydrophobicContact CE1-CD 4.11Å; Y56-K67 HydrophobicContact CE1-CG 3.27Å; Y56-K67 VanDerWaalsContact OH-CE 3.3Å; Y56-K67 WeakPolarHBondContact OH-CE 3.31Å; Y56-Y110 CarbonylContact O-C 3.58Å; Y56-Y110 WeakPolarHBondContact O-CA 3.46Å; Y56-E111 PolarHBondContact N-O 3.12Å; Y56-E111 PolarHBondContact O-N 2.79Å; Y56-H113 HydrophobicContact CD2-CB 4.39Å; Y56-H113 AromaticContact CD2-CD2 3.8Å; Y56-H113 AromaticContact CD2-CG 3.82Å; Y56-H113 AromaticContact CD2-ND1 3.96Å; Y56-H113 AromaticContact CD2-NE2 3.92Å; Y56-H113 HydrophobicContact CE2-CB 3.98Å; Y56-H113 AromaticContact CE2-CE1 3.91Å; Y56-H113 AromaticContact CE2-CG 3.62Å; Y56-H113 AromaticContact CE2-ND1 3.5Å
57R92.9Very high83.9Confident54 Ų5463.4 Ų63.420%0.20434%0.341CS..EExtended strand (participates in β ladder)trans-88.3128156.9174.6-178.6171.5155.42.6107.6T59 Q66 I68 S105 D106 Y110R57-T59 HydrophobicContact CG-CG2 4.3Å; R57-Q66 HydrophobicContact CB-CB 4.47Å; R57-Q66 PolarHBondContact N-O 3.19Å; R57-Q66 PolarHBondContact O-N 3.15Å; R57-I68 HydrophobicContact CB-CG2 3.78Å; R57-S105 PolarHBondContact NH2-O 3.23Å; R57-D106 IonicContact CZ-OD1 3.81Å; R57-D106 IonicContact NH1-OD1 2.75Å; R57-D106 PolarHBondContact NH1-OD1 3.13Å; R57-Y110 HydrophobicContact CB-CD1 4.16Å; R57-Y110 HydrophobicContact CB-CE1 3.84Å; R57-Y110 HydrophobicContact CG-CE1 4.03Å
58V90.8Very high84.6Confident6 Ų663 Ų634%0.03634%0.339CS..EExtended strand (participates in β ladder)trans-103.3123.4-177.5-176.30000109.3G62 I64 K65 P109 E111V58-G62 VanDerWaalsContact CG1-CA 3.49Å; V58-I64 WeakPolarHBondContact CA-O 3.4Å; V58-K65 HydrophobicContact CG2-CG 4.32Å; V58-P109 HydrophobicContact CB-CB 4.27Å; V58-P109 HydrophobicContact CB-CG 3.98Å; V58-P109 WeakPolarHBondContact CB-O 3.42Å; V58-P109 HydrophobicContact CG1-CG 4.28Å; V58-P109 PolarHBondContact N-O 2.86Å; V58-E111 HydrophobicContact CG2-CB 4.31Å; V58-E111 HydrophobicContact CG2-CG 3.71Å
59T85.1Confident85.3Confident40 Ų4066.1 Ų66.125%0.24535%0.346CS..EExtended strand (participates in β ladder)trans-120.4171.9178.856.50000110.8R57 G61 G62 T63 I64R57-T59 HydrophobicContact CG-CG2 4.3Å; T59-G61 PolarHBondContact O-N 3.46Å; T59-G62 PolarHBondContact O-N 3.08Å; T59-T63 PolarHBondContact O-N 2.8Å; T59-I64 PolarHBondContact N-O 3.02Å; T59-I64 PolarHBondContact O-N 3.19Å; T59-I64 WeakPolarHBondContact OG1-CB 3.28Å
60D74.6Confident85.9Confident112 Ų11260.5 Ų60.560%0.59933%0.332SS*.G310 helixtrans5160.7175.1-61-13000114.5G62 T63 I64D60-G62 PolarHBondContact O-N 3.01Å; D60-T63 PolarHBondContact O-N 3.26Å; D60-T63 PolarHBondContact O-OG1 3.02Å; D60-I64 HydrophobicContact CB-CD1 4.23Å; D60-I64 HydrophobicContact CB-CG1 4.18Å; D60-I64 WeakPolarHBondContact OD2-CD1 3.44Å
61G68.1Low86.2Confident93 Ų9361.5 Ų61.596%0.95933%0.334SS*.G310 helixtrans64.315.4172.300000115.1T59T59-G61 PolarHBondContact O-N 3.46Å
62G71Confident86.2Confident39 Ų3961.1 Ų61.140%0.40234%0.335SS..G310 helixtrans109.2-6.5179.700000115.1V58 T59 D60V58-G62 VanDerWaalsContact CG1-CA 3.49Å; T59-G62 PolarHBondContact O-N 3.08Å; D60-G62 PolarHBondContact O-N 3.01Å
63T75.2Confident85.7Confident117 Ų11760 Ų6072%0.71834%0.335SS*.THydrogen-bonded Turntrans-88.7-33.3-168.859.40000113.7T59 D60T59-T63 PolarHBondContact O-N 2.8Å; D60-T63 PolarHBondContact O-N 3.26Å; D60-T63 PolarHBondContact O-OG1 3.02Å
64I82.8Confident84.8Confident84 Ų8464.7 Ų64.743%0.43136%0.358SS..EExtended strand (participates in β ladder)trans-103.8127.1-178.5-57.3-172.3000109.5V58 T59 D60V58-I64 WeakPolarHBondContact CA-O 3.4Å; T59-I64 PolarHBondContact N-O 3.02Å; T59-I64 PolarHBondContact O-N 3.19Å; T59-I64 WeakPolarHBondContact OG1-CB 3.28Å; D60-I64 HydrophobicContact CB-CD1 4.23Å; D60-I64 HydrophobicContact CB-CG1 4.18Å; D60-I64 WeakPolarHBondContact OD2-CD1 3.44Å
65K89.1Confident83.6Confident92 Ų9272.4 Ų72.440%0.439%0.392SS..EExtended strand (participates in β ladder)trans-117.3111.7177.6-58-168.1-178.1-167.80109.9Y56 V58 E111Y56-K65 HydrophobicContact CD1-CB 3.65Å; Y56-K65 HydrophobicContact CE1-CB 4.29Å; Y56-K65 HydrophobicContact CG-CB 4.11Å; V58-K65 HydrophobicContact CG2-CG 4.32Å; K65-E111 WeakPolarHBondContact CE-OE2 3.45Å; K65-E111 IonicContact NZ-OE1 3.51Å; K65-E111 IonicContact NZ-OE2 2.7Å; K65-E111 PolarHBondContact NZ-OE2 2.85Å
66Q90.4Very high82Confident111 Ų11175.6 Ų75.652%0.51941%0.409SS..EExtended strand (participates in β ladder)trans-93.8122175.1-177.9179-8.600109.8Y56 R57 I68Y56-Q66 CarbonylContact C-O 3.44Å; Y56-Q66 VanDerWaalsContact CA-O 3.29Å; Y56-Q66 WeakPolarHBondContact CA-O 2.96Å; R57-Q66 HydrophobicContact CB-CB 4.47Å; R57-Q66 PolarHBondContact N-O 3.19Å; R57-Q66 PolarHBondContact O-N 3.15Å; Q66-I68 PolarHBondContact O-N 3.11Å
67K91.4Very high80.1Confident125 Ų12580.2 Ų80.254%0.54344%0.441SS..EExtended strand (participates in β ladder)trans-67.8122.6174.6-68.8-176.7-178.6-173.10109.9V54 Y56V54-K67 HydrophobicContact CG1-CD 4.05Å; V54-K67 HydrophobicContact CG1-CG 3.87Å; Y56-K67 HydrophobicContact CD1-CG 3.75Å; Y56-K67 HydrophobicContact CE1-CB 4.44Å; Y56-K67 HydrophobicContact CE1-CD 4.11Å; Y56-K67 HydrophobicContact CE1-CG 3.27Å; Y56-K67 VanDerWaalsContact OH-CE 3.3Å; Y56-K67 WeakPolarHBondContact OH-CE 3.31Å
68I91.7Very high78Confident57 Ų5783.2 Ų83.229%0.29246%0.461SS..EExtended strand (participates in β ladder)trans-106.5-25.717761.2172.4000112.6W55 R57 Q66 V97 Y110W55-I68 HydrophobicContact CB-CD1 3.94Å; W55-I68 HydrophobicContact CB-CG1 3.53Å; W55-I68 WeakPolarHBondContact O-CG1 3.35Å; W55-I68 PolarHBondContact O-N 3.41Å; R57-I68 HydrophobicContact CB-CG2 3.78Å; Q66-I68 PolarHBondContact O-N 3.11Å; I68-V97 HydrophobicContact CD1-CG1 4.31Å; I68-Y110 HydrophobicContact CD1-CD1 3.72Å; I68-Y110 HydrophobicContact CD1-CE1 3.87Å
69F91.1Very high76Confident86 Ų8690.2 Ų90.238%0.37749%0.488SS..EExtended strand (participates in β ladder)trans-151.6146.9175.4177.5-93.2000110V54 W55 V97V54-F69 WeakPolarHBondContact CA-O 3.46Å; W55-F69 HydrophobicContact CB-CB 4.13Å; W55-F69 AromaticContact CD1-CD1 3.9Å; W55-F69 PolarHBondContact N-O 3.5Å; F69-V97 HydrophobicContact CB-CG2 3.75Å; F69-V97 HydrophobicContact CD1-CG2 4.16Å; F69-V97 HydrophobicContact CG-CG2 3.92Å
70T89.8Confident74.1Confident70 Ų7092.5 Ų92.543%0.42951%0.506SS..EExtended strand (participates in β ladder)trans-142.9128.2175.4-60.30000109.2I53 V54I53-T70 CarbonylContact O-C 3.6Å; I53-T70 WeakPolarHBondContact O-CA 3.43Å; V54-T70 HydrophobicContact CG2-CG2 4.22Å
71Y86.7Confident72.8Confident63 Ų6396 Ų9625%0.24752%0.518CS..EExtended strand (participates in β ladder)trans-112.9128.3168.9172.7-87.4000108.1L50 E52 I53 A73 N76L50-Y71 HydrophobicContact CD2-CD1 4.16Å; L50-Y71 HydrophobicContact CD2-CE1 3.66Å; L50-Y71 HydrophobicContact CG-CE1 4.45Å; E52-Y71 CarbonylContact C-O 3.3Å; E52-Y71 WeakPolarHBondContact CA-O 3.47Å; E52-Y71 WeakPolarHBondContact CB-O 3.24Å; I53-Y71 HydrophobicContact CD1-CD1 4.43Å; I53-Y71 HydrophobicContact CG1-CD1 4.38Å; I53-Y71 PolarHBondContact N-O 2.88Å; I53-Y71 PolarHBondContact O-N 2.87Å; Y71-A73 HydrophobicContact CE1-CB 4.11Å; Y71-N76 HydrophobicContact CE2-CB 4.08Å; Y71-N76 WeakPolarHBondContact CE2-ND2 3.5Å
72D83.1Confident71.9Confident31 Ų3194.2 Ų94.217%0.16649%0.485CS..EExtended strand (participates in β ladder)trans-122.4121.5175.6-174.1-40.7000109R51 M74 F75 N76R51-D72 IonicContact CZ-OD1 3.7Å; R51-D72 IonicContact CZ-OD2 3.38Å; R51-D72 IonicContact NH1-OD1 2.66Å; R51-D72 PolarHBondContact NH1-OD1 2.88Å; R51-D72 IonicContact NH1-OD2 3.02Å; R51-D72 PolarHBondContact NH1-OD2 3.48Å; R51-D72 IonicContact NH2-OD1 3.84Å; R51-D72 IonicContact NH2-OD2 2.85Å; R51-D72 PolarHBondContact NH2-OD2 2.9Å; D72-M74 VanDerWaalsContact C-N 3.26Å; D72-M74 PolarHBondContact O-N 2.84Å; D72-M74 WeakPolarHBondContact OD1-CB 3.44Å; D72-M74 PolarHBondContact OD1-N 2.95Å; D72-F75 HydrophobicContact CB-CD2 3.98Å; D72-F75 VanDerWaalsContact CG-CD2 3.45Å; D72-F75 PolarHBondContact O-N 2.91Å; D72-N76 WeakPolarHBondContact O-CB 3.4Å; D72-N76 PolarHBondContact O-N 2.93Å
73A77.9Confident70.9Confident33 Ų33101.1 Ų101.127%0.27351%0.507SS..THydrogen-bonded Turntrans-69.9-18-176.900000114.1L50 R51 Y71L50-A73 VanDerWaalsContact O-CB 3.27Å; L50-A73 WeakPolarHBondContact O-CB 3.49Å; R51-A73 WeakPolarHBondContact O-CB 3.36Å; R51-A73 PolarHBondContact O-N 3.02Å; Y71-A73 HydrophobicContact CE1-CB 4.11Å
74M71.3Confident69.5Low109 Ų109101 Ų10154%0.53750%0.502SS..THydrogen-bonded Turntrans-79.6-29.7177.2-67.9-159.9-75.400112.7D72 Y117D72-M74 VanDerWaalsContact C-N 3.26Å; D72-M74 PolarHBondContact O-N 2.84Å; D72-M74 WeakPolarHBondContact OD1-CB 3.44Å; D72-M74 PolarHBondContact OD1-N 2.95Å; M74-Y117 PolarHBondContact SD-OH 2.8Å
75F66.1Low67.9Low163 Ų163102.9 Ų102.972%0.71551%0.505SS*.THydrogen-bonded Turntrans-102-16-175.8-61.3-74.4000113.5D72D72-F75 HydrophobicContact CB-CD2 3.98Å; D72-F75 VanDerWaalsContact CG-CD2 3.45Å; D72-F75 PolarHBondContact O-N 2.91Å
76N60.2Low66.1Low67 Ų67109.6 Ų109.636%0.35853%0.527SS..  trans-95.5102.3178.4-160.7-4.2000111.2Y71 D72 N78Y71-N76 HydrophobicContact CE2-CB 4.08Å; Y71-N76 WeakPolarHBondContact CE2-ND2 3.5Å; D72-N76 WeakPolarHBondContact O-CB 3.4Å; D72-N76 PolarHBondContact O-N 2.93Å; N76-N78 VanDerWaalsContact C-N 3.35Å; N76-N78 PolarHBondContact OD1-N 2.94Å
77T52.5Low64.4Low132 Ų132114.2 Ų114.281%0.8154%0.54SS*.  trans-85.5-3.1-178.853.90000113.7Y79T77-Y79 VanDerWaalsContact C-N 3.3Å; T77-Y79 PolarHBondContact O-N 3.31Å
78N48.8Very low62.7Low118 Ų118117.5 Ų117.563%0.63155%0.549SS*.  trans-8377.4-179.5-157.6-1000110.8N76 S80N76-N78 VanDerWaalsContact C-N 3.35Å; N76-N78 PolarHBondContact OD1-N 2.94Å; N78-S80 PolarHBondContact O-N 2.8Å
79Y49.1Very low60.9Low153 Ų153123.1 Ų123.160%0.657%0.574SS**  trans-77.437.4-177.9-128.9-92.2000112.7T77 M82T77-Y79 VanDerWaalsContact C-N 3.3Å; T77-Y79 PolarHBondContact O-N 3.31Å; Y79-M82 HydrophobicContact CD1-CB 4.31Å; Y79-M82 HydrophobicContact CE1-CB 4.2Å; Y79-M82 HydrophobicContact CE1-SD 4.17Å
80S45.1Very low59.2Low88 Ų88125.1 Ų125.162%0.61559%0.589SS**THydrogen-bonded Turntrans-91.26.8-171.174.30000114.9N78N78-S80 PolarHBondContact O-N 2.8Å
81H47Very low58Low184 Ų184125.5 Ų125.585%0.85259%0.588SS**THydrogen-bonded Turntrans-131.331-177.9-140-74.8000113.3
82M50.1Low57.4Low56 Ų56126 Ų12628%0.27660%0.598SS.*  trans-134.739.1175.9-141.5177.9-172.700111.6Y79 D84 Y85 Y93Y79-M82 HydrophobicContact CD1-CB 4.31Å; Y79-M82 HydrophobicContact CE1-CB 4.2Å; Y79-M82 HydrophobicContact CE1-SD 4.17Å; M82-D84 PolarHBondContact O-N 2.83Å; M82-Y85 HydrophobicContact CB-CE2 4.43Å; M82-Y85 HydrophobicContact CE-CE2 4.4Å; M82-Y85 WeakPolarHBondContact CE-OH 3.23Å; M82-Y85 HydrophobicContact CG-CE2 3.9Å; M82-Y85 HydrophobicContact SD-CE2 3.88Å; M82-Y85 PolarHBondContact SD-OH 3.49Å; M82-Y93 HydrophobicContact CE-CE1 3.76Å; M82-Y93 VanDerWaalsContact CE-OH 3.23Å; M82-Y93 WeakPolarHBondContact CE-OH 3.17Å
83E48.6Very low57.3Low184 Ų184127.8 Ų127.886%0.8660%0.602SS**  trans-83.686162-79.2176.4156.500108.8
84D47.4Very low57.7Low114 Ų114131.7 Ų131.761%0.6162%0.615SS**  trans177.474137.6-103.4-25.3000111.4M82 R86M82-D84 PolarHBondContact O-N 2.83Å; D84-R86 PolarHBondContact O-N 3.15Å
85Y49.4Very low58.5Low124 Ų124127 Ų12749%0.48659%0.593SS.*THydrogen-bonded Turntrans-72.49.2175.5-89.1-86.2000114.4M82M82-Y85 HydrophobicContact CB-CE2 4.43Å; M82-Y85 HydrophobicContact CE-CE2 4.4Å; M82-Y85 WeakPolarHBondContact CE-OH 3.23Å; M82-Y85 HydrophobicContact CG-CE2 3.9Å; M82-Y85 HydrophobicContact SD-CE2 3.88Å; M82-Y85 PolarHBondContact SD-OH 3.49Å
86R51Low59.6Low233 Ų233122.5 Ų122.588%0.87958%0.579SS**THydrogen-bonded Turntrans-113.55.2-169.8-75-154.11751681117.3D84D84-R86 PolarHBondContact O-N 3.15Å
87R53Low61.1Low209 Ų209119.9 Ų119.979%0.78957%0.565SS**  trans-137.388169-71.2-175.9-175.9160.21.7110.5E89 L91R87-E89 VanDerWaalsContact C-N 3.31Å; R87-E89 PolarHBondContact O-N 2.85Å; R87-L91 WeakPolarHBondContact O-CD1 3.5Å
88R57.4Low63Low193 Ų193122.2 Ų122.273%0.72856%0.559SS**THydrogen-bonded Turntrans-80.75.4-168.7-78.9-169.7-166.3-170.44.6116
89E53.9Low65.1Low175 Ų175118.1 Ų118.182%0.81854%0.537SS*.THydrogen-bonded Turntrans-99.2-5.7-169.7-80.1139.4-17200115.8R87R87-E89 VanDerWaalsContact C-N 3.31Å; R87-E89 PolarHBondContact O-N 2.85Å
90D55.3Low67.2Low128 Ų128115.1 Ų115.168%0.68454%0.536SS*.  trans-154.823.2179.8-90.5-42.5000117.1K45 V92K45-D90 IonicContact NZ-OD1 2.81Å; K45-D90 PolarHBondContact NZ-OD1 2.82Å; D90-V92 PolarHBondContact O-N 2.81Å; D90-V92 VanDerWaalsContact O-N 3.1Å
91L64.8Low69.5Low78 Ų78117.4 Ų117.441%0.40854%0.537SS..  trans-74.1105.3177.6-75.7155.2000111.1R87R87-L91 WeakPolarHBondContact O-CD1 3.5Å
92V73.3Confident71.7Confident75 Ų75108.7 Ų108.746%0.45550%0.497SS..  trans-87.2114.7167.1179.20000108.3N43 K45 D90N43-V92 HydrophobicContact CB-CG1 3.75Å; K45-V92 HydrophobicContact CD-CG2 4.22Å; K45-V92 HydrophobicContact CG-CG2 3.99Å; D90-V92 PolarHBondContact O-N 2.81Å; D90-V92 VanDerWaalsContact O-N 3.1Å
93Y81.6Confident73.8Confident68 Ų68113.9 Ų113.927%0.26751%0.514SS..EExtended strand (participates in β ladder)trans-81.2145.4171.6-61.5-79.4000110N43 F44 T46 M82N43-Y93 CarbonylContact C-O 3.55Å; N43-Y93 VanDerWaalsContact CA-O 3.32Å; N43-Y93 WeakPolarHBondContact CA-O 3.24Å; F44-Y93 HydrophobicContact CD2-CD2 4.22Å; F44-Y93 HydrophobicContact CD2-CG 4.45Å; F44-Y93 VanDerWaalsContact CE2-CB 3.45Å; F44-Y93 AromaticContact CE2-CD2 3.88Å; F44-Y93 HydrophobicContact CE2-CD2 3.88Å; F44-Y93 AromaticContact CE2-CG 3.86Å; F44-Y93 HydrophobicContact CE2-CG 3.86Å; F44-Y93 HydrophobicContact CZ-CG 4.04Å; F44-Y93 PolarHBondContact N-O 2.81Å; F44-Y93 PolarHBondContact O-N 2.81Å; T46-Y93 HydrophobicContact CG2-CD2 4.43Å; T46-Y93 HydrophobicContact CG2-CE2 4.34Å; M82-Y93 HydrophobicContact CE-CE1 3.76Å; M82-Y93 VanDerWaalsContact CE-OH 3.23Å; M82-Y93 WeakPolarHBondContact CE-OH 3.17Å
94Q86.3Confident75.8Confident114 Ų114106.7 Ų106.753%0.53348%0.481SS..EExtended strand (participates in β ladder)trans-127.8125.9-177.4-176.2175.2-19.100110.9C42 N43 T96C42-Q94 WeakPolarHBondContact O-CA 3.45Å; N43-Q94 VanDerWaalsContact OD1-CG 3.31Å; N43-Q94 WeakPolarHBondContact OD1-CG 2.86Å; Q94-T96 HydrophobicContact CG-CG2 3.86Å; Q94-T96 VanDerWaalsContact NE2-CG2 3.29Å
95S87.8Confident77.8Confident11 Ų11104.7 Ų104.78%0.07748%0.475CS..EExtended strand (participates in β ladder)trans-106.6131.7167.7-179.20000109.4C42 W55C42-S95 PolarHBondContact N-O 3.45Å; C42-S95 PolarHBondContact O-N 2.9Å; W55-S95 PolarHBondContact NE1-OG 2.86Å; W55-S95 VanDerWaalsContact NE1-OG 3.1Å
96T89.9Confident79.8Confident68 Ų68100.2 Ų100.242%0.41746%0.46SS..EExtended strand (participates in β ladder)trans-127.3133.4179.363.50000111.9L40 K41 Q94L40-T96 CarbonylContact O-C 3.51Å; L40-T96 WeakPolarHBondContact O-CA 3.34Å; K41-T96 HydrophobicContact CB-CG2 4.48Å; K41-T96 HydrophobicContact CG-CG2 3.88Å; Q94-T96 HydrophobicContact CG-CG2 3.86Å; Q94-T96 VanDerWaalsContact NE2-CG2 3.29Å
97V91.5Very high81.8Confident12 Ų1291.3 Ų91.37%0.07343%0.43CS..EExtended strand (participates in β ladder)trans-118.3127.9172.51720000109.1T39 L40 W55 I68 F69 L99T39-V97 CarbonylContact C-O 3.55Å; T39-V97 WeakPolarHBondContact CA-O 3.18Å; L40-V97 PolarHBondContact N-O 2.81Å; L40-V97 PolarHBondContact O-N 2.96Å; W55-V97 HydrophobicContact CB-CG2 4.21Å; W55-V97 HydrophobicContact CD2-CB 4.48Å; W55-V97 HydrophobicContact CD2-CG2 3.94Å; W55-V97 HydrophobicContact CG-CB 4.48Å; W55-V97 HydrophobicContact CG-CG2 3.56Å; I68-V97 HydrophobicContact CD1-CG1 4.31Å; F69-V97 HydrophobicContact CB-CG2 3.75Å; F69-V97 HydrophobicContact CD1-CG2 4.16Å; F69-V97 HydrophobicContact CG-CG2 3.92Å; V97-L99 HydrophobicContact CG1-CD2 4.24Å; V97-L99 HydrophobicContact CG1-CG 4.48Å
98R92.1Very high83.6Confident182 Ų18281.8 Ų81.869%0.68740%0.397SS*.EExtended strand (participates in β ladder)trans-99.8124.2177.2-58.6-179.978.61360.8108.8V38 T39 P100V38-R98 WeakPolarHBondContact O-CA 3.49Å; T39-R98 HydrophobicContact CG2-CG 4.07Å; R98-P100 WeakPolarHBondContact O-CD 3.31Å
99L92.6Very high85.3Confident32 Ų3275 Ų7517%0.16838%0.377CS..EExtended strand (participates in β ladder)trans-107.499.9173.9-60.6172.1000107.5T37 V38 L40 V97 V102 Y110 L134T37-L99 WeakPolarHBondContact CA-O 3.41Å; V38-L99 HydrophobicContact CG1-CB 3.72Å; V38-L99 HydrophobicContact CG1-CD1 3.96Å; V38-L99 HydrophobicContact CG1-CG 4.28Å; V38-L99 PolarHBondContact N-O 2.71Å; V38-L99 PolarHBondContact O-N 3.42Å; L40-L99 HydrophobicContact CD1-CD1 4.11Å; L40-L99 HydrophobicContact CG-CD1 4.37Å; V97-L99 HydrophobicContact CG1-CD2 4.24Å; V97-L99 HydrophobicContact CG1-CG 4.48Å; L99-V102 HydrophobicContact CB-CG2 4.33Å; L99-Y110 HydrophobicContact CD1-CE1 3.94Å; L99-L134 HydrophobicContact CD1-CD2 4.32Å
100P93.2Very high87.2Confident90 Ų9066.8 Ų66.858%0.58434%0.339SS*.  trans-74.4151.7176.631.7-33.9000111R98 V102R98-P100 WeakPolarHBondContact O-CD 3.31Å; P100-V102 PolarHBondContact O-N 3.07Å
101E92.8Very high89Confident136 Ų13662.2 Ų62.264%0.63631%0.314SS*.SBendtrans49.956.1172.8-62.2179.3-164.300113.8E36 R103E36-E101 PolarHBondContact O-N 3.05Å; E101-R103 PolarHBondContact O-N 3.46Å
102V94.3Very high90.4Very high1 Ų158.5 Ų58.51%0.00629%0.294CS..  trans-57.7132.5-175.2177.80000111.2V34 G35 E36 V38 L99 P100 D106 L134 V136V34-V102 WeakPolarHBondContact CA-O 3.36Å; G35-V102 PolarHBondContact N-O 3.29Å; E36-V102 VanDerWaalsContact O-CG2 3.31Å; E36-V102 WeakPolarHBondContact O-CG2 3.48Å; E36-V102 PolarHBondContact O-N 2.86Å; V38-V102 HydrophobicContact CB-CG2 4.17Å; V38-V102 HydrophobicContact CG1-CG2 3.55Å; L99-V102 HydrophobicContact CB-CG2 4.33Å; P100-V102 PolarHBondContact O-N 3.07Å; V102-D106 HydrophobicContact CG1-CB 4.08Å; V102-L134 HydrophobicContact CG1-CD2 4.31Å; V102-V136 HydrophobicContact CG1-CB 4.32Å; V102-V136 HydrophobicContact CG1-CG1 3.87Å; V102-V136 HydrophobicContact CG1-CG2 3.44Å; V102-V136 VanDerWaalsContact CG1-CG2 3.44Å
103R93.1Very high91.3Very high165 Ų16556.8 Ų56.862%0.62328%0.281SS*.  trans-103.2162.1178.4-61.7-177179.1-175.5-0.8111.6E101 S105 D106E101-R103 PolarHBondContact O-N 3.46Å; R103-S105 WeakPolarHBondContact CB-OG 3.39Å; R103-S105 PolarHBondContact O-N 2.87Å; R103-S105 VanDerWaalsContact O-N 3.14Å; R103-D106 PolarHBondContact N-OD2 3.05Å; R103-D106 WeakPolarHBondContact O-CB 3.47Å; R103-D106 PolarHBondContact O-N 2.58Å
104I91.3Very high91.7Very high32 Ų3253.5 Ų53.516%0.16427%0.268CS..G310 helixtrans-55.6-33.9174.5-56.8175.9000111.3V34 D106 N107 K172 D294V34-I104 HydrophobicContact CG2-CD1 4.49Å; V34-I104 HydrophobicContact CG2-CG1 3.56Å; I104-D106 VanDerWaalsContact C-N 3.25Å; I104-D106 PolarHBondContact O-N 3.46Å; I104-N107 VanDerWaalsContact O-CB 3.28Å; I104-N107 WeakPolarHBondContact O-CB 3.37Å; I104-N107 PolarHBondContact O-N 3.39Å; I104-K172 HydrophobicContact CG2-CD 3.68Å; I104-D294 VanDerWaalsContact CG2-O 3.24Å; I104-D294 WeakPolarHBondContact CG2-O 3.46Å
105S90.4Very high91.9Very high72 Ų7248.1 Ų48.150%0.50324%0.243SC..G310 helixtrans-64.3-25.6176.654.40000113.4R57 R103 N107R57-S105 PolarHBondContact NH2-O 3.23Å; R103-S105 WeakPolarHBondContact CB-OG 3.39Å; R103-S105 PolarHBondContact O-N 2.87Å; R103-S105 VanDerWaalsContact O-N 3.14Å; S105-N107 PolarHBondContact O-N 2.76Å
106D91.3Very high91.7Very high30 Ų3047.7 Ų47.716%0.1624%0.24CC..G310 helixtrans-79.7-4.9-175.5-59.3-30.9000113R57 V102 R103 I104 G108 Y110R57-D106 IonicContact CZ-OD1 3.81Å; R57-D106 IonicContact NH1-OD1 2.75Å; R57-D106 PolarHBondContact NH1-OD1 3.13Å; V102-D106 HydrophobicContact CG1-CB 4.08Å; R103-D106 PolarHBondContact N-OD2 3.05Å; R103-D106 WeakPolarHBondContact O-CB 3.47Å; R103-D106 PolarHBondContact O-N 2.58Å; I104-D106 VanDerWaalsContact C-N 3.25Å; I104-D106 PolarHBondContact O-N 3.46Å; D106-G108 PolarHBondContact O-N 2.87Å; D106-Y110 WeakPolarHBondContact O-CE2 3.33Å; D106-Y110 PolarHBondContact O-OH 3.22Å
107N91.3Very high91.3Very high47 Ų4747.4 Ų47.425%0.25123%0.232SC..  trans-60.9119.8173.4-177.9108.1000111I104 S105 L134 V136I104-N107 VanDerWaalsContact O-CB 3.28Å; I104-N107 WeakPolarHBondContact O-CB 3.37Å; I104-N107 PolarHBondContact O-N 3.39Å; S105-N107 PolarHBondContact O-N 2.76Å; N107-L134 WeakPolarHBondContact CA-O 3.32Å; N107-L134 PolarHBondContact OD1-O 3.4Å; N107-V136 HydrophobicContact CB-CB 4.16Å; N107-V136 HydrophobicContact CB-CG2 4.05Å; N107-V136 PolarHBondContact OD1-N 2.77Å; N107-V136 VanDerWaalsContact OD1-N 3.09Å
108G91.1Very high90.4Very high9 Ų947.9 Ų47.99%0.09323%0.234CC..EExtended strand (participates in β ladder)trans159.7-174.6177.300000114.1D106 Y110 L134D106-G108 PolarHBondContact O-N 2.87Å; G108-Y110 WeakPolarHBondContact O-CD2 3.39Å; G108-L134 PolarHBondContact N-O 2.91Å; G108-L134 PolarHBondContact O-N 3.34Å
109P93.6Very high89.2Confident49 Ų4947.4 Ų47.432%0.31823%0.232SC..EExtended strand (participates in β ladder)trans-77137.2178.422.9-20.6000112.6V58 V132 F133V58-P109 HydrophobicContact CB-CB 4.27Å; V58-P109 HydrophobicContact CB-CG 3.98Å; V58-P109 WeakPolarHBondContact CB-O 3.42Å; V58-P109 HydrophobicContact CG1-CG 4.28Å; V58-P109 PolarHBondContact N-O 2.86Å; P109-V132 CarbonylContact C-O 3.53Å; P109-V132 WeakPolarHBondContact CA-O 3.33Å; P109-F133 HydrophobicContact CB-CD2 4.3Å
110Y93.8Very high88Confident4 Ų449.5 Ų49.52%0.01625%0.254CS..EExtended strand (participates in β ladder)trans-120.8142.8172.3-69.7-98.8000109.4L40 Y56 R57 I68 L99 D106 G108 N131 V132 L134L40-Y110 HydrophobicContact CD1-CD1 3.71Å; L40-Y110 HydrophobicContact CD1-CE1 4.38Å; L40-Y110 HydrophobicContact CD1-CG 3.8Å; Y56-Y110 CarbonylContact O-C 3.58Å; Y56-Y110 WeakPolarHBondContact O-CA 3.46Å; R57-Y110 HydrophobicContact CB-CD1 4.16Å; R57-Y110 HydrophobicContact CB-CE1 3.84Å; R57-Y110 HydrophobicContact CG-CE1 4.03Å; I68-Y110 HydrophobicContact CD1-CD1 3.72Å; I68-Y110 HydrophobicContact CD1-CE1 3.87Å; L99-Y110 HydrophobicContact CD1-CE1 3.94Å; D106-Y110 WeakPolarHBondContact O-CE2 3.33Å; D106-Y110 PolarHBondContact O-OH 3.22Å; G108-Y110 WeakPolarHBondContact O-CD2 3.39Å; Y110-N131 CarbonylContact O-C 3.59Å; Y110-N131 VanDerWaalsContact O-CA 3.27Å; Y110-N131 WeakPolarHBondContact O-CA 3.27Å; Y110-V132 PolarHBondContact N-O 2.95Å; Y110-V132 PolarHBondContact O-N 2.8Å; Y110-L134 HydrophobicContact CD2-CB 3.86Å; Y110-L134 HydrophobicContact CE2-CB 3.63Å; Y110-L134 HydrophobicContact CE2-CD2 3.8Å; Y110-L134 HydrophobicContact CE2-CG 4.37Å
111E93.6Very high86.5Confident32 Ų3248.5 Ų48.515%0.1525%0.246CC..EExtended strand (participates in β ladder)trans-124.7135.5179.4-67.7179.8-170.600111.1W55 Y56 V58 K65 H113 G130 N131W55-E111 WeakPolarHBondContact CA-O 3.29Å; Y56-E111 PolarHBondContact N-O 3.12Å; Y56-E111 PolarHBondContact O-N 2.79Å; V58-E111 HydrophobicContact CG2-CB 4.31Å; V58-E111 HydrophobicContact CG2-CG 3.71Å; K65-E111 WeakPolarHBondContact CE-OE2 3.45Å; K65-E111 IonicContact NZ-OE1 3.51Å; K65-E111 IonicContact NZ-OE2 2.7Å; K65-E111 PolarHBondContact NZ-OE2 2.85Å; E111-H113 IonicContact OE2-CD2 3.7Å; E111-H113 IonicContact OE2-CE1 3.59Å; E111-H113 IonicContact OE2-NE2 3.47Å; E111-H113 PolarHBondContact OE2-NE2 2.93Å; E111-G130 CarbonylContact C-O 3.45Å; E111-G130 VanDerWaalsContact CA-O 3.24Å; E111-G130 WeakPolarHBondContact CA-O 3.31Å; E111-N131 HydrophobicContact CG-CB 4.06Å
112C93.8Very high85.1Confident0 Ų052 Ų520%025%0.254CS..EExtended strand (participates in β ladder)trans-103.7120.1169.9174.50000108I26 C42 W55 S129 G130I26-C112 HydrophobicContact CD1-CB 3.64Å; I26-C112 HydrophobicContact CG1-CB 4.26Å; C42-C112 HydrophobicContact CB-CB 3.59Å; C42-C112 WeakPolarHBondContact CB-SG 3.19Å; C42-C112 WeakPolarHBondContact SG-CB 3.4Å; C42-C112 CovalentContact SG-SG 2.05Å; C42-C112 PolarHBondContact SG-SG 2.83Å; W55-C112 HydrophobicContact CD2-CB 4.06Å; W55-C112 HydrophobicContact CE3-CB 3.99Å; W55-C112 HydrophobicContact CH2-CB 3.92Å; W55-C112 HydrophobicContact CZ2-CB 3.99Å; W55-C112 HydrophobicContact CZ3-CB 3.9Å; C112-S129 CarbonylContact O-C 3.53Å; C112-S129 WeakPolarHBondContact O-CA 3.25Å; C112-S129 WeakPolarHBondContact O-CB 3.25Å; C112-G130 PolarHBondContact N-O 3.24Å; C112-G130 PolarHBondContact O-N 2.84Å
113H91.9Very high83.6Confident38 Ų3860.8 Ų60.818%0.17630%0.295CS..EExtended strand (participates in β ladder)trans-110127.5176.8-71-154.1000108.6I53 V54 Y56 E111 S129I53-H113 CarbonylContact C-O 3.54Å; I53-H113 WeakPolarHBondContact CA-O 3.31Å; V54-H113 PolarHBondContact N-O 2.85Å; V54-H113 PolarHBondContact O-N 3.44Å; Y56-H113 HydrophobicContact CD2-CB 4.39Å; Y56-H113 AromaticContact CD2-CD2 3.8Å; Y56-H113 AromaticContact CD2-CG 3.82Å; Y56-H113 AromaticContact CD2-ND1 3.96Å; Y56-H113 AromaticContact CD2-NE2 3.92Å; Y56-H113 HydrophobicContact CE2-CB 3.98Å; Y56-H113 AromaticContact CE2-CE1 3.91Å; Y56-H113 AromaticContact CE2-CG 3.62Å; Y56-H113 AromaticContact CE2-ND1 3.5Å; E111-H113 IonicContact OE2-CD2 3.7Å; E111-H113 IonicContact OE2-CE1 3.59Å; E111-H113 IonicContact OE2-NE2 3.47Å; E111-H113 PolarHBondContact OE2-NE2 2.93Å; H113-S129 WeakPolarHBondContact CD2-CB 3.46Å
114V90.6Very high82.2Confident0 Ų059.2 Ų59.20%029%0.292CS..EExtended strand (participates in β ladder)trans-117.4126.7178.5-177.40000108.3L22 V24 F44 L50 I53 L127 A128L22-V114 HydrophobicContact CD1-CB 4.49Å; L22-V114 HydrophobicContact CD1-CG1 4.02Å; L22-V114 HydrophobicContact CD2-CB 4.48Å; L22-V114 HydrophobicContact CD2-CG1 4.45Å; L22-V114 WeakPolarHBondContact CD2-O 3.46Å; V24-V114 HydrophobicContact CG1-CG2 4.47Å; V24-V114 HydrophobicContact CG2-CB 3.87Å; V24-V114 HydrophobicContact CG2-CG2 3.76Å; F44-V114 HydrophobicContact CB-CG2 4.38Å; F44-V114 HydrophobicContact CD1-CG2 4.03Å; F44-V114 HydrophobicContact CD2-CG1 3.93Å; F44-V114 HydrophobicContact CE1-CG2 4.5Å; F44-V114 HydrophobicContact CE2-CG1 4.07Å; F44-V114 HydrophobicContact CG-CG1 4.2Å; F44-V114 HydrophobicContact CG-CG2 4.11Å; F44-V114 HydrophobicContact CZ-CG1 4.47Å; L50-V114 HydrophobicContact CD1-CG1 3.81Å; I53-V114 HydrophobicContact CG2-CG2 4.4Å; V114-L127 WeakPolarHBondContact O-CA 3.42Å; V114-A128 PolarHBondContact N-O 3.02Å; V114-A128 PolarHBondContact O-N 2.78Å
115G89.1Confident81.3Confident1 Ų160.5 Ų60.51%0.0130%0.301CS..EExtended strand (participates in β ladder)trans-111.1133.2174.700000111.3R51 E52 V126R51-G115 WeakPolarHBondContact CB-O 3.44Å; R51-G115 PolarHBondContact N-O 3.09Å; E52-G115 PolarHBondContact N-O 3.23Å; E52-G115 PolarHBondContact O-N 2.99Å; G115-V126 WeakPolarHBondContact CA-O 3.3Å
116I85.4Confident80.7Confident1 Ų159.3 Ų59.31%0.00529%0.291CS..EExtended strand (participates in β ladder)trans-121.5151172.665172.9000110.6L22 T46 R49 V125 V126L22-I116 HydrophobicContact CB-CD1 3.94Å; L22-I116 HydrophobicContact CD1-CG2 4.1Å; L22-I116 HydrophobicContact CD2-CD1 4.42Å; L22-I116 HydrophobicContact CD2-CG1 4.24Å; L22-I116 HydrophobicContact CD2-CG2 4.29Å; T46-I116 HydrophobicContact CG2-CG2 4.09Å; T46-I116 VanDerWaalsContact OG1-CD1 3.28Å; T46-I116 WeakPolarHBondContact OG1-CD1 3.45Å; R49-I116 CarbonylContact O-C 3.55Å; R49-I116 WeakPolarHBondContact O-CA 3.02Å; I116-V125 VanDerWaalsContact O-CA 3.31Å; I116-V125 WeakPolarHBondContact O-CA 3.42Å; I116-V126 HydrophobicContact CD1-CB 4.18Å; I116-V126 HydrophobicContact CG1-CB 3.76Å; I116-V126 PolarHBondContact N-O 2.86Å; I116-V126 PolarHBondContact O-N 2.84Å
117Y81.5Confident80.3Confident63 Ų6363.3 Ų63.325%0.24731%0.312CS..EExtended strand (participates in β ladder)trans-71.1131.5167.6-69.3-74.4000110.2R49 R51 M74 R122R49-Y117 HydrophobicContact CB-CD2 4.25Å; R49-Y117 PolarHBondContact O-N 3.06Å; R51-Y117 HydrophobicContact CB-CD2 3.98Å; R51-Y117 HydrophobicContact CB-CE2 3.88Å; R51-Y117 HydrophobicContact CB-CG 4.42Å; R51-Y117 WeakPolarHBondContact CD-OH 3.35Å; R51-Y117 HydrophobicContact CG-CE1 4.48Å; R51-Y117 HydrophobicContact CG-CE2 4.33Å; M74-Y117 PolarHBondContact SD-OH 2.8Å; Y117-R122 WeakPolarHBondContact CD1-O 3.47Å
118D72.5Confident80.1Confident22 Ų2262.2 Ų62.212%0.11831%0.31CS..  trans-62.4138.8172.2176.319.6000110.5A120 T121 K124D118-A120 VanDerWaalsContact C-N 3.34Å; D118-A120 PolarHBondContact OD1-N 3.31Å; D118-A120 VanDerWaalsContact OD1-N 3.1Å; D118-T121 WeakPolarHBondContact CB-O 3.45Å; D118-T121 CarbonylContact O-C 3.54Å; D118-T121 PolarHBondContact OD2-N 2.9Å; D118-T121 PolarHBondContact OD2-OG1 2.61Å; D118-K124 HydrophobicContact CB-CB 3.9Å; D118-K124 HydrophobicContact CB-CG 4.46Å; D118-K124 VanDerWaalsContact CB-O 3.23Å; D118-K124 WeakPolarHBondContact CB-O 3.24Å; D118-K124 PolarHBondContact N-O 3.31Å
119R66.3Low80.1Confident172 Ų17265.2 Ų65.265%0.64933%0.329SS*.SBendtrans-71.8-32.6-179-172176.5179.4-178.2-3.5111.3
120A66.9Low79.9Confident75 Ų7563.4 Ų63.462%0.6232%0.32SS*.SBendtrans-81-41.7-178.600000112D118D118-A120 VanDerWaalsContact C-N 3.34Å; D118-A120 PolarHBondContact OD1-N 3.31Å; D118-A120 VanDerWaalsContact OD1-N 3.1Å
121T62.7Low79.8Confident70 Ų7069 Ų6943%0.42935%0.35SS..  trans-128.3113.2179.157.60000110D118 E123 K124D118-T121 WeakPolarHBondContact CB-O 3.45Å; D118-T121 CarbonylContact O-C 3.54Å; D118-T121 PolarHBondContact OD2-N 2.9Å; D118-T121 PolarHBondContact OD2-OG1 2.61Å; T121-E123 PolarHBondContact O-N 2.87Å; T121-K124 PolarHBondContact O-N 2.85Å; T121-K124 VanDerWaalsContact O-N 3.15Å; T121-K124 WeakPolarHBondContact OG1-CB 3.41Å
122R63.6Low79.8Confident209 Ų20968.3 Ų68.379%0.78935%0.347SS*.THydrogen-bonded Turntrans-62.5-1.7-179.4-76.5173.3171.3130.3-3.4114.5Y117Y117-R122 WeakPolarHBondContact CD1-O 3.47Å
123E61.4Low79.7Confident186 Ų18673.7 Ų73.787%0.86937%0.371SS*.THydrogen-bonded Turntrans-103.9-22.2-178.4-63.3-178.6169.900113.1T121T121-E123 PolarHBondContact O-N 2.87Å
124K64.6Low79.8Confident131 Ų13171.9 Ų71.957%0.5736%0.363SS*.  trans-88.9136.7-178.7-171.5179.5178-173.80110.4D118 T121D118-K124 HydrophobicContact CB-CB 3.9Å; D118-K124 HydrophobicContact CB-CG 4.46Å; D118-K124 VanDerWaalsContact CB-O 3.23Å; D118-K124 WeakPolarHBondContact CB-O 3.24Å; D118-K124 PolarHBondContact N-O 3.31Å; T121-K124 PolarHBondContact O-N 2.85Å; T121-K124 VanDerWaalsContact O-N 3.15Å; T121-K124 WeakPolarHBondContact OG1-CB 3.41Å
125V72.9Confident79.9Confident59 Ų5974.7 Ų74.736%0.35838%0.38SS..EExtended strand (participates in β ladder)trans-107.3126.5178.1-178.40000109.4R51 I116 L127R51-V125 HydrophobicContact CG-CG2 4.44Å; I116-V125 VanDerWaalsContact O-CA 3.31Å; I116-V125 WeakPolarHBondContact O-CA 3.42Å; V125-L127 HydrophobicContact CG1-CD2 3.86Å; V125-L127 HydrophobicContact CG1-CG 4.24Å
126V76.5Confident80.2Confident48 Ų4874.7 Ų74.729%0.29138%0.38SS..EExtended strand (participates in β ladder)trans-91125.5169.4-179.50000107.8G115 I116G115-V126 WeakPolarHBondContact CA-O 3.3Å; I116-V126 HydrophobicContact CD1-CB 4.18Å; I116-V126 HydrophobicContact CG1-CB 3.76Å; I116-V126 PolarHBondContact N-O 2.86Å; I116-V126 PolarHBondContact O-N 2.84Å
127L83.6Confident80.6Confident114 Ų11475.8 Ų75.860%0.59739%0.385SS*.EExtended strand (participates in β ladder)trans-110.6130-178.6-64.2171.1000109.7V114 V125V114-L127 WeakPolarHBondContact O-CA 3.42Å; V125-L127 HydrophobicContact CG1-CD2 3.86Å; V125-L127 HydrophobicContact CG1-CG 4.24Å
128A86.9Confident81.3Confident24 Ų2473.5 Ų73.520%0.19838%0.379CS..EExtended strand (participates in β ladder)trans-128.4149.7165.800000109.3L22 V24 V114L22-A128 HydrophobicContact CB-CB 4.38Å; L22-A128 HydrophobicContact CD2-CB 3.45Å; L22-A128 VanDerWaalsContact CD2-CB 3.45Å; L22-A128 HydrophobicContact CG-CB 3.57Å; V24-A128 HydrophobicContact CB-CB 4.34Å; V24-A128 HydrophobicContact CG2-CB 3.62Å; V114-A128 PolarHBondContact N-O 3.02Å; V114-A128 PolarHBondContact O-N 2.78Å
129S90.8Very high82.4Confident71 Ų7174.3 Ų74.350%0.49739%0.385SS..EExtended strand (participates in β ladder)trans-133.6151.2178.760.50000112.2C112 H113C112-S129 CarbonylContact O-C 3.53Å; C112-S129 WeakPolarHBondContact O-CA 3.25Å; C112-S129 WeakPolarHBondContact O-CB 3.25Å; H113-S129 WeakPolarHBondContact CD2-CB 3.46Å
130G90.4Very high83.7Confident12 Ų1266.5 Ų66.512%0.12436%0.356CS..EExtended strand (participates in β ladder)trans-120.1159.1164.600000109.9I26 E111 C112I26-G130 VanDerWaalsContact CD1-O 3.28Å; I26-G130 WeakPolarHBondContact CD1-O 3.49Å; E111-G130 CarbonylContact C-O 3.45Å; E111-G130 VanDerWaalsContact CA-O 3.24Å; E111-G130 WeakPolarHBondContact CA-O 3.31Å; C112-G130 PolarHBondContact N-O 3.24Å; C112-G130 PolarHBondContact O-N 2.84Å
131N91.1Very high85Confident122 Ų12268.6 Ų68.665%0.65236%0.357SS*.EExtended strand (participates in β ladder)trans-126.8154.317565.3-1.5000112Y110 E111Y110-N131 CarbonylContact O-C 3.59Å; Y110-N131 VanDerWaalsContact O-CA 3.27Å; Y110-N131 WeakPolarHBondContact O-CA 3.27Å; E111-N131 HydrophobicContact CG-CB 4.06Å
132V93Very high86.5Confident16 Ų1669.2 Ų69.210%0.09736%0.358CS..EExtended strand (participates in β ladder)trans-147.6143.8173.461.60000109.6I26 L40 P109 Y110I26-V132 HydrophobicContact CB-CB 4.48Å; I26-V132 HydrophobicContact CD1-CG1 4.45Å; I26-V132 HydrophobicContact CG2-CB 3.61Å; I26-V132 HydrophobicContact CG2-CG1 3.76Å; I26-V132 HydrophobicContact CG2-CG2 4.24Å; L40-V132 HydrophobicContact CD2-CG1 4.4Å; P109-V132 CarbonylContact C-O 3.53Å; P109-V132 WeakPolarHBondContact CA-O 3.33Å; Y110-V132 PolarHBondContact N-O 2.95Å; Y110-V132 PolarHBondContact O-N 2.8Å
133F92.7Very high88Confident113 Ų11360.4 Ų60.450%0.49633%0.326SS..EExtended strand (participates in β ladder)trans-101.1118.2175.9-164.6-87000109.9P109 T135P109-F133 HydrophobicContact CB-CD2 4.3Å; F133-T135 PolarHBondContact O-N 2.89Å
134L92.9Very high89.7Confident1 Ų153.3 Ų53.31%0.00530%0.297CS..EExtended strand (participates in β ladder)trans-85.4111.5174.5-177.963.2000109.3V32 V38 L99 V102 N107 G108 Y110 V136V32-L134 HydrophobicContact CG2-CD1 4.08Å; V38-L134 HydrophobicContact CB-CD1 4.45Å; V38-L134 HydrophobicContact CG1-CD1 4.17Å; V38-L134 HydrophobicContact CG1-CD2 4.14Å; V38-L134 HydrophobicContact CG2-CD1 3.98Å; L99-L134 HydrophobicContact CD1-CD2 4.32Å; V102-L134 HydrophobicContact CG1-CD2 4.31Å; N107-L134 WeakPolarHBondContact CA-O 3.32Å; N107-L134 PolarHBondContact OD1-O 3.4Å; G108-L134 PolarHBondContact N-O 2.91Å; G108-L134 PolarHBondContact O-N 3.34Å; Y110-L134 HydrophobicContact CD2-CB 3.86Å; Y110-L134 HydrophobicContact CE2-CB 3.63Å; Y110-L134 HydrophobicContact CE2-CD2 3.8Å; Y110-L134 HydrophobicContact CE2-CG 4.37Å; L134-V136 HydrophobicContact CD2-CG2 4.16Å; L134-V136 HydrophobicContact CG-CG2 3.97Å
135T93.4Very high91.1Very high58 Ų5847.8 Ų47.836%0.35627%0.274SS..  trans-92.8117.8172.2-58.30000109.6P31 V32 F133P31-T135 WeakPolarHBondContact CA-O 3.26Å; P31-T135 HydrophobicContact CB-CG2 4.08Å; P31-T135 HydrophobicContact CG-CG2 4.37Å; V32-T135 PolarHBondContact N-O 3.49Å; F133-T135 PolarHBondContact O-N 2.89Å
136V94.5Very high92.2Very high1 Ų150 Ų501%0.00628%0.283CS..EExtended strand (participates in β ladder)trans-107.6122.5178.4-173.10000109.7V32 V34 V102 N107 L134V32-V136 CarbonylContact O-C 3.6Å; V32-V136 WeakPolarHBondContact O-CA 3.45Å; V34-V136 HydrophobicContact CG2-CG1 3.68Å; V102-V136 HydrophobicContact CG1-CB 4.32Å; V102-V136 HydrophobicContact CG1-CG1 3.87Å; V102-V136 HydrophobicContact CG1-CG2 3.44Å; V102-V136 VanDerWaalsContact CG1-CG2 3.44Å; N107-V136 HydrophobicContact CB-CB 4.16Å; N107-V136 HydrophobicContact CB-CG2 4.05Å; N107-V136 PolarHBondContact OD1-N 2.77Å; N107-V136 VanDerWaalsContact OD1-N 3.09Å; L134-V136 HydrophobicContact CD2-CG2 4.16Å; L134-V136 HydrophobicContact CG-CG2 3.97Å
137M95.4Very high93Very high24 Ų2448.3 Ų48.312%0.11828%0.275CS..EExtended strand (participates in β ladder)trans-98.5139.5177-57.3-173.3-64.400111.1P31 V32 V33 V34 K172 P324 A325P31-M137 HydrophobicContact CB-CE 3.73Å; P31-M137 HydrophobicContact CB-CG 3.86Å; P31-M137 HydrophobicContact CB-SD 3.67Å; V32-M137 PolarHBondContact O-N 3.47Å; V33-M137 WeakPolarHBondContact CA-O 3.25Å; V33-M137 HydrophobicContact CG2-CE 4.1Å; V34-M137 WeakPolarHBondContact CG2-O 3.44Å; V34-M137 PolarHBondContact N-O 2.87Å; M137-K172 CarbonylContact C-O 3.53Å; M137-K172 WeakPolarHBondContact CA-O 3.05Å; M137-K172 WeakPolarHBondContact CB-O 3.41Å; M137-P324 HydrophobicContact SD-CB 3.89Å; M137-A325 HydrophobicContact CB-CB 3.88Å; M137-A325 HydrophobicContact CE-CB 4.2Å
138S94.9Very high93.5Very high16 Ų1645.9 Ų45.911%0.11226%0.26CS..BIsolated β-bridgetrans-116.2118.6174.8-177.30000109G170 G171 K172 H323S138-G170 WeakPolarHBondContact CB-O 3.35Å; S138-G170 PolarHBondContact OG-O 2.81Å; S138-G171 CarbonylContact O-C 3.58Å; S138-G171 WeakPolarHBondContact O-CA 3.4Å; S138-K172 PolarHBondContact N-O 2.94Å; S138-K172 PolarHBondContact O-N 2.86Å; S138-H323 PolarHBondContact O-CE1 3.18Å; S138-H323 PolarHBondContact O-NE2 3.21Å
139P95.1Very high93.5Very high39 Ų3950.8 Ų50.825%0.25328%0.283SS..  trans-67.3150.717429.1-32.8000110.5V33 N141 A325 L326V33-P139 HydrophobicContact CG1-CG 4.4Å; P139-N141 PolarHBondContact O-N 2.89Å; P139-A325 HydrophobicContact CB-CB 4.21Å; P139-L326 HydrophobicContact CB-CD2 3.7Å; P139-L326 HydrophobicContact CB-CG 4.18Å
140P95.6Very high93.1Very high7 Ų749.4 Ų49.45%0.04527%0.272CS..  trans-61.5138.2172.425.7-31.7000110.3K169 V321 H323 L326 M330P140-K169 CarbonylContact C-O 3.57Å; P140-K169 WeakPolarHBondContact CA-O 3.44Å; P140-K169 WeakPolarHBondContact CB-O 3.43Å; P140-V321 HydrophobicContact CG-CG1 4.33Å; P140-H323 HydrophobicContact CG-CB 4.28Å; P140-L326 HydrophobicContact CG-CD1 3.86Å; P140-M330 HydrophobicContact CB-SD 4.36Å; P140-M330 HydrophobicContact CG-SD 3.87Å; P140-M330 VanDerWaalsContact O-SD 3.39Å
141N93.1Very high92.9Very high120 Ų12052 Ų5264%0.64229%0.286SS*.  trans-99-22.5-17462.71.4000113.3P139 K169P139-N141 PolarHBondContact O-N 2.89Å; N141-K169 PolarHBondContact N-O 2.84Å; N141-K169 PolarHBondContact OD1-O 3.32Å
142N94.3Very high92.6Very high82 Ų8247.3 Ų47.344%0.43926%0.264SS..EExtended strand (participates in β ladder)trans-150.5136.7-176-171.3-64.3000109.9K169N142-K169 PolarHBondContact O-N 2.87Å
143I95.9Very high92.4Very high25 Ų2551.4 Ų51.413%0.12829%0.285CS..EExtended strand (participates in β ladder)trans-127.2139.2171.562.3169.3000109.3T167 A168 V321 M330 Q331 T332I143-T167 VanDerWaalsContact CA-O 3.32Å; I143-T167 WeakPolarHBondContact CA-O 3.46Å; I143-A168 HydrophobicContact CG2-CB 4.1Å; I143-V321 HydrophobicContact CG2-CB 4.31Å; I143-V321 HydrophobicContact CG2-CG2 3.85Å; I143-M330 HydrophobicContact CD1-CB 3.74Å; I143-M330 HydrophobicContact CG1-CE 4.22Å; I143-M330 HydrophobicContact CG2-CB 4.43Å; I143-M330 HydrophobicContact CG2-CE 4.25Å; I143-M330 HydrophobicContact CG2-SD 4.37Å; I143-Q331 VanDerWaalsContact CD1-C 3.41Å; I143-T332 HydrophobicContact CB-CG2 4.41Å; I143-T332 HydrophobicContact CD1-CG2 3.78Å; I143-T332 HydrophobicContact CG1-CG2 4.02Å
144S95.3Very high92.1Very high36 Ų3648.7 Ų48.725%0.25227%0.273SS..EExtended strand (participates in β ladder)trans-144.9141.8177.567.70000111.3C166 T167S144-C166 CarbonylContact O-C 3.54Å; S144-C166 WeakPolarHBondContact O-CA 3.3Å; S144-T167 PolarHBondContact N-O 2.83Å; S144-T167 PolarHBondContact O-N 2.95Å
145V95.7Very high91.7Very high15 Ų1550.4 Ų50.49%0.09129%0.285CS..EExtended strand (participates in β ladder)trans-112.6130.5173.2172.50000109.5L164 V165 C166 C319 T332 V334V145-L164 HydrophobicContact CG1-CD2 4.15Å; V145-V165 WeakPolarHBondContact CA-O 3.36Å; V145-C166 HydrophobicContact CG2-CB 3.97Å; V145-C319 HydrophobicContact CG2-CB 3.47Å; V145-C319 VanDerWaalsContact CG2-CB 3.47Å; V145-T332 HydrophobicContact CB-CG2 4.34Å; V145-T332 HydrophobicContact CG2-CG2 3.5Å; V145-T332 VanDerWaalsContact CG2-CG2 3.5Å; V145-V334 HydrophobicContact CB-CG1 3.94Å; V145-V334 HydrophobicContact CB-CG2 4.49Å; V145-V334 HydrophobicContact CG1-CB 4.44Å; V145-V334 HydrophobicContact CG1-CG1 3.86Å; V145-V334 HydrophobicContact CG1-CG2 3.65Å
146L95.1Very high91.1Very high105 Ų10557 Ų5755%0.5530%0.304SS..EExtended strand (participates in β ladder)trans-132155.8178.9-62.1173.5000109.5V165L146-V165 PolarHBondContact N-O 3.28Å; L146-V165 PolarHBondContact O-N 3.02Å
147A93.9Very high90.2Very high13 Ų1366.4 Ų66.411%0.10734%0.341CS..EExtended strand (participates in β ladder)trans-90.5136.5168.800000109.4T150 F162 F374 P375A147-T150 HydrophobicContact CB-CG2 3.44Å; A147-T150 VanDerWaalsContact CB-CG2 3.44Å; A147-T150 PolarHBondContact O-OG1 3.16Å; A147-F162 HydrophobicContact CB-CE1 4.4Å; A147-F162 HydrophobicContact CB-CE2 3.83Å; A147-F162 HydrophobicContact CB-CZ 3.48Å; A147-F162 VanDerWaalsContact CB-CZ 3.48Å; A147-F374 HydrophobicContact CB-CE1 4.46Å; A147-F374 HydrophobicContact CB-CE2 4.05Å; A147-F374 HydrophobicContact CB-CZ 3.7Å; A147-P375 HydrophobicContact CB-CB 4.02Å
148E92.9Very high89.4Confident63 Ų6372.1 Ų72.129%0.29437%0.367SS..THydrogen-bonded Turntrans-79.8149.9172.6-158174.1-172.300110.5T150 T163 V165 R302E148-T150 VanDerWaalsContact C-N 3.26Å; E148-T150 PolarHBondContact O-N 3.18Å; E148-T163 HydrophobicContact CB-CG2 4.18Å; E148-T163 PolarHBondContact N-O 3.32Å; E148-T163 WeakPolarHBondContact OE2-CG2 3.5Å; E148-V165 HydrophobicContact CB-CG2 3.98Å; E148-R302 IonicContact OE1-CZ 3.81Å; E148-R302 IonicContact OE1-NH1 2.71Å; E148-R302 PolarHBondContact OE1-NH1 2.88Å; E148-R302 IonicContact OE2-NH1 3.45Å; E148-R302 PolarHBondContact OE2-NH1 3.06Å
149N87.2Confident88.6Confident127 Ų12773.7 Ų73.768%0.67938%0.381SS*.THydrogen-bonded Turntrans59.332.4176.1-53.1-50.3000114.2A152N149-A152 WeakPolarHBondContact O-CB 2.87Å
150T83.9Confident88.1Confident43 Ų4374.1 Ų74.126%0.26438%0.38SS..  trans-106.8140.7174.956.50000111.6A147 E148 F162 P375A147-T150 HydrophobicContact CB-CG2 3.44Å; A147-T150 VanDerWaalsContact CB-CG2 3.44Å; A147-T150 PolarHBondContact O-OG1 3.16Å; E148-T150 VanDerWaalsContact C-N 3.26Å; E148-T150 PolarHBondContact O-N 3.18Å; T150-F162 HydrophobicContact CG2-CE2 4.26Å; T150-P375 HydrophobicContact CG2-CB 3.55Å
151P84.9Confident87.8Confident66 Ų6679.3 Ų79.343%0.42941%0.407SS..SBendcis-77.8143.58.230.3-35.1000113.8E376 L378P151-E376 WeakPolarHBondContact CB-O 3.41Å; P151-L378 HydrophobicContact CB-CB 4.3Å; P151-L378 HydrophobicContact CB-CD1 4.41Å; P151-L378 HydrophobicContact CG-CD1 4.24Å
152A86Confident87.8Confident23 Ų2374 Ų7419%0.1938%0.378CS..  trans-130.4149.218000000111.7N149 N420 P421N149-A152 WeakPolarHBondContact O-CB 2.87Å; A152-N420 WeakPolarHBondContact O-CA 3.27Å; A152-P421 HydrophobicContact CB-CG 3.65Å; A152-P421 WeakPolarHBondContact O-CD 3.36Å
153L87.8Confident87.8Confident102 Ų10270.6 Ų70.653%0.53436%0.361SS..  trans-72.1146.4-177.5-69.4171.5000111.7Q160 L378 Q419L153-Q160 PolarHBondContact O-NE2 3.08Å; L153-Q160 PolarHBondContact O-OE1 3.18Å; L153-L378 HydrophobicContact CD2-CD2 3.52Å; L153-Q419 HydrophobicContact CD2-CG 4.3Å
154F87.4Confident87.8Confident56 Ų5669.4 Ų69.425%0.24636%0.355CS..  trans-72.3132.1168.2-178.8-119.1000110.3R156 P309 Q419 N420 G423F154-R156 HydrophobicContact CE1-CB 4.14Å; F154-R156 HydrophobicContact CZ-CB 4.49Å; F154-P309 HydrophobicContact CE2-CB 4.42Å; F154-P309 HydrophobicContact CE2-CG 4.06Å; F154-Q419 HydrophobicContact CB-CB 4.27Å; F154-N420 WeakPolarHBondContact CA-O 3.49Å; F154-N420 VanDerWaalsContact CB-O 3.24Å; F154-N420 WeakPolarHBondContact CB-O 3.37Å; F154-G423 VanDerWaalsContact CD2-CA 3.49Å
155S83.9Confident87.9Confident37 Ų3768.2 Ų68.226%0.25935%0.345SS..  trans-122.2118.1170-174.80000110Y157 Q158 Q160S155-Y157 VanDerWaalsContact C-N 3.31Å; S155-Y157 PolarHBondContact OG-N 2.86Å; S155-Q158 PolarHBondContact OG-N 2.96Å; S155-Q158 VanDerWaalsContact OG-N 3.15Å; S155-Q160 VanDerWaalsContact N-NE2 3.18Å
156R79.6Confident88Confident198 Ų19867.5 Ų67.575%0.74734%0.341SS*.SBendtrans-74.3-25.6172.5-178.1-179-69-132.9-0.2112.3F154F154-R156 HydrophobicContact CE1-CB 4.14Å; F154-R156 HydrophobicContact CZ-CB 4.49Å
157Y76.2Confident88.1Confident197 Ų19763.4 Ų63.477%0.77332%0.32SS*.SBendtrans-101.4-17.4-167.8-56.6-68.2000113.4S155S155-Y157 VanDerWaalsContact C-N 3.31Å; S155-Y157 PolarHBondContact OG-N 2.86Å
158Q78.5Confident88.2Confident144 Ų14462.8 Ų62.867%0.67332%0.315SS*.SBendtrans-131.3128-175.9-172177.26.800110S155S155-Q158 PolarHBondContact OG-N 2.96Å; S155-Q158 VanDerWaalsContact OG-N 3.15Å
159A77.8Confident88.3Confident49 Ų4964.4 Ų64.441%0.40532%0.322SS..  trans-66.9134.9170.600000109.9T306A159-T306 HydrophobicContact CB-CG2 3.56Å
160Q84.1Confident88.6Confident48 Ų4858.9 Ų58.922%0.22429%0.294CS..  trans-105.7140.6-180-64.6-178.337.500109.7L153 S155 L307L153-Q160 PolarHBondContact O-NE2 3.08Å; L153-Q160 PolarHBondContact O-OE1 3.18Å; S155-Q160 VanDerWaalsContact N-NE2 3.18Å; Q160-L307 WeakPolarHBondContact O-CB 3.49Å; Q160-L307 PolarHBondContact O-N 2.83Å
161N90Very high89Confident116 Ų11656.8 Ų56.862%0.6228%0.282SS*.EExtended strand (participates in β ladder)trans-81.6122.5168.5-67.9-18.4000107.9T304 W305 T306N161-T304 HydrophobicContact CB-CG2 4.27Å; N161-W305 CarbonylContact C-O 3.55Å; N161-W305 WeakPolarHBondContact CA-O 3.44Å; N161-T306 PolarHBondContact OD1-OG1 3.07Å
162F92.9Very high89.4Confident8 Ų855.7 Ų55.74%0.03527%0.27CS..EExtended strand (participates in β ladder)trans-110.3137.1179.2-172.6-100.1000109A147 T150 L164 T304 W305 L307 L336 P375 P421A147-F162 HydrophobicContact CB-CE1 4.4Å; A147-F162 HydrophobicContact CB-CE2 3.83Å; A147-F162 HydrophobicContact CB-CZ 3.48Å; A147-F162 VanDerWaalsContact CB-CZ 3.48Å; T150-F162 HydrophobicContact CG2-CE2 4.26Å; F162-L164 HydrophobicContact CD1-CG 4.44Å; F162-L164 HydrophobicContact CE1-CD2 3.62Å; F162-L164 HydrophobicContact CE1-CG 3.92Å; F162-L164 HydrophobicContact CZ-CD2 4.24Å; F162-T304 WeakPolarHBondContact O-CA 3.39Å; F162-W305 AromaticContact CD1-CH2 3.46Å; F162-W305 HydrophobicContact CD1-CH2 3.46Å; F162-W305 VanDerWaalsContact CD1-CH2 3.46Å; F162-W305 AromaticContact CD1-CZ2 3.67Å; F162-W305 HydrophobicContact CD1-CZ2 3.67Å; F162-W305 AromaticContact CD1-CZ3 4Å; F162-W305 HydrophobicContact CD1-CZ3 4Å; F162-W305 AromaticContact CE1-CH2 3.91Å; F162-W305 HydrophobicContact CE1-CH2 3.91Å; F162-W305 HydrophobicContact CE1-CZ2 4.32Å; F162-W305 PolarHBondContact N-O 2.81Å; F162-W305 PolarHBondContact O-N 3.04Å; F162-L307 HydrophobicContact CB-CB 3.89Å; F162-L307 HydrophobicContact CB-CD1 3.98Å; F162-L307 HydrophobicContact CB-CD2 4.34Å; F162-L307 HydrophobicContact CB-CG 4.31Å; F162-L307 HydrophobicContact CD1-CD1 4.26Å; F162-L307 HydrophobicContact CG-CD1 4.12Å; F162-L336 HydrophobicContact CE1-CD1 4.5Å; F162-L336 HydrophobicContact CE1-CD2 3.88Å; F162-L336 HydrophobicContact CZ-CD2 4.13Å; F162-P375 HydrophobicContact CE2-CB 3.96Å; F162-P375 HydrophobicContact CE2-CG 3.77Å; F162-P375 HydrophobicContact CZ-CB 4.06Å; F162-P375 HydrophobicContact CZ-CG 4Å; F162-P421 HydrophobicContact CD2-CG 4.47Å
163T95.2Very high89.8Confident12 Ų1257.7 Ų57.77%0.07428%0.281CS..EExtended strand (participates in β ladder)trans-123.5123.3-177.8-56.70000110.3E148 V165 R302 L303 T304E148-T163 HydrophobicContact CB-CG2 4.18Å; E148-T163 PolarHBondContact N-O 3.32Å; E148-T163 WeakPolarHBondContact OE2-CG2 3.5Å; T163-V165 HydrophobicContact CG2-CG2 4.17Å; T163-R302 HydrophobicContact CG2-CB 4.15Å; T163-L303 CarbonylContact C-O 3.51Å; T163-L303 VanDerWaalsContact CA-O 3.25Å; T163-L303 WeakPolarHBondContact CA-O 3.31Å; T163-T304 WeakPolarHBondContact CG2-OG1 3.49Å; T163-T304 WeakPolarHBondContact OG1-CG2 3.12Å; T163-T304 PolarHBondContact OG1-OG1 2.78Å
164L96.2Very high90.2Very high0 Ų054.4 Ų54.40%027%0.268CS..EExtended strand (participates in β ladder)trans-92.9135.2166.5-71.3177.6000110.3V145 F162 F179 R302 L303 W305 F317 V334 F374V145-L164 HydrophobicContact CG1-CD2 4.15Å; F162-L164 HydrophobicContact CD1-CG 4.44Å; F162-L164 HydrophobicContact CE1-CD2 3.62Å; F162-L164 HydrophobicContact CE1-CG 3.92Å; F162-L164 HydrophobicContact CZ-CD2 4.24Å; L164-F179 HydrophobicContact CB-CE1 4.14Å; L164-R302 CarbonylContact O-C 3.59Å; L164-R302 WeakPolarHBondContact O-CA 3.3Å; L164-L303 HydrophobicContact CB-CB 4.43Å; L164-L303 PolarHBondContact N-O 2.82Å; L164-L303 PolarHBondContact O-N 2.93Å; L164-W305 HydrophobicContact CB-CZ3 4.2Å; L164-W305 HydrophobicContact CD1-CH2 3.52Å; L164-W305 HydrophobicContact CD1-CZ3 3.81Å; L164-W305 HydrophobicContact CG-CH2 3.61Å; L164-W305 HydrophobicContact CG-CZ3 3.71Å; L164-F317 HydrophobicContact CD1-CB 3.66Å; L164-F317 HydrophobicContact CD1-CD1 3.67Å; L164-F317 HydrophobicContact CD1-CD2 4.36Å; L164-F317 HydrophobicContact CD1-CE1 4.41Å; L164-F317 HydrophobicContact CD1-CG 3.62Å; L164-V334 HydrophobicContact CD2-CG2 4.4Å; L164-F374 HydrophobicContact CD2-CE1 3.74Å; L164-F374 HydrophobicContact CD2-CZ 3.77Å
165V96.9Very high90.6Very high10 Ų1051.9 Ų51.96%0.06126%0.258CS..EExtended strand (participates in β ladder)trans-119.4111.1-179.2-174.20000108.8V145 L146 E148 T163 Q300 A301 R302V145-V165 WeakPolarHBondContact CA-O 3.36Å; L146-V165 PolarHBondContact N-O 3.28Å; L146-V165 PolarHBondContact O-N 3.02Å; E148-V165 HydrophobicContact CB-CG2 3.98Å; T163-V165 HydrophobicContact CG2-CG2 4.17Å; V165-Q300 HydrophobicContact CG1-CG 3.51Å; V165-A301 CarbonylContact C-O 3.54Å; V165-A301 WeakPolarHBondContact CA-O 3.34Å; V165-R302 HydrophobicContact CG1-CG 4.44Å; V165-R302 HydrophobicContact CG2-CG 4.27Å
166C97.2Very high91.1Very high0 Ų052.9 Ų52.90%027%0.265CS..EExtended strand (participates in β ladder)trans-97.8125.4171.9-172.60000110.1S144 V145 V177 F179 Q300 A301 C319S144-C166 CarbonylContact O-C 3.54Å; S144-C166 WeakPolarHBondContact O-CA 3.3Å; V145-C166 HydrophobicContact CG2-CB 3.97Å; C166-V177 HydrophobicContact CB-CG1 4.19Å; C166-F179 HydrophobicContact CB-CE1 3.96Å; C166-F179 HydrophobicContact CB-CZ 3.65Å; C166-Q300 CarbonylContact O-C 3.51Å; C166-Q300 WeakPolarHBondContact O-CA 3.47Å; C166-A301 PolarHBondContact N-O 3.41Å; C166-A301 PolarHBondContact O-N 3.5Å; C166-C319 HydrophobicContact CB-CB 3.72Å; C166-C319 WeakPolarHBondContact CB-SG 3.31Å; C166-C319 WeakPolarHBondContact SG-CB 3.24Å; C166-C319 CovalentContact SG-SG 2.02Å; C166-C319 PolarHBondContact SG-SG 3.5Å
167T97.1Very high91.9Very high19 Ų1943.9 Ų43.912%0.11723%0.232CC..EExtended strand (participates in β ladder)trans-114.9118.5179.6-54.60000109.6I143 S144 K169 V298 V299I143-T167 VanDerWaalsContact CA-O 3.32Å; I143-T167 WeakPolarHBondContact CA-O 3.46Å; S144-T167 PolarHBondContact N-O 2.83Å; S144-T167 PolarHBondContact O-N 2.95Å; T167-K169 HydrophobicContact CG2-CG 4.1Å; T167-V298 HydrophobicContact CG2-CG1 3.83Å; T167-V299 WeakPolarHBondContact CA-O 3.41Å
168A96.9Very high92.8Very high0 Ų038.2 Ų38.20%021%0.21CC..EExtended strand (participates in β ladder)trans-110.2123.2174.200000110.1I143 P175 V298 V299 V321I143-A168 HydrophobicContact CG2-CB 4.1Å; A168-P175 HydrophobicContact CB-CG 4.04Å; A168-V298 CarbonylContact O-C 3.57Å; A168-V298 WeakPolarHBondContact O-CA 3Å; A168-V299 PolarHBondContact N-O 3Å; A168-V299 PolarHBondContact O-N 2.83Å; A168-V321 HydrophobicContact CB-CG1 4Å; A168-V321 HydrophobicContact CB-CG2 4.23Å
169K95.1Very high93.7Very high98 Ų9831.8 Ų31.843%0.42618%0.179SC..EExtended strand (participates in β ladder)trans-112.4149.6-174.1-60.9-176.6-178.9178.20112.2P140 N141 N142 T167 V298P140-K169 CarbonylContact C-O 3.57Å; P140-K169 WeakPolarHBondContact CA-O 3.44Å; P140-K169 WeakPolarHBondContact CB-O 3.43Å; N141-K169 PolarHBondContact N-O 2.84Å; N141-K169 PolarHBondContact OD1-O 3.32Å; N142-K169 PolarHBondContact O-N 2.87Å; T167-K169 HydrophobicContact CG2-CG 4.1Å; K169-V298 HydrophobicContact CB-CG2 4.36Å; K169-V298 HydrophobicContact CG-CG1 4.01Å; K169-V298 HydrophobicContact CG-CG2 4.13Å
170G92.1Very high94.5Very high10 Ų1031.4 Ų31.410%0.10317%0.169CC..EExtended strand (participates in β ladder)trans82.59.216900000116.1S138S138-G170 WeakPolarHBondContact CB-O 3.35Å; S138-G170 PolarHBondContact OG-O 2.81Å
171G93Very high94.9Very high0 Ų031.6 Ų31.60%017%0.167CC..EExtended strand (participates in β ladder)trans-81.7135.6-177.700000113.2S138 P173 V297S138-G171 CarbonylContact O-C 3.58Å; S138-G171 WeakPolarHBondContact O-CA 3.4Å; G171-P173 CarbonylContact C-O 3.59Å; G171-P173 VanDerWaalsContact C-O 3.3Å; G171-V297 PolarHBondContact N-O 3.46Å; G171-V297 PolarHBondContact O-N 2.84Å
172K94.4Very high95Very high42 Ų4230.8 Ų30.818%0.18316%0.163CC..BIsolated β-bridgetrans-143.4112.5169.3-175.4-175.7-178.6178.70108.4I104 M137 S138 G295 H323I104-K172 HydrophobicContact CG2-CD 3.68Å; M137-K172 CarbonylContact C-O 3.53Å; M137-K172 WeakPolarHBondContact CA-O 3.05Å; M137-K172 WeakPolarHBondContact CB-O 3.41Å; S138-K172 PolarHBondContact N-O 2.94Å; S138-K172 PolarHBondContact O-N 2.86Å; K172-G295 WeakPolarHBondContact CD-O 3.48Å; K172-H323 PolarHBondContact N-NE2 3.16Å; K172-H323 PolarHBondContact O-CE1 3.02Å; K172-H323 PolarHBondContact O-NE2 2.82Å
173P93.8Very high94.9Very high66 Ų6633 Ų3343%0.42919%0.187SC..SBendcis-67.1176.9-0.830.9-37.2000113.5G171 H323 P324G171-P173 CarbonylContact C-O 3.59Å; G171-P173 VanDerWaalsContact C-O 3.3Å; P173-H323 WeakPolarHBondContact CD-NE2 3.39Å; P173-H323 PolarHBondContact O-CD2 2.85Å; P173-H323 PolarHBondContact O-NE2 2.84Å; P173-P324 HydrophobicContact CG-CG 4.15Å
174A95.1Very high94.7Very high32 Ų3239.7 Ų39.726%0.26422%0.218SC..PPolyproline II helixtrans-56.9126.2179.400000111.1V297 V299A174-V297 HydrophobicContact CB-CB 4.26Å; A174-V297 HydrophobicContact CB-CG1 4.05Å; A174-V299 HydrophobicContact CB-CG2 4.14Å
175P96.1Very high94.6Very high4 Ų444.4 Ų44.43%0.02624%0.243CC..PPolyproline II helixtrans-71.4153.1-179.428.3-36000112.2A168 V299 V321 H323A168-P175 HydrophobicContact CB-CG 4.04Å; P175-V299 HydrophobicContact CG-CB 4.26Å; P175-V299 HydrophobicContact CG-CG2 3.83Å; P175-V321 HydrophobicContact CB-CG1 3.65Å; P175-V321 HydrophobicContact CG-CG1 4.29Å; P175-H323 HydrophobicContact CB-CB 4.32Å
176S95.2Very high94.4Very high58 Ų5844.7 Ų44.741%0.40624%0.244SC..EExtended strand (participates in β ladder)trans-93.6133.8175.3-59.80000110.1V321 K322S176-V321 CarbonylContact O-C 3.57Å; S176-V321 WeakPolarHBondContact O-CA 3.45Å; S176-K322 PolarHBondContact N-O 2.87Å; S176-K322 PolarHBondContact O-N 2.64Å
177V96.1Very high94.1Very high8 Ų853.3 Ų53.35%0.04828%0.284CS..EExtended strand (participates in β ladder)trans-118.4134.1-174.5-176.50000110.3C166 V299 A301 C319 V321C166-V177 HydrophobicContact CB-CG1 4.19Å; V177-V299 HydrophobicContact CG2-CB 4.48Å; V177-V299 HydrophobicContact CG2-CG1 3.82Å; V177-A301 HydrophobicContact CB-CB 3.8Å; V177-A301 HydrophobicContact CG1-CB 3.57Å; V177-A301 HydrophobicContact CG2-CB 4.3Å; V177-C319 WeakPolarHBondContact CG1-SG 3.28Å; V177-V321 HydrophobicContact CG1-CG2 4.5Å; V177-V321 HydrophobicContact CG2-CG2 4.26Å
178Y95.6Very high93.8Very high79 Ų7955.1 Ų55.131%0.3130%0.295SS..EExtended strand (participates in β ladder)trans-131.1146.5179.6-57.5-85.3000110L185 C319 E320 K322Y178-L185 HydrophobicContact CD1-CD1 4.23Å; Y178-L185 HydrophobicContact CG-CD1 4.33Å; Y178-C319 CarbonylContact O-C 3.56Å; Y178-C319 WeakPolarHBondContact O-CA 3.46Å; Y178-E320 PolarHBondContact N-O 3.48Å; Y178-E320 PolarHBondContact O-N 3.09Å; Y178-K322 HydrophobicContact CD2-CD 4.32Å; Y178-K322 HydrophobicContact CD2-CG 4.35Å; Y178-K322 HydrophobicContact CE2-CB 4.32Å; Y178-K322 HydrophobicContact CE2-CD 3.81Å; Y178-K322 HydrophobicContact CE2-CG 4.08Å
179F96.5Very high93.5Very high8 Ų857.6 Ų57.64%0.03531%0.308CS..EExtended strand (participates in β ladder)trans-107.9141.1173.2-71.4-89.6000110.3L164 C166 I186 F285 A301 L303 S318 C319L164-F179 HydrophobicContact CB-CE1 4.14Å; C166-F179 HydrophobicContact CB-CE1 3.96Å; C166-F179 HydrophobicContact CB-CZ 3.65Å; F179-I186 HydrophobicContact CB-CD1 3.97Å; F179-I186 PolarHBondContact O-N 3.5Å; F179-F285 HydrophobicContact CD2-CD2 4.11Å; F179-F285 HydrophobicContact CD2-CE2 4.05Å; F179-F285 HydrophobicContact CE2-CD2 4.17Å; F179-F285 AromaticContact CE2-CE2 3.96Å; F179-F285 HydrophobicContact CE2-CE2 3.96Å; F179-A301 HydrophobicContact CE2-CB 3.95Å; F179-A301 HydrophobicContact CZ-CB 4.39Å; F179-L303 HydrophobicContact CB-CD2 3.86Å; F179-L303 HydrophobicContact CD1-CB 4.26Å; F179-L303 HydrophobicContact CD1-CD2 4.03Å; F179-L303 HydrophobicContact CD2-CB 3.84Å; F179-L303 HydrophobicContact CD2-CD1 4.31Å; F179-L303 HydrophobicContact CD2-CD2 4.36Å; F179-L303 HydrophobicContact CD2-CG 4.4Å; F179-L303 HydrophobicContact CE1-CB 4.19Å; F179-L303 HydrophobicContact CE2-CB 3.77Å; F179-L303 HydrophobicContact CG-CB 4.08Å; F179-L303 HydrophobicContact CG-CD2 3.84Å; F179-L303 HydrophobicContact CG-CG 4.37Å; F179-L303 HydrophobicContact CZ-CB 3.94Å; F179-S318 CarbonylContact C-O 3.59Å; F179-S318 WeakPolarHBondContact CA-O 3.44Å; F179-C319 HydrophobicContact CE1-CB 4.38Å
180K94.9Very high92.8Very high42 Ų4254.6 Ų54.618%0.18330%0.299CS..EExtended strand (participates in β ladder)trans-123.1146.4170.6-54.8174.1167.6170.90110.8E184 L185 F317 S318 E320K180-E184 CarbonylContact C-O 3.52Å; K180-E184 WeakPolarHBondContact CA-O 3.28Å; K180-E184 WeakPolarHBondContact CB-O 3.5Å; K180-L185 HydrophobicContact CG-CD1 4.39Å; K180-F317 WeakPolarHBondContact O-CA 3.16Å; K180-S318 WeakPolarHBondContact CB-OG 3.24Å; K180-S318 PolarHBondContact N-O 2.93Å; K180-S318 PolarHBondContact O-N 2.77Å; K180-E320 WeakPolarHBondContact CE-OE2 3.37Å; K180-E320 IonicContact NZ-OE2 2.7Å; K180-E320 PolarHBondContact NZ-OE2 3.18Å
181R93.8Very high91.6Very high51 Ų5160.2 Ų60.219%0.19232%0.318CS..EExtended strand (participates in β ladder)trans-111.1123.9169.5177.3179.8-177.8140.910.2107.8G183 E184 I186 Y283 L311 D312 L316 F317R181-G183 PolarHBondContact O-N 2.95Å; R181-E184 PolarHBondContact N-O 2.78Å; R181-E184 PolarHBondContact O-N 2.84Å; R181-I186 HydrophobicContact CB-CD1 3.93Å; R181-I186 HydrophobicContact CB-CG1 3.9Å; R181-Y283 PolarHBondContact NH1-OH 2.84Å; R181-L311 PolarHBondContact NH2-O 2.79Å; R181-D312 IonicContact CZ-OD1 3.26Å; R181-D312 VanDerWaalsContact CZ-OD1 3.26Å; R181-D312 IonicContact NH1-OD1 3.49Å; R181-D312 PolarHBondContact NH1-OD1 2.89Å; R181-D312 IonicContact NH2-OD1 2.83Å; R181-D312 PolarHBondContact NH2-OD1 3.04Å; R181-L316 CarbonylContact C-O 3.54Å; R181-L316 WeakPolarHBondContact CA-O 3.38Å; R181-F317 HydrophobicContact CB-CE1 4.37Å; R181-F317 HydrophobicContact CG-CZ 4.41Å
182D91Very high89.7Confident100 Ų10065.7 Ų65.754%0.53535%0.352SS..THydrogen-bonded Turntrans5231.4178-52.9-48.1000113.6L316D182-L316 PolarHBondContact N-O 3.26Å; D182-L316 PolarHBondContact OD1-N 2.93Å
183G90.1Very high87.4Confident53 Ų5372.4 Ų72.455%0.54638%0.384SS..THydrogen-bonded Turntrans92.2-11.5-178.700000115.8R181R181-G183 PolarHBondContact O-N 2.95Å
184E92.6Very high84.7Confident153 Ų15374.7 Ų74.772%0.71540%0.399SS*.EExtended strand (participates in β ladder)trans-96.2140.6179.1-171.8172.5-172.500112.2K180 R181 I186K180-E184 CarbonylContact C-O 3.52Å; K180-E184 WeakPolarHBondContact CA-O 3.28Å; K180-E184 WeakPolarHBondContact CB-O 3.5Å; R181-E184 PolarHBondContact N-O 2.78Å; R181-E184 PolarHBondContact O-N 2.84Å; E184-I186 PolarHBondContact O-N 2.81Å
185L92.5Very high81.8Confident99 Ų9977.4 Ų77.452%0.51842%0.416SS..EExtended strand (participates in β ladder)trans-65.7129.7179.2-169.376.2000111Y178 K180Y178-L185 HydrophobicContact CD1-CD1 4.23Å; Y178-L185 HydrophobicContact CG-CD1 4.33Å; K180-L185 HydrophobicContact CG-CD1 4.39Å
186I93.1Very high79.1Confident16 Ų1683.1 Ų83.18%0.08245%0.45CS..PPolyproline II helixtrans-78.6129.2179.2-61.5176.7000110.1F179 R181 E184 V188 Y283 L303 F317F179-I186 HydrophobicContact CB-CD1 3.97Å; F179-I186 PolarHBondContact O-N 3.5Å; R181-I186 HydrophobicContact CB-CD1 3.93Å; R181-I186 HydrophobicContact CB-CG1 3.9Å; E184-I186 PolarHBondContact O-N 2.81Å; I186-V188 HydrophobicContact CB-CG1 4.45Å; I186-V188 HydrophobicContact CG2-CG1 3.9Å; I186-Y283 HydrophobicContact CD1-CE1 4.27Å; I186-Y283 HydrophobicContact CG2-CD1 3.89Å; I186-Y283 HydrophobicContact CG2-CD2 3.22Å; I186-Y283 HydrophobicContact CG2-CE1 4.32Å; I186-Y283 HydrophobicContact CG2-CE2 3.69Å; I186-Y283 HydrophobicContact CG2-CG 3.32Å; I186-L303 HydrophobicContact CD1-CD2 3.71Å; I186-L303 HydrophobicContact CG2-CD1 4.49Å; I186-F317 HydrophobicContact CD1-CD1 4.04Å; I186-F317 HydrophobicContact CD1-CE1 3.89Å
187E90.4Very high76.4Confident181 Ų18185 Ų8585%0.84646%0.463SS*.PPolyproline II helixtrans-74.3123.6168.2-65.9-169.4173.800110.2
188V91.6Very high73.6Confident58 Ų5892.5 Ų92.535%0.35250%0.498SS..EExtended strand (participates in β ladder)trans-122.6147.2-171.8-63.50000113.3I186 Y283 F285 L303I186-V188 HydrophobicContact CB-CG1 4.45Å; I186-V188 HydrophobicContact CG2-CG1 3.9Å; V188-Y283 WeakPolarHBondContact CA-O 3.41Å; V188-F285 HydrophobicContact CB-CB 3.56Å; V188-F285 HydrophobicContact CB-CG 4.47Å; V188-F285 HydrophobicContact CG1-CB 3.93Å; V188-F285 HydrophobicContact CG2-CB 3.67Å; V188-F285 HydrophobicContact CG2-CG 4.14Å; V188-L303 HydrophobicContact CG1-CD1 3.72Å
189I90.3Very high70.7Confident51 Ų5199.5 Ų99.526%0.26252%0.524SS..EExtended strand (participates in β ladder)trans-94110.5169.1-57.5168.4000107.7L282 Y283 Y284 F285I189-L282 HydrophobicContact CD1-CB 4.44Å; I189-L282 HydrophobicContact CD1-CD2 4.34Å; I189-Y283 PolarHBondContact N-O 2.98Å; I189-Y284 HydrophobicContact CB-CD1 3.85Å; I189-Y284 HydrophobicContact CB-CE1 4.18Å; I189-Y284 HydrophobicContact CD1-CD1 4.24Å; I189-Y284 HydrophobicContact CD1-CE1 3.79Å; I189-Y284 HydrophobicContact CG2-CD1 4.04Å; I189-Y284 HydrophobicContact CG2-CE1 4.17Å; I189-Y284 WeakPolarHBondContact O-CA 3.34Å; I189-F285 PolarHBondContact O-N 2.9Å
190S81.8Confident67.7Low36 Ų36103.8 Ų103.825%0.25256%0.561SS.*EExtended strand (participates in β ladder)trans-82.2125.7-177.856.70000112.4F285S190-F285 WeakPolarHBondContact CA-O 3.32Å
191Y65.6Low64.7Low128 Ų128106.2 Ų106.250%0.50259%0.589SS.*  trans-99.5109.3164.8-69.1-72.7000110Y284 F285Y191-Y284 HydrophobicContact CD2-CD1 4.13Å; Y191-Y284 AromaticContact CE2-CD1 3.18Å; Y191-Y284 HydrophobicContact CE2-CD1 3.18Å; Y191-Y284 AromaticContact CE2-CE1 3.84Å; Y191-Y284 HydrophobicContact CE2-CE1 3.84Å; Y191-Y284 AromaticContact CE2-CG 3.8Å; Y191-Y284 HydrophobicContact CE2-CG 3.8Å; Y191-Y284 AromaticContact CZ-CD1 3.72Å; Y191-Y284 AromaticContact CZ-CE1 3.89Å; Y191-Y284 VanDerWaalsContact OH-CE1 3.24Å; Y191-Y284 WeakPolarHBondContact OH-CE1 3.36Å; Y191-F285 PolarHBondContact N-O 2.83Å
192T53.9Low61.8Low114 Ų114107.4 Ų107.470%0.69962%0.617SS**  trans-91.9108.5159.743.20000107.8
193E46.6Very low59.3Low184 Ų184109 Ų10986%0.8664%0.636SS**PPolyproline II helixtrans-61.4127.1166.2-76.8-172.7158.800108.7S195E193-S195 PolarHBondContact O-N 3.43Å
194P35.3Very low56.6Low114 Ų114111.2 Ų111.274%0.7465%0.649SS**PPolyproline II helixtrans-65.7121.6172.824.6-29.7000109
195S34.2Very low53.7Low89 Ų89107.5 Ų107.562%0.62265%0.652SS**PPolyproline II helixtrans-54.2140173.449.90000111E193 S197E193-S195 PolarHBondContact O-N 3.43Å; S195-S197 PolarHBondContact O-N 2.84Å
196T39.4Very low51Low123 Ų123115.4 Ų115.476%0.75568%0.675SS**THydrogen-bonded Turntrans-6932-174.449.50000115.7
197S39.3Very low48.3Very low97 Ų97125.2 Ų125.268%0.67871%0.711SS**THydrogen-bonded Turntrans-102.5-5.417557.70000114.5S195S195-S197 PolarHBondContact O-N 2.84Å
198E36.7Very low45.6Very low167 Ų167119.6 Ų119.678%0.7870%0.702SS**  trans-111.539.7-178.3-67.3-174.3166.400113.5A200E198-A200 VanDerWaalsContact C-N 3.28Å
199R34.8Very low42.8Very low225 Ų225120.7 Ų120.785%0.84972%0.716SS**  trans-8914169.9-81.6-174.1-178.2151.62.2114.1
200A34.4Very low40.4Very low99 Ų99128 Ų12882%0.81874%0.741SS**SBendtrans-128.951.3-179.800000112.7E198E198-A200 VanDerWaalsContact C-N 3.28Å
201A32.1Very low38.2Very low93 Ų93130.2 Ų130.277%0.76975%0.754SS**SBendtrans-153.6128.7156.400000109.3
202G31.5Very low37Very low75 Ų75130.9 Ų130.977%0.77377%0.766SS**  trans-66158.3-163.400000116.6A204G202-A204 PolarHBondContact O-N 3.08Å
203S39.4Very low36.5Very low133 Ų133131.9 Ų131.993%0.9377%0.765SS**  trans3102.2157.2-61.20000118.1
204A32.9Very low36.2Very low101 Ų101127.4 Ų127.484%0.83576%0.755SS**  trans-158.6110.6145.300000111.5G202G202-A204 PolarHBondContact O-N 3.08Å
205G31.3Very low36.8Very low74 Ų74133.1 Ų133.176%0.76376%0.762SS**  trans56103.214600000119.3R207G205-R207 PolarHBondContact O-N 2.71Å; G205-R207 VanDerWaalsContact O-N 3.08Å
206W36.2Very low37.4Very low266 Ų266136.4 Ų136.4100%1.00877%0.772SS**  trans-47112.8157.2-114.9-37.1000110.5
207R35.8Very low37.8Very low222 Ų222136 Ų13684%0.83877%0.765SS**  trans-112.6124155-80-151.7-73.3-103.51.2108.1G205G205-R207 PolarHBondContact O-N 2.71Å; G205-R207 VanDerWaalsContact O-N 3.08Å
208G34.4Very low38Very low63 Ų63137.6 Ų137.665%0.64977%0.766SS**  trans-56.9157.7-175.500000113.7R210G208-R210 PolarHBondContact O-N 3.26Å; G208-R210 VanDerWaalsContact O-N 3.16Å
209A33.3Very low38.4Very low80 Ų80137.7 Ų137.766%0.66177%0.766SS**  trans-43.3117.1170.800000110.4
210R40.4Very low39.1Very low204 Ų204132.7 Ų132.777%0.7776%0.76SS**  trans-89.9128.9164.4-71.2-175.8172.7-135.8-2.5106.9G208 L212G208-R210 PolarHBondContact O-N 3.26Å; G208-R210 VanDerWaalsContact O-N 3.16Å; R210-L212 PolarHBondContact O-N 2.88Å
211P35.1Very low39.3Very low83 Ų83135.2 Ų135.254%0.53975%0.753SS.*  trans-63.7119.3169.225.9-29.7000107.8I213P211-I213 VanDerWaalsContact C-N 3.3Å; P211-I213 PolarHBondContact O-N 2.83Å
212L40.4Very low40Very low142 Ų142135.3 Ų135.374%0.74374%0.74SS**  trans-7790.7169.1-69.5175.2000106.7R210 S214R210-L212 PolarHBondContact O-N 2.88Å; L212-S214 PolarHBondContact O-N 2.82Å
213I43.1Very low40.2Very low135 Ų135138.8 Ų138.869%0.69274%0.736SS**  trans-59.9120.1172.4-63.1166000107.1P211 R215P211-I213 VanDerWaalsContact C-N 3.3Å; P211-I213 PolarHBondContact O-N 2.83Å; I213-R215 PolarHBondContact O-N 2.02Å
214S40.8Very low40Very low91 Ų91143 Ų14364%0.63673%0.732SS**  trans-54.2119.8174.5-168.20000108.9L212 D216L212-S214 PolarHBondContact O-N 2.82Å; S214-D216 VanDerWaalsContact C-N 3.29Å; S214-D216 PolarHBondContact O-N 2.77Å
215R48.1Very low40.3Very low234 Ų234141.9 Ų141.988%0.88372%0.718SS**SBendtrans-78.778.5-172-178.4167.1167.5148.8-5.5109.8I213I213-R215 PolarHBondContact O-N 2.02Å
216D45.6Very low40.8Very low158 Ų158143.6 Ų143.685%0.84571%0.709SS**  trans-163.482.5156.3-93.9-27.5000108S214S214-D216 VanDerWaalsContact C-N 3.29Å; S214-D216 PolarHBondContact O-N 2.77Å
217L47.6Very low40.8Very low114 Ų114135.6 Ų135.660%0.59769%0.693SS**  trans-129.1129.5173.5-119.494.4000110.1
218D43.6Very low41.2Very low131 Ų131132.5 Ų132.570%0.70169%0.693SS**  trans-40.7132.4175.9-100.8-34.4000114T220 K221D218-T220 PolarHBondContact O-N 2.97Å; D218-K221 PolarHBondContact O-N 3.25Å
219E45.7Very low41.4Very low169 Ų169136.1 Ų136.179%0.7970%0.696SS**G310 helixtrans-58.1-20.4-175.7-72.9-177.1146.500114.2K221 L222E219-K221 VanDerWaalsContact C-N 3.34Å; E219-K221 PolarHBondContact O-N 3.47Å; E219-L222 PolarHBondContact O-N 2.7Å
220T49.5Very low41.2Very low119 Ų119139.6 Ų139.673%0.7370%0.704SS**G310 helixtrans-77.1-15.1-177.160.20000114.4D218D218-T220 PolarHBondContact O-N 2.97Å
221K38.9Very low41.4Very low152 Ų152135 Ų13566%0.66170%0.7SS**G310 helixtrans-96.6-13176.3-69.3-171.7179.3179.30113.7D218 E219D218-K221 PolarHBondContact O-N 3.25Å; E219-K221 VanDerWaalsContact C-N 3.34Å; E219-K221 PolarHBondContact O-N 3.47Å
222L46.1Very low41.1Very low95 Ų95140.2 Ų140.250%0.49772%0.718SS.*G310 helixtrans-77.9-27.2-175.5-139.9145.9000112.5E219 R224 S225 L226E219-L222 PolarHBondContact O-N 2.7Å; L222-R224 VanDerWaalsContact C-N 3.3Å; L222-R224 PolarHBondContact O-N 2.59Å; L222-S225 PolarHBondContact O-N 2.97Å; L222-S225 PolarHBondContact O-OG 3.16Å; L222-S225 VanDerWaalsContact O-OG 3.08Å; L222-L226 HydrophobicContact CD2-CD1 3.61Å; L222-L226 HydrophobicContact CD2-CG 4.36Å
223Q35.2Very low41.3Very low148 Ų148137.4 Ų137.469%0.69272%0.723SS**G310 helixtrans-70-22.4178.5-101.2157.9-50.200114.1S227Q223-S227 PolarHBondContact O-OG 3.41Å
224R35Very low40.5Very low223 Ų223142.7 Ų142.784%0.84273%0.734SS**G310 helixtrans-82.1-23.8-179.3-145.4-173.3-75.2174.9-3.8112.9L222L222-R224 VanDerWaalsContact C-N 3.3Å; L222-R224 PolarHBondContact O-N 2.59Å
225S39.7Very low39.9Very low77 Ų77144 Ų14454%0.53874%0.743SS.*THydrogen-bonded Turntrans-87.9-23.2179.457.80000113.6L222L222-S225 PolarHBondContact O-N 2.97Å; L222-S225 PolarHBondContact O-OG 3.16Å; L222-S225 VanDerWaalsContact O-OG 3.08Å
226L42.8Very low38.9Very low110 Ų110137.7 Ų137.758%0.57674%0.741SS**G310 helixtrans-82.3-12.3178.7-76.2166.3000114.2L222 L228L222-L226 HydrophobicContact CD2-CD1 3.61Å; L222-L226 HydrophobicContact CD2-CG 4.36Å; L226-L228 VanDerWaalsContact C-N 3.32Å; L226-L228 PolarHBondContact O-N 2.98Å
227S35.3Very low38.1Very low97 Ų97140.5 Ų140.568%0.67874%0.74SS**G310 helixtrans-82.1-3.4-179.6-33.80000114.6Q223Q223-S227 PolarHBondContact O-OG 3.41Å
228L43.7Very low37.2Very low157 Ų157143.4 Ų143.482%0.82276%0.755SS**G310 helixtrans-101.17.2179.6-86.5169.4000114L226L226-L228 VanDerWaalsContact C-N 3.32Å; L226-L228 PolarHBondContact O-N 2.98Å
229L40Very low36.4Very low139 Ų139147 Ų14773%0.72876%0.76SS**  trans-116.286.5177.2-72.3163.1000109
230D27.7Very low35.7Very low154 Ų154145.7 Ų145.782%0.82476%0.764SS**  trans-80.2134.7159-150.212.5000108.4
231P44.7Very low34.5Very low107 Ų107148.6 Ų148.670%0.69577%0.769SS**  trans-101.294.8-169.835.3-24.1000110.4
232E29.6Very low34.2Very low193 Ų193146.7 Ų146.790%0.90278%0.775SS**  trans-146.296.4161.6-108.5151.8-152.600110.7R234E232-R234 PolarHBondContact O-N 3.21Å
233G43.8Very low33.5Very low82 Ų82148.3 Ų148.385%0.84579%0.791SS**  trans-69.2120.5-179.900000112.3
234R26.6Very low33.1Very low247 Ų247150.1 Ų150.193%0.93280%0.8SS**  trans-139.4116.5151.9-72.9-169.8173.8177-1.1110E232E232-R234 PolarHBondContact O-N 3.21Å
235S29Very low32.8Very low118 Ų118150.9 Ų150.983%0.82580%0.803SS**PPolyproline II helixtrans-72.8119.6176.452.20000111.4
236A26.7Very low32.1Very low102 Ų102154.3 Ų154.384%0.84382%0.82SS**PPolyproline II helixtrans-101116.416700000109.9
237R29.2Very low31.3Very low216 Ų216157.6 Ų157.682%0.81583%0.832SS**PPolyproline II helixtrans-74.1132.3176-69.8176173.8169.8-2.4110.1
238L28.2Very low31Very low176 Ų176158.3 Ų158.392%0.92183%0.833SS**PPolyproline II helixtrans-78116.9166.8-80.1153.8000109.3
239Y27.3Very low30.1Very low205 Ų205160.6 Ų160.680%0.80484%0.839SS**PPolyproline II helixtrans-91.7123164.5-90.4-94.9000108.7
240T30.4Very low29.4Very low142 Ų142157.6 Ų157.687%0.87184%0.842SS**  trans-96115.716144.20000108.2
241E24.4Very low29.4Very low181 Ų181158.4 Ų158.485%0.84684%0.84SS**  trans-124.7113.4168.3-163172.5-172.400109.3
242S32.1Very low28.6Very low111 Ų111161.7 Ų161.778%0.77685%0.846SS**PPolyproline II helixtrans-90.7128.3171.342.30000109.7
243P32Very low28.6Very low130 Ų130156.9 Ų156.984%0.84484%0.84SS**PPolyproline II helixtrans-97.7131174.828.7-18.6000112.6
244Q26.4Very low27.8Very low186 Ų186164 Ų16487%0.86984%0.843SS**PPolyproline II helixtrans-82.2158.3167.1-91.9-109.3-29.300111.9
245R28.7Very low28.1Very low239 Ų239160.9 Ų160.990%0.90284%0.839SS**PPolyproline II helixtrans-58.5141.4173.7-73.4173.6171.2167.2-3.2113.2
246V25.6Very low28.2Very low149 Ų149161.1 Ų161.190%0.90384%0.838SS**  trans-133.4149.5154178.20000109.7
247H26.8Very low28.3Very low178 Ų178161.4 Ų161.482%0.82483%0.833SS**  trans-78163.2-165.5-143.545.9000114.6
248T27.4Very low28.7Very low113 Ų113157.4 Ų157.469%0.69384%0.835SS**  trans-52146.8-175.934.90000119.9
249Q25.1Very low28.8Very low204 Ų204153.6 Ų153.695%0.95383%0.829SS**  -176.7134.6112.9-110.6-175.8-3.500112.2
250G26.2Very low29.7Very low76 Ų76150.4 Ų150.478%0.78483%0.831SS**  trans151.2100.8167.200000114.6
251Q27.3Very low30Very low171 Ų171152.2 Ų152.280%0.79983%0.83SS**  trans-36.5156.9167.8-72.5153.7-5000114.8
252Q27.3Very low30.7Very low176 Ų176149.7 Ų149.782%0.82283%0.826SS**  cis-167.4162.118.3-123.7158.4-1000108.6
253A29.4Very low31Very low92 Ų92151.3 Ų151.376%0.7683%0.825SS**  trans-64.7149.7-172.100000116.5
254Y27.5Very low31.3Very low231 Ų231149.9 Ų149.991%0.90682%0.815SS**  trans-156.1128.1136.7-134.6-96.7000111.2
255E33.8Very low32.2Very low182 Ų182149.6 Ų149.685%0.8581%0.814SS**  trans-61.5149.1174.2-89.7169.9133.200113.1
256P30.2Very low33Very low124 Ų124143.6 Ų143.681%0.80580%0.804SS**  trans-112.9127.8153.121.3-3.5000112.5
257S29.3Very low33.7Very low107 Ų107142.3 Ų142.375%0.74880%0.796SS**  trans-59160.6167.357.60000113.2A259S257-A259 PolarHBondContact O-N 2.75Å
258P37.5Very low34.5Very low132 Ų132139.5 Ų139.586%0.85779%0.792SS**  trans-82.5112.1-168.433.3-30.3000111
259A31.1Very low35.3Very low96 Ų96136.9 Ų136.979%0.79378%0.778SS**  trans-101121.816400000108.5S257 E261S257-A259 PolarHBondContact O-N 2.75Å; A259-E261 PolarHBondContact O-N 2.83Å
260T44.9Very low36.5Very low139 Ų139138.6 Ų138.685%0.85378%0.776SS**  trans-64110-175.4-30.60000110.2
261E36.5Very low37.7Very low180 Ų180141.5 Ų141.584%0.84177%0.769SS**  trans-94.4113.7169.3-156.2171.6-164.400108.7A259 I263A259-E261 PolarHBondContact O-N 2.83Å; E261-I263 PolarHBondContact O-N 2.87Å
262V39Very low38.5Very low127 Ų127142 Ų14277%0.7777%0.769SS**  trans-66.2108.4-179.6175.20000108.6P264V262-P264 WeakPolarHBondContact O-CD 3.38Å
263I39.3Very low39.4Very low146 Ų146139.2 Ų139.275%0.74977%0.766SS**  trans-71.7121.3169.3-59.2162.4000107E261 E265E261-I263 PolarHBondContact O-N 2.87Å; I263-E265 PolarHBondContact O-N 3.3Å
264P38.7Very low40.4Very low99 Ų99145.3 Ų145.364%0.64377%0.769SS**  trans-69.6119.8168.527-28.4000107.8V262 T266V262-P264 WeakPolarHBondContact O-CD 3.38Å; P264-T266 PolarHBondContact O-N 3.27Å
265E45Very low41.7Very low180 Ų180144.2 Ų144.284%0.84176%0.763SS**  trans-63.179165.2-68-172.4163.900108.8I263 V267I263-E265 PolarHBondContact O-N 3.3Å; E265-V267 PolarHBondContact O-N 3.33Å
266T45.4Very low42.5Very low113 Ų113142.1 Ų142.169%0.69376%0.763SS**  trans-68.196.7151.854.70000104.9P264 V268P264-T266 PolarHBondContact O-N 3.27Å; T266-V268 PolarHBondContact O-N 3.19Å
267V41.1Very low43.9Very low122 Ų122139.9 Ų139.974%0.73974%0.742SS**  trans-47.692159.4177.20000106.2E265 S269E265-V267 PolarHBondContact O-N 3.33Å; V267-S269 PolarHBondContact O-N 3.03Å
268V43.2Very low45.2Very low120 Ų120138.7 Ų138.773%0.72773%0.733SS**  trans-64.395.8162.1177.40000102.8T266 R270T266-V268 PolarHBondContact O-N 3.19Å; V268-R270 PolarHBondContact O-N 2.81Å
269S44.4Very low46.5Very low57 Ų57137.4 Ų137.440%0.39972%0.723SS.*  trans-47121168.648.40000106.2V267 E271V267-S269 PolarHBondContact O-N 3.03Å; S269-E271 WeakPolarHBondContact CB-OE1 3.36Å; S269-E271 PolarHBondContact O-N 2.82Å; S269-E271 VanDerWaalsContact OG-CD 3.31Å; S269-E271 VanDerWaalsContact OG-CG 3.26Å; S269-E271 WeakPolarHBondContact OG-CG 3.33Å; S269-E271 PolarHBondContact OG-OE1 3.07Å
270R50Low48.5Very low240 Ų240138.6 Ų138.691%0.90672%0.716SS**  trans-69.336.9170.9-77.5-179.1161.9-159.7-2.1110.9V268 F272V268-R270 PolarHBondContact O-N 2.81Å; R270-F272 PolarHBondContact O-N 3.44Å
271E51.2Low50.3Low137 Ų137133.7 Ų133.764%0.6469%0.687SS**  trans-78.899.2164.352.6-160.3148.400106.8S269S269-E271 WeakPolarHBondContact CB-OE1 3.36Å; S269-E271 PolarHBondContact O-N 2.82Å; S269-E271 VanDerWaalsContact OG-CD 3.31Å; S269-E271 VanDerWaalsContact OG-CG 3.26Å; S269-E271 WeakPolarHBondContact OG-CG 3.33Å; S269-E271 PolarHBondContact OG-OE1 3.07Å
272F44.4Very low52.8Low183 Ų183130.3 Ų130.380%0.80367%0.674SS**  trans-35.2136.3172.8-68.2-96.2000111.2R270 R274R270-F272 PolarHBondContact O-N 3.44Å; F272-R274 PolarHBondContact O-N 2.85Å
273P45.9Very low55.4Low117 Ų117125.2 Ų125.276%0.7664%0.641SS**  trans-58.9105.9178.323.3-31.4000108.8W275P273-W275 PolarHBondContact O-N 2.8Å
274R50.1Low58Low220 Ų220121.9 Ų121.983%0.8362%0.619SS**  trans-70.2115.3165.6-67.1-171.8-149.7154.89.5105.6F272 V276F272-R274 PolarHBondContact O-N 2.85Å; R274-V276 PolarHBondContact O-N 2.86Å
275W53.8Low60.6Low207 Ų207118.6 Ų118.678%0.78460%0.595SS**  trans-56.9115.4167.8-71.196.1000108P273 H277P273-W275 PolarHBondContact O-N 2.8Å; W275-H277 PolarHBondContact O-N 3.35Å; W275-H277 VanDerWaalsContact O-N 3.08Å
276V52.1Low63Low138 Ų138111.9 Ų111.984%0.83657%0.568SS**  trans-74.597.9169.8-177.90000105.1R274 S278R274-V276 PolarHBondContact O-N 2.86Å; V276-S278 PolarHBondContact O-N 2.78Å
277H58.7Low65.2Low78 Ų78110.9 Ų110.936%0.36156%0.555SS.*  trans-58.7126.8170.4-67.7-83000107.8W275 T279 N308W275-H277 PolarHBondContact O-N 3.35Å; W275-H277 VanDerWaalsContact O-N 3.08Å; H277-T279 PolarHBondContact O-N 3.04Å; H277-N308 HydrophobicContact CB-CB 4.44Å; H277-N308 WeakPolarHBondContact CB-ND2 3.42Å
278S56.9Low67.7Low82 Ų82108.1 Ų108.157%0.57354%0.539SS*.  trans-53.2131.5171.9-174.50000108.6V276 D280V276-S278 PolarHBondContact O-N 2.78Å; S278-D280 PolarHBondContact O-N 2.8Å; S278-D280 PolarHBondContact OG-N 2.89Å; S278-D280 PolarHBondContact OG-O 2.99Å
279T65.2Low70.2Confident104 Ų104107.7 Ų107.764%0.63853%0.529SS*.SBendtrans-64.2-25.1173.349.10000111.4H277 P281H277-T279 PolarHBondContact O-N 3.04Å; T279-P281 WeakPolarHBondContact O-CD 3.41Å
280D72.2Confident72.6Confident122 Ų122108.9 Ų108.965%0.65253%0.53SS*.SBendtrans-110.4101.4-178.6-55.4-21.1000108.9S278S278-D280 PolarHBondContact O-N 2.8Å; S278-D280 PolarHBondContact OG-N 2.89Å; S278-D280 PolarHBondContact OG-O 2.99Å
281P82.7Confident74.6Confident36 Ų36102.5 Ų102.523%0.23452%0.52CS..PPolyproline II helixtrans-74139.9175.827.8-31.9000110.9T279 Y283T279-P281 WeakPolarHBondContact O-CD 3.41Å; P281-Y283 HydrophobicContact CB-CE2 4.3Å; P281-Y283 HydrophobicContact CG-CE2 3.64Å; P281-Y283 WeakPolarHBondContact CG-OH 3.46Å; P281-Y283 WeakPolarHBondContact O-CD2 3.44Å
282L89.8Confident76.6Confident109 Ų109100.5 Ų100.557%0.57151%0.51SS*.PPolyproline II helixtrans-84.3123.4170.4-64.4175.6000109.5I189 Y284 W305I189-L282 HydrophobicContact CD1-CB 4.44Å; I189-L282 HydrophobicContact CD1-CD2 4.34Å; L282-Y284 HydrophobicContact CB-CE2 4.39Å; L282-W305 WeakPolarHBondContact O-CB 3.38Å
283Y92.5Very high78.7Confident19 Ų1997.5 Ų97.58%0.07551%0.512CS..EExtended strand (participates in β ladder)trans-100.2125.1178.8-66.2-82.4000111.2R181 I186 V188 I189 P281 L303 W305 F317R181-Y283 PolarHBondContact NH1-OH 2.84Å; I186-Y283 HydrophobicContact CD1-CE1 4.27Å; I186-Y283 HydrophobicContact CG2-CD1 3.89Å; I186-Y283 HydrophobicContact CG2-CD2 3.22Å; I186-Y283 HydrophobicContact CG2-CE1 4.32Å; I186-Y283 HydrophobicContact CG2-CE2 3.69Å; I186-Y283 HydrophobicContact CG2-CG 3.32Å; V188-Y283 WeakPolarHBondContact CA-O 3.41Å; I189-Y283 PolarHBondContact N-O 2.98Å; P281-Y283 HydrophobicContact CB-CE2 4.3Å; P281-Y283 HydrophobicContact CG-CE2 3.64Å; P281-Y283 WeakPolarHBondContact CG-OH 3.46Å; P281-Y283 WeakPolarHBondContact O-CD2 3.44Å; Y283-L303 HydrophobicContact CD1-CD1 3.97Å; Y283-L303 HydrophobicContact CD1-CD2 3.97Å; Y283-L303 HydrophobicContact CD1-CG 3.99Å; Y283-L303 HydrophobicContact CE1-CD2 4.32Å; Y283-L303 HydrophobicContact CG-CD1 4.29Å; Y283-W305 HydrophobicContact CD1-CB 3.66Å; Y283-W305 HydrophobicContact CD1-CD2 4.07Å; Y283-W305 HydrophobicContact CD1-CE3 4.08Å; Y283-W305 AromaticContact CD1-CG 3.92Å; Y283-W305 HydrophobicContact CD1-CG 3.92Å; Y283-W305 HydrophobicContact CE1-CB 3.86Å; Y283-W305 AromaticContact CE1-CD2 3.71Å; Y283-W305 HydrophobicContact CE1-CD2 3.71Å; Y283-W305 HydrophobicContact CE1-CE3 4.01Å; Y283-W305 AromaticContact CE1-CG 3.63Å; Y283-W305 HydrophobicContact CE1-CG 3.63Å; Y283-W305 HydrophobicContact CG-CB 4.4Å; Y283-F317 HydrophobicContact CE1-CE1 4.22Å
284Y93.9Very high80.6Confident77 Ų7795.9 Ų95.930%0.30250%0.497SS..EExtended strand (participates in β ladder)trans-102.1127.8174.8-61.1-76.6000109.9I189 Y191 L282 L303 T304I189-Y284 HydrophobicContact CB-CD1 3.85Å; I189-Y284 HydrophobicContact CB-CE1 4.18Å; I189-Y284 HydrophobicContact CD1-CD1 4.24Å; I189-Y284 HydrophobicContact CD1-CE1 3.79Å; I189-Y284 HydrophobicContact CG2-CD1 4.04Å; I189-Y284 HydrophobicContact CG2-CE1 4.17Å; I189-Y284 WeakPolarHBondContact O-CA 3.34Å; Y191-Y284 HydrophobicContact CD2-CD1 4.13Å; Y191-Y284 AromaticContact CE2-CD1 3.18Å; Y191-Y284 HydrophobicContact CE2-CD1 3.18Å; Y191-Y284 AromaticContact CE2-CE1 3.84Å; Y191-Y284 HydrophobicContact CE2-CE1 3.84Å; Y191-Y284 AromaticContact CE2-CG 3.8Å; Y191-Y284 HydrophobicContact CE2-CG 3.8Å; Y191-Y284 AromaticContact CZ-CD1 3.72Å; Y191-Y284 AromaticContact CZ-CE1 3.89Å; Y191-Y284 VanDerWaalsContact OH-CE1 3.24Å; Y191-Y284 WeakPolarHBondContact OH-CE1 3.36Å; L282-Y284 HydrophobicContact CB-CE2 4.39Å; Y284-L303 CarbonylContact O-C 3.53Å; Y284-L303 WeakPolarHBondContact O-CA 3.48Å; Y284-T304 PolarHBondContact N-O 2.83Å; Y284-T304 PolarHBondContact O-N 2.85Å
285F94.7Very high82.3Confident29 Ų2987.3 Ų87.313%0.12748%0.477CS..EExtended strand (participates in β ladder)trans-115.1131.5-179.2178.5-93.3000110.8F179 V188 I189 S190 Y191 H287 A301 R302F179-F285 HydrophobicContact CD2-CD2 4.11Å; F179-F285 HydrophobicContact CD2-CE2 4.05Å; F179-F285 HydrophobicContact CE2-CD2 4.17Å; F179-F285 AromaticContact CE2-CE2 3.96Å; F179-F285 HydrophobicContact CE2-CE2 3.96Å; V188-F285 HydrophobicContact CB-CB 3.56Å; V188-F285 HydrophobicContact CB-CG 4.47Å; V188-F285 HydrophobicContact CG1-CB 3.93Å; V188-F285 HydrophobicContact CG2-CB 3.67Å; V188-F285 HydrophobicContact CG2-CG 4.14Å; I189-F285 PolarHBondContact O-N 2.9Å; S190-F285 WeakPolarHBondContact CA-O 3.32Å; Y191-F285 PolarHBondContact N-O 2.83Å; F285-H287 HydrophobicContact CE1-CB 4.09Å; F285-H287 HydrophobicContact CZ-CB 4.03Å; F285-A301 HydrophobicContact CE2-CB 3.87Å; F285-A301 HydrophobicContact CZ-CB 4.13Å; F285-R302 WeakPolarHBondContact CA-O 3.26Å
286S94Very high84.1Confident40 Ų4077.7 Ų77.728%0.2844%0.441SS..EExtended strand (participates in β ladder)trans-137.8150.3167.464.60000109.5A301 R302S286-A301 CarbonylContact O-C 3.57Å; S286-R302 PolarHBondContact N-O 2.88Å; S286-R302 PolarHBondContact O-N 3.18Å
287H92.4Very high86.2Confident91 Ų9172.3 Ų72.342%0.42141%0.409SS..EExtended strand (participates in β ladder)trans-138.9148.4174.969.4170.5000111.1F285 Q300 A301F285-H287 HydrophobicContact CE1-CB 4.09Å; F285-H287 HydrophobicContact CZ-CB 4.03Å; H287-Q300 CarbonylContact C-O 3.6Å; H287-Q300 VanDerWaalsContact CA-O 3.26Å; H287-Q300 WeakPolarHBondContact CA-O 3.46Å; H287-A301 HydrophobicContact CB-CB 4.27Å
288T94.6Very high87.9Confident64 Ų6469.6 Ų69.639%0.39340%0.397SS..EExtended strand (participates in β ladder)trans-126.1143175.957.30000109.6V299 Q300T288-V299 WeakPolarHBondContact O-CA 3.37Å; T288-Q300 PolarHBondContact N-O 3.21Å; T288-Q300 PolarHBondContact O-N 3.02Å
289Q94.7Very high89.8Confident111 Ų11165.7 Ų65.752%0.51937%0.37SS..EExtended strand (participates in β ladder)trans-112.7118.9178.9-60.2-175.3-2.700108.2V297 V299Q289-V297 HydrophobicContact CB-CG1 3.92Å; Q289-V299 HydrophobicContact CG-CG2 4.32Å
290I93.9Very high91.3Very high82 Ų8263 Ų6342%0.42135%0.35SS..EExtended strand (participates in β ladder)trans-110.3107.8-178.5-58.7162.5000106.9V298I290-V298 HydrophobicContact CB-CB 4.34Å; I290-V298 PolarHBondContact N-O 2.95Å; I290-V298 PolarHBondContact O-N 2.99Å
291P93.6Very high92.4Very high107 Ų10757.2 Ų57.270%0.69532%0.319SS*.EExtended strand (participates in β ladder)trans-70.1138178.329.1-33.1000110.2
292Q92.4Very high93.1Very high94 Ų9458.4 Ų58.444%0.43932%0.319SS..  trans-104155.2-179.8-169.266.751.200110.4D294 G295 S296Q292-D294 VanDerWaalsContact CB-OD1 3.28Å; Q292-D294 WeakPolarHBondContact CB-OD1 3.32Å; Q292-D294 VanDerWaalsContact CG-OD1 3.31Å; Q292-D294 WeakPolarHBondContact CG-OD1 3.38Å; Q292-D294 PolarHBondContact O-N 2.81Å; Q292-D294 VanDerWaalsContact O-N 3.16Å; Q292-G295 PolarHBondContact O-N 2.89Å; Q292-S296 WeakPolarHBondContact CB-O 3.38Å; Q292-S296 PolarHBondContact N-O 3.23Å
293S88.6Confident93.3Very high120 Ų12053.2 Ų53.284%0.83929%0.292SS*.THydrogen-bonded Turntrans-60.5-23.2-177.757.60000114.9G295S293-G295 VanDerWaalsContact C-N 3.25Å
294D85.6Confident93.4Very high84 Ų8454 Ų5445%0.44930%0.299SS..THydrogen-bonded Turntrans-82.2-1.2177.461.40.2000113.1I104 Q292 S296I104-D294 VanDerWaalsContact CG2-O 3.24Å; I104-D294 WeakPolarHBondContact CG2-O 3.46Å; Q292-D294 VanDerWaalsContact CB-OD1 3.28Å; Q292-D294 WeakPolarHBondContact CB-OD1 3.32Å; Q292-D294 VanDerWaalsContact CG-OD1 3.31Å; Q292-D294 WeakPolarHBondContact CG-OD1 3.38Å; Q292-D294 PolarHBondContact O-N 2.81Å; Q292-D294 VanDerWaalsContact O-N 3.16Å; D294-S296 VanDerWaalsContact C-N 3.31Å; D294-S296 VanDerWaalsContact CG-OG 3.26Å; D294-S296 VanDerWaalsContact OD1-CB 3.24Å; D294-S296 WeakPolarHBondContact OD1-CB 3.45Å; D294-S296 PolarHBondContact OD1-N 2.66Å; D294-S296 PolarHBondContact OD1-OG 3.05Å; D294-S296 PolarHBondContact OD2-OG 3.21Å
295G85.3Confident93.4Very high40 Ų4050.4 Ų50.441%0.41229%0.285SS..SBendtrans81.86-175.200000114.1K172 Q292 S293K172-G295 WeakPolarHBondContact CD-O 3.48Å; Q292-G295 PolarHBondContact O-N 2.89Å; S293-G295 VanDerWaalsContact C-N 3.25Å
296S93.1Very high93.2Very high4 Ų452.1 Ų52.13%0.02830%0.298CS..  trans-83.2168.7166.376.90000111.2Q292 D294Q292-S296 WeakPolarHBondContact CB-O 3.38Å; Q292-S296 PolarHBondContact N-O 3.23Å; D294-S296 VanDerWaalsContact C-N 3.31Å; D294-S296 VanDerWaalsContact CG-OG 3.26Å; D294-S296 VanDerWaalsContact OD1-CB 3.24Å; D294-S296 WeakPolarHBondContact OD1-CB 3.45Å; D294-S296 PolarHBondContact OD1-N 2.66Å; D294-S296 PolarHBondContact OD1-OG 3.05Å; D294-S296 PolarHBondContact OD2-OG 3.21Å
297V94.4Very high93Very high26 Ų2650.4 Ų50.416%0.15829%0.285CS..EExtended strand (participates in β ladder)trans-125.6137.5179.1-177.60000109.4G171 A174 Q289 V299G171-V297 PolarHBondContact N-O 3.46Å; G171-V297 PolarHBondContact O-N 2.84Å; A174-V297 HydrophobicContact CB-CB 4.26Å; A174-V297 HydrophobicContact CB-CG1 4.05Å; Q289-V297 HydrophobicContact CB-CG1 3.92Å; V297-V299 HydrophobicContact CG1-CG2 4.19Å
298V96.3Very high92.8Very high20 Ų2046.8 Ų46.812%0.12127%0.269CS..EExtended strand (participates in β ladder)trans-97.3123.9166.9179.10000108.3T167 A168 K169 I290T167-V298 HydrophobicContact CG2-CG1 3.83Å; A168-V298 CarbonylContact O-C 3.57Å; A168-V298 WeakPolarHBondContact O-CA 3Å; K169-V298 HydrophobicContact CB-CG2 4.36Å; K169-V298 HydrophobicContact CG-CG1 4.01Å; K169-V298 HydrophobicContact CG-CG2 4.13Å; I290-V298 HydrophobicContact CB-CB 4.34Å; I290-V298 PolarHBondContact N-O 2.95Å; I290-V298 PolarHBondContact O-N 2.99Å
299V96.4Very high92.5Very high0 Ų044.9 Ų44.90%026%0.258CS..EExtended strand (participates in β ladder)trans-105.6121.6176.71790000108.7T167 A168 A174 P175 V177 T288 Q289 V297T167-V299 WeakPolarHBondContact CA-O 3.41Å; A168-V299 PolarHBondContact N-O 3Å; A168-V299 PolarHBondContact O-N 2.83Å; A174-V299 HydrophobicContact CB-CG2 4.14Å; P175-V299 HydrophobicContact CG-CB 4.26Å; P175-V299 HydrophobicContact CG-CG2 3.83Å; V177-V299 HydrophobicContact CG2-CB 4.48Å; V177-V299 HydrophobicContact CG2-CG1 3.82Å; T288-V299 WeakPolarHBondContact O-CA 3.37Å; Q289-V299 HydrophobicContact CG-CG2 4.32Å; V297-V299 HydrophobicContact CG1-CG2 4.19Å
300Q96.3Very high92Very high48 Ų4847.6 Ų47.622%0.22427%0.271CS..EExtended strand (participates in β ladder)trans-110.3108.1174.4-172.9-179.945.900108.8V165 C166 H287 T288V165-Q300 HydrophobicContact CG1-CG 3.51Å; C166-Q300 CarbonylContact O-C 3.51Å; C166-Q300 WeakPolarHBondContact O-CA 3.47Å; H287-Q300 CarbonylContact C-O 3.6Å; H287-Q300 VanDerWaalsContact CA-O 3.26Å; H287-Q300 WeakPolarHBondContact CA-O 3.46Å; T288-Q300 PolarHBondContact N-O 3.21Å; T288-Q300 PolarHBondContact O-N 3.02Å
301A95.7Very high91.6Very high0 Ų047.7 Ų47.70%027%0.272CS..EExtended strand (participates in β ladder)trans-101.4135.3177.600000110.5V165 C166 V177 F179 F285 S286 H287V165-A301 CarbonylContact C-O 3.54Å; V165-A301 WeakPolarHBondContact CA-O 3.34Å; C166-A301 PolarHBondContact N-O 3.41Å; C166-A301 PolarHBondContact O-N 3.5Å; V177-A301 HydrophobicContact CB-CB 3.8Å; V177-A301 HydrophobicContact CG1-CB 3.57Å; V177-A301 HydrophobicContact CG2-CB 4.3Å; F179-A301 HydrophobicContact CE2-CB 3.95Å; F179-A301 HydrophobicContact CZ-CB 4.39Å; F285-A301 HydrophobicContact CE2-CB 3.87Å; F285-A301 HydrophobicContact CZ-CB 4.13Å; S286-A301 CarbonylContact O-C 3.57Å; H287-A301 HydrophobicContact CB-CB 4.27Å
302R96Very high91.4Very high61 Ų6142.8 Ų42.823%0.2324%0.24CC..EExtended strand (participates in β ladder)trans-122.1127.1-175.3-61.4174.4175.3-110.61.1109.2E148 T163 L164 V165 F285 S286E148-R302 IonicContact OE1-CZ 3.81Å; E148-R302 IonicContact OE1-NH1 2.71Å; E148-R302 PolarHBondContact OE1-NH1 2.88Å; E148-R302 IonicContact OE2-NH1 3.45Å; E148-R302 PolarHBondContact OE2-NH1 3.06Å; T163-R302 HydrophobicContact CG2-CB 4.15Å; L164-R302 CarbonylContact O-C 3.59Å; L164-R302 WeakPolarHBondContact O-CA 3.3Å; V165-R302 HydrophobicContact CG1-CG 4.44Å; V165-R302 HydrophobicContact CG2-CG 4.27Å; F285-R302 WeakPolarHBondContact CA-O 3.26Å; S286-R302 PolarHBondContact N-O 2.88Å; S286-R302 PolarHBondContact O-N 3.18Å
303L95.6Very high91.3Very high0 Ų040.4 Ų40.40%023%0.23CC..EExtended strand (participates in β ladder)trans-117.1111.6175.9-176.676.4000108.5T163 L164 F179 I186 V188 Y283 Y284 W305 F317T163-L303 CarbonylContact C-O 3.51Å; T163-L303 VanDerWaalsContact CA-O 3.25Å; T163-L303 WeakPolarHBondContact CA-O 3.31Å; L164-L303 HydrophobicContact CB-CB 4.43Å; L164-L303 PolarHBondContact N-O 2.82Å; L164-L303 PolarHBondContact O-N 2.93Å; F179-L303 HydrophobicContact CB-CD2 3.86Å; F179-L303 HydrophobicContact CD1-CB 4.26Å; F179-L303 HydrophobicContact CD1-CD2 4.03Å; F179-L303 HydrophobicContact CD2-CB 3.84Å; F179-L303 HydrophobicContact CD2-CD1 4.31Å; F179-L303 HydrophobicContact CD2-CD2 4.36Å; F179-L303 HydrophobicContact CD2-CG 4.4Å; F179-L303 HydrophobicContact CE1-CB 4.19Å; F179-L303 HydrophobicContact CE2-CB 3.77Å; F179-L303 HydrophobicContact CG-CB 4.08Å; F179-L303 HydrophobicContact CG-CD2 3.84Å; F179-L303 HydrophobicContact CG-CG 4.37Å; F179-L303 HydrophobicContact CZ-CB 3.94Å; I186-L303 HydrophobicContact CD1-CD2 3.71Å; I186-L303 HydrophobicContact CG2-CD1 4.49Å; V188-L303 HydrophobicContact CG1-CD1 3.72Å; Y283-L303 HydrophobicContact CD1-CD1 3.97Å; Y283-L303 HydrophobicContact CD1-CD2 3.97Å; Y283-L303 HydrophobicContact CD1-CG 3.99Å; Y283-L303 HydrophobicContact CE1-CD2 4.32Å; Y283-L303 HydrophobicContact CG-CD1 4.29Å; Y284-L303 CarbonylContact O-C 3.53Å; Y284-L303 WeakPolarHBondContact O-CA 3.48Å; L303-W305 HydrophobicContact CD2-CE3 4.15Å; L303-W305 HydrophobicContact CD2-CZ3 3.92Å; L303-W305 HydrophobicContact CG-CE3 4.11Å; L303-W305 HydrophobicContact CG-CZ3 4.19Å; L303-F317 HydrophobicContact CD2-CD1 4.37Å; L303-F317 HydrophobicContact CD2-CE1 4.35Å
304T94.5Very high91.4Very high37 Ų3738.6 Ų38.623%0.22721%0.211CC..EExtended strand (participates in β ladder)trans-113.3131.1-179-56.60000110.6N161 F162 T163 Y284N161-T304 HydrophobicContact CB-CG2 4.27Å; F162-T304 WeakPolarHBondContact O-CA 3.39Å; T163-T304 WeakPolarHBondContact CG2-OG1 3.49Å; T163-T304 WeakPolarHBondContact OG1-CG2 3.12Å; T163-T304 PolarHBondContact OG1-OG1 2.78Å; Y284-T304 PolarHBondContact N-O 2.83Å; Y284-T304 PolarHBondContact O-N 2.85Å
305W93Very high91.6Very high1 Ų134.9 Ų34.90%0.00419%0.192CC..EExtended strand (participates in β ladder)trans-146.9167.5173.172.6102.8000111.1N161 F162 L164 L282 Y283 L303 L307 D312 F317 L336N161-W305 CarbonylContact C-O 3.55Å; N161-W305 WeakPolarHBondContact CA-O 3.44Å; F162-W305 AromaticContact CD1-CH2 3.46Å; F162-W305 HydrophobicContact CD1-CH2 3.46Å; F162-W305 VanDerWaalsContact CD1-CH2 3.46Å; F162-W305 AromaticContact CD1-CZ2 3.67Å; F162-W305 HydrophobicContact CD1-CZ2 3.67Å; F162-W305 AromaticContact CD1-CZ3 4Å; F162-W305 HydrophobicContact CD1-CZ3 4Å; F162-W305 AromaticContact CE1-CH2 3.91Å; F162-W305 HydrophobicContact CE1-CH2 3.91Å; F162-W305 HydrophobicContact CE1-CZ2 4.32Å; F162-W305 PolarHBondContact N-O 2.81Å; F162-W305 PolarHBondContact O-N 3.04Å; L164-W305 HydrophobicContact CB-CZ3 4.2Å; L164-W305 HydrophobicContact CD1-CH2 3.52Å; L164-W305 HydrophobicContact CD1-CZ3 3.81Å; L164-W305 HydrophobicContact CG-CH2 3.61Å; L164-W305 HydrophobicContact CG-CZ3 3.71Å; L282-W305 WeakPolarHBondContact O-CB 3.38Å; Y283-W305 HydrophobicContact CD1-CB 3.66Å; Y283-W305 HydrophobicContact CD1-CD2 4.07Å; Y283-W305 HydrophobicContact CD1-CE3 4.08Å; Y283-W305 AromaticContact CD1-CG 3.92Å; Y283-W305 HydrophobicContact CD1-CG 3.92Å; Y283-W305 HydrophobicContact CE1-CB 3.86Å; Y283-W305 AromaticContact CE1-CD2 3.71Å; Y283-W305 HydrophobicContact CE1-CD2 3.71Å; Y283-W305 HydrophobicContact CE1-CE3 4.01Å; Y283-W305 AromaticContact CE1-CG 3.63Å; Y283-W305 HydrophobicContact CE1-CG 3.63Å; Y283-W305 HydrophobicContact CG-CB 4.4Å; L303-W305 HydrophobicContact CD2-CE3 4.15Å; L303-W305 HydrophobicContact CD2-CZ3 3.92Å; L303-W305 HydrophobicContact CG-CE3 4.11Å; L303-W305 HydrophobicContact CG-CZ3 4.19Å; W305-L307 HydrophobicContact CZ2-CD1 4.1Å; W305-L307 PolarHBondContact O-N 3.48Å; W305-D312 PolarHBondContact NE1-OD2 3.28Å; W305-D312 VanDerWaalsContact NE1-OD2 3.13Å; W305-F317 HydrophobicContact CH2-CD1 4.29Å; W305-F317 AromaticContact CH2-CE1 3.82Å; W305-F317 HydrophobicContact CH2-CE1 3.82Å; W305-F317 HydrophobicContact CH2-CE2 4.31Å; W305-F317 AromaticContact CH2-CZ 3.82Å; W305-F317 HydrophobicContact CH2-CZ 3.82Å; W305-F317 AromaticContact CZ2-CE1 3.99Å; W305-F317 HydrophobicContact CZ2-CE1 3.99Å; W305-F317 HydrophobicContact CZ2-CE2 4.05Å; W305-F317 AromaticContact CZ2-CZ 3.55Å; W305-F317 HydrophobicContact CZ2-CZ 3.55Å; W305-F317 HydrophobicContact CZ3-CE1 4.33Å; W305-L336 HydrophobicContact CH2-CD1 4.33Å; W305-L336 HydrophobicContact CZ2-CD1 3.83Å
306T90.8Very high92Very high65 Ų6535.3 Ų35.340%0.39918%0.184SC..EExtended strand (participates in β ladder)trans-80.7111.3173-55.90000109.5A159 N161A159-T306 HydrophobicContact CB-CG2 3.56Å; N161-T306 PolarHBondContact OD1-OG1 3.07Å
307L89.1Confident92.1Very high3 Ų335.2 Ų35.22%0.01618%0.183CC..  trans-67.7131.8-174.7-168.774.8000111.1Q160 F162 W305 D312 L336 P421 L422Q160-L307 WeakPolarHBondContact O-CB 3.49Å; Q160-L307 PolarHBondContact O-N 2.83Å; F162-L307 HydrophobicContact CB-CB 3.89Å; F162-L307 HydrophobicContact CB-CD1 3.98Å; F162-L307 HydrophobicContact CB-CD2 4.34Å; F162-L307 HydrophobicContact CB-CG 4.31Å; F162-L307 HydrophobicContact CD1-CD1 4.26Å; F162-L307 HydrophobicContact CG-CD1 4.12Å; W305-L307 HydrophobicContact CZ2-CD1 4.1Å; W305-L307 PolarHBondContact O-N 3.48Å; L307-D312 HydrophobicContact CD1-CB 3.99Å; L307-L336 HydrophobicContact CD1-CD1 4.23Å; L307-P421 HydrophobicContact CD2-CB 3.5Å; L307-L422 HydrophobicContact CD1-CD2 3.93Å; L307-L422 HydrophobicContact CD2-CD2 3.86Å; L307-L422 HydrophobicContact CD2-CG 4.12Å; L307-L422 HydrophobicContact CG-CD2 4.03Å
308N88.9Confident92.2Very high15 Ų1534.1 Ų34.18%0.0818%0.177CC..  trans-114.5101.8171.6-177.7-11.8000109.9H277 Q310 L311 D312H277-N308 HydrophobicContact CB-CB 4.44Å; H277-N308 WeakPolarHBondContact CB-ND2 3.42Å; N308-Q310 PolarHBondContact O-N 2.97Å; N308-Q310 PolarHBondContact OD1-N 2.89Å; N308-L311 HydrophobicContact CB-CB 4.32Å; N308-L311 VanDerWaalsContact ND2-CD1 3.27Å; N308-L311 WeakPolarHBondContact ND2-CD1 3.39Å; N308-L311 WeakPolarHBondContact ND2-CG 3.45Å; N308-L311 PolarHBondContact O-N 3.36Å; N308-D312 PolarHBondContact N-OD2 2.91Å; N308-D312 VanDerWaalsContact O-CB 3.31Å; N308-D312 WeakPolarHBondContact O-CB 3.37Å; N308-D312 PolarHBondContact O-N 2.83Å
309P88Confident92.2Very high25 Ų2533.2 Ų33.216%0.16217%0.171CC..THydrogen-bonded Turntrans-52.3-26.4179.8-32.438.6000116.1F154 N313 L422F154-P309 HydrophobicContact CE2-CB 4.42Å; F154-P309 HydrophobicContact CE2-CG 4.06Å; P309-N313 WeakPolarHBondContact O-CB 3.42Å; P309-L422 WeakPolarHBondContact CB-O 3.42Å
310Q84.1Confident92.2Very high168 Ų16833.9 Ų33.979%0.78518%0.175SC*.THydrogen-bonded Turntrans-82-29.7-179.2-60.4-59.5-65.200113N308N308-Q310 PolarHBondContact O-N 2.97Å; N308-Q310 PolarHBondContact OD1-N 2.89Å
311L86.5Confident92.2Very high84 Ų8431.6 Ų31.644%0.4416%0.164SC..THydrogen-bonded Turntrans-102.4-30.2-177.3-63.2-179.7000112.7R181 N308R181-L311 PolarHBondContact NH2-O 2.79Å; N308-L311 HydrophobicContact CB-CB 4.32Å; N308-L311 VanDerWaalsContact ND2-CD1 3.27Å; N308-L311 WeakPolarHBondContact ND2-CD1 3.39Å; N308-L311 WeakPolarHBondContact ND2-CG 3.45Å; N308-L311 PolarHBondContact O-N 3.36Å
312D89.9Confident92.2Very high3 Ų336.6 Ų36.62%0.01619%0.185CC..SBendtrans-94.7-9.2-174.1-61.2-26.6000112.4R181 W305 L307 N308 A315 L336 L422R181-D312 IonicContact CZ-OD1 3.26Å; R181-D312 VanDerWaalsContact CZ-OD1 3.26Å; R181-D312 IonicContact NH1-OD1 3.49Å; R181-D312 PolarHBondContact NH1-OD1 2.89Å; R181-D312 IonicContact NH2-OD1 2.83Å; R181-D312 PolarHBondContact NH2-OD1 3.04Å; W305-D312 PolarHBondContact NE1-OD2 3.28Å; W305-D312 VanDerWaalsContact NE1-OD2 3.13Å; L307-D312 HydrophobicContact CD1-CB 3.99Å; N308-D312 PolarHBondContact N-OD2 2.91Å; N308-D312 VanDerWaalsContact O-CB 3.31Å; N308-D312 WeakPolarHBondContact O-CB 3.37Å; N308-D312 PolarHBondContact O-N 2.83Å; D312-A315 VanDerWaalsContact O-CB 3.31Å; D312-A315 WeakPolarHBondContact O-CB 3.33Å; D312-A315 PolarHBondContact O-N 2.89Å; D312-L336 HydrophobicContact CB-CD1 4.26Å; D312-L336 VanDerWaalsContact O-CB 3.29Å; D312-L336 WeakPolarHBondContact O-CB 3.36Å; D312-L422 HydrophobicContact CB-CD2 4.2Å
313N89.6Confident92.2Very high45 Ų4534.2 Ų34.224%0.24118%0.177CC..THydrogen-bonded Turntrans-72.5131.5174.217677.2000110.8P309 A315 S338P309-N313 WeakPolarHBondContact O-CB 3.42Å; N313-A315 PolarHBondContact O-N 3.4Å; N313-S338 WeakPolarHBondContact OD1-CB 3.14Å; N313-S338 PolarHBondContact OD1-N 3.13Å; N313-S338 PolarHBondContact OD1-OG 3.34Å
314D89.5Confident92.2Very high82 Ų8238.6 Ų38.644%0.43921%0.206SC..THydrogen-bonded Turntrans64.416-171.9-57.5-53.4000113.6L336 K340D314-L336 WeakPolarHBondContact CA-O 3.48Å; D314-L336 PolarHBondContact N-O 3.4Å; D314-K340 IonicContact OD1-NZ 3.04Å; D314-K340 PolarHBondContact OD1-NZ 3.36Å; D314-K340 IonicContact OD2-NZ 3.01Å; D314-K340 PolarHBondContact OD2-NZ 3.32Å
315A91.3Very high92.1Very high5 Ų537.7 Ų37.74%0.04120%0.202CC..  trans-80.4138.317600000112.3D312 N313 F317 T335 L336D312-A315 VanDerWaalsContact O-CB 3.31Å; D312-A315 WeakPolarHBondContact O-CB 3.33Å; D312-A315 PolarHBondContact O-N 2.89Å; N313-A315 PolarHBondContact O-N 3.4Å; A315-F317 HydrophobicContact CB-CE2 4.04Å; A315-T335 WeakPolarHBondContact O-CA 3.46Å; A315-L336 PolarHBondContact O-N 3.45Å
316L93.6Very high92.1Very high49 Ų4939.9 Ų39.926%0.25721%0.213SC..EExtended strand (participates in β ladder)trans-93.9119.3-178.6-178.567.2000110.6R181 D182 E333 T335R181-L316 CarbonylContact C-O 3.54Å; R181-L316 WeakPolarHBondContact CA-O 3.38Å; D182-L316 PolarHBondContact N-O 3.26Å; D182-L316 PolarHBondContact OD1-N 2.93Å; L316-E333 HydrophobicContact CD1-CB 4.02Å; L316-E333 HydrophobicContact CD1-CG 4.42Å; L316-T335 WeakPolarHBondContact CD1-OG1 3.28Å
317F95.1Very high92.2Very high3 Ų342.7 Ų42.71%0.01324%0.235CC..EExtended strand (participates in β ladder)trans-107.2131.9171-74.3-98.1000109.8L164 K180 R181 I186 Y283 L303 W305 A315 E333 V334 L336L164-F317 HydrophobicContact CD1-CB 3.66Å; L164-F317 HydrophobicContact CD1-CD1 3.67Å; L164-F317 HydrophobicContact CD1-CD2 4.36Å; L164-F317 HydrophobicContact CD1-CE1 4.41Å; L164-F317 HydrophobicContact CD1-CG 3.62Å; K180-F317 WeakPolarHBondContact O-CA 3.16Å; R181-F317 HydrophobicContact CB-CE1 4.37Å; R181-F317 HydrophobicContact CG-CZ 4.41Å; I186-F317 HydrophobicContact CD1-CD1 4.04Å; I186-F317 HydrophobicContact CD1-CE1 3.89Å; Y283-F317 HydrophobicContact CE1-CE1 4.22Å; L303-F317 HydrophobicContact CD2-CD1 4.37Å; L303-F317 HydrophobicContact CD2-CE1 4.35Å; W305-F317 HydrophobicContact CH2-CD1 4.29Å; W305-F317 AromaticContact CH2-CE1 3.82Å; W305-F317 HydrophobicContact CH2-CE1 3.82Å; W305-F317 HydrophobicContact CH2-CE2 4.31Å; W305-F317 AromaticContact CH2-CZ 3.82Å; W305-F317 HydrophobicContact CH2-CZ 3.82Å; W305-F317 AromaticContact CZ2-CE1 3.99Å; W305-F317 HydrophobicContact CZ2-CE1 3.99Å; W305-F317 HydrophobicContact CZ2-CE2 4.05Å; W305-F317 AromaticContact CZ2-CZ 3.55Å; W305-F317 HydrophobicContact CZ2-CZ 3.55Å; W305-F317 HydrophobicContact CZ3-CE1 4.33Å; A315-F317 HydrophobicContact CB-CE2 4.04Å; F317-E333 WeakPolarHBondContact O-CA 3.47Å; F317-V334 HydrophobicContact CB-CG2 4.07Å; F317-V334 PolarHBondContact N-O 2.79Å; F317-V334 PolarHBondContact O-N 2.9Å; F317-L336 HydrophobicContact CD2-CD1 3.79Å; F317-L336 HydrophobicContact CD2-CG 3.8Å; F317-L336 HydrophobicContact CE2-CD1 3.4Å; F317-L336 HydrophobicContact CE2-CG 3.92Å; F317-L336 HydrophobicContact CZ-CD1 4.27Å
318S96.1Very high92.4Very high3 Ų349.3 Ų49.32%0.02127%0.268CS..EExtended strand (participates in β ladder)trans-121.9140.4174.9810000111.1F179 K180 Q331 T332F179-S318 CarbonylContact C-O 3.59Å; F179-S318 WeakPolarHBondContact CA-O 3.44Å; K180-S318 WeakPolarHBondContact CB-OG 3.24Å; K180-S318 PolarHBondContact N-O 2.93Å; K180-S318 PolarHBondContact O-N 2.77Å; S318-Q331 VanDerWaalsContact CB-NE2 3.29Å; S318-Q331 PolarHBondContact OG-NE2 3.19Å; S318-T332 CarbonylContact C-O 3.54Å; S318-T332 VanDerWaalsContact CA-O 3.31Å; S318-T332 WeakPolarHBondContact CA-O 3.41Å
319C96.7Very high92.6Very high1 Ų151.7 Ų51.71%0.00728%0.284CS..EExtended strand (participates in β ladder)trans-102.3115.3169.3175.20000108.7V145 C166 V177 Y178 F179 Q331 T332V145-C319 HydrophobicContact CG2-CB 3.47Å; V145-C319 VanDerWaalsContact CG2-CB 3.47Å; C166-C319 HydrophobicContact CB-CB 3.72Å; C166-C319 WeakPolarHBondContact CB-SG 3.31Å; C166-C319 WeakPolarHBondContact SG-CB 3.24Å; C166-C319 CovalentContact SG-SG 2.02Å; C166-C319 PolarHBondContact SG-SG 3.5Å; V177-C319 WeakPolarHBondContact CG1-SG 3.28Å; Y178-C319 CarbonylContact O-C 3.56Å; Y178-C319 WeakPolarHBondContact O-CA 3.46Å; F179-C319 HydrophobicContact CE1-CB 4.38Å; C319-Q331 VanDerWaalsContact O-CA 3.3Å; C319-Q331 WeakPolarHBondContact O-CA 3.34Å; C319-T332 HydrophobicContact CB-CG2 4Å; C319-T332 PolarHBondContact N-O 3.14Å; C319-T332 PolarHBondContact O-N 2.91Å; C319-T332 VanDerWaalsContact O-N 3.08Å
320E96Very high93Very high14 Ų1453 Ų537%0.06529%0.289CS..EExtended strand (participates in β ladder)trans-100.5126.6175.1-172.6-173.9148.700110.1Y178 K180 K322 P329 M330Y178-E320 PolarHBondContact N-O 3.48Å; Y178-E320 PolarHBondContact O-N 3.09Å; K180-E320 WeakPolarHBondContact CE-OE2 3.37Å; K180-E320 IonicContact NZ-OE2 2.7Å; K180-E320 PolarHBondContact NZ-OE2 3.18Å; E320-K322 WeakPolarHBondContact OE1-CE 3.09Å; E320-K322 IonicContact OE1-NZ 2.82Å; E320-P329 HydrophobicContact CG-CB 3.63Å; E320-P329 HydrophobicContact CG-CG 4.14Å; E320-P329 WeakPolarHBondContact OE1-CB 3.43Å; E320-P329 WeakPolarHBondContact OE1-CG 3.33Å; E320-M330 CarbonylContact C-O 3.59Å; E320-M330 WeakPolarHBondContact CA-O 3.35Å
321V97Very high93.5Very high0 Ų049.3 Ų49.30%027%0.272CS..EExtended strand (participates in β ladder)trans-116.6116.9-178.1-175.90000109.6P140 I143 A168 P175 S176 V177 P329 M330P140-V321 HydrophobicContact CG-CG1 4.33Å; I143-V321 HydrophobicContact CG2-CB 4.31Å; I143-V321 HydrophobicContact CG2-CG2 3.85Å; A168-V321 HydrophobicContact CB-CG1 4Å; A168-V321 HydrophobicContact CB-CG2 4.23Å; P175-V321 HydrophobicContact CB-CG1 3.65Å; P175-V321 HydrophobicContact CG-CG1 4.29Å; S176-V321 CarbonylContact O-C 3.57Å; S176-V321 WeakPolarHBondContact O-CA 3.45Å; V177-V321 HydrophobicContact CG1-CG2 4.5Å; V177-V321 HydrophobicContact CG2-CG2 4.26Å; V321-P329 WeakPolarHBondContact O-CA 3.47Å; V321-M330 HydrophobicContact CB-CB 4.47Å; V321-M330 PolarHBondContact N-O 3.45Å; V321-M330 PolarHBondContact O-N 3.37Å
322K95.7Very high93.9Very high104 Ų10447.1 Ų47.145%0.45226%0.262SS..EExtended strand (participates in β ladder)trans-100.8137.1176.9-66.8-173.1-178.5179.60110.7S176 Y178 E320 P329S176-K322 PolarHBondContact N-O 2.87Å; S176-K322 PolarHBondContact O-N 2.64Å; Y178-K322 HydrophobicContact CD2-CD 4.32Å; Y178-K322 HydrophobicContact CD2-CG 4.35Å; Y178-K322 HydrophobicContact CE2-CB 4.32Å; Y178-K322 HydrophobicContact CE2-CD 3.81Å; Y178-K322 HydrophobicContact CE2-CG 4.08Å; E320-K322 WeakPolarHBondContact OE1-CE 3.09Å; E320-K322 IonicContact OE1-NZ 2.82Å; K322-P329 HydrophobicContact CG-CB 4.1Å
323H95.5Very high94.1Very high11 Ų1152 Ų525%0.05129%0.285CS..  trans-149.2140.9177.3-175.7-95.3000110.6S138 P140 K172 P173 P175 A325 L326S138-H323 PolarHBondContact O-CE1 3.18Å; S138-H323 PolarHBondContact O-NE2 3.21Å; P140-H323 HydrophobicContact CG-CB 4.28Å; K172-H323 PolarHBondContact N-NE2 3.16Å; K172-H323 PolarHBondContact O-CE1 3.02Å; K172-H323 PolarHBondContact O-NE2 2.82Å; P173-H323 WeakPolarHBondContact CD-NE2 3.39Å; P173-H323 PolarHBondContact O-CD2 2.85Å; P173-H323 PolarHBondContact O-NE2 2.84Å; P175-H323 HydrophobicContact CB-CB 4.32Å; H323-A325 VanDerWaalsContact C-N 3.25Å; H323-A325 WeakPolarHBondContact CE1-CB 3.4Å; H323-A325 VanDerWaalsContact ND1-CB 3.31Å; H323-A325 WeakPolarHBondContact ND1-CB 3.31Å; H323-A325 PolarHBondContact ND1-N 3.41Å; H323-A325 PolarHBondContact O-N 3.02Å; H323-L326 HydrophobicContact CB-CB 4.48Å; H323-L326 HydrophobicContact CB-CD1 3.86Å; H323-L326 HydrophobicContact CB-CG 4.03Å; H323-L326 WeakPolarHBondContact O-CB 3.41Å; H323-L326 PolarHBondContact O-N 3.45Å
324P94.9Very high94.3Very high93 Ų9350.9 Ų50.960%0.60428%0.279SS*.THydrogen-bonded Turntrans-61.3-27.5-177.4-25.635.2000115.2M137 P173 L326M137-P324 HydrophobicContact SD-CB 3.89Å; P173-P324 HydrophobicContact CG-CG 4.15Å; P324-L326 VanDerWaalsContact C-N 3.26Å; P324-L326 PolarHBondContact O-N 3.04Å
325A93.2Very high94.4Very high18 Ų1850.2 Ų50.215%0.14928%0.278CS..THydrogen-bonded Turntrans-82.73.9175.700000114.2V33 M137 P139 H323V33-A325 HydrophobicContact CG1-CB 4.12Å; V33-A325 HydrophobicContact CG2-CB 3.82Å; M137-A325 HydrophobicContact CB-CB 3.88Å; M137-A325 HydrophobicContact CE-CB 4.2Å; P139-A325 HydrophobicContact CB-CB 4.21Å; H323-A325 VanDerWaalsContact C-N 3.25Å; H323-A325 WeakPolarHBondContact CE1-CB 3.4Å; H323-A325 VanDerWaalsContact ND1-CB 3.31Å; H323-A325 WeakPolarHBondContact ND1-CB 3.31Å; H323-A325 PolarHBondContact ND1-N 3.41Å; H323-A325 PolarHBondContact O-N 3.02Å
326L93.6Very high94.5Very high47 Ų4750 Ų5025%0.24628%0.276CS..  trans-109.6133.9176.5-67.1176.6000109.9P139 P140 H323 P324 M328 M330P139-L326 HydrophobicContact CB-CD2 3.7Å; P139-L326 HydrophobicContact CB-CG 4.18Å; P140-L326 HydrophobicContact CG-CD1 3.86Å; H323-L326 HydrophobicContact CB-CB 4.48Å; H323-L326 HydrophobicContact CB-CD1 3.86Å; H323-L326 HydrophobicContact CB-CG 4.03Å; H323-L326 WeakPolarHBondContact O-CB 3.41Å; H323-L326 PolarHBondContact O-N 3.45Å; P324-L326 VanDerWaalsContact C-N 3.26Å; P324-L326 PolarHBondContact O-N 3.04Å; L326-M328 WeakPolarHBondContact CB-O 3.43Å; L326-M330 HydrophobicContact CD1-CG 3.76Å; L326-M330 HydrophobicContact CD1-SD 4.12Å
327S91.3Very high94.3Very high123 Ų12348.5 Ų48.586%0.8627%0.272SS*.SBendtrans-76-30172.554.50000112.7
328M93.6Very high94.1Very high142 Ų14249.7 Ų49.770%0.728%0.28SS*.SBendtrans-128.9142176.6-61.3-174.1-65.400109.2L326L326-M328 WeakPolarHBondContact CB-O 3.43Å
329P94.7Very high93.8Very high65 Ų6549.9 Ų49.942%0.42228%0.281SS..  trans-62.514317627.2-33.5000110.7E320 V321 K322E320-P329 HydrophobicContact CG-CB 3.63Å; E320-P329 HydrophobicContact CG-CG 4.14Å; E320-P329 WeakPolarHBondContact OE1-CB 3.43Å; E320-P329 WeakPolarHBondContact OE1-CG 3.33Å; V321-P329 WeakPolarHBondContact O-CA 3.47Å; K322-P329 HydrophobicContact CG-CB 4.1Å
330M94.9Very high93.3Very high54 Ų5454 Ų5427%0.26630%0.299SS..EExtended strand (participates in β ladder)trans-79.3140.7169.7-66.4177.975.700108.9P140 I143 E320 V321 L326P140-M330 HydrophobicContact CB-SD 4.36Å; P140-M330 HydrophobicContact CG-SD 3.87Å; P140-M330 VanDerWaalsContact O-SD 3.39Å; I143-M330 HydrophobicContact CD1-CB 3.74Å; I143-M330 HydrophobicContact CG1-CE 4.22Å; I143-M330 HydrophobicContact CG2-CB 4.43Å; I143-M330 HydrophobicContact CG2-CE 4.25Å; I143-M330 HydrophobicContact CG2-SD 4.37Å; E320-M330 CarbonylContact C-O 3.59Å; E320-M330 WeakPolarHBondContact CA-O 3.35Å; V321-M330 HydrophobicContact CB-CB 4.47Å; V321-M330 PolarHBondContact N-O 3.45Å; V321-M330 PolarHBondContact O-N 3.37Å; L326-M330 HydrophobicContact CD1-CG 3.76Å; L326-M330 HydrophobicContact CD1-SD 4.12Å
331Q94.9Very high92.7Very high90 Ų9054 Ų5442%0.42130%0.302SS..EExtended strand (participates in β ladder)trans-135.4139.5-180-165.8176.17.100110.5I143 S318 C319I143-Q331 VanDerWaalsContact CD1-C 3.41Å; S318-Q331 VanDerWaalsContact CB-NE2 3.29Å; S318-Q331 PolarHBondContact OG-NE2 3.19Å; C319-Q331 VanDerWaalsContact O-CA 3.3Å; C319-Q331 WeakPolarHBondContact O-CA 3.34Å
332T95.1Very high92.3Very high38 Ų3854.2 Ų54.223%0.23330%0.304CS..EExtended strand (participates in β ladder)trans-134.1144.7172.4-174.10000109.2I143 V145 S318 C319I143-T332 HydrophobicContact CB-CG2 4.41Å; I143-T332 HydrophobicContact CD1-CG2 3.78Å; I143-T332 HydrophobicContact CG1-CG2 4.02Å; V145-T332 HydrophobicContact CB-CG2 4.34Å; V145-T332 HydrophobicContact CG2-CG2 3.5Å; V145-T332 VanDerWaalsContact CG2-CG2 3.5Å; S318-T332 CarbonylContact C-O 3.54Å; S318-T332 VanDerWaalsContact CA-O 3.31Å; S318-T332 WeakPolarHBondContact CA-O 3.41Å; C319-T332 HydrophobicContact CB-CG2 4Å; C319-T332 PolarHBondContact N-O 3.14Å; C319-T332 PolarHBondContact O-N 2.91Å; C319-T332 VanDerWaalsContact O-N 3.08Å
333E93.3Very high91.9Very high105 Ų10554.4 Ų54.449%0.49130%0.304SS..EExtended strand (participates in β ladder)trans-128.1141.2-166.2-73.5-179.7176.500111.1L316 F317L316-E333 HydrophobicContact CD1-CB 4.02Å; L316-E333 HydrophobicContact CD1-CG 4.42Å; F317-E333 WeakPolarHBondContact O-CA 3.47Å
334V93.7Very high91.7Very high21 Ų2155.9 Ų55.913%0.12731%0.312CS..EExtended strand (participates in β ladder)trans-134.9133.9173-64.40000108.9V145 L164 F317 F374V145-V334 HydrophobicContact CB-CG1 3.94Å; V145-V334 HydrophobicContact CB-CG2 4.49Å; V145-V334 HydrophobicContact CG1-CB 4.44Å; V145-V334 HydrophobicContact CG1-CG1 3.86Å; V145-V334 HydrophobicContact CG1-CG2 3.65Å; L164-V334 HydrophobicContact CD2-CG2 4.4Å; F317-V334 HydrophobicContact CB-CG2 4.07Å; F317-V334 PolarHBondContact N-O 2.79Å; F317-V334 PolarHBondContact O-N 2.9Å; V334-F374 HydrophobicContact CB-CD1 3.92Å; V334-F374 HydrophobicContact CB-CE1 3.89Å; V334-F374 HydrophobicContact CB-CG 4.46Å; V334-F374 HydrophobicContact CB-CZ 4.38Å; V334-F374 HydrophobicContact CG1-CE1 4.39Å; V334-F374 HydrophobicContact CG1-CZ 4.4Å; V334-F374 HydrophobicContact CG2-CD1 4.2Å; V334-F374 HydrophobicContact CG2-CE1 3.72Å; V334-F374 HydrophobicContact CG2-CZ 4.26Å
335T92.9Very high91.6Very high68 Ų6855.3 Ų55.342%0.41730%0.301SS..EExtended strand (participates in β ladder)trans-99.5124.1172.4-54.80000108.5A315 L316 A337A315-T335 WeakPolarHBondContact O-CA 3.46Å; L316-T335 WeakPolarHBondContact CD1-OG1 3.28Å; T335-A337 PolarHBondContact O-N 2.85Å
336L92.1Very high91.6Very high0 Ų055.9 Ų55.90%030%0.301CS..  trans-72.2125.2172.8-66.5-168.7000108.8F162 W305 L307 D312 D314 A315 F317 F374 L422F162-L336 HydrophobicContact CE1-CD1 4.5Å; F162-L336 HydrophobicContact CE1-CD2 3.88Å; F162-L336 HydrophobicContact CZ-CD2 4.13Å; W305-L336 HydrophobicContact CH2-CD1 4.33Å; W305-L336 HydrophobicContact CZ2-CD1 3.83Å; L307-L336 HydrophobicContact CD1-CD1 4.23Å; D312-L336 HydrophobicContact CB-CD1 4.26Å; D312-L336 VanDerWaalsContact O-CB 3.29Å; D312-L336 WeakPolarHBondContact O-CB 3.36Å; D314-L336 WeakPolarHBondContact CA-O 3.48Å; D314-L336 PolarHBondContact N-O 3.4Å; A315-L336 PolarHBondContact O-N 3.45Å; F317-L336 HydrophobicContact CD2-CD1 3.79Å; F317-L336 HydrophobicContact CD2-CG 3.8Å; F317-L336 HydrophobicContact CE2-CD1 3.4Å; F317-L336 HydrophobicContact CE2-CG 3.92Å; F317-L336 HydrophobicContact CZ-CD1 4.27Å; L336-F374 HydrophobicContact CD2-CD1 3.71Å; L336-F374 HydrophobicContact CD2-CE1 3.62Å; L336-L422 HydrophobicContact CB-CD1 3.78Å
337A91.1Very high91.5Very high19 Ų1956.3 Ų56.316%0.15731%0.305CS..  trans-140.1135.8-179.800000111.4T335 V373 F374 N420T335-A337 PolarHBondContact O-N 2.85Å; A337-V373 HydrophobicContact CB-CG1 4.42Å; A337-V373 WeakPolarHBondContact O-CG1 3.31Å; A337-F374 PolarHBondContact N-O 3.07Å; A337-N420 PolarHBondContact O-ND2 3.3Å
338S90.9Very high91.5Very high28 Ų2852.9 Ų52.920%0.19628%0.28CS..  trans-71.7146.7164.158.10000110.2N313 K340N313-S338 WeakPolarHBondContact OD1-CB 3.14Å; N313-S338 PolarHBondContact OD1-N 3.13Å; N313-S338 PolarHBondContact OD1-OG 3.34Å; S338-K340 PolarHBondContact O-N 3.42Å; S338-K340 VanDerWaalsContact O-N 3.15Å
339P89.8Confident91.3Very high6 Ų651.3 Ų51.34%0.03928%0.279CS..  trans-63.8118.1179.324.2-32.8000110.7F364 A418 N420 T425P339-F364 HydrophobicContact CB-CD1 3.91Å; P339-F364 HydrophobicContact CB-CE1 3.39Å; P339-F364 HydrophobicContact CB-CZ 4.1Å; P339-A418 HydrophobicContact CB-CB 4.29Å; P339-A418 WeakPolarHBondContact CG-O 3.42Å; P339-N420 VanDerWaalsContact CD-OD1 3.26Å; P339-N420 WeakPolarHBondContact CD-OD1 3.32Å; P339-T425 HydrophobicContact CB-CG2 3.93Å; P339-T425 HydrophobicContact CG-CG2 4.16Å; P339-T425 WeakPolarHBondContact O-CB 3.45Å; P339-T425 WeakPolarHBondContact O-CG2 3.22Å
340K85.8Confident91Very high89 Ų8957 Ų5739%0.38729%0.292SS..  trans-95.594.3173.7-65.6172.9-176.6162.90108.1D314 S338 Q365D314-K340 IonicContact OD1-NZ 3.04Å; D314-K340 PolarHBondContact OD1-NZ 3.36Å; D314-K340 IonicContact OD2-NZ 3.01Å; D314-K340 PolarHBondContact OD2-NZ 3.32Å; S338-K340 PolarHBondContact O-N 3.42Å; S338-K340 VanDerWaalsContact O-N 3.15Å; K340-Q365 PolarHBondContact O-N 2.64Å
341G82.6Confident90.8Very high12 Ų1254.5 Ų54.512%0.12428%0.279CS..  trans38100.617500000117.3Q365G341-Q365 WeakPolarHBondContact O-CB 3.35Å; G341-Q365 PolarHBondContact O-N 3.48Å
342P88.2Confident90.7Very high6 Ų655.7 Ų55.74%0.03928%0.283CS..EExtended strand (participates in β ladder)trans-61.3140.5176.924-34.8000113.8L344 V361 G363 F364 F379 A418 T427P342-L344 HydrophobicContact CB-CD2 4.33Å; P342-L344 HydrophobicContact CG-CD2 4.4Å; P342-L344 PolarHBondContact O-N 2.89Å; P342-V361 HydrophobicContact CB-CG1 3.56Å; P342-V361 HydrophobicContact CB-CG2 4.37Å; P342-G363 CarbonylContact C-O 3.58Å; P342-G363 VanDerWaalsContact CA-O 3.24Å; P342-G363 WeakPolarHBondContact CA-O 3.29Å; P342-F364 HydrophobicContact CB-CD1 4.18Å; P342-F364 HydrophobicContact CB-CE1 3.96Å; P342-F364 HydrophobicContact CG-CE1 4.34Å; P342-F379 HydrophobicContact CB-CE1 4.46Å; P342-A418 HydrophobicContact CG-CB 3.87Å; P342-T427 VanDerWaalsContact CD-CG2 3.43Å; P342-T427 HydrophobicContact CG-CG2 3.79Å; P342-T427 WeakPolarHBondContact CG-OG1 3.24Å; P342-T427 WeakPolarHBondContact O-CG2 3.14Å
343K89Confident90.5Very high107 Ų10756.9 Ų56.947%0.46529%0.29SS..EExtended strand (participates in β ladder)trans-80.2115.2171.8-67.9179.1-177.1166.60109.2Q362 G363K343-Q362 PolarHBondContact O-N 3.1Å; K343-G363 PolarHBondContact N-O 2.92Å
344L91.1Very high90.4Very high42 Ų4253.9 Ų53.922%0.2229%0.288CS..EExtended strand (participates in β ladder)trans-92.7137.5-179.7-51.6-174.2000110.8P342 S360 V361 W381 C416 T429P342-L344 HydrophobicContact CB-CD2 4.33Å; P342-L344 HydrophobicContact CG-CD2 4.4Å; P342-L344 PolarHBondContact O-N 2.89Å; L344-S360 WeakPolarHBondContact CA-O 3.02Å; L344-V361 HydrophobicContact CD2-CG2 3.86Å; L344-W381 HydrophobicContact CD1-CH2 4.09Å; L344-W381 HydrophobicContact CD1-CZ3 4.13Å; L344-W381 HydrophobicContact CD2-CH2 3.76Å; L344-W381 HydrophobicContact CD2-CZ2 4.35Å; L344-W381 HydrophobicContact CG-CH2 4.41Å; L344-C416 HydrophobicContact CD1-CB 4.05Å; L344-C416 HydrophobicContact CD2-CB 3.9Å; L344-T429 HydrophobicContact CD1-CG2 3.93Å
345F91.8Very high90.3Very high82 Ų8255.6 Ų55.636%0.3630%0.296SS..EExtended strand (participates in β ladder)trans-125.2139.7175.6-175.5-105.3000110.5T347 I359 S360 Q362F345-T347 HydrophobicContact CD1-CG2 4.28Å; F345-T347 HydrophobicContact CE1-CG2 3.49Å; F345-T347 VanDerWaalsContact CE1-CG2 3.49Å; F345-T347 HydrophobicContact CZ-CG2 4.18Å; F345-I359 CarbonylContact O-C 3.56Å; F345-I359 WeakPolarHBondContact O-CA 2.98Å; F345-S360 PolarHBondContact N-O 2.83Å; F345-S360 PolarHBondContact O-N 2.83Å; F345-Q362 HydrophobicContact CB-CG 3.81Å; F345-Q362 VanDerWaalsContact CD1-NE2 3.31Å
346M92.5Very high90.3Very high29 Ų2955.5 Ų55.514%0.14330%0.295CS..EExtended strand (participates in β ladder)trans-121.6132-176.7-173.517474.800111.5V357 R358 I359 L431M346-V357 HydrophobicContact CG-CG1 3.53Å; M346-V357 HydrophobicContact SD-CG1 3.72Å; M346-R358 CarbonylContact C-O 3.57Å; M346-R358 VanDerWaalsContact CA-O 3.31Å; M346-R358 WeakPolarHBondContact CA-O 3.46Å; M346-I359 HydrophobicContact CG-CG1 4.17Å; M346-I359 HydrophobicContact SD-CG1 4.47Å; M346-L431 HydrophobicContact SD-CD1 3.81Å
347T93.1Very high90.4Very high57 Ų5755.5 Ų55.535%0.3530%0.295SS..EExtended strand (participates in β ladder)trans-129.2128.7178.922.60000111.5F345 V357 R358F345-T347 HydrophobicContact CD1-CG2 4.28Å; F345-T347 HydrophobicContact CE1-CG2 3.49Å; F345-T347 VanDerWaalsContact CE1-CG2 3.49Å; F345-T347 HydrophobicContact CZ-CG2 4.18Å; T347-V357 CarbonylContact O-C 3.55Å; T347-V357 WeakPolarHBondContact O-CA 3.28Å; T347-R358 PolarHBondContact N-O 2.93Å; T347-R358 PolarHBondContact O-N 2.96Å; T347-R358 PolarHBondContact OG1-O 2.94Å
348P91.5Very high90.6Very high50 Ų5060.2 Ų60.233%0.32531%0.309SS..SBendcis-69.6155.7-8.130.9-35.5000112.3R350 A351P348-R350 PolarHBondContact O-N 2.84Å; P348-A351 HydrophobicContact CG-CB 4.42Å
349T88.5Confident90.7Very high109 Ų10958.9 Ų58.967%0.66930%0.3SS*.SBendtrans-66.2-24.2177.842.80000113.5
350R88.4Confident90.8Very high186 Ų18659.3 Ų59.370%0.70230%0.303SS*.SBendtrans-124.287.7173.5-64.1-176.9-178.3-136.31.9109.1P348 F434P348-R350 PolarHBondContact O-N 2.84Å; R350-F434 HydrophobicContact CB-CD2 4.12Å; R350-F434 HydrophobicContact CB-CE2 3.92Å; R350-F434 HydrophobicContact CG-CE2 4.07Å
351A91.3Very high91.1Very high0 Ų055.7 Ų55.70%029%0.288CS..EExtended strand (participates in β ladder)trans-76.2137.1-179.800000111.5P348 V357 V433 F434P348-A351 HydrophobicContact CG-CB 4.42Å; A351-V357 HydrophobicContact CB-CG2 3.45Å; A351-V357 VanDerWaalsContact CB-CG2 3.45Å; A351-V433 CarbonylContact O-C 3.6Å; A351-V433 WeakPolarHBondContact O-CA 3.24Å; A351-F434 WeakPolarHBondContact O-CD2 3.42Å; A351-F434 PolarHBondContact O-N 3.16Å
352K91.9Very high91.1Very high115 Ų11560.7 Ų60.750%0.531%0.308SS..EExtended strand (participates in β ladder)trans-103.4162.7170.7-63.4178.2-177.1176.50111G354 D355 F434K352-G354 PolarHBondContact O-N 2.92Å; K352-D355 WeakPolarHBondContact CB-OD2 3.27Å; K352-D355 PolarHBondContact N-OD2 2.78Å; K352-D355 VanDerWaalsContact O-CB 3.32Å; K352-D355 WeakPolarHBondContact O-CB 3.33Å; K352-D355 PolarHBondContact O-N 2.76Å; K352-F434 VanDerWaalsContact CA-O 3.3Å; K352-F434 WeakPolarHBondContact CA-O 3.03Å
353V91.9Very high90.9Very high64 Ų6460.7 Ų60.739%0.38831%0.309SS..THydrogen-bonded Turntrans-57.5126.5172.7-177.30000109.5A407 V433 F434 E435V353-A407 HydrophobicContact CG2-CB 3.89Å; V353-V433 HydrophobicContact CB-CG1 4.46Å; V353-V433 HydrophobicContact CG2-CG1 3.78Å; V353-F434 PolarHBondContact N-O 3.11Å; V353-E435 HydrophobicContact CG2-CB 4.1Å; V353-E435 HydrophobicContact CG2-CG 4.25Å
354G89.4Confident90.5Very high42 Ų4255.8 Ų55.843%0.43329%0.288SS..THydrogen-bonded Turntrans90.8-7.3-176.900000115.4K352 V405K352-G354 PolarHBondContact O-N 2.92Å; G354-V405 PolarHBondContact N-O 2.05Å
355D92.4Very high89.5Confident56 Ų5660.3 Ų60.330%0.29931%0.308SS..PPolyproline II helixtrans-70.4154.6174.7-72.7-10.1000111.4K352 R404 V405K352-D355 WeakPolarHBondContact CB-OD2 3.27Å; K352-D355 PolarHBondContact N-OD2 2.78Å; K352-D355 VanDerWaalsContact O-CB 3.32Å; K352-D355 WeakPolarHBondContact O-CB 3.33Å; K352-D355 PolarHBondContact O-N 2.76Å; D355-R404 PolarHBondContact O-N 2.9Å; D355-V405 PolarHBondContact O-N 2.8Å
356T93.1Very high87.8Confident66 Ų6658.9 Ų58.941%0.40531%0.306SS..PPolyproline II helixtrans-91.3116.2167-62.40000109.2I401 L402 E403T356-I401 HydrophobicContact CG2-CG2 3.83Å; T356-L402 CarbonylContact C-O 3.57Å; T356-L402 WeakPolarHBondContact CA-O 3.39Å; T356-E403 HydrophobicContact CG2-CG 4.17Å
357V93.9Very high85.8Confident0 Ų060.9 Ų60.90%033%0.334CS..EExtended strand (participates in β ladder)trans-100.4129.5-179.7179.80000109.7M346 T347 A351 I359 L402 V405 L431M346-V357 HydrophobicContact CG-CG1 3.53Å; M346-V357 HydrophobicContact SD-CG1 3.72Å; T347-V357 CarbonylContact O-C 3.55Å; T347-V357 WeakPolarHBondContact O-CA 3.28Å; A351-V357 HydrophobicContact CB-CG2 3.45Å; A351-V357 VanDerWaalsContact CB-CG2 3.45Å; V357-I359 HydrophobicContact CG1-CG1 4.22Å; V357-L402 HydrophobicContact CB-CB 4.37Å; V357-L402 PolarHBondContact N-O 2.85Å; V357-L402 PolarHBondContact O-N 2.81Å; V357-V405 HydrophobicContact CB-CG2 4.08Å; V357-V405 HydrophobicContact CG2-CG2 3.73Å; V357-L431 HydrophobicContact CB-CD1 4.49Å; V357-L431 HydrophobicContact CG1-CD1 4.02Å; V357-L431 HydrophobicContact CG2-CD1 4.24Å
358R94.6Very high83.5Confident118 Ų11867.2 Ų67.245%0.44536%0.357SS..EExtended strand (participates in β ladder)trans-109.2129.5172.8-62.2-175.2177.2-124.90.1109.2M346 T347 E399 L400 I401M346-R358 CarbonylContact C-O 3.57Å; M346-R358 VanDerWaalsContact CA-O 3.31Å; M346-R358 WeakPolarHBondContact CA-O 3.46Å; T347-R358 PolarHBondContact N-O 2.93Å; T347-R358 PolarHBondContact O-N 2.96Å; T347-R358 PolarHBondContact OG1-O 2.94Å; R358-E399 IonicContact NH1-OE2 3.78Å; R358-L400 CarbonylContact C-O 3.53Å; R358-L400 WeakPolarHBondContact CA-O 3.16Å; R358-I401 HydrophobicContact CG-CG1 4.29Å; R358-I401 HydrophobicContact CG-CG2 4.45Å
359I93.8Very high81.5Confident1 Ų173.7 Ų73.71%0.00538%0.383CS..EExtended strand (participates in β ladder)trans-117.5115.3173.5-44.9-177.4000107F345 M346 V357 W381 E399 L400 L402 Y414 T429F345-I359 CarbonylContact O-C 3.56Å; F345-I359 WeakPolarHBondContact O-CA 2.98Å; M346-I359 HydrophobicContact CG-CG1 4.17Å; M346-I359 HydrophobicContact SD-CG1 4.47Å; V357-I359 HydrophobicContact CG1-CG1 4.22Å; I359-W381 HydrophobicContact CB-CH2 4Å; I359-W381 HydrophobicContact CB-CZ3 4.16Å; I359-W381 HydrophobicContact CG2-CH2 3.42Å; I359-W381 VanDerWaalsContact CG2-CH2 3.42Å; I359-W381 HydrophobicContact CG2-CZ2 4.42Å; I359-W381 HydrophobicContact CG2-CZ3 3.65Å; I359-E399 CarbonylContact O-C 3.6Å; I359-E399 WeakPolarHBondContact O-CA 3.44Å; I359-L400 HydrophobicContact CB-CB 4.36Å; I359-L400 HydrophobicContact CD1-CD2 4.33Å; I359-L400 PolarHBondContact N-O 3.02Å; I359-L400 PolarHBondContact O-N 2.86Å; I359-L402 HydrophobicContact CD1-CD1 4.3Å; I359-Y414 HydrophobicContact CD1-CD2 4.22Å; I359-Y414 HydrophobicContact CD1-CG 4.22Å; I359-T429 HydrophobicContact CD1-CG2 4.05Å; I359-T429 HydrophobicContact CG2-CG2 3.91Å
360S92.8Very high79.8Confident14 Ų1470.4 Ų70.410%0.09837%0.371CS..EExtended strand (participates in β ladder)trans-123.6151.4-175.361.70000112.7L344 F345 R398L344-S360 WeakPolarHBondContact CA-O 3.02Å; F345-S360 PolarHBondContact N-O 2.83Å; F345-S360 PolarHBondContact O-N 2.83Å; S360-R398 WeakPolarHBondContact CA-O 3.23Å
361V90.6Very high78.7Confident14 Ų1465.9 Ų65.99%0.08536%0.36CS..EExtended strand (participates in β ladder)trans-85.8117.3173.1179.50000109.3P342 L344 F379 W381 R398P342-V361 HydrophobicContact CB-CG1 3.56Å; P342-V361 HydrophobicContact CB-CG2 4.37Å; L344-V361 HydrophobicContact CD2-CG2 3.86Å; V361-F379 HydrophobicContact CB-CE1 4.23Å; V361-F379 HydrophobicContact CG1-CD1 4.46Å; V361-F379 HydrophobicContact CG1-CE1 3.74Å; V361-F379 HydrophobicContact CG1-CZ 4.08Å; V361-F379 HydrophobicContact CG2-CD1 3.85Å; V361-F379 HydrophobicContact CG2-CE1 3.98Å; V361-W381 HydrophobicContact CG2-CZ2 3.94Å; V361-R398 PolarHBondContact N-O 2.86Å
362Q84.3Confident77.9Confident116 Ų11674.6 Ų74.654%0.54240%0.401SS..EExtended strand (participates in β ladder)trans-97.23179.4-74-163.3-6.300114.4K343 F345K343-Q362 PolarHBondContact O-N 3.1Å; F345-Q362 HydrophobicContact CB-CG 3.81Å; F345-Q362 VanDerWaalsContact CD1-NE2 3.31Å
363G82.1Confident77.8Confident6 Ų669.8 Ų69.86%0.06238%0.382CS..EExtended strand (participates in β ladder)trans142.5-167.8179.200000112P342 K343P342-G363 CarbonylContact C-O 3.58Å; P342-G363 VanDerWaalsContact CA-O 3.24Å; P342-G363 WeakPolarHBondContact CA-O 3.29Å; K343-G363 PolarHBondContact N-O 2.92Å
364F80.6Confident77.7Confident4 Ų469 Ų692%0.01837%0.373CS..EExtended strand (participates in β ladder)trans-110.2161.9178.3-68.2-86.6000112.1P339 P342 V366 V373 P377 F379 A418P339-F364 HydrophobicContact CB-CD1 3.91Å; P339-F364 HydrophobicContact CB-CE1 3.39Å; P339-F364 HydrophobicContact CB-CZ 4.1Å; P342-F364 HydrophobicContact CB-CD1 4.18Å; P342-F364 HydrophobicContact CB-CE1 3.96Å; P342-F364 HydrophobicContact CG-CE1 4.34Å; F364-V366 HydrophobicContact CB-CG2 3.82Å; F364-V366 PolarHBondContact O-N 3.06Å; F364-V373 HydrophobicContact CB-CG2 3.83Å; F364-V373 HydrophobicContact CD1-CG2 3.98Å; F364-V373 HydrophobicContact CD2-CB 3.95Å; F364-V373 HydrophobicContact CD2-CG2 3.29Å; F364-V373 HydrophobicContact CE1-CG2 4.43Å; F364-V373 HydrophobicContact CE2-CB 4Å; F364-V373 HydrophobicContact CE2-CG2 3.82Å; F364-V373 HydrophobicContact CG-CB 4.44Å; F364-V373 HydrophobicContact CG-CG2 3.4Å; F364-V373 HydrophobicContact CZ-CG2 4.37Å; F364-P377 HydrophobicContact CE1-CG 4.37Å; F364-P377 HydrophobicContact CE2-CG 3.72Å; F364-P377 HydrophobicContact CZ-CB 4.28Å; F364-P377 HydrophobicContact CZ-CG 3.33Å; F364-F379 HydrophobicContact CE1-CE1 4.3Å; F364-F379 HydrophobicContact CE2-CE1 4.39Å; F364-F379 AromaticContact CE2-CZ 3.98Å; F364-F379 HydrophobicContact CE2-CZ 3.98Å; F364-F379 AromaticContact CZ-CE1 3.6Å; F364-F379 HydrophobicContact CZ-CE1 3.6Å; F364-F379 AromaticContact CZ-CZ 3.57Å; F364-F379 HydrophobicContact CZ-CZ 3.57Å; F364-A418 HydrophobicContact CE1-CB 3.95Å; F364-A418 HydrophobicContact CZ-CB 4.31Å
365Q70.3Confident77.9Confident138 Ų13867 Ų6765%0.64535%0.352SS*.  trans-81.868.7174.5-163161.58.200109.2K340 G341K340-Q365 PolarHBondContact O-N 2.64Å; G341-Q365 WeakPolarHBondContact O-CB 3.35Å; G341-Q365 PolarHBondContact O-N 3.48Å
366V57.5Low77.8Confident52 Ų5268.7 Ų68.732%0.31536%0.358SS..  trans-108.7120.7178.5-168.50000110.5F364F364-V366 HydrophobicContact CB-CG2 3.82Å; F364-V366 PolarHBondContact O-N 3.06Å
367G49.9Very low77.7Confident70 Ų7065.8 Ų65.872%0.72234%0.341SS*.SBendtrans-77.1135.3162.300000109.5
368F45.5Very low77.6Confident190 Ų19067.5 Ų67.583%0.83335%0.35SS*.SBendtrans67101.1-175.3-92.3-98.4000116.1
369Q48.8Very low77.6Confident186 Ų18662.2 Ų62.287%0.86933%0.33SS*.SBendtrans64.975.2158.7-52.8-155.411.300117.8
370G53.2Low77.6Confident41 Ų4162.6 Ų62.642%0.42333%0.333SS..  trans122.1129.2156.900000113E372G370-E372 PolarHBondContact O-N 3.3Å; G370-E372 VanDerWaalsContact O-N 3.12Å
371N64.4Low77.7Confident90 Ų9062 Ų6248%0.48133%0.328SS..SBendtrans-74.512.5172.5-78.1-13.2000112.5
372E75.9Confident77.8Confident183 Ų18362.5 Ų62.586%0.85533%0.331SS*.  trans-111.8132.7-171.2-65.8-176.1170.200109.9G370G370-E372 PolarHBondContact O-N 3.3Å; G370-E372 VanDerWaalsContact O-N 3.12Å
373V88Confident78.3Confident15 Ų1560.1 Ų60.19%0.09132%0.317CS..  trans-110.1130.3179.3170.10000107.5A337 F364 P375A337-V373 HydrophobicContact CB-CG1 4.42Å; A337-V373 WeakPolarHBondContact O-CG1 3.31Å; F364-V373 HydrophobicContact CB-CG2 3.83Å; F364-V373 HydrophobicContact CD1-CG2 3.98Å; F364-V373 HydrophobicContact CD2-CB 3.95Å; F364-V373 HydrophobicContact CD2-CG2 3.29Å; F364-V373 HydrophobicContact CE1-CG2 4.43Å; F364-V373 HydrophobicContact CE2-CB 4Å; F364-V373 HydrophobicContact CE2-CG2 3.82Å; F364-V373 HydrophobicContact CG-CB 4.44Å; F364-V373 HydrophobicContact CG-CG2 3.4Å; F364-V373 HydrophobicContact CZ-CG2 4.37Å; V373-P375 CarbonylContact O-C 3.47Å
374F90.6Very high78.8Confident46 Ų4662.9 Ų62.920%0.20233%0.333CS..SBendtrans-115.5131.7177.3-178.7-91.8000110A147 L164 V334 L336 A337A147-F374 HydrophobicContact CB-CE1 4.46Å; A147-F374 HydrophobicContact CB-CE2 4.05Å; A147-F374 HydrophobicContact CB-CZ 3.7Å; L164-F374 HydrophobicContact CD2-CE1 3.74Å; L164-F374 HydrophobicContact CD2-CZ 3.77Å; V334-F374 HydrophobicContact CB-CD1 3.92Å; V334-F374 HydrophobicContact CB-CE1 3.89Å; V334-F374 HydrophobicContact CB-CG 4.46Å; V334-F374 HydrophobicContact CB-CZ 4.38Å; V334-F374 HydrophobicContact CG1-CE1 4.39Å; V334-F374 HydrophobicContact CG1-CZ 4.4Å; V334-F374 HydrophobicContact CG2-CD1 4.2Å; V334-F374 HydrophobicContact CG2-CE1 3.72Å; V334-F374 HydrophobicContact CG2-CZ 4.26Å; L336-F374 HydrophobicContact CD2-CD1 3.71Å; L336-F374 HydrophobicContact CD2-CE1 3.62Å; A337-F374 PolarHBondContact N-O 3.07Å
375P92.8Very high78.9Confident1 Ų166.9 Ų66.91%0.00638%0.375CS..SBendcis-66.6159-5.128.1-36000113.5A147 T150 F162 V373 N420 P421A147-P375 HydrophobicContact CB-CB 4.02Å; T150-P375 HydrophobicContact CG2-CB 3.55Å; F162-P375 HydrophobicContact CE2-CB 3.96Å; F162-P375 HydrophobicContact CE2-CG 3.77Å; F162-P375 HydrophobicContact CZ-CB 4.06Å; F162-P375 HydrophobicContact CZ-CG 4Å; V373-P375 CarbonylContact O-C 3.47Å; P375-N420 HydrophobicContact CG-CB 4.21Å; P375-N420 PolarHBondContact O-ND2 2.66Å; P375-P421 HydrophobicContact CG-CG 4.49Å
376E90.8Very high79.5Confident91 Ų9162.1 Ų62.143%0.42536%0.363SS..PPolyproline II helixtrans-56.9126.5-179.1-173.8174.9-170.100111.2P151 R398P151-E376 WeakPolarHBondContact CB-O 3.41Å; E376-R398 IonicContact OE1-CZ 3.69Å; E376-R398 IonicContact OE1-NE 3.79Å; E376-R398 IonicContact OE1-NH2 2.85Å; E376-R398 PolarHBondContact OE1-NH2 3.05Å
377P91.9Very high80.9Confident5 Ų567.8 Ų67.83%0.03238%0.379CS..PPolyproline II helixtrans-83.8149.1-178.529.1-30000113.1F364 F379 Q419 N420F364-P377 HydrophobicContact CE1-CG 4.37Å; F364-P377 HydrophobicContact CE2-CG 3.72Å; F364-P377 HydrophobicContact CZ-CB 4.28Å; F364-P377 HydrophobicContact CZ-CG 3.33Å; P377-F379 HydrophobicContact CG-CE1 4.43Å; P377-F379 HydrophobicContact CG-CE2 4.13Å; P377-F379 HydrophobicContact CG-CZ 3.78Å; P377-F379 WeakPolarHBondContact O-CE2 3.37Å; P377-Q419 CarbonylContact C-O 3.57Å; P377-Q419 VanDerWaalsContact CA-O 3.27Å; P377-Q419 WeakPolarHBondContact CA-O 3.36Å; P377-Q419 WeakPolarHBondContact CB-O 3.49Å; P377-N420 HydrophobicContact CB-CB 4.22Å
378L92.2Very high82.8Confident36 Ų3664.8 Ų64.819%0.18835%0.346CS..EExtended strand (participates in β ladder)trans-79.1142.3165.8-168.488.5000109.9P151 L153 T380 A418 Q419P151-L378 HydrophobicContact CB-CB 4.3Å; P151-L378 HydrophobicContact CB-CD1 4.41Å; P151-L378 HydrophobicContact CG-CD1 4.24Å; L153-L378 HydrophobicContact CD2-CD2 3.52Å; L378-T380 HydrophobicContact CD2-CG2 4.28Å; L378-A418 WeakPolarHBondContact O-CA 3.49Å; L378-Q419 HydrophobicContact CB-CG 4.26Å; L378-Q419 PolarHBondContact N-O 2.79Å; L378-Q419 PolarHBondContact O-N 3.04Å
379F92.8Very high84.6Confident8 Ų859.3 Ų59.34%0.03533%0.326CS..EExtended strand (participates in β ladder)trans-118130.5176.5-59.5-83.5000111.3P342 V361 F364 P377 E396 G397 R398 T417 A418P342-F379 HydrophobicContact CB-CE1 4.46Å; V361-F379 HydrophobicContact CB-CE1 4.23Å; V361-F379 HydrophobicContact CG1-CD1 4.46Å; V361-F379 HydrophobicContact CG1-CE1 3.74Å; V361-F379 HydrophobicContact CG1-CZ 4.08Å; V361-F379 HydrophobicContact CG2-CD1 3.85Å; V361-F379 HydrophobicContact CG2-CE1 3.98Å; F364-F379 HydrophobicContact CE1-CE1 4.3Å; F364-F379 HydrophobicContact CE2-CE1 4.39Å; F364-F379 AromaticContact CE2-CZ 3.98Å; F364-F379 HydrophobicContact CE2-CZ 3.98Å; F364-F379 AromaticContact CZ-CE1 3.6Å; F364-F379 HydrophobicContact CZ-CE1 3.6Å; F364-F379 AromaticContact CZ-CZ 3.57Å; F364-F379 HydrophobicContact CZ-CZ 3.57Å; P377-F379 HydrophobicContact CG-CE1 4.43Å; P377-F379 HydrophobicContact CG-CE2 4.13Å; P377-F379 HydrophobicContact CG-CZ 3.78Å; P377-F379 WeakPolarHBondContact O-CE2 3.37Å; F379-E396 WeakPolarHBondContact O-CA 3.16Å; F379-G397 VanDerWaalsContact CB-O 3.3Å; F379-G397 WeakPolarHBondContact CB-O 3.48Å; F379-G397 PolarHBondContact O-N 3.31Å; F379-R398 HydrophobicContact CD2-CG 3.52Å; F379-R398 HydrophobicContact CE2-CG 3.58Å; F379-R398 HydrophobicContact CG-CG 4.35Å; F379-R398 HydrophobicContact CZ-CG 4.44Å; F379-T417 WeakPolarHBondContact CA-O 3.47Å; F379-A418 HydrophobicContact CD1-CB 3.76Å; F379-A418 HydrophobicContact CE1-CB 3.73Å
380T93.8Very high86.2Confident9 Ų954.2 Ų54.26%0.05530%0.304CS..EExtended strand (participates in β ladder)trans-130.9129.417927.80000110.5L378 E396 C416 T417L378-T380 HydrophobicContact CD2-CG2 4.28Å; T380-E396 HydrophobicContact CG2-CG 3.98Å; T380-C416 WeakPolarHBondContact O-CA 3.1Å; T380-T417 WeakPolarHBondContact CB-OG1 3.49Å; T380-T417 PolarHBondContact N-O 3.02Å; T380-T417 PolarHBondContact O-N 3.13Å; T380-T417 PolarHBondContact O-OG1 3.45Å; T380-T417 PolarHBondContact OG1-O 2.97Å; T380-T417 PolarHBondContact OG1-OG1 3.2Å
381W94.9Very high87.5Confident0 Ų054 Ų540%030%0.302CS..EExtended strand (participates in β ladder)trans-108.1133-177-68.892.1000111.2L344 I359 V361 E394 R395 G397 L400 R415 C416L344-W381 HydrophobicContact CD1-CH2 4.09Å; L344-W381 HydrophobicContact CD1-CZ3 4.13Å; L344-W381 HydrophobicContact CD2-CH2 3.76Å; L344-W381 HydrophobicContact CD2-CZ2 4.35Å; L344-W381 HydrophobicContact CG-CH2 4.41Å; I359-W381 HydrophobicContact CB-CH2 4Å; I359-W381 HydrophobicContact CB-CZ3 4.16Å; I359-W381 HydrophobicContact CG2-CH2 3.42Å; I359-W381 VanDerWaalsContact CG2-CH2 3.42Å; I359-W381 HydrophobicContact CG2-CZ2 4.42Å; I359-W381 HydrophobicContact CG2-CZ3 3.65Å; V361-W381 HydrophobicContact CG2-CZ2 3.94Å; W381-E394 CarbonylContact O-C 3.51Å; W381-E394 VanDerWaalsContact O-CA 3.25Å; W381-E394 WeakPolarHBondContact O-CA 3.13Å; W381-R395 HydrophobicContact CB-CB 4.43Å; W381-R395 WeakPolarHBondContact CB-O 3.45Å; W381-R395 PolarHBondContact N-O 3.1Å; W381-R395 PolarHBondContact O-N 2.98Å; W381-G397 VanDerWaalsContact CD1-O 3.27Å; W381-G397 PolarHBondContact NE1-O 2.81Å; W381-L400 HydrophobicContact CB-CB 4.28Å; W381-L400 HydrophobicContact CB-CD1 4.26Å; W381-L400 HydrophobicContact CB-CD2 4.19Å; W381-L400 HydrophobicContact CB-CG 4.48Å; W381-L400 HydrophobicContact CD2-CB 3.64Å; W381-L400 HydrophobicContact CD2-CD2 4.23Å; W381-L400 HydrophobicContact CE3-CB 3.97Å; W381-L400 HydrophobicContact CE3-CD2 3.9Å; W381-L400 HydrophobicContact CG-CB 3.78Å; W381-L400 HydrophobicContact CG-CD2 4.38Å; W381-L400 HydrophobicContact CG-CG 4.47Å; W381-R415 CarbonylContact C-O 3.45Å; W381-R415 WeakPolarHBondContact CA-O 3.3Å; W381-C416 HydrophobicContact CD2-CB 4Å; W381-C416 HydrophobicContact CE3-CB 3.7Å; W381-C416 HydrophobicContact CH2-CB 3.69Å; W381-C416 HydrophobicContact CZ2-CB 3.97Å; W381-C416 HydrophobicContact CZ3-CB 3.55Å
382T94.5Very high88.4Confident25 Ų2551.4 Ų51.415%0.15329%0.291CS..EExtended strand (participates in β ladder)trans-137.5153.1177.256.90000110.7E394 Y414 R415T382-E394 HydrophobicContact CG2-CB 4.09Å; T382-E394 HydrophobicContact CG2-CG 3.85Å; T382-Y414 WeakPolarHBondContact O-CA 3.41Å; T382-R415 PolarHBondContact N-O 2.94Å; T382-R415 PolarHBondContact O-N 3.16Å
383R93.9Very high88.6Confident67 Ų6745.3 Ų45.325%0.25327%0.272SS..EExtended strand (participates in β ladder)trans-90.7129.8168.5-176-178.6178.1-169.1-0.2108.9G385 G386 R387 L388 S412 Y414R383-G385 PolarHBondContact O-N 2.89Å; R383-G386 PolarHBondContact O-N 2.95Å; R383-R387 WeakPolarHBondContact CD-O 3.38Å; R383-L388 HydrophobicContact CB-CD2 4.21Å; R383-S412 PolarHBondContact NH2-OG 3.39Å; R383-Y414 HydrophobicContact CB-CD1 4.41Å; R383-Y414 HydrophobicContact CB-CE1 4.26Å; R383-Y414 HydrophobicContact CG-CE1 4.39Å
384V92.4Very high88.7Confident63 Ų6350.5 Ų50.538%0.38230%0.295SS..THydrogen-bonded Turntrans-69.5118.1177.3-178.40000109.1M413 R415V384-M413 HydrophobicContact CB-CB 3.96Å; V384-M413 HydrophobicContact CG2-CB 3.92Å; V384-M413 PolarHBondContact N-O 3.43Å; V384-R415 HydrophobicContact CG2-CB 4.05Å
385G82.8Confident88.7Confident89 Ų8951.8 Ų51.892%0.91830%0.299SS*.THydrogen-bonded Turntrans82.516176.800000115.4R383R383-G385 PolarHBondContact O-N 2.89Å
386G83.3Confident88.6Confident38 Ų3858.7 Ų58.739%0.39233%0.331SS..BIsolated β-bridgetrans-174.3-175.7176.700000113.9R383R383-G386 PolarHBondContact O-N 2.95Å
387R86.8Confident88.6Confident171 Ų17155.8 Ų55.865%0.64533%0.326SS*.  trans-85.3160.1173.5-66.6177.1178.5-133.54.6110.9R383 G391 S392R383-R387 WeakPolarHBondContact CD-O 3.38Å; R387-G391 WeakPolarHBondContact CD-O 3.29Å; R387-G391 PolarHBondContact NH1-O 2.7Å; R387-S392 WeakPolarHBondContact CB-O 3.35Å
388L89.7Confident88.5Confident7 Ų761 Ų614%0.03735%0.345CS..  trans-66.4166.7169.9-68.5175.6000110.7R383 D390 G391 S392 R395 L400 Y414R383-L388 HydrophobicContact CB-CD2 4.21Å; L388-D390 WeakPolarHBondContact CB-OD1 3.43Å; L388-D390 PolarHBondContact O-N 3.01Å; L388-G391 PolarHBondContact O-N 2.83Å; L388-S392 WeakPolarHBondContact CD1-OG 3.45Å; L388-S392 PolarHBondContact N-O 3.02Å; L388-R395 HydrophobicContact CD1-CB 3.57Å; L388-L400 HydrophobicContact CD1-CD1 4.29Å; L388-L400 HydrophobicContact CD2-CD1 4.21Å; L388-L400 HydrophobicContact CD2-CD2 4.28Å; L388-Y414 HydrophobicContact CD2-CD1 4.15Å; L388-Y414 HydrophobicContact CD2-CE1 3.92Å
389L83.1Confident88.5Confident75 Ų7563.5 Ų63.539%0.39336%0.356SS..THydrogen-bonded Turntrans-59.1-28.9-178.1-83.1175.4000113.5G391 L402 P406 L409L389-G391 PolarHBondContact O-N 2.75Å; L389-L402 HydrophobicContact CD1-CB 3.98Å; L389-L402 HydrophobicContact CD1-CD2 4.06Å; L389-L402 HydrophobicContact CG-CD2 4.47Å; L389-P406 HydrophobicContact CD2-CG 4.32Å; L389-L409 HydrophobicContact CD1-CD1 3.74Å; L389-L409 HydrophobicContact CD2-CD1 3.46Å; L389-L409 VanDerWaalsContact CD2-CD1 3.46Å; L389-L409 HydrophobicContact CD2-CG 4.28Å; L389-L409 HydrophobicContact CG-CD1 3.6Å
390D83.1Confident88.5Confident79 Ų7963.1 Ų63.142%0.42235%0.354SS..THydrogen-bonded Turntrans-80.82.5177.359.23.4000113.3L388 S392 R395L388-D390 WeakPolarHBondContact CB-OD1 3.43Å; L388-D390 PolarHBondContact O-N 3.01Å; D390-S392 PolarHBondContact O-N 2.87Å; D390-S392 VanDerWaalsContact OD1-CB 3.28Å; D390-S392 WeakPolarHBondContact OD1-CB 3.48Å; D390-S392 PolarHBondContact OD1-N 2.86Å; D390-S392 PolarHBondContact OD1-OG 2.81Å; D390-S392 PolarHBondContact OD2-OG 2.82Å; D390-R395 IonicContact OD2-CZ 2.66Å; D390-R395 IonicContact OD2-NE 2.61Å; D390-R395 PolarHBondContact OD2-NE 3.48Å; D390-R395 IonicContact OD2-NH2 3.4Å; D390-R395 PolarHBondContact OD2-NH2 2.83Å
391G79.5Confident88.5Confident37 Ų3764.9 Ų64.938%0.38136%0.362SS..SBendtrans77.4-0.6-176.700000114.4R387 L388 L389R387-G391 WeakPolarHBondContact CD-O 3.29Å; R387-G391 PolarHBondContact NH1-O 2.7Å; L388-G391 PolarHBondContact O-N 2.83Å; L389-G391 PolarHBondContact O-N 2.75Å
392S83.7Confident88.4Confident34 Ų3465 Ų6524%0.23836%0.363CS..  trans-74.5150.6172.673.10000110.8R387 L388 D390 E394R387-S392 WeakPolarHBondContact CB-O 3.35Å; L388-S392 WeakPolarHBondContact CD1-OG 3.45Å; L388-S392 PolarHBondContact N-O 3.02Å; D390-S392 PolarHBondContact O-N 2.87Å; D390-S392 VanDerWaalsContact OD1-CB 3.28Å; D390-S392 WeakPolarHBondContact OD1-CB 3.48Å; D390-S392 PolarHBondContact OD1-N 2.86Å; D390-S392 PolarHBondContact OD1-OG 2.81Å; D390-S392 PolarHBondContact OD2-OG 2.82Å; S392-E394 PolarHBondContact OG-O 3.19Å
393A81.3Confident88.3Confident56 Ų5670.5 Ų70.546%0.46339%0.387SS..SBendtrans-75.4-32.4172.200000111.1
394E88.8Confident88.1Confident124 Ų12477.2 Ų77.258%0.57941%0.412SS*.EExtended strand (participates in β ladder)trans-147.4151.4-169.2-38.9-174-169.300110.4W381 T382 S392W381-E394 CarbonylContact O-C 3.51Å; W381-E394 VanDerWaalsContact O-CA 3.25Å; W381-E394 WeakPolarHBondContact O-CA 3.13Å; T382-E394 HydrophobicContact CG2-CB 4.09Å; T382-E394 HydrophobicContact CG2-CG 3.85Å; S392-E394 PolarHBondContact OG-O 3.19Å
395R90.9Very high88Confident72 Ų7274.2 Ų74.227%0.27239%0.394SS..EExtended strand (participates in β ladder)trans-132.3130.5171.6-176.8178.9-68.1-172.31.1111.1W381 L388 D390 L400 I401W381-R395 HydrophobicContact CB-CB 4.43Å; W381-R395 WeakPolarHBondContact CB-O 3.45Å; W381-R395 PolarHBondContact N-O 3.1Å; W381-R395 PolarHBondContact O-N 2.98Å; L388-R395 HydrophobicContact CD1-CB 3.57Å; D390-R395 IonicContact OD2-CZ 2.66Å; D390-R395 IonicContact OD2-NE 2.61Å; D390-R395 PolarHBondContact OD2-NE 3.48Å; D390-R395 IonicContact OD2-NH2 3.4Å; D390-R395 PolarHBondContact OD2-NH2 2.83Å; R395-L400 HydrophobicContact CB-CD1 4.34Å; R395-I401 PolarHBondContact NH1-O 3.15Å
396E91.1Very high88.4Confident146 Ų14671.9 Ų71.968%0.68236%0.363SS*.EExtended strand (participates in β ladder)trans-85.8148.9178.1-65.5-178.4177.700112.3F379 T380F379-E396 WeakPolarHBondContact O-CA 3.16Å; T380-E396 HydrophobicContact CG2-CG 3.98Å
397G89.9Confident88.7Confident31 Ų3171.6 Ų71.632%0.3236%0.357SS..SBendtrans121.6168.3170.800000114.3F379 W381 E399F379-G397 VanDerWaalsContact CB-O 3.3Å; F379-G397 WeakPolarHBondContact CB-O 3.48Å; F379-G397 PolarHBondContact O-N 3.31Å; W381-G397 VanDerWaalsContact CD1-O 3.27Å; W381-G397 PolarHBondContact NE1-O 2.81Å; G397-E399 PolarHBondContact O-N 3.36Å
398R89.6Confident88.7Confident113 Ų11370.5 Ų70.543%0.42636%0.359SS..SBendtrans-70.5-11.9-179.3-72.6176.9-178.6-110.16113.8S360 V361 E376 F379S360-R398 WeakPolarHBondContact CA-O 3.23Å; V361-R398 PolarHBondContact N-O 2.86Å; E376-R398 IonicContact OE1-CZ 3.69Å; E376-R398 IonicContact OE1-NE 3.79Å; E376-R398 IonicContact OE1-NH2 2.85Å; E376-R398 PolarHBondContact OE1-NH2 3.05Å; F379-R398 HydrophobicContact CD2-CG 3.52Å; F379-R398 HydrophobicContact CE2-CG 3.58Å; F379-R398 HydrophobicContact CG-CG 4.35Å; F379-R398 HydrophobicContact CZ-CG 4.44Å
399E92.6Very high88.6Confident90 Ų9070.5 Ų70.542%0.42136%0.359SS..EExtended strand (participates in β ladder)trans-132.7135.8-179.1-52.7-161.9147.200112.4R358 I359 G397R358-E399 IonicContact NH1-OE2 3.78Å; I359-E399 CarbonylContact O-C 3.6Å; I359-E399 WeakPolarHBondContact O-CA 3.44Å; G397-E399 PolarHBondContact O-N 3.36Å
400L93.7Very high89Confident0 Ų071 Ų710%036%0.362CS..EExtended strand (participates in β ladder)trans-103.9119.4166.2176.563.4000109.4R358 I359 W381 L388 R395 L402 Y414R358-L400 CarbonylContact C-O 3.53Å; R358-L400 WeakPolarHBondContact CA-O 3.16Å; I359-L400 HydrophobicContact CB-CB 4.36Å; I359-L400 HydrophobicContact CD1-CD2 4.33Å; I359-L400 PolarHBondContact N-O 3.02Å; I359-L400 PolarHBondContact O-N 2.86Å; W381-L400 HydrophobicContact CB-CB 4.28Å; W381-L400 HydrophobicContact CB-CD1 4.26Å; W381-L400 HydrophobicContact CB-CD2 4.19Å; W381-L400 HydrophobicContact CB-CG 4.48Å; W381-L400 HydrophobicContact CD2-CB 3.64Å; W381-L400 HydrophobicContact CD2-CD2 4.23Å; W381-L400 HydrophobicContact CE3-CB 3.97Å; W381-L400 HydrophobicContact CE3-CD2 3.9Å; W381-L400 HydrophobicContact CG-CB 3.78Å; W381-L400 HydrophobicContact CG-CD2 4.38Å; W381-L400 HydrophobicContact CG-CG 4.47Å; L388-L400 HydrophobicContact CD1-CD1 4.29Å; L388-L400 HydrophobicContact CD2-CD1 4.21Å; L388-L400 HydrophobicContact CD2-CD2 4.28Å; R395-L400 HydrophobicContact CB-CD1 4.34Å; L400-L402 HydrophobicContact CD1-CD2 4.14Å; L400-L402 HydrophobicContact CD2-CD2 4.14Å; L400-L402 HydrophobicContact CD2-CG 4.37Å; L400-L402 HydrophobicContact CG-CD2 4.04Å; L400-L402 HydrophobicContact CG-CG 4.19Å; L400-Y414 HydrophobicContact CD2-CD1 3.48Å; L400-Y414 VanDerWaalsContact CD2-CD1 3.48Å; L400-Y414 HydrophobicContact CD2-CE1 3.94Å; L400-Y414 HydrophobicContact CD2-CG 4.19Å
401I93.8Very high89.2Confident46 Ų4668.3 Ų68.324%0.23635%0.352CS..EExtended strand (participates in β ladder)trans-106.4115.5177.4-53.5177.7000109T356 R358 R395 E403T356-I401 HydrophobicContact CG2-CG2 3.83Å; R358-I401 HydrophobicContact CG-CG1 4.29Å; R358-I401 HydrophobicContact CG-CG2 4.45Å; R395-I401 PolarHBondContact NH1-O 3.15Å; I401-E403 HydrophobicContact CG2-CG 4.13Å
402L91.8Very high89.8Confident3 Ų367.3 Ų67.32%0.01634%0.34CS..EExtended strand (participates in β ladder)trans-105.1102.6176.4-58.1174.1000108.3T356 V357 I359 L389 L400 V405 Y414 L431T356-L402 CarbonylContact C-O 3.57Å; T356-L402 WeakPolarHBondContact CA-O 3.39Å; V357-L402 HydrophobicContact CB-CB 4.37Å; V357-L402 PolarHBondContact N-O 2.85Å; V357-L402 PolarHBondContact O-N 2.81Å; I359-L402 HydrophobicContact CD1-CD1 4.3Å; L389-L402 HydrophobicContact CD1-CB 3.98Å; L389-L402 HydrophobicContact CD1-CD2 4.06Å; L389-L402 HydrophobicContact CG-CD2 4.47Å; L400-L402 HydrophobicContact CD1-CD2 4.14Å; L400-L402 HydrophobicContact CD2-CD2 4.14Å; L400-L402 HydrophobicContact CD2-CG 4.37Å; L400-L402 HydrophobicContact CG-CD2 4.04Å; L400-L402 HydrophobicContact CG-CG 4.19Å; L402-V405 HydrophobicContact CB-CG2 3.77Å; L402-Y414 HydrophobicContact CD1-CE1 3.85Å; L402-Y414 HydrophobicContact CD1-CE2 3.92Å; L402-Y414 VanDerWaalsContact CD1-CZ 3.45Å; L402-Y414 WeakPolarHBondContact CD1-OH 3.38Å; L402-Y414 HydrophobicContact CD2-CE1 3.94Å; L402-L431 HydrophobicContact CD1-CD2 4.13Å
403E91.8Very high90.3Very high140 Ų14068.9 Ų68.965%0.65434%0.344SS*.  trans-82.4138.5179.7-60.5-172.5162.200111T356 I401 V405T356-E403 HydrophobicContact CG2-CG 4.17Å; I401-E403 HydrophobicContact CG2-CG 4.13Å; E403-V405 PolarHBondContact O-N 3.09Å
404R90.5Very high90.9Very high207 Ų20766.2 Ų66.278%0.78132%0.322SS*.SBendtrans47.561.2174.9-61.3-177.5179.8-166.80.3113.1D355 P406D355-R404 PolarHBondContact O-N 2.9Å; R404-P406 WeakPolarHBondContact O-CD 3.38Å
405V91.4Very high91.1Very high0 Ų064.4 Ų64.40%031%0.31CS..  trans-61123.6-176177.60000110.8G354 D355 V357 L402 E403 L409 L431 V433G354-V405 PolarHBondContact N-O 2.05Å; D355-V405 PolarHBondContact O-N 2.8Å; V357-V405 HydrophobicContact CB-CG2 4.08Å; V357-V405 HydrophobicContact CG2-CG2 3.73Å; L402-V405 HydrophobicContact CB-CG2 3.77Å; E403-V405 PolarHBondContact O-N 3.09Å; V405-L409 HydrophobicContact CG1-CB 4.15Å; V405-L409 HydrophobicContact CG1-CD1 4.26Å; V405-L431 HydrophobicContact CG1-CD2 3.82Å; V405-V433 HydrophobicContact CG1-CG1 4.44Å; V405-V433 HydrophobicContact CG1-CG2 3.56Å
406P91.1Very high91.3Very high41 Ų4161 Ų6127%0.26630%0.297SS..  trans-88.7166.1179.541.2-39.9000111.4L389 R404 E408 L409L389-P406 HydrophobicContact CD2-CG 4.32Å; R404-P406 WeakPolarHBondContact O-CD 3.38Å; P406-E408 VanDerWaalsContact C-N 3.28Å; P406-E408 WeakPolarHBondContact CB-OE2 3.45Å; P406-E408 WeakPolarHBondContact CG-OE2 3.35Å; P406-E408 PolarHBondContact O-N 2.86Å; P406-L409 HydrophobicContact CG-CD1 4.38Å; P406-L409 HydrophobicContact CG-CG 3.96Å; P406-L409 PolarHBondContact O-N 3.22Å
407A87.9Confident91.4Very high31 Ų3155 Ų5526%0.25627%0.271SS..G310 helixtrans-66.7-27.4-171.100000113.3V353 L409 N410V353-A407 HydrophobicContact CG2-CB 3.89Å; A407-L409 PolarHBondContact O-N 2.88Å; A407-N410 VanDerWaalsContact O-CB 3.23Å; A407-N410 WeakPolarHBondContact O-CB 3.28Å; A407-N410 PolarHBondContact O-N 2.85Å; A407-N410 VanDerWaalsContact O-N 3.09Å
408E88.1Confident91.6Very high148 Ų14853.5 Ų53.569%0.69226%0.255SS*.G310 helixtrans-70.5-16.1-177.8-48.474.2-159.800112.4P406 N410P406-E408 VanDerWaalsContact C-N 3.28Å; P406-E408 WeakPolarHBondContact CB-OE2 3.45Å; P406-E408 WeakPolarHBondContact CG-OE2 3.35Å; P406-E408 PolarHBondContact O-N 2.86Å; E408-N410 VanDerWaalsContact C-N 3.28Å
409L87.6Confident91.7Very high8 Ų849.7 Ų49.74%0.04224%0.242CC..G310 helixtrans-81.1-7.8174.3-65.3-161.6000113.4L389 V405 P406 A407 G411 S412 Y414 L431L389-L409 HydrophobicContact CD1-CD1 3.74Å; L389-L409 HydrophobicContact CD2-CD1 3.46Å; L389-L409 VanDerWaalsContact CD2-CD1 3.46Å; L389-L409 HydrophobicContact CD2-CG 4.28Å; L389-L409 HydrophobicContact CG-CD1 3.6Å; V405-L409 HydrophobicContact CG1-CB 4.15Å; V405-L409 HydrophobicContact CG1-CD1 4.26Å; P406-L409 HydrophobicContact CG-CD1 4.38Å; P406-L409 HydrophobicContact CG-CG 3.96Å; P406-L409 PolarHBondContact O-N 3.22Å; A407-L409 PolarHBondContact O-N 2.88Å; L409-G411 PolarHBondContact O-N 3.48Å; L409-S412 WeakPolarHBondContact O-CB 3.41Å; L409-S412 PolarHBondContact O-N 3.02Å; L409-S412 PolarHBondContact O-OG 3.41Å; L409-Y414 WeakPolarHBondContact CD1-OH 3.47Å; L409-L431 HydrophobicContact CB-CD2 4.04Å; L409-L431 HydrophobicContact CD1-CD2 4.5Å
410N90.5Very high91.7Very high86 Ų8645.4 Ų45.446%0.4622%0.222SC..THydrogen-bonded Turntrans-57.3126.8179-170.615.6000111.3A407 E408 S412 V433A407-N410 VanDerWaalsContact O-CB 3.23Å; A407-N410 WeakPolarHBondContact O-CB 3.28Å; A407-N410 PolarHBondContact O-N 2.85Å; A407-N410 VanDerWaalsContact O-N 3.09Å; E408-N410 VanDerWaalsContact C-N 3.28Å; N410-S412 VanDerWaalsContact C-N 3.3Å; N410-S412 PolarHBondContact O-N 3.05Å; N410-V433 HydrophobicContact CB-CB 4.1Å; N410-V433 HydrophobicContact CB-CG2 4.43Å; N410-V433 PolarHBondContact ND2-O 3.35Å; N410-V433 PolarHBondContact OD1-N 2.81Å
411G87.9Confident91.6Very high21 Ų2145.7 Ų45.722%0.21622%0.224CC..THydrogen-bonded Turntrans82.2-0.6-177.400000114.9L409 R430 L431L409-G411 PolarHBondContact O-N 3.48Å; G411-R430 PolarHBondContact O-NE 2.97Å; G411-L431 VanDerWaalsContact CA-O 3.26Å; G411-L431 WeakPolarHBondContact CA-O 3.46Å; G411-L431 PolarHBondContact N-O 3.15Å
412S91.3Very high91.4Very high16 Ų1643.9 Ų43.911%0.11222%0.215CC..  trans-63.7143.7176.1-65.70000111.7R383 L409 N410 L431R383-S412 PolarHBondContact NH2-OG 3.39Å; L409-S412 WeakPolarHBondContact O-CB 3.41Å; L409-S412 PolarHBondContact O-N 3.02Å; L409-S412 PolarHBondContact O-OG 3.41Å; N410-S412 VanDerWaalsContact C-N 3.3Å; N410-S412 PolarHBondContact O-N 3.05Å; S412-L431 PolarHBondContact O-N 3.36Å
413M94.2Very high91.4Very high67 Ų6744.1 Ų44.133%0.3322%0.218SC..EExtended strand (participates in β ladder)trans-99.4131.7177.1-66.5-63.8-59.900110.4V384 H428 T429 R430V384-M413 HydrophobicContact CB-CB 3.96Å; V384-M413 HydrophobicContact CG2-CB 3.92Å; V384-M413 PolarHBondContact N-O 3.43Å; M413-H428 HydrophobicContact CE-CB 3.63Å; M413-T429 WeakPolarHBondContact CA-O 3.3Å; M413-R430 HydrophobicContact CE-CB 4.4Å; M413-R430 HydrophobicContact SD-CB 3.44Å; M413-R430 WeakPolarHBondContact SD-CB 3.42Å; M413-R430 HydrophobicContact SD-CG 3.61Å
414Y93.9Very high91.4Very high0 Ų040.2 Ų40.20%021%0.206CC..EExtended strand (participates in β ladder)trans-108.1137.7172-68.3-90.5000109.3I359 T382 R383 L388 L400 L402 L409 H428 T429 L431I359-Y414 HydrophobicContact CD1-CD2 4.22Å; I359-Y414 HydrophobicContact CD1-CG 4.22Å; T382-Y414 WeakPolarHBondContact O-CA 3.41Å; R383-Y414 HydrophobicContact CB-CD1 4.41Å; R383-Y414 HydrophobicContact CB-CE1 4.26Å; R383-Y414 HydrophobicContact CG-CE1 4.39Å; L388-Y414 HydrophobicContact CD2-CD1 4.15Å; L388-Y414 HydrophobicContact CD2-CE1 3.92Å; L400-Y414 HydrophobicContact CD2-CD1 3.48Å; L400-Y414 VanDerWaalsContact CD2-CD1 3.48Å; L400-Y414 HydrophobicContact CD2-CE1 3.94Å; L400-Y414 HydrophobicContact CD2-CG 4.19Å; L402-Y414 HydrophobicContact CD1-CE1 3.85Å; L402-Y414 HydrophobicContact CD1-CE2 3.92Å; L402-Y414 VanDerWaalsContact CD1-CZ 3.45Å; L402-Y414 WeakPolarHBondContact CD1-OH 3.38Å; L402-Y414 HydrophobicContact CD2-CE1 3.94Å; L409-Y414 WeakPolarHBondContact CD1-OH 3.47Å; Y414-H428 CarbonylContact O-C 3.58Å; Y414-H428 VanDerWaalsContact O-CA 3.25Å; Y414-H428 WeakPolarHBondContact O-CA 3.35Å; Y414-T429 PolarHBondContact N-O 3.02Å; Y414-T429 PolarHBondContact O-N 3.24Å; Y414-L431 HydrophobicContact CD2-CB 4.03Å; Y414-L431 HydrophobicContact CE2-CB 3.65Å; Y414-L431 HydrophobicContact CE2-CD2 3.67Å; Y414-L431 HydrophobicContact CE2-CG 4.29Å
415R94.6Very high91.5Very high86 Ų8631.9 Ų31.933%0.32518%0.178SC..EExtended strand (participates in β ladder)trans-111.6123.8178179.2-170.5-58.6175.7-3.2108.9W381 T382 V384 T417 D426 T427 H428W381-R415 CarbonylContact C-O 3.45Å; W381-R415 WeakPolarHBondContact CA-O 3.3Å; T382-R415 PolarHBondContact N-O 2.94Å; T382-R415 PolarHBondContact O-N 3.16Å; V384-R415 HydrophobicContact CG2-CB 4.05Å; R415-T417 HydrophobicContact CG-CG2 3.75Å; R415-D426 HydrophobicContact CG-CB 4.25Å; R415-T427 CarbonylContact C-O 3.58Å; R415-T427 VanDerWaalsContact CA-O 3.3Å; R415-T427 WeakPolarHBondContact CA-O 3.41Å; R415-H428 PolarHBondContact NE-NE2 2.91Å
416C94.3Very high91.5Very high0 Ų035.2 Ų35.20%020%0.196CC..EExtended strand (participates in β ladder)trans-101.1117.7165.7-177.50000108.1L344 T380 W381 T427L344-C416 HydrophobicContact CD1-CB 4.05Å; L344-C416 HydrophobicContact CD2-CB 3.9Å; T380-C416 WeakPolarHBondContact O-CA 3.1Å; W381-C416 HydrophobicContact CD2-CB 4Å; W381-C416 HydrophobicContact CE3-CB 3.7Å; W381-C416 HydrophobicContact CH2-CB 3.69Å; W381-C416 HydrophobicContact CZ2-CB 3.97Å; W381-C416 HydrophobicContact CZ3-CB 3.55Å; C416-T427 PolarHBondContact N-O 3.43Å; C416-T427 PolarHBondContact O-N 3.21Å; C416-T427 PolarHBondContact O-OG1 2.94Å; C416-T427 VanDerWaalsContact O-OG1 3.11Å
417T92.9Very high91.6Very high21 Ų2134.3 Ų34.313%0.12919%0.19CC..EExtended strand (participates in β ladder)trans-101121.4173.863.50000107.9F379 T380 R415 T425 D426F379-T417 WeakPolarHBondContact CA-O 3.47Å; T380-T417 WeakPolarHBondContact CB-OG1 3.49Å; T380-T417 PolarHBondContact N-O 3.02Å; T380-T417 PolarHBondContact O-N 3.13Å; T380-T417 PolarHBondContact O-OG1 3.45Å; T380-T417 PolarHBondContact OG1-O 2.97Å; T380-T417 PolarHBondContact OG1-OG1 3.2Å; R415-T417 HydrophobicContact CG-CG2 3.75Å; T417-T425 WeakPolarHBondContact CA-O 3.37Å; T417-D426 WeakPolarHBondContact CB-OD1 3.42Å; T417-D426 HydrophobicContact CG2-CB 4.42Å; T417-D426 WeakPolarHBondContact CG2-OD1 3.46Å
418A93.4Very high91.9Very high0 Ų037.3 Ų37.30%020%0.198CC..EExtended strand (participates in β ladder)trans-112.5126178.200000109P339 P342 F364 L378 F379 S424 T425P339-A418 HydrophobicContact CB-CB 4.29Å; P339-A418 WeakPolarHBondContact CG-O 3.42Å; P342-A418 HydrophobicContact CG-CB 3.87Å; F364-A418 HydrophobicContact CE1-CB 3.95Å; F364-A418 HydrophobicContact CZ-CB 4.31Å; L378-A418 WeakPolarHBondContact O-CA 3.49Å; F379-A418 HydrophobicContact CD1-CB 3.76Å; F379-A418 HydrophobicContact CE1-CB 3.73Å; A418-S424 WeakPolarHBondContact O-CA 3.45Å; A418-T425 HydrophobicContact CB-CG2 4.08Å; A418-T425 PolarHBondContact N-O 3.04Å; A418-T425 PolarHBondContact O-N 3.45Å
419Q91.6Very high92.1Very high33 Ų3331.8 Ų31.815%0.15418%0.175CC..EExtended strand (participates in β ladder)trans-144.5144.1-173.461.9-171.2-18.100113.2L153 F154 P377 L378 G423L153-Q419 HydrophobicContact CD2-CG 4.3Å; F154-Q419 HydrophobicContact CB-CB 4.27Å; P377-Q419 CarbonylContact C-O 3.57Å; P377-Q419 VanDerWaalsContact CA-O 3.27Å; P377-Q419 WeakPolarHBondContact CA-O 3.36Å; P377-Q419 WeakPolarHBondContact CB-O 3.49Å; L378-Q419 HydrophobicContact CB-CG 4.26Å; L378-Q419 PolarHBondContact N-O 2.79Å; L378-Q419 PolarHBondContact O-N 3.04Å; Q419-G423 CarbonylContact C-O 3.42Å; Q419-G423 VanDerWaalsContact CA-O 3.28Å; Q419-G423 WeakPolarHBondContact CA-O 3.31Å
420N92.9Very high92.4Very high0 Ų038.8 Ų38.80%020%0.201CC..EExtended strand (participates in β ladder)trans-137.6176.6171.175.4-2.3000109.4A152 F154 A337 P339 P375 P377 L422 G423A152-N420 WeakPolarHBondContact O-CA 3.27Å; F154-N420 WeakPolarHBondContact CA-O 3.49Å; F154-N420 VanDerWaalsContact CB-O 3.24Å; F154-N420 WeakPolarHBondContact CB-O 3.37Å; A337-N420 PolarHBondContact O-ND2 3.3Å; P339-N420 VanDerWaalsContact CD-OD1 3.26Å; P339-N420 WeakPolarHBondContact CD-OD1 3.32Å; P375-N420 HydrophobicContact CG-CB 4.21Å; P375-N420 PolarHBondContact O-ND2 2.66Å; P377-N420 HydrophobicContact CB-CB 4.22Å; N420-L422 PolarHBondContact O-N 3.4Å; N420-L422 WeakPolarHBondContact OD1-CB 3.23Å; N420-L422 PolarHBondContact OD1-N 3.34Å; N420-G423 PolarHBondContact N-O 2.86Å; N420-G423 PolarHBondContact O-N 2.89Å; N420-G423 PolarHBondContact OD1-N 3.38Å; N420-G423 VanDerWaalsContact OD1-N 3.07Å; N420-G423 PolarHBondContact OD1-O 2.98Å
421P91.9Very high92.5Very high6 Ų634.7 Ų34.74%0.03918%0.179CC..THydrogen-bonded Turntrans-55.8-20-179.9-31.239.2000115.7A152 F162 L307 P375A152-P421 HydrophobicContact CB-CG 3.65Å; A152-P421 WeakPolarHBondContact O-CD 3.36Å; F162-P421 HydrophobicContact CD2-CG 4.47Å; L307-P421 HydrophobicContact CD2-CB 3.5Å; P375-P421 HydrophobicContact CG-CG 4.49Å
422L90.4Very high92.7Very high8 Ų837.6 Ų37.64%0.04219%0.188CC..THydrogen-bonded Turntrans-89.8-23.7179.4-65.5160.6000113.2L307 P309 D312 L336 N420L307-L422 HydrophobicContact CD1-CD2 3.93Å; L307-L422 HydrophobicContact CD2-CD2 3.86Å; L307-L422 HydrophobicContact CD2-CG 4.12Å; L307-L422 HydrophobicContact CG-CD2 4.03Å; P309-L422 WeakPolarHBondContact CB-O 3.42Å; D312-L422 HydrophobicContact CB-CD2 4.2Å; L336-L422 HydrophobicContact CB-CD1 3.78Å; N420-L422 PolarHBondContact O-N 3.4Å; N420-L422 WeakPolarHBondContact OD1-CB 3.23Å; N420-L422 PolarHBondContact OD1-N 3.34Å
423G90.6Very high92.7Very high8 Ų837 Ų378%0.08218%0.184CC..EExtended strand (participates in β ladder)trans177.4172.1-177.800000114.8F154 Q419 N420F154-G423 VanDerWaalsContact CD2-CA 3.49Å; Q419-G423 CarbonylContact C-O 3.42Å; Q419-G423 VanDerWaalsContact CA-O 3.28Å; Q419-G423 WeakPolarHBondContact CA-O 3.31Å; N420-G423 PolarHBondContact N-O 2.86Å; N420-G423 PolarHBondContact O-N 2.89Å; N420-G423 PolarHBondContact OD1-N 3.38Å; N420-G423 VanDerWaalsContact OD1-N 3.07Å; N420-G423 PolarHBondContact OD1-O 2.98Å
424S92.1Very high92.4Very high57 Ų5738.5 Ų38.540%0.39919%0.189SC..EExtended strand (participates in β ladder)trans-135138.6177.9-179.30000109.8A418A418-S424 WeakPolarHBondContact O-CA 3.45Å
425T92.1Very high91.9Very high33 Ų3344.9 Ų44.920%0.20222%0.219CC..EExtended strand (participates in β ladder)trans-134.9143.2178.3-171.40000110.4P339 T417 A418P339-T425 HydrophobicContact CB-CG2 3.93Å; P339-T425 HydrophobicContact CG-CG2 4.16Å; P339-T425 WeakPolarHBondContact O-CB 3.45Å; P339-T425 WeakPolarHBondContact O-CG2 3.22Å; T417-T425 WeakPolarHBondContact CA-O 3.37Å; A418-T425 HydrophobicContact CB-CG2 4.08Å; A418-T425 PolarHBondContact N-O 3.04Å; A418-T425 PolarHBondContact O-N 3.45Å
426D93.1Very high91Very high70 Ų7047 Ų4737%0.37424%0.237SC..EExtended strand (participates in β ladder)trans-106.9140.2175.6-66.7-5.9000110R415 T417R415-D426 HydrophobicContact CG-CB 4.25Å; T417-D426 WeakPolarHBondContact CB-OD1 3.42Å; T417-D426 HydrophobicContact CG2-CB 4.42Å; T417-D426 WeakPolarHBondContact CG2-OD1 3.46Å
427T93.1Very high89.7Confident22 Ų2252.6 Ų52.614%0.13527%0.273CS..EExtended strand (participates in β ladder)trans-130.7143.7170.952.80000109.9P342 R415 C416P342-T427 VanDerWaalsContact CD-CG2 3.43Å; P342-T427 HydrophobicContact CG-CG2 3.79Å; P342-T427 WeakPolarHBondContact CG-OG1 3.24Å; P342-T427 WeakPolarHBondContact O-CG2 3.14Å; R415-T427 CarbonylContact C-O 3.58Å; R415-T427 VanDerWaalsContact CA-O 3.3Å; R415-T427 WeakPolarHBondContact CA-O 3.41Å; C416-T427 PolarHBondContact N-O 3.43Å; C416-T427 PolarHBondContact O-N 3.21Å; C416-T427 PolarHBondContact O-OG1 2.94Å; C416-T427 VanDerWaalsContact O-OG1 3.11Å
428H93.3Very high88Confident94 Ų9456.5 Ų56.544%0.43530%0.301SS..EExtended strand (participates in β ladder)trans-121.8140.9-174.3-50.777.1000110.1M413 Y414 R415M413-H428 HydrophobicContact CE-CB 3.63Å; Y414-H428 CarbonylContact O-C 3.58Å; Y414-H428 VanDerWaalsContact O-CA 3.25Å; Y414-H428 WeakPolarHBondContact O-CA 3.35Å; R415-H428 PolarHBondContact NE-NE2 2.91Å
429T93.4Very high85.9Confident31 Ų3165.1 Ų65.119%0.1934%0.343CS..EExtended strand (participates in β ladder)trans-132.7144.9172.7-173.70000110.4L344 I359 M413 Y414L344-T429 HydrophobicContact CD1-CG2 3.93Å; I359-T429 HydrophobicContact CD1-CG2 4.05Å; I359-T429 HydrophobicContact CG2-CG2 3.91Å; M413-T429 WeakPolarHBondContact CA-O 3.3Å; Y414-T429 PolarHBondContact N-O 3.02Å; Y414-T429 PolarHBondContact O-N 3.24Å
430R93.8Very high83.6Confident156 Ų15672.2 Ų72.259%0.58938%0.379SS*.EExtended strand (participates in β ladder)trans-98.7125.5-179.9-165.9173-170-171.6-2.7109.8G411 M413G411-R430 PolarHBondContact O-NE 2.97Å; M413-R430 HydrophobicContact CE-CB 4.4Å; M413-R430 HydrophobicContact SD-CB 3.44Å; M413-R430 WeakPolarHBondContact SD-CB 3.42Å; M413-R430 HydrophobicContact SD-CG 3.61Å
431L91.9Very high81.5Confident0 Ų081.6 Ų81.60%042%0.42CS..  trans-80.6127.7171.9179.763.4000109.8M346 V357 L402 V405 L409 G411 S412 Y414 V433M346-L431 HydrophobicContact SD-CD1 3.81Å; V357-L431 HydrophobicContact CB-CD1 4.49Å; V357-L431 HydrophobicContact CG1-CD1 4.02Å; V357-L431 HydrophobicContact CG2-CD1 4.24Å; L402-L431 HydrophobicContact CD1-CD2 4.13Å; V405-L431 HydrophobicContact CG1-CD2 3.82Å; L409-L431 HydrophobicContact CB-CD2 4.04Å; L409-L431 HydrophobicContact CD1-CD2 4.5Å; G411-L431 VanDerWaalsContact CA-O 3.26Å; G411-L431 WeakPolarHBondContact CA-O 3.46Å; G411-L431 PolarHBondContact N-O 3.15Å; S412-L431 PolarHBondContact O-N 3.36Å; Y414-L431 HydrophobicContact CD2-CB 4.03Å; Y414-L431 HydrophobicContact CE2-CB 3.65Å; Y414-L431 HydrophobicContact CE2-CD2 3.67Å; Y414-L431 HydrophobicContact CE2-CG 4.29Å; L431-V433 HydrophobicContact CD1-CG2 4.34Å; L431-V433 HydrophobicContact CD2-CG2 4.13Å; L431-V433 HydrophobicContact CG-CG2 3.89Å
432I91.5Very high79.1Confident81 Ų8187.1 Ų87.142%0.41545%0.449SS..  trans-119.5119.8176.4-57.4175.6000107.5F434I432-F434 HydrophobicContact CG2-CE2 4.06Å; I432-F434 HydrophobicContact CG2-CZ 3.97Å
433V91.4Very high77.1Confident5 Ų592.5 Ų92.53%0.0348%0.482CS..EExtended strand (participates in β ladder)trans-116.4125.7-177.6-170.10000108.8A351 V353 V405 N410 L431A351-V433 CarbonylContact O-C 3.6Å; A351-V433 WeakPolarHBondContact O-CA 3.24Å; V353-V433 HydrophobicContact CB-CG1 4.46Å; V353-V433 HydrophobicContact CG2-CG1 3.78Å; V405-V433 HydrophobicContact CG1-CG1 4.44Å; V405-V433 HydrophobicContact CG1-CG2 3.56Å; N410-V433 HydrophobicContact CB-CB 4.1Å; N410-V433 HydrophobicContact CB-CG2 4.43Å; N410-V433 PolarHBondContact ND2-O 3.35Å; N410-V433 PolarHBondContact OD1-N 2.81Å; L431-V433 HydrophobicContact CD1-CG2 4.34Å; L431-V433 HydrophobicContact CD2-CG2 4.13Å; L431-V433 HydrophobicContact CG-CG2 3.89Å
434F88.7Confident74.9Confident97 Ų9799.3 Ų99.343%0.42551%0.512SS..EExtended strand (participates in β ladder)trans-92.7120.7177.7-64.4-81.9000110R350 A351 K352 V353 I432R350-F434 HydrophobicContact CB-CD2 4.12Å; R350-F434 HydrophobicContact CB-CE2 3.92Å; R350-F434 HydrophobicContact CG-CE2 4.07Å; A351-F434 WeakPolarHBondContact O-CD2 3.42Å; A351-F434 PolarHBondContact O-N 3.16Å; K352-F434 VanDerWaalsContact CA-O 3.3Å; K352-F434 WeakPolarHBondContact CA-O 3.03Å; V353-F434 PolarHBondContact N-O 3.11Å; I432-F434 HydrophobicContact CG2-CE2 4.06Å; I432-F434 HydrophobicContact CG2-CZ 3.97Å
435E83.5Confident72.7Confident134 Ų134103.2 Ų103.263%0.62653%0.528SS*.PPolyproline II helixtrans-89.8136.2169.8-169.4169.7-161.600109.4V353V353-E435 HydrophobicContact CG2-CB 4.1Å; V353-E435 HydrophobicContact CG2-CG 4.25Å
436N75.1Confident70.4Confident131 Ų131107.4 Ų107.470%0.70156%0.556SS**PPolyproline II helixtrans-81.4124.2172.2-126.99.1000107.2S438N436-S438 PolarHBondContact O-N 3.49Å
437P67.8Low67.9Low118 Ų118110.6 Ų110.677%0.76657%0.573SS**  trans-60.5112.3-177.821.7-30.3000109.4M439P437-M439 PolarHBondContact O-N 2.85Å
438S56.9Low65.1Low102 Ų102116.8 Ų116.871%0.71361%0.605SS**  trans-71.7108.5168.349.60000106.9N436 M440N436-S438 PolarHBondContact O-N 3.49Å; S438-M440 PolarHBondContact O-N 3.02Å
439M47.8Very low62.2Low181 Ų181121.1 Ų121.189%0.89263%0.626SS**  trans-58.8113.7167-76.3-141.7-67.200107.2P437 K441P437-M439 PolarHBondContact O-N 2.85Å; M439-K441 VanDerWaalsContact C-N 3.33Å; M439-K441 PolarHBondContact O-N 3.39Å
440M45Very low59.4Low183 Ų183123.6 Ų123.690%0.90165%0.65SS**  trans-52.4102.3164.6-90.6175161.400107.2S438 N442S438-M440 PolarHBondContact O-N 3.02Å; M440-N442 PolarHBondContact O-N 3.1Å
441K48.9Very low56.3Low197 Ų197122.9 Ų122.986%0.85766%0.663SS**  trans-68.891.4165.9-129179-176.7-179.20105M439 T443M439-K441 VanDerWaalsContact C-N 3.33Å; M439-K441 PolarHBondContact O-N 3.39Å; K441-T443 PolarHBondContact O-N 3.15Å
442N39.8Very low53.4Low122 Ų122133.6 Ų133.665%0.65270%0.703SS**  trans-66.986.2176.2-164.321.4000107.5M440 Q444M440-N442 PolarHBondContact O-N 3.1Å; N442-Q444 PolarHBondContact O-N 2.86Å
443T48.8Very low50.4Low121 Ų121135 Ų13574%0.74272%0.716SS**  trans-77.573.9169.8-43.60000107.4K441 N445K441-T443 PolarHBondContact O-N 3.15Å; T443-N445 PolarHBondContact O-N 2.89Å
444Q45.3Very low47.4Very low150 Ų150141.3 Ų141.370%0.70175%0.745SS**  trans-74.1107.2160-82177.7-3.900107.3N442 P446N442-Q444 PolarHBondContact O-N 2.86Å; Q444-P446 WeakPolarHBondContact O-CD 3.19Å
445N46.5Very low44.6Very low140 Ų140144.5 Ų144.575%0.74976%0.759SS**  trans-65.8135.9154.4-91.2-11.1000109T443T443-N445 PolarHBondContact O-N 2.89Å
446P43.8Very low42.2Very low120 Ų120150.1 Ų150.178%0.77977%0.774SS**  trans-120.1129.5140.59.611.6000110.6Q444Q444-P446 WeakPolarHBondContact O-CD 3.19Å
447N39.1Very low40.1Very low138 Ų138147.4 Ų147.474%0.73878%0.777SS**  trans-66.5152.8173.5-72.9-29.6000112.2
448N34.4Very low38.8Very low151 Ų151149.6 Ų149.681%0.80778%0.781SS**  trans27.6128.3148-60.9-10.5000118.6
449E32.2Very low37.7Very low186 Ų186151.1 Ų151.187%0.86979%0.787SS**  -168.9145.159.6-138.1167.1-173.400112.5
450A34.2Very low37.3Very low83 Ų83154 Ų15469%0.68679%0.788SS**  trans21.6123.4157.400000122.6
451T29.3Very low36.9Very low141 Ų141153.4 Ų153.487%0.86579%0.787SS**  -176.4123.494.128.60000113.7
452R30.8Very low36.5Very low224 Ų224147.9 Ų147.985%0.84578%0.778SS**  trans1.8144.7150.3-140.5178.7-174.1-177.10.7121.8
453T29Very low36.3Very low112 Ų112149.8 Ų149.869%0.68779%0.788SS**  trans71.6141.715136.60000117.3
454E28.7Very low35.9Very low136 Ų136150.2 Ų150.264%0.63679%0.79SS**  cis-168.5149.6-7-138.7-173.1150.800106.4
455K30.7Very low35.5Very low165 Ų165150.1 Ų150.172%0.71779%0.793SS**  trans47.1124.8146.2-76170.1-174.7157.30122.6
456R31.6Very low35.2Very low251 Ų251149.3 Ų149.395%0.94779%0.794SS**  trans56.7121.7132.4-97.5178173.4177.1-1.4118.9
457G31.6Very low35Very low74 Ų74149.7 Ų149.776%0.76379%0.794SS**  trans17393.9156.100000114
458L40.3Very low35.2Very low165 Ų165149.6 Ų149.686%0.86480%0.798SS**  trans-62.4132.2160.9-163.884.8000108.6
459T33.3Very low35.6Very low134 Ų134148.4 Ų148.482%0.82280%0.796SS**  trans-167.7123.714915.80000111.2
460W40.2Very low35.8Very low241 Ų241142.2 Ų142.291%0.91378%0.782SS**  trans-69.9139.6162.7-87.269.4000109.8
461L36.5Very low35.9Very low170 Ų170146.4 Ų146.489%0.8979%0.792SS**  trans-154.5116.6153.8-107.2148.2000110.1
462A40.2Very low36.3Very low81 Ų81149.6 Ų149.667%0.66981%0.812SS**  trans-65.2141.117200000110.7
463L35.8Very low36.6Very low162 Ų162145.9 Ų145.985%0.84881%0.81SS**  trans-120.8109.3162.8-141.1115.1000108.5
464V40.8Very low37Very low130 Ų130147.6 Ų147.679%0.78882%0.816SS**PPolyproline II helixtrans-73.1118.4172.9173.60000107.6
465L37Very low37.4Very low148 Ų148148.3 Ų148.378%0.77583%0.827SS**PPolyproline II helixtrans-95.7117.3167.5-105.3151.2000108.7
466T38.7Very low37.8Very low123 Ų123147.3 Ų147.376%0.75583%0.833SS**PPolyproline II helixtrans-61.4122.5170.937.50000110.4
467V40Very low38.2Very low129 Ų129140.8 Ų140.878%0.78283%0.826SS**  trans-100.2111.2167.3173.70000108V469V467-V469 HydrophobicContact CG1-CG2 3.93Å
468T43.7Very low38.6Very low135 Ų135145.3 Ų145.383%0.82883%0.83SS**  trans-78.5118.7162.637.80000109
469V42.1Very low38.5Very low126 Ų126143.9 Ų143.976%0.76483%0.828SS**  trans-133.3115.7157.5176.50000107.1V467V467-V469 HydrophobicContact CG1-CG2 3.93Å
470G37.5Very low38.9Very low57 Ų57144.6 Ų144.659%0.58883%0.828SS**  trans-95.8176.8165.300000111.2
471L35.5Very low38.8Very low171 Ų171136.6 Ų136.690%0.89582%0.821SS**  trans74.7115.4-179.8-66.5109.3000112.3
472T38Very low39Very low207 Ų207133.5 Ų133.5100%1.2782%0.815SS**  cis-158.6023.729.60000109.3

Retrieved 472 of 472 residues in 119.9 ms (Link to these results)