UBXN6_MOUSE Loading...

Isoform 2 of UBX domain-containing protein 6 AlphaSync

Canonical isoform description: May negatively regulate the ATPase activity of VCP, an ATP-driven segregase that associates with different cofactors to control a wide variety of cellular processes. As a cofactor of VCP, it may play a role in the transport of CAV1 to lysosomes for degradation. It may also play a role in endoplasmic reticulum-associated degradation (ERAD) of misfolded proteins. Together with VCP and other cofactors, it may play a role in macroautophagy, regulating for instance the clearance of damaged lysosomes.

AlphaFold DB , UniProt , Accession Q99PL6-2 (canonical: Q99PL6), Species MOUSE (Mus musculus, Mouse), Gene Ubxn6, Length 389 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
1M60.3Low66.5Low223 Ų223111.4 Ų111.4100%1.09965%0.651SS**  0-38.50-89.1-172.3-112.600114.2A3 A4M1-A3 PolarHBondContact O-N 3.34Å; M1-A4 PolarHBondContact O-N 2.61Å
2A63.6Low66Low87 Ų87116.5 Ų116.572%0.71966%0.664SS**Hα-helixtrans-63.4-34.1179.800000115A5 A6A2-A5 PolarHBondContact O-N 3.01Å; A2-A6 PolarHBondContact O-N 2.85Å
3A62.4Low64.9Low76 Ų76120.5 Ų120.563%0.62867%0.669SS**Hα-helixtrans-67.3-35.1178.800000113.4M1 A6 L7M1-A3 PolarHBondContact O-N 3.34Å; A3-A6 PolarHBondContact O-N 3.12Å; A3-L7 PolarHBondContact O-N 2.91Å
4A70.6Confident63.9Low69 Ų69123.5 Ų123.557%0.5768%0.676SS**Hα-helixtrans-69.6-34176.800000112M1 A6 L7 A8M1-A4 PolarHBondContact O-N 2.61Å; A4-A6 VanDerWaalsContact C-N 3.33Å; A4-A6 PolarHBondContact O-N 3Å; A4-L7 PolarHBondContact O-N 3.31Å; A4-A8 PolarHBondContact O-N 3.33Å; A4-A8 VanDerWaalsContact O-N 3.15Å
5A71.4Confident62.3Low60 Ų60123.9 Ų123.950%0.49669%0.687SS.*Hα-helixtrans-69.8-28.2175.200000113A2A2-A5 PolarHBondContact O-N 3.01Å
6A69.1Low61.2Low56 Ų56130.8 Ų130.846%0.46370%0.699SS.*Hα-helixtrans-74-38.4175.500000112.3A2 A3 A4 R9A2-A6 PolarHBondContact O-N 2.85Å; A3-A6 PolarHBondContact O-N 3.12Å; A4-A6 VanDerWaalsContact C-N 3.33Å; A4-A6 PolarHBondContact O-N 3Å; A6-R9 PolarHBondContact O-N 2.73Å
7L70.5Confident60.2Low114 Ų114128.9 Ų128.960%0.59771%0.706SS**Hα-helixtrans-70.5-39.1177.1-69.9173.1000112.3A3 A4 R9 L10 E11A3-L7 PolarHBondContact O-N 2.91Å; A4-L7 PolarHBondContact O-N 3.31Å; L7-R9 PolarHBondContact O-N 3.13Å; L7-R9 VanDerWaalsContact O-N 3.17Å; L7-L10 PolarHBondContact O-N 3.3Å; L7-E11 PolarHBondContact O-N 3.3Å; L7-E11 VanDerWaalsContact O-N 3.16Å
8A72.8Confident59.2Low52 Ų52135.3 Ų135.343%0.4372%0.718SS.*Hα-helixtrans-60.8-26.2174.900000113.3A4A4-A8 PolarHBondContact O-N 3.33Å; A4-A8 VanDerWaalsContact O-N 3.15Å
9R64.3Low58.8Low206 Ų206130.8 Ų130.878%0.77771%0.707SS**Hα-helixtrans-78.7-21.8174.8-76.3-178.2169.7169.1-1.3113.8A6 L7A6-R9 PolarHBondContact O-N 2.73Å; L7-R9 PolarHBondContact O-N 3.13Å; L7-R9 VanDerWaalsContact O-N 3.17Å
10L61.3Low58.5Low116 Ų116129.9 Ų129.961%0.60771%0.708SS**Hα-helixtrans-85.1-36.2176.4-85.2158.9000111.7L7 K13L7-L10 PolarHBondContact O-N 3.3Å; L10-K13 PolarHBondContact O-N 3.38Å
11E65Low58.4Low166 Ų166127.7 Ų127.778%0.77670%0.699SS**Hα-helixtrans-74.2-23.9-179.6-75.7-174.7144.900114.3L7 K13L7-E11 PolarHBondContact O-N 3.3Å; L7-E11 VanDerWaalsContact O-N 3.16Å; E11-K13 PolarHBondContact O-N 3.02Å
12Q60.8Low58.8Low173 Ų173121.3 Ų121.381%0.80868%0.676SS**THydrogen-bonded Turntrans-75.4-3.4173.6-75-175-5.800114.1Q14Q12-Q14 PolarHBondContact O-N 3.17Å
13K52Low58.9Low168 Ų168123.2 Ų123.273%0.7367%0.67SS**  trans-79.764.4170.6-77.2-177.2172.3179.40111.3L10 E11L10-K13 PolarHBondContact O-N 3.38Å; E11-K13 PolarHBondContact O-N 3.02Å
14Q50.3Low59.2Low163 Ų163122.5 Ų122.576%0.76266%0.656SS**  trans-76.4146.9155.8-87-171.71.100110.1Q12 R16Q12-Q14 PolarHBondContact O-N 3.17Å; Q14-R16 PolarHBondContact O-N 3.19Å
15P40.8Very low59.3Low129 Ų129122.6 Ų122.684%0.83865%0.653SS**  trans-76.288.5-166.531.7-33.4000110.1A17P15-A17 PolarHBondContact O-N 3.42Å
16R43.8Very low59.4Low235 Ų235124.7 Ų124.789%0.88765%0.654SS**  trans-67118.9164.2-72.8-173.2175.4-175.7-1.1107.7Q14 R18Q14-R16 PolarHBondContact O-N 3.19Å; R16-R18 PolarHBondContact O-N 2.91Å; R16-R18 VanDerWaalsContact O-N 3.14Å
17A44.4Very low59.7Low98 Ų98130 Ų13081%0.8166%0.662SS**  trans-37.9119.3173.100000109.8P15 G19P15-A17 PolarHBondContact O-N 3.42Å; A17-G19 VanDerWaalsContact C-N 3.34Å; A17-G19 PolarHBondContact O-N 3.19Å
18R42.7Very low59.9Low244 Ų244129.7 Ų129.792%0.92166%0.661SS**  trans-6198.1179.7-82-179.6176.1169.3-1108R16R16-R18 PolarHBondContact O-N 2.91Å; R16-R18 VanDerWaalsContact O-N 3.14Å
19G52Low60.3Low50 Ų50132.7 Ų132.752%0.51567%0.667SS.*PPolyproline II helixtrans-56.4155161.700000109.5A17 T21A17-G19 VanDerWaalsContact C-N 3.34Å; A17-G19 PolarHBondContact O-N 3.19Å; G19-T21 PolarHBondContact O-N 2.94Å
20P51.1Low60.9Low113 Ų113126.4 Ų126.473%0.73465%0.651SS**PPolyproline II helixtrans-54.2118.2-173.521.7-31.4000109.6D24P20-D24 HydrophobicContact CB-CB 4.24Å
21T58Low61.7Low84 Ų84128.8 Ų128.852%0.51565%0.652SS.*PPolyproline II helixtrans-57.9149.4178.3-40000109.2G19 Q23 D24 S25G19-T21 PolarHBondContact O-N 2.94Å; T21-Q23 PolarHBondContact O-N 3.11Å; T21-D24 WeakPolarHBondContact O-CB 3.42Å; T21-D24 PolarHBondContact O-N 3.07Å; T21-D24 PolarHBondContact OG1-OD2 3.37Å; T21-D24 VanDerWaalsContact OG1-OD2 3.07Å; T21-S25 PolarHBondContact O-N 3.4Å
22S67.5Low62.3Low89 Ų89128.6 Ų128.662%0.62265%0.648SS**Hα-helixtrans-51.2-28.2179.558.90000113.5S25 I26S22-S25 PolarHBondContact O-N 3.2Å; S22-I26 WeakPolarHBondContact O-CD1 3.13Å; S22-I26 VanDerWaalsContact O-CG1 3.23Å; S22-I26 WeakPolarHBondContact O-CG1 3.39Å; S22-I26 PolarHBondContact O-N 3.39Å
23Q67.3Low63.1Low126 Ų126125.8 Ų125.859%0.58964%0.635SS**Hα-helixtrans-63.4-36.9171.8-82.3-169.7-13.800114.3T21 I26 R27T21-Q23 PolarHBondContact O-N 3.11Å; Q23-I26 PolarHBondContact O-N 3.47Å; Q23-R27 WeakPolarHBondContact O-CB 2.93Å; Q23-R27 WeakPolarHBondContact O-CG 3.47Å; Q23-R27 PolarHBondContact O-N 3.31Å
24D68.7Low64.2Low62 Ų62123 Ų12333%0.33263%0.627SS.*Hα-helixtrans-72.2-35.2178-64.7-48.5000111.1P20 T21 R27 N28P20-D24 HydrophobicContact CB-CB 4.24Å; T21-D24 WeakPolarHBondContact O-CB 3.42Å; T21-D24 PolarHBondContact O-N 3.07Å; T21-D24 PolarHBondContact OG1-OD2 3.37Å; T21-D24 VanDerWaalsContact OG1-OD2 3.07Å; D24-R27 PolarHBondContact O-N 3.42Å; D24-N28 WeakPolarHBondContact O-CB 3.27Å; D24-N28 PolarHBondContact O-N 3.29Å; D24-N28 PolarHBondContact O-ND2 3.17Å
25S71.6Confident65.3Low71 Ų71120.9 Ų120.950%0.49762%0.618SS.*Hα-helixtrans-65.2-41.6172.6-164.40000111.4T21 S22 N28 Q29T21-S25 PolarHBondContact O-N 3.4Å; S22-S25 PolarHBondContact O-N 3.2Å; S25-N28 PolarHBondContact O-N 3.38Å; S25-Q29 WeakPolarHBondContact O-CB 3.47Å; S25-Q29 PolarHBondContact O-N 3.1Å
26I73.5Confident66.8Low103 Ų103117 Ų11753%0.52860%0.597SS.*Hα-helixtrans-65.9-45.3177.6-66.9161.1000110.4S22 Q23 N28 Q29 V30S22-I26 WeakPolarHBondContact O-CD1 3.13Å; S22-I26 VanDerWaalsContact O-CG1 3.23Å; S22-I26 WeakPolarHBondContact O-CG1 3.39Å; S22-I26 PolarHBondContact O-N 3.39Å; Q23-I26 PolarHBondContact O-N 3.47Å; I26-N28 PolarHBondContact O-N 2.94Å; I26-Q29 PolarHBondContact O-N 3.32Å; I26-V30 HydrophobicContact CG2-CG2 4.5Å; I26-V30 WeakPolarHBondContact O-CG2 3.41Å; I26-V30 PolarHBondContact O-N 3.38Å
27R74.4Confident67.9Low168 Ų168112.4 Ų112.463%0.63459%0.585SS**Hα-helixtrans-62.3-40.9177.6-77.4176.4176-179.6-0.4112.5Q23 D24 R31Q23-R27 WeakPolarHBondContact O-CB 2.93Å; Q23-R27 WeakPolarHBondContact O-CG 3.47Å; Q23-R27 PolarHBondContact O-N 3.31Å; D24-R27 PolarHBondContact O-N 3.42Å; R27-R31 WeakPolarHBondContact O-CB 3.43Å; R27-R31 PolarHBondContact O-N 3.41Å
28N76.4Confident68.8Low108 Ų108110.5 Ų110.558%0.57857%0.57SS**Hα-helixtrans-68.4-35.9177.5-78-22000112.1D24 S25 I26 R31 K32D24-N28 WeakPolarHBondContact O-CB 3.27Å; D24-N28 PolarHBondContact O-N 3.29Å; D24-N28 PolarHBondContact O-ND2 3.17Å; S25-N28 PolarHBondContact O-N 3.38Å; I26-N28 PolarHBondContact O-N 2.94Å; N28-R31 PolarHBondContact O-N 3.28Å; N28-K32 VanDerWaalsContact O-CB 3.28Å; N28-K32 WeakPolarHBondContact O-CB 3.42Å; N28-K32 PolarHBondContact O-N 3.11Å
29Q79.6Confident69.6Low115 Ų115103.9 Ų103.954%0.53756%0.556SS.*Hα-helixtrans-67.9-46177.2-163.9156.6-2.700111.5S25 I26 R31 K32 E33S25-Q29 WeakPolarHBondContact O-CB 3.47Å; S25-Q29 PolarHBondContact O-N 3.1Å; I26-Q29 PolarHBondContact O-N 3.32Å; Q29-R31 VanDerWaalsContact C-N 3.34Å; Q29-R31 PolarHBondContact O-N 2.78Å; Q29-K32 PolarHBondContact O-N 3.26Å; Q29-K32 VanDerWaalsContact O-N 3.17Å; Q29-E33 WeakPolarHBondContact O-CG 3.14Å; Q29-E33 PolarHBondContact O-N 2.88Å
30V78.8Confident69.8Low73 Ų73106.4 Ų106.444%0.44257%0.566SS.*Hα-helixtrans-60.7-41.6174.4173.70000111.7I26 K32 E33 L34I26-V30 HydrophobicContact CG2-CG2 4.5Å; I26-V30 WeakPolarHBondContact O-CG2 3.41Å; I26-V30 PolarHBondContact O-N 3.38Å; V30-K32 VanDerWaalsContact C-N 3.34Å; V30-K32 PolarHBondContact O-N 3.37Å; V30-E33 PolarHBondContact O-N 3.02Å; V30-L34 HydrophobicContact CG1-CD1 4.06Å; V30-L34 WeakPolarHBondContact O-CB 3.45Å; V30-L34 WeakPolarHBondContact O-CG 3.47Å; V30-L34 PolarHBondContact O-N 3.35Å
31R76.7Confident69.8Low167 Ų167105.3 Ų105.363%0.6356%0.561SS**Hα-helixtrans-66.2-36.7177.3-170.8176.4-176.3167.62.6112.2R27 N28 Q29 Q35R27-R31 WeakPolarHBondContact O-CB 3.43Å; R27-R31 PolarHBondContact O-N 3.41Å; N28-R31 PolarHBondContact O-N 3.28Å; Q29-R31 VanDerWaalsContact C-N 3.34Å; Q29-R31 PolarHBondContact O-N 2.78Å; R31-Q35 WeakPolarHBondContact O-CB 3.42Å; R31-Q35 WeakPolarHBondContact O-CG 3.35Å; R31-Q35 PolarHBondContact O-N 2.74Å
32K78.3Confident69.1Low162 Ų162107.6 Ų107.670%0.70457%0.57SS**Hα-helixtrans-71.5-37.6179.1-165.6176.2-178.4-1770111.7N28 Q29 V30 A36N28-K32 VanDerWaalsContact O-CB 3.28Å; N28-K32 WeakPolarHBondContact O-CB 3.42Å; N28-K32 PolarHBondContact O-N 3.11Å; Q29-K32 PolarHBondContact O-N 3.26Å; Q29-K32 VanDerWaalsContact O-N 3.17Å; V30-K32 VanDerWaalsContact C-N 3.34Å; V30-K32 PolarHBondContact O-N 3.37Å; K32-A36 WeakPolarHBondContact O-CB 3.48Å; K32-A36 PolarHBondContact O-N 3.32Å
33E78.2Confident67.9Low113 Ų113110.8 Ų110.853%0.52858%0.58SS.*Hα-helixtrans-67.2-46.5174.3-73.9172.5-176.700111.7Q29 V30 Q35 A36 E37Q29-E33 WeakPolarHBondContact O-CG 3.14Å; Q29-E33 PolarHBondContact O-N 2.88Å; V30-E33 PolarHBondContact O-N 3.02Å; E33-Q35 VanDerWaalsContact C-N 3.31Å; E33-Q35 PolarHBondContact O-N 2.59Å; E33-A36 PolarHBondContact O-N 3.03Å; E33-A36 VanDerWaalsContact O-N 3.13Å; E33-E37 PolarHBondContact O-N 3.42Å
34L74.5Confident66.4Low109 Ų109110.7 Ų110.757%0.57159%0.59SS**Hα-helixtrans-62-36.2175.7-74.4171.2000113.2V30 A38V30-L34 HydrophobicContact CG1-CD1 4.06Å; V30-L34 WeakPolarHBondContact O-CB 3.45Å; V30-L34 WeakPolarHBondContact O-CG 3.47Å; V30-L34 PolarHBondContact O-N 3.35Å; L34-A38 WeakPolarHBondContact O-CB 3.39Å; L34-A38 PolarHBondContact O-N 3.18Å
35Q73.4Confident64.6Low119 Ų119111.3 Ų111.356%0.55661%0.612SS**Hα-helixtrans-70.5-39.3174-82-176.2-23.100111.8R31 E33 A38 T39R31-Q35 WeakPolarHBondContact O-CB 3.42Å; R31-Q35 WeakPolarHBondContact O-CG 3.35Å; R31-Q35 PolarHBondContact O-N 2.74Å; E33-Q35 VanDerWaalsContact C-N 3.31Å; E33-Q35 PolarHBondContact O-N 2.59Å; Q35-A38 PolarHBondContact O-N 2.87Å; Q35-T39 PolarHBondContact O-N 3.33Å; Q35-T39 PolarHBondContact O-OG1 3.33Å
36A72.6Confident63.1Low48 Ų48112.3 Ų112.340%0.39763%0.625SS.*Hα-helixtrans-64.4-39177.100000112.3K32 E33 A38 T39 S40K32-A36 WeakPolarHBondContact O-CB 3.48Å; K32-A36 PolarHBondContact O-N 3.32Å; E33-A36 PolarHBondContact O-N 3.03Å; E33-A36 VanDerWaalsContact O-N 3.13Å; A36-A38 VanDerWaalsContact C-N 3.34Å; A36-T39 PolarHBondContact O-N 2.78Å; A36-S40 VanDerWaalsContact O-CB 3.3Å; A36-S40 WeakPolarHBondContact O-CB 3.34Å; A36-S40 PolarHBondContact O-N 3.08Å; A36-S40 PolarHBondContact O-OG 3.18Å
37E66.7Low61.3Low138 Ų138114.2 Ų114.265%0.64564%0.644SS**Hα-helixtrans-66.6-35.3174-71.7-176.4167.500112.5E33 S41E33-E37 PolarHBondContact O-N 3.42Å; E37-S41 PolarHBondContact O-N 3.14Å; E37-S41 PolarHBondContact O-OG 2.81Å
38A63.2Low59.4Low59 Ų59109 Ų10949%0.48864%0.642SS.*Hα-helixtrans-73.1-29176.600000113.6L34 Q35 A36 S41L34-A38 WeakPolarHBondContact O-CB 3.39Å; L34-A38 PolarHBondContact O-N 3.18Å; Q35-A38 PolarHBondContact O-N 2.87Å; A36-A38 VanDerWaalsContact C-N 3.34Å; A38-S41 PolarHBondContact O-OG 3.42Å
39T59.3Low57.3Low104 Ų104110.6 Ų110.664%0.63866%0.656SS**Hα-helixtrans-87.1-28.9173.726.60000113.4Q35 A36 S41 N42Q35-T39 PolarHBondContact O-N 3.33Å; Q35-T39 PolarHBondContact O-OG1 3.33Å; A36-T39 PolarHBondContact O-N 2.78Å; T39-S41 PolarHBondContact O-N 3.03Å; T39-N42 PolarHBondContact O-N 3.07Å
40S56.5Low55Low104 Ų104112.1 Ų112.173%0.72767%0.668SS**Hα-helixtrans-72.3-15.7175-740000113.8A36 N42A36-S40 VanDerWaalsContact O-CB 3.3Å; A36-S40 WeakPolarHBondContact O-CB 3.34Å; A36-S40 PolarHBondContact O-N 3.08Å; A36-S40 PolarHBondContact O-OG 3.18Å; S40-N42 VanDerWaalsContact C-N 3.33Å
41S51.1Low52.8Low89 Ų89114 Ų11462%0.62268%0.684SS**THydrogen-bonded Turntrans-87.23.2174.837.10000114E37 A38 T39E37-S41 PolarHBondContact O-N 3.14Å; E37-S41 PolarHBondContact O-OG 2.81Å; A38-S41 PolarHBondContact O-OG 3.42Å; T39-S41 PolarHBondContact O-N 3.03Å
42N42.6Very low50.9Low133 Ų133112.1 Ų112.171%0.71169%0.691SS**  trans-125.139.3-171.5-103.4-10.9000114.5T39 S40 P44T39-N42 PolarHBondContact O-N 3.07Å; S40-N42 VanDerWaalsContact C-N 3.33Å; N42-P44 WeakPolarHBondContact O-CD 3.46Å
43N42.4Very low48.6Very low155 Ų155109.8 Ų109.883%0.82969%0.692SS**  trans-107.7108.3176.3-135.712.6000111.8
44P35.4Very low46.3Very low124 Ų124112.3 Ų112.381%0.80570%0.704SS**  trans-88.1104.5174.733-26.5000109.3N42N42-P44 WeakPolarHBondContact O-CD 3.46Å
45G32.3Very low44.2Very low76 Ų76112.8 Ų112.878%0.78471%0.713SS**  trans155.394.6167.600000116.4
46A39.9Very low42Very low92 Ų92116 Ų11676%0.7673%0.726SS**  trans-174.3130.2138.200000109.2G48A46-G48 PolarHBondContact O-N 3.47Å; A46-G48 VanDerWaalsContact O-N 3.08Å
47P34.8Very low40.5Very low143 Ų143121.8 Ų121.893%0.92974%0.744SS**  trans-81.190.5176.232.6-28.5000108.5
48G35.4Very low38.8Very low58 Ų58123.5 Ų123.560%0.59875%0.753SS**  trans-125.9106.5174.700000109A46 N50A46-G48 PolarHBondContact O-N 3.47Å; A46-G48 VanDerWaalsContact O-N 3.08Å; G48-N50 VanDerWaalsContact C-N 3.3Å; G48-N50 PolarHBondContact O-N 2.92Å
49T31.2Very low38Very low142 Ų142126.5 Ų126.587%0.87176%0.759SS**  trans-5389172.9-560000110.7
50N32.8Very low37.6Very low147 Ų147125.2 Ų125.279%0.78675%0.754SS**  trans-131.787163.6-86.7-26.8000106.3G48 V52G48-N50 VanDerWaalsContact C-N 3.3Å; G48-N50 PolarHBondContact O-N 2.92Å; N50-V52 VanDerWaalsContact C-N 3.27Å; N50-V52 PolarHBondContact O-N 3.5Å
51S31.7Very low37.5Very low112 Ų112126 Ų12678%0.78376%0.757SS**  trans-59.994.7163.951.30000107.8P53S51-P53 WeakPolarHBondContact O-CD 3.43Å
52V36Very low37.9Very low127 Ų127129.4 Ų129.477%0.7776%0.763SS**  trans-56.6117.8157.5175.70000104.2N50 E54N50-V52 VanDerWaalsContact C-N 3.27Å; N50-V52 PolarHBondContact O-N 3.5Å; V52-E54 PolarHBondContact O-N 3.41Å
53P31Very low39.1Very low114 Ų114128.4 Ų128.474%0.7476%0.757SS**  trans-62.7114.6172.8-5.319.5000105.1S51S51-P53 WeakPolarHBondContact O-CD 3.43Å
54E28.7Very low40.3Very low166 Ų166123.5 Ų123.578%0.77674%0.738SS**  trans-45.6136.2156.6-79.8-178.2143.500106.5V52 K56V52-E54 PolarHBondContact O-N 3.41Å; E54-K56 VanDerWaalsContact C-N 3.27Å; E54-K56 PolarHBondContact O-N 2.9Å
55P30.7Very low42.3Very low118 Ų118118.8 Ų118.877%0.76671%0.707SS**  trans-59104.7172.326.1-29.3000105.1E57P55-E57 PolarHBondContact O-N 2.83Å
56K28.2Very low44.5Very low187 Ų187118.7 Ų118.781%0.81369%0.692SS**  trans-57.4103.4164.5-72.7178.9178.5178.50103E54 E58E54-K56 VanDerWaalsContact C-N 3.27Å; E54-K56 PolarHBondContact O-N 2.9Å; K56-E58 PolarHBondContact O-N 3.02Å
57E40.1Very low46.6Very low169 Ų169115.8 Ų115.879%0.7967%0.671SS**  trans-60.191.7165.5-73.9-173162.700104.5P55 I59P55-E57 PolarHBondContact O-N 2.83Å; E57-I59 HydrophobicContact CB-CG1 4.47Å; E57-I59 PolarHBondContact O-N 2.85Å
58E32.4Very low49.2Very low175 Ų175111.1 Ų111.182%0.81864%0.64SS**  trans-65.581.2166-77.5-176.4166.600105.5K56 S60K56-E58 PolarHBondContact O-N 3.02Å; E58-S60 VanDerWaalsContact C-N 3.3Å; E58-S60 PolarHBondContact O-N 3.02Å
59I44.9Very low51.9Low121 Ų121109.9 Ų109.962%0.62162%0.618SS**  trans-58.4103.2167.4-60.1167.3000104E57 L63E57-I59 HydrophobicContact CB-CG1 4.47Å; E57-I59 PolarHBondContact O-N 2.85Å; I59-L63 HydrophobicContact CG2-CD2 4.06Å
60S51.8Low54.8Low78 Ų78103.1 Ų103.155%0.54558%0.576SS.*  trans-53.1130.1178.7-55.70000108E58 H62E58-S60 VanDerWaalsContact C-N 3.3Å; E58-S60 PolarHBondContact O-N 3.02Å; S60-H62 PolarHBondContact O-N 2.83Å
61P54.3Low57.7Low120 Ų12098.7 Ų98.778%0.77955%0.552SS**SBendtrans-62.4-15.8-178.623.5-32.4000112.4L63P61-L63 PolarHBondContact O-N 3.04Å
62H58.7Low60.5Low160 Ų16093.3 Ų93.374%0.74152%0.515SS*.  trans-95.865.8178.8-55.8-71.7000111.8S60 A64S60-H62 PolarHBondContact O-N 2.83Å; H62-A64 PolarHBondContact O-N 3.45Å
63L68Low63.1Low112 Ų11290.8 Ų90.859%0.58650%0.501SS*.  trans-65.9128.9172.9-65.7174.7000110.3I59 P61 V65I59-L63 HydrophobicContact CG2-CD2 4.06Å; P61-L63 PolarHBondContact O-N 3.04Å; L63-V65 PolarHBondContact O-N 3.38Å
64A68.8Low65.8Low53 Ų5388.3 Ų88.344%0.43848%0.481SS..SBendtrans-63.6-24178.400000113.6H62 L285 Q297H62-A64 PolarHBondContact O-N 3.45Å; A64-L285 HydrophobicContact CB-CD2 3.83Å; A64-Q297 PolarHBondContact O-NE2 3.34Å
65V76.6Confident68.7Low25 Ų2583.5 Ų83.515%0.15246%0.463CS..SBendtrans-145.2139.8174.7-169.60000107.9L63 G67 Q220 L285L63-V65 PolarHBondContact O-N 3.38Å; V65-G67 WeakPolarHBondContact CG1-O 3.49Å; V65-G67 PolarHBondContact O-N 3.12Å; V65-G67 VanDerWaalsContact O-N 3.14Å; V65-Q220 VanDerWaalsContact CG1-OE1 3.32Å; V65-L285 HydrophobicContact CG2-CD1 3.53Å; V65-L285 HydrophobicContact CG2-CD2 3.94Å; V65-L285 HydrophobicContact CG2-CG 4.38Å
66P79Confident71.5Confident74 Ų7480.4 Ų80.448%0.48145%0.453SS..SBendtrans-66-12.5179.325-35.1000114.4F69P66-F69 HydrophobicContact CG-CE2 4.1Å; P66-F69 HydrophobicContact CG-CZ 4.39Å
67G84.6Confident74.5Confident30 Ų3074.5 Ų74.531%0.30943%0.432SS..  trans161.5-173179.900000112.6V65 F69 Q220V65-G67 WeakPolarHBondContact CG1-O 3.49Å; V65-G67 PolarHBondContact O-N 3.12Å; V65-G67 VanDerWaalsContact O-N 3.14Å; G67-F69 WeakPolarHBondContact O-CD2 3.49Å; G67-Q220 PolarHBondContact O-OE1 3.27Å
68V88.5Confident76.9Confident45 Ų4569.7 Ų69.727%0.27341%0.414SS..  trans-106.9126.6174-176.80000108.5F70 L217 Y283V68-F70 HydrophobicContact CB-CE2 4.5Å; V68-F70 HydrophobicContact CG1-CE2 3.8Å; V68-F70 HydrophobicContact CG1-CZ 3.74Å; V68-L217 HydrophobicContact CG1-CD1 3.52Å; V68-Y283 HydrophobicContact CG1-CD1 3.95Å; V68-Y283 HydrophobicContact CG1-CD2 4.39Å; V68-Y283 HydrophobicContact CG1-CE1 3.71Å; V68-Y283 HydrophobicContact CG1-CE2 4.19Å; V68-Y283 HydrophobicContact CG1-CG 4.29Å; V68-Y283 HydrophobicContact CG2-CD2 3.94Å; V68-Y283 HydrophobicContact CG2-CE2 4.23Å; V68-Y283 HydrophobicContact CG2-CG 4.19Å
69F92Very high79.7Confident32 Ų3261.8 Ų61.814%0.1438%0.378CS..EExtended strand (participates in β ladder)trans-121.9160.5-174.3-60.2-101.5000111.4P66 G67 T78 L79 R80 L217 D218 Q220P66-F69 HydrophobicContact CG-CE2 4.1Å; P66-F69 HydrophobicContact CG-CZ 4.39Å; G67-F69 WeakPolarHBondContact O-CD2 3.49Å; F69-T78 HydrophobicContact CB-CG2 3.52Å; F69-T78 HydrophobicContact CD1-CG2 3.92Å; F69-T78 HydrophobicContact CG-CG2 4.04Å; F69-L79 CarbonylContact C-O 3.45Å; F69-L79 WeakPolarHBondContact CA-O 3.4Å; F69-R80 HydrophobicContact CD1-CG 4.17Å; F69-R80 HydrophobicContact CE1-CG 4Å; F69-L217 WeakPolarHBondContact O-CD1 3.17Å; F69-D218 HydrophobicContact CB-CB 4.01Å; F69-D218 WeakPolarHBondContact O-CB 3.38Å; F69-D218 PolarHBondContact O-N 3.05Å; F69-Q220 HydrophobicContact CD2-CG 4.41Å
70F92.8Very high81.9Confident0 Ų062.6 Ų62.60%037%0.373CS..EExtended strand (participates in β ladder)trans-139.2142.9-174.6-59.2-96.1000110.3V68 T78 L79 R81 R84 A215 T216 L217 Y283 Y301V68-F70 HydrophobicContact CB-CE2 4.5Å; V68-F70 HydrophobicContact CG1-CE2 3.8Å; V68-F70 HydrophobicContact CG1-CZ 3.74Å; F70-T78 CarbonylContact O-C 3.53Å; F70-T78 WeakPolarHBondContact O-CA 3.43Å; F70-L79 PolarHBondContact N-O 3.01Å; F70-L79 PolarHBondContact O-N 2.94Å; F70-R81 HydrophobicContact CE2-CB 4.04Å; F70-R84 HydrophobicContact CB-CG 4.09Å; F70-R84 VanDerWaalsContact CD1-NH1 3.35Å; F70-R84 HydrophobicContact CD2-CG 4.14Å; F70-R84 HydrophobicContact CG-CG 4.22Å; F70-A215 HydrophobicContact CB-CB 3.86Å; F70-T216 CarbonylContact C-O 3.55Å; F70-T216 WeakPolarHBondContact CA-O 3.45Å; F70-T216 VanDerWaalsContact CB-O 3.3Å; F70-T216 WeakPolarHBondContact CB-O 3.43Å; F70-L217 HydrophobicContact CD1-CB 4.44Å; F70-L217 HydrophobicContact CD1-CD1 4.16Å; F70-L217 HydrophobicContact CE1-CB 4.44Å; F70-L217 HydrophobicContact CE1-CD1 3.69Å; F70-L217 HydrophobicContact CZ-CD1 4Å; F70-Y283 HydrophobicContact CZ-CE1 4.11Å; F70-Y283 WeakPolarHBondContact CZ-OH 3.23Å; F70-Y301 HydrophobicContact CE1-CE1 4.49Å; F70-Y301 WeakPolarHBondContact CE1-OH 3.3Å
71I92.7Very high83.6Confident54 Ų5466.6 Ų66.628%0.27738%0.376SS..EExtended strand (participates in β ladder)trans-99.5127.5180-57174.7000108.5A215 T216 D218I71-A215 CarbonylContact O-C 3.48Å; I71-A215 VanDerWaalsContact O-CA 3.3Å; I71-A215 WeakPolarHBondContact O-CA 3.36Å; I71-T216 PolarHBondContact N-O 3.18Å; I71-T216 PolarHBondContact O-N 3.47Å; I71-T216 PolarHBondContact O-OG1 3.26Å; I71-D218 HydrophobicContact CD1-CB 4.15Å; I71-D218 HydrophobicContact CG1-CB 3.84Å
72C91.1Very high85.3Confident0 Ų066.7 Ų66.70%037%0.37CS..  trans-74.6122.1170.7-178.60000109.5L74 T75 G76 V77 L79C72-L74 PolarHBondContact O-N 2.82Å; C72-T75 WeakPolarHBondContact CB-OG1 3.49Å; C72-T75 PolarHBondContact O-N 3.48Å; C72-G76 WeakPolarHBondContact O-CA 3.46Å; C72-G76 PolarHBondContact O-N 3.07Å; C72-V77 PolarHBondContact N-O 2.87Å; C72-L79 HydrophobicContact CB-CD1 3.98Å
73P89.8Confident86.8Confident74 Ų7463.6 Ų63.648%0.48136%0.356SS..THydrogen-bonded Turntrans-66-23.1-178.727.6-37000113.4V213P73-V213 HydrophobicContact CG-CG1 3.6Å
74L88.2Confident87.8Confident61 Ų6160.7 Ų60.732%0.31934%0.337SS..THydrogen-bonded Turntrans-82.9-35.4-178.9-61.6178.2000113.1C72 A91 I92 M106 V213C72-L74 PolarHBondContact O-N 2.82Å; L74-A91 HydrophobicContact CB-CB 4.14Å; L74-A91 HydrophobicContact CD1-CB 3.96Å; L74-I92 HydrophobicContact CD1-CG1 3.68Å; L74-M106 HydrophobicContact CD1-SD 4.06Å; L74-M106 HydrophobicContact CD2-CE 4.47Å; L74-M106 HydrophobicContact CD2-SD 3.7Å; L74-V213 HydrophobicContact CD1-CG1 4.03Å; L74-V213 HydrophobicContact CG-CG1 3.99Å
75T89.3Confident88.8Confident66 Ų6662.6 Ų62.641%0.40534%0.34SS..THydrogen-bonded Turntrans-114.8-12.5-173.265.60000113.6C72 V77 H87 A91C72-T75 WeakPolarHBondContact CB-OG1 3.49Å; C72-T75 PolarHBondContact O-N 3.48Å; T75-V77 PolarHBondContact O-N 3.33Å; T75-V77 WeakPolarHBondContact OG1-CG2 3.49Å; T75-V77 PolarHBondContact OG1-N 3.13Å; T75-H87 PolarHBondContact OG1-NE2 3.15Å; T75-A91 HydrophobicContact CG2-CB 3.75Å
76G89.6Confident89.6Confident52 Ų5264.1 Ų64.154%0.53636%0.355SS..  trans69.24-173.400000114.8C72C72-G76 WeakPolarHBondContact O-CA 3.46Å; C72-G76 PolarHBondContact O-N 3.07Å
77V91.1Very high90.2Very high64 Ų6462.5 Ų62.539%0.38834%0.341SS..  trans-77.3135.5-175.9177.40000110.2C72 T75 L79C72-V77 PolarHBondContact N-O 2.87Å; T75-V77 PolarHBondContact O-N 3.33Å; T75-V77 WeakPolarHBondContact OG1-CG2 3.49Å; T75-V77 PolarHBondContact OG1-N 3.13Å; V77-L79 HydrophobicContact CG1-CD2 3.83Å; V77-L79 HydrophobicContact CG1-CG 4.29Å
78T91.3Very high90.6Very high67 Ų6761.6 Ų61.641%0.41133%0.329SS..EExtended strand (participates in β ladder)trans-81.8127.2172.4-57.40000110.8F69 F70 D218F69-T78 HydrophobicContact CB-CG2 3.52Å; F69-T78 HydrophobicContact CD1-CG2 3.92Å; F69-T78 HydrophobicContact CG-CG2 4.04Å; F70-T78 CarbonylContact O-C 3.53Å; F70-T78 WeakPolarHBondContact O-CA 3.43Å; T78-D218 HydrophobicContact CG2-CB 4.48Å; T78-D218 VanDerWaalsContact CG2-OD2 3.28Å; T78-D218 WeakPolarHBondContact CG2-OD2 3.45Å
79L90.3Very high90.8Very high9 Ų964 Ų645%0.04734%0.336CS..EExtended strand (participates in β ladder)trans-130.1150.2-169.3-59.5167000111.2F69 F70 C72 V77 Q83 R84 H87F69-L79 CarbonylContact C-O 3.45Å; F69-L79 WeakPolarHBondContact CA-O 3.4Å; F70-L79 PolarHBondContact N-O 3.01Å; F70-L79 PolarHBondContact O-N 2.94Å; C72-L79 HydrophobicContact CB-CD1 3.98Å; V77-L79 HydrophobicContact CG1-CD2 3.83Å; V77-L79 HydrophobicContact CG1-CG 4.29Å; L79-Q83 HydrophobicContact CD2-CB 4.49Å; L79-R84 HydrophobicContact CB-CG 4.33Å; L79-H87 HydrophobicContact CD1-CB 3.58Å; L79-H87 HydrophobicContact CD2-CB 3.97Å; L79-H87 HydrophobicContact CG-CB 4.44Å
80R91.5Very high90.9Very high138 Ų13868.7 Ų68.752%0.52136%0.358SS..EExtended strand (participates in β ladder)trans-80.1160.2166.9-66.6-174.9174.8-171.2-1111F69 D82 Q83 R84F69-R80 HydrophobicContact CD1-CG 4.17Å; F69-R80 HydrophobicContact CE1-CG 4Å; R80-D82 VanDerWaalsContact C-N 3.26Å; R80-D82 WeakPolarHBondContact CB-OD1 3.35Å; R80-D82 PolarHBondContact O-N 2.63Å; R80-Q83 PolarHBondContact O-N 2.64Å; R80-R84 WeakPolarHBondContact O-CG 3.42Å; R80-R84 PolarHBondContact O-N 2.86Å
81R87.5Confident90.9Very high163 Ų16369.3 Ų69.362%0.61536%0.363SS*.THydrogen-bonded Turntrans-51.8-40.9-175.3-175.4179.4176.4-176-0.6113.8F70 Q83 R84F70-R81 HydrophobicContact CE2-CB 4.04Å; R81-Q83 VanDerWaalsContact C-N 3.35Å; R81-R84 PolarHBondContact O-NE 3.47Å
82D89.2Confident90.8Very high122 Ų12266.7 Ų66.765%0.65235%0.35SS*.THydrogen-bonded Turntrans-68.5-29.8179.654.8-53.4000113.3R80R80-D82 VanDerWaalsContact C-N 3.26Å; R80-D82 WeakPolarHBondContact CB-OD1 3.35Å; R80-D82 PolarHBondContact O-N 2.63Å
83Q91.1Very high90.9Very high94 Ų9471 Ų7144%0.43937%0.372SS..THydrogen-bonded Turntrans-90.4-20-174.9-64169.2-6.900113.3L79 R80 R81 D85 A86 H87L79-Q83 HydrophobicContact CD2-CB 4.49Å; R80-Q83 PolarHBondContact O-N 2.64Å; R81-Q83 VanDerWaalsContact C-N 3.35Å; Q83-D85 PolarHBondContact O-N 2.97Å; Q83-A86 PolarHBondContact O-N 3.14Å; Q83-H87 WeakPolarHBondContact O-CB 3.31Å; Q83-H87 PolarHBondContact O-N 2.85Å
84R89.7Confident91Very high52 Ų5271.4 Ų71.420%0.19638%0.377CS..Hα-helixtrans-55.9-51.4-170.6-50.9179.3-51179.512.2113.1F70 L79 R80 R81 H87 I88 A215F70-R84 HydrophobicContact CB-CG 4.09Å; F70-R84 VanDerWaalsContact CD1-NH1 3.35Å; F70-R84 HydrophobicContact CD2-CG 4.14Å; F70-R84 HydrophobicContact CG-CG 4.22Å; L79-R84 HydrophobicContact CB-CG 4.33Å; R80-R84 WeakPolarHBondContact O-CG 3.42Å; R80-R84 PolarHBondContact O-N 2.86Å; R81-R84 PolarHBondContact O-NE 3.47Å; R84-H87 PolarHBondContact O-N 3.27Å; R84-I88 WeakPolarHBondContact O-CB 3.43Å; R84-I88 WeakPolarHBondContact O-CG1 3.32Å; R84-I88 PolarHBondContact O-N 2.88Å; R84-A215 HydrophobicContact CB-CB 4.39Å; R84-A215 HydrophobicContact CG-CB 4.48Å
85D89.6Confident91.2Very high93 Ų9371.3 Ų71.350%0.49738%0.375SS..Hα-helixtrans-65.6-46.5-173.2-67.1-3.8000109.4Q83 H87 I88 K89Q83-D85 PolarHBondContact O-N 2.97Å; D85-H87 PolarHBondContact O-N 3.17Å; D85-I88 PolarHBondContact O-N 3.37Å; D85-K89 VanDerWaalsContact O-CG 3.25Å; D85-K89 WeakPolarHBondContact O-CG 3.46Å; D85-K89 PolarHBondContact O-N 2.98Å
86A92.5Very high91.4Very high57 Ų5770.3 Ų70.347%0.47137%0.365SS..Hα-helixtrans-60.3-45.1177.600000112.3Q83 K89 Q90Q83-A86 PolarHBondContact O-N 3.14Å; A86-K89 WeakPolarHBondContact O-CB 3.26Å; A86-K89 PolarHBondContact O-N 3.2Å; A86-Q90 WeakPolarHBondContact O-CG 3.31Å; A86-Q90 PolarHBondContact O-N 2.91Å
87H92.7Very high91.5Very high40 Ų4072.8 Ų72.819%0.18537%0.374CS..Hα-helixtrans-67.5-42.1179.7-171.788.7000112.4T75 L79 Q83 R84 D85 K89 Q90 A91T75-H87 PolarHBondContact OG1-NE2 3.15Å; L79-H87 HydrophobicContact CD1-CB 3.58Å; L79-H87 HydrophobicContact CD2-CB 3.97Å; L79-H87 HydrophobicContact CG-CB 4.44Å; Q83-H87 WeakPolarHBondContact O-CB 3.31Å; Q83-H87 PolarHBondContact O-N 2.85Å; R84-H87 PolarHBondContact O-N 3.27Å; D85-H87 PolarHBondContact O-N 3.17Å; H87-K89 VanDerWaalsContact C-N 3.29Å; H87-K89 PolarHBondContact O-N 3.49Å; H87-Q90 PolarHBondContact O-N 2.97Å; H87-A91 WeakPolarHBondContact O-CB 3.47Å; H87-A91 PolarHBondContact O-N 3.22Å
88I91.9Very high91.6Very high10 Ų1075.1 Ų75.15%0.05139%0.388CS..Hα-helixtrans-60.4-42.4174.7-69.5166.8000110.1R84 D85 Q90 A91 I92 T110 V213 A215R84-I88 WeakPolarHBondContact O-CB 3.43Å; R84-I88 WeakPolarHBondContact O-CG1 3.32Å; R84-I88 PolarHBondContact O-N 2.88Å; D85-I88 PolarHBondContact O-N 3.37Å; I88-Q90 PolarHBondContact O-N 3.11Å; I88-A91 PolarHBondContact O-N 3.35Å; I88-I92 HydrophobicContact CG2-CD1 3.8Å; I88-I92 HydrophobicContact CG2-CG1 4.44Å; I88-I92 WeakPolarHBondContact O-CG1 2.99Å; I88-I92 PolarHBondContact O-N 3.2Å; I88-T110 HydrophobicContact CG2-CG2 3.81Å; I88-V213 HydrophobicContact CG2-CB 4.3Å; I88-V213 HydrophobicContact CG2-CG1 4.1Å; I88-A215 HydrophobicContact CD1-CB 4.03Å
89K92.6Very high91.7Very high96 Ų9674.6 Ų74.642%0.41738%0.383SS..Hα-helixtrans-58.8-48.3175.7-68.2-167.4177.7-166.70111.5D85 A86 H87 I92 L93 F111D85-K89 VanDerWaalsContact O-CG 3.25Å; D85-K89 WeakPolarHBondContact O-CG 3.46Å; D85-K89 PolarHBondContact O-N 2.98Å; A86-K89 WeakPolarHBondContact O-CB 3.26Å; A86-K89 PolarHBondContact O-N 3.2Å; H87-K89 VanDerWaalsContact C-N 3.29Å; H87-K89 PolarHBondContact O-N 3.49Å; K89-I92 PolarHBondContact O-N 3.45Å; K89-L93 VanDerWaalsContact O-CG 3.29Å; K89-L93 WeakPolarHBondContact O-CG 3.26Å; K89-L93 PolarHBondContact O-N 2.82Å; K89-F111 HydrophobicContact CB-CE1 3.88Å; K89-F111 HydrophobicContact CB-CE2 4.39Å; K89-F111 HydrophobicContact CB-CZ 3.58Å; K89-F111 HydrophobicContact CD-CE1 4.3Å; K89-F111 HydrophobicContact CD-CE2 4.28Å; K89-F111 HydrophobicContact CD-CZ 4.12Å; K89-F111 HydrophobicContact CG-CD1 4.03Å; K89-F111 HydrophobicContact CG-CE1 3.43Å; K89-F111 VanDerWaalsContact CG-CE1 3.43Å; K89-F111 HydrophobicContact CG-CE2 4.15Å; K89-F111 HydrophobicContact CG-CZ 3.5Å; K89-F111 VanDerWaalsContact CG-CZ 3.5Å
90Q94Very high91.9Very high131 Ų13177.1 Ų77.161%0.61240%0.4SS*.Hα-helixtrans-63.8-40.7178.3-72.8177-24.600112.4A86 H87 I88 I92 L93 S94A86-Q90 WeakPolarHBondContact O-CG 3.31Å; A86-Q90 PolarHBondContact O-N 2.91Å; H87-Q90 PolarHBondContact O-N 2.97Å; I88-Q90 PolarHBondContact O-N 3.11Å; Q90-I92 PolarHBondContact O-N 2.83Å; Q90-L93 PolarHBondContact O-N 2.99Å; Q90-S94 WeakPolarHBondContact O-CB 3.34Å; Q90-S94 PolarHBondContact O-N 3.24Å
91A92.6Very high92Very high12 Ų1271 Ų7110%0.09938%0.378CS..Hα-helixtrans-61.6-44.4177.200000111.7L74 T75 H87 I88 S94 H95L74-A91 HydrophobicContact CB-CB 4.14Å; L74-A91 HydrophobicContact CD1-CB 3.96Å; T75-A91 HydrophobicContact CG2-CB 3.75Å; H87-A91 WeakPolarHBondContact O-CB 3.47Å; H87-A91 PolarHBondContact O-N 3.22Å; I88-A91 PolarHBondContact O-N 3.35Å; A91-S94 PolarHBondContact O-N 3.39Å; A91-H95 PolarHBondContact O-N 3.18Å
92I91.8Very high92.3Very high0 Ų064.3 Ų64.30%036%0.358CS..Hα-helixtrans-63.5-45.2175.8-69.2169000110.5L74 I88 K89 Q90 S94 H95 F96 A103 M106 K107 T110 F111 V213L74-I92 HydrophobicContact CD1-CG1 3.68Å; I88-I92 HydrophobicContact CG2-CD1 3.8Å; I88-I92 HydrophobicContact CG2-CG1 4.44Å; I88-I92 WeakPolarHBondContact O-CG1 2.99Å; I88-I92 PolarHBondContact O-N 3.2Å; K89-I92 PolarHBondContact O-N 3.45Å; Q90-I92 PolarHBondContact O-N 2.83Å; I92-S94 VanDerWaalsContact C-N 3.33Å; I92-S94 PolarHBondContact O-N 3.08Å; I92-H95 WeakPolarHBondContact O-CB 3.37Å; I92-H95 PolarHBondContact O-N 3.26Å; I92-F96 HydrophobicContact CG2-CE2 4.26Å; I92-F96 VanDerWaalsContact O-CD2 3.31Å; I92-F96 WeakPolarHBondContact O-CD2 3.17Å; I92-F96 PolarHBondContact O-N 3.03Å; I92-A103 WeakPolarHBondContact CG2-O 3.34Å; I92-M106 HydrophobicContact CD1-CB 4.08Å; I92-M106 HydrophobicContact CG1-CB 4.08Å; I92-M106 HydrophobicContact CG2-CB 4.15Å; I92-K107 HydrophobicContact CG2-CB 4Å; I92-T110 HydrophobicContact CD1-CG2 3.94Å; I92-F111 HydrophobicContact CB-CE1 4.5Å; I92-F111 HydrophobicContact CD1-CE1 3.87Å; I92-V213 HydrophobicContact CD1-CB 4.37Å; I92-V213 HydrophobicContact CD1-CG2 4.32Å
93L92.7Very high92.5Very high91 Ų9158.5 Ų58.548%0.47633%0.327SS..Hα-helixtrans-61.7-39.1177.9-70.4174.7000112.5K89 Q90 H95 F96K89-L93 VanDerWaalsContact O-CG 3.29Å; K89-L93 WeakPolarHBondContact O-CG 3.26Å; K89-L93 PolarHBondContact O-N 2.82Å; Q90-L93 PolarHBondContact O-N 2.99Å; L93-H95 VanDerWaalsContact C-N 3.33Å; L93-F96 HydrophobicContact CD2-CE2 4.33Å; L93-F96 WeakPolarHBondContact O-CB 3.5Å; L93-F96 PolarHBondContact O-N 3.48Å
94S92.8Very high92.6Very high82 Ų8254 Ų5457%0.57331%0.306SS*.Hα-helixtrans-65.1-37.4175.3-1700000112.1Q90 A91 I92 F96 S97Q90-S94 WeakPolarHBondContact O-CB 3.34Å; Q90-S94 PolarHBondContact O-N 3.24Å; A91-S94 PolarHBondContact O-N 3.39Å; I92-S94 VanDerWaalsContact C-N 3.33Å; I92-S94 PolarHBondContact O-N 3.08Å; S94-F96 PolarHBondContact O-N 3.02Å; S94-S97 PolarHBondContact O-N 3.37Å; S94-S97 PolarHBondContact O-OG 2.86Å
95H92.2Very high92.9Very high59 Ų5951.9 Ų51.927%0.27330%0.298SS..Hα-helixtrans-64.8-19.3-179.4-158.2-55.4000113.6A91 I92 L93 S97 T98 D99 A103 M106A91-H95 PolarHBondContact O-N 3.18Å; I92-H95 WeakPolarHBondContact O-CB 3.37Å; I92-H95 PolarHBondContact O-N 3.26Å; L93-H95 VanDerWaalsContact C-N 3.33Å; H95-S97 PolarHBondContact O-N 3.01Å; H95-S97 VanDerWaalsContact O-N 3.14Å; H95-T98 PolarHBondContact O-N 3.45Å; H95-D99 PolarHBondContact O-N 3.44Å; H95-A103 HydrophobicContact CB-CB 4.15Å; H95-M106 HydrophobicContact CB-CE 4.09Å
96F92.5Very high93Very high45 Ų4548.8 Ų48.820%0.19728%0.281CS..THydrogen-bonded Turntrans-56.9-28.9174.4-86.6-92.2000113.1I92 L93 S94 T98 P100 A103 S104 K107 E163I92-F96 HydrophobicContact CG2-CE2 4.26Å; I92-F96 VanDerWaalsContact O-CD2 3.31Å; I92-F96 WeakPolarHBondContact O-CD2 3.17Å; I92-F96 PolarHBondContact O-N 3.03Å; L93-F96 HydrophobicContact CD2-CE2 4.33Å; L93-F96 WeakPolarHBondContact O-CB 3.5Å; L93-F96 PolarHBondContact O-N 3.48Å; S94-F96 PolarHBondContact O-N 3.02Å; F96-T98 VanDerWaalsContact C-N 3.3Å; F96-T98 PolarHBondContact O-N 3.02Å; F96-P100 WeakPolarHBondContact O-CG 3.18Å; F96-A103 HydrophobicContact CB-CB 4.22Å; F96-A103 HydrophobicContact CD1-CB 4.01Å; F96-A103 HydrophobicContact CD2-CB 3.44Å; F96-A103 VanDerWaalsContact CD2-CB 3.44Å; F96-A103 HydrophobicContact CE1-CB 4.2Å; F96-A103 HydrophobicContact CE2-CB 3.67Å; F96-A103 HydrophobicContact CG-CB 3.63Å; F96-A103 HydrophobicContact CZ-CB 4.05Å; F96-S104 WeakPolarHBondContact CE1-OG 3.26Å; F96-K107 HydrophobicContact CE2-CD 4.2Å; F96-K107 HydrophobicContact CZ-CD 4.05Å; F96-E163 HydrophobicContact CE1-CB 3.77Å; F96-E163 HydrophobicContact CE1-CG 4.27Å; F96-E163 HydrophobicContact CZ-CB 4.2Å
97S92.2Very high93.1Very high104 Ų10447.3 Ų47.373%0.72726%0.264SS*.THydrogen-bonded Turntrans-69.3-26176.563.20000113.8S94 H95S94-S97 PolarHBondContact O-N 3.37Å; S94-S97 PolarHBondContact O-OG 2.86Å; H95-S97 PolarHBondContact O-N 3.01Å; H95-S97 VanDerWaalsContact O-N 3.14Å
98T92.8Very high93.2Very high113 Ų11345.4 Ų45.469%0.69326%0.255SS*.THydrogen-bonded Turntrans-95.8-50.5-176.3-54.70000111.4H95 F96H95-T98 PolarHBondContact O-N 3.45Å; F96-T98 VanDerWaalsContact C-N 3.3Å; F96-T98 PolarHBondContact O-N 3.02Å
99D93.1Very high93.3Very high56 Ų5645.8 Ų45.830%0.29926%0.257SS..  trans-143.298.2177.7-174.8-19.4000108.8H95 V101 A102 A103H95-D99 PolarHBondContact O-N 3.44Å; D99-V101 VanDerWaalsContact C-N 3.27Å; D99-V101 PolarHBondContact O-N 3.44Å; D99-V101 PolarHBondContact OD1-N 2.96Å; D99-A102 HydrophobicContact CB-CB 3.97Å; D99-A102 VanDerWaalsContact CG-CB 3.47Å; D99-A102 PolarHBondContact OD1-N 2.92Å; D99-A102 WeakPolarHBondContact OD2-CB 3.31Å; D99-A103 VanDerWaalsContact O-CB 3.26Å; D99-A103 WeakPolarHBondContact O-CB 3.44Å; D99-A103 PolarHBondContact O-N 3.04Å
100P94.1Very high93.2Very high61 Ų6142.6 Ų42.640%0.39625%0.245SC..Hα-helixtrans-60.1-34.6179.3-23.131.6000113.3F96 S104 A167F96-P100 WeakPolarHBondContact O-CG 3.18Å; P100-S104 WeakPolarHBondContact O-CB 3.29Å; P100-S104 PolarHBondContact O-N 3.41Å; P100-S104 PolarHBondContact O-OG 2.71Å; P100-A167 HydrophobicContact CB-CB 3.82Å
101V93.7Very high93.1Very high9 Ų937.7 Ų37.76%0.05522%0.222CC..Hα-helixtrans-72.5-51.3-177-179.30000109.5D99 A103 S104 I105 F164 A167 I168 H203D99-V101 VanDerWaalsContact C-N 3.27Å; D99-V101 PolarHBondContact O-N 3.44Å; D99-V101 PolarHBondContact OD1-N 2.96Å; V101-A103 VanDerWaalsContact C-N 3.31Å; V101-A103 PolarHBondContact O-N 3.22Å; V101-S104 PolarHBondContact O-N 3.16Å; V101-I105 HydrophobicContact CG1-CD1 3.92Å; V101-I105 VanDerWaalsContact O-CG1 3.29Å; V101-I105 WeakPolarHBondContact O-CG1 3.48Å; V101-I105 PolarHBondContact O-N 3.37Å; V101-F164 HydrophobicContact CG1-CD2 4.32Å; V101-F164 HydrophobicContact CG1-CE2 3.95Å; V101-A167 HydrophobicContact CB-CB 4.41Å; V101-A167 HydrophobicContact CG2-CB 3.7Å; V101-I168 HydrophobicContact CG1-CG2 4.15Å; V101-I168 HydrophobicContact CG2-CG2 4.25Å; V101-H203 HydrophobicContact CG1-CB 4.31Å
102A93.5Very high93.1Very high24 Ų2438 Ų3820%0.19822%0.222CC..Hα-helixtrans-60-42.2177.500000111.6D99 S104 I105 M106D99-A102 HydrophobicContact CB-CB 3.97Å; D99-A102 VanDerWaalsContact CG-CB 3.47Å; D99-A102 PolarHBondContact OD1-N 2.92Å; D99-A102 WeakPolarHBondContact OD2-CB 3.31Å; A102-S104 PolarHBondContact O-N 2.92Å; A102-I105 PolarHBondContact O-N 3.34Å; A102-M106 WeakPolarHBondContact O-CG 3.4Å; A102-M106 PolarHBondContact O-N 2.92Å
103A94.2Very high92.9Very high0 Ų048.8 Ų48.80%026%0.262CS..Hα-helixtrans-63.5-39.9178.100000112.8I92 H95 F96 D99 V101 M106 K107I92-A103 WeakPolarHBondContact CG2-O 3.34Å; H95-A103 HydrophobicContact CB-CB 4.15Å; F96-A103 HydrophobicContact CB-CB 4.22Å; F96-A103 HydrophobicContact CD1-CB 4.01Å; F96-A103 HydrophobicContact CD2-CB 3.44Å; F96-A103 VanDerWaalsContact CD2-CB 3.44Å; F96-A103 HydrophobicContact CE1-CB 4.2Å; F96-A103 HydrophobicContact CE2-CB 3.67Å; F96-A103 HydrophobicContact CG-CB 3.63Å; F96-A103 HydrophobicContact CZ-CB 4.05Å; D99-A103 VanDerWaalsContact O-CB 3.26Å; D99-A103 WeakPolarHBondContact O-CB 3.44Å; D99-A103 PolarHBondContact O-N 3.04Å; V101-A103 VanDerWaalsContact C-N 3.31Å; V101-A103 PolarHBondContact O-N 3.22Å; A103-M106 HydrophobicContact CB-CE 4.38Å; A103-M106 PolarHBondContact O-N 3.3Å; A103-K107 WeakPolarHBondContact O-CB 3.39Å; A103-K107 PolarHBondContact O-N 2.93Å
104S93.9Very high92.9Very high0 Ų047.5 Ų47.50%026%0.256CS..Hα-helixtrans-65.1-44175.4-56.60000112F96 P100 V101 A102 M106 K107 I108 E163 F164F96-S104 WeakPolarHBondContact CE1-OG 3.26Å; P100-S104 WeakPolarHBondContact O-CB 3.29Å; P100-S104 PolarHBondContact O-N 3.41Å; P100-S104 PolarHBondContact O-OG 2.71Å; V101-S104 PolarHBondContact O-N 3.16Å; A102-S104 PolarHBondContact O-N 2.92Å; S104-M106 PolarHBondContact O-N 2.92Å; S104-K107 WeakPolarHBondContact O-CB 3.39Å; S104-K107 PolarHBondContact O-N 2.87Å; S104-I108 VanDerWaalsContact O-CG1 3.32Å; S104-I108 WeakPolarHBondContact O-CG1 3.46Å; S104-I108 PolarHBondContact O-N 3.44Å; S104-E163 PolarHBondContact OG-O 3.23Å; S104-F164 PolarHBondContact OG-N 2.96Å
105I94.6Very high92.8Very high7 Ų747.7 Ų47.74%0.03624%0.244CC..Hα-helixtrans-59.1-47.5175-66.5168.2000110.4V101 A102 K107 I108 H109 F164 Q206 L207 A210V101-I105 HydrophobicContact CG1-CD1 3.92Å; V101-I105 VanDerWaalsContact O-CG1 3.29Å; V101-I105 WeakPolarHBondContact O-CG1 3.48Å; V101-I105 PolarHBondContact O-N 3.37Å; A102-I105 PolarHBondContact O-N 3.34Å; I105-K107 VanDerWaalsContact C-N 3.3Å; I105-K107 PolarHBondContact O-N 2.87Å; I105-I108 PolarHBondContact O-N 3.38Å; I105-H109 PolarHBondContact O-CD2 2.8Å; I105-H109 PolarHBondContact O-N 3.04Å; I105-F164 HydrophobicContact CD1-CE2 3.97Å; I105-F164 HydrophobicContact CG1-CD2 3.77Å; I105-F164 HydrophobicContact CG1-CE2 3.62Å; I105-Q206 HydrophobicContact CD1-CB 3.7Å; I105-L207 HydrophobicContact CB-CD1 4.47Å; I105-L207 HydrophobicContact CD1-CB 4.47Å; I105-L207 HydrophobicContact CG1-CB 4.45Å; I105-L207 HydrophobicContact CG1-CD1 3.94Å; I105-L207 HydrophobicContact CG2-CD1 4.26Å; I105-A210 HydrophobicContact CG2-CB 3.24Å
106M93.4Very high92.8Very high27 Ų2750.7 Ų50.713%0.13326%0.262CS..Hα-helixtrans-59.6-41176.2-73.2-172.1-71.200111.7L74 I92 H95 A102 A103 S104 T110 V213L74-M106 HydrophobicContact CD1-SD 4.06Å; L74-M106 HydrophobicContact CD2-CE 4.47Å; L74-M106 HydrophobicContact CD2-SD 3.7Å; I92-M106 HydrophobicContact CD1-CB 4.08Å; I92-M106 HydrophobicContact CG1-CB 4.08Å; I92-M106 HydrophobicContact CG2-CB 4.15Å; H95-M106 HydrophobicContact CB-CE 4.09Å; A102-M106 WeakPolarHBondContact O-CG 3.4Å; A102-M106 PolarHBondContact O-N 2.92Å; A103-M106 HydrophobicContact CB-CE 4.38Å; A103-M106 PolarHBondContact O-N 3.3Å; S104-M106 PolarHBondContact O-N 2.92Å; M106-T110 WeakPolarHBondContact O-CB 3.15Å; M106-T110 PolarHBondContact O-N 3.29Å; M106-T110 PolarHBondContact O-OG1 3.47Å; M106-V213 HydrophobicContact CB-CG2 4.05Å; M106-V213 HydrophobicContact CG-CG2 3.78Å; M106-V213 HydrophobicContact SD-CG2 3.76Å
107K94.2Very high92.8Very high26 Ų2655.4 Ų55.411%0.11328%0.279CS..Hα-helixtrans-62.4-48.1177.3-172.7173.7173.3-177.60111.6I92 F96 A103 S104 I105 H109 T110 F111 E163I92-K107 HydrophobicContact CG2-CB 4Å; F96-K107 HydrophobicContact CE2-CD 4.2Å; F96-K107 HydrophobicContact CZ-CD 4.05Å; A103-K107 WeakPolarHBondContact O-CB 3.39Å; A103-K107 PolarHBondContact O-N 2.93Å; S104-K107 WeakPolarHBondContact O-CB 3.39Å; S104-K107 PolarHBondContact O-N 2.87Å; I105-K107 VanDerWaalsContact C-N 3.3Å; I105-K107 PolarHBondContact O-N 2.87Å; K107-H109 PolarHBondContact O-N 3.44Å; K107-T110 PolarHBondContact O-N 2.76Å; K107-F111 HydrophobicContact CD-CD2 4.4Å; K107-F111 HydrophobicContact CD-CE2 4.24Å; K107-F111 HydrophobicContact CG-CD2 3.72Å; K107-F111 HydrophobicContact CG-CE2 3.85Å; K107-F111 HydrophobicContact CG-CG 4.12Å; K107-F111 HydrophobicContact CG-CZ 4.32Å; K107-F111 WeakPolarHBondContact O-CB 3.34Å; K107-F111 PolarHBondContact O-N 3.34Å; K107-E163 IonicContact NZ-OE1 2.64Å; K107-E163 PolarHBondContact NZ-OE1 3.47Å
108I94.3Very high92.9Very high0 Ų050.6 Ų50.60%025%0.245CC..Hα-helixtrans-56.4-50.2177.5-67.4165.6000110.8S104 I105 N112 V118 V122 E159 G160 F164 L207S104-I108 VanDerWaalsContact O-CG1 3.32Å; S104-I108 WeakPolarHBondContact O-CG1 3.46Å; S104-I108 PolarHBondContact O-N 3.44Å; I105-I108 PolarHBondContact O-N 3.38Å; I108-N112 PolarHBondContact O-ND2 3.3Å; I108-V118 HydrophobicContact CG2-CG1 4.18Å; I108-V122 HydrophobicContact CG2-CG2 4.39Å; I108-E159 WeakPolarHBondContact CA-O 3.31Å; I108-G160 VanDerWaalsContact CG1-C 3.49Å; I108-F164 HydrophobicContact CD1-CB 3.84Å; I108-F164 HydrophobicContact CD1-CG 4.19Å; I108-L207 HydrophobicContact CD1-CD1 4.11Å
109H93Very high93Very high19 Ų1951.8 Ų51.89%0.08824%0.241CC..Hα-helixtrans-75.1-29.2-176.9-80.3-77000113.4I105 K107 R115 L207 A210 P212I105-H109 PolarHBondContact O-CD2 2.8Å; I105-H109 PolarHBondContact O-N 3.04Å; K107-H109 PolarHBondContact O-N 3.44Å; H109-R115 PolarHBondContact O-NH1 3.16Å; H109-R115 PolarHBondContact O-NH2 3.06Å; H109-L207 PolarHBondContact NE2-O 3.37Å; H109-A210 PolarHBondContact CE1-O 3.46Å; H109-A210 VanDerWaalsContact CE1-O 3.3Å; H109-A210 PolarHBondContact NE2-O 3.43Å; H109-P212 WeakPolarHBondContact O-CB 3.48Å
110T91.5Very high93Very high29 Ų2953.3 Ų53.318%0.17825%0.248CC..Hα-helixtrans-93.5-41.6-170.7-52.50000112.9I88 I92 M106 K107 V213I88-T110 HydrophobicContact CG2-CG2 3.81Å; I92-T110 HydrophobicContact CD1-CG2 3.94Å; M106-T110 WeakPolarHBondContact O-CB 3.15Å; M106-T110 PolarHBondContact O-N 3.29Å; M106-T110 PolarHBondContact O-OG1 3.47Å; K107-T110 PolarHBondContact O-N 2.76Å; T110-V213 HydrophobicContact CG2-CB 4.27Å; T110-V213 WeakPolarHBondContact CG2-O 3.32Å; T110-V213 PolarHBondContact OG1-N 2.74Å
111F91.7Very high93Very high28 Ų2850.4 Ų50.412%0.12323%0.229CC..Hα-helixtrans-81.5-29.9-171.5-70.915.6000112.1K89 I92 K107 R113 E159K89-F111 HydrophobicContact CB-CE1 3.88Å; K89-F111 HydrophobicContact CB-CE2 4.39Å; K89-F111 HydrophobicContact CB-CZ 3.58Å; K89-F111 HydrophobicContact CD-CE1 4.3Å; K89-F111 HydrophobicContact CD-CE2 4.28Å; K89-F111 HydrophobicContact CD-CZ 4.12Å; K89-F111 HydrophobicContact CG-CD1 4.03Å; K89-F111 HydrophobicContact CG-CE1 3.43Å; K89-F111 VanDerWaalsContact CG-CE1 3.43Å; K89-F111 HydrophobicContact CG-CE2 4.15Å; K89-F111 HydrophobicContact CG-CZ 3.5Å; K89-F111 VanDerWaalsContact CG-CZ 3.5Å; I92-F111 HydrophobicContact CB-CE1 4.5Å; I92-F111 HydrophobicContact CD1-CE1 3.87Å; K107-F111 HydrophobicContact CD-CD2 4.4Å; K107-F111 HydrophobicContact CD-CE2 4.24Å; K107-F111 HydrophobicContact CG-CD2 3.72Å; K107-F111 HydrophobicContact CG-CE2 3.85Å; K107-F111 HydrophobicContact CG-CG 4.12Å; K107-F111 HydrophobicContact CG-CZ 4.32Å; K107-F111 WeakPolarHBondContact O-CB 3.34Å; K107-F111 PolarHBondContact O-N 3.34Å; F111-R113 PolarHBondContact O-N 2.91Å; F111-E159 HydrophobicContact CB-CB 4.34Å; F111-E159 WeakPolarHBondContact CD2-OE2 3.38Å
112N92Very high93.1Very high18 Ų1850.2 Ų50.210%0.09623%0.228CC..  trans-81.4114.1179.2-61.6-68000110.2I108 V118 L158 E159I108-N112 PolarHBondContact O-ND2 3.3Å; N112-V118 HydrophobicContact CB-CG2 3.33Å; N112-L158 HydrophobicContact CB-CD2 4.37Å; N112-E159 PolarHBondContact ND2-N 3.48Å; N112-E159 PolarHBondContact ND2-O 3.4Å; N112-E159 VanDerWaalsContact ND2-O 3.08Å; N112-E159 PolarHBondContact OD1-N 3.29Å; N112-E159 VanDerWaalsContact OD1-N 3.13Å
113R88.4Confident93.1Very high226 Ų22652 Ų5285%0.85324%0.235SC*.  trans-72.8-33.6-178.5-66.5-177.6175.7178.8-1.5113F111 R115F111-R113 PolarHBondContact O-N 2.91Å; R113-R115 PolarHBondContact O-N 3.31Å
114D92.6Very high93.1Very high64 Ų6452.4 Ų52.434%0.34224%0.237SC..  trans-80.2102.5-179-172-24000110.2D116 R117 V118D114-D116 VanDerWaalsContact C-N 3.3Å; D114-D116 PolarHBondContact O-N 3.39Å; D114-D116 PolarHBondContact OD1-N 3.34Å; D114-D116 VanDerWaalsContact OD1-N 3.11Å; D114-R117 HydrophobicContact CB-CB 4.17Å; D114-R117 HydrophobicContact CB-CG 4.15Å; D114-R117 PolarHBondContact O-N 3.17Å; D114-R117 PolarHBondContact OD1-N 3.28Å; D114-R117 VanDerWaalsContact OD1-N 3.17Å; D114-R117 VanDerWaalsContact OD2-CD 3.3Å; D114-R117 WeakPolarHBondContact OD2-CD 3.31Å; D114-R117 WeakPolarHBondContact OD2-CG 3.43Å; D114-R117 IonicContact OD2-CZ 3.46Å; D114-R117 IonicContact OD2-NE 2.63Å; D114-R117 PolarHBondContact OD2-NE 3.09Å; D114-R117 IonicContact OD2-NH2 3.31Å; D114-V118 WeakPolarHBondContact O-CG2 3.45Å; D114-V118 PolarHBondContact O-N 3.39Å; D114-V118 VanDerWaalsContact O-N 3.17Å
115R90.9Very high93.1Very high87 Ų8752.4 Ų52.433%0.32824%0.237SC..Hα-helixtrans-68.3-31.1-176.5-65.8-72.1157.1-164.3-12.2112.5H109 R113 V118 K119 P212H109-R115 PolarHBondContact O-NH1 3.16Å; H109-R115 PolarHBondContact O-NH2 3.06Å; R113-R115 PolarHBondContact O-N 3.31Å; R115-V118 PolarHBondContact O-N 3.36Å; R115-K119 WeakPolarHBondContact O-CB 3.49Å; R115-K119 PolarHBondContact O-N 3.48Å; R115-P212 VanDerWaalsContact NH2-CB 3.34Å
116D92.8Very high93.1Very high122 Ų12252.4 Ų52.465%0.65224%0.238SC*.Hα-helixtrans-70.6-40.8-179.5-64.4-35.8000110.1D114 K119 L120D114-D116 VanDerWaalsContact C-N 3.3Å; D114-D116 PolarHBondContact O-N 3.39Å; D114-D116 PolarHBondContact OD1-N 3.34Å; D114-D116 VanDerWaalsContact OD1-N 3.11Å; D116-K119 PolarHBondContact O-N 2.92Å; D116-L120 WeakPolarHBondContact O-CB 3.33Å; D116-L120 VanDerWaalsContact O-CG 3.29Å; D116-L120 WeakPolarHBondContact O-CG 3.27Å; D116-L120 PolarHBondContact O-N 3.47Å
117R92.9Very high93.1Very high144 Ų14457.2 Ų57.254%0.54326%0.258SS..Hα-helixtrans-63.5-43.8172.6-70.3-177.8-156.5-160.4-3.2112.7D114 K119 L120 G121 L158D114-R117 HydrophobicContact CB-CB 4.17Å; D114-R117 HydrophobicContact CB-CG 4.15Å; D114-R117 PolarHBondContact O-N 3.17Å; D114-R117 PolarHBondContact OD1-N 3.28Å; D114-R117 VanDerWaalsContact OD1-N 3.17Å; D114-R117 VanDerWaalsContact OD2-CD 3.3Å; D114-R117 WeakPolarHBondContact OD2-CD 3.31Å; D114-R117 WeakPolarHBondContact OD2-CG 3.43Å; D114-R117 IonicContact OD2-CZ 3.46Å; D114-R117 IonicContact OD2-NE 2.63Å; D114-R117 PolarHBondContact OD2-NE 3.09Å; D114-R117 IonicContact OD2-NH2 3.31Å; R117-K119 VanDerWaalsContact C-N 3.32Å; R117-K119 PolarHBondContact O-N 2.85Å; R117-L120 PolarHBondContact O-N 3.02Å; R117-G121 PolarHBondContact O-N 3.14Å; R117-L158 HydrophobicContact CB-CD2 4.22Å
118V93.6Very high93Very high3 Ų358.1 Ų58.12%0.01826%0.261CS..Hα-helixtrans-58-48.5176.6172.80000110.1I108 N112 D114 R115 L120 G121 V122 L158I108-V118 HydrophobicContact CG2-CG1 4.18Å; N112-V118 HydrophobicContact CB-CG2 3.33Å; D114-V118 WeakPolarHBondContact O-CG2 3.45Å; D114-V118 PolarHBondContact O-N 3.39Å; D114-V118 VanDerWaalsContact O-N 3.17Å; R115-V118 PolarHBondContact O-N 3.36Å; V118-L120 PolarHBondContact O-N 2.68Å; V118-G121 PolarHBondContact O-N 3.22Å; V118-V122 HydrophobicContact CG1-CG2 4.2Å; V118-V122 WeakPolarHBondContact O-CB 3.37Å; V118-V122 VanDerWaalsContact O-CG2 3.27Å; V118-V122 WeakPolarHBondContact O-CG2 3.41Å; V118-V122 PolarHBondContact O-N 3.48Å; V118-L158 HydrophobicContact CG2-CD2 4.17Å
119K94Very high92.8Very high138 Ų13858.4 Ų58.460%0.626%0.262SS*.Hα-helixtrans-59.6-48.4178.3-172.5178.8-179.2-179.80112R115 D116 R117 G121 V122 D123R115-K119 WeakPolarHBondContact O-CB 3.49Å; R115-K119 PolarHBondContact O-N 3.48Å; D116-K119 PolarHBondContact O-N 2.92Å; R117-K119 VanDerWaalsContact C-N 3.32Å; R117-K119 PolarHBondContact O-N 2.85Å; K119-G121 VanDerWaalsContact C-N 3.32Å; K119-G121 PolarHBondContact O-N 2.9Å; K119-V122 PolarHBondContact O-N 3.18Å; K119-D123 WeakPolarHBondContact O-CB 3.46Å; K119-D123 VanDerWaalsContact O-CG 3.25Å; K119-D123 PolarHBondContact O-N 2.98Å
120L94.1Very high92.7Very high87 Ų8760 Ų6046%0.45527%0.272SS..Hα-helixtrans-59.9-40.5178.2-74.5170.7000112.8D116 R117 V118 T124D116-L120 WeakPolarHBondContact O-CB 3.33Å; D116-L120 VanDerWaalsContact O-CG 3.29Å; D116-L120 WeakPolarHBondContact O-CG 3.27Å; D116-L120 PolarHBondContact O-N 3.47Å; R117-L120 PolarHBondContact O-N 3.02Å; V118-L120 PolarHBondContact O-N 2.68Å; L120-T124 WeakPolarHBondContact O-CB 3.47Å; L120-T124 PolarHBondContact O-N 2.95Å; L120-T124 VanDerWaalsContact O-N 3.15Å; L120-T124 PolarHBondContact O-OG1 3.17Å
121G94.1Very high92.7Very high0 Ų061.3 Ų61.30%028%0.278CS..Hα-helixtrans-68.4-47.4176.500000112.1R117 V118 K119 D123 T124 I125 R154R117-G121 PolarHBondContact O-N 3.14Å; V118-G121 PolarHBondContact O-N 3.22Å; K119-G121 VanDerWaalsContact C-N 3.32Å; K119-G121 PolarHBondContact O-N 2.9Å; G121-D123 PolarHBondContact O-N 3.47Å; G121-T124 WeakPolarHBondContact O-CB 3.45Å; G121-T124 PolarHBondContact O-N 3.48Å; G121-T124 VanDerWaalsContact O-N 3.07Å; G121-I125 VanDerWaalsContact O-CG1 3.31Å; G121-I125 WeakPolarHBondContact O-CG1 2.94Å; G121-I125 PolarHBondContact O-N 3.46Å; G121-R154 WeakPolarHBondContact CA-O 3.39Å
122V94.8Very high92.5Very high6 Ų660.5 Ų60.54%0.03627%0.274CS..Hα-helixtrans-57.8-45.9176.1167.20000111.3I108 V118 K119 T124 I125 A126 L207 L208I108-V122 HydrophobicContact CG2-CG2 4.39Å; V118-V122 HydrophobicContact CG1-CG2 4.2Å; V118-V122 WeakPolarHBondContact O-CB 3.37Å; V118-V122 VanDerWaalsContact O-CG2 3.27Å; V118-V122 WeakPolarHBondContact O-CG2 3.41Å; V118-V122 PolarHBondContact O-N 3.48Å; K119-V122 PolarHBondContact O-N 3.18Å; V122-T124 VanDerWaalsContact C-N 3.26Å; V122-T124 PolarHBondContact O-N 3.34Å; V122-I125 PolarHBondContact O-N 3.41Å; V122-A126 WeakPolarHBondContact O-CB 3.42Å; V122-A126 PolarHBondContact O-N 3.4Å; V122-L207 HydrophobicContact CB-CD2 4.5Å; V122-L207 HydrophobicContact CB-CG 4.48Å; V122-L207 HydrophobicContact CG1-CD2 4.09Å; V122-L207 HydrophobicContact CG1-CG 3.89Å; V122-L207 HydrophobicContact CG2-CD1 4.09Å; V122-L207 HydrophobicContact CG2-CD2 4.33Å; V122-L207 HydrophobicContact CG2-CG 4.05Å; V122-L208 HydrophobicContact CG1-CD2 3.74Å
123D94.9Very high92.2Very high62 Ų6264.7 Ų64.733%0.33229%0.293SS..Hα-helixtrans-60.7-36.5176.1-74.1-16.1000111.9K119 G121 K127K119-D123 WeakPolarHBondContact O-CB 3.46Å; K119-D123 VanDerWaalsContact O-CG 3.25Å; K119-D123 PolarHBondContact O-N 2.98Å; G121-D123 PolarHBondContact O-N 3.47Å; D123-K127 VanDerWaalsContact O-CG 3.32Å; D123-K127 WeakPolarHBondContact O-CG 3.28Å; D123-K127 PolarHBondContact O-N 2.74Å; D123-K127 VanDerWaalsContact O-N 3.13Å
124T94.2Very high92.2Very high8 Ų859.5 Ų59.55%0.04928%0.282CS..Hα-helixtrans-72.6-41.6178.9-54.60000111.1L120 G121 V122 K127 Y128 V150 R154 I155L120-T124 WeakPolarHBondContact O-CB 3.47Å; L120-T124 PolarHBondContact O-N 2.95Å; L120-T124 VanDerWaalsContact O-N 3.15Å; L120-T124 PolarHBondContact O-OG1 3.17Å; G121-T124 WeakPolarHBondContact O-CB 3.45Å; G121-T124 PolarHBondContact O-N 3.48Å; G121-T124 VanDerWaalsContact O-N 3.07Å; V122-T124 VanDerWaalsContact C-N 3.26Å; V122-T124 PolarHBondContact O-N 3.34Å; T124-K127 PolarHBondContact O-N 3.5Å; T124-Y128 HydrophobicContact CG2-CE2 4.07Å; T124-Y128 PolarHBondContact O-N 3.17Å; T124-Y128 VanDerWaalsContact O-N 3.14Å; T124-V150 HydrophobicContact CG2-CG1 3.88Å; T124-R154 WeakPolarHBondContact OG1-CD 3.36Å; T124-I155 HydrophobicContact CG2-CD1 3.86Å; T124-I155 HydrophobicContact CG2-CG1 4.41Å
125I93.9Very high91.9Very high0 Ų060.2 Ų60.20%028%0.283CS..Hα-helixtrans-62-45.8174.3-64.9166.8000110.1G121 V122 K127 Y128 L129 I155 F164 F165 L207G121-I125 VanDerWaalsContact O-CG1 3.31Å; G121-I125 WeakPolarHBondContact O-CG1 2.94Å; G121-I125 PolarHBondContact O-N 3.46Å; V122-I125 PolarHBondContact O-N 3.41Å; I125-K127 VanDerWaalsContact C-N 3.29Å; I125-K127 PolarHBondContact O-N 2.97Å; I125-Y128 PolarHBondContact O-N 3.1Å; I125-Y128 VanDerWaalsContact O-N 3.08Å; I125-L129 HydrophobicContact CG2-CD1 4.26Å; I125-L129 WeakPolarHBondContact O-CG 3.32Å; I125-L129 PolarHBondContact O-N 2.83Å; I125-I155 HydrophobicContact CD1-CG2 4.43Å; I125-I155 HydrophobicContact CG1-CD1 3.75Å; I125-I155 HydrophobicContact CG1-CG1 4.05Å; I125-I155 HydrophobicContact CG1-CG2 4.47Å; I125-F164 HydrophobicContact CG2-CD1 4.24Å; I125-F164 HydrophobicContact CG2-CE1 3.67Å; I125-F165 HydrophobicContact CD1-CE2 4.36Å; I125-F165 HydrophobicContact CG1-CE2 4.16Å; I125-F165 HydrophobicContact CG1-CZ 3.91Å; I125-F165 HydrophobicContact CG2-CZ 4.24Å; I125-L207 HydrophobicContact CB-CD2 4.03Å; I125-L207 HydrophobicContact CD1-CD2 4.29Å; I125-L207 HydrophobicContact CG2-CD2 3.7Å
126A94.3Very high91.6Very high7 Ų759.8 Ų59.86%0.05829%0.292CS..Hα-helixtrans-57.1-41.7177.300000112V122 L129 D130 K204 L208V122-A126 WeakPolarHBondContact O-CB 3.42Å; V122-A126 PolarHBondContact O-N 3.4Å; A126-L129 PolarHBondContact O-N 3.14Å; A126-D130 WeakPolarHBondContact O-CB 3.41Å; A126-D130 PolarHBondContact O-N 2.74Å; A126-K204 HydrophobicContact CB-CG 4.19Å; A126-L208 HydrophobicContact CB-CD2 4.29Å
127K92.9Very high91.1Very high128 Ų12862.8 Ų62.856%0.55730%0.302SS*.Hα-helixtrans-63.9-38.7174.6-74.8173.4-177.1179.50113.3D123 T124 I125 D130 N131D123-K127 VanDerWaalsContact O-CG 3.32Å; D123-K127 WeakPolarHBondContact O-CG 3.28Å; D123-K127 PolarHBondContact O-N 2.74Å; D123-K127 VanDerWaalsContact O-N 3.13Å; T124-K127 PolarHBondContact O-N 3.5Å; I125-K127 VanDerWaalsContact C-N 3.29Å; I125-K127 PolarHBondContact O-N 2.97Å; K127-D130 PolarHBondContact O-N 3.46Å; K127-N131 VanDerWaalsContact O-CG 3.27Å; K127-N131 PolarHBondContact O-N 3.44Å; K127-N131 PolarHBondContact O-ND2 2.79Å
128Y91.5Very high90.9Very high45 Ų4559.2 Ų59.218%0.17629%0.291CS..Hα-helixtrans-63.5-43.7174.7-70.7-38.4000111.5T124 I125 D130 N131 I132 I144 F151 I155T124-Y128 HydrophobicContact CG2-CE2 4.07Å; T124-Y128 PolarHBondContact O-N 3.17Å; T124-Y128 VanDerWaalsContact O-N 3.14Å; I125-Y128 PolarHBondContact O-N 3.1Å; I125-Y128 VanDerWaalsContact O-N 3.08Å; Y128-D130 VanDerWaalsContact C-N 3.34Å; Y128-N131 PolarHBondContact O-N 3.05Å; Y128-I132 WeakPolarHBondContact O-CG1 3.36Å; Y128-I132 PolarHBondContact O-N 3.42Å; Y128-I144 HydrophobicContact CD2-CD1 3.9Å; Y128-I144 HydrophobicContact CE2-CD1 4.47Å; Y128-I144 HydrophobicContact CE2-CG2 4.07Å; Y128-I144 HydrophobicContact CG-CD1 4.04Å; Y128-F151 HydrophobicContact CE2-CD2 4.3Å; Y128-I155 HydrophobicContact CD2-CD1 4.11Å; Y128-I155 HydrophobicContact CE2-CD1 3.66Å
129L90.8Very high90.3Very high5 Ų564.2 Ų64.23%0.02631%0.314CS..Hα-helixtrans-65.8-37.2176.8-61.6179.1000112.1I125 A126 I132 H133 I168 F170 L200 K204I125-L129 HydrophobicContact CG2-CD1 4.26Å; I125-L129 WeakPolarHBondContact O-CG 3.32Å; I125-L129 PolarHBondContact O-N 2.83Å; A126-L129 PolarHBondContact O-N 3.14Å; L129-I132 PolarHBondContact O-N 3.13Å; L129-H133 WeakPolarHBondContact O-CB 3.07Å; L129-H133 PolarHBondContact O-N 3.39Å; L129-I168 HydrophobicContact CD2-CD1 3.89Å; L129-F170 HydrophobicContact CD2-CE2 4.29Å; L129-L200 HydrophobicContact CD2-CD2 4.31Å; L129-K204 HydrophobicContact CB-CB 4.48Å; L129-K204 HydrophobicContact CD1-CB 3.84Å; L129-K204 HydrophobicContact CD1-CG 4.44Å
130D91.1Very high90Very high52 Ų5263.8 Ų63.828%0.27831%0.313SS..Hα-helixtrans-63.7-43.1175-79.6-24.9000112.5A126 K127 Y128 I132 H133 L134 K204A126-D130 WeakPolarHBondContact O-CB 3.41Å; A126-D130 PolarHBondContact O-N 2.74Å; K127-D130 PolarHBondContact O-N 3.46Å; Y128-D130 VanDerWaalsContact C-N 3.34Å; D130-I132 VanDerWaalsContact C-N 3.3Å; D130-I132 PolarHBondContact O-N 3.47Å; D130-H133 PolarHBondContact O-N 3.08Å; D130-L134 WeakPolarHBondContact O-CB 3.48Å; D130-L134 VanDerWaalsContact O-CG 3.27Å; D130-L134 WeakPolarHBondContact O-CG 3.12Å; D130-L134 PolarHBondContact O-N 2.9Å; D130-K204 WeakPolarHBondContact OD1-CE 3.43Å; D130-K204 IonicContact OD1-NZ 2.91Å; D130-K204 PolarHBondContact OD1-NZ 2.59Å; D130-K204 WeakPolarHBondContact OD2-CE 3.47Å; D130-K204 IonicContact OD2-NZ 3.57Å; D130-K204 PolarHBondContact OD2-NZ 3.44Å
131N91.6Very high89.7Confident58 Ų5862.9 Ų62.931%0.3130%0.304SS..Hα-helixtrans-62.6-39.1177.4-70.2-22000111.9K127 Y128 H135 Y141K127-N131 VanDerWaalsContact O-CG 3.27Å; K127-N131 PolarHBondContact O-N 3.44Å; K127-N131 PolarHBondContact O-ND2 2.79Å; Y128-N131 PolarHBondContact O-N 3.05Å; N131-H135 PolarHBondContact O-N 3.19Å; N131-Y141 HydrophobicContact CB-CD1 3.77Å; N131-Y141 HydrophobicContact CB-CE1 4.18Å; N131-Y141 HydrophobicContact CB-CG 4.05Å
132I88.3Confident89.3Confident10 Ų1063.5 Ų63.55%0.05131%0.306CS..Hα-helixtrans-66.6-40.3175.6-66.1165.5000110.8Y128 L129 D130 H135 P136 Y141 F170 L189 L200Y128-I132 WeakPolarHBondContact O-CG1 3.36Å; Y128-I132 PolarHBondContact O-N 3.42Å; L129-I132 PolarHBondContact O-N 3.13Å; D130-I132 VanDerWaalsContact C-N 3.3Å; D130-I132 PolarHBondContact O-N 3.47Å; I132-H135 CarbonylContact O-C 3.49Å; I132-P136 WeakPolarHBondContact O-CA 3.33Å; I132-Y141 WeakPolarHBondContact CD1-O 3.29Å; I132-Y141 WeakPolarHBondContact CG1-O 3.46Å; I132-F170 HydrophobicContact CD1-CE1 4.31Å; I132-F170 HydrophobicContact CD1-CZ 3.62Å; I132-L189 HydrophobicContact CG2-CD2 3.95Å; I132-L200 HydrophobicContact CG2-CD1 4.26Å
133H85.4Confident89.1Confident106 Ų10667 Ų6749%0.49132%0.321SS..Hα-helixtrans-68.8-40.5179.2-175.970.1000112.7L129 D130L129-H133 WeakPolarHBondContact O-CB 3.07Å; L129-H133 PolarHBondContact O-N 3.39Å; D130-H133 PolarHBondContact O-N 3.08Å
134L87.6Confident88.9Confident117 Ų11764.4 Ų64.461%0.61331%0.307SS*.Hα-helixtrans-74.2-33.3179.7-69.6170.9000112.8D130D130-L134 WeakPolarHBondContact O-CB 3.48Å; D130-L134 VanDerWaalsContact O-CG 3.27Å; D130-L134 WeakPolarHBondContact O-CG 3.12Å; D130-L134 PolarHBondContact O-N 2.9Å
135H87.3Confident88.7Confident79 Ų7967.3 Ų67.337%0.36632%0.319SS..  trans-129.768.4-175.9-61.4-80.6000111.5N131 I132 E137 E138 Y141N131-H135 PolarHBondContact O-N 3.19Å; I132-H135 CarbonylContact O-C 3.49Å; H135-E137 VanDerWaalsContact C-N 3.29Å; H135-E137 PolarHBondContact O-N 3.18Å; H135-E138 HydrophobicContact CB-CB 4.26Å; H135-E138 HydrophobicContact CB-CG 4.22Å; H135-E138 IonicContact ND1-OE1 3.58Å; H135-E138 PolarHBondContact O-N 3.02Å; H135-Y141 HydrophobicContact CB-CD2 3.66Å; H135-Y141 HydrophobicContact CB-CE2 3.74Å; H135-Y141 AromaticContact CG-CE2 3.94Å
136P83.4Confident88.5Confident79 Ų7967.8 Ų67.851%0.51332%0.322SS..THydrogen-bonded Turntrans-68.2-25.5-174.627-35000113.6I132 E138 Q142I132-P136 WeakPolarHBondContact O-CA 3.33Å; P136-E138 VanDerWaalsContact C-N 3.33Å; P136-Q142 PolarHBondContact O-NE2 3.48Å
137E82.8Confident88.2Confident185 Ų18570.5 Ų70.586%0.86433%0.333SS*.THydrogen-bonded Turntrans-78.2-18.7-179.6-59-175.9179.400112.9H135 E139H135-E137 VanDerWaalsContact C-N 3.29Å; H135-E137 PolarHBondContact O-N 3.18Å; E137-E139 PolarHBondContact O-N 3.45Å
138E87.5Confident88Confident69 Ų6967.7 Ų67.732%0.32232%0.324SS..  trans-88102.8-174.6-67.8-168.3-151.600111.8H135 P136 K140 Y141H135-E138 HydrophobicContact CB-CB 4.26Å; H135-E138 HydrophobicContact CB-CG 4.22Å; H135-E138 IonicContact ND1-OE1 3.58Å; H135-E138 PolarHBondContact O-N 3.02Å; P136-E138 VanDerWaalsContact C-N 3.33Å; E138-K140 HydrophobicContact CB-CG 4.42Å; E138-K140 PolarHBondContact O-N 2.68Å; E138-K140 WeakPolarHBondContact OE2-CD 3.45Å; E138-K140 WeakPolarHBondContact OE2-CE 3.18Å; E138-K140 IonicContact OE2-NZ 2.61Å; E138-K140 PolarHBondContact OE2-NZ 2.96Å; E138-Y141 HydrophobicContact CB-CD2 3.78Å; E138-Y141 HydrophobicContact CB-CE2 4.19Å; E138-Y141 PolarHBondContact O-N 3.33Å; E138-Y141 VanDerWaalsContact O-N 3.12Å; E138-Y141 WeakPolarHBondContact OE2-CE2 3.31Å
139E82.6Confident88.1Confident108 Ų10872.8 Ų72.851%0.50535%0.347SS..THydrogen-bonded Turntrans-55.9-25.3179.4-66.8-159.9172.100114.3E137 Y141 Q142 K143E137-E139 PolarHBondContact O-N 3.45Å; E139-Y141 PolarHBondContact O-N 2.89Å; E139-Q142 WeakPolarHBondContact O-CB 3.44Å; E139-Q142 PolarHBondContact O-N 2.82Å; E139-Q142 VanDerWaalsContact O-N 3.11Å; E139-K143 IonicContact OE2-NZ 2.83Å; E139-K143 PolarHBondContact OE2-NZ 2.89Å
140K87.2Confident88.1Confident129 Ų12975.3 Ų75.356%0.56136%0.363SS*.THydrogen-bonded Turntrans-62-32.1-179.181.4-169.8-164.9-151.60112.3E138E138-K140 HydrophobicContact CB-CG 4.42Å; E138-K140 PolarHBondContact O-N 2.68Å; E138-K140 WeakPolarHBondContact OE2-CD 3.45Å; E138-K140 WeakPolarHBondContact OE2-CE 3.18Å; E138-K140 IonicContact OE2-NZ 2.61Å; E138-K140 PolarHBondContact OE2-NZ 2.96Å
141Y87.4Confident88.2Confident68 Ų6872.8 Ų72.827%0.26735%0.349SS..THydrogen-bonded Turntrans-83.7-17.6178-64-56.9000112.6N131 I132 H135 E138 E139 K143N131-Y141 HydrophobicContact CB-CD1 3.77Å; N131-Y141 HydrophobicContact CB-CE1 4.18Å; N131-Y141 HydrophobicContact CB-CG 4.05Å; I132-Y141 WeakPolarHBondContact CD1-O 3.29Å; I132-Y141 WeakPolarHBondContact CG1-O 3.46Å; H135-Y141 HydrophobicContact CB-CD2 3.66Å; H135-Y141 HydrophobicContact CB-CE2 3.74Å; H135-Y141 AromaticContact CG-CE2 3.94Å; E138-Y141 HydrophobicContact CB-CD2 3.78Å; E138-Y141 HydrophobicContact CB-CE2 4.19Å; E138-Y141 PolarHBondContact O-N 3.33Å; E138-Y141 VanDerWaalsContact O-N 3.12Å; E138-Y141 WeakPolarHBondContact OE2-CE2 3.31Å; E139-Y141 PolarHBondContact O-N 2.89Å; Y141-K143 VanDerWaalsContact C-N 3.25Å; Y141-K143 PolarHBondContact O-N 3.26Å
142Q86.6Confident88.2Confident13 Ų1374.5 Ų74.56%0.06136%0.355CS..THydrogen-bonded Turntrans-83.5-2.5177.6-56.8167.6100112.6P136 E139 V188 L189P136-Q142 PolarHBondContact O-NE2 3.48Å; E139-Q142 WeakPolarHBondContact O-CB 3.44Å; E139-Q142 PolarHBondContact O-N 2.82Å; E139-Q142 VanDerWaalsContact O-N 3.11Å; Q142-V188 WeakPolarHBondContact O-CA 3.45Å; Q142-L189 HydrophobicContact CB-CB 4.3Å; Q142-L189 PolarHBondContact O-N 3.09Å
143K89.3Confident88.4Confident78 Ų7880.5 Ų80.534%0.33938%0.383SS..EExtended strand (participates in β ladder)trans-122.1123.1179.8-62173.3-174.2159.90109.1E139 Y141 Y187 V188E139-K143 IonicContact OE2-NZ 2.83Å; E139-K143 PolarHBondContact OE2-NZ 2.89Å; Y141-K143 VanDerWaalsContact C-N 3.25Å; Y141-K143 PolarHBondContact O-N 3.26Å; K143-Y187 CarbonylContact C-O 3.52Å; K143-Y187 WeakPolarHBondContact CA-O 3.31Å; K143-V188 HydrophobicContact CG-CG1 4.28Å; K143-V188 HydrophobicContact CG-CG2 4.21Å
144I90.8Very high88.7Confident8 Ų880.3 Ų80.34%0.04138%0.378CS..EExtended strand (participates in β ladder)trans-115.9118.2177.6-55.6171.1000108.4Y128 L146 F151 F165 F170 F186 Y187Y128-I144 HydrophobicContact CD2-CD1 3.9Å; Y128-I144 HydrophobicContact CE2-CD1 4.47Å; Y128-I144 HydrophobicContact CE2-CG2 4.07Å; Y128-I144 HydrophobicContact CG-CD1 4.04Å; I144-L146 PolarHBondContact O-N 3.18Å; I144-F151 HydrophobicContact CG2-CD2 3.75Å; I144-F151 HydrophobicContact CG2-CE2 4.15Å; I144-F165 HydrophobicContact CD1-CE1 3.81Å; I144-F165 HydrophobicContact CD1-CZ 4.43Å; I144-F170 HydrophobicContact CD1-CD1 4.45Å; I144-F170 HydrophobicContact CD1-CE1 3.7Å; I144-F170 HydrophobicContact CD1-CZ 3.97Å; I144-F170 HydrophobicContact CG1-CE1 4.19Å; I144-F186 CarbonylContact O-C 3.5Å; I144-F186 VanDerWaalsContact O-CA 3.31Å; I144-F186 WeakPolarHBondContact O-CA 3.46Å; I144-Y187 PolarHBondContact N-O 2.9Å; I144-Y187 PolarHBondContact O-N 3.32Å
145K90.1Very high88.9Confident70 Ų7074.8 Ų74.830%0.30435%0.349SS..EExtended strand (participates in β ladder)trans-75.4118.7177.3-177.1169.2171158.90110.7Q147 N148 E184 F186K145-Q147 VanDerWaalsContact C-N 3.27Å; K145-Q147 HydrophobicContact CG-CB 4.34Å; K145-Q147 PolarHBondContact O-N 2.97Å; K145-N148 HydrophobicContact CB-CB 4.4Å; K145-N148 VanDerWaalsContact O-CB 3.26Å; K145-N148 WeakPolarHBondContact O-CB 3.34Å; K145-N148 PolarHBondContact O-N 3.39Å; K145-E184 VanDerWaalsContact CE-OE1 3.26Å; K145-E184 WeakPolarHBondContact CE-OE1 3.48Å; K145-E184 WeakPolarHBondContact CE-OE2 3.49Å; K145-E184 IonicContact NZ-OE1 2.59Å; K145-E184 PolarHBondContact NZ-OE1 2.6Å; K145-E184 IonicContact NZ-OE2 2.74Å; K145-E184 PolarHBondContact NZ-OE2 3.36Å; K145-F186 HydrophobicContact CB-CD1 3.93Å; K145-F186 HydrophobicContact CB-CE1 3.56Å; K145-F186 HydrophobicContact CB-CZ 4.24Å; K145-F186 HydrophobicContact CD-CE1 4.2Å; K145-F186 HydrophobicContact CD-CZ 4.12Å; K145-F186 HydrophobicContact CG-CE1 3.92Å; K145-F186 HydrophobicContact CG-CZ 4.09Å
146L89.7Confident89.1Confident10 Ų1074.7 Ų74.75%0.05235%0.351CS..THydrogen-bonded Turntrans-67.4-28.9-179-83.867.1000112.1I144 N148 F151 Q152 K172 E185 Y187I144-L146 PolarHBondContact O-N 3.18Å; L146-N148 PolarHBondContact O-N 3.05Å; L146-F151 HydrophobicContact CB-CD1 4.41Å; L146-F151 HydrophobicContact CB-CE1 4.35Å; L146-F151 HydrophobicContact CG-CD1 4.43Å; L146-F151 HydrophobicContact CG-CE1 3.92Å; L146-F151 HydrophobicContact CG-CZ 4.33Å; L146-F151 WeakPolarHBondContact O-CD1 3.44Å; L146-Q152 VanDerWaalsContact O-CG 3.28Å; L146-Q152 WeakPolarHBondContact O-CG 3.22Å; L146-K172 HydrophobicContact CD2-CD 4.41Å; L146-E185 HydrophobicContact CB-CB 4.28Å; L146-E185 WeakPolarHBondContact CD1-O 3.38Å; L146-E185 HydrophobicContact CD2-CB 4.1Å; L146-E185 PolarHBondContact N-O 3.35Å; L146-Y187 HydrophobicContact CD1-CD2 3.36Å; L146-Y187 HydrophobicContact CD1-CE2 3.88Å; L146-Y187 HydrophobicContact CD1-CG 3.85Å; L146-Y187 VanDerWaalsContact CD1-N 3.29Å; L146-Y187 HydrophobicContact CD2-CD2 4.4Å; L146-Y187 HydrophobicContact CD2-CE2 4.06Å; L146-Y187 HydrophobicContact CG-CD2 3.99Å; L146-Y187 HydrophobicContact CG-CE2 4.05Å
147Q88.2Confident89.5Confident64 Ų6473.8 Ų73.830%0.29935%0.346SS..THydrogen-bonded Turntrans-77.2-1.6177.1-64.578.76.100113.8K145 K149 E185K145-Q147 VanDerWaalsContact C-N 3.27Å; K145-Q147 HydrophobicContact CG-CB 4.34Å; K145-Q147 PolarHBondContact O-N 2.97Å; Q147-K149 PolarHBondContact O-N 3.45Å; Q147-E185 PolarHBondContact OE1-O 3.35Å
148N90Very high89.9Confident69 Ų6965.2 Ų65.237%0.36931%0.306SS..  trans-65.9130.9176.5-174-40.7000110.1K145 L146 V150 F151 Q152K145-N148 HydrophobicContact CB-CB 4.4Å; K145-N148 VanDerWaalsContact O-CB 3.26Å; K145-N148 WeakPolarHBondContact O-CB 3.34Å; K145-N148 PolarHBondContact O-N 3.39Å; L146-N148 PolarHBondContact O-N 3.05Å; N148-V150 PolarHBondContact O-N 3.17Å; N148-V150 VanDerWaalsContact O-N 3.16Å; N148-V150 PolarHBondContact OD1-N 3.44Å; N148-F151 HydrophobicContact CB-CB 4.27Å; N148-F151 WeakPolarHBondContact O-CA 3.43Å; N148-F151 WeakPolarHBondContact O-CB 3.37Å; N148-F151 PolarHBondContact O-N 3.43Å; N148-Q152 PolarHBondContact O-N 3.29Å
149K92.1Very high90.2Very high152 Ų15266.8 Ų66.866%0.66131%0.314SS*.Hα-helixtrans-50-42.3178.7-68.5-169.1175.2-173.60113.1Q147 F151 Q152 E153Q147-K149 PolarHBondContact O-N 3.45Å; K149-F151 VanDerWaalsContact C-N 3.33Å; K149-F151 PolarHBondContact O-N 3.38Å; K149-Q152 PolarHBondContact O-N 3.44Å; K149-E153 WeakPolarHBondContact O-CB 3.05Å; K149-E153 VanDerWaalsContact O-CG 3.31Å; K149-E153 WeakPolarHBondContact O-CG 3.35Å; K149-E153 PolarHBondContact O-N 3.24Å
150V92.1Very high90.6Very high57 Ų5761.8 Ų61.835%0.34529%0.291SS..Hα-helixtrans-64.4-40.3-179.8-179.20000111.1T124 N148 R154T124-V150 HydrophobicContact CG2-CG1 3.88Å; N148-V150 PolarHBondContact O-N 3.17Å; N148-V150 VanDerWaalsContact O-N 3.16Å; N148-V150 PolarHBondContact OD1-N 3.44Å; V150-R154 VanDerWaalsContact O-CB 3.31Å; V150-R154 WeakPolarHBondContact O-CB 3.33Å; V150-R154 WeakPolarHBondContact O-CG 3.16Å; V150-R154 PolarHBondContact O-N 3.05Å
151F92.2Very high90.9Very high0 Ų055.7 Ų55.70%026%0.264CS..Hα-helixtrans-68.1-47.3177-173-86.5000111Y128 I144 L146 N148 K149 E153 I155 N156 F165 Y187Y128-F151 HydrophobicContact CE2-CD2 4.3Å; I144-F151 HydrophobicContact CG2-CD2 3.75Å; I144-F151 HydrophobicContact CG2-CE2 4.15Å; L146-F151 HydrophobicContact CB-CD1 4.41Å; L146-F151 HydrophobicContact CB-CE1 4.35Å; L146-F151 HydrophobicContact CG-CD1 4.43Å; L146-F151 HydrophobicContact CG-CE1 3.92Å; L146-F151 HydrophobicContact CG-CZ 4.33Å; L146-F151 WeakPolarHBondContact O-CD1 3.44Å; N148-F151 HydrophobicContact CB-CB 4.27Å; N148-F151 WeakPolarHBondContact O-CA 3.43Å; N148-F151 WeakPolarHBondContact O-CB 3.37Å; N148-F151 PolarHBondContact O-N 3.43Å; K149-F151 VanDerWaalsContact C-N 3.33Å; K149-F151 PolarHBondContact O-N 3.38Å; F151-E153 PolarHBondContact O-N 2.87Å; F151-I155 HydrophobicContact CD2-CB 4.14Å; F151-I155 HydrophobicContact CD2-CD1 3.83Å; F151-I155 HydrophobicContact CD2-CG2 4.16Å; F151-I155 HydrophobicContact CE1-CG2 4.44Å; F151-I155 HydrophobicContact CE2-CB 4.14Å; F151-I155 HydrophobicContact CE2-CD1 4.13Å; F151-I155 HydrophobicContact CE2-CG2 3.65Å; F151-I155 HydrophobicContact CG-CB 4.44Å; F151-I155 HydrophobicContact CZ-CB 4.42Å; F151-I155 HydrophobicContact CZ-CG2 3.79Å; F151-I155 WeakPolarHBondContact O-CA 3.29Å; F151-I155 WeakPolarHBondContact O-CB 3.33Å; F151-I155 PolarHBondContact O-N 3Å; F151-N156 HydrophobicContact CD1-CB 4.22Å; F151-N156 HydrophobicContact CE1-CB 4.12Å; F151-N156 PolarHBondContact O-N 3.5Å; F151-F165 HydrophobicContact CE2-CD2 4.44Å; F151-F165 AromaticContact CE2-CE2 3.86Å; F151-F165 HydrophobicContact CE2-CE2 3.86Å; F151-F165 HydrophobicContact CE2-CZ 4.17Å; F151-F165 HydrophobicContact CZ-CE2 4.34Å; F151-Y187 HydrophobicContact CE2-CD2 4.3Å; F151-Y187 AromaticContact CZ-CD2 3.98Å; F151-Y187 HydrophobicContact CZ-CD2 3.98Å; F151-Y187 AromaticContact CZ-CE2 3.87Å; F151-Y187 HydrophobicContact CZ-CE2 3.87Å
152Q92.2Very high91.1Very high93 Ų9355 Ų5544%0.43526%0.263SS..Hα-helixtrans-61.6-46.2-179.1-69.3-176.1-21.400112.8L146 N148 K149L146-Q152 VanDerWaalsContact O-CG 3.28Å; L146-Q152 WeakPolarHBondContact O-CG 3.22Å; N148-Q152 PolarHBondContact O-N 3.29Å; K149-Q152 PolarHBondContact O-N 3.44Å
153E92.5Very high91.5Very high137 Ų13757.2 Ų57.264%0.6427%0.274SS*.Hα-helixtrans-75.2-35.2-174.9-70.5174.9-176.700112.8K149 F151 C157K149-E153 WeakPolarHBondContact O-CB 3.05Å; K149-E153 VanDerWaalsContact O-CG 3.31Å; K149-E153 WeakPolarHBondContact O-CG 3.35Å; K149-E153 PolarHBondContact O-N 3.24Å; F151-E153 PolarHBondContact O-N 2.87Å; E153-C157 PolarHBondContact O-SG 3.3Å
154R92.1Very high91.8Very high102 Ų10253.5 Ų53.539%0.38526%0.258SS..Hα-helixtrans-105.6-31-169.9-56.7-174-178.6-167.7-2.2115G121 T124 V150 L158G121-R154 WeakPolarHBondContact CA-O 3.39Å; T124-R154 WeakPolarHBondContact OG1-CD 3.36Å; V150-R154 VanDerWaalsContact O-CB 3.31Å; V150-R154 WeakPolarHBondContact O-CB 3.33Å; V150-R154 WeakPolarHBondContact O-CG 3.16Å; V150-R154 PolarHBondContact O-N 3.05Å; R154-L158 WeakPolarHBondContact O-CD1 3.39Å
155I92Very high91.9Very high0 Ų053.1 Ų53.10%026%0.256CS..THydrogen-bonded Turntrans-112.2-51.2-170.5-64.1174.8000110.3T124 I125 Y128 F151 C157 L158 S161 F165T124-I155 HydrophobicContact CG2-CD1 3.86Å; T124-I155 HydrophobicContact CG2-CG1 4.41Å; I125-I155 HydrophobicContact CD1-CG2 4.43Å; I125-I155 HydrophobicContact CG1-CD1 3.75Å; I125-I155 HydrophobicContact CG1-CG1 4.05Å; I125-I155 HydrophobicContact CG1-CG2 4.47Å; Y128-I155 HydrophobicContact CD2-CD1 4.11Å; Y128-I155 HydrophobicContact CE2-CD1 3.66Å; F151-I155 HydrophobicContact CD2-CB 4.14Å; F151-I155 HydrophobicContact CD2-CD1 3.83Å; F151-I155 HydrophobicContact CD2-CG2 4.16Å; F151-I155 HydrophobicContact CE1-CG2 4.44Å; F151-I155 HydrophobicContact CE2-CB 4.14Å; F151-I155 HydrophobicContact CE2-CD1 4.13Å; F151-I155 HydrophobicContact CE2-CG2 3.65Å; F151-I155 HydrophobicContact CG-CB 4.44Å; F151-I155 HydrophobicContact CZ-CB 4.42Å; F151-I155 HydrophobicContact CZ-CG2 3.79Å; F151-I155 WeakPolarHBondContact O-CA 3.29Å; F151-I155 WeakPolarHBondContact O-CB 3.33Å; F151-I155 PolarHBondContact O-N 3Å; I155-C157 PolarHBondContact O-N 3.4Å; I155-C157 VanDerWaalsContact O-N 3.1Å; I155-L158 WeakPolarHBondContact O-CB 3.3Å; I155-L158 PolarHBondContact O-N 3.11Å; I155-S161 PolarHBondContact O-OG 3.2Å; I155-S161 VanDerWaalsContact O-OG 3.06Å; I155-F165 HydrophobicContact CD1-CZ 4.43Å; I155-F165 HydrophobicContact CG2-CE2 3.69Å; I155-F165 HydrophobicContact CG2-CZ 4.49Å
156N90.7Very high92Very high78 Ų7854.9 Ų54.942%0.41727%0.265SS..THydrogen-bonded Turntrans-61.7-23-176.7-16683.7000113.1F151 L158 H162F151-N156 HydrophobicContact CD1-CB 4.22Å; F151-N156 HydrophobicContact CE1-CB 4.12Å; F151-N156 PolarHBondContact O-N 3.5Å; N156-L158 VanDerWaalsContact C-N 3.3Å; N156-H162 PolarHBondContact OD1-CE1 3.24Å; N156-H162 VanDerWaalsContact OD1-CE1 3.29Å; N156-H162 PolarHBondContact OD1-NE2 2.66Å; N156-H162 VanDerWaalsContact OD1-NE2 3.16Å
157C90.5Very high92.2Very high59 Ų5956 Ų5640%0.39928%0.276SS..THydrogen-bonded Turntrans-78.8-10.1175.367.20000114.1E153 I155E153-C157 PolarHBondContact O-SG 3.3Å; I155-C157 PolarHBondContact O-N 3.4Å; I155-C157 VanDerWaalsContact O-N 3.1Å
158L92.8Very high92.4Very high5 Ų553.3 Ų53.33%0.02626%0.264CS..SBendtrans-94.1123.9-178.9-61.7179.7000111.1N112 R117 V118 R154 I155 N156 G160 S161N112-L158 HydrophobicContact CB-CD2 4.37Å; R117-L158 HydrophobicContact CB-CD2 4.22Å; V118-L158 HydrophobicContact CG2-CD2 4.17Å; R154-L158 WeakPolarHBondContact O-CD1 3.39Å; I155-L158 WeakPolarHBondContact O-CB 3.3Å; I155-L158 PolarHBondContact O-N 3.11Å; N156-L158 VanDerWaalsContact C-N 3.3Å; L158-G160 PolarHBondContact O-N 3.47Å; L158-S161 WeakPolarHBondContact O-CB 3.48Å; L158-S161 PolarHBondContact O-N 2.77Å; L158-S161 PolarHBondContact O-OG 3.4Å
159E92.3Very high92.4Very high103 Ų10351.1 Ų51.148%0.48126%0.257SS..THydrogen-bonded Turntrans-65.2131.2172.1-65.9-175.4-161.400110.5I108 F111 N112I108-E159 WeakPolarHBondContact CA-O 3.31Å; F111-E159 HydrophobicContact CB-CB 4.34Å; F111-E159 WeakPolarHBondContact CD2-OE2 3.38Å; N112-E159 PolarHBondContact ND2-N 3.48Å; N112-E159 PolarHBondContact ND2-O 3.4Å; N112-E159 VanDerWaalsContact ND2-O 3.08Å; N112-E159 PolarHBondContact OD1-N 3.29Å; N112-E159 VanDerWaalsContact OD1-N 3.13Å
160G91.7Very high92.4Very high3 Ų344 Ų443%0.03123%0.227CC..THydrogen-bonded Turntrans95.3-9.8-178.900000115.2I108 L158 E163 F164I108-G160 VanDerWaalsContact CG1-C 3.49Å; L158-G160 PolarHBondContact O-N 3.47Å; G160-E163 WeakPolarHBondContact CA-OE2 3.35Å; G160-E163 PolarHBondContact N-OE2 2.96Å; G160-F164 WeakPolarHBondContact O-CB 3.43Å; G160-F164 PolarHBondContact O-N 3.36Å; G160-F164 VanDerWaalsContact O-N 3.09Å
161S93.2Very high92.4Very high0 Ų047.4 Ų47.40%024%0.237CC..Hα-helixtrans-67.7-43.4-177.858.70000112.7I155 L158 F164 F165I155-S161 PolarHBondContact O-OG 3.2Å; I155-S161 VanDerWaalsContact O-OG 3.06Å; L158-S161 WeakPolarHBondContact O-CB 3.48Å; L158-S161 PolarHBondContact O-N 2.77Å; L158-S161 PolarHBondContact O-OG 3.4Å; S161-F164 WeakPolarHBondContact O-CB 3.29Å; S161-F164 PolarHBondContact O-N 3Å; S161-F165 WeakPolarHBondContact O-CD2 3.44Å; S161-F165 PolarHBondContact O-N 2.99Å; S161-F165 VanDerWaalsContact O-N 3.08Å
162H92.9Very high92.4Very high53 Ų5352.2 Ų52.225%0.24526%0.258CS..Hα-helixtrans-63.1-46.2178.7-68.5-72.7000111.7N156 F164 F165 E166 Y187N156-H162 PolarHBondContact OD1-CE1 3.24Å; N156-H162 VanDerWaalsContact OD1-CE1 3.29Å; N156-H162 PolarHBondContact OD1-NE2 2.66Å; N156-H162 VanDerWaalsContact OD1-NE2 3.16Å; H162-F164 PolarHBondContact O-N 3.32Å; H162-F165 PolarHBondContact O-N 3.48Å; H162-E166 PolarHBondContact O-N 3.32Å; H162-Y187 WeakPolarHBondContact CB-OH 3.49Å; H162-Y187 AromaticContact ND1-CE2 3.76Å; H162-Y187 AromaticContact ND1-CZ 3.75Å; H162-Y187 PolarHBondContact ND1-OH 3.44Å
163E93.7Very high92.3Very high60 Ų6050.4 Ų50.428%0.2825%0.252SS..Hα-helixtrans-64.4-33.2177.9-5893.2146.600111.6F96 S104 K107 G160 E166 A167F96-E163 HydrophobicContact CE1-CB 3.77Å; F96-E163 HydrophobicContact CE1-CG 4.27Å; F96-E163 HydrophobicContact CZ-CB 4.2Å; S104-E163 PolarHBondContact OG-O 3.23Å; K107-E163 IonicContact NZ-OE1 2.64Å; K107-E163 PolarHBondContact NZ-OE1 3.47Å; G160-E163 WeakPolarHBondContact CA-OE2 3.35Å; G160-E163 PolarHBondContact N-OE2 2.96Å; E163-E166 PolarHBondContact O-N 3.45Å; E163-A167 WeakPolarHBondContact O-CB 3.38Å; E163-A167 PolarHBondContact O-N 2.9Å
164F95.1Very high92.2Very high0 Ų047.2 Ų47.20%024%0.242CC..Hα-helixtrans-63.3-47.3172.8179-100.2000111.9V101 S104 I105 I108 I125 G160 S161 H162 E166 A167 I168 L207V101-F164 HydrophobicContact CG1-CD2 4.32Å; V101-F164 HydrophobicContact CG1-CE2 3.95Å; S104-F164 PolarHBondContact OG-N 2.96Å; I105-F164 HydrophobicContact CD1-CE2 3.97Å; I105-F164 HydrophobicContact CG1-CD2 3.77Å; I105-F164 HydrophobicContact CG1-CE2 3.62Å; I108-F164 HydrophobicContact CD1-CB 3.84Å; I108-F164 HydrophobicContact CD1-CG 4.19Å; I125-F164 HydrophobicContact CG2-CD1 4.24Å; I125-F164 HydrophobicContact CG2-CE1 3.67Å; G160-F164 WeakPolarHBondContact O-CB 3.43Å; G160-F164 PolarHBondContact O-N 3.36Å; G160-F164 VanDerWaalsContact O-N 3.09Å; S161-F164 WeakPolarHBondContact O-CB 3.29Å; S161-F164 PolarHBondContact O-N 3Å; H162-F164 PolarHBondContact O-N 3.32Å; F164-E166 VanDerWaalsContact C-N 3.33Å; F164-E166 PolarHBondContact O-N 3.06Å; F164-A167 PolarHBondContact O-N 3.2Å; F164-I168 HydrophobicContact CD1-CD1 4.21Å; F164-I168 HydrophobicContact CD2-CG2 4.29Å; F164-I168 HydrophobicContact CE1-CD1 3.75Å; F164-I168 HydrophobicContact CE1-CG2 4.15Å; F164-I168 HydrophobicContact CE2-CG2 3.84Å; F164-I168 HydrophobicContact CZ-CD1 4.3Å; F164-I168 HydrophobicContact CZ-CG2 3.77Å; F164-I168 WeakPolarHBondContact O-CG1 3.36Å; F164-I168 WeakPolarHBondContact O-CG2 3.2Å; F164-I168 PolarHBondContact O-N 3.29Å; F164-L207 HydrophobicContact CE1-CD2 4.03Å; F164-L207 HydrophobicContact CE2-CB 4.49Å; F164-L207 HydrophobicContact CE2-CD1 4.38Å; F164-L207 HydrophobicContact CZ-CB 4.26Å; F164-L207 HydrophobicContact CZ-CD1 4.49Å; F164-L207 HydrophobicContact CZ-CD2 3.98Å; F164-L207 HydrophobicContact CZ-CG 4.47Å
165F94Very high91.7Very high0 Ų045.3 Ų45.30%024%0.239CC..Hα-helixtrans-60.4-43.2177.4-82.4-70.6000111.9I125 I144 F151 I155 S161 H162 I168 G169 F170 Y187I125-F165 HydrophobicContact CD1-CE2 4.36Å; I125-F165 HydrophobicContact CG1-CE2 4.16Å; I125-F165 HydrophobicContact CG1-CZ 3.91Å; I125-F165 HydrophobicContact CG2-CZ 4.24Å; I144-F165 HydrophobicContact CD1-CE1 3.81Å; I144-F165 HydrophobicContact CD1-CZ 4.43Å; F151-F165 HydrophobicContact CE2-CD2 4.44Å; F151-F165 AromaticContact CE2-CE2 3.86Å; F151-F165 HydrophobicContact CE2-CE2 3.86Å; F151-F165 HydrophobicContact CE2-CZ 4.17Å; F151-F165 HydrophobicContact CZ-CE2 4.34Å; I155-F165 HydrophobicContact CD1-CZ 4.43Å; I155-F165 HydrophobicContact CG2-CE2 3.69Å; I155-F165 HydrophobicContact CG2-CZ 4.49Å; S161-F165 WeakPolarHBondContact O-CD2 3.44Å; S161-F165 PolarHBondContact O-N 2.99Å; S161-F165 VanDerWaalsContact O-N 3.08Å; H162-F165 PolarHBondContact O-N 3.48Å; F165-I168 HydrophobicContact CD1-CD1 4.3Å; F165-I168 WeakPolarHBondContact O-CG1 3.39Å; F165-G169 PolarHBondContact O-N 3.4Å; F165-F170 HydrophobicContact CB-CB 4.2Å; F165-F170 AromaticContact CD1-CD2 3.72Å; F165-F170 HydrophobicContact CD1-CD2 3.72Å; F165-F170 AromaticContact CD1-CE2 3.97Å; F165-F170 HydrophobicContact CD1-CE2 3.97Å; F165-F170 HydrophobicContact CD1-CG 4.04Å; F165-F170 HydrophobicContact CD1-CZ 4.46Å; F165-F170 HydrophobicContact CE1-CE2 4.37Å; F165-F170 VanDerWaalsContact O-CB 3.31Å; F165-F170 WeakPolarHBondContact O-CB 3.47Å; F165-F170 PolarHBondContact O-N 3.31Å; F165-Y187 HydrophobicContact CB-CD1 4.33Å; F165-Y187 HydrophobicContact CB-CD2 4.44Å; F165-Y187 HydrophobicContact CB-CE1 4.16Å; F165-Y187 HydrophobicContact CB-CE2 4.3Å; F165-Y187 HydrophobicContact CB-CG 4.48Å; F165-Y187 HydrophobicContact CD2-CE2 4.37Å; F165-Y187 HydrophobicContact CG-CD2 4.36Å; F165-Y187 HydrophobicContact CG-CE2 4.43Å
166E92.6Very high91.1Very high107 Ų10750.3 Ų50.350%0.527%0.272SS..Hα-helixtrans-64.6-42.2176.3-69.9175.4-169.600111.9H162 E163 F164 I168 G169 F170 Y187H162-E166 PolarHBondContact O-N 3.32Å; E163-E166 PolarHBondContact O-N 3.45Å; F164-E166 VanDerWaalsContact C-N 3.33Å; F164-E166 PolarHBondContact O-N 3.06Å; E166-I168 PolarHBondContact O-N 3.07Å; E166-G169 PolarHBondContact O-N 3.5Å; E166-G169 VanDerWaalsContact O-N 3.12Å; E166-F170 WeakPolarHBondContact CA-O 3.38Å; E166-Y187 HydrophobicContact CG-CE1 4.3Å
167A92.4Very high90.3Very high34 Ų3448 Ų4828%0.28126%0.261SS..Hα-helixtrans-65.9-36.1-179.500000113.5P100 V101 E163 F164 G169P100-A167 HydrophobicContact CB-CB 3.82Å; V101-A167 HydrophobicContact CB-CB 4.41Å; V101-A167 HydrophobicContact CG2-CB 3.7Å; E163-A167 WeakPolarHBondContact O-CB 3.38Å; E163-A167 PolarHBondContact O-N 2.9Å; F164-A167 PolarHBondContact O-N 3.2Å; A167-G169 PolarHBondContact O-N 3.18Å
168I92.2Very high88.9Confident8 Ų850.4 Ų50.44%0.04128%0.275CS..THydrogen-bonded Turntrans-81-2.2175.869.7179.8000113.1V101 L129 F164 F165 E166 F170 L200 H203V101-I168 HydrophobicContact CG1-CG2 4.15Å; V101-I168 HydrophobicContact CG2-CG2 4.25Å; L129-I168 HydrophobicContact CD2-CD1 3.89Å; F164-I168 HydrophobicContact CD1-CD1 4.21Å; F164-I168 HydrophobicContact CD2-CG2 4.29Å; F164-I168 HydrophobicContact CE1-CD1 3.75Å; F164-I168 HydrophobicContact CE1-CG2 4.15Å; F164-I168 HydrophobicContact CE2-CG2 3.84Å; F164-I168 HydrophobicContact CZ-CD1 4.3Å; F164-I168 HydrophobicContact CZ-CG2 3.77Å; F164-I168 WeakPolarHBondContact O-CG1 3.36Å; F164-I168 WeakPolarHBondContact O-CG2 3.2Å; F164-I168 PolarHBondContact O-N 3.29Å; F165-I168 HydrophobicContact CD1-CD1 4.3Å; F165-I168 WeakPolarHBondContact O-CG1 3.39Å; E166-I168 PolarHBondContact O-N 3.07Å; I168-F170 HydrophobicContact CD1-CD2 3.79Å; I168-F170 HydrophobicContact CD1-CE2 3.64Å; I168-F170 HydrophobicContact CG1-CD2 3.69Å; I168-F170 HydrophobicContact CG1-CE2 4Å; I168-L200 HydrophobicContact CB-CD2 4.29Å; I168-H203 HydrophobicContact CG2-CB 3.91Å
169G90.4Very high87.6Confident23 Ų2358.1 Ų58.124%0.23732%0.317CS..THydrogen-bonded Turntrans10515.817200000116.4F165 E166 A167 G190F165-G169 PolarHBondContact O-N 3.4Å; E166-G169 PolarHBondContact O-N 3.5Å; E166-G169 VanDerWaalsContact O-N 3.12Å; A167-G169 PolarHBondContact O-N 3.18Å; G169-G190 PolarHBondContact O-N 3.04Å
170F92.5Very high86.4Confident3 Ų359.7 Ų59.71%0.01332%0.324CS..EExtended strand (participates in β ladder)trans-78.9140.1166-71.3-101.5000110.7L129 I132 I144 F165 E166 I168 Y187 V188 L189L129-F170 HydrophobicContact CD2-CE2 4.29Å; I132-F170 HydrophobicContact CD1-CE1 4.31Å; I132-F170 HydrophobicContact CD1-CZ 3.62Å; I144-F170 HydrophobicContact CD1-CD1 4.45Å; I144-F170 HydrophobicContact CD1-CE1 3.7Å; I144-F170 HydrophobicContact CD1-CZ 3.97Å; I144-F170 HydrophobicContact CG1-CE1 4.19Å; F165-F170 HydrophobicContact CB-CB 4.2Å; F165-F170 AromaticContact CD1-CD2 3.72Å; F165-F170 HydrophobicContact CD1-CD2 3.72Å; F165-F170 AromaticContact CD1-CE2 3.97Å; F165-F170 HydrophobicContact CD1-CE2 3.97Å; F165-F170 HydrophobicContact CD1-CG 4.04Å; F165-F170 HydrophobicContact CD1-CZ 4.46Å; F165-F170 HydrophobicContact CE1-CE2 4.37Å; F165-F170 VanDerWaalsContact O-CB 3.31Å; F165-F170 WeakPolarHBondContact O-CB 3.47Å; F165-F170 PolarHBondContact O-N 3.31Å; E166-F170 WeakPolarHBondContact CA-O 3.38Å; I168-F170 HydrophobicContact CD1-CD2 3.79Å; I168-F170 HydrophobicContact CD1-CE2 3.64Å; I168-F170 HydrophobicContact CG1-CD2 3.69Å; I168-F170 HydrophobicContact CG1-CE2 4Å; F170-Y187 HydrophobicContact CB-CD1 3.84Å; F170-Y187 HydrophobicContact CB-CG 4.27Å; F170-V188 CarbonylContact C-O 3.59Å; F170-V188 WeakPolarHBondContact CA-O 3.47Å; F170-L189 HydrophobicContact CD1-CB 4.22Å; F170-L189 HydrophobicContact CD2-CD1 3.93Å; F170-L189 HydrophobicContact CE1-CB 4.03Å; F170-L189 HydrophobicContact CE1-CD1 4.42Å; F170-L189 HydrophobicContact CE2-CD1 3.75Å; F170-L189 HydrophobicContact CG-CD1 4.35Å; F170-L189 HydrophobicContact CZ-CB 4.35Å; F170-L189 HydrophobicContact CZ-CD1 4.03Å
171K91.8Very high85Confident128 Ų12869.9 Ų69.956%0.55737%0.371SS*.EExtended strand (participates in β ladder)trans-111.3135.4173.2-65.4-179.9-178.1174.70109.1V173 V188K171-V173 HydrophobicContact CB-CG2 4.48Å; K171-V173 PolarHBondContact O-N 3.19Å; K171-V188 PolarHBondContact N-O 2.95Å; K171-V188 PolarHBondContact O-N 3.42Å
172K92.4Very high83.9Confident101 Ų10171.4 Ų71.444%0.43939%0.387SS..EExtended strand (participates in β ladder)trans-77.1119.2173.7-170.8177.9178-177.40109L146 E185 F186 Y187L146-K172 HydrophobicContact CD2-CD 4.41Å; K172-E185 WeakPolarHBondContact CE-OE1 3.25Å; K172-E185 WeakPolarHBondContact CE-OE2 3.49Å; K172-E185 IonicContact NZ-OE1 3.28Å; K172-E185 PolarHBondContact NZ-OE1 3.33Å; K172-E185 IonicContact NZ-OE2 3.4Å; K172-E185 PolarHBondContact NZ-OE2 3.48Å; K172-F186 WeakPolarHBondContact CA-O 3.38Å; K172-Y187 HydrophobicContact CB-CD1 4.31Å; K172-Y187 HydrophobicContact CB-CE1 3.97Å
173V91.1Very high83.2Confident54 Ų5476.4 Ų76.433%0.32741%0.411SS..EExtended strand (participates in β ladder)trans-129.6136-178.5-176.10000109.3K171 L175 F186 V188K171-V173 HydrophobicContact CB-CG2 4.48Å; K171-V173 PolarHBondContact O-N 3.19Å; V173-L175 HydrophobicContact CG1-CD2 3.87Å; V173-L175 HydrophobicContact CG1-CG 4.14Å; V173-F186 PolarHBondContact N-O 3Å; V173-F186 PolarHBondContact O-N 2.97Å; V173-V188 HydrophobicContact CB-CG2 4.3Å; V173-V188 HydrophobicContact CG2-CG2 4.29Å
174T89Confident82.8Confident70 Ų7075 Ų7543%0.42940%0.404SS..EExtended strand (participates in β ladder)trans-93.1117173.2-52.10000109Q183 E184T174-Q183 HydrophobicContact CG2-CB 3.58Å; T174-Q183 HydrophobicContact CG2-CG 4.12Å; T174-E184 CarbonylContact C-O 3.52Å; T174-E184 WeakPolarHBondContact CA-O 3.21Å
175L82.2Confident82.5Confident62 Ų6278 Ų7833%0.32542%0.418SS..EExtended strand (participates in β ladder)trans-112140.8-179.4-65175.1000110.3V173 E184 F186V173-L175 HydrophobicContact CG1-CD2 3.87Å; V173-L175 HydrophobicContact CG1-CG 4.14Å; L175-E184 PolarHBondContact N-O 2.9Å; L175-E184 PolarHBondContact O-N 3.34Å; L175-F186 HydrophobicContact CB-CD2 3.98Å; L175-F186 HydrophobicContact CB-CE2 4.18Å; L175-F186 HydrophobicContact CD1-CB 4.4Å; L175-F186 HydrophobicContact CD1-CD2 3.94Å; L175-F186 HydrophobicContact CD1-CE2 4.48Å; L175-F186 HydrophobicContact CD1-CG 4.21Å; L175-F186 HydrophobicContact CG-CD2 4.2Å
176P80.2Confident82.3Confident106 Ų10679.8 Ų79.869%0.68843%0.426SS*.EExtended strand (participates in β ladder)trans-69.7133.9170.828.8-32.1000109.8P178P176-P178 WeakPolarHBondContact O-CD 3.3Å
177V72.2Confident82.3Confident30 Ų3074.8 Ų74.818%0.18240%0.402CS..PPolyproline II helixtrans-82.2120.1176.6-175.50000108.6D179 Q180 G182 E184V177-D179 PolarHBondContact O-N 3.37Å; V177-Q180 HydrophobicContact CB-CB 4.45Å; V177-Q180 HydrophobicContact CG1-CB 4.49Å; V177-Q180 PolarHBondContact O-N 2.96Å; V177-Q180 VanDerWaalsContact O-O 3.13Å; V177-G182 PolarHBondContact N-O 3.43Å; V177-E184 HydrophobicContact CG2-CB 3.75Å; V177-E184 HydrophobicContact CG2-CG 3.35Å; V177-E184 WeakPolarHBondContact CG2-OE2 3.42Å
178P61.3Low82.3Confident108 Ų10874.4 Ų74.470%0.70140%0.397SS*.THydrogen-bonded Turntrans-62.5123167.320.7-20.5000107.4P176P176-P178 WeakPolarHBondContact O-CD 3.3Å
179D66.6Low82.2Confident167 Ų16774.2 Ų74.289%0.89340%0.395SS*.THydrogen-bonded Turntrans97.20-179.5-49.1-32.8000117.9V177V177-D179 PolarHBondContact O-N 3.37Å
180Q66Low82.2Confident137 Ų13773.6 Ų73.664%0.6439%0.39SS*.SBendtrans-139.8142.9171-63.1-176.320.100111V177 G182V177-Q180 HydrophobicContact CB-CB 4.45Å; V177-Q180 HydrophobicContact CG1-CB 4.49Å; V177-Q180 PolarHBondContact O-N 2.96Å; V177-Q180 VanDerWaalsContact O-O 3.13Å; Q180-G182 PolarHBondContact O-N 3.43Å
181E63.7Low81.8Confident216 Ų21681.1 Ų81.1100%1.00943%0.425SS*.SBendtrans-68.117.3172.9-69.1-174.8159.100113.5
182G69.1Low81.5Confident33 Ų3381 Ų8134%0.3443%0.43SS..  trans-98.9150.1-176.600000113.5V177 Q180V177-G182 PolarHBondContact N-O 3.43Å; Q180-G182 PolarHBondContact O-N 3.43Å
183Q78.1Confident81Confident158 Ų15876.9 Ų76.974%0.73842%0.415SS*.EExtended strand (participates in β ladder)trans-97.8129.3168.5-74.5-177.4-2.300109.3T174T174-Q183 HydrophobicContact CG2-CB 3.58Å; T174-Q183 HydrophobicContact CG2-CG 4.12Å
184E85Confident80.5Confident29 Ų2978.5 Ų78.514%0.13642%0.415CS..EExtended strand (participates in β ladder)trans-115.4148.8176.9-78-176.9169.400111.5K145 T174 L175 V177 F186K145-E184 VanDerWaalsContact CE-OE1 3.26Å; K145-E184 WeakPolarHBondContact CE-OE1 3.48Å; K145-E184 WeakPolarHBondContact CE-OE2 3.49Å; K145-E184 IonicContact NZ-OE1 2.59Å; K145-E184 PolarHBondContact NZ-OE1 2.6Å; K145-E184 IonicContact NZ-OE2 2.74Å; K145-E184 PolarHBondContact NZ-OE2 3.36Å; T174-E184 CarbonylContact C-O 3.52Å; T174-E184 WeakPolarHBondContact CA-O 3.21Å; L175-E184 PolarHBondContact N-O 2.9Å; L175-E184 PolarHBondContact O-N 3.34Å; V177-E184 HydrophobicContact CG2-CB 3.75Å; V177-E184 HydrophobicContact CG2-CG 3.35Å; V177-E184 WeakPolarHBondContact CG2-OE2 3.42Å; E184-F186 HydrophobicContact CB-CD2 4.34Å; E184-F186 HydrophobicContact CB-CE2 3.63Å; E184-F186 HydrophobicContact CB-CZ 4.36Å
185E89.5Confident80.2Confident64 Ų6479 Ų7930%0.29943%0.426SS..EExtended strand (participates in β ladder)trans-100.4128.9-176.7-61.6-173.2144.500109.4L146 Q147 K172L146-E185 HydrophobicContact CB-CB 4.28Å; L146-E185 WeakPolarHBondContact CD1-O 3.38Å; L146-E185 HydrophobicContact CD2-CB 4.1Å; L146-E185 PolarHBondContact N-O 3.35Å; Q147-E185 PolarHBondContact OE1-O 3.35Å; K172-E185 WeakPolarHBondContact CE-OE1 3.25Å; K172-E185 WeakPolarHBondContact CE-OE2 3.49Å; K172-E185 IonicContact NZ-OE1 3.28Å; K172-E185 PolarHBondContact NZ-OE1 3.33Å; K172-E185 IonicContact NZ-OE2 3.4Å; K172-E185 PolarHBondContact NZ-OE2 3.48Å
186F90.6Very high80.3Confident37 Ų3781.5 Ų81.516%0.16244%0.436CS..EExtended strand (participates in β ladder)trans-124139.9178.5-69.1-97.2000110.6I144 K145 K172 V173 L175 E184 V188I144-F186 CarbonylContact O-C 3.5Å; I144-F186 VanDerWaalsContact O-CA 3.31Å; I144-F186 WeakPolarHBondContact O-CA 3.46Å; K145-F186 HydrophobicContact CB-CD1 3.93Å; K145-F186 HydrophobicContact CB-CE1 3.56Å; K145-F186 HydrophobicContact CB-CZ 4.24Å; K145-F186 HydrophobicContact CD-CE1 4.2Å; K145-F186 HydrophobicContact CD-CZ 4.12Å; K145-F186 HydrophobicContact CG-CE1 3.92Å; K145-F186 HydrophobicContact CG-CZ 4.09Å; K172-F186 WeakPolarHBondContact CA-O 3.38Å; V173-F186 PolarHBondContact N-O 3Å; V173-F186 PolarHBondContact O-N 2.97Å; L175-F186 HydrophobicContact CB-CD2 3.98Å; L175-F186 HydrophobicContact CB-CE2 4.18Å; L175-F186 HydrophobicContact CD1-CB 4.4Å; L175-F186 HydrophobicContact CD1-CD2 3.94Å; L175-F186 HydrophobicContact CD1-CE2 4.48Å; L175-F186 HydrophobicContact CD1-CG 4.21Å; L175-F186 HydrophobicContact CG-CD2 4.2Å; E184-F186 HydrophobicContact CB-CD2 4.34Å; E184-F186 HydrophobicContact CB-CE2 3.63Å; E184-F186 HydrophobicContact CB-CZ 4.36Å; F186-V188 HydrophobicContact CB-CG2 4.11Å
187Y92.9Very high80.3Confident2 Ų279.4 Ų79.41%0.00842%0.423CS..EExtended strand (participates in β ladder)trans-84.2118.1158.7-86.1-56.2000108.2K143 I144 L146 F151 H162 F165 E166 F170 K172K143-Y187 CarbonylContact C-O 3.52Å; K143-Y187 WeakPolarHBondContact CA-O 3.31Å; I144-Y187 PolarHBondContact N-O 2.9Å; I144-Y187 PolarHBondContact O-N 3.32Å; L146-Y187 HydrophobicContact CD1-CD2 3.36Å; L146-Y187 HydrophobicContact CD1-CE2 3.88Å; L146-Y187 HydrophobicContact CD1-CG 3.85Å; L146-Y187 VanDerWaalsContact CD1-N 3.29Å; L146-Y187 HydrophobicContact CD2-CD2 4.4Å; L146-Y187 HydrophobicContact CD2-CE2 4.06Å; L146-Y187 HydrophobicContact CG-CD2 3.99Å; L146-Y187 HydrophobicContact CG-CE2 4.05Å; F151-Y187 HydrophobicContact CE2-CD2 4.3Å; F151-Y187 AromaticContact CZ-CD2 3.98Å; F151-Y187 HydrophobicContact CZ-CD2 3.98Å; F151-Y187 AromaticContact CZ-CE2 3.87Å; F151-Y187 HydrophobicContact CZ-CE2 3.87Å; H162-Y187 WeakPolarHBondContact CB-OH 3.49Å; H162-Y187 AromaticContact ND1-CE2 3.76Å; H162-Y187 AromaticContact ND1-CZ 3.75Å; H162-Y187 PolarHBondContact ND1-OH 3.44Å; F165-Y187 HydrophobicContact CB-CD1 4.33Å; F165-Y187 HydrophobicContact CB-CD2 4.44Å; F165-Y187 HydrophobicContact CB-CE1 4.16Å; F165-Y187 HydrophobicContact CB-CE2 4.3Å; F165-Y187 HydrophobicContact CB-CG 4.48Å; F165-Y187 HydrophobicContact CD2-CE2 4.37Å; F165-Y187 HydrophobicContact CG-CD2 4.36Å; F165-Y187 HydrophobicContact CG-CE2 4.43Å; E166-Y187 HydrophobicContact CG-CE1 4.3Å; F170-Y187 HydrophobicContact CB-CD1 3.84Å; F170-Y187 HydrophobicContact CB-CG 4.27Å; K172-Y187 HydrophobicContact CB-CD1 4.31Å; K172-Y187 HydrophobicContact CB-CE1 3.97Å
188V92.2Very high80.9Confident27 Ų2785.7 Ų85.716%0.16445%0.45CS..EExtended strand (participates in β ladder)trans-113.9126.6178.5-174.60000108.9Q142 K143 F170 K171 V173 F186 G190Q142-V188 WeakPolarHBondContact O-CA 3.45Å; K143-V188 HydrophobicContact CG-CG1 4.28Å; K143-V188 HydrophobicContact CG-CG2 4.21Å; F170-V188 CarbonylContact C-O 3.59Å; F170-V188 WeakPolarHBondContact CA-O 3.47Å; K171-V188 PolarHBondContact N-O 2.95Å; K171-V188 PolarHBondContact O-N 3.42Å; V173-V188 HydrophobicContact CB-CG2 4.3Å; V173-V188 HydrophobicContact CG2-CG2 4.29Å; F186-V188 HydrophobicContact CB-CG2 4.11Å; V188-G190 PolarHBondContact O-N 3.06Å
189L90.2Very high82.2Confident3 Ų383.4 Ų83.42%0.01643%0.432CS..EExtended strand (participates in β ladder)trans-66120.7177.2-172.768.5000110.1I132 Q142 F170 A193 R194 L200I132-L189 HydrophobicContact CG2-CD2 3.95Å; Q142-L189 HydrophobicContact CB-CB 4.3Å; Q142-L189 PolarHBondContact O-N 3.09Å; F170-L189 HydrophobicContact CD1-CB 4.22Å; F170-L189 HydrophobicContact CD2-CD1 3.93Å; F170-L189 HydrophobicContact CE1-CB 4.03Å; F170-L189 HydrophobicContact CE1-CD1 4.42Å; F170-L189 HydrophobicContact CE2-CD1 3.75Å; F170-L189 HydrophobicContact CG-CD1 4.35Å; F170-L189 HydrophobicContact CZ-CB 4.35Å; F170-L189 HydrophobicContact CZ-CD1 4.03Å; L189-A193 HydrophobicContact CD1-CB 3.57Å; L189-A193 HydrophobicContact CG-CB 4.1Å; L189-R194 HydrophobicContact CD2-CG 3.76Å; L189-R194 HydrophobicContact CG-CG 4.03Å; L189-R194 PolarHBondContact O-NE 3.24Å; L189-R194 PolarHBondContact O-NH2 3.01Å; L189-R194 VanDerWaalsContact O-NH2 3.11Å; L189-L200 HydrophobicContact CD1-CD1 4.42Å; L189-L200 HydrophobicContact CD1-CD2 4.34Å; L189-L200 HydrophobicContact CD2-CD1 4.02Å
190G88.7Confident83.2Confident11 Ų1176 Ų7611%0.11339%0.392CS..  trans-67.1157.7179.500000113.1G169 V188 D192 A193 R194G169-G190 PolarHBondContact O-N 3.04Å; V188-G190 PolarHBondContact O-N 3.06Å; G190-D192 VanDerWaalsContact C-N 3.28Å; G190-D192 PolarHBondContact O-N 2.83Å; G190-A193 PolarHBondContact O-N 3.42Å; G190-R194 WeakPolarHBondContact O-CG 3.35Å; G190-R194 PolarHBondContact O-N 3Å
191E85.1Confident84.3Confident161 Ų16171.6 Ų71.675%0.75238%0.379SS*.Hα-helixtrans-59.2-37.2-177.7-63.7-179.6170.700112.7A193 R194 A195E191-A193 PolarHBondContact O-N 2.89Å; E191-R194 WeakPolarHBondContact O-CB 3.49Å; E191-R194 PolarHBondContact O-N 2.82Å; E191-A195 PolarHBondContact O-N 3.39Å
192D84.5Confident85.7Confident126 Ų12668.9 Ų68.967%0.67436%0.36SS*.Hα-helixtrans-60.8-43.5178.9-55.1-50.4000112.4G190 A195G190-D192 VanDerWaalsContact C-N 3.28Å; G190-D192 PolarHBondContact O-N 2.83Å; D192-A195 PolarHBondContact O-N 3.27Å
193A82.1Confident86.8Confident14 Ų1468.8 Ų68.812%0.11635%0.35CS..Hα-helixtrans-73.2-30.1178.700000112L189 G190 E191 A195 Q196L189-A193 HydrophobicContact CD1-CB 3.57Å; L189-A193 HydrophobicContact CG-CB 4.1Å; G190-A193 PolarHBondContact O-N 3.42Å; E191-A193 PolarHBondContact O-N 2.89Å; A193-A195 VanDerWaalsContact C-N 3.33Å; A193-Q196 CarbonylContact O-C 3.55Å; A193-Q196 PolarHBondContact O-N 3.18Å
194R80.8Confident87.5Confident87 Ų8763.3 Ų63.333%0.32832%0.324SS..Hα-helixtrans-66.1-36.2172.7-66.7175.7-166.9-158.8-3.8112L189 G190 E191 Q196L189-R194 HydrophobicContact CD2-CG 3.76Å; L189-R194 HydrophobicContact CG-CG 4.03Å; L189-R194 PolarHBondContact O-NE 3.24Å; L189-R194 PolarHBondContact O-NH2 3.01Å; L189-R194 VanDerWaalsContact O-NH2 3.11Å; G190-R194 WeakPolarHBondContact O-CG 3.35Å; G190-R194 PolarHBondContact O-N 3Å; E191-R194 WeakPolarHBondContact O-CB 3.49Å; E191-R194 PolarHBondContact O-N 2.82Å; R194-Q196 PolarHBondContact O-N 3.48Å
195A82.4Confident87.9Confident80 Ų8066.5 Ų66.566%0.66134%0.339SS*.Hα-helixtrans-67.2-19.9177.500000113E191 D192 A193 P197E191-A195 PolarHBondContact O-N 3.39Å; D192-A195 PolarHBondContact O-N 3.27Å; A193-A195 VanDerWaalsContact C-N 3.33Å; A195-P197 WeakPolarHBondContact O-CD 3.47Å
196Q84.5Confident88.1Confident115 Ų11566.2 Ų66.254%0.53734%0.337SS..  trans-126.966.5-175.4-62.2-176.9-10.900112.5A193 R194 Q198 N199A193-Q196 CarbonylContact O-C 3.55Å; A193-Q196 PolarHBondContact O-N 3.18Å; R194-Q196 PolarHBondContact O-N 3.48Å; Q196-Q198 PolarHBondContact O-N 2.64Å; Q196-Q198 VanDerWaalsContact O-N 3.13Å; Q196-N199 PolarHBondContact O-N 2.83Å; Q196-N199 VanDerWaalsContact O-N 3.1Å; Q196-N199 PolarHBondContact OE1-ND2 3.4Å
197P80.7Confident88.2Confident62 Ų6264.5 Ų64.540%0.40333%0.33SS..Hα-helixtrans-63-24.4-176.426.1-35.3000113.7A195 N199 L200 A201A195-P197 WeakPolarHBondContact O-CD 3.47Å; P197-N199 VanDerWaalsContact C-N 3.26Å; P197-N199 PolarHBondContact O-N 3.05Å; P197-L200 PolarHBondContact O-N 2.91Å; P197-A201 PolarHBondContact O-N 3.03Å
198Q85.3Confident88.2Confident163 Ų16367.6 Ų67.676%0.76235%0.346SS*.Hα-helixtrans-63.3-32.7177.2-61.3-179.215.800112.2Q196 A201 R202Q196-Q198 PolarHBondContact O-N 2.64Å; Q196-Q198 VanDerWaalsContact O-N 3.13Å; Q198-A201 PolarHBondContact O-N 2.91Å; Q198-R202 PolarHBondContact O-N 3.43Å
199N89.4Confident88.2Confident60 Ų6071.4 Ų71.432%0.32137%0.366SS..Hα-helixtrans-67.9-38.9178.1-70.3-14.2000111.2Q196 P197 A201 R202 H203Q196-N199 PolarHBondContact O-N 2.83Å; Q196-N199 VanDerWaalsContact O-N 3.1Å; Q196-N199 PolarHBondContact OE1-ND2 3.4Å; P197-N199 VanDerWaalsContact C-N 3.26Å; P197-N199 PolarHBondContact O-N 3.05Å; N199-A201 VanDerWaalsContact C-N 3.32Å; N199-A201 PolarHBondContact O-N 3.04Å; N199-R202 WeakPolarHBondContact O-CB 3.44Å; N199-R202 PolarHBondContact O-N 2.79Å; N199-R202 VanDerWaalsContact O-N 3.17Å; N199-H203 WeakPolarHBondContact O-CB 3.34Å; N199-H203 PolarHBondContact O-CD2 2.96Å; N199-H203 PolarHBondContact O-N 3.05Å
200L87.3Confident88.3Confident12 Ų1272.6 Ų72.66%0.06338%0.376CS..Hα-helixtrans-62.4-40.8177.1-64.5170.3000111.7L129 I132 I168 L189 P197 H203 K204L129-L200 HydrophobicContact CD2-CD2 4.31Å; I132-L200 HydrophobicContact CG2-CD1 4.26Å; I168-L200 HydrophobicContact CB-CD2 4.29Å; L189-L200 HydrophobicContact CD1-CD1 4.42Å; L189-L200 HydrophobicContact CD1-CD2 4.34Å; L189-L200 HydrophobicContact CD2-CD1 4.02Å; P197-L200 PolarHBondContact O-N 2.91Å; L200-H203 PolarHBondContact O-N 3.19Å; L200-K204 WeakPolarHBondContact O-CB 3.43Å; L200-K204 PolarHBondContact O-N 3.23Å
201A89.2Confident88.3Confident43 Ų4379.8 Ų79.836%0.35541%0.407SS..Hα-helixtrans-63.5-42174.300000111.8P197 Q198 N199 K204 Q205P197-A201 PolarHBondContact O-N 3.03Å; Q198-A201 PolarHBondContact O-N 2.91Å; N199-A201 VanDerWaalsContact C-N 3.32Å; N199-A201 PolarHBondContact O-N 3.04Å; A201-K204 WeakPolarHBondContact O-CB 3.46Å; A201-K204 PolarHBondContact O-N 3.01Å; A201-Q205 PolarHBondContact O-N 3.31Å
202R92.3Very high88.6Confident160 Ų16073.6 Ų73.660%0.60438%0.38SS*.Hα-helixtrans-62.2-46.5174.7-178.3-179174.2-174.9-1.5112Q198 N199 K204 Q205 Q206Q198-R202 PolarHBondContact O-N 3.43Å; N199-R202 WeakPolarHBondContact O-CB 3.44Å; N199-R202 PolarHBondContact O-N 2.79Å; N199-R202 VanDerWaalsContact O-N 3.17Å; R202-K204 VanDerWaalsContact C-N 3.35Å; R202-K204 PolarHBondContact O-N 2.95Å; R202-Q205 PolarHBondContact O-N 3.4Å; R202-Q206 WeakPolarHBondContact O-CG 3.33Å; R202-Q206 PolarHBondContact O-N 3.26Å
203H92.2Very high88.8Confident31 Ų3168.5 Ų68.514%0.14435%0.354CS..Hα-helixtrans-66.4-36.4180-63.3-38.4000112.4V101 I168 N199 L200 Q206 L207V101-H203 HydrophobicContact CG1-CB 4.31Å; I168-H203 HydrophobicContact CG2-CB 3.91Å; N199-H203 WeakPolarHBondContact O-CB 3.34Å; N199-H203 PolarHBondContact O-CD2 2.96Å; N199-H203 PolarHBondContact O-N 3.05Å; L200-H203 PolarHBondContact O-N 3.19Å; H203-Q206 PolarHBondContact ND1-OE1 3.43Å; H203-Q206 PolarHBondContact O-N 3.24Å; H203-L207 WeakPolarHBondContact O-CB 3.27Å; H203-L207 PolarHBondContact O-N 3.4Å
204K92.4Very high89.1Confident43 Ų4375.9 Ų75.919%0.18738%0.378CS..Hα-helixtrans-56.6-50.4169.1179.2-163.8171-167.80110.7A126 L129 D130 L200 A201 R202 Q206 L207 L208A126-K204 HydrophobicContact CB-CG 4.19Å; L129-K204 HydrophobicContact CB-CB 4.48Å; L129-K204 HydrophobicContact CD1-CB 3.84Å; L129-K204 HydrophobicContact CD1-CG 4.44Å; D130-K204 WeakPolarHBondContact OD1-CE 3.43Å; D130-K204 IonicContact OD1-NZ 2.91Å; D130-K204 PolarHBondContact OD1-NZ 2.59Å; D130-K204 WeakPolarHBondContact OD2-CE 3.47Å; D130-K204 IonicContact OD2-NZ 3.57Å; D130-K204 PolarHBondContact OD2-NZ 3.44Å; L200-K204 WeakPolarHBondContact O-CB 3.43Å; L200-K204 PolarHBondContact O-N 3.23Å; A201-K204 WeakPolarHBondContact O-CB 3.46Å; A201-K204 PolarHBondContact O-N 3.01Å; R202-K204 VanDerWaalsContact C-N 3.35Å; R202-K204 PolarHBondContact O-N 2.95Å; K204-Q206 PolarHBondContact O-N 2.95Å; K204-L207 PolarHBondContact O-N 2.9Å; K204-L208 HydrophobicContact CG-CD1 4.13Å; K204-L208 WeakPolarHBondContact O-CG 3.48Å; K204-L208 PolarHBondContact O-N 3.39Å; K204-L208 VanDerWaalsContact O-N 3.11Å
205Q93.3Very high89.5Confident95 Ų9572.4 Ų72.444%0.44437%0.368SS..Hα-helixtrans-63.4-43.1-178.5-167.660.531.600111.6A201 R202 L207 L208 D209A201-Q205 PolarHBondContact O-N 3.31Å; R202-Q205 PolarHBondContact O-N 3.4Å; Q205-L207 VanDerWaalsContact C-N 3.29Å; Q205-L207 PolarHBondContact O-N 2.78Å; Q205-L208 PolarHBondContact O-N 2.88Å; Q205-D209 WeakPolarHBondContact CG-OD2 3.15Å; Q205-D209 PolarHBondContact NE2-OD1 2.69Å; Q205-D209 PolarHBondContact NE2-OD2 3.15Å; Q205-D209 WeakPolarHBondContact O-CB 3.37Å; Q205-D209 PolarHBondContact O-N 3.38Å
206Q93.4Very high90Very high58 Ų5872.2 Ų72.227%0.27136%0.359SS..Hα-helixtrans-58.7-39174.4-71.7176.3-48.300112.5I105 R202 H203 K204 A210I105-Q206 HydrophobicContact CD1-CB 3.7Å; R202-Q206 WeakPolarHBondContact O-CG 3.33Å; R202-Q206 PolarHBondContact O-N 3.26Å; H203-Q206 PolarHBondContact ND1-OE1 3.43Å; H203-Q206 PolarHBondContact O-N 3.24Å; K204-Q206 PolarHBondContact O-N 2.95Å; Q206-A210 WeakPolarHBondContact O-CB 3.46Å; Q206-A210 PolarHBondContact O-N 3.44Å
207L93Very high90.4Very high1 Ų167.3 Ų67.31%0.00534%0.337CS..Hα-helixtrans-67.9-37.7178.8-177.269.6000112.3I105 I108 H109 V122 I125 F164 H203 K204 Q205I105-L207 HydrophobicContact CB-CD1 4.47Å; I105-L207 HydrophobicContact CD1-CB 4.47Å; I105-L207 HydrophobicContact CG1-CB 4.45Å; I105-L207 HydrophobicContact CG1-CD1 3.94Å; I105-L207 HydrophobicContact CG2-CD1 4.26Å; I108-L207 HydrophobicContact CD1-CD1 4.11Å; H109-L207 PolarHBondContact NE2-O 3.37Å; V122-L207 HydrophobicContact CB-CD2 4.5Å; V122-L207 HydrophobicContact CB-CG 4.48Å; V122-L207 HydrophobicContact CG1-CD2 4.09Å; V122-L207 HydrophobicContact CG1-CG 3.89Å; V122-L207 HydrophobicContact CG2-CD1 4.09Å; V122-L207 HydrophobicContact CG2-CD2 4.33Å; V122-L207 HydrophobicContact CG2-CG 4.05Å; I125-L207 HydrophobicContact CB-CD2 4.03Å; I125-L207 HydrophobicContact CD1-CD2 4.29Å; I125-L207 HydrophobicContact CG2-CD2 3.7Å; F164-L207 HydrophobicContact CE1-CD2 4.03Å; F164-L207 HydrophobicContact CE2-CB 4.49Å; F164-L207 HydrophobicContact CE2-CD1 4.38Å; F164-L207 HydrophobicContact CZ-CB 4.26Å; F164-L207 HydrophobicContact CZ-CD1 4.49Å; F164-L207 HydrophobicContact CZ-CD2 3.98Å; F164-L207 HydrophobicContact CZ-CG 4.47Å; H203-L207 WeakPolarHBondContact O-CB 3.27Å; H203-L207 PolarHBondContact O-N 3.4Å; K204-L207 PolarHBondContact O-N 2.9Å; Q205-L207 VanDerWaalsContact C-N 3.29Å; Q205-L207 PolarHBondContact O-N 2.78Å
208L93.1Very high90.9Very high67 Ų6765.7 Ų65.735%0.35133%0.325SS..Hα-helixtrans-73.8-42.4-179.6-71.9170.6000112.7V122 A126 K204 Q205 A210V122-L208 HydrophobicContact CG1-CD2 3.74Å; A126-L208 HydrophobicContact CB-CD2 4.29Å; K204-L208 HydrophobicContact CG-CD1 4.13Å; K204-L208 WeakPolarHBondContact O-CG 3.48Å; K204-L208 PolarHBondContact O-N 3.39Å; K204-L208 VanDerWaalsContact O-N 3.11Å; Q205-L208 PolarHBondContact O-N 2.88Å; L208-A210 VanDerWaalsContact C-N 3.3Å
209D92.9Very high91.2Very high108 Ų10861 Ų6158%0.57830%0.3SS*.Hα-helixtrans-82-10.7-177.2-65.2-19.2000112.9Q205Q205-D209 WeakPolarHBondContact CG-OD2 3.15Å; Q205-D209 PolarHBondContact NE2-OD1 2.69Å; Q205-D209 PolarHBondContact NE2-OD2 3.15Å; Q205-D209 WeakPolarHBondContact O-CB 3.37Å; Q205-D209 PolarHBondContact O-N 3.38Å
210A91.4Very high91.2Very high27 Ų2759.5 Ų59.522%0.22329%0.291CS..  trans-69.5140.3-176.400000113.2I105 H109 Q206 L208I105-A210 HydrophobicContact CG2-CB 3.24Å; H109-A210 PolarHBondContact CE1-O 3.46Å; H109-A210 VanDerWaalsContact CE1-O 3.3Å; H109-A210 PolarHBondContact NE2-O 3.43Å; Q206-A210 WeakPolarHBondContact O-CB 3.46Å; Q206-A210 PolarHBondContact O-N 3.44Å; L208-A210 VanDerWaalsContact C-N 3.3Å
211E90.1Very high91.3Very high163 Ų16361.8 Ų61.876%0.76230%0.303SS*.  trans-109.9154.8173.4-68.6-168.8165.500111.1V213E211-V213 PolarHBondContact O-N 2.93Å
212P90.3Very high91.3Very high31 Ų3163.1 Ų63.120%0.20130%0.299CS..  trans-60.9135.317324-34.1000112.5H109 R115 R214H109-P212 WeakPolarHBondContact O-CB 3.48Å; R115-P212 VanDerWaalsContact NH2-CB 3.34Å; P212-R214 PolarHBondContact O-N 2.9Å
213V89.7Confident91.2Very high19 Ų1955.7 Ų55.712%0.11527%0.271CS..  trans-69.9115.4173.3-175.40000108.8P73 L74 I88 I92 M106 T110 E211P73-V213 HydrophobicContact CG-CG1 3.6Å; L74-V213 HydrophobicContact CD1-CG1 4.03Å; L74-V213 HydrophobicContact CG-CG1 3.99Å; I88-V213 HydrophobicContact CG2-CB 4.3Å; I88-V213 HydrophobicContact CG2-CG1 4.1Å; I92-V213 HydrophobicContact CD1-CB 4.37Å; I92-V213 HydrophobicContact CD1-CG2 4.32Å; M106-V213 HydrophobicContact CB-CG2 4.05Å; M106-V213 HydrophobicContact CG-CG2 3.78Å; M106-V213 HydrophobicContact SD-CG2 3.76Å; T110-V213 HydrophobicContact CG2-CB 4.27Å; T110-V213 WeakPolarHBondContact CG2-O 3.32Å; T110-V213 PolarHBondContact OG1-N 2.74Å; E211-V213 PolarHBondContact O-N 2.93Å
214R88Confident91.1Very high168 Ų16855 Ų5563%0.63427%0.268SS*.  trans-122.8135.6178.2-65.4-179.3-178.8179.73.4109.8P212 T216P212-R214 PolarHBondContact O-N 2.9Å; R214-T216 PolarHBondContact O-N 3.3Å
215A89.4Confident90.7Very high14 Ų1459.7 Ų59.712%0.11629%0.285CS..PPolyproline II helixtrans-64.5132.9171.200000109.9F70 I71 R84 I88F70-A215 HydrophobicContact CB-CB 3.86Å; I71-A215 CarbonylContact O-C 3.48Å; I71-A215 VanDerWaalsContact O-CA 3.3Å; I71-A215 WeakPolarHBondContact O-CA 3.36Å; R84-A215 HydrophobicContact CB-CB 4.39Å; R84-A215 HydrophobicContact CG-CB 4.48Å; I88-A215 HydrophobicContact CD1-CB 4.03Å
216T91.9Very high90.1Very high77 Ų7758.3 Ų58.347%0.47228%0.284SS..EExtended strand (participates in β ladder)trans-83.6152176.253.60000109.3F70 I71 R214 D218F70-T216 CarbonylContact C-O 3.55Å; F70-T216 WeakPolarHBondContact CA-O 3.45Å; F70-T216 VanDerWaalsContact CB-O 3.3Å; F70-T216 WeakPolarHBondContact CB-O 3.43Å; I71-T216 PolarHBondContact N-O 3.18Å; I71-T216 PolarHBondContact O-N 3.47Å; I71-T216 PolarHBondContact O-OG1 3.26Å; R214-T216 PolarHBondContact O-N 3.3Å; T216-D218 PolarHBondContact O-N 3.2Å
217L92.4Very high89.2Confident12 Ų1257.4 Ų57.46%0.06328%0.284CS..EExtended strand (participates in β ladder)trans-69.9127.5175.5-179.970.4000108.9V68 F69 F70 R219 Y283 Y301V68-L217 HydrophobicContact CG1-CD1 3.52Å; F69-L217 WeakPolarHBondContact O-CD1 3.17Å; F70-L217 HydrophobicContact CD1-CB 4.44Å; F70-L217 HydrophobicContact CD1-CD1 4.16Å; F70-L217 HydrophobicContact CE1-CB 4.44Å; F70-L217 HydrophobicContact CE1-CD1 3.69Å; F70-L217 HydrophobicContact CZ-CD1 4Å; L217-R219 PolarHBondContact O-N 3.24Å; L217-Y283 HydrophobicContact CD1-CD1 4.2Å; L217-Y283 HydrophobicContact CD1-CE1 4.01Å; L217-Y283 HydrophobicContact CD2-CD1 4.4Å; L217-Y301 HydrophobicContact CB-CD2 4.14Å; L217-Y301 HydrophobicContact CB-CE2 3.42Å; L217-Y301 VanDerWaalsContact CB-CE2 3.42Å; L217-Y301 HydrophobicContact CD2-CD1 4.44Å; L217-Y301 HydrophobicContact CD2-CD2 3.79Å; L217-Y301 HydrophobicContact CD2-CE2 3.89Å; L217-Y301 HydrophobicContact CD2-CG 4.1Å; L217-Y301 HydrophobicContact CG-CE2 4.21Å
218D92.1Very high88.2Confident28 Ų2861.7 Ų61.715%0.1532%0.319CS..PPolyproline II helixtrans-73.4122.8169.3-169.6-9.1000108.3F69 I71 T78 T216 Q220F69-D218 HydrophobicContact CB-CB 4.01Å; F69-D218 WeakPolarHBondContact O-CB 3.38Å; F69-D218 PolarHBondContact O-N 3.05Å; I71-D218 HydrophobicContact CD1-CB 4.15Å; I71-D218 HydrophobicContact CG1-CB 3.84Å; T78-D218 HydrophobicContact CG2-CB 4.48Å; T78-D218 VanDerWaalsContact CG2-OD2 3.28Å; T78-D218 WeakPolarHBondContact CG2-OD2 3.45Å; T216-D218 PolarHBondContact O-N 3.2Å; D218-Q220 HydrophobicContact CB-CG 4.12Å; D218-Q220 PolarHBondContact O-N 3.08Å; D218-Q220 PolarHBondContact OD1-N 3.45Å
219R92.4Very high87.1Confident63 Ų6364.6 Ų64.624%0.23834%0.335CS..  trans-67.4-27.1176.7-57.9-58.4175.7-172.8-6.7111.8L217 L221 G298 T299 E304 F312L217-R219 PolarHBondContact O-N 3.24Å; R219-L221 VanDerWaalsContact C-N 3.32Å; R219-L221 PolarHBondContact O-N 3.47Å; R219-G298 WeakPolarHBondContact O-CA 3.36Å; R219-T299 WeakPolarHBondContact CD-O 3.44Å; R219-T299 PolarHBondContact NH1-O 3.4Å; R219-T299 PolarHBondContact O-N 3.16Å; R219-E304 IonicContact CZ-OE1 3.27Å; R219-E304 VanDerWaalsContact CZ-OE1 3.28Å; R219-E304 IonicContact CZ-OE2 3.2Å; R219-E304 IonicContact NH1-OE1 2.68Å; R219-E304 PolarHBondContact NH1-OE1 3Å; R219-E304 IonicContact NH1-OE2 2.62Å; R219-E304 PolarHBondContact NH1-OE2 3.17Å; R219-E304 IonicContact NH2-OE1 3.18Å; R219-E304 PolarHBondContact NH2-OE1 3.01Å; R219-E304 IonicContact NH2-OE2 3.58Å; R219-E304 PolarHBondContact NH2-OE2 3.19Å; R219-F312 HydrophobicContact CB-CD2 4.07Å; R219-F312 HydrophobicContact CB-CE2 3.64Å; R219-F312 HydrophobicContact CG-CD2 3.93Å; R219-F312 HydrophobicContact CG-CE2 4.05Å
220Q88.3Confident85.9Confident29 Ų2962 Ų6214%0.13633%0.328CS..  trans4759.1-171.1-56.4-166.3-68.500110.8V65 G67 F69 D218 R222V65-Q220 VanDerWaalsContact CG1-OE1 3.32Å; G67-Q220 PolarHBondContact O-OE1 3.27Å; F69-Q220 HydrophobicContact CD2-CG 4.41Å; D218-Q220 HydrophobicContact CB-CG 4.12Å; D218-Q220 PolarHBondContact O-N 3.08Å; D218-Q220 PolarHBondContact OD1-N 3.45Å; Q220-R222 PolarHBondContact O-N 3.45Å; Q220-R222 VanDerWaalsContact O-N 3.12Å
221L90.3Very high84.8Confident60 Ų6065.2 Ų65.231%0.31435%0.349SS..  trans-56.5120178.4-171.5160.5000108.6R219 V223 L296 Q297 F312 A316 L381R219-L221 VanDerWaalsContact C-N 3.32Å; R219-L221 PolarHBondContact O-N 3.47Å; L221-V223 HydrophobicContact CD2-CG2 4.01Å; L221-L296 HydrophobicContact CD1-CD1 4.09Å; L221-L296 HydrophobicContact CD2-CD1 3.61Å; L221-L296 HydrophobicContact CG-CD1 3.7Å; L221-Q297 WeakPolarHBondContact CA-O 3.5Å; L221-F312 HydrophobicContact CB-CE2 3.85Å; L221-F312 HydrophobicContact CB-CZ 4Å; L221-F312 HydrophobicContact CD1-CE2 3.74Å; L221-F312 HydrophobicContact CD1-CZ 3.89Å; L221-F312 HydrophobicContact CG-CE2 3.89Å; L221-F312 HydrophobicContact CG-CZ 3.72Å; L221-A316 HydrophobicContact CD1-CB 4.1Å; L221-L381 HydrophobicContact CD1-CD1 4.29Å; L221-L381 HydrophobicContact CD2-CD1 4.03Å; L221-L381 HydrophobicContact CD2-CD2 3.58Å; L221-L381 HydrophobicContact CD2-CG 4.39Å
222R89.2Confident84Confident71 Ų7163.5 Ų63.527%0.26834%0.34SS..EExtended strand (participates in β ladder)trans-129145.9174.1-67.2-174.6-175.4-152.11.5110Q220 F224 Q297 E386Q220-R222 PolarHBondContact O-N 3.45Å; Q220-R222 VanDerWaalsContact O-N 3.12Å; R222-F224 HydrophobicContact CB-CD2 4.46Å; R222-F224 HydrophobicContact CB-CE2 3.67Å; R222-F224 HydrophobicContact CB-CZ 3.81Å; R222-F224 HydrophobicContact CG-CZ 4.48Å; R222-Q297 HydrophobicContact CB-CB 4.44Å; R222-Q297 PolarHBondContact N-O 3.28Å; R222-Q297 PolarHBondContact O-N 2.98Å; R222-E386 IonicContact NH1-OE1 2.6Å; R222-E386 IonicContact NH1-OE2 3.37Å; R222-E386 PolarHBondContact NH1-OE2 3.08Å
223V90.7Very high83.1Confident5 Ų569.4 Ų69.43%0.0336%0.363CS..EExtended strand (participates in β ladder)trans-117.8127.1175.5-1730000108.4L221 C294 L295 L296 L377 L381 I385 E386L221-V223 HydrophobicContact CD2-CG2 4.01Å; V223-C294 HydrophobicContact CG1-CB 4.19Å; V223-L295 CarbonylContact C-O 3.52Å; V223-L295 WeakPolarHBondContact CA-O 3.28Å; V223-L296 HydrophobicContact CG2-CD1 3.87Å; V223-L377 HydrophobicContact CB-CD1 4.42Å; V223-L377 HydrophobicContact CG1-CD1 3.55Å; V223-L377 HydrophobicContact CG2-CD1 3.94Å; V223-L381 HydrophobicContact CG2-CB 4.09Å; V223-I385 HydrophobicContact CB-CG1 4.1Å; V223-I385 HydrophobicContact CG1-CD1 4.35Å; V223-I385 HydrophobicContact CG1-CG1 3.79Å; V223-I385 WeakPolarHBondContact O-CA 3.36Å; V223-E386 PolarHBondContact O-N 3.48Å
224F88.3Confident82.6Confident16 Ų1676.3 Ų76.37%0.0739%0.394CS..EExtended strand (participates in β ladder)trans-114.6142178.3-58-82.1000111.1R222 L295 Q297 E386 L388R222-F224 HydrophobicContact CB-CD2 4.46Å; R222-F224 HydrophobicContact CB-CE2 3.67Å; R222-F224 HydrophobicContact CB-CZ 3.81Å; R222-F224 HydrophobicContact CG-CZ 4.48Å; F224-L295 HydrophobicContact CB-CB 4.21Å; F224-L295 PolarHBondContact N-O 2.87Å; F224-L295 PolarHBondContact O-N 3.06Å; F224-Q297 HydrophobicContact CD2-CB 4.17Å; F224-Q297 HydrophobicContact CE2-CB 3.73Å; F224-Q297 HydrophobicContact CE2-CG 4.33Å; F224-E386 VanDerWaalsContact CA-O 3.28Å; F224-E386 WeakPolarHBondContact CA-O 3.05Å; F224-E386 HydrophobicContact CD1-CB 3.73Å; F224-E386 HydrophobicContact CE1-CB 3.81Å; F224-E386 VanDerWaalsContact CE1-OE2 3.25Å; F224-E386 WeakPolarHBondContact CE1-OE2 3.36Å; F224-L388 HydrophobicContact CB-CB 4.34Å; F224-L388 HydrophobicContact CB-CD1 3.76Å; F224-L388 HydrophobicContact CD1-CD1 3.85Å; F224-L388 HydrophobicContact CD2-CD1 4.21Å; F224-L388 HydrophobicContact CG-CD1 3.68Å
225R85.6Confident82.4Confident142 Ų14271.7 Ų71.754%0.53638%0.382SS..EExtended strand (participates in β ladder)trans-92.6129.9165.1-164.7172.8-173.590.40.9109.3S227 I385 E386 L388R225-S227 PolarHBondContact O-N 3.03Å; R225-I385 HydrophobicContact CB-CG2 3.83Å; R225-E386 PolarHBondContact N-O 2.97Å; R225-L388 PolarHBondContact O-N 3.22Å
226P79Confident82.3Confident65 Ų6575.4 Ų75.442%0.42241%0.405SS..PPolyproline II helixtrans-60.6129.5174.3-18.729000110.6G293P226-G293 WeakPolarHBondContact CD-O 3.48Å; P226-G293 WeakPolarHBondContact CG-O 3.28Å
227S76.1Confident82.1Confident40 Ų4076.2 Ų76.228%0.2841%0.414SS..PPolyproline II helixtrans-92.6136.6167179.90000109.4R225 L229 A230 L388R225-S227 PolarHBondContact O-N 3.03Å; S227-L229 PolarHBondContact O-N 3.22Å; S227-L229 PolarHBondContact OG-N 3.11Å; S227-A230 WeakPolarHBondContact O-CB 3.38Å; S227-A230 PolarHBondContact O-N 2.88Å; S227-L388 WeakPolarHBondContact CB-O 3.45Å
228A70.6Confident81.9Confident90 Ų9081.4 Ų81.474%0.74444%0.441SS*.G310 helixtrans-63.7-21.7174.100000112.4A230 S231A228-A230 VanDerWaalsContact C-N 3.31Å; A228-S231 PolarHBondContact O-OG 2.94Å; A228-S231 VanDerWaalsContact O-OG 3.08Å
229L70.1Confident81.7Confident129 Ų12986.5 Ų86.568%0.67546%0.463SS*.G310 helixtrans-72.6-25177.8-67.4163.3000112.4S227 S231 H232S227-L229 PolarHBondContact O-N 3.22Å; S227-L229 PolarHBondContact OG-N 3.11Å; L229-S231 PolarHBondContact O-N 3.23Å; L229-S231 VanDerWaalsContact O-N 3.17Å; L229-H232 PolarHBondContact O-N 2.85Å
230A68.5Low81.5Confident54 Ų5490.6 Ų90.645%0.44648%0.482SS..G310 helixtrans-65.2-22.1-176.500000113.4S227 A228 L388S227-A230 WeakPolarHBondContact O-CB 3.38Å; S227-A230 PolarHBondContact O-N 2.88Å; A228-A230 VanDerWaalsContact C-N 3.31Å; A230-L388 HydrophobicContact CB-CD2 4.35Å
231S69.1Low81.6Confident93 Ų9392.3 Ų92.365%0.6550%0.498SS*.G310 helixtrans-88.2-8.4174.548.60000114.1A228 L229A228-S231 PolarHBondContact O-OG 2.94Å; A228-S231 VanDerWaalsContact O-OG 3.08Å; L229-S231 PolarHBondContact O-N 3.23Å; L229-S231 VanDerWaalsContact O-N 3.17Å
232H71.3Confident81.5Confident127 Ų12795.3 Ų95.359%0.58851%0.513SS*.  trans-92.8105.3-175.9-170.8-77.4000110.4L229 E234L229-H232 PolarHBondContact O-N 2.85Å; H232-E234 IonicContact CE1-OE1 3.66Å; H232-E234 IonicContact NE2-OE1 3.92Å
233F73Confident81.6Confident155 Ų15595.1 Ų95.168%0.6852%0.52SS*.  trans-133.3122.7170.160.4-84.8000109.2L235F233-L235 HydrophobicContact CD2-CD1 3.88Å; F233-L235 HydrophobicContact CD2-CG 3.98Å; F233-L235 HydrophobicContact CE2-CD1 3.96Å
234E79Confident81.7Confident164 Ų16498.4 Ų98.477%0.76655%0.548SS*.  trans-98.5124.5171.1-71.9-178.3178.400108.1H232H232-E234 IonicContact CE1-OE1 3.66Å; H232-E234 IonicContact NE2-OE1 3.92Å
235L83.9Confident81.9Confident72 Ų72104.5 Ų104.538%0.37758%0.576SS.*  trans-109.3136.3176.9-66.6170.5000109.4F233 F239 F240F233-L235 HydrophobicContact CD2-CD1 3.88Å; F233-L235 HydrophobicContact CD2-CG 3.98Å; F233-L235 HydrophobicContact CE2-CD1 3.96Å; L235-F239 HydrophobicContact CB-CB 4.28Å; L235-F239 HydrophobicContact CB-CD1 4.24Å; L235-F239 HydrophobicContact CB-CG 4.22Å; L235-F239 HydrophobicContact CD1-CD1 3.77Å; L235-F239 HydrophobicContact CD1-CD2 4.5Å; L235-F239 HydrophobicContact CD1-CE1 3.64Å; L235-F239 HydrophobicContact CD1-CE2 4.37Å; L235-F239 HydrophobicContact CD1-CG 4.21Å; L235-F239 HydrophobicContact CD1-CZ 3.96Å; L235-F239 HydrophobicContact CD2-CD2 4.48Å; L235-F240 HydrophobicContact CB-CE2 4.3Å; L235-F240 HydrophobicContact CB-CZ 4.36Å
236P87.8Confident82.2Confident92 Ų92101.4 Ų101.460%0.59757%0.568SS**  trans-55.4150.9174.4-24.934.1000112D238 F239P236-D238 PolarHBondContact O-N 3.01Å; P236-D238 VanDerWaalsContact O-N 3.17Å; P236-F239 WeakPolarHBondContact O-CB 3.46Å; P236-F239 PolarHBondContact O-N 2.89Å
237S87.3Confident82.8Confident94 Ų94101.7 Ų101.766%0.65757%0.568SS**G310 helixtrans-55.4-35.9178.2510000113.2F239 F240S237-F239 PolarHBondContact O-N 3.12Å; S237-F240 PolarHBondContact O-N 2.82Å
238D87.8Confident83.7Confident120 Ų120106.1 Ų106.164%0.64258%0.583SS**G310 helixtrans-66-22.9-177.2-60-7.7000112.1P236 F240 S241P236-D238 PolarHBondContact O-N 3.01Å; P236-D238 VanDerWaalsContact O-N 3.17Å; D238-F240 PolarHBondContact O-N 2.82Å; D238-S241 WeakPolarHBondContact O-CB 3.34Å; D238-S241 PolarHBondContact O-N 2.86Å; D238-S241 PolarHBondContact O-OG 2.89Å
239F88Confident84.8Confident136 Ų136109 Ų10960%0.59657%0.574SS**G310 helixtrans-58.2-32.9171.9178.7-91.6000112.2L235 P236 S237 S241L235-F239 HydrophobicContact CB-CB 4.28Å; L235-F239 HydrophobicContact CB-CD1 4.24Å; L235-F239 HydrophobicContact CB-CG 4.22Å; L235-F239 HydrophobicContact CD1-CD1 3.77Å; L235-F239 HydrophobicContact CD1-CD2 4.5Å; L235-F239 HydrophobicContact CD1-CE1 3.64Å; L235-F239 HydrophobicContact CD1-CE2 4.37Å; L235-F239 HydrophobicContact CD1-CG 4.21Å; L235-F239 HydrophobicContact CD1-CZ 3.96Å; L235-F239 HydrophobicContact CD2-CD2 4.48Å; P236-F239 WeakPolarHBondContact O-CB 3.46Å; P236-F239 PolarHBondContact O-N 2.89Å; S237-F239 PolarHBondContact O-N 3.12Å; F239-S241 VanDerWaalsContact C-N 3.31Å
240F87.7Confident85.8Confident148 Ų148106.8 Ų106.865%0.64956%0.56SS**G310 helixtrans-86.1-5.8179-56.6-78.7000112.8L235 S237 D238L235-F240 HydrophobicContact CB-CE2 4.3Å; L235-F240 HydrophobicContact CB-CZ 4.36Å; S237-F240 PolarHBondContact O-N 2.82Å; D238-F240 PolarHBondContact O-N 2.82Å
241S89.8Confident87Confident66 Ų66110.2 Ų110.246%0.46257%0.567SS.*SBendtrans-88.4118.1178.273.80000110.4D238 F239 T243D238-S241 WeakPolarHBondContact O-CB 3.34Å; D238-S241 PolarHBondContact O-N 2.86Å; D238-S241 PolarHBondContact O-OG 2.89Å; F239-S241 VanDerWaalsContact C-N 3.31Å; S241-T243 PolarHBondContact O-N 2.83Å
242L88.4Confident88.2Confident122 Ų122113.9 Ų113.964%0.63957%0.567SS**PPolyproline II helixtrans-74124.2179.6-69.2172.2000110.7E246 V247L242-E246 HydrophobicContact CD2-CB 4.42Å; L242-V247 HydrophobicContact CB-CG2 4.04Å
243T91.1Very high89.2Confident68 Ų68112.7 Ų112.742%0.41756%0.564SS.*PPolyproline II helixtrans-73.5155.1172.363.50000111.1S241 E245 E246 V247S241-T243 PolarHBondContact O-N 2.83Å; T243-E245 PolarHBondContact O-N 2.89Å; T243-E245 VanDerWaalsContact O-N 3.13Å; T243-E246 PolarHBondContact N-OE2 2.9Å; T243-E246 PolarHBondContact O-N 3.39Å; T243-E246 VanDerWaalsContact O-N 3.15Å; T243-E246 VanDerWaalsContact OG1-CD 3.23Å; T243-E246 VanDerWaalsContact OG1-CG 3.23Å; T243-E246 WeakPolarHBondContact OG1-CG 3.14Å; T243-E246 PolarHBondContact OG1-N 3.38Å; T243-E246 PolarHBondContact OG1-OE2 3.28Å; T243-V247 WeakPolarHBondContact O-CG2 3.08Å; T243-V247 PolarHBondContact O-N 3.18Å; T243-V247 VanDerWaalsContact O-N 3.08Å
244A92.7Very high90.1Very high73 Ų73113 Ų11360%0.60356%0.561SS**Hα-helixtrans-59.6-2617600000112.8K248A244-K248 VanDerWaalsContact O-CG 3.29Å; A244-K248 WeakPolarHBondContact O-CG 3.28Å; A244-K248 PolarHBondContact O-N 3.29Å
245E93Very high90.7Very high145 Ų145108.4 Ų108.468%0.67854%0.544SS*.Hα-helixtrans-73.4-42.6176.2-63.7-174.2171.600112.3T243 K248 R249T243-E245 PolarHBondContact O-N 2.89Å; T243-E245 VanDerWaalsContact O-N 3.13Å; E245-K248 PolarHBondContact O-N 2.96Å; E245-R249 WeakPolarHBondContact O-CB 3.39Å; E245-R249 PolarHBondContact O-N 2.84Å
246E91.6Very high91.1Very high77 Ų77110.4 Ų110.436%0.3655%0.551SS.*Hα-helixtrans-64-42.5175.5-73.5163.1148.100111.5L242 T243 K248 R249 E250L242-E246 HydrophobicContact CD2-CB 4.42Å; T243-E246 PolarHBondContact N-OE2 2.9Å; T243-E246 PolarHBondContact O-N 3.39Å; T243-E246 VanDerWaalsContact O-N 3.15Å; T243-E246 VanDerWaalsContact OG1-CD 3.23Å; T243-E246 VanDerWaalsContact OG1-CG 3.23Å; T243-E246 WeakPolarHBondContact OG1-CG 3.14Å; T243-E246 PolarHBondContact OG1-N 3.38Å; T243-E246 PolarHBondContact OG1-OE2 3.28Å; E246-K248 VanDerWaalsContact C-N 3.35Å; E246-K248 PolarHBondContact O-N 2.87Å; E246-R249 WeakPolarHBondContact O-CB 3.35Å; E246-R249 PolarHBondContact O-N 2.78Å; E246-R249 VanDerWaalsContact O-N 3.16Å; E246-E250 WeakPolarHBondContact O-CB 3.44Å; E246-E250 PolarHBondContact O-N 3.46Å
247V92.4Very high91.1Very high71 Ų71108.3 Ų108.343%0.4354%0.542SS..Hα-helixtrans-60.1-45.4175.3175.90000111L242 T243 R249 E250 Q251L242-V247 HydrophobicContact CB-CG2 4.04Å; T243-V247 WeakPolarHBondContact O-CG2 3.08Å; T243-V247 PolarHBondContact O-N 3.18Å; T243-V247 VanDerWaalsContact O-N 3.08Å; V247-R249 VanDerWaalsContact C-N 3.33Å; V247-R249 PolarHBondContact O-N 3.33Å; V247-E250 PolarHBondContact O-N 3.26Å; V247-Q251 WeakPolarHBondContact O-CB 3.2Å; V247-Q251 PolarHBondContact O-N 2.99Å
248K94.5Very high91.3Very high133 Ų133108.4 Ų108.458%0.57854%0.538SS*.Hα-helixtrans-62.7-39.7175.6-77.3175.5-177.9176.90112A244 E245 E246 Q251 R252A244-K248 VanDerWaalsContact O-CG 3.29Å; A244-K248 WeakPolarHBondContact O-CG 3.28Å; A244-K248 PolarHBondContact O-N 3.29Å; E245-K248 PolarHBondContact O-N 2.96Å; E246-K248 VanDerWaalsContact C-N 3.35Å; E246-K248 PolarHBondContact O-N 2.87Å; K248-Q251 PolarHBondContact O-N 3.32Å; K248-R252 WeakPolarHBondContact O-CG 3.3Å; K248-R252 PolarHBondContact O-N 2.97Å; K248-R252 VanDerWaalsContact O-N 3.08Å
249R93.5Very high91.3Very high151 Ų151108.3 Ų108.357%0.5753%0.534SS*.Hα-helixtrans-65.1-45.8177.6-171.1-171.5-59.2162.53.3111.1E245 E246 V247 Q251 R252 L253E245-R249 WeakPolarHBondContact O-CB 3.39Å; E245-R249 PolarHBondContact O-N 2.84Å; E246-R249 WeakPolarHBondContact O-CB 3.35Å; E246-R249 PolarHBondContact O-N 2.78Å; E246-R249 VanDerWaalsContact O-N 3.16Å; V247-R249 VanDerWaalsContact C-N 3.33Å; V247-R249 PolarHBondContact O-N 3.33Å; R249-Q251 VanDerWaalsContact C-N 3.33Å; R249-Q251 PolarHBondContact O-N 3.06Å; R249-R252 PolarHBondContact O-N 3.12Å; R249-L253 HydrophobicContact CG-CD1 4.49Å; R249-L253 WeakPolarHBondContact O-CG 3.47Å; R249-L253 PolarHBondContact O-N 2.95Å
250E91.7Very high91.1Very high81 Ų81107.5 Ų107.538%0.37953%0.527SS..Hα-helixtrans-61.9-42.3177.1-169.1-176.3179.800111.3E246 V247 R252 L253 R254E246-E250 WeakPolarHBondContact O-CB 3.44Å; E246-E250 PolarHBondContact O-N 3.46Å; V247-E250 PolarHBondContact O-N 3.26Å; E250-R252 VanDerWaalsContact C-N 3.33Å; E250-R252 PolarHBondContact O-N 2.82Å; E250-L253 PolarHBondContact O-N 3.44Å; E250-R254 WeakPolarHBondContact O-CB 3.42Å; E250-R254 WeakPolarHBondContact O-CG 3.21Å; E250-R254 PolarHBondContact O-N 3.34Å; E250-R254 IonicContact OE1-CZ 3.77Å; E250-R254 IonicContact OE1-NE 2.64Å; E250-R254 PolarHBondContact OE1-NE 3.37Å; E250-R254 IonicContact OE1-NH2 3.2Å; E250-R254 PolarHBondContact OE1-NH2 3.32Å
251Q93.3Very high90.9Very high126 Ų126107.7 Ų107.759%0.58953%0.534SS*.Hα-helixtrans-58.5-44.7174.8-172.7179.811.200111.6V247 K248 R249 R254 T255V247-Q251 WeakPolarHBondContact O-CB 3.2Å; V247-Q251 PolarHBondContact O-N 2.99Å; K248-Q251 PolarHBondContact O-N 3.32Å; R249-Q251 VanDerWaalsContact C-N 3.33Å; R249-Q251 PolarHBondContact O-N 3.06Å; Q251-R254 PolarHBondContact O-N 3.4Å; Q251-T255 PolarHBondContact O-N 3.39Å; Q251-T255 PolarHBondContact O-OG1 3.26Å; Q251-T255 VanDerWaalsContact O-OG1 3.05Å
252R93.9Very high90.7Very high171 Ų171108.9 Ų108.965%0.64554%0.542SS*.Hα-helixtrans-60.7-48.8176.2-72174.3-176.1-177.20.4112K248 R249 E250 R254 T255 E256K248-R252 WeakPolarHBondContact O-CG 3.3Å; K248-R252 PolarHBondContact O-N 2.97Å; K248-R252 VanDerWaalsContact O-N 3.08Å; R249-R252 PolarHBondContact O-N 3.12Å; E250-R252 VanDerWaalsContact C-N 3.33Å; E250-R252 PolarHBondContact O-N 2.82Å; R252-R254 VanDerWaalsContact C-N 3.29Å; R252-R254 PolarHBondContact O-N 3.34Å; R252-T255 PolarHBondContact O-N 3.04Å; R252-T255 VanDerWaalsContact O-N 3.15Å; R252-E256 WeakPolarHBondContact O-CG 3.25Å; R252-E256 PolarHBondContact O-N 2.89Å
253L93.1Very high90.5Very high102 Ų102105.8 Ų105.853%0.53453%0.531SS..Hα-helixtrans-60.1-38.6178.4-69.6173.5000112.3R249 E250 A257R249-L253 HydrophobicContact CG-CD1 4.49Å; R249-L253 WeakPolarHBondContact O-CG 3.47Å; R249-L253 PolarHBondContact O-N 2.95Å; E250-L253 PolarHBondContact O-N 3.44Å; L253-A257 WeakPolarHBondContact O-CB 3.42Å; L253-A257 PolarHBondContact O-N 2.87Å
254R91.5Very high90.1Very high161 Ų161110.9 Ų110.961%0.60856%0.555SS**Hα-helixtrans-65.6-44.2174.6-72.7177.9-177.8-170.70.8111.7E250 Q251 R252 A257 V258E250-R254 WeakPolarHBondContact O-CB 3.42Å; E250-R254 WeakPolarHBondContact O-CG 3.21Å; E250-R254 PolarHBondContact O-N 3.34Å; E250-R254 IonicContact OE1-CZ 3.77Å; E250-R254 IonicContact OE1-NE 2.64Å; E250-R254 PolarHBondContact OE1-NE 3.37Å; E250-R254 IonicContact OE1-NH2 3.2Å; E250-R254 PolarHBondContact OE1-NH2 3.32Å; Q251-R254 PolarHBondContact O-N 3.4Å; R252-R254 VanDerWaalsContact C-N 3.29Å; R252-R254 PolarHBondContact O-N 3.34Å; R254-A257 PolarHBondContact O-N 2.99Å; R254-V258 WeakPolarHBondContact O-CG2 3.42Å; R254-V258 PolarHBondContact O-N 2.9Å
255T92.8Very high89.5Confident67 Ų67109.7 Ų109.741%0.41153%0.534SS..Hα-helixtrans-60-49.3176-58.50000111.2Q251 R252 A257 V258 E259Q251-T255 PolarHBondContact O-N 3.39Å; Q251-T255 PolarHBondContact O-OG1 3.26Å; Q251-T255 VanDerWaalsContact O-OG1 3.05Å; R252-T255 PolarHBondContact O-N 3.04Å; R252-T255 VanDerWaalsContact O-N 3.15Å; T255-A257 VanDerWaalsContact C-N 3.31Å; T255-A257 PolarHBondContact O-N 3.11Å; T255-V258 PolarHBondContact O-N 3.2Å; T255-V258 VanDerWaalsContact O-N 3.16Å; T255-E259 WeakPolarHBondContact O-CG 3.44Å; T255-E259 PolarHBondContact O-N 2.8Å
256E91.3Very high89.2Confident115 Ų115107.1 Ų107.154%0.53753%0.529SS..Hα-helixtrans-59.9-40.2177.3-71.3172.9-164.900112.1R252 E259 R260R252-E256 WeakPolarHBondContact O-CG 3.25Å; R252-E256 PolarHBondContact O-N 2.89Å; E256-E259 PolarHBondContact O-N 3.4Å; E256-R260 VanDerWaalsContact O-CB 3.24Å; E256-R260 WeakPolarHBondContact O-CB 3.5Å; E256-R260 PolarHBondContact O-N 2.85Å
257A88.6Confident89.1Confident47 Ų47110.7 Ų110.739%0.38854%0.543SS..Hα-helixtrans-63.9-41.2176.400000112.1L253 R254 T255 R260 L261L253-A257 WeakPolarHBondContact O-CB 3.42Å; L253-A257 PolarHBondContact O-N 2.87Å; R254-A257 PolarHBondContact O-N 2.99Å; T255-A257 VanDerWaalsContact C-N 3.31Å; T255-A257 PolarHBondContact O-N 3.11Å; A257-R260 WeakPolarHBondContact O-CB 3.39Å; A257-R260 PolarHBondContact O-N 2.94Å; A257-L261 VanDerWaalsContact O-CG 3.3Å; A257-L261 WeakPolarHBondContact O-CG 3.19Å; A257-L261 PolarHBondContact O-N 2.75Å
258V90.1Very high88.9Confident97 Ų97110.5 Ų110.559%0.58855%0.549SS*.Hα-helixtrans-65.5-43.6176.3171.50000111R254 T255 R260 L261 S262R254-V258 WeakPolarHBondContact O-CG2 3.42Å; R254-V258 PolarHBondContact O-N 2.9Å; T255-V258 PolarHBondContact O-N 3.2Å; T255-V258 VanDerWaalsContact O-N 3.16Å; V258-R260 VanDerWaalsContact C-N 3.31Å; V258-R260 PolarHBondContact O-N 2.87Å; V258-L261 PolarHBondContact O-N 2.74Å; V258-S262 WeakPolarHBondContact O-CB 3.46Å; V258-S262 PolarHBondContact O-N 2.84Å; V258-S262 PolarHBondContact O-OG 3.37Å
259E88.7Confident88.5Confident117 Ų117108.2 Ų108.255%0.54754%0.541SS..Hα-helixtrans-62.2-38.6174.7-71.3176.3-18000112.3T255 E256 L261 S262 S263T255-E259 WeakPolarHBondContact O-CG 3.44Å; T255-E259 PolarHBondContact O-N 2.8Å; E256-E259 PolarHBondContact O-N 3.4Å; E259-L261 VanDerWaalsContact C-N 3.32Å; E259-L261 PolarHBondContact O-N 2.77Å; E259-S262 WeakPolarHBondContact CA-OG 3.09Å; E259-S262 PolarHBondContact O-N 2.83Å; E259-S262 PolarHBondContact O-OG 3.14Å; E259-S263 WeakPolarHBondContact O-CB 3.49Å; E259-S263 PolarHBondContact O-N 3.01Å; E259-S263 PolarHBondContact O-OG 3.1Å
260R83.8Confident88.1Confident120 Ų120107.7 Ų107.745%0.45354%0.539SS..Hα-helixtrans-64.3-36.9176-164.3-175.7-171.2145.4-0.1112.5E256 A257 V258 S263 R265 E273E256-R260 VanDerWaalsContact O-CB 3.24Å; E256-R260 WeakPolarHBondContact O-CB 3.5Å; E256-R260 PolarHBondContact O-N 2.85Å; A257-R260 WeakPolarHBondContact O-CB 3.39Å; A257-R260 PolarHBondContact O-N 2.94Å; V258-R260 VanDerWaalsContact C-N 3.31Å; V258-R260 PolarHBondContact O-N 2.87Å; R260-S263 PolarHBondContact O-OG 3.33Å; R260-R265 VanDerWaalsContact NE-CZ 3.32Å; R260-R265 VanDerWaalsContact NE-NH1 3.14Å; R260-E273 IonicContact CZ-OE1 2.63Å; R260-E273 IonicContact NE-OE1 3.78Å; R260-E273 IonicContact NH2-OE1 3.22Å; R260-E273 PolarHBondContact NH2-OE1 3.46Å; R260-E273 IonicContact NH2-OE2 3.67Å; R260-E273 PolarHBondContact NH2-OE2 2.9Å
261L83.8Confident88Confident152 Ų152107.7 Ų107.780%0.79654%0.539SS*.Hα-helixtrans-80.3-31.3178.3-70.5171.9000112.6A257 V258 E259A257-L261 VanDerWaalsContact O-CG 3.3Å; A257-L261 WeakPolarHBondContact O-CG 3.19Å; A257-L261 PolarHBondContact O-N 2.75Å; V258-L261 PolarHBondContact O-N 2.74Å; E259-L261 VanDerWaalsContact C-N 3.32Å; E259-L261 PolarHBondContact O-N 2.77Å
262S84.6Confident87.8Confident90 Ų90109.2 Ų109.263%0.62954%0.544SS*.Hα-helixtrans-80.4-24.5179.569.10000113.2V258 E259V258-S262 WeakPolarHBondContact O-CB 3.46Å; V258-S262 PolarHBondContact O-N 2.84Å; V258-S262 PolarHBondContact O-OG 3.37Å; E259-S262 WeakPolarHBondContact CA-OG 3.09Å; E259-S262 PolarHBondContact O-N 2.83Å; E259-S262 PolarHBondContact O-OG 3.14Å
263S84.5Confident87.4Confident58 Ų58103.8 Ų103.841%0.40653%0.526SS..SBendtrans-76.3125.1175.653.50000112.1E259 R260 R265E259-S263 WeakPolarHBondContact O-CB 3.49Å; E259-S263 PolarHBondContact O-N 3.01Å; E259-S263 PolarHBondContact O-OG 3.1Å; R260-S263 PolarHBondContact O-OG 3.33Å; S263-R265 PolarHBondContact O-N 3.07Å
264L82.4Confident87.1Confident175 Ų175104.6 Ų104.692%0.91653%0.527SS*.  trans-67.3104.9173-71.2176000110
265R80.3Confident86.8Confident48 Ų48101.3 Ų101.318%0.18152%0.518CS..  trans-85126.9173.8-63.9176.8165.6-148.9-26.3110.4R260 S263 M269 R270 E273R260-R265 VanDerWaalsContact NE-CZ 3.32Å; R260-R265 VanDerWaalsContact NE-NH1 3.14Å; S263-R265 PolarHBondContact O-N 3.07Å; R265-M269 HydrophobicContact CB-CB 4.43Å; R265-M269 HydrophobicContact CB-SD 4.11Å; R265-M269 HydrophobicContact CG-CE 4.12Å; R265-M269 HydrophobicContact CG-SD 3.78Å; R265-R270 HydrophobicContact CB-CG 4.15Å; R265-R270 PolarHBondContact O-NH2 3.24Å; R265-R270 VanDerWaalsContact O-NH2 3.17Å; R265-E273 IonicContact CZ-OE2 3.81Å; R265-E273 VanDerWaalsContact CZ-OE2 3.27Å; R265-E273 VanDerWaalsContact NH1-CD 3.27Å; R265-E273 IonicContact NH1-OE1 2.77Å; R265-E273 PolarHBondContact NH1-OE1 3.16Å; R265-E273 IonicContact NH1-OE2 3.89Å; R265-E273 PolarHBondContact NH1-OE2 3.07Å; R265-E273 IonicContact NH2-OE2 3.06Å; R265-E273 PolarHBondContact NH2-OE2 3.05Å
266T87.3Confident86.5Confident91 Ų91107.3 Ų107.356%0.55853%0.533SS*.  trans-64.5154.3170.963.70000110A268 M269 R270T266-A268 PolarHBondContact O-N 3.23Å; T266-M269 WeakPolarHBondContact O-CB 3.47Å; T266-M269 PolarHBondContact O-N 2.9Å; T266-M269 PolarHBondContact OG1-N 3.33Å; T266-R270 PolarHBondContact O-N 3.47Å
267K89Confident86.2Confident152 Ų152106.4 Ų106.466%0.66153%0.529SS*.Hα-helixtrans-51-43.5174.7-179.5174.9171.3175.90111.8M269 R270 E271K267-M269 VanDerWaalsContact C-N 3.3Å; K267-M269 PolarHBondContact O-N 3.03Å; K267-R270 PolarHBondContact O-N 3.42Å; K267-R270 VanDerWaalsContact O-N 3.16Å; K267-E271 WeakPolarHBondContact CE-OE1 3.46Å; K267-E271 HydrophobicContact CG-CG 4.49Å; K267-E271 WeakPolarHBondContact CG-OE1 3.33Å; K267-E271 IonicContact NZ-OE1 2.9Å; K267-E271 WeakPolarHBondContact O-CG 3.48Å; K267-E271 PolarHBondContact O-N 3.03Å
268A88Confident86Confident66 Ų66107 Ų10755%0.54553%0.526SS..Hα-helixtrans-60.1-35.9176.500000113.6T266 K272T266-A268 PolarHBondContact O-N 3.23Å; A268-K272 VanDerWaalsContact O-CB 3.28Å; A268-K272 WeakPolarHBondContact O-CB 3.44Å; A268-K272 PolarHBondContact O-N 3.33Å; A268-K272 VanDerWaalsContact O-N 3.07Å
269M86.1Confident85.8Confident86 Ų86109.7 Ų109.742%0.42453%0.525SS..Hα-helixtrans-69-37.4177.4-173.4176.6170.800111.8R265 T266 K267 E273R265-M269 HydrophobicContact CB-CB 4.43Å; R265-M269 HydrophobicContact CB-SD 4.11Å; R265-M269 HydrophobicContact CG-CE 4.12Å; R265-M269 HydrophobicContact CG-SD 3.78Å; T266-M269 WeakPolarHBondContact O-CB 3.47Å; T266-M269 PolarHBondContact O-N 2.9Å; T266-M269 PolarHBondContact OG1-N 3.33Å; K267-M269 VanDerWaalsContact C-N 3.3Å; K267-M269 PolarHBondContact O-N 3.03Å; M269-E273 PolarHBondContact O-N 3.05Å
270R85.4Confident85.8Confident140 Ų140109.6 Ų109.653%0.52852%0.523SS..Hα-helixtrans-68.8-48.7176.8-60.2-177.6-159.2150.54.9111.6R265 T266 K267 K272 E273 E274R265-R270 HydrophobicContact CB-CG 4.15Å; R265-R270 PolarHBondContact O-NH2 3.24Å; R265-R270 VanDerWaalsContact O-NH2 3.17Å; T266-R270 PolarHBondContact O-N 3.47Å; K267-R270 PolarHBondContact O-N 3.42Å; K267-R270 VanDerWaalsContact O-N 3.16Å; R270-K272 VanDerWaalsContact C-N 3.29Å; R270-K272 PolarHBondContact O-N 3.31Å; R270-E273 WeakPolarHBondContact O-CB 3.33Å; R270-E273 PolarHBondContact O-N 3.06Å; R270-E274 WeakPolarHBondContact O-CG 3.25Å; R270-E274 PolarHBondContact O-N 2.92Å
271E89.9Confident86.1Confident80 Ų80108.2 Ų108.237%0.37452%0.518SS..Hα-helixtrans-60.5-39.5178.5-70.3173178.800111.9K267 E273 E274 Q275K267-E271 WeakPolarHBondContact CE-OE1 3.46Å; K267-E271 HydrophobicContact CG-CG 4.49Å; K267-E271 WeakPolarHBondContact CG-OE1 3.33Å; K267-E271 IonicContact NZ-OE1 2.9Å; K267-E271 WeakPolarHBondContact O-CG 3.48Å; K267-E271 PolarHBondContact O-N 3.03Å; E271-E273 VanDerWaalsContact C-N 3.29Å; E271-E273 PolarHBondContact O-N 3.24Å; E271-E274 PolarHBondContact O-N 3.23Å; E271-Q275 WeakPolarHBondContact O-CB 3.31Å; E271-Q275 VanDerWaalsContact O-CG 3.25Å; E271-Q275 WeakPolarHBondContact O-CG 3.28Å; E271-Q275 PolarHBondContact O-N 2.97Å
272K89.1Confident86.4Confident158 Ų158105 Ų10569%0.68751%0.505SS*.Hα-helixtrans-63-36.8175.5-176.4177.5179.1-179.20112.2A268 R270 R276A268-K272 VanDerWaalsContact O-CB 3.28Å; A268-K272 WeakPolarHBondContact O-CB 3.44Å; A268-K272 PolarHBondContact O-N 3.33Å; A268-K272 VanDerWaalsContact O-N 3.07Å; R270-K272 VanDerWaalsContact C-N 3.29Å; R270-K272 PolarHBondContact O-N 3.31Å; K272-R276 WeakPolarHBondContact O-CB 3.35Å; K272-R276 PolarHBondContact O-N 3.33Å
273E85.7Confident86.9Confident57 Ų57103.1 Ų103.127%0.26649%0.485SS..Hα-helixtrans-71.9-45.1178.3-169.4175.5120.100111.7R260 R265 M269 R270 E271 Q275 R276 E277R260-E273 IonicContact CZ-OE1 2.63Å; R260-E273 IonicContact NE-OE1 3.78Å; R260-E273 IonicContact NH2-OE1 3.22Å; R260-E273 PolarHBondContact NH2-OE1 3.46Å; R260-E273 IonicContact NH2-OE2 3.67Å; R260-E273 PolarHBondContact NH2-OE2 2.9Å; R265-E273 IonicContact CZ-OE2 3.81Å; R265-E273 VanDerWaalsContact CZ-OE2 3.27Å; R265-E273 VanDerWaalsContact NH1-CD 3.27Å; R265-E273 IonicContact NH1-OE1 2.77Å; R265-E273 PolarHBondContact NH1-OE1 3.16Å; R265-E273 IonicContact NH1-OE2 3.89Å; R265-E273 PolarHBondContact NH1-OE2 3.07Å; R265-E273 IonicContact NH2-OE2 3.06Å; R265-E273 PolarHBondContact NH2-OE2 3.05Å; M269-E273 PolarHBondContact O-N 3.05Å; R270-E273 WeakPolarHBondContact O-CB 3.33Å; R270-E273 PolarHBondContact O-N 3.06Å; E271-E273 VanDerWaalsContact C-N 3.29Å; E271-E273 PolarHBondContact O-N 3.24Å; E273-Q275 VanDerWaalsContact C-N 3.35Å; E273-Q275 PolarHBondContact O-N 3.22Å; E273-R276 WeakPolarHBondContact O-CA 3.22Å; E273-R276 WeakPolarHBondContact O-CB 2.84Å; E273-R276 PolarHBondContact O-N 3.28Å; E273-E277 PolarHBondContact O-N 3.17Å
274E85.4Confident87.3Confident120 Ų120100.5 Ų100.556%0.56147%0.466SS*.Hα-helixtrans-59.3-45.1173.5-71.4168.7-172.600111.4R270 E271 R276 E277 L278R270-E274 WeakPolarHBondContact O-CG 3.25Å; R270-E274 PolarHBondContact O-N 2.92Å; E271-E274 PolarHBondContact O-N 3.23Å; E274-R276 PolarHBondContact O-N 3.15Å; E274-E277 PolarHBondContact O-N 3.32Å; E274-L278 WeakPolarHBondContact O-CB 3.44Å; E274-L278 WeakPolarHBondContact O-CG 3.44Å; E274-L278 PolarHBondContact O-N 3.37Å
275Q85.7Confident87.8Confident92 Ų9293.2 Ų93.243%0.4343%0.428SS..Hα-helixtrans-62.4-32.3174.5-74.5-1792400112.6E271 E273 R279E271-Q275 WeakPolarHBondContact O-CB 3.31Å; E271-Q275 VanDerWaalsContact O-CG 3.25Å; E271-Q275 WeakPolarHBondContact O-CG 3.28Å; E271-Q275 PolarHBondContact O-N 2.97Å; E273-Q275 VanDerWaalsContact C-N 3.35Å; E273-Q275 PolarHBondContact O-N 3.22Å; Q275-R279 VanDerWaalsContact O-CB 3.3Å; Q275-R279 WeakPolarHBondContact O-CB 3.35Å; Q275-R279 VanDerWaalsContact O-CD 3.31Å; Q275-R279 WeakPolarHBondContact O-CD 3.26Å; Q275-R279 WeakPolarHBondContact O-CG 3.31Å; Q275-R279 PolarHBondContact O-N 3.43Å
276R87Confident88.5Confident192 Ų19291 Ų9173%0.72542%0.42SS*.Hα-helixtrans-69-44.3176-174.1-177.6179.9-173.3-0.8110.7K272 E273 E274 R279 K280K272-R276 WeakPolarHBondContact O-CB 3.35Å; K272-R276 PolarHBondContact O-N 3.33Å; E273-R276 WeakPolarHBondContact O-CA 3.22Å; E273-R276 WeakPolarHBondContact O-CB 2.84Å; E273-R276 PolarHBondContact O-N 3.28Å; E274-R276 PolarHBondContact O-N 3.15Å; R276-R279 CarbonylContact O-C 3.54Å; R276-R279 PolarHBondContact O-N 2.96Å; R276-K280 PolarHBondContact O-N 3.2Å
277E83.8Confident88.8Confident96 Ų9689.6 Ų89.645%0.44940%0.404SS..Hα-helixtrans-64.6-44.7176.8-69.6-57.6136.600111.5E273 E274 R279 K280E273-E277 PolarHBondContact O-N 3.17Å; E274-E277 PolarHBondContact O-N 3.32Å; E277-R279 PolarHBondContact O-N 3.18Å; E277-R279 VanDerWaalsContact O-N 3.11Å; E277-K280 WeakPolarHBondContact O-CB 3.29Å; E277-K280 PolarHBondContact O-N 2.62Å; E277-K280 VanDerWaalsContact O-N 3.07Å; E277-K280 WeakPolarHBondContact OE2-CD 3.37Å; E277-K280 IonicContact OE2-NZ 3.22Å; E277-K280 PolarHBondContact OE2-NZ 3.24Å
278L84.8Confident89.1Confident60 Ų6082.3 Ų82.331%0.31437%0.373SS..Hα-helixtrans-61.3-22.6176.2-72.9166.1000113.7E274 N343 E344E274-L278 WeakPolarHBondContact O-CB 3.44Å; E274-L278 WeakPolarHBondContact O-CG 3.44Å; E274-L278 PolarHBondContact O-N 3.37Å; L278-N343 HydrophobicContact CD2-CB 4.06Å; L278-N343 PolarHBondContact O-ND2 3.49Å; L278-E344 HydrophobicContact CD2-CG 4.2Å
279R86.1Confident89.3Confident153 Ų15385.8 Ų85.858%0.57737%0.372SS*.THydrogen-bonded Turntrans-100.3-5.7179.6-69.1176.8-171.6-176.28113.6Q275 R276 E277 Y281Q275-R279 VanDerWaalsContact O-CB 3.3Å; Q275-R279 WeakPolarHBondContact O-CB 3.35Å; Q275-R279 VanDerWaalsContact O-CD 3.31Å; Q275-R279 WeakPolarHBondContact O-CD 3.26Å; Q275-R279 WeakPolarHBondContact O-CG 3.31Å; Q275-R279 PolarHBondContact O-N 3.43Å; R276-R279 CarbonylContact O-C 3.54Å; R276-R279 PolarHBondContact O-N 2.96Å; E277-R279 PolarHBondContact O-N 3.18Å; E277-R279 VanDerWaalsContact O-N 3.11Å; R279-Y281 VanDerWaalsContact C-N 3.27Å; R279-Y281 PolarHBondContact O-N 2.68Å
280K88.8Confident89.6Confident115 Ų11581.9 Ų81.950%0.535%0.353SS..THydrogen-bonded Turntrans-61.9-37.9-174.8-173.3174.2-180-179.20112R276 E277R276-K280 PolarHBondContact O-N 3.2Å; E277-K280 WeakPolarHBondContact O-CB 3.29Å; E277-K280 PolarHBondContact O-N 2.62Å; E277-K280 VanDerWaalsContact O-N 3.07Å; E277-K280 WeakPolarHBondContact OE2-CD 3.37Å; E277-K280 IonicContact OE2-NZ 3.22Å; E277-K280 PolarHBondContact OE2-NZ 3.24Å
281Y89.9Confident89.6Confident92 Ų9279.1 Ų79.136%0.36135%0.353SS..  trans-117.4136.8-178.9-56.5-72000110.6R279 A302 V348 P349R279-Y281 VanDerWaalsContact C-N 3.27Å; R279-Y281 PolarHBondContact O-N 2.68Å; Y281-A302 VanDerWaalsContact O-CB 3.26Å; Y281-A302 WeakPolarHBondContact O-CB 3.47Å; Y281-V348 HydrophobicContact CD2-CG1 3.72Å; Y281-V348 HydrophobicContact CG-CG1 3.83Å; Y281-P349 HydrophobicContact CD1-CB 3.75Å; Y281-P349 HydrophobicContact CD1-CG 4.35Å; Y281-P349 HydrophobicContact CD2-CB 4.22Å; Y281-P349 HydrophobicContact CE1-CB 3.88Å; Y281-P349 HydrophobicContact CE1-CG 3.97Å; Y281-P349 HydrophobicContact CE2-CB 4.34Å; Y281-P349 HydrophobicContact CE2-CG 4.16Å; Y281-P349 HydrophobicContact CG-CB 3.93Å
282T91.5Very high89.4Confident85 Ų8577.9 Ų77.952%0.52135%0.349SS..SBendtrans-91.4-30.6175.7-55.70000111.7A302T282-A302 PolarHBondContact O-N 3.07Å
283Y93.5Very high89.2Confident50 Ų5071.1 Ų71.120%0.19632%0.324CS..EExtended strand (participates in β ladder)trans-124.5159-175.7-51.7-76000110.6V68 F70 L217 F300 Y301V68-Y283 HydrophobicContact CG1-CD1 3.95Å; V68-Y283 HydrophobicContact CG1-CD2 4.39Å; V68-Y283 HydrophobicContact CG1-CE1 3.71Å; V68-Y283 HydrophobicContact CG1-CE2 4.19Å; V68-Y283 HydrophobicContact CG1-CG 4.29Å; V68-Y283 HydrophobicContact CG2-CD2 3.94Å; V68-Y283 HydrophobicContact CG2-CE2 4.23Å; V68-Y283 HydrophobicContact CG2-CG 4.19Å; F70-Y283 HydrophobicContact CZ-CE1 4.11Å; F70-Y283 WeakPolarHBondContact CZ-OH 3.23Å; L217-Y283 HydrophobicContact CD1-CD1 4.2Å; L217-Y283 HydrophobicContact CD1-CE1 4.01Å; L217-Y283 HydrophobicContact CD2-CD1 4.4Å; Y283-F300 CarbonylContact C-O 3.59Å; Y283-F300 WeakPolarHBondContact CA-O 3.39Å; Y283-Y301 AromaticContact CD1-CD1 3.89Å; Y283-Y301 HydrophobicContact CD1-CD1 3.89Å; Y283-Y301 HydrophobicContact CD1-CE1 4.17Å; Y283-Y301 AromaticContact CE1-CD1 3.65Å; Y283-Y301 HydrophobicContact CE1-CD1 3.65Å; Y283-Y301 AromaticContact CE1-CE1 3.49Å; Y283-Y301 HydrophobicContact CE1-CE1 3.49Å; Y283-Y301 VanDerWaalsContact CE1-CE1 3.49Å
284A93.5Very high89.3Confident2 Ų268.5 Ų68.52%0.01731%0.312CS..EExtended strand (participates in β ladder)trans-133.1135.9176.700000109.4F300 L342 V348 P349A284-F300 PolarHBondContact N-O 3.34Å; A284-F300 PolarHBondContact O-N 3.38Å; A284-L342 HydrophobicContact CB-CD1 4.3Å; A284-V348 HydrophobicContact CB-CG2 3.85Å; A284-P349 CarbonylContact C-O 3.58Å; A284-P349 WeakPolarHBondContact CA-O 3.35Å
285L94Very high89.6Confident22 Ų2263.8 Ų63.812%0.11529%0.291CS..EExtended strand (participates in β ladder)trans-98.9116.8170.9-172.765.4000108.9A64 V65 Q297 P349 S350 A351A64-L285 HydrophobicContact CB-CD2 3.83Å; V65-L285 HydrophobicContact CG2-CD1 3.53Å; V65-L285 HydrophobicContact CG2-CD2 3.94Å; V65-L285 HydrophobicContact CG2-CG 4.38Å; L285-Q297 HydrophobicContact CD1-CG 3.6Å; L285-Q297 HydrophobicContact CG-CG 4.19Å; L285-P349 PolarHBondContact N-O 3.37Å; L285-S350 CarbonylContact O-C 3.58Å; L285-S350 VanDerWaalsContact O-CA 3.23Å; L285-S350 WeakPolarHBondContact O-CA 3.29Å; L285-A351 PolarHBondContact O-N 3.37Å
286V94.3Very high89.9Confident1 Ų159.4 Ų59.41%0.00627%0.27CS..EExtended strand (participates in β ladder)trans-111128.6-179.7-176.60000109.1V288 Q297 G298 F300 L309 L342 L353V286-V288 HydrophobicContact CG1-CG2 4.25Å; V286-Q297 CarbonylContact O-C 3.37Å; V286-Q297 WeakPolarHBondContact O-CA 3.38Å; V286-G298 PolarHBondContact N-O 3.17Å; V286-G298 PolarHBondContact O-N 2.98Å; V286-F300 HydrophobicContact CB-CD2 4.02Å; V286-F300 HydrophobicContact CB-CE2 4.03Å; V286-F300 HydrophobicContact CG2-CD2 3.84Å; V286-F300 HydrophobicContact CG2-CE2 4.29Å; V286-L309 HydrophobicContact CB-CD1 4.28Å; V286-L309 HydrophobicContact CG1-CD1 3.77Å; V286-L309 HydrophobicContact CG1-CD2 4.36Å; V286-L342 HydrophobicContact CG2-CD1 4.44Å; V286-L353 HydrophobicContact CG1-CD1 3.61Å; V286-L353 HydrophobicContact CG1-CG 4.04Å
287R94Very high90.2Very high62 Ų6250.4 Ų50.423%0.23424%0.236CC..EExtended strand (participates in β ladder)trans-112.4130.6171.4-69.4177.3175.9171.5-2.8108.8L296 Q297 A351 L352 L353R287-L296 CarbonylContact C-O 3.6Å; R287-L296 VanDerWaalsContact CA-O 3.29Å; R287-L296 WeakPolarHBondContact CA-O 2.88Å; R287-Q297 HydrophobicContact CG-CB 4.18Å; R287-Q297 HydrophobicContact CG-CG 4.04Å; R287-Q297 VanDerWaalsContact CZ-OE1 3.31Å; R287-A351 PolarHBondContact N-O 3.26Å; R287-L352 HydrophobicContact CB-CD1 3.81Å; R287-L352 CarbonylContact O-C 3.59Å; R287-L352 WeakPolarHBondContact O-CA 3.42Å; R287-L353 PolarHBondContact O-N 3.36Å
288V94.1Very high90.7Very high0 Ų045.8 Ų45.80%022%0.215CC..EExtended strand (participates in β ladder)trans-114.2115.7178-175.80000108.1V286 L290 L295 L296 V313 L326 L353 F355V286-V288 HydrophobicContact CG1-CG2 4.25Å; V288-L290 HydrophobicContact CG1-CD2 4.48Å; V288-L295 WeakPolarHBondContact O-CA 3.37Å; V288-L296 HydrophobicContact CB-CB 4.31Å; V288-L296 PolarHBondContact N-O 3.01Å; V288-L296 PolarHBondContact O-N 2.76Å; V288-V313 HydrophobicContact CG2-CG2 3.92Å; V288-L326 HydrophobicContact CG1-CD2 3.86Å; V288-L353 CarbonylContact C-O 3.57Å; V288-L353 WeakPolarHBondContact CA-O 3.11Å; V288-L353 HydrophobicContact CG2-CB 4.3Å; V288-L353 HydrophobicContact CG2-CD1 4.41Å; V288-F355 HydrophobicContact CG1-CB 3.8Å
289R92.8Very high91.2Very high139 Ų13943.4 Ų43.453%0.52520%0.202SC..EExtended strand (participates in β ladder)trans-81.8120.9174.3-176.8178.6-179.7173.91.4109.7L295 L352 L353 F355R289-L295 HydrophobicContact CB-CD2 3.81Å; R289-L295 HydrophobicContact CG-CD2 4.19Å; R289-L352 HydrophobicContact CB-CD1 4.4Å; R289-L353 PolarHBondContact N-O 2.73Å; R289-F355 WeakPolarHBondContact O-CB 3.47Å; R289-F355 PolarHBondContact O-N 3.21Å
290L91.3Very high91.7Very high4 Ų436.1 Ų36.12%0.02118%0.175CC..  trans-91.3162.2178.9-62.9173.3000111.3V288 D292 G293 C294 F355 V376 L377V288-L290 HydrophobicContact CG1-CD2 4.48Å; L290-D292 WeakPolarHBondContact CB-OD1 3.18Å; L290-D292 PolarHBondContact O-N 3.25Å; L290-G293 WeakPolarHBondContact O-CA 3.06Å; L290-G293 PolarHBondContact O-N 3.17Å; L290-C294 HydrophobicContact CD1-CB 4.18Å; L290-C294 PolarHBondContact N-O 3.08Å; L290-F355 HydrophobicContact CD2-CB 3.82Å; L290-F355 HydrophobicContact CD2-CD1 4.09Å; L290-F355 HydrophobicContact CD2-CD2 4.12Å; L290-F355 HydrophobicContact CD2-CG 3.76Å; L290-V376 HydrophobicContact CD2-CG1 4.14Å; L290-L377 HydrophobicContact CD1-CD1 3.53Å; L290-L377 HydrophobicContact CD1-CD2 3.63Å; L290-L377 HydrophobicContact CD1-CG 3.39Å
291P86.5Confident91.9Very high81 Ų8134.2 Ų34.253%0.52617%0.165SC..THydrogen-bonded Turntrans-62.5-27.4-179.6-24.334.8000114.2G293 F355 V376P291-G293 PolarHBondContact O-N 3.19Å; P291-F355 HydrophobicContact CG-CD1 3.95Å; P291-F355 HydrophobicContact CG-CE1 4.43Å; P291-V376 HydrophobicContact CG-CG2 4.47Å
292D84.5Confident92.1Very high54 Ų5429.9 Ų29.929%0.28915%0.148SC..THydrogen-bonded Turntrans-75.9-1.517463.5-5.7000113.2L290 C294L290-D292 WeakPolarHBondContact CB-OD1 3.18Å; L290-D292 PolarHBondContact O-N 3.25Å; D292-C294 VanDerWaalsContact C-N 3.32Å; D292-C294 VanDerWaalsContact CG-SG 3.57Å; D292-C294 VanDerWaalsContact OD1-CB 3.31Å; D292-C294 WeakPolarHBondContact OD1-CB 3.25Å; D292-C294 PolarHBondContact OD1-N 3.33Å; D292-C294 PolarHBondContact OD2-SG 3Å
293G85.2Confident92.1Very high17 Ų1733.5 Ų33.518%0.17515%0.152CC..SBendtrans88.1-10.8-17700000113.9P226 L290 P291P226-G293 WeakPolarHBondContact CD-O 3.48Å; P226-G293 WeakPolarHBondContact CG-O 3.28Å; L290-G293 WeakPolarHBondContact O-CA 3.06Å; L290-G293 PolarHBondContact O-N 3.17Å; P291-G293 PolarHBondContact O-N 3.19Å
294C88.8Confident92.1Very high1 Ų132.5 Ų32.51%0.00715%0.149CC..  trans-63.8148.1-180-64.40000111.2V223 L290 D292 L377V223-C294 HydrophobicContact CG1-CB 4.19Å; L290-C294 HydrophobicContact CD1-CB 4.18Å; L290-C294 PolarHBondContact N-O 3.08Å; D292-C294 VanDerWaalsContact C-N 3.32Å; D292-C294 VanDerWaalsContact CG-SG 3.57Å; D292-C294 VanDerWaalsContact OD1-CB 3.31Å; D292-C294 WeakPolarHBondContact OD1-CB 3.25Å; D292-C294 PolarHBondContact OD1-N 3.33Å; D292-C294 PolarHBondContact OD2-SG 3Å; C294-L377 HydrophobicContact CB-CD1 4.38Å
295L91.1Very high92.1Very high22 Ų2238.1 Ų38.112%0.11517%0.174CC..EExtended strand (participates in β ladder)trans-110.7113.8176.6-68.3170.5000109.3V223 F224 V288 R289 L352V223-L295 CarbonylContact C-O 3.52Å; V223-L295 WeakPolarHBondContact CA-O 3.28Å; F224-L295 HydrophobicContact CB-CB 4.21Å; F224-L295 PolarHBondContact N-O 2.87Å; F224-L295 PolarHBondContact O-N 3.06Å; V288-L295 WeakPolarHBondContact O-CA 3.37Å; R289-L295 HydrophobicContact CB-CD2 3.81Å; R289-L295 HydrophobicContact CG-CD2 4.19Å; L295-L352 HydrophobicContact CD2-CD1 3.86Å
296L93.1Very high92Very high0 Ų037.1 Ų37.10%017%0.168CC..EExtended strand (participates in β ladder)trans-89.1117.8172.1-179.569.9000109.3L221 V223 R287 V288 F312 V313 A316L221-L296 HydrophobicContact CD1-CD1 4.09Å; L221-L296 HydrophobicContact CD2-CD1 3.61Å; L221-L296 HydrophobicContact CG-CD1 3.7Å; V223-L296 HydrophobicContact CG2-CD1 3.87Å; R287-L296 CarbonylContact C-O 3.6Å; R287-L296 VanDerWaalsContact CA-O 3.29Å; R287-L296 WeakPolarHBondContact CA-O 2.88Å; V288-L296 HydrophobicContact CB-CB 4.31Å; V288-L296 PolarHBondContact N-O 3.01Å; V288-L296 PolarHBondContact O-N 2.76Å; L296-F312 HydrophobicContact CD2-CD1 4.37Å; L296-F312 HydrophobicContact CD2-CE1 3.86Å; L296-F312 HydrophobicContact CG-CE1 3.94Å; L296-F312 HydrophobicContact CG-CZ 4.39Å; L296-V313 HydrophobicContact CD2-CG2 4.4Å; L296-A316 HydrophobicContact CD1-CB 4.14Å; L296-A316 HydrophobicContact CD2-CB 3.74Å
297Q93.2Very high91.9Very high2 Ų238.7 Ų38.71%0.00918%0.179CC..EExtended strand (participates in β ladder)trans-106.4137.7179.4-174.9176.1-83.200110.9A64 L221 R222 F224 L285 V286 R287A64-Q297 PolarHBondContact O-NE2 3.34Å; L221-Q297 WeakPolarHBondContact CA-O 3.5Å; R222-Q297 HydrophobicContact CB-CB 4.44Å; R222-Q297 PolarHBondContact N-O 3.28Å; R222-Q297 PolarHBondContact O-N 2.98Å; F224-Q297 HydrophobicContact CD2-CB 4.17Å; F224-Q297 HydrophobicContact CE2-CB 3.73Å; F224-Q297 HydrophobicContact CE2-CG 4.33Å; L285-Q297 HydrophobicContact CD1-CG 3.6Å; L285-Q297 HydrophobicContact CG-CG 4.19Å; V286-Q297 CarbonylContact O-C 3.37Å; V286-Q297 WeakPolarHBondContact O-CA 3.38Å; R287-Q297 HydrophobicContact CG-CB 4.18Å; R287-Q297 HydrophobicContact CG-CG 4.04Å; R287-Q297 VanDerWaalsContact CZ-OE1 3.31Å
298G94.2Very high91.9Very high0 Ų036.3 Ų36.30%017%0.173CC..EExtended strand (participates in β ladder)trans-146.6149.7172.200000112.6R219 V286 F300R219-G298 WeakPolarHBondContact O-CA 3.36Å; V286-G298 PolarHBondContact N-O 3.17Å; V286-G298 PolarHBondContact O-N 2.98Å; G298-F300 WeakPolarHBondContact O-CD2 3.06Å
299T95Very high91.9Very high9 Ų936.3 Ų36.36%0.05517%0.173CC..EExtended strand (participates in β ladder)trans-97.8132.8176.3-52.20000110.2R219R219-T299 WeakPolarHBondContact CD-O 3.44Å; R219-T299 PolarHBondContact NH1-O 3.4Å; R219-T299 PolarHBondContact O-N 3.16Å
300F95.6Very high91.9Very high1 Ų130 Ų300%0.00415%0.149CC..EExtended strand (participates in β ladder)trans-130.8161.6-176.4-65.8-96.1000111.8Y283 A284 V286 G298 L309 F312 L342Y283-F300 CarbonylContact C-O 3.59Å; Y283-F300 WeakPolarHBondContact CA-O 3.39Å; A284-F300 PolarHBondContact N-O 3.34Å; A284-F300 PolarHBondContact O-N 3.38Å; V286-F300 HydrophobicContact CB-CD2 4.02Å; V286-F300 HydrophobicContact CB-CE2 4.03Å; V286-F300 HydrophobicContact CG2-CD2 3.84Å; V286-F300 HydrophobicContact CG2-CE2 4.29Å; G298-F300 WeakPolarHBondContact O-CD2 3.06Å; F300-L309 HydrophobicContact CE1-CB 4.23Å; F300-L309 HydrophobicContact CE1-CD1 4.3Å; F300-L309 HydrophobicContact CE2-CD1 3.91Å; F300-L309 HydrophobicContact CZ-CB 4.43Å; F300-L309 HydrophobicContact CZ-CD1 3.67Å; F300-F312 HydrophobicContact CE1-CB 4.07Å; F300-F312 HydrophobicContact CE1-CG 4.31Å; F300-F312 HydrophobicContact CE2-CD1 4.22Å; F300-F312 HydrophobicContact CE2-CE1 4.4Å; F300-F312 HydrophobicContact CZ-CB 3.76Å; F300-F312 AromaticContact CZ-CD1 3.6Å; F300-F312 HydrophobicContact CZ-CD1 3.6Å; F300-F312 HydrophobicContact CZ-CD2 4.19Å; F300-F312 HydrophobicContact CZ-CE1 4.2Å; F300-F312 AromaticContact CZ-CG 3.58Å; F300-F312 HydrophobicContact CZ-CG 3.58Å; F300-L342 HydrophobicContact CB-CD1 3.44Å; F300-L342 VanDerWaalsContact CB-CD1 3.44Å; F300-L342 HydrophobicContact CD1-CD1 4.34Å; F300-L342 HydrophobicContact CG-CD1 3.93Å
301Y94.3Very high92Very high75 Ų7536.1 Ų36.129%0.29417%0.172SC..EExtended strand (participates in β ladder)trans-75141.2163.4-68.3-75.5000109.6F70 L217 Y283 R303 E304F70-Y301 HydrophobicContact CE1-CE1 4.49Å; F70-Y301 WeakPolarHBondContact CE1-OH 3.3Å; L217-Y301 HydrophobicContact CB-CD2 4.14Å; L217-Y301 HydrophobicContact CB-CE2 3.42Å; L217-Y301 VanDerWaalsContact CB-CE2 3.42Å; L217-Y301 HydrophobicContact CD2-CD1 4.44Å; L217-Y301 HydrophobicContact CD2-CD2 3.79Å; L217-Y301 HydrophobicContact CD2-CE2 3.89Å; L217-Y301 HydrophobicContact CD2-CG 4.1Å; L217-Y301 HydrophobicContact CG-CE2 4.21Å; Y283-Y301 AromaticContact CD1-CD1 3.89Å; Y283-Y301 HydrophobicContact CD1-CD1 3.89Å; Y283-Y301 HydrophobicContact CD1-CE1 4.17Å; Y283-Y301 AromaticContact CE1-CD1 3.65Å; Y283-Y301 HydrophobicContact CE1-CD1 3.65Å; Y283-Y301 AromaticContact CE1-CE1 3.49Å; Y283-Y301 HydrophobicContact CE1-CE1 3.49Å; Y283-Y301 VanDerWaalsContact CE1-CE1 3.49Å; Y301-R303 PolarHBondContact O-N 3.45Å; Y301-R303 VanDerWaalsContact O-N 3.12Å; Y301-E304 PolarHBondContact N-OE2 3.43Å; Y301-E304 VanDerWaalsContact N-OE2 3.15Å; Y301-E304 WeakPolarHBondContact O-CB 3.33Å; Y301-E304 PolarHBondContact O-N 2.94Å
302A93.2Very high92.3Very high0 Ų032.7 Ų32.70%015%0.149CC..THydrogen-bonded Turntrans-60-27.1178.200000112.6Y281 T282 N343 V348Y281-A302 VanDerWaalsContact O-CB 3.26Å; Y281-A302 WeakPolarHBondContact O-CB 3.47Å; T282-A302 PolarHBondContact O-N 3.07Å; A302-N343 HydrophobicContact CB-CB 4.35Å; A302-N343 VanDerWaalsContact O-CB 3.28Å; A302-N343 WeakPolarHBondContact O-CB 3.36Å; A302-N343 VanDerWaalsContact O-CG 3.25Å; A302-N343 PolarHBondContact O-N 2.77Å; A302-N343 PolarHBondContact O-OD1 3.07Å; A302-V348 HydrophobicContact CB-CG1 3.97Å; A302-V348 HydrophobicContact CB-CG2 4.05Å
303R91.6Very high92.7Very high161 Ų16130.1 Ų30.161%0.60814%0.135SC*.THydrogen-bonded Turntrans-97.312179.2-59.1-171.8-173.3-161.812.8114Y301Y301-R303 PolarHBondContact O-N 3.45Å; Y301-R303 VanDerWaalsContact O-N 3.12Å
304E92.5Very high93.1Very high29 Ų2933 Ų3314%0.13614%0.141CC..  trans-75.5145.7179.7-153.9168.2164.600111R219 Y301 A308 A341 L342R219-E304 IonicContact CZ-OE1 3.27Å; R219-E304 VanDerWaalsContact CZ-OE1 3.28Å; R219-E304 IonicContact CZ-OE2 3.2Å; R219-E304 IonicContact NH1-OE1 2.68Å; R219-E304 PolarHBondContact NH1-OE1 3Å; R219-E304 IonicContact NH1-OE2 2.62Å; R219-E304 PolarHBondContact NH1-OE2 3.17Å; R219-E304 IonicContact NH2-OE1 3.18Å; R219-E304 PolarHBondContact NH2-OE1 3.01Å; R219-E304 IonicContact NH2-OE2 3.58Å; R219-E304 PolarHBondContact NH2-OE2 3.19Å; Y301-E304 PolarHBondContact N-OE2 3.43Å; Y301-E304 VanDerWaalsContact N-OE2 3.15Å; Y301-E304 WeakPolarHBondContact O-CB 3.33Å; Y301-E304 PolarHBondContact O-N 2.94Å; E304-A308 HydrophobicContact CG-CB 3.86Å; E304-A308 WeakPolarHBondContact OE1-CB 3.11Å; E304-A341 CarbonylContact O-C 3.56Å; E304-A341 VanDerWaalsContact O-CA 3.25Å; E304-A341 WeakPolarHBondContact O-CA 3.38Å; E304-L342 HydrophobicContact CB-CD1 4.38Å; E304-L342 PolarHBondContact O-N 2.97Å
305K93.6Very high93.3Very high121 Ų12138.2 Ų38.253%0.52617%0.165SC..BIsolated β-bridgetrans-68.9146.5178.3-64.8-176.5176.9-176.90111.1S307 A308 L340K305-S307 PolarHBondContact O-N 3.24Å; K305-A308 WeakPolarHBondContact O-CB 3.48Å; K305-A308 PolarHBondContact O-N 2.86Å; K305-L340 WeakPolarHBondContact CA-O 3.42Å
306L92.6Very high93.3Very high1 Ų137.2 Ų37.21%0.00516%0.16CC..Hα-helixtrans-52.5-38172.3-76.7174.5000112.7A308 L309 F310 L334 L340 L342 L347L306-A308 PolarHBondContact O-N 3.46Å; L306-L309 HydrophobicContact CD2-CD2 4.44Å; L306-L309 WeakPolarHBondContact O-CA 3.44Å; L306-L309 WeakPolarHBondContact O-CB 3.17Å; L306-L309 PolarHBondContact O-N 2.87Å; L306-F310 HydrophobicContact CB-CD2 4.47Å; L306-F310 HydrophobicContact CB-CE2 4.47Å; L306-F310 WeakPolarHBondContact O-CD2 3.33Å; L306-F310 PolarHBondContact O-N 3.25Å; L306-L334 HydrophobicContact CD2-CD1 4.2Å; L306-L334 HydrophobicContact CD2-CD2 4.41Å; L306-L340 HydrophobicContact CD1-CB 4.26Å; L306-L340 PolarHBondContact N-O 3.4Å; L306-L342 HydrophobicContact CD2-CD2 3.91Å; L306-L347 HydrophobicContact CD2-CD1 3.92Å
307S93.1Very high93.1Very high34 Ų3437.3 Ų37.324%0.23816%0.16CC..Hα-helixtrans-51.8-32.5176.864.70000113.8K305 R311K305-S307 PolarHBondContact O-N 3.24Å; S307-R311 WeakPolarHBondContact O-CB 3.44Å; S307-R311 PolarHBondContact O-N 3.42Å
308A92.9Very high92.9Very high11 Ų1141.4 Ų41.49%0.09118%0.179CC..Hα-helixtrans-74.1-33.8178.500000112.5E304 K305 L306 F312E304-A308 HydrophobicContact CG-CB 3.86Å; E304-A308 WeakPolarHBondContact OE1-CB 3.11Å; K305-A308 WeakPolarHBondContact O-CB 3.48Å; K305-A308 PolarHBondContact O-N 2.86Å; L306-A308 PolarHBondContact O-N 3.46Å; A308-F312 WeakPolarHBondContact O-CB 3.42Å; A308-F312 PolarHBondContact O-N 3.01Å
309L93.6Very high92.4Very high1 Ų143.6 Ų43.61%0.00519%0.191CC..Hα-helixtrans-66.5-45.1171.717167.3000110.9V286 F300 L306 R311 F312 V313 L326 L342 L353V286-L309 HydrophobicContact CB-CD1 4.28Å; V286-L309 HydrophobicContact CG1-CD1 3.77Å; V286-L309 HydrophobicContact CG1-CD2 4.36Å; F300-L309 HydrophobicContact CE1-CB 4.23Å; F300-L309 HydrophobicContact CE1-CD1 4.3Å; F300-L309 HydrophobicContact CE2-CD1 3.91Å; F300-L309 HydrophobicContact CZ-CB 4.43Å; F300-L309 HydrophobicContact CZ-CD1 3.67Å; L306-L309 HydrophobicContact CD2-CD2 4.44Å; L306-L309 WeakPolarHBondContact O-CA 3.44Å; L306-L309 WeakPolarHBondContact O-CB 3.17Å; L306-L309 PolarHBondContact O-N 2.87Å; L309-R311 PolarHBondContact O-N 3.34Å; L309-F312 WeakPolarHBondContact O-CB 3.35Å; L309-F312 PolarHBondContact O-N 3.45Å; L309-V313 HydrophobicContact CD1-CG2 4.41Å; L309-V313 WeakPolarHBondContact O-CG2 3.44Å; L309-V313 PolarHBondContact O-N 3.35Å; L309-L326 HydrophobicContact CD2-CD1 4.22Å; L309-L326 HydrophobicContact CG-CD1 4.18Å; L309-L342 HydrophobicContact CD2-CD2 4.13Å; L309-L353 HydrophobicContact CD2-CD1 3.47Å; L309-L353 VanDerWaalsContact CD2-CD1 3.47Å; L309-L353 HydrophobicContact CG-CD1 4.49Å
310F93.9Very high91.9Very high5 Ų546.6 Ų46.62%0.02221%0.207CC..Hα-helixtrans-59.7-45.4174.9-81.8-87.9000111.5L306 F312 V313 R314 F324 L326 L334 E336L306-F310 HydrophobicContact CB-CD2 4.47Å; L306-F310 HydrophobicContact CB-CE2 4.47Å; L306-F310 WeakPolarHBondContact O-CD2 3.33Å; L306-F310 PolarHBondContact O-N 3.25Å; F310-F312 PolarHBondContact O-N 2.86Å; F310-V313 PolarHBondContact O-N 3.16Å; F310-R314 VanDerWaalsContact O-CB 3.29Å; F310-R314 WeakPolarHBondContact O-CB 3.47Å; F310-R314 PolarHBondContact O-N 3.02Å; F310-F324 HydrophobicContact CB-CZ 4.48Å; F310-F324 HydrophobicContact CD1-CD2 4.32Å; F310-F324 AromaticContact CD1-CE2 3.49Å; F310-F324 HydrophobicContact CD1-CE2 3.49Å; F310-F324 VanDerWaalsContact CD1-CE2 3.49Å; F310-F324 AromaticContact CD1-CZ 3.78Å; F310-F324 HydrophobicContact CD1-CZ 3.78Å; F310-F324 HydrophobicContact CE1-CD2 4.38Å; F310-F324 AromaticContact CE1-CE2 3.92Å; F310-F324 HydrophobicContact CE1-CE2 3.92Å; F310-L326 HydrophobicContact CD1-CD1 4.06Å; F310-L326 HydrophobicContact CD1-CG 4.4Å; F310-L326 HydrophobicContact CD2-CD1 4.46Å; F310-L326 HydrophobicContact CE1-CB 4.26Å; F310-L326 HydrophobicContact CE1-CD1 3.89Å; F310-L326 HydrophobicContact CE1-CG 3.87Å; F310-L326 HydrophobicContact CE2-CD1 4.3Å; F310-L326 HydrophobicContact CG-CD1 4.33Å; F310-L326 HydrophobicContact CZ-CB 4.09Å; F310-L326 HydrophobicContact CZ-CD1 4.01Å; F310-L326 HydrophobicContact CZ-CG 4.14Å; F310-L334 HydrophobicContact CE2-CB 4.2Å; F310-L334 HydrophobicContact CZ-CB 4.11Å; F310-L334 WeakPolarHBondContact CZ-O 3.46Å; F310-E336 HydrophobicContact CB-CB 4.49Å; F310-E336 HydrophobicContact CB-CG 3.88Å; F310-E336 HydrophobicContact CD1-CB 4.12Å; F310-E336 HydrophobicContact CD1-CG 4.37Å; F310-E336 HydrophobicContact CD2-CB 3.86Å; F310-E336 HydrophobicContact CD2-CG 4.02Å; F310-E336 HydrophobicContact CE1-CB 4.32Å; F310-E336 HydrophobicContact CE2-CB 4.06Å; F310-E336 HydrophobicContact CG-CB 3.9Å; F310-E336 HydrophobicContact CG-CG 3.84Å; F310-E336 HydrophobicContact CZ-CB 4.3Å
311R93.2Very high91.4Very high133 Ų13355 Ų5550%0.50224%0.238SC..Hα-helixtrans-57.6-47173.6-172.5-173.4-58.8109.33.8112.1S307 L309 V313 R314 E315S307-R311 WeakPolarHBondContact O-CB 3.44Å; S307-R311 PolarHBondContact O-N 3.42Å; L309-R311 PolarHBondContact O-N 3.34Å; R311-V313 VanDerWaalsContact C-N 3.35Å; R311-V313 PolarHBondContact O-N 2.96Å; R311-R314 WeakPolarHBondContact O-CB 3.48Å; R311-R314 PolarHBondContact O-N 3.4Å; R311-E315 WeakPolarHBondContact CD-OE1 3.41Å; R311-E315 HydrophobicContact CG-CG 4.41Å; R311-E315 WeakPolarHBondContact CG-OE1 3.35Å; R311-E315 WeakPolarHBondContact O-CG 3.3Å; R311-E315 PolarHBondContact O-N 3.15Å
312F93.7Very high91Very high10 Ų1051.8 Ų51.84%0.04423%0.227CC..Hα-helixtrans-58.5-44.6178.6169.9-96.8000112.5R219 L221 L296 F300 A308 L309 F310 A316R219-F312 HydrophobicContact CB-CD2 4.07Å; R219-F312 HydrophobicContact CB-CE2 3.64Å; R219-F312 HydrophobicContact CG-CD2 3.93Å; R219-F312 HydrophobicContact CG-CE2 4.05Å; L221-F312 HydrophobicContact CB-CE2 3.85Å; L221-F312 HydrophobicContact CB-CZ 4Å; L221-F312 HydrophobicContact CD1-CE2 3.74Å; L221-F312 HydrophobicContact CD1-CZ 3.89Å; L221-F312 HydrophobicContact CG-CE2 3.89Å; L221-F312 HydrophobicContact CG-CZ 3.72Å; L296-F312 HydrophobicContact CD2-CD1 4.37Å; L296-F312 HydrophobicContact CD2-CE1 3.86Å; L296-F312 HydrophobicContact CG-CE1 3.94Å; L296-F312 HydrophobicContact CG-CZ 4.39Å; F300-F312 HydrophobicContact CE1-CB 4.07Å; F300-F312 HydrophobicContact CE1-CG 4.31Å; F300-F312 HydrophobicContact CE2-CD1 4.22Å; F300-F312 HydrophobicContact CE2-CE1 4.4Å; F300-F312 HydrophobicContact CZ-CB 3.76Å; F300-F312 AromaticContact CZ-CD1 3.6Å; F300-F312 HydrophobicContact CZ-CD1 3.6Å; F300-F312 HydrophobicContact CZ-CD2 4.19Å; F300-F312 HydrophobicContact CZ-CE1 4.2Å; F300-F312 AromaticContact CZ-CG 3.58Å; F300-F312 HydrophobicContact CZ-CG 3.58Å; A308-F312 WeakPolarHBondContact O-CB 3.42Å; A308-F312 PolarHBondContact O-N 3.01Å; L309-F312 WeakPolarHBondContact O-CB 3.35Å; L309-F312 PolarHBondContact O-N 3.45Å; F310-F312 PolarHBondContact O-N 2.86Å; F312-A316 PolarHBondContact O-N 2.73Å
313V93.1Very high90.8Very high0 Ų054.7 Ų54.70%025%0.245CC..Hα-helixtrans-63.8-48.1175.81750000109.7V288 L296 L309 F310 R311 E315 A316 L317 F324 L326 F355V288-V313 HydrophobicContact CG2-CG2 3.92Å; L296-V313 HydrophobicContact CD2-CG2 4.4Å; L309-V313 HydrophobicContact CD1-CG2 4.41Å; L309-V313 WeakPolarHBondContact O-CG2 3.44Å; L309-V313 PolarHBondContact O-N 3.35Å; F310-V313 PolarHBondContact O-N 3.16Å; R311-V313 VanDerWaalsContact C-N 3.35Å; R311-V313 PolarHBondContact O-N 2.96Å; V313-E315 VanDerWaalsContact C-N 3.32Å; V313-E315 PolarHBondContact O-N 3.28Å; V313-A316 WeakPolarHBondContact O-CA 3.36Å; V313-A316 WeakPolarHBondContact O-CB 3.38Å; V313-A316 PolarHBondContact O-N 2.82Å; V313-L317 HydrophobicContact CG1-CD2 4.41Å; V313-L317 HydrophobicContact CG1-CG 4.45Å; V313-L317 WeakPolarHBondContact O-CG 3.37Å; V313-L317 PolarHBondContact O-N 2.73Å; V313-F324 HydrophobicContact CB-CE2 4.11Å; V313-F324 HydrophobicContact CB-CZ 4.01Å; V313-F324 HydrophobicContact CG1-CD2 4.46Å; V313-F324 HydrophobicContact CG1-CE2 3.8Å; V313-F324 HydrophobicContact CG1-CZ 3.9Å; V313-L326 HydrophobicContact CG2-CD1 4.2Å; V313-F355 HydrophobicContact CG1-CD2 3.88Å; V313-F355 HydrophobicContact CG1-CE2 3.94Å
314R93Very high90.8Very high77 Ų7748 Ų4829%0.29122%0.22SC..Hα-helixtrans-57-42.1-179-166.6-175.9-65.3-108.38.4112.8F310 R311 A316 L317 D320 F324 E336F310-R314 VanDerWaalsContact O-CB 3.29Å; F310-R314 WeakPolarHBondContact O-CB 3.47Å; F310-R314 PolarHBondContact O-N 3.02Å; R311-R314 WeakPolarHBondContact O-CB 3.48Å; R311-R314 PolarHBondContact O-N 3.4Å; R314-A316 PolarHBondContact O-N 3.4Å; R314-L317 PolarHBondContact O-N 3.49Å; R314-D320 WeakPolarHBondContact CD-O 3.33Å; R314-D320 HydrophobicContact CG-CB 3.96Å; R314-D320 WeakPolarHBondContact CG-O 3.23Å; R314-D320 PolarHBondContact NH1-O 3.48Å; R314-F324 HydrophobicContact CB-CE1 4.04Å; R314-F324 HydrophobicContact CB-CZ 4.32Å; R314-F324 HydrophobicContact CG-CE1 4.34Å; R314-E336 IonicContact NH2-OE1 2.69Å; R314-E336 IonicContact NH2-OE2 3.4Å; R314-E336 PolarHBondContact NH2-OE2 2.95Å
315E92.1Very high90.8Very high111 Ų11147.7 Ų47.752%0.51922%0.219SC..Hα-helixtrans-63.5-25.6175.5-74.3171.3-171.900113.1R311 V313 R378R311-E315 WeakPolarHBondContact CD-OE1 3.41Å; R311-E315 HydrophobicContact CG-CG 4.41Å; R311-E315 WeakPolarHBondContact CG-OE1 3.35Å; R311-E315 WeakPolarHBondContact O-CG 3.3Å; R311-E315 PolarHBondContact O-N 3.15Å; V313-E315 VanDerWaalsContact C-N 3.32Å; V313-E315 PolarHBondContact O-N 3.28Å; E315-R378 PolarHBondContact O-NE 2.83Å; E315-R378 PolarHBondContact O-NH2 2.81Å
316A90.9Very high90.8Very high1 Ų142 Ų421%0.00819%0.194CC..Hα-helixtrans-85.5-18.3177.100000113.5L221 L296 F312 V313 R314 L377 R378 L381L221-A316 HydrophobicContact CD1-CB 4.1Å; L296-A316 HydrophobicContact CD1-CB 4.14Å; L296-A316 HydrophobicContact CD2-CB 3.74Å; F312-A316 PolarHBondContact O-N 2.73Å; V313-A316 WeakPolarHBondContact O-CA 3.36Å; V313-A316 WeakPolarHBondContact O-CB 3.38Å; V313-A316 PolarHBondContact O-N 2.82Å; R314-A316 PolarHBondContact O-N 3.4Å; A316-L377 HydrophobicContact CB-CD2 3.91Å; A316-L377 WeakPolarHBondContact O-CA 3.44Å; A316-L377 WeakPolarHBondContact O-CD2 3.24Å; A316-R378 PolarHBondContact O-N 3.37Å; A316-L381 HydrophobicContact CB-CD1 3.71Å
317L90.7Very high90.8Very high1 Ų147.2 Ų47.21%0.00521%0.214CC..BIsolated β-bridgetrans-74.4145.6-179-59176.5000111.3V313 R314 F324 F355 W357 V376 R378V313-L317 HydrophobicContact CG1-CD2 4.41Å; V313-L317 HydrophobicContact CG1-CG 4.45Å; V313-L317 WeakPolarHBondContact O-CG 3.37Å; V313-L317 PolarHBondContact O-N 2.73Å; R314-L317 PolarHBondContact O-N 3.49Å; L317-F324 HydrophobicContact CD1-CD1 3.76Å; L317-F324 HydrophobicContact CD1-CE1 3.84Å; L317-F324 HydrophobicContact CD1-CG 4.48Å; L317-F355 HydrophobicContact CD1-CE2 3.91Å; L317-F355 HydrophobicContact CD1-CZ 4.04Å; L317-F355 HydrophobicContact CD2-CE2 3.9Å; L317-F355 HydrophobicContact CD2-CZ 3.92Å; L317-W357 HydrophobicContact CD1-CH2 3.9Å; L317-W357 HydrophobicContact CD1-CZ3 4.14Å; L317-W357 HydrophobicContact CD2-CH2 4.45Å; L317-V376 WeakPolarHBondContact CA-O 3.32Å; L317-V376 HydrophobicContact CD2-CG1 3.42Å; L317-V376 VanDerWaalsContact CD2-CG1 3.42Å; L317-R378 VanDerWaalsContact O-CG 3.31Å; L317-R378 WeakPolarHBondContact O-CG 3.37Å; L317-R378 PolarHBondContact O-NE 3.29Å; L317-R378 VanDerWaalsContact O-NE 3.09Å
318Q87.4Confident90.8Very high88 Ų8846.3 Ų46.341%0.41121%0.209SC..SBendtrans-68.2-40.9169.5-177.6174-3.400111.2S375 V376Q318-S375 PolarHBondContact OE1-OG 2.98Å; Q318-V376 PolarHBondContact N-O 2.87Å
319N84.4Confident90.3Very high47 Ų4750.6 Ų50.625%0.25124%0.238SC..SBendtrans-108.583.7176.2-63.5-29.8000109.1W321 L322N319-W321 VanDerWaalsContact C-N 3.25Å; N319-W321 PolarHBondContact O-N 3.25Å; N319-L322 HydrophobicContact CB-CD1 3.56Å; N319-L322 HydrophobicContact CB-CG 4.05Å
320D85.3Confident89.7Confident71 Ų7154.2 Ų54.238%0.3828%0.276SS..THydrogen-bonded Turntrans-71.5-16-176.857.12.2000114.6R314 R378R314-D320 WeakPolarHBondContact CD-O 3.33Å; R314-D320 HydrophobicContact CG-CB 3.96Å; R314-D320 WeakPolarHBondContact CG-O 3.23Å; R314-D320 PolarHBondContact NH1-O 3.48Å; D320-R378 IonicContact OD2-NH2 2.59Å
321W84.4Confident89.2Confident177 Ų17756.6 Ų56.667%0.6730%0.302SS*.THydrogen-bonded Turntrans-84.9-17.418057.7-89.2000114N319N319-W321 VanDerWaalsContact C-N 3.25Å; N319-W321 PolarHBondContact O-N 3.25Å
322L85.3Confident88.9Confident9 Ų955.5 Ų55.55%0.04730%0.302CS..SBendtrans-77.9130.3-178.2-72.2172.6000111.4N319 W357 V361 I365N319-L322 HydrophobicContact CB-CD1 3.56Å; N319-L322 HydrophobicContact CB-CG 4.05Å; L322-W357 HydrophobicContact CB-CE3 3.82Å; L322-W357 HydrophobicContact CB-CH2 3.98Å; L322-W357 HydrophobicContact CB-CZ3 3.32Å; L322-W357 HydrophobicContact CD1-CE3 4.47Å; L322-W357 HydrophobicContact CD1-CH2 4.1Å; L322-W357 HydrophobicContact CD1-CZ2 4.48Å; L322-W357 HydrophobicContact CD1-CZ3 4.12Å; L322-W357 HydrophobicContact CG-CZ3 4.37Å; L322-V361 HydrophobicContact CD2-CG1 3.47Å; L322-V361 VanDerWaalsContact CD2-CG1 3.47Å; L322-I365 HydrophobicContact CD1-CD1 4.36Å; L322-I365 HydrophobicContact CD2-CD1 4.18Å
323P89.3Confident88.7Confident60 Ų6060 Ų6039%0.3932%0.321SS..  trans-60.3137.8171.7-23.932000113.1D358 V361P323-D358 HydrophobicContact CB-CB 4.06Å; P323-D358 PolarHBondContact O-N 3.14Å; P323-V361 HydrophobicContact CB-CG2 4.16Å; P323-V361 HydrophobicContact CG-CG2 3.9Å
324F91.4Very high88.6Confident20 Ų2060.3 Ų60.39%0.08832%0.323CS..EExtended strand (participates in β ladder)trans-140.2159.217865.7-91.9000111.7F310 V313 R314 L317 L326 F355 W357F310-F324 HydrophobicContact CB-CZ 4.48Å; F310-F324 HydrophobicContact CD1-CD2 4.32Å; F310-F324 AromaticContact CD1-CE2 3.49Å; F310-F324 HydrophobicContact CD1-CE2 3.49Å; F310-F324 VanDerWaalsContact CD1-CE2 3.49Å; F310-F324 AromaticContact CD1-CZ 3.78Å; F310-F324 HydrophobicContact CD1-CZ 3.78Å; F310-F324 HydrophobicContact CE1-CD2 4.38Å; F310-F324 AromaticContact CE1-CE2 3.92Å; F310-F324 HydrophobicContact CE1-CE2 3.92Å; V313-F324 HydrophobicContact CB-CE2 4.11Å; V313-F324 HydrophobicContact CB-CZ 4.01Å; V313-F324 HydrophobicContact CG1-CD2 4.46Å; V313-F324 HydrophobicContact CG1-CE2 3.8Å; V313-F324 HydrophobicContact CG1-CZ 3.9Å; R314-F324 HydrophobicContact CB-CE1 4.04Å; R314-F324 HydrophobicContact CB-CZ 4.32Å; R314-F324 HydrophobicContact CG-CE1 4.34Å; L317-F324 HydrophobicContact CD1-CD1 3.76Å; L317-F324 HydrophobicContact CD1-CE1 3.84Å; L317-F324 HydrophobicContact CD1-CG 4.48Å; F324-L326 HydrophobicContact CD2-CD2 4.16Å; F324-L326 HydrophobicContact CD2-CG 4.11Å; F324-L326 HydrophobicContact CE2-CD1 4.12Å; F324-L326 HydrophobicContact CE2-CD2 4.11Å; F324-L326 HydrophobicContact CE2-CG 3.88Å; F324-F355 HydrophobicContact CB-CD2 4.23Å; F324-F355 HydrophobicContact CB-CE1 4.37Å; F324-F355 HydrophobicContact CB-CE2 3.41Å; F324-F355 VanDerWaalsContact CB-CE2 3.41Å; F324-F355 HydrophobicContact CB-CZ 3.49Å; F324-F355 VanDerWaalsContact CB-CZ 3.49Å; F324-F355 HydrophobicContact CD1-CE2 4.01Å; F324-F355 HydrophobicContact CD1-CZ 4.5Å; F324-F355 AromaticContact CD2-CD2 3.75Å; F324-F355 HydrophobicContact CD2-CD2 3.75Å; F324-F355 AromaticContact CD2-CE2 3.4Å; F324-F355 HydrophobicContact CD2-CE2 3.4Å; F324-F355 VanDerWaalsContact CD2-CE2 3.4Å; F324-F355 HydrophobicContact CD2-CZ 4.37Å; F324-F355 HydrophobicContact CE2-CD2 4.38Å; F324-F355 HydrophobicContact CE2-CE2 4.13Å; F324-F355 HydrophobicContact CG-CD2 4.13Å; F324-F355 AromaticContact CG-CE2 3.33Å; F324-F355 HydrophobicContact CG-CE2 3.33Å; F324-F355 AromaticContact CG-CZ 3.91Å; F324-F355 HydrophobicContact CG-CZ 3.91Å; F324-W357 HydrophobicContact CB-CE3 3.98Å; F324-W357 HydrophobicContact CB-CZ3 4.22Å
325E92.2Very high88.3Confident24 Ų2461.5 Ų61.511%0.11233%0.332CS..EExtended strand (participates in β ladder)trans-112.6144.1175.7-56-174160.700110.5R327 K333 S356E325-R327 IonicContact OE2-CZ 3.33Å; E325-R327 IonicContact OE2-NE 3.75Å; E325-R327 PolarHBondContact OE2-NE 3.03Å; E325-R327 IonicContact OE2-NH2 3.93Å; E325-R327 PolarHBondContact OE2-NH2 2.94Å; E325-K333 VanDerWaalsContact OE1-CE 3.27Å; E325-K333 WeakPolarHBondContact OE1-CE 3.34Å; E325-K333 IonicContact OE1-NZ 2.76Å; E325-K333 PolarHBondContact OE1-NZ 3.45Å; E325-S356 PolarHBondContact N-O 2.92Å; E325-S356 PolarHBondContact O-N 2.82Å
326L93.6Very high88Confident0 Ų059.6 Ų59.60%032%0.323CS..EExtended strand (participates in β ladder)trans-115128.5168.7-63178.4000109.1V288 L309 F310 V313 F324 L334 F355V288-L326 HydrophobicContact CG1-CD2 3.86Å; L309-L326 HydrophobicContact CD2-CD1 4.22Å; L309-L326 HydrophobicContact CG-CD1 4.18Å; F310-L326 HydrophobicContact CD1-CD1 4.06Å; F310-L326 HydrophobicContact CD1-CG 4.4Å; F310-L326 HydrophobicContact CD2-CD1 4.46Å; F310-L326 HydrophobicContact CE1-CB 4.26Å; F310-L326 HydrophobicContact CE1-CD1 3.89Å; F310-L326 HydrophobicContact CE1-CG 3.87Å; F310-L326 HydrophobicContact CE2-CD1 4.3Å; F310-L326 HydrophobicContact CG-CD1 4.33Å; F310-L326 HydrophobicContact CZ-CB 4.09Å; F310-L326 HydrophobicContact CZ-CD1 4.01Å; F310-L326 HydrophobicContact CZ-CG 4.14Å; V313-L326 HydrophobicContact CG2-CD1 4.2Å; F324-L326 HydrophobicContact CD2-CD2 4.16Å; F324-L326 HydrophobicContact CD2-CG 4.11Å; F324-L326 HydrophobicContact CE2-CD1 4.12Å; F324-L326 HydrophobicContact CE2-CD2 4.11Å; F324-L326 HydrophobicContact CE2-CG 3.88Å; L326-L334 HydrophobicContact CB-CB 4.47Å; L326-L334 HydrophobicContact CB-CD1 4.21Å; L326-L334 WeakPolarHBondContact O-CB 3.37Å; L326-L334 PolarHBondContact O-N 3.47Å; L326-F355 HydrophobicContact CD2-CB 4.17Å; L326-F355 HydrophobicContact CD2-CD2 3.94Å
327R93.3Very high87.3Confident112 Ų11267.2 Ų67.242%0.42336%0.364SS..EExtended strand (participates in β ladder)trans-116.3132.2178.2-60.6-177-173.9178.21.6110.7E325 Q332 L353 T354E325-R327 IonicContact OE2-CZ 3.33Å; E325-R327 IonicContact OE2-NE 3.75Å; E325-R327 PolarHBondContact OE2-NE 3.03Å; E325-R327 IonicContact OE2-NH2 3.93Å; E325-R327 PolarHBondContact OE2-NH2 2.94Å; R327-Q332 CarbonylContact C-O 3.55Å; R327-Q332 WeakPolarHBondContact CA-O 3.28Å; R327-L353 CarbonylContact O-C 3.54Å; R327-L353 VanDerWaalsContact O-CA 3.29Å; R327-L353 WeakPolarHBondContact O-CA 3.48Å; R327-T354 PolarHBondContact N-O 3.42Å; R327-T354 PolarHBondContact O-N 3.4Å
328A92.2Very high86.5Confident15 Ų1571.1 Ų71.112%0.12438%0.382CS..EExtended strand (participates in β ladder)trans-73.4164.8172.700000111.5G330 G331 Q332 L347 L353A328-G330 PolarHBondContact O-N 3.06Å; A328-G331 PolarHBondContact O-N 3.42Å; A328-Q332 HydrophobicContact CB-CB 4.46Å; A328-Q332 PolarHBondContact N-O 3.27Å; A328-L347 HydrophobicContact CB-CD2 4.22Å; A328-L353 HydrophobicContact CB-CD2 4.06Å
329S84.2Confident86.3Confident100 Ų10070.8 Ų70.870%0.69939%0.394SS*.THydrogen-bonded Turntrans-53.3-25.5-179.1-55.30000114.9G331 L352S329-G331 VanDerWaalsContact C-N 3.32Å; S329-L352 PolarHBondContact OG-O 2.96Å; S329-L352 VanDerWaalsContact OG-O 3.1Å
330G81Confident86.6Confident78 Ų7871.6 Ų71.680%0.80440%0.398SS*.THydrogen-bonded Turntrans-84.65.8175.800000115.3A328 Q332A328-G330 PolarHBondContact O-N 3.06Å; G330-Q332 VanDerWaalsContact C-N 3.25Å; G330-Q332 PolarHBondContact O-N 3.41Å
331G82.7Confident86.9Confident55 Ų5568.7 Ų68.757%0.56738%0.384SS*.SBendtrans81.4-3.1-175.900000114.6A328 S329 K333A328-G331 PolarHBondContact O-N 3.42Å; S329-G331 VanDerWaalsContact C-N 3.32Å; G331-K333 PolarHBondContact O-N 2.99Å
332Q86.6Confident87.2Confident110 Ų11060.3 Ų60.351%0.51435%0.352SS..PPolyproline II helixtrans-61.8120.2174.6-178.2179.90.300110.1R327 A328 G330R327-Q332 CarbonylContact C-O 3.55Å; R327-Q332 WeakPolarHBondContact CA-O 3.28Å; A328-Q332 HydrophobicContact CB-CB 4.46Å; A328-Q332 PolarHBondContact N-O 3.27Å; G330-Q332 VanDerWaalsContact C-N 3.25Å; G330-Q332 PolarHBondContact O-N 3.41Å
333K90.5Very high87.5Confident103 Ų10361 Ų6145%0.44836%0.356SS..EExtended strand (participates in β ladder)trans-72.5129.3170.2-178.8174.9170.2175.70108.8E325 G331E325-K333 VanDerWaalsContact OE1-CE 3.27Å; E325-K333 WeakPolarHBondContact OE1-CE 3.34Å; E325-K333 IonicContact OE1-NZ 2.76Å; E325-K333 PolarHBondContact OE1-NZ 3.45Å; G331-K333 PolarHBondContact O-N 2.99Å
334L90.4Very high87.4Confident7 Ų763.4 Ų63.44%0.03736%0.362CS..EExtended strand (participates in β ladder)trans-88.3136.5174.3-59175.1000108.9L306 F310 L326 L347 L353L306-L334 HydrophobicContact CD2-CD1 4.2Å; L306-L334 HydrophobicContact CD2-CD2 4.41Å; F310-L334 HydrophobicContact CE2-CB 4.2Å; F310-L334 HydrophobicContact CZ-CB 4.11Å; F310-L334 WeakPolarHBondContact CZ-O 3.46Å; L326-L334 HydrophobicContact CB-CB 4.47Å; L326-L334 HydrophobicContact CB-CD1 4.21Å; L326-L334 WeakPolarHBondContact O-CB 3.37Å; L326-L334 PolarHBondContact O-N 3.47Å; L334-L347 HydrophobicContact CD1-CD1 3.87Å; L334-L347 HydrophobicContact CD2-CD1 4.33Å; L334-L353 HydrophobicContact CD1-CD1 3.94Å; L334-L353 HydrophobicContact CD1-CD2 3.88Å
335E87.4Confident87.3Confident103 Ų10363.3 Ų63.348%0.48136%0.364SS..  trans-104.7131.3178-62.8-16817600110.5N337 E338E335-N337 VanDerWaalsContact C-N 3.32Å; E335-N337 PolarHBondContact O-N 3.5Å; E335-E338 HydrophobicContact CB-CG 3.98Å
336E84.6Confident87Confident71 Ų7165 Ų6533%0.33239%0.388SS..THydrogen-bonded Turntrans-69-31.3-178.3-176.3171.3-166.900112.5F310 R314 E338F310-E336 HydrophobicContact CB-CB 4.49Å; F310-E336 HydrophobicContact CB-CG 3.88Å; F310-E336 HydrophobicContact CD1-CB 4.12Å; F310-E336 HydrophobicContact CD1-CG 4.37Å; F310-E336 HydrophobicContact CD2-CB 3.86Å; F310-E336 HydrophobicContact CD2-CG 4.02Å; F310-E336 HydrophobicContact CE1-CB 4.32Å; F310-E336 HydrophobicContact CE2-CB 4.06Å; F310-E336 HydrophobicContact CG-CB 3.9Å; F310-E336 HydrophobicContact CG-CG 3.84Å; F310-E336 HydrophobicContact CZ-CB 4.3Å; R314-E336 IonicContact NH2-OE1 2.69Å; R314-E336 IonicContact NH2-OE2 3.4Å; R314-E336 PolarHBondContact NH2-OE2 2.95Å; E336-E338 VanDerWaalsContact C-N 3.32Å; E336-E338 PolarHBondContact O-N 3Å
337N76Confident86.9Confident160 Ų16065.4 Ų65.486%0.85639%0.39SS*.THydrogen-bonded Turntrans-79-15-174.1-68.1-29.2000113.7E335E335-N337 VanDerWaalsContact C-N 3.32Å; E335-N337 PolarHBondContact O-N 3.5Å
338E75.2Confident86.8Confident84 Ų8461.4 Ų61.439%0.39338%0.378SS..SBendtrans-76.3128.5178.6-68.5-167.5145.100110.1E335 E336 L340E335-E338 HydrophobicContact CB-CG 3.98Å; E336-E338 VanDerWaalsContact C-N 3.32Å; E336-E338 PolarHBondContact O-N 3Å; E338-L340 HydrophobicContact CB-CB 4.49Å; E338-L340 HydrophobicContact CB-CD1 4.19Å; E338-L340 HydrophobicContact CB-CG 4.05Å; E338-L340 PolarHBondContact O-N 3.38Å; E338-L340 WeakPolarHBondContact OE2-CD1 3.49Å
339A82.8Confident86.7Confident81 Ų8163.5 Ų63.567%0.66939%0.39SS*.  trans-73.520.717800000113.4
340L89.8Confident87.1Confident64 Ų6462.3 Ų62.334%0.33538%0.382SS..  trans-72.7144.9-177.9-65.1177.7000111.5K305 L306 E338K305-L340 WeakPolarHBondContact CA-O 3.42Å; L306-L340 HydrophobicContact CD1-CB 4.26Å; L306-L340 PolarHBondContact N-O 3.4Å; E338-L340 HydrophobicContact CB-CB 4.49Å; E338-L340 HydrophobicContact CB-CD1 4.19Å; E338-L340 HydrophobicContact CB-CG 4.05Å; E338-L340 PolarHBondContact O-N 3.38Å; E338-L340 WeakPolarHBondContact OE2-CD1 3.49Å
341A91.6Very high87.7Confident10 Ų1059.2 Ų59.28%0.08335%0.349CS..BIsolated β-bridgetrans-89.7156.6175.300000112.5E304 N343 E344 C345E304-A341 CarbonylContact O-C 3.56Å; E304-A341 VanDerWaalsContact O-CA 3.25Å; E304-A341 WeakPolarHBondContact O-CA 3.38Å; A341-N343 VanDerWaalsContact C-N 3.27Å; A341-N343 WeakPolarHBondContact CB-OD1 3.43Å; A341-N343 PolarHBondContact O-N 3.49Å; A341-E344 HydrophobicContact CB-CG 4.25Å; A341-E344 PolarHBondContact N-OE2 3.03Å; A341-E344 WeakPolarHBondContact O-CB 3.35Å; A341-E344 PolarHBondContact O-N 2.94Å; A341-C345 PolarHBondContact O-N 3.17Å; A341-C345 VanDerWaalsContact O-N 3.11Å; A341-C345 PolarHBondContact O-SG 2.98Å
342L91.5Very high88.2Confident0 Ų060.1 Ų60.10%034%0.34CS..THydrogen-bonded Turntrans-55.6-38.8179.5-67.1177.4000113.2A284 V286 F300 E304 L306 L309 C345 G346 L347 V348A284-L342 HydrophobicContact CB-CD1 4.3Å; V286-L342 HydrophobicContact CG2-CD1 4.44Å; F300-L342 HydrophobicContact CB-CD1 3.44Å; F300-L342 VanDerWaalsContact CB-CD1 3.44Å; F300-L342 HydrophobicContact CD1-CD1 4.34Å; F300-L342 HydrophobicContact CG-CD1 3.93Å; E304-L342 HydrophobicContact CB-CD1 4.38Å; E304-L342 PolarHBondContact O-N 2.97Å; L306-L342 HydrophobicContact CD2-CD2 3.91Å; L309-L342 HydrophobicContact CD2-CD2 4.13Å; L342-C345 PolarHBondContact O-N 3.49Å; L342-G346 PolarHBondContact O-N 3.35Å; L342-L347 HydrophobicContact CB-CB 4.33Å; L342-L347 HydrophobicContact CD2-CB 4.26Å; L342-L347 HydrophobicContact CD2-CD1 3.69Å; L342-L347 WeakPolarHBondContact O-CB 3.5Å; L342-L347 PolarHBondContact O-N 2.8Å; L342-V348 HydrophobicContact CB-CG2 4.15Å
343N90.8Very high88.6Confident23 Ų2354.9 Ų54.912%0.12332%0.316CS..THydrogen-bonded Turntrans-69.6-30.4177.663.5-17.4000113.5L278 A302 A341 G346 V348L278-N343 HydrophobicContact CD2-CB 4.06Å; L278-N343 PolarHBondContact O-ND2 3.49Å; A302-N343 HydrophobicContact CB-CB 4.35Å; A302-N343 VanDerWaalsContact O-CB 3.28Å; A302-N343 WeakPolarHBondContact O-CB 3.36Å; A302-N343 VanDerWaalsContact O-CG 3.25Å; A302-N343 PolarHBondContact O-N 2.77Å; A302-N343 PolarHBondContact O-OD1 3.07Å; A341-N343 VanDerWaalsContact C-N 3.27Å; A341-N343 WeakPolarHBondContact CB-OD1 3.43Å; A341-N343 PolarHBondContact O-N 3.49Å; N343-G346 PolarHBondContact O-N 3.2Å; N343-V348 VanDerWaalsContact CA-CG2 3.49Å; N343-V348 HydrophobicContact CB-CB 4.5Å; N343-V348 HydrophobicContact CB-CG2 3.87Å
344E88.6Confident88.8Confident112 Ų11253.2 Ų53.252%0.52331%0.314SS..THydrogen-bonded Turntrans-72.7-33.2175.4-65.7168.4172.700110.9L278 A341 G346L278-E344 HydrophobicContact CD2-CG 4.2Å; A341-E344 HydrophobicContact CB-CG 4.25Å; A341-E344 PolarHBondContact N-OE2 3.03Å; A341-E344 WeakPolarHBondContact O-CB 3.35Å; A341-E344 PolarHBondContact O-N 2.94Å; E344-G346 PolarHBondContact O-N 2.95Å
345C88Confident88.9Confident18 Ų1853.1 Ų53.112%0.12231%0.313CS..THydrogen-bonded Turntrans-81.63.9174.2-580000114A341 L342 L347A341-C345 PolarHBondContact O-N 3.17Å; A341-C345 VanDerWaalsContact O-N 3.11Å; A341-C345 PolarHBondContact O-SG 2.98Å; L342-C345 PolarHBondContact O-N 3.49Å; C345-L347 HydrophobicContact CB-CD1 4.02Å; C345-L347 HydrophobicContact CB-CG 3.87Å; C345-L347 PolarHBondContact O-N 3.13Å
346G87.1Confident89.1Confident60 Ų6049.8 Ų49.862%0.61930%0.301SS*.THydrogen-bonded Turntrans68.119.9-178.200000114.5L342 N343 E344 V348L342-G346 PolarHBondContact O-N 3.35Å; N343-G346 PolarHBondContact O-N 3.2Å; E344-G346 PolarHBondContact O-N 2.95Å; G346-V348 PolarHBondContact O-N 2.99Å
347L90.5Very high89.3Confident7 Ų748 Ų484%0.03729%0.292CS..  trans-87.328.6-177.7-57179.3000112.9L306 A328 L334 L342 C345 A351 L353L306-L347 HydrophobicContact CD2-CD1 3.92Å; A328-L347 HydrophobicContact CB-CD2 4.22Å; L334-L347 HydrophobicContact CD1-CD1 3.87Å; L334-L347 HydrophobicContact CD2-CD1 4.33Å; L342-L347 HydrophobicContact CB-CB 4.33Å; L342-L347 HydrophobicContact CD2-CB 4.26Å; L342-L347 HydrophobicContact CD2-CD1 3.69Å; L342-L347 WeakPolarHBondContact O-CB 3.5Å; L342-L347 PolarHBondContact O-N 2.8Å; C345-L347 HydrophobicContact CB-CD1 4.02Å; C345-L347 HydrophobicContact CB-CG 3.87Å; C345-L347 PolarHBondContact O-N 3.13Å; L347-A351 HydrophobicContact CB-CB 3.85Å; L347-A351 HydrophobicContact CD2-CB 3.85Å; L347-A351 HydrophobicContact CG-CB 4.44Å; L347-L353 HydrophobicContact CD1-CD2 4.49Å; L347-L353 HydrophobicContact CD2-CD2 3.79Å
348V90.9Very high89.8Confident28 Ų2842.5 Ų42.517%0.1726%0.263CS..  trans-138.4139.2-169.4-176.60000109.2Y281 A284 A302 L342 N343 G346Y281-V348 HydrophobicContact CD2-CG1 3.72Å; Y281-V348 HydrophobicContact CG-CG1 3.83Å; A284-V348 HydrophobicContact CB-CG2 3.85Å; A302-V348 HydrophobicContact CB-CG1 3.97Å; A302-V348 HydrophobicContact CB-CG2 4.05Å; L342-V348 HydrophobicContact CB-CG2 4.15Å; N343-V348 VanDerWaalsContact CA-CG2 3.49Å; N343-V348 HydrophobicContact CB-CB 4.5Å; N343-V348 HydrophobicContact CB-CG2 3.87Å; G346-V348 PolarHBondContact O-N 2.99Å
349P91Very high90.2Very high60 Ų6041.4 Ų41.439%0.3927%0.267SS..SBendcis-83.2-15.43.733.1-35.5000114.8Y281 A284 L285Y281-P349 HydrophobicContact CD1-CB 3.75Å; Y281-P349 HydrophobicContact CD1-CG 4.35Å; Y281-P349 HydrophobicContact CD2-CB 4.22Å; Y281-P349 HydrophobicContact CE1-CB 3.88Å; Y281-P349 HydrophobicContact CE1-CG 3.97Å; Y281-P349 HydrophobicContact CE2-CB 4.34Å; Y281-P349 HydrophobicContact CE2-CG 4.16Å; Y281-P349 HydrophobicContact CG-CB 3.93Å; A284-P349 CarbonylContact C-O 3.58Å; A284-P349 WeakPolarHBondContact CA-O 3.35Å; L285-P349 PolarHBondContact N-O 3.37Å
350S92.8Very high90.2Very high74 Ų7440.2 Ų40.252%0.51726%0.255SS..EExtended strand (participates in β ladder)trans-140.5137.3178.4-177.30000109.5L285L285-S350 CarbonylContact O-C 3.58Å; L285-S350 VanDerWaalsContact O-CA 3.23Å; L285-S350 WeakPolarHBondContact O-CA 3.29Å
351A93Very high89.7Confident13 Ų1338.1 Ų38.111%0.10724%0.244CC..EExtended strand (participates in β ladder)trans-137.2139.6179.300000111.7L285 R287 L347L285-A351 PolarHBondContact O-N 3.37Å; R287-A351 PolarHBondContact N-O 3.26Å; L347-A351 HydrophobicContact CB-CB 3.85Å; L347-A351 HydrophobicContact CD2-CB 3.85Å; L347-A351 HydrophobicContact CG-CB 4.44Å
352L93.2Very high89.2Confident75 Ų7539.7 Ų39.739%0.39325%0.251SS..EExtended strand (participates in β ladder)trans-105.9122.1168.3-178.265.6000108.5R287 R289 L295 S329R287-L352 HydrophobicContact CB-CD1 3.81Å; R287-L352 CarbonylContact O-C 3.59Å; R287-L352 WeakPolarHBondContact O-CA 3.42Å; R289-L352 HydrophobicContact CB-CD1 4.4Å; L295-L352 HydrophobicContact CD2-CD1 3.86Å; S329-L352 PolarHBondContact OG-O 2.96Å; S329-L352 VanDerWaalsContact OG-O 3.1Å
353L94.6Very high88.7Confident0 Ų045.9 Ų45.90%028%0.28CS..EExtended strand (participates in β ladder)trans-111.6149.9177.7-56-179.6000109.4V286 R287 V288 R289 L309 R327 A328 L334 L347V286-L353 HydrophobicContact CG1-CD1 3.61Å; V286-L353 HydrophobicContact CG1-CG 4.04Å; R287-L353 PolarHBondContact O-N 3.36Å; V288-L353 CarbonylContact C-O 3.57Å; V288-L353 WeakPolarHBondContact CA-O 3.11Å; V288-L353 HydrophobicContact CG2-CB 4.3Å; V288-L353 HydrophobicContact CG2-CD1 4.41Å; R289-L353 PolarHBondContact N-O 2.73Å; L309-L353 HydrophobicContact CD2-CD1 3.47Å; L309-L353 VanDerWaalsContact CD2-CD1 3.47Å; L309-L353 HydrophobicContact CG-CD1 4.49Å; R327-L353 CarbonylContact O-C 3.54Å; R327-L353 VanDerWaalsContact O-CA 3.29Å; R327-L353 WeakPolarHBondContact O-CA 3.48Å; A328-L353 HydrophobicContact CB-CD2 4.06Å; L334-L353 HydrophobicContact CD1-CD1 3.94Å; L334-L353 HydrophobicContact CD1-CD2 3.88Å; L347-L353 HydrophobicContact CD1-CD2 4.49Å; L347-L353 HydrophobicContact CD2-CD2 3.79Å
354T94.5Very high88.3Confident67 Ų6750.2 Ų50.241%0.41130%0.303SS..EExtended strand (participates in β ladder)trans-107.8126.4173-54.90000109.1R327R327-T354 PolarHBondContact N-O 3.42Å; R327-T354 PolarHBondContact O-N 3.4Å
355F93.6Very high87.9Confident5 Ų546.6 Ų46.62%0.02229%0.287CS..EExtended strand (participates in β ladder)trans-88.2137.9174.2177.1-80000110.4V288 R289 L290 P291 V313 L317 F324 L326 W357 V376V288-F355 HydrophobicContact CG1-CB 3.8Å; R289-F355 WeakPolarHBondContact O-CB 3.47Å; R289-F355 PolarHBondContact O-N 3.21Å; L290-F355 HydrophobicContact CD2-CB 3.82Å; L290-F355 HydrophobicContact CD2-CD1 4.09Å; L290-F355 HydrophobicContact CD2-CD2 4.12Å; L290-F355 HydrophobicContact CD2-CG 3.76Å; P291-F355 HydrophobicContact CG-CD1 3.95Å; P291-F355 HydrophobicContact CG-CE1 4.43Å; V313-F355 HydrophobicContact CG1-CD2 3.88Å; V313-F355 HydrophobicContact CG1-CE2 3.94Å; L317-F355 HydrophobicContact CD1-CE2 3.91Å; L317-F355 HydrophobicContact CD1-CZ 4.04Å; L317-F355 HydrophobicContact CD2-CE2 3.9Å; L317-F355 HydrophobicContact CD2-CZ 3.92Å; F324-F355 HydrophobicContact CB-CD2 4.23Å; F324-F355 HydrophobicContact CB-CE1 4.37Å; F324-F355 HydrophobicContact CB-CE2 3.41Å; F324-F355 VanDerWaalsContact CB-CE2 3.41Å; F324-F355 HydrophobicContact CB-CZ 3.49Å; F324-F355 VanDerWaalsContact CB-CZ 3.49Å; F324-F355 HydrophobicContact CD1-CE2 4.01Å; F324-F355 HydrophobicContact CD1-CZ 4.5Å; F324-F355 AromaticContact CD2-CD2 3.75Å; F324-F355 HydrophobicContact CD2-CD2 3.75Å; F324-F355 AromaticContact CD2-CE2 3.4Å; F324-F355 HydrophobicContact CD2-CE2 3.4Å; F324-F355 VanDerWaalsContact CD2-CE2 3.4Å; F324-F355 HydrophobicContact CD2-CZ 4.37Å; F324-F355 HydrophobicContact CE2-CD2 4.38Å; F324-F355 HydrophobicContact CE2-CE2 4.13Å; F324-F355 HydrophobicContact CG-CD2 4.13Å; F324-F355 AromaticContact CG-CE2 3.33Å; F324-F355 HydrophobicContact CG-CE2 3.33Å; F324-F355 AromaticContact CG-CZ 3.91Å; F324-F355 HydrophobicContact CG-CZ 3.91Å; L326-F355 HydrophobicContact CD2-CB 4.17Å; L326-F355 HydrophobicContact CD2-CD2 3.94Å; F355-W357 AromaticContact CE1-CD2 3.77Å; F355-W357 HydrophobicContact CE1-CD2 3.77Å; F355-W357 AromaticContact CE1-CE2 3.71Å; F355-W357 HydrophobicContact CE1-CE3 4.18Å; F355-W357 HydrophobicContact CE1-CG 4.13Å; F355-W357 HydrophobicContact CE1-CH2 4.5Å; F355-W357 HydrophobicContact CE1-CZ2 4.12Å; F355-W357 HydrophobicContact CE1-CZ3 4.5Å; F355-W357 AromaticContact CE1-NE1 3.95Å; F355-W357 AromaticContact CZ-CD2 3.88Å; F355-W357 HydrophobicContact CZ-CD2 3.88Å; F355-W357 AromaticContact CZ-CE2 3.91Å; F355-W357 AromaticContact CZ-CE3 3.81Å; F355-W357 HydrophobicContact CZ-CE3 3.81Å; F355-W357 AromaticContact CZ-CH2 3.89Å; F355-W357 HydrophobicContact CZ-CH2 3.89Å; F355-W357 AromaticContact CZ-CZ2 3.96Å; F355-W357 HydrophobicContact CZ-CZ2 3.96Å; F355-W357 AromaticContact CZ-CZ3 3.79Å; F355-W357 HydrophobicContact CZ-CZ3 3.79Å; F355-V376 HydrophobicContact CE1-CG1 4.05Å; F355-V376 HydrophobicContact CZ-CG1 4.24Å
356S90.6Very high87.6Confident33 Ų3354.2 Ų54.223%0.23131%0.313CS..EExtended strand (participates in β ladder)trans-142.5141.8167.252.30000109.9E325E325-S356 PolarHBondContact N-O 2.92Å; E325-S356 PolarHBondContact O-N 2.82Å
357W89.2Confident87.4Confident34 Ų3455.5 Ų55.513%0.12932%0.318CS..EExtended strand (participates in β ladder)trans-64.2151167.4-64114.4000110.6L317 L322 F324 F355 A359 L362 V376L317-W357 HydrophobicContact CD1-CH2 3.9Å; L317-W357 HydrophobicContact CD1-CZ3 4.14Å; L317-W357 HydrophobicContact CD2-CH2 4.45Å; L322-W357 HydrophobicContact CB-CE3 3.82Å; L322-W357 HydrophobicContact CB-CH2 3.98Å; L322-W357 HydrophobicContact CB-CZ3 3.32Å; L322-W357 HydrophobicContact CD1-CE3 4.47Å; L322-W357 HydrophobicContact CD1-CH2 4.1Å; L322-W357 HydrophobicContact CD1-CZ2 4.48Å; L322-W357 HydrophobicContact CD1-CZ3 4.12Å; L322-W357 HydrophobicContact CG-CZ3 4.37Å; F324-W357 HydrophobicContact CB-CE3 3.98Å; F324-W357 HydrophobicContact CB-CZ3 4.22Å; F355-W357 AromaticContact CE1-CD2 3.77Å; F355-W357 HydrophobicContact CE1-CD2 3.77Å; F355-W357 AromaticContact CE1-CE2 3.71Å; F355-W357 HydrophobicContact CE1-CE3 4.18Å; F355-W357 HydrophobicContact CE1-CG 4.13Å; F355-W357 HydrophobicContact CE1-CH2 4.5Å; F355-W357 HydrophobicContact CE1-CZ2 4.12Å; F355-W357 HydrophobicContact CE1-CZ3 4.5Å; F355-W357 AromaticContact CE1-NE1 3.95Å; F355-W357 AromaticContact CZ-CD2 3.88Å; F355-W357 HydrophobicContact CZ-CD2 3.88Å; F355-W357 AromaticContact CZ-CE2 3.91Å; F355-W357 AromaticContact CZ-CE3 3.81Å; F355-W357 HydrophobicContact CZ-CE3 3.81Å; F355-W357 AromaticContact CZ-CH2 3.89Å; F355-W357 HydrophobicContact CZ-CH2 3.89Å; F355-W357 AromaticContact CZ-CZ2 3.96Å; F355-W357 HydrophobicContact CZ-CZ2 3.96Å; F355-W357 AromaticContact CZ-CZ3 3.79Å; F355-W357 HydrophobicContact CZ-CZ3 3.79Å; W357-A359 PolarHBondContact O-N 2.98Å; W357-L362 HydrophobicContact CB-CD1 3.87Å; W357-L362 HydrophobicContact CB-CD2 3.85Å; W357-L362 HydrophobicContact CB-CG 3.67Å; W357-L362 HydrophobicContact CG-CD2 4.21Å; W357-V376 HydrophobicContact CZ2-CG1 3.86Å; W357-V376 HydrophobicContact CZ2-CG2 4.5Å
358D86.4Confident87Confident45 Ų4559.1 Ų59.124%0.24135%0.349CS..  trans-58.6134.7173-167.6-49.7000109.8P323 S360 V361 L362P323-D358 HydrophobicContact CB-CB 4.06Å; P323-D358 PolarHBondContact O-N 3.14Å; D358-S360 VanDerWaalsContact C-N 3.27Å; D358-S360 VanDerWaalsContact CG-OG 3.3Å; D358-S360 PolarHBondContact O-N 2.92Å; D358-S360 WeakPolarHBondContact OD1-CB 3.44Å; D358-S360 PolarHBondContact OD1-N 2.63Å; D358-S360 PolarHBondContact OD1-OG 3Å; D358-V361 HydrophobicContact CB-CB 4.22Å; D358-V361 HydrophobicContact CB-CG2 3.88Å; D358-V361 PolarHBondContact O-N 3.42Å; D358-L362 PolarHBondContact O-N 3.15Å
359A83.4Confident86Confident60 Ų6061.1 Ų61.150%0.49638%0.375SS..Hα-helixtrans-60-39.3-177.300000111.8W357 V361 L362 E363W357-A359 PolarHBondContact O-N 2.98Å; A359-V361 VanDerWaalsContact C-N 3.33Å; A359-V361 PolarHBondContact O-N 3.22Å; A359-L362 PolarHBondContact O-N 3.35Å; A359-E363 WeakPolarHBondContact O-CG 3.47Å; A359-E363 PolarHBondContact O-N 3.37Å
360S83.5Confident85.1Confident57 Ų5760.7 Ų60.740%0.39938%0.377SS..Hα-helixtrans-61-43.7178.458.20000111.8D358 E363 D364D358-S360 VanDerWaalsContact C-N 3.27Å; D358-S360 VanDerWaalsContact CG-OG 3.3Å; D358-S360 PolarHBondContact O-N 2.92Å; D358-S360 WeakPolarHBondContact OD1-CB 3.44Å; D358-S360 PolarHBondContact OD1-N 2.63Å; D358-S360 PolarHBondContact OD1-OG 3Å; S360-E363 WeakPolarHBondContact O-CB 3.48Å; S360-E363 PolarHBondContact O-N 3.22Å; S360-D364 PolarHBondContact O-N 3.31Å
361V79.8Confident83.9Confident20 Ų2065 Ų6512%0.12139%0.389CS..Hα-helixtrans-67.5-40179.9175.60000111.3L322 P323 D358 A359 E363 D364 I365L322-V361 HydrophobicContact CD2-CG1 3.47Å; L322-V361 VanDerWaalsContact CD2-CG1 3.47Å; P323-V361 HydrophobicContact CB-CG2 4.16Å; P323-V361 HydrophobicContact CG-CG2 3.9Å; D358-V361 HydrophobicContact CB-CB 4.22Å; D358-V361 HydrophobicContact CB-CG2 3.88Å; D358-V361 PolarHBondContact O-N 3.42Å; A359-V361 VanDerWaalsContact C-N 3.33Å; A359-V361 PolarHBondContact O-N 3.22Å; V361-E363 VanDerWaalsContact C-N 3.31Å; V361-E363 PolarHBondContact O-N 3.47Å; V361-D364 PolarHBondContact O-N 2.98Å; V361-I365 HydrophobicContact CG1-CD1 3.91Å; V361-I365 WeakPolarHBondContact O-CB 3.16Å; V361-I365 VanDerWaalsContact O-CG1 3.22Å; V361-I365 WeakPolarHBondContact O-CG1 3.46Å; V361-I365 PolarHBondContact O-N 3.34Å
362L79.4Confident82.7Confident43 Ų4367.5 Ų67.523%0.22540%0.404CS..Hα-helixtrans-64.9-36.5174.6-73.7174.7000112.2W357 D358 A359 R366W357-L362 HydrophobicContact CB-CD1 3.87Å; W357-L362 HydrophobicContact CB-CD2 3.85Å; W357-L362 HydrophobicContact CB-CG 3.67Å; W357-L362 HydrophobicContact CG-CD2 4.21Å; D358-L362 PolarHBondContact O-N 3.15Å; A359-L362 PolarHBondContact O-N 3.35Å; L362-R366 WeakPolarHBondContact O-CB 3.4Å; L362-R366 WeakPolarHBondContact O-CG 3.3Å; L362-R366 PolarHBondContact O-N 3.38Å
363E82.7Confident81.4Confident130 Ų13066.2 Ų66.261%0.60740%0.404SS*.Hα-helixtrans-66.2-44.1174.9-74.1176179.400111.4A359 S360 V361 R366 A367A359-E363 WeakPolarHBondContact O-CG 3.47Å; A359-E363 PolarHBondContact O-N 3.37Å; S360-E363 WeakPolarHBondContact O-CB 3.48Å; S360-E363 PolarHBondContact O-N 3.22Å; V361-E363 VanDerWaalsContact C-N 3.31Å; V361-E363 PolarHBondContact O-N 3.47Å; E363-R366 PolarHBondContact O-N 3.05Å; E363-A367 WeakPolarHBondContact O-CB 3.23Å; E363-A367 PolarHBondContact O-N 3.08Å
364D82.7Confident80.3Confident113 Ų11375.6 Ų75.660%0.60445%0.445SS*.Hα-helixtrans-63.4-43.1177.1-71.6-20.3000112.3S360 V361 R366 A367 A368S360-D364 PolarHBondContact O-N 3.31Å; V361-D364 PolarHBondContact O-N 2.98Å; D364-R366 VanDerWaalsContact C-N 3.34Å; D364-R366 PolarHBondContact O-N 3.19Å; D364-A367 PolarHBondContact O-N 3.49Å; D364-A368 WeakPolarHBondContact O-CB 3.39Å; D364-A368 PolarHBondContact O-N 2.9Å
365I79.2Confident79.5Confident37 Ų3774.3 Ų74.319%0.1944%0.438CS..Hα-helixtrans-62.4-43.2176.5-70.7168.5000110.6L322 V361 A368 G369 A370L322-I365 HydrophobicContact CD1-CD1 4.36Å; L322-I365 HydrophobicContact CD2-CD1 4.18Å; V361-I365 HydrophobicContact CG1-CD1 3.91Å; V361-I365 WeakPolarHBondContact O-CB 3.16Å; V361-I365 VanDerWaalsContact O-CG1 3.22Å; V361-I365 WeakPolarHBondContact O-CG1 3.46Å; V361-I365 PolarHBondContact O-N 3.34Å; I365-A368 PolarHBondContact O-N 2.96Å; I365-G369 PolarHBondContact O-N 2.82Å; I365-A370 HydrophobicContact CG2-CB 4.04Å; I365-A370 WeakPolarHBondContact CG2-O 3.36Å; I365-A370 PolarHBondContact O-N 2.9Å
366R81.6Confident79Confident177 Ų17774.5 Ų74.567%0.66844%0.44SS*.Hα-helixtrans-65.2-40.4175.9-75.1173.6-175.1-1763.5111.6L362 E363 D364 A368 G369L362-R366 WeakPolarHBondContact O-CB 3.4Å; L362-R366 WeakPolarHBondContact O-CG 3.3Å; L362-R366 PolarHBondContact O-N 3.38Å; E363-R366 PolarHBondContact O-N 3.05Å; D364-R366 VanDerWaalsContact C-N 3.34Å; D364-R366 PolarHBondContact O-N 3.19Å; R366-A368 VanDerWaalsContact C-N 3.27Å; R366-A368 PolarHBondContact O-N 3.41Å; R366-G369 PolarHBondContact O-N 3.46Å
367A83Confident78.9Confident88 Ų8873 Ų7373%0.72743%0.429SS*.Hα-helixtrans-64.9-32.5176.200000112.1E363 D364 G369E363-A367 WeakPolarHBondContact O-CB 3.23Å; E363-A367 PolarHBondContact O-N 3.08Å; D364-A367 PolarHBondContact O-N 3.49Å; A367-G369 PolarHBondContact O-N 3.16Å
368A83Confident78.8Confident83 Ų8375.7 Ų75.769%0.68644%0.44SS*.THydrogen-bonded Turntrans-75.2-2.8172.800000113.9D364 I365 R366 A370D364-A368 WeakPolarHBondContact O-CB 3.39Å; D364-A368 PolarHBondContact O-N 2.9Å; I365-A368 PolarHBondContact O-N 2.96Å; R366-A368 VanDerWaalsContact C-N 3.27Å; R366-A368 PolarHBondContact O-N 3.41Å; A368-A370 PolarHBondContact O-N 3.44Å
369G69.8Low78.7Confident69 Ų6977.7 Ų77.771%0.71146%0.455SS*.THydrogen-bonded Turntrans7312.7179.800000114.4I365 R366 A367I365-G369 PolarHBondContact O-N 2.82Å; R366-G369 PolarHBondContact O-N 3.46Å; A367-G369 PolarHBondContact O-N 3.16Å
370A71.6Confident78.8Confident51 Ų5182.2 Ų82.242%0.42147%0.466SS..PPolyproline II helixtrans-89.8136.8175.200000110I365 A368I365-A370 HydrophobicContact CG2-CB 4.04Å; I365-A370 WeakPolarHBondContact CG2-O 3.36Å; I365-A370 PolarHBondContact O-N 2.9Å; A368-A370 PolarHBondContact O-N 3.44Å
371E68Low78.8Confident165 Ų16581.2 Ų81.277%0.77146%0.456SS*.PPolyproline II helixtrans-78.1138.5166.3-71.1-163.5159.600109.4A373E371-A373 PolarHBondContact O-N 3.35Å
372P66.8Low78.8Confident65 Ų6582.7 Ų82.742%0.42246%0.463SS..PPolyproline II helixtrans-57.2138.1171.825.5-32.8000109.2K374P372-K374 PolarHBondContact O-N 3.18Å
373A67Low78.8Confident49 Ų4985 Ų8541%0.40549%0.488SS..PPolyproline II helixtrans-51.9132.3-178.500000110.8E371 S375E371-A373 PolarHBondContact O-N 3.35Å; A373-S375 PolarHBondContact O-N 3.08Å
374K70Confident78.8Confident197 Ų19781.9 Ų81.986%0.85748%0.484SS*.SBendtrans-58.8-29.4-179.6-68.9-178.1179.4177.70112.5P372P372-K374 PolarHBondContact O-N 3.18Å
375S77.4Confident78.6Confident39 Ų3978.9 Ų78.927%0.27347%0.468SS..  trans-110130.1174.8480000110.5Q318 A373Q318-S375 PolarHBondContact OE1-OG 2.98Å; A373-S375 PolarHBondContact O-N 3.08Å
376V84.4Confident78.7Confident10 Ų1081.1 Ų81.16%0.06148%0.478CS..  trans-87.9-33.6176174.40000111.3L290 P291 L317 Q318 F355 W357L290-V376 HydrophobicContact CD2-CG1 4.14Å; P291-V376 HydrophobicContact CG-CG2 4.47Å; L317-V376 WeakPolarHBondContact CA-O 3.32Å; L317-V376 HydrophobicContact CD2-CG1 3.42Å; L317-V376 VanDerWaalsContact CD2-CG1 3.42Å; Q318-V376 PolarHBondContact N-O 2.87Å; F355-V376 HydrophobicContact CE1-CG1 4.05Å; F355-V376 HydrophobicContact CZ-CG1 4.24Å; W357-V376 HydrophobicContact CZ2-CG1 3.86Å; W357-V376 HydrophobicContact CZ2-CG2 4.5Å
377L87.7Confident78.3Confident0 Ų080.9 Ų80.90%048%0.484CS..BIsolated β-bridgetrans-85.2156.3-178.6-68.8173.6000113V223 L290 C294 A316 L381 L382V223-L377 HydrophobicContact CB-CD1 4.42Å; V223-L377 HydrophobicContact CG1-CD1 3.55Å; V223-L377 HydrophobicContact CG2-CD1 3.94Å; L290-L377 HydrophobicContact CD1-CD1 3.53Å; L290-L377 HydrophobicContact CD1-CD2 3.63Å; L290-L377 HydrophobicContact CD1-CG 3.39Å; C294-L377 HydrophobicContact CB-CD1 4.38Å; A316-L377 HydrophobicContact CB-CD2 3.91Å; A316-L377 WeakPolarHBondContact O-CA 3.44Å; A316-L377 WeakPolarHBondContact O-CD2 3.24Å; L377-L381 HydrophobicContact CD2-CD1 4.42Å; L377-L382 HydrophobicContact CB-CD2 3.97Å; L377-L382 HydrophobicContact CB-CG 4.15Å; L377-L382 HydrophobicContact CD1-CD2 4.15Å
378R87.9Confident77.6Confident92 Ų9278.6 Ų78.635%0.34746%0.46SS..  trans-56.8142.3168.9-67.5-179.1-179-170.10.8111.2E315 A316 L317 D320 E380 L381 L382E315-R378 PolarHBondContact O-NE 2.83Å; E315-R378 PolarHBondContact O-NH2 2.81Å; A316-R378 PolarHBondContact O-N 3.37Å; L317-R378 VanDerWaalsContact O-CG 3.31Å; L317-R378 WeakPolarHBondContact O-CG 3.37Å; L317-R378 PolarHBondContact O-NE 3.29Å; L317-R378 VanDerWaalsContact O-NE 3.09Å; D320-R378 IonicContact OD2-NH2 2.59Å; R378-E380 PolarHBondContact O-N 3.15Å; R378-L381 HydrophobicContact CB-CG 4.47Å; R378-L381 PolarHBondContact O-N 3.24Å; R378-L382 PolarHBondContact O-N 3.43Å
379P83.1Confident76.4Confident87 Ų8781.4 Ų81.457%0.56547%0.474SS*.Hα-helixtrans-60.1-32.3-177.223.5-33.9000113.3L381 L382 A383P379-L381 VanDerWaalsContact C-N 3.3Å; P379-L381 PolarHBondContact O-N 2.88Å; P379-L382 PolarHBondContact O-N 3.03Å; P379-A383 PolarHBondContact O-N 3.24Å; P379-A383 VanDerWaalsContact O-N 3.08Å
380E86.7Confident76.8Confident154 Ų15482.1 Ų82.172%0.7246%0.462SS*.Hα-helixtrans-59.8-39.8176-63.5173-175.600112.3R378 A383 A384R378-E380 PolarHBondContact O-N 3.15Å; E380-A383 PolarHBondContact O-N 3.01Å; E380-A384 PolarHBondContact O-N 3.06Å
381L82.1Confident77Confident36 Ų3683.7 Ų83.719%0.18846%0.464CS..Hα-helixtrans-74.9-32.5179-64.2-178.8000112L221 V223 A316 L377 R378 P379 A383 A384L221-L381 HydrophobicContact CD1-CD1 4.29Å; L221-L381 HydrophobicContact CD2-CD1 4.03Å; L221-L381 HydrophobicContact CD2-CD2 3.58Å; L221-L381 HydrophobicContact CD2-CG 4.39Å; V223-L381 HydrophobicContact CG2-CB 4.09Å; A316-L381 HydrophobicContact CB-CD1 3.71Å; L377-L381 HydrophobicContact CD2-CD1 4.42Å; R378-L381 HydrophobicContact CB-CG 4.47Å; R378-L381 PolarHBondContact O-N 3.24Å; P379-L381 VanDerWaalsContact C-N 3.3Å; P379-L381 PolarHBondContact O-N 2.88Å; L381-A383 VanDerWaalsContact C-N 3.3Å; L381-A384 PolarHBondContact O-N 2.69Å
382L80Confident77.5Confident51 Ų5179.2 Ų79.227%0.26745%0.447SS..Hα-helixtrans-66.8-33.6174.6-64.4176000111.9L377 R378 P379 A384 I385L377-L382 HydrophobicContact CB-CD2 3.97Å; L377-L382 HydrophobicContact CB-CG 4.15Å; L377-L382 HydrophobicContact CD1-CD2 4.15Å; R378-L382 PolarHBondContact O-N 3.43Å; P379-L382 PolarHBondContact O-N 3.03Å; L382-A384 VanDerWaalsContact C-N 3.26Å; L382-A384 PolarHBondContact O-N 3.17Å; L382-I385 HydrophobicContact CB-CD1 4.2Å; L382-I385 HydrophobicContact CD2-CD1 3.69Å; L382-I385 WeakPolarHBondContact O-CD1 3.29Å; L382-I385 WeakPolarHBondContact O-CG1 3.47Å; L382-I385 PolarHBondContact O-N 3.27Å
383A79.7Confident78.2Confident91 Ų9180 Ų8075%0.75245%0.449SS*.Hα-helixtrans-68.4-26.5175.600000112.8P379 E380 L381P379-A383 PolarHBondContact O-N 3.24Å; P379-A383 VanDerWaalsContact O-N 3.08Å; E380-A383 PolarHBondContact O-N 3.01Å; L381-A383 VanDerWaalsContact C-N 3.3Å
384A82.2Confident78.9Confident65 Ų6581.9 Ų81.954%0.53745%0.452SS..THydrogen-bonded Turntrans-95.317.3179.500000113.6E380 L381 L382 E386E380-A384 PolarHBondContact O-N 3.06Å; L381-A384 PolarHBondContact O-N 2.69Å; L382-A384 VanDerWaalsContact C-N 3.26Å; L382-A384 PolarHBondContact O-N 3.17Å; A384-E386 PolarHBondContact O-N 3.13Å
385I79.9Confident79.4Confident51 Ų5174.3 Ų74.326%0.26243%0.425SS..PPolyproline II helixtrans-64.4127-178.3-74.8172.3000111.1V223 R225 L382V223-I385 HydrophobicContact CB-CG1 4.1Å; V223-I385 HydrophobicContact CG1-CD1 4.35Å; V223-I385 HydrophobicContact CG1-CG1 3.79Å; V223-I385 WeakPolarHBondContact O-CA 3.36Å; R225-I385 HydrophobicContact CB-CG2 3.83Å; L382-I385 HydrophobicContact CB-CD1 4.2Å; L382-I385 HydrophobicContact CD2-CD1 3.69Å; L382-I385 WeakPolarHBondContact O-CD1 3.29Å; L382-I385 WeakPolarHBondContact O-CG1 3.47Å; L382-I385 PolarHBondContact O-N 3.27Å
386E80.2Confident79.6Confident84 Ų8476.8 Ų76.839%0.39344%0.436SS..EExtended strand (participates in β ladder)trans-91.9144169-66.8175.7-168.100109.6R222 V223 F224 R225 A384R222-E386 IonicContact NH1-OE1 2.6Å; R222-E386 IonicContact NH1-OE2 3.37Å; R222-E386 PolarHBondContact NH1-OE2 3.08Å; V223-E386 PolarHBondContact O-N 3.48Å; F224-E386 VanDerWaalsContact CA-O 3.28Å; F224-E386 WeakPolarHBondContact CA-O 3.05Å; F224-E386 HydrophobicContact CD1-CB 3.73Å; F224-E386 HydrophobicContact CE1-CB 3.81Å; F224-E386 VanDerWaalsContact CE1-OE2 3.25Å; F224-E386 WeakPolarHBondContact CE1-OE2 3.36Å; R225-E386 PolarHBondContact N-O 2.97Å; A384-E386 PolarHBondContact O-N 3.13Å
387Q73.4Confident79.2Confident171 Ų17181.9 Ų81.980%0.79946%0.464SS*.EExtended strand (participates in β ladder)trans-80128.8168.2-75.8-173.4-10.200109.1S389Q387-S389 PolarHBondContact O-N 2.79Å; Q387-S389 VanDerWaalsContact O-N 3.15Å
388L68.7Low78.5Confident41 Ų4188.8 Ų88.822%0.21550%0.503CS..  trans-73.1106.9171.8-153.1105000107.7F224 R225 S227 A230F224-L388 HydrophobicContact CB-CB 4.34Å; F224-L388 HydrophobicContact CB-CD1 3.76Å; F224-L388 HydrophobicContact CD1-CD1 3.85Å; F224-L388 HydrophobicContact CD2-CD1 4.21Å; F224-L388 HydrophobicContact CG-CD1 3.68Å; R225-L388 PolarHBondContact O-N 3.22Å; S227-L388 WeakPolarHBondContact CB-O 3.45Å; A230-L388 HydrophobicContact CB-CD2 4.35Å
389S58.2Low77.6Confident142 Ų14288.5 Ų88.599%0.99352%0.517SS*.  trans-71.3017761.70000112.1Q387Q387-S389 PolarHBondContact O-N 2.79Å; Q387-S389 VanDerWaalsContact O-N 3.15Å

Retrieved 389 of 389 residues in 406 ms (Link to these results)