A0A077ZIS0_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZIS0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 188 aa.

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

Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M63.6Low89.8Confident226 Ų226125.5 Ų125.5100%1.11361%0.61SS**  0110.30-79.6-65.1-170.300107.3Q3M1-Q3 PolarHBondContact O-N 3.38Å; M1-Q3 VanDerWaalsContact O-N 3.16Å
2D86.1Confident90.2Very high144 Ų144125.7 Ų125.777%0.7760%0.599SS**  trans-70109.5179.3-64.1-30.9000109.3L4 P5D2-L4 VanDerWaalsContact C-N 3.31Å; D2-P5 WeakPolarHBondContact O-CD 3.3Å
3Q92.1Very high90.3Very high149 Ų149118.8 Ų118.870%0.69657%0.57SS**  trans-80.7-14.8-179.4-67.3178.7-23.400112.6M1 W6 V7M1-Q3 PolarHBondContact O-N 3.38Å; M1-Q3 VanDerWaalsContact O-N 3.16Å; Q3-W6 PolarHBondContact O-N 3.22Å; Q3-W6 VanDerWaalsContact O-N 3.12Å; Q3-V7 WeakPolarHBondContact O-CG2 3.33Å; Q3-V7 PolarHBondContact O-N 3.2Å
4L94.7Very high90.4Very high118 Ų118113.7 Ų113.762%0.61856%0.557SS**Hα-helixtrans-54.6-44.5-174.7-177.863.8000113.8D2 W6 V7 L8D2-L4 VanDerWaalsContact C-N 3.31Å; L4-W6 VanDerWaalsContact C-N 3.31Å; L4-W6 PolarHBondContact O-N 3.35Å; L4-V7 PolarHBondContact O-N 2.9Å; L4-L8 HydrophobicContact CD1-CD1 4.29Å; L4-L8 HydrophobicContact CD1-CG 4.19Å; L4-L8 HydrophobicContact CG-CD1 4.14Å; L4-L8 HydrophobicContact CG-CG 4.46Å; L4-L8 WeakPolarHBondContact O-CG 3.49Å; L4-L8 PolarHBondContact O-N 2.82Å
5P93.7Very high90.4Very high81 Ų81112.5 Ų112.553%0.52656%0.561SS.*Hα-helixtrans-60.3-39.6177.9-23.835.4000113D2 L8 L9D2-P5 WeakPolarHBondContact O-CD 3.3Å; P5-L8 PolarHBondContact O-N 3.48Å; P5-L9 WeakPolarHBondContact O-CB 3.3Å; P5-L9 PolarHBondContact O-N 3.02Å
6W91.8Very high90.3Very high171 Ų171112.5 Ų112.565%0.64856%0.557SS**Hα-helixtrans-69.5-40.1178.5-67.7108000112.5Q3 L4 L9 R10Q3-W6 PolarHBondContact O-N 3.22Å; Q3-W6 VanDerWaalsContact O-N 3.12Å; L4-W6 VanDerWaalsContact C-N 3.31Å; L4-W6 PolarHBondContact O-N 3.35Å; W6-L9 HydrophobicContact CE3-CD2 4.08Å; W6-L9 HydrophobicContact CZ3-CD2 4.07Å; W6-L9 PolarHBondContact O-N 2.84Å; W6-R10 PolarHBondContact O-N 3.44Å
7V94.2Very high90.1Very high74 Ų74117.1 Ų117.145%0.44858%0.577SS.*Hα-helixtrans-62.6-44.9174.7177.60000110.5Q3 L4 L9 R10 I11Q3-V7 WeakPolarHBondContact O-CG2 3.33Å; Q3-V7 PolarHBondContact O-N 3.2Å; L4-V7 PolarHBondContact O-N 2.9Å; V7-L9 PolarHBondContact O-N 3.4Å; V7-R10 PolarHBondContact O-N 2.8Å; V7-I11 HydrophobicContact CG1-CD1 3.84Å; V7-I11 HydrophobicContact CG1-CG1 4.49Å; V7-I11 WeakPolarHBondContact O-CG1 3.49Å; V7-I11 PolarHBondContact O-N 3Å
8L93.9Very high89.8Confident64 Ų64116 Ų11634%0.33557%0.574SS.*Hα-helixtrans-63.7-40.7177.2-70.1175.7000112.2L4 P5 I11 R12L4-L8 HydrophobicContact CD1-CD1 4.29Å; L4-L8 HydrophobicContact CD1-CG 4.19Å; L4-L8 HydrophobicContact CG-CD1 4.14Å; L4-L8 HydrophobicContact CG-CG 4.46Å; L4-L8 WeakPolarHBondContact O-CG 3.49Å; L4-L8 PolarHBondContact O-N 2.82Å; P5-L8 PolarHBondContact O-N 3.48Å; L8-I11 PolarHBondContact O-N 3.3Å; L8-R12 WeakPolarHBondContact O-CB 3.35Å; L8-R12 VanDerWaalsContact O-CG 3.23Å; L8-R12 WeakPolarHBondContact O-CG 3.39Å; L8-R12 PolarHBondContact O-N 3.3Å
9L92.1Very high89.5Confident49 Ų49111.8 Ų111.826%0.25755%0.553SS.*Hα-helixtrans-58.5-50.3174.7-178.464.4000110.6P5 W6 V7 I11 R12 T13 L32 V34P5-L9 WeakPolarHBondContact O-CB 3.3Å; P5-L9 PolarHBondContact O-N 3.02Å; W6-L9 HydrophobicContact CE3-CD2 4.08Å; W6-L9 HydrophobicContact CZ3-CD2 4.07Å; W6-L9 PolarHBondContact O-N 2.84Å; V7-L9 PolarHBondContact O-N 3.4Å; L9-I11 PolarHBondContact O-N 3.05Å; L9-R12 PolarHBondContact O-N 3.16Å; L9-R12 VanDerWaalsContact O-N 3.1Å; L9-T13 HydrophobicContact CD1-CG2 4.11Å; L9-T13 PolarHBondContact O-N 3.05Å; L9-T13 PolarHBondContact O-OG1 2.91Å; L9-T13 VanDerWaalsContact O-OG1 3.13Å; L9-L32 HydrophobicContact CD1-CD1 4.48Å; L9-V34 HydrophobicContact CD1-CG1 4.26Å; L9-V34 HydrophobicContact CD2-CG1 4.36Å; L9-V34 HydrophobicContact CG-CG1 4.3Å
10R92.5Very high89.3Confident196 Ų196110.5 Ų110.574%0.7456%0.561SS**Hα-helixtrans-59.1-45.4179.4-177.6-180178.5-176.60.6112.6W6 V7 R12 A14W6-R10 PolarHBondContact O-N 3.44Å; V7-R10 PolarHBondContact O-N 2.8Å; R10-R12 PolarHBondContact O-N 2.96Å; R10-A14 WeakPolarHBondContact O-CB 3.47Å; R10-A14 PolarHBondContact O-N 3.1Å
11I93.7Very high89.2Confident109 Ų109106.5 Ų106.556%0.55954%0.542SS*.Hα-helixtrans-62.9-36.7177.6-67.8168.2000110.5V7 L8 L9V7-I11 HydrophobicContact CG1-CD1 3.84Å; V7-I11 HydrophobicContact CG1-CG1 4.49Å; V7-I11 WeakPolarHBondContact O-CG1 3.49Å; V7-I11 PolarHBondContact O-N 3Å; L8-I11 PolarHBondContact O-N 3.3Å; L9-I11 PolarHBondContact O-N 3.05Å
12R93.8Very high90.5Very high127 Ų12796 Ų9648%0.47949%0.491SS..Hα-helixtrans-72.6-38.8-176.6-77.9174.9-176.2145.10.8113.5L8 L9 R10 S22 S23 A24L8-R12 WeakPolarHBondContact O-CB 3.35Å; L8-R12 VanDerWaalsContact O-CG 3.23Å; L8-R12 WeakPolarHBondContact O-CG 3.39Å; L8-R12 PolarHBondContact O-N 3.3Å; L9-R12 PolarHBondContact O-N 3.16Å; L9-R12 VanDerWaalsContact O-N 3.1Å; R10-R12 PolarHBondContact O-N 2.96Å; R12-S22 WeakPolarHBondContact O-CB 3.33Å; R12-S23 VanDerWaalsContact CA-OG 3.26Å; R12-S23 WeakPolarHBondContact CA-OG 3.37Å; R12-S23 PolarHBondContact O-N 3.42Å; R12-S23 PolarHBondContact O-OG 2.96Å; R12-S23 VanDerWaalsContact O-OG 3.05Å; R12-A24 HydrophobicContact CB-CB 4.31Å; R12-A24 WeakPolarHBondContact O-CB 3.22Å; R12-A24 PolarHBondContact O-N 2.9Å
13T92Very high90.8Very high37 Ų3790.8 Ų90.823%0.22747%0.466CS..Hα-helixtrans-89.7-17.5-177.960.50000113.8L9 S22 L32 V34L9-T13 HydrophobicContact CD1-CG2 4.11Å; L9-T13 PolarHBondContact O-N 3.05Å; L9-T13 PolarHBondContact O-OG1 2.91Å; L9-T13 VanDerWaalsContact O-OG1 3.13Å; T13-S22 VanDerWaalsContact O-CB 3.23Å; T13-S22 WeakPolarHBondContact O-CB 3.38Å; T13-L32 HydrophobicContact CG2-CB 3.79Å; T13-L32 HydrophobicContact CG2-CD1 3.97Å; T13-L32 HydrophobicContact CG2-CG 4.48Å; T13-V34 HydrophobicContact CG2-CG1 3.62Å
14A91.9Very high90.8Very high47 Ų4783.9 Ų83.939%0.38843%0.434SS..SBendtrans-60.5125.7173.500000111.2R10 S22R10-A14 WeakPolarHBondContact O-CB 3.47Å; R10-A14 PolarHBondContact O-N 3.1Å; A14-S22 WeakPolarHBondContact O-CA 3.22Å
15P89.5Confident90.7Very high95 Ų9581.4 Ų81.462%0.61742%0.419SS*.EExtended strand (participates in β ladder)trans-69132.6174.528.1-33000110.3
16K88.8Confident90.6Very high113 Ų11382.6 Ų82.649%0.49142%0.421SS..EExtended strand (participates in β ladder)trans-75.6127.7169-71.1-179.6174.6175.10108.6D18 L19 A20 T21K16-D18 VanDerWaalsContact C-N 3.29Å; K16-D18 PolarHBondContact O-N 3.43Å; K16-L19 HydrophobicContact CB-CB 4.36Å; K16-L19 HydrophobicContact CD-CD1 4.15Å; K16-L19 PolarHBondContact O-N 2.82Å; K16-A20 WeakPolarHBondContact O-CA 3.47Å; K16-A20 PolarHBondContact O-N 2.99Å; K16-T21 PolarHBondContact N-O 2.89Å
17Q87.2Confident90.6Very high191 Ų19179.8 Ų79.889%0.89342%0.422SS*.G310 helixtrans-55.9-44.5-178.6-72.4-179.9-27.200111.8L19 A20Q17-L19 VanDerWaalsContact C-N 3.29Å; Q17-L19 PolarHBondContact O-N 2.78Å; Q17-A20 PolarHBondContact O-N 3.45Å
18D84.7Confident90.4Very high97 Ų9784 Ų8452%0.51943%0.431SS..G310 helixtrans-64.2-31.1-177.8-52.9-22.3000113.6K16 S68K16-D18 VanDerWaalsContact C-N 3.29Å; K16-D18 PolarHBondContact O-N 3.43Å; D18-S68 WeakPolarHBondContact OD2-CB 3.5Å; D18-S68 PolarHBondContact OD2-OG 2.83Å
19L84Confident90.1Very high36 Ų3684.1 Ų84.119%0.18845%0.448CS..G310 helixtrans-105.1-8.3-175.3-59.7179.6000113.3K16 Q17 T21 L26 V65 T67K16-L19 HydrophobicContact CB-CB 4.36Å; K16-L19 HydrophobicContact CD-CD1 4.15Å; K16-L19 PolarHBondContact O-N 2.82Å; Q17-L19 VanDerWaalsContact C-N 3.29Å; Q17-L19 PolarHBondContact O-N 2.78Å; L19-T21 PolarHBondContact O-N 2.89Å; L19-L26 HydrophobicContact CD1-CD1 3.94Å; L19-V65 HydrophobicContact CD2-CG1 4.3Å; L19-T67 HydrophobicContact CD2-CG2 3.93Å
20A86.1Confident89.9Confident85 Ų8584.2 Ų84.270%0.70246%0.455SS*.THydrogen-bonded Turntrans46.632.9-168.400000113.3K16 Q17K16-A20 WeakPolarHBondContact O-CA 3.47Å; K16-A20 PolarHBondContact O-N 2.99Å; Q17-A20 PolarHBondContact O-N 3.45Å
21T86.6Confident89.5Confident28 Ų2879 Ų7917%0.17245%0.447CS..EExtended strand (participates in β ladder)trans-152.1149.5-172.9-990000110.8K16 L19 Q25 L26K16-T21 PolarHBondContact N-O 2.89Å; L19-T21 PolarHBondContact O-N 2.89Å; T21-Q25 HydrophobicContact CG2-CB 4.26Å; T21-Q25 HydrophobicContact CG2-CG 4.38Å; T21-L26 HydrophobicContact CG2-CD1 4.22Å; T21-L26 HydrophobicContact CG2-CD2 3.51Å; T21-L26 HydrophobicContact CG2-CG 3.45Å; T21-L26 VanDerWaalsContact CG2-CG 3.45Å
22S91.3Very high89.2Confident6 Ų676.6 Ų76.64%0.04244%0.435CS..EExtended strand (participates in β ladder)trans-85.5155.717875.70000112.2R12 T13 A14 A24 Q25 L26R12-S22 WeakPolarHBondContact O-CB 3.33Å; T13-S22 VanDerWaalsContact O-CB 3.23Å; T13-S22 WeakPolarHBondContact O-CB 3.38Å; A14-S22 WeakPolarHBondContact O-CA 3.22Å; S22-A24 VanDerWaalsContact C-N 3.26Å; S22-A24 PolarHBondContact O-N 3.19Å; S22-Q25 PolarHBondContact O-N 3.05Å; S22-Q25 VanDerWaalsContact OG-CB 3.28Å; S22-Q25 WeakPolarHBondContact OG-CB 3.29Å; S22-Q25 PolarHBondContact OG-N 3.42Å; S22-L26 PolarHBondContact O-N 2.91Å; S22-L26 VanDerWaalsContact O-N 3.09Å
23S92.3Very high88.9Confident33 Ų3375.3 Ų75.323%0.23144%0.441CS..Hα-helixtrans-63.6-33.4177.861.40000112.8R12 L26 V27R12-S23 VanDerWaalsContact CA-OG 3.26Å; R12-S23 WeakPolarHBondContact CA-OG 3.37Å; R12-S23 PolarHBondContact O-N 3.42Å; R12-S23 PolarHBondContact O-OG 2.96Å; R12-S23 VanDerWaalsContact O-OG 3.05Å; S23-L26 PolarHBondContact O-N 3.18Å; S23-V27 WeakPolarHBondContact O-CG2 3.36Å; S23-V27 PolarHBondContact O-N 3.31Å
24A93.3Very high88.6Confident4 Ų475 Ų753%0.03344%0.44CS..Hα-helixtrans-65.9-40.4173.900000112.1R12 S22 L26 V27 Y28 L32R12-A24 HydrophobicContact CB-CB 4.31Å; R12-A24 WeakPolarHBondContact O-CB 3.22Å; R12-A24 PolarHBondContact O-N 2.9Å; S22-A24 VanDerWaalsContact C-N 3.26Å; S22-A24 PolarHBondContact O-N 3.19Å; A24-L26 VanDerWaalsContact C-N 3.34Å; A24-L26 PolarHBondContact O-N 3.16Å; A24-V27 PolarHBondContact O-N 3.27Å; A24-V27 VanDerWaalsContact O-N 3.16Å; A24-Y28 HydrophobicContact CB-CD2 4.14Å; A24-Y28 HydrophobicContact CB-CE2 4.34Å; A24-Y28 WeakPolarHBondContact O-CD2 3.32Å; A24-Y28 PolarHBondContact O-N 3.1Å; A24-L32 HydrophobicContact CB-CB 4.47Å; A24-L32 HydrophobicContact CB-CD1 3.35Å; A24-L32 HydrophobicContact CB-CG 3.66Å
25Q92.2Very high88.1Confident67 Ų6777.7 Ų77.731%0.31345%0.453SS..Hα-helixtrans-66.9-33.8178.3-177.5175.90.500112.7T21 S22 V27 G29 A30T21-Q25 HydrophobicContact CG2-CB 4.26Å; T21-Q25 HydrophobicContact CG2-CG 4.38Å; S22-Q25 PolarHBondContact O-N 3.05Å; S22-Q25 VanDerWaalsContact OG-CB 3.28Å; S22-Q25 WeakPolarHBondContact OG-CB 3.29Å; S22-Q25 PolarHBondContact OG-N 3.42Å; Q25-V27 VanDerWaalsContact C-N 3.29Å; Q25-V27 PolarHBondContact O-N 3.27Å; Q25-G29 WeakPolarHBondContact O-CA 3.41Å; Q25-G29 PolarHBondContact O-N 2.98Å; Q25-A30 WeakPolarHBondContact CA-O 3.49Å
26L90.1Very high87.5Confident105 Ų10575.8 Ų75.855%0.5545%0.45SS..Hα-helixtrans-63.8-34.8171.9-69172.4000112.8L19 T21 S22 S23 A24L19-L26 HydrophobicContact CD1-CD1 3.94Å; T21-L26 HydrophobicContact CG2-CD1 4.22Å; T21-L26 HydrophobicContact CG2-CD2 3.51Å; T21-L26 HydrophobicContact CG2-CG 3.45Å; T21-L26 VanDerWaalsContact CG2-CG 3.45Å; S22-L26 PolarHBondContact O-N 2.91Å; S22-L26 VanDerWaalsContact O-N 3.09Å; S23-L26 PolarHBondContact O-N 3.18Å; A24-L26 VanDerWaalsContact C-N 3.34Å; A24-L26 PolarHBondContact O-N 3.16Å
27V91.8Very high87Confident112 Ų11274.7 Ų74.768%0.67945%0.45SS*.Hα-helixtrans-82.1-48-177.3174.10000111.3S23 A24 Q25S23-V27 WeakPolarHBondContact O-CG2 3.36Å; S23-V27 PolarHBondContact O-N 3.31Å; A24-V27 PolarHBondContact O-N 3.27Å; A24-V27 VanDerWaalsContact O-N 3.16Å; Q25-V27 VanDerWaalsContact C-N 3.29Å; Q25-V27 PolarHBondContact O-N 3.27Å
28Y91.3Very high86.1Confident164 Ų16473.4 Ų73.464%0.64344%0.441SS*.Hα-helixtrans-93-10.3-173.4-59.4-61.8000113.6A24 A30 L32A24-Y28 HydrophobicContact CB-CD2 4.14Å; A24-Y28 HydrophobicContact CB-CE2 4.34Å; A24-Y28 WeakPolarHBondContact O-CD2 3.32Å; A24-Y28 PolarHBondContact O-N 3.1Å; Y28-A30 PolarHBondContact O-N 3.01Å; Y28-L32 HydrophobicContact CD2-CD2 4.13Å; Y28-L32 HydrophobicContact CD2-CG 4.29Å; Y28-L32 HydrophobicContact CE2-CD1 4.35Å; Y28-L32 HydrophobicContact CE2-CD2 4.1Å; Y28-L32 HydrophobicContact CE2-CG 4.38Å
29G88.2Confident85.4Confident66 Ų6675.1 Ų75.168%0.6845%0.449SS*.SBendtrans74.3-3.3-17400000114.4Q25Q25-G29 WeakPolarHBondContact O-CA 3.41Å; Q25-G29 PolarHBondContact O-N 2.98Å
30A86.1Confident84.3Confident50 Ų5078.7 Ų78.741%0.41348%0.475SS..SBendtrans-142149.8179.900000110.7Q25 Y28Q25-A30 WeakPolarHBondContact CA-O 3.49Å; Y28-A30 PolarHBondContact O-N 3.01Å
31P85.9Confident83.3Confident87 Ų8785.3 Ų85.357%0.56548%0.483SS*.  trans-62.7141.7173.927.7-34000110.8
32L87Confident82.1Confident59 Ų5995.7 Ų95.731%0.30952%0.519SS..  trans-72.6136.4171.9-77.5170.3000109.9L9 T13 A24 Y28 V34L9-L32 HydrophobicContact CD1-CD1 4.48Å; T13-L32 HydrophobicContact CG2-CB 3.79Å; T13-L32 HydrophobicContact CG2-CD1 3.97Å; T13-L32 HydrophobicContact CG2-CG 4.48Å; A24-L32 HydrophobicContact CB-CB 4.47Å; A24-L32 HydrophobicContact CB-CD1 3.35Å; A24-L32 HydrophobicContact CB-CG 3.66Å; Y28-L32 HydrophobicContact CD2-CD2 4.13Å; Y28-L32 HydrophobicContact CD2-CG 4.29Å; Y28-L32 HydrophobicContact CE2-CD1 4.35Å; Y28-L32 HydrophobicContact CE2-CD2 4.1Å; Y28-L32 HydrophobicContact CE2-CG 4.38Å; L32-V34 PolarHBondContact O-N 3.04Å
33T86.6Confident80.5Confident100 Ų100100.6 Ų100.661%0.61355%0.552SS**  trans-71.1112.5172.4-45.60000110.3D37 F38T33-D37 HydrophobicContact CG2-CB 4.32Å; T33-F38 HydrophobicContact CG2-CE1 4.06Å; T33-F38 HydrophobicContact CG2-CE2 4.38Å; T33-F38 HydrophobicContact CG2-CZ 3.89Å
34V86Confident79.2Confident31 Ų31107.9 Ų107.919%0.18858%0.58CS.*  trans-101.3154.9172.2-63.20000111.6L9 T13 L32 G36 D37L9-V34 HydrophobicContact CD1-CG1 4.26Å; L9-V34 HydrophobicContact CD2-CG1 4.36Å; L9-V34 HydrophobicContact CG-CG1 4.3Å; T13-V34 HydrophobicContact CG2-CG1 3.62Å; L32-V34 PolarHBondContact O-N 3.04Å; V34-G36 PolarHBondContact O-N 2.76Å; V34-D37 VanDerWaalsContact CG2-OD2 3.29Å; V34-D37 WeakPolarHBondContact CG2-OD2 3.34Å; V34-D37 PolarHBondContact N-OD2 2.56Å; V34-D37 PolarHBondContact O-N 3.11Å
35P80.4Confident77.9Confident103 Ų103117.3 Ų117.367%0.66962%0.623SS**THydrogen-bonded Turntrans-55.8104.3168.9-22.933.8000110
36G78.3Confident77Confident54 Ų54118.4 Ų118.456%0.55763%0.628SS**THydrogen-bonded Turntrans135.9-25.9-171.200000113.9V34 F38V34-G36 PolarHBondContact O-N 2.76Å; G36-F38 VanDerWaalsContact C-N 3.26Å; G36-F38 PolarHBondContact O-N 3.44Å
37D77.7Confident76.6Confident90 Ų90119.6 Ų119.648%0.48163%0.631SS.*THydrogen-bonded Turntrans-79-6.1-178.8-68.6-17.9000113.9T33 V34 I39T33-D37 HydrophobicContact CG2-CB 4.32Å; V34-D37 VanDerWaalsContact CG2-OD2 3.29Å; V34-D37 WeakPolarHBondContact CG2-OD2 3.34Å; V34-D37 PolarHBondContact N-OD2 2.56Å; V34-D37 PolarHBondContact O-N 3.11Å; D37-I39 PolarHBondContact O-N 3.05Å
38F69.2Low76.1Confident164 Ų164118.4 Ų118.472%0.71963%0.626SS**THydrogen-bonded Turntrans-73.26.1-174.9-66.1-75.9000114.8T33 G36 P40T33-F38 HydrophobicContact CG2-CE1 4.06Å; T33-F38 HydrophobicContact CG2-CE2 4.38Å; T33-F38 HydrophobicContact CG2-CZ 3.89Å; G36-F38 VanDerWaalsContact C-N 3.26Å; G36-F38 PolarHBondContact O-N 3.44Å; F38-P40 WeakPolarHBondContact O-CD 3.36Å
39I68.7Low75.8Confident133 Ų133113.8 Ų113.868%0.68262%0.621SS**SBendtrans-78.6108.9173.2-57.5175.4000107.2D37 Y41D37-I39 PolarHBondContact O-N 3.05Å; I39-Y41 PolarHBondContact O-N 2.8Å
40P61.8Low75.8Confident112 Ų112115.7 Ų115.773%0.72762%0.616SS**  trans-66.4111.9-17627.4-33.3000109.4F38 R42F38-P40 WeakPolarHBondContact O-CD 3.36Å; P40-R42 PolarHBondContact O-N 2.8Å; P40-R42 VanDerWaalsContact O-N 3.15Å
41Y65.6Low75.8Confident223 Ų223116.5 Ų116.588%0.87561%0.613SS**  trans-64.6113.6158.3-84.2-88.3000106.8I39 C43I39-Y41 PolarHBondContact O-N 2.8Å; Y41-C43 PolarHBondContact O-N 2.77Å
42R59.5Low75.8Confident247 Ų247116.9 Ų116.993%0.93261%0.61SS**  trans-64.385.8171.5-73-175.3178.6-174.9-0.5108.5P40 K44P40-R42 PolarHBondContact O-N 2.8Å; P40-R42 VanDerWaalsContact O-N 3.15Å; R42-K44 PolarHBondContact O-N 3.16Å
43C58.5Low76Confident109 Ų109119.9 Ų119.974%0.73662%0.622SS**  trans-73.5121.3169.2-155.30000106.9Y41 E45Y41-C43 PolarHBondContact O-N 2.77Å; C43-E45 PolarHBondContact O-N 2.84Å
44K65.9Low76.1Confident186 Ų186119.6 Ų119.681%0.80961%0.609SS**  trans-58.7131.8175-65.9177179.2178.40107.8R42 E46R42-K44 PolarHBondContact O-N 3.16Å; K44-E46 PolarHBondContact O-N 3.13Å
45E64.8Low76.2Confident202 Ų202122 Ų12294%0.94462%0.621SS**  trans-58.3106.6173.1-68.5173.8-178.700108C43C43-E45 PolarHBondContact O-N 2.84Å
46E72.8Confident76.7Confident89 Ų89124.8 Ų124.842%0.41662%0.618SS.*  trans-87.6137.5172.2-73.6177.3179.600108.5K44 R54K44-E46 PolarHBondContact O-N 3.13Å; E46-R54 VanDerWaalsContact CD-NH1 3.31Å; E46-R54 IonicContact OE1-CZ 3Å; E46-R54 IonicContact OE1-NH1 3.97Å; E46-R54 PolarHBondContact OE1-NH1 2.94Å; E46-R54 IonicContact OE1-NH2 3.11Å; E46-R54 IonicContact OE2-CZ 3.99Å; E46-R54 IonicContact OE2-NE 3.05Å; E46-R54 IonicContact OE2-NH1 3.38Å; E46-R54 PolarHBondContact OE2-NH1 3.09Å; E46-R54 IonicContact OE2-NH2 2.56Å; E46-R54 PolarHBondContact OE2-NH2 2.95Å
47E81.7Confident77.3Confident130 Ų130126.3 Ų126.361%0.60761%0.611SS**  trans-48.1131171.2-86.2-70.9149.400111.2A49 N50 L51E47-A49 PolarHBondContact O-N 2.95Å; E47-A49 VanDerWaalsContact O-N 3.12Å; E47-N50 HydrophobicContact CB-CB 4.43Å; E47-N50 WeakPolarHBondContact O-CB 3.18Å; E47-N50 PolarHBondContact O-N 3.45Å; E47-L51 PolarHBondContact O-N 2.95Å; E47-L51 VanDerWaalsContact O-N 3.09Å
48P83.1Confident77.8Confident88 Ų88127.8 Ų127.857%0.57161%0.613SS**Hα-helixtrans-59.1-31.8-171.922-34.3000113.3L51 L52P48-L51 PolarHBondContact O-N 3.09Å; P48-L52 WeakPolarHBondContact O-CG 3.42Å; P48-L52 PolarHBondContact O-N 2.92Å
49A84.6Confident78.7Confident67 Ų67124.6 Ų124.655%0.55461%0.606SS**Hα-helixtrans-64.4-41.5175.700000112.2E47 L52 H53E47-A49 PolarHBondContact O-N 2.95Å; E47-A49 VanDerWaalsContact O-N 3.12Å; A49-L52 PolarHBondContact O-N 2.87Å; A49-H53 WeakPolarHBondContact O-CB 3.32Å; A49-H53 PolarHBondContact O-N 3.34Å
50N87.8Confident79.7Confident105 Ų105127.5 Ų127.556%0.56161%0.609SS**Hα-helixtrans-69.6-38.7178.1-68.7-25000111.2E47 H53 R54E47-N50 HydrophobicContact CB-CB 4.43Å; E47-N50 WeakPolarHBondContact O-CB 3.18Å; E47-N50 PolarHBondContact O-N 3.45Å; N50-H53 PolarHBondContact O-N 2.81Å; N50-R54 WeakPolarHBondContact O-CB 3.33Å; N50-R54 PolarHBondContact O-N 3.38Å
51L86.3Confident81Confident68 Ų68125.6 Ų125.636%0.35660%0.602SS.*Hα-helixtrans-59.8-49.1174.4177.662.7000111.4E47 P48 H53 R54 L55E47-L51 PolarHBondContact O-N 2.95Å; E47-L51 VanDerWaalsContact O-N 3.09Å; P48-L51 PolarHBondContact O-N 3.09Å; L51-H53 PolarHBondContact O-N 2.98Å; L51-R54 PolarHBondContact O-N 3.21Å; L51-L55 HydrophobicContact CD1-CD1 4.2Å; L51-L55 HydrophobicContact CD1-CG 4.26Å; L51-L55 HydrophobicContact CG-CD1 4.08Å; L51-L55 WeakPolarHBondContact O-CB 3.09Å; L51-L55 WeakPolarHBondContact O-CG 3.37Å; L51-L55 PolarHBondContact O-N 3.1Å
52L86.4Confident81.9Confident95 Ų95121.1 Ų121.150%0.49759%0.593SS.*Hα-helixtrans-62.5-42.3178.2-76.9177.7000112.2P48 A49 L55 R56P48-L52 WeakPolarHBondContact O-CG 3.42Å; P48-L52 PolarHBondContact O-N 2.92Å; A49-L52 PolarHBondContact O-N 2.87Å; L52-L55 PolarHBondContact O-N 2.74Å; L52-R56 WeakPolarHBondContact O-CG 3.32Å; L52-R56 PolarHBondContact O-N 3.3Å
53H89.8Confident83Confident121 Ų121114.6 Ų114.656%0.5658%0.581SS**Hα-helixtrans-59.8-48.6176-172.966.3000110.9A49 N50 L51 L55 R56 E57A49-H53 WeakPolarHBondContact O-CB 3.32Å; A49-H53 PolarHBondContact O-N 3.34Å; N50-H53 PolarHBondContact O-N 2.81Å; L51-H53 PolarHBondContact O-N 2.98Å; H53-L55 PolarHBondContact O-N 3Å; H53-R56 PolarHBondContact O-N 2.76Å; H53-E57 WeakPolarHBondContact O-CG 3.41Å; H53-E57 PolarHBondContact O-N 3.21Å
54R89.8Confident84Confident94 Ų94115.3 Ų115.336%0.35558%0.584SS.*Hα-helixtrans-61.5-41.1177.3-172.6179.768-172.4-9.8113E46 N50 L51 E57 K58E46-R54 VanDerWaalsContact CD-NH1 3.31Å; E46-R54 IonicContact OE1-CZ 3Å; E46-R54 IonicContact OE1-NH1 3.97Å; E46-R54 PolarHBondContact OE1-NH1 2.94Å; E46-R54 IonicContact OE1-NH2 3.11Å; E46-R54 IonicContact OE2-CZ 3.99Å; E46-R54 IonicContact OE2-NE 3.05Å; E46-R54 IonicContact OE2-NH1 3.38Å; E46-R54 PolarHBondContact OE2-NH1 3.09Å; E46-R54 IonicContact OE2-NH2 2.56Å; E46-R54 PolarHBondContact OE2-NH2 2.95Å; N50-R54 WeakPolarHBondContact O-CB 3.33Å; N50-R54 PolarHBondContact O-N 3.38Å; L51-R54 PolarHBondContact O-N 3.21Å; R54-E57 PolarHBondContact O-N 3.09Å; R54-K58 WeakPolarHBondContact O-CB 3.41Å; R54-K58 WeakPolarHBondContact O-CG 3.46Å; R54-K58 PolarHBondContact O-N 3.01Å
55L87.4Confident84.6Confident82 Ų82110.9 Ų110.943%0.42957%0.572SS.*Hα-helixtrans-65-43.9177.7-74.2172.9000111.5L51 L52 H53 K58 V59L51-L55 HydrophobicContact CD1-CD1 4.2Å; L51-L55 HydrophobicContact CD1-CG 4.26Å; L51-L55 HydrophobicContact CG-CD1 4.08Å; L51-L55 WeakPolarHBondContact O-CB 3.09Å; L51-L55 WeakPolarHBondContact O-CG 3.37Å; L51-L55 PolarHBondContact O-N 3.1Å; L52-L55 PolarHBondContact O-N 2.74Å; H53-L55 PolarHBondContact O-N 3Å; L55-K58 PolarHBondContact O-N 2.68Å; L55-V59 WeakPolarHBondContact O-CB 3.49Å; L55-V59 VanDerWaalsContact O-CG2 3.26Å; L55-V59 WeakPolarHBondContact O-CG2 3.44Å; L55-V59 PolarHBondContact O-N 3.04Å
56R90.1Very high85.1Confident162 Ų162106.7 Ų106.761%0.61156%0.563SS**Hα-helixtrans-61.2-44.6176-75.7176.8175.9161.2-0.4111.8L52 H53 V59 R60L52-R56 WeakPolarHBondContact O-CG 3.32Å; L52-R56 PolarHBondContact O-N 3.3Å; H53-R56 PolarHBondContact O-N 2.76Å; R56-V59 PolarHBondContact O-N 2.89Å; R56-R60 WeakPolarHBondContact O-CB 2.95Å; R56-R60 WeakPolarHBondContact O-CG 3.18Å; R56-R60 PolarHBondContact O-N 2.8Å
57E91.6Very high85.2Confident85 Ų85107.2 Ų107.240%0.39757%0.572SS.*Hα-helixtrans-63.3-43.9176.3-71.6-57.3114.800111.7H53 R54 R60 A61H53-E57 WeakPolarHBondContact O-CG 3.41Å; H53-E57 PolarHBondContact O-N 3.21Å; R54-E57 PolarHBondContact O-N 3.09Å; E57-R60 PolarHBondContact O-N 2.93Å; E57-R60 IonicContact OE1-NH1 2.8Å; E57-R60 PolarHBondContact OE1-NH1 2.84Å; E57-A61 WeakPolarHBondContact O-CB 3.45Å; E57-A61 PolarHBondContact O-N 2.8Å
58K88.9Confident84.6Confident122 Ų122103.3 Ų103.353%0.5356%0.559SS.*Hα-helixtrans-59.3-49.4174-78.7-175.6177.5-174.40111.9R54 L55 R60 A61 L62R54-K58 WeakPolarHBondContact O-CB 3.41Å; R54-K58 WeakPolarHBondContact O-CG 3.46Å; R54-K58 PolarHBondContact O-N 3.01Å; L55-K58 PolarHBondContact O-N 2.68Å; K58-R60 VanDerWaalsContact C-N 3.33Å; K58-R60 PolarHBondContact O-N 2.84Å; K58-A61 CarbonylContact O-C 3.48Å; K58-A61 PolarHBondContact O-N 3.38Å; K58-A61 VanDerWaalsContact O-N 3.12Å; K58-L62 WeakPolarHBondContact O-CG 3.36Å; K58-L62 PolarHBondContact O-N 2.93Å
59V88.6Confident83.8Confident96 Ų96106.6 Ų106.658%0.58257%0.565SS**Hα-helixtrans-62.6-39.4-179.9171.50000111.4L55 R56 A61 L62L55-V59 WeakPolarHBondContact O-CB 3.49Å; L55-V59 VanDerWaalsContact O-CG2 3.26Å; L55-V59 WeakPolarHBondContact O-CG2 3.44Å; L55-V59 PolarHBondContact O-N 3.04Å; R56-V59 PolarHBondContact O-N 2.89Å; V59-A61 VanDerWaalsContact C-N 3.3Å; V59-A61 PolarHBondContact O-N 2.91Å; V59-L62 HydrophobicContact CB-CD1 4.47Å; V59-L62 HydrophobicContact CG2-CD1 4.32Å; V59-L62 WeakPolarHBondContact O-CB 3.07Å; V59-L62 PolarHBondContact O-N 3.27Å
60R88Confident83.1Confident194 Ų194110.7 Ų110.773%0.73257%0.572SS**Hα-helixtrans-63.8-35.3173.6-76.3170172.9-176-7.8112.6R56 E57 K58 L62R56-R60 WeakPolarHBondContact O-CB 2.95Å; R56-R60 WeakPolarHBondContact O-CG 3.18Å; R56-R60 PolarHBondContact O-N 2.8Å; E57-R60 PolarHBondContact O-N 2.93Å; E57-R60 IonicContact OE1-NH1 2.8Å; E57-R60 PolarHBondContact OE1-NH1 2.84Å; K58-R60 VanDerWaalsContact C-N 3.33Å; K58-R60 PolarHBondContact O-N 2.84Å; R60-L62 VanDerWaalsContact C-N 3.33Å
61A89Confident82.1Confident72 Ų72108 Ų10860%0.59557%0.569SS**THydrogen-bonded Turntrans-83.2-2.9177.100000113.9E57 K58 V59 T63E57-A61 WeakPolarHBondContact O-CB 3.45Å; E57-A61 PolarHBondContact O-N 2.8Å; K58-A61 CarbonylContact O-C 3.48Å; K58-A61 PolarHBondContact O-N 3.38Å; K58-A61 VanDerWaalsContact O-N 3.12Å; V59-A61 VanDerWaalsContact C-N 3.3Å; V59-A61 PolarHBondContact O-N 2.91Å; A61-T63 PolarHBondContact O-N 2.79Å
62L84.5Confident81.2Confident130 Ų130111.3 Ų111.368%0.68159%0.587SS**  trans-69.1101.9178.3-71.7177000110.1K58 V59 R60K58-L62 WeakPolarHBondContact O-CG 3.36Å; K58-L62 PolarHBondContact O-N 2.93Å; V59-L62 HydrophobicContact CB-CD1 4.47Å; V59-L62 HydrophobicContact CG2-CD1 4.32Å; V59-L62 WeakPolarHBondContact O-CB 3.07Å; V59-L62 PolarHBondContact O-N 3.27Å; R60-L62 VanDerWaalsContact C-N 3.33Å
63T82.6Confident80.5Confident110 Ų110112.5 Ų112.568%0.67560%0.599SS**PPolyproline II helixtrans-95.4144.716254.90000109.5A61 V65A61-T63 PolarHBondContact O-N 2.79Å; T63-V65 PolarHBondContact O-N 3.28Å; T63-V65 VanDerWaalsContact O-N 3.13Å
64P80.2Confident79.9Confident123 Ų123117.4 Ų117.480%0.79961%0.612SS**PPolyproline II helixtrans-55.8122.817323.5-32.3000109.6P66P64-P66 WeakPolarHBondContact O-CD 3.19Å
65V78.7Confident79.3Confident93 Ų93115.9 Ų115.956%0.56461%0.614SS**PPolyproline II helixtrans-71120.3174.7178.50000107.2L19 T63 T67L19-V65 HydrophobicContact CD2-CG1 4.3Å; T63-V65 PolarHBondContact O-N 3.28Å; T63-V65 VanDerWaalsContact O-N 3.13Å; V65-T67 PolarHBondContact O-N 3.17Å; V65-T67 VanDerWaalsContact O-N 3.13Å
66P75.2Confident79Confident115 Ų115119.2 Ų119.275%0.74763%0.627SS**PPolyproline II helixtrans-59.7122.2176.224.2-31.7000108.4P64P64-P66 WeakPolarHBondContact O-CD 3.19Å
67T74.1Confident78.8Confident99 Ų99112.9 Ų112.961%0.60761%0.606SS**PPolyproline II helixtrans-69.3155.8173.454.30000109.2L19 V65 F69L19-T67 HydrophobicContact CD2-CG2 3.93Å; V65-T67 PolarHBondContact O-N 3.17Å; V65-T67 VanDerWaalsContact O-N 3.13Å; T67-F69 PolarHBondContact O-N 2.91Å
68S69.7Low78.5Confident48 Ų48111.5 Ų111.534%0.33661%0.605SS.*  trans-59.6103.3172.635.40000109.8D18 H70D18-S68 WeakPolarHBondContact OD2-CB 3.5Å; D18-S68 PolarHBondContact OD2-OG 2.83Å; S68-H70 PolarHBondContact O-N 3.15Å; S68-H70 PolarHBondContact OG-NE2 3.1Å
69F66Low78.4Confident158 Ų158111 Ų11169%0.69361%0.612SS**  trans-77.890173.2-173.7-107.6000109T67 G71 N72T67-F69 PolarHBondContact O-N 2.91Å; F69-G71 VanDerWaalsContact CE1-CA 3.46Å; F69-G71 PolarHBondContact O-N 3.27Å; F69-G71 VanDerWaalsContact O-N 3.1Å; F69-N72 HydrophobicContact CD1-CB 4.2Å; F69-N72 HydrophobicContact CE1-CB 4.28Å
70H70.1Confident78.3Confident153 Ų153111.5 Ų111.571%0.70861%0.612SS**THydrogen-bonded Turntrans-69.51.7173.1-57.2-61.6000113.3S68S68-H70 PolarHBondContact O-N 3.15Å; S68-H70 PolarHBondContact OG-NE2 3.1Å
71G67Low78.4Confident48 Ų48102.3 Ų102.350%0.49558%0.577SS.*THydrogen-bonded Turntrans-87.32.2-172.900000116.3F69 T73F69-G71 VanDerWaalsContact CE1-CA 3.46Å; F69-G71 PolarHBondContact O-N 3.27Å; F69-G71 VanDerWaalsContact O-N 3.1Å; G71-T73 PolarHBondContact O-N 2.61Å
72N66.8Low78.4Confident138 Ų138105.3 Ų105.374%0.73858%0.577SS**  trans-84.212.2-176.8-148.513.5000114.2F69 R74F69-N72 HydrophobicContact CD1-CB 4.2Å; F69-N72 HydrophobicContact CE1-CB 4.28Å; N72-R74 PolarHBondContact O-N 3.44Å
73T72.2Confident78.5Confident120 Ų120105.3 Ų105.374%0.73658%0.577SS**  trans-72.1110.7173.1-54.60000108.1G71G71-T73 PolarHBondContact O-N 2.61Å
74R77Confident78.8Confident224 Ų224100.4 Ų100.485%0.84555%0.548SS*.PPolyproline II helixtrans-60.1123.6174.5-67.7-177.2-178.6-176.90.6108.3N72 H76N72-R74 PolarHBondContact O-N 3.44Å; R74-H76 PolarHBondContact O-N 3.04Å
75P77.6Confident79.4Confident62 Ų6298.4 Ų98.440%0.40354%0.535SS..PPolyproline II helixtrans-66.6130.3179.329.7-35.9000109.4L113 T114P75-L113 HydrophobicContact CG-CB 3.9Å; P75-T114 HydrophobicContact CB-CG2 3.33Å; P75-T114 HydrophobicContact CG-CG2 3.87Å
76H82.2Confident80.1Confident152 Ų15296.1 Ų96.170%0.70452%0.516SS*.PPolyproline II helixtrans-96.6121.1175.9179.370.5000108.9R74R74-H76 PolarHBondContact O-N 3.04Å
77V84.4Confident81Confident28 Ų2890.7 Ų90.717%0.1748%0.481CS..  trans-107.3125.1170.3-174.90000107.4T79 L81 L113 F116 V129V77-T79 PolarHBondContact O-N 2.88Å; V77-L81 HydrophobicContact CG1-CB 4.15Å; V77-L81 HydrophobicContact CG1-CD2 4.23Å; V77-L113 WeakPolarHBondContact CG2-O 3.42Å; V77-F116 HydrophobicContact CG1-CE2 4.2Å; V77-F116 HydrophobicContact CG1-CZ 4.02Å; V77-V129 HydrophobicContact CG2-CG2 4.18Å
78P85.3Confident82Confident56 Ų5688.9 Ų88.936%0.36447%0.465SS..  trans-54.7136.2172.5-24.433.8000110.5D80 L81 K82P78-D80 PolarHBondContact O-N 3.05Å; P78-L81 HydrophobicContact CB-CB 4.4Å; P78-L81 WeakPolarHBondContact O-CB 3.44Å; P78-L81 PolarHBondContact O-N 3.16Å; P78-K82 PolarHBondContact O-N 3.12Å
79T86.6Confident83.1Confident111 Ų11186.7 Ų86.768%0.68145%0.449SS*.Hα-helixtrans-52.3-43.3-176.6-48.80000111.6V77 L81 K82V77-T79 PolarHBondContact O-N 2.88Å; T79-L81 VanDerWaalsContact C-N 3.26Å; T79-L81 PolarHBondContact O-N 3.46Å; T79-K82 WeakPolarHBondContact O-CB 3.49Å; T79-K82 PolarHBondContact O-N 3.5Å; T79-K82 VanDerWaalsContact O-N 3.16Å
80D87.3Confident84.5Confident107 Ų10783.1 Ų83.157%0.57243%0.431SS*.Hα-helixtrans-63.1-30.5-179-55.2-9.1000112.8P78 S84 P134P78-D80 PolarHBondContact O-N 3.05Å; D80-S84 WeakPolarHBondContact O-CB 3.42Å; D80-P134 HydrophobicContact CB-CB 4.3Å; D80-P134 HydrophobicContact CB-CG 3.91Å
81L90.6Very high85.4Confident2 Ų279.3 Ų79.31%0.0141%0.411CS..Hα-helixtrans-78.4-30.7179.8-159.282.3000111.6V77 P78 T79 D83 S84 V87 F116 V129 L132 P134V77-L81 HydrophobicContact CG1-CB 4.15Å; V77-L81 HydrophobicContact CG1-CD2 4.23Å; P78-L81 HydrophobicContact CB-CB 4.4Å; P78-L81 WeakPolarHBondContact O-CB 3.44Å; P78-L81 PolarHBondContact O-N 3.16Å; T79-L81 VanDerWaalsContact C-N 3.26Å; T79-L81 PolarHBondContact O-N 3.46Å; L81-D83 PolarHBondContact O-N 2.98Å; L81-S84 WeakPolarHBondContact CA-OG 3.18Å; L81-S84 PolarHBondContact O-N 3.33Å; L81-S84 PolarHBondContact O-OG 3.31Å; L81-V87 HydrophobicContact CD1-CG1 3.75Å; L81-F116 HydrophobicContact CD2-CD2 4.37Å; L81-F116 HydrophobicContact CD2-CE1 4.11Å; L81-F116 HydrophobicContact CD2-CE2 3.82Å; L81-F116 HydrophobicContact CD2-CZ 3.66Å; L81-F116 HydrophobicContact CG-CE1 4.01Å; L81-F116 HydrophobicContact CG-CZ 3.9Å; L81-F116 WeakPolarHBondContact O-CE1 3.41Å; L81-V129 HydrophobicContact CD2-CB 4.47Å; L81-V129 HydrophobicContact CD2-CG1 3.87Å; L81-V129 HydrophobicContact CD2-CG2 4.32Å; L81-L132 HydrophobicContact CD1-CB 3.97Å; L81-L132 HydrophobicContact CD2-CB 4.12Å; L81-P134 HydrophobicContact CD1-CB 4.37Å
82K87.9Confident86.3Confident134 Ų13481.2 Ų81.258%0.58341%0.409SS*.Hα-helixtrans-57.2-37.5-173.5-165.2-177.4179.8-172.50112.4P78 T79 H111P78-K82 PolarHBondContact O-N 3.12Å; T79-K82 WeakPolarHBondContact O-CB 3.49Å; T79-K82 PolarHBondContact O-N 3.5Å; T79-K82 VanDerWaalsContact O-N 3.16Å; K82-H111 PolarHBondContact O-CE1 3.06Å; K82-H111 PolarHBondContact O-ND1 3.17Å
83D86.5Confident87.3Confident130 Ų13078.1 Ų78.170%0.69540%0.403SS*.THydrogen-bonded Turntrans-114.39.3-178.9-56.8-41.3000112.8L81 P85L81-D83 PolarHBondContact O-N 2.98Å; D83-P85 VanDerWaalsContact O-CD 3.29Å; D83-P85 WeakPolarHBondContact O-CD 3.21Å
84S90Very high87.9Confident8 Ų880.4 Ų80.46%0.05641%0.411CS..  trans-70.3118.3-17762.60000112.9D80 L81 Y86 V87 V108 H111D80-S84 WeakPolarHBondContact O-CB 3.42Å; L81-S84 WeakPolarHBondContact CA-OG 3.18Å; L81-S84 PolarHBondContact O-N 3.33Å; L81-S84 PolarHBondContact O-OG 3.31Å; S84-Y86 VanDerWaalsContact C-N 3.27Å; S84-Y86 PolarHBondContact O-N 2.99Å; S84-V87 WeakPolarHBondContact OG-CG1 3.34Å; S84-V108 WeakPolarHBondContact O-CG2 3.35Å; S84-H111 PolarHBondContact O-CE1 2.99Å
85P92.2Very high88.2Confident81 Ų8173.4 Ų73.453%0.52639%0.387SS..SBendtrans-72.7-23.8177.727-32.5000112.7D83 V108D83-P85 VanDerWaalsContact O-CD 3.29Å; D83-P85 WeakPolarHBondContact O-CD 3.21Å; P85-V108 PolarHBondContact O-N 3.26Å
86Y93.3Very high88.6Confident45 Ų4576.5 Ų76.518%0.17640%0.4CS..EExtended strand (participates in β ladder)trans-132.3143.7179.5-66.1-87.1000110.9S84 P105 F106 R107 A135 L137 I143 T145S84-Y86 VanDerWaalsContact C-N 3.27Å; S84-Y86 PolarHBondContact O-N 2.99Å; Y86-P105 HydrophobicContact CD1-CB 4.23Å; Y86-P105 HydrophobicContact CG-CB 4.44Å; Y86-F106 CarbonylContact C-O 3.59Å; Y86-F106 VanDerWaalsContact CA-O 3.22Å; Y86-F106 WeakPolarHBondContact CA-O 3.47Å; Y86-R107 HydrophobicContact CD1-CB 4.15Å; Y86-R107 HydrophobicContact CE1-CB 3.8Å; Y86-R107 HydrophobicContact CE1-CG 4.21Å; Y86-A135 WeakPolarHBondContact O-CB 3.33Å; Y86-A135 PolarHBondContact O-N 3.44Å; Y86-L137 HydrophobicContact CD1-CD1 4.28Å; Y86-L137 HydrophobicContact CD2-CD1 3.85Å; Y86-L137 HydrophobicContact CG-CD1 3.7Å; Y86-I143 HydrophobicContact CD1-CG2 4.07Å; Y86-I143 HydrophobicContact CD2-CD1 4.22Å; Y86-I143 HydrophobicContact CE1-CG2 3.64Å; Y86-I143 HydrophobicContact CE2-CD1 3.48Å; Y86-I143 VanDerWaalsContact CE2-CD1 3.48Å; Y86-I143 HydrophobicContact CE2-CG2 4.31Å; Y86-T145 HydrophobicContact CD1-CG2 4.34Å; Y86-T145 HydrophobicContact CE1-CG2 3.85Å
87V94.5Very high88.9Confident0 Ų074.5 Ų74.50%041%0.411CS..EExtended strand (participates in β ladder)trans-135.5151.6-178.6-660000111.5L81 S84 F106 V108 I118 L132 N133L81-V87 HydrophobicContact CD1-CG1 3.75Å; S84-V87 WeakPolarHBondContact OG-CG1 3.34Å; V87-F106 PolarHBondContact N-O 3.4Å; V87-F106 PolarHBondContact O-N 3.43Å; V87-V108 HydrophobicContact CB-CG2 4.24Å; V87-V108 HydrophobicContact CG1-CG2 3.57Å; V87-V108 HydrophobicContact CG2-CG2 3.72Å; V87-I118 HydrophobicContact CG2-CG2 3.63Å; V87-L132 HydrophobicContact CB-CD2 4.3Å; V87-L132 HydrophobicContact CG2-CD1 4.49Å; V87-L132 HydrophobicContact CG2-CD2 3.89Å; V87-N133 CarbonylContact C-O 3.58Å; V87-N133 WeakPolarHBondContact CA-O 3.42Å
88F94.4Very high89.1Confident62 Ų6281.2 Ų81.227%0.27244%0.444SS..EExtended strand (participates in β ladder)trans-93.6134.6166.2-69.4-71.8000110.1Y102 E103 G104 L132 N133 A135F88-Y102 HydrophobicContact CB-CD1 4.15Å; F88-Y102 HydrophobicContact CB-CG 4.45Å; F88-E103 CarbonylContact C-O 3.56Å; F88-E103 WeakPolarHBondContact CA-O 3.44Å; F88-G104 VanDerWaalsContact CE1-C 3.49Å; F88-L132 WeakPolarHBondContact O-CA 3.26Å; F88-N133 HydrophobicContact CB-CB 4.36Å; F88-N133 PolarHBondContact N-O 3.47Å; F88-N133 PolarHBondContact O-N 2.77Å; F88-A135 HydrophobicContact CD2-CB 3.64Å; F88-A135 HydrophobicContact CE2-CB 3.42Å; F88-A135 VanDerWaalsContact CE2-CB 3.42Å; F88-A135 HydrophobicContact CG-CB 4.4Å; F88-A135 HydrophobicContact CZ-CB 4.03Å
89L94.2Very high89.1Confident1 Ų181.9 Ų81.91%0.00544%0.442CS..EExtended strand (participates in β ladder)trans-102126.9179.6176.566.3000110.9Y102 E103 F106 I118 I120 V127 R131 L132L89-Y102 CarbonylContact O-C 3.56Å; L89-Y102 WeakPolarHBondContact O-CA 3.46Å; L89-E103 PolarHBondContact N-O 3.01Å; L89-E103 PolarHBondContact O-N 3.13Å; L89-F106 HydrophobicContact CB-CD2 3.9Å; L89-F106 HydrophobicContact CB-CE2 3.82Å; L89-F106 HydrophobicContact CD2-CE2 4.38Å; L89-I118 HydrophobicContact CD2-CD1 4.26Å; L89-I120 HydrophobicContact CD2-CD1 4.09Å; L89-V127 HydrophobicContact CD1-CB 4.36Å; L89-V127 HydrophobicContact CD1-CG1 3.42Å; L89-V127 VanDerWaalsContact CD1-CG1 3.42Å; L89-V127 HydrophobicContact CD1-CG2 4.05Å; L89-R131 HydrophobicContact CD1-CB 4.3Å; L89-L132 HydrophobicContact CD1-CD2 3.98Å
90R93.9Very high89.3Confident83 Ų8384.6 Ų84.631%0.31344%0.444SS..EExtended strand (participates in β ladder)trans-72.4133.2174.8-164.2174.270.2-135.2-4.1112D92 Y102 D130 R131R90-D92 IonicContact CZ-OD1 3.02Å; R90-D92 IonicContact NE-OD1 3.01Å; R90-D92 PolarHBondContact NE-OD1 2.87Å; R90-D92 IonicContact NH2-OD1 3.81Å; R90-D92 PolarHBondContact NH2-OD1 3.44Å; R90-Y102 HydrophobicContact CB-CD1 3.96Å; R90-Y102 HydrophobicContact CB-CE1 3.68Å; R90-Y102 HydrophobicContact CG-CD1 4.47Å; R90-Y102 HydrophobicContact CG-CE1 4.08Å; R90-D130 PolarHBondContact NH1-O 2.88Å; R90-R131 WeakPolarHBondContact CB-O 3.21Å; R90-R131 PolarHBondContact N-O 2.9Å; R90-R131 PolarHBondContact O-NH2 3.19Å; R90-R131 VanDerWaalsContact O-NH2 3.16Å
91R89.5Confident89.4Confident74 Ų7482.5 Ų82.528%0.27944%0.436SS..  trans-87.4108.4168.9-75.5175.9159.8159.2-6.5109.7A93 P101 E103R91-A93 VanDerWaalsContact C-N 3.29Å; R91-P101 PolarHBondContact N-O 3Å; R91-E103 HydrophobicContact CG-CG 3.83Å; R91-E103 WeakPolarHBondContact CG-OE2 3.48Å; R91-E103 VanDerWaalsContact CZ-CG 3.41Å; R91-E103 IonicContact CZ-OE1 3.75Å; R91-E103 IonicContact CZ-OE2 3.17Å; R91-E103 IonicContact NE-OE1 3.35Å; R91-E103 PolarHBondContact NE-OE1 3.33Å; R91-E103 VanDerWaalsContact NE-OE1 3.11Å; R91-E103 IonicContact NE-OE2 3Å; R91-E103 PolarHBondContact NE-OE2 3.01Å; R91-E103 IonicContact NH1-OE1 3.01Å; R91-E103 VanDerWaalsContact NH2-CD 3.26Å; R91-E103 IonicContact NH2-OE1 2.7Å; R91-E103 PolarHBondContact NH2-OE1 3.1Å; R91-E103 IonicContact NH2-OE2 3.7Å
92D86.9Confident89.5Confident87 Ų8786.5 Ų86.547%0.46545%0.452SS..  trans-87.32.9176.7-51.5-66.3000113.4R90 R131R90-D92 IonicContact CZ-OD1 3.02Å; R90-D92 IonicContact NE-OD1 3.01Å; R90-D92 PolarHBondContact NE-OD1 2.87Å; R90-D92 IonicContact NH2-OD1 3.81Å; R90-D92 PolarHBondContact NH2-OD1 3.44Å; D92-R131 IonicContact OD2-CZ 3.04Å; D92-R131 IonicContact OD2-NE 3.89Å; D92-R131 PolarHBondContact OD2-NE 3.23Å; D92-R131 IonicContact OD2-NH2 2.76Å; D92-R131 PolarHBondContact OD2-NH2 3.05Å
93A86.6Confident89.7Confident73 Ų7381 Ų8160%0.60343%0.429SS*.SBendtrans-77155174.900000111.3R91 H95R91-A93 VanDerWaalsContact C-N 3.29Å; A93-H95 PolarHBondContact O-N 3.3Å; A93-H95 PolarHBondContact O-ND1 3.13Å
94N85.7Confident89.8Confident168 Ų16875.9 Ų75.990%0.89841%0.406SS*.  trans-57.3128.2170.5-168.424.5000109.6
95H82.4Confident89.9Confident77 Ų7776.2 Ų76.236%0.35641%0.408SS..  trans-133.1154.3-173.654.3-81.9000109.9A93 Q99A93-H95 PolarHBondContact O-N 3.3Å; A93-H95 PolarHBondContact O-ND1 3.13Å; H95-Q99 HydrophobicContact CB-CB 4.09Å; H95-Q99 HydrophobicContact CB-CG 4.2Å
96N86.3Confident89.9Confident127 Ų12772.4 Ų72.468%0.67938%0.383SS*.  trans-64.8152.3176.5-65.2-23.4000109.9I98 Q99N96-I98 PolarHBondContact O-N 3.37Å; N96-Q99 HydrophobicContact CB-CB 4.41Å; N96-Q99 WeakPolarHBondContact O-CB 3.48Å; N96-Q99 PolarHBondContact O-N 3.36Å
97A88Confident90Very high111 Ų11176.9 Ų76.992%0.91740%0.4SS*.THydrogen-bonded Turntrans-53.8-23.6-177.200000114.9
98I88Confident90Very high168 Ų16877.4 Ų77.486%0.86240%0.403SS*.THydrogen-bonded Turntrans-104.1-0.7-176.9-48.6174.5000111.8N96N96-I98 PolarHBondContact O-N 3.37Å
99Q87.2Confident90Very high71 Ų7178 Ų7833%0.33241%0.409SS..SBendtrans-80.5134.7-178.6-176.2172-700111.1H95 N96H95-Q99 HydrophobicContact CB-CB 4.09Å; H95-Q99 HydrophobicContact CB-CG 4.2Å; N96-Q99 HydrophobicContact CB-CB 4.41Å; N96-Q99 WeakPolarHBondContact O-CB 3.48Å; N96-Q99 PolarHBondContact O-N 3.36Å
100K89.2Confident90Very high168 Ų16883.7 Ų83.773%0.7344%0.435SS*.  trans-60.4129.1177.5-64.4-176.3179.8-174.70110.8Y102K100-Y102 VanDerWaalsContact C-N 3.27Å; K100-Y102 PolarHBondContact O-N 2.94Å
101P90.5Very high90Very high62 Ų6283.4 Ų83.440%0.40344%0.437SS..SBendtrans-73.2-21.3-178.524.9-30.3000112.8R91R91-P101 PolarHBondContact N-O 3Å
102Y92.6Very high90.1Very high87 Ų8781.3 Ų81.334%0.34144%0.439SS..EExtended strand (participates in β ladder)trans-111.1143.8177.3-66.2-92000111.6F88 L89 R90 K100 N133F88-Y102 HydrophobicContact CB-CD1 4.15Å; F88-Y102 HydrophobicContact CB-CG 4.45Å; L89-Y102 CarbonylContact O-C 3.56Å; L89-Y102 WeakPolarHBondContact O-CA 3.46Å; R90-Y102 HydrophobicContact CB-CD1 3.96Å; R90-Y102 HydrophobicContact CB-CE1 3.68Å; R90-Y102 HydrophobicContact CG-CD1 4.47Å; R90-Y102 HydrophobicContact CG-CE1 4.08Å; K100-Y102 VanDerWaalsContact C-N 3.27Å; K100-Y102 PolarHBondContact O-N 2.94Å; Y102-N133 HydrophobicContact CD1-CB 4.45Å; Y102-N133 HydrophobicContact CE1-CB 4.09Å
103E91.1Very high90.1Very high19 Ų1983.3 Ų83.39%0.08945%0.449CS..EExtended strand (participates in β ladder)trans-110.3148.6168.4-66-175.2107.900109.7F88 L89 R91 F106 R148F88-E103 CarbonylContact C-O 3.56Å; F88-E103 WeakPolarHBondContact CA-O 3.44Å; L89-E103 PolarHBondContact N-O 3.01Å; L89-E103 PolarHBondContact O-N 3.13Å; R91-E103 HydrophobicContact CG-CG 3.83Å; R91-E103 WeakPolarHBondContact CG-OE2 3.48Å; R91-E103 VanDerWaalsContact CZ-CG 3.41Å; R91-E103 IonicContact CZ-OE1 3.75Å; R91-E103 IonicContact CZ-OE2 3.17Å; R91-E103 IonicContact NE-OE1 3.35Å; R91-E103 PolarHBondContact NE-OE1 3.33Å; R91-E103 VanDerWaalsContact NE-OE1 3.11Å; R91-E103 IonicContact NE-OE2 3Å; R91-E103 PolarHBondContact NE-OE2 3.01Å; R91-E103 IonicContact NH1-OE1 3.01Å; R91-E103 VanDerWaalsContact NH2-CD 3.26Å; R91-E103 IonicContact NH2-OE1 2.7Å; R91-E103 PolarHBondContact NH2-OE1 3.1Å; R91-E103 IonicContact NH2-OE2 3.7Å; E103-F106 HydrophobicContact CB-CE2 3.71Å; E103-F106 HydrophobicContact CB-CZ 3.98Å; E103-F106 WeakPolarHBondContact O-CE2 3.38Å; E103-R148 IonicContact OE1-NE 2.74Å; E103-R148 IonicContact OE2-CZ 2.68Å; E103-R148 IonicContact OE2-NE 2.95Å; E103-R148 PolarHBondContact OE2-NE 3.01Å; E103-R148 IonicContact OE2-NH2 3.54Å; E103-R148 PolarHBondContact OE2-NH2 3.36Å
104G88.4Confident90.3Very high22 Ų2283.6 Ų83.623%0.22744%0.443CS..EExtended strand (participates in β ladder)trans144.7-173.7175.900000111.6F88F88-G104 VanDerWaalsContact CE1-C 3.49Å
105P92.5Very high90.7Very high15 Ų1578.6 Ų78.610%0.09742%0.419CS..EExtended strand (participates in β ladder)cis-72.9147.2728-35.1000113.8Y86 A135 L137 I143 T145 A146Y86-P105 HydrophobicContact CD1-CB 4.23Å; Y86-P105 HydrophobicContact CG-CB 4.44Å; P105-A135 HydrophobicContact CB-CB 4.02Å; P105-L137 HydrophobicContact CB-CD1 3.79Å; P105-L137 HydrophobicContact CB-CD2 4.4Å; P105-L137 HydrophobicContact CG-CD1 3.77Å; P105-L137 HydrophobicContact CG-CD2 4.1Å; P105-I143 HydrophobicContact CG-CG2 4.33Å; P105-T145 CarbonylContact O-C 3.51Å; P105-T145 VanDerWaalsContact O-CA 3.22Å; P105-T145 WeakPolarHBondContact O-CA 3.49Å; P105-A146 PolarHBondContact O-N 3.46Å
106F93.6Very high91.3Very high1 Ų175 Ų750%0.00440%0.402CS..EExtended strand (participates in β ladder)trans-113.7144.4168-63.4-73.6000109.7Y86 V87 L89 E103 I118 D119 I120 A146 R148Y86-F106 CarbonylContact C-O 3.59Å; Y86-F106 VanDerWaalsContact CA-O 3.22Å; Y86-F106 WeakPolarHBondContact CA-O 3.47Å; V87-F106 PolarHBondContact N-O 3.4Å; V87-F106 PolarHBondContact O-N 3.43Å; L89-F106 HydrophobicContact CB-CD2 3.9Å; L89-F106 HydrophobicContact CB-CE2 3.82Å; L89-F106 HydrophobicContact CD2-CE2 4.38Å; E103-F106 HydrophobicContact CB-CE2 3.71Å; E103-F106 HydrophobicContact CB-CZ 3.98Å; E103-F106 WeakPolarHBondContact O-CE2 3.38Å; F106-I118 HydrophobicContact CB-CB 4.37Å; F106-I118 HydrophobicContact CB-CD1 4.18Å; F106-I118 HydrophobicContact CD2-CD1 4.32Å; F106-I118 HydrophobicContact CG-CD1 4.31Å; F106-D119 WeakPolarHBondContact CD1-O 3.35Å; F106-I120 HydrophobicContact CD1-CG1 4.03Å; F106-I120 HydrophobicContact CE1-CB 4.49Å; F106-I120 HydrophobicContact CE1-CG1 4.17Å; F106-I120 HydrophobicContact CE1-CG2 4.2Å; F106-I120 HydrophobicContact CG-CG1 4.47Å; F106-A146 HydrophobicContact CE1-CB 3.94Å; F106-A146 WeakPolarHBondContact CE1-O 3.29Å; F106-A146 HydrophobicContact CE2-CB 4.45Å; F106-A146 HydrophobicContact CZ-CB 3.83Å; F106-R148 HydrophobicContact CE1-CG 3.93Å; F106-R148 HydrophobicContact CZ-CG 3.54Å
107R93.6Very high91.8Very high138 Ų13870.5 Ų70.552%0.52138%0.378SS..EExtended strand (participates in β ladder)trans-76.6132.4178.4-175.9178.6179.2177.31.9109.9Y86 I118 D119Y86-R107 HydrophobicContact CD1-CB 4.15Å; Y86-R107 HydrophobicContact CE1-CB 3.8Å; Y86-R107 HydrophobicContact CE1-CG 4.21Å; R107-I118 CarbonylContact O-C 3.58Å; R107-I118 WeakPolarHBondContact O-CA 3.23Å; R107-D119 HydrophobicContact CB-CB 4.42Å; R107-D119 PolarHBondContact O-N 3.05Å
108V94.5Very high92.1Very high12 Ų1265.2 Ų65.27%0.07333%0.334CS..EExtended strand (participates in β ladder)trans-80.7129.9170.3-175.70000109S84 P85 V87 H111 F116 I118S84-V108 WeakPolarHBondContact O-CG2 3.35Å; P85-V108 PolarHBondContact O-N 3.26Å; V87-V108 HydrophobicContact CB-CG2 4.24Å; V87-V108 HydrophobicContact CG1-CG2 3.57Å; V87-V108 HydrophobicContact CG2-CG2 3.72Å; V108-H111 WeakPolarHBondContact CG1-NE2 3.26Å; V108-F116 HydrophobicContact CG1-CD1 3.86Å; V108-F116 HydrophobicContact CG2-CD1 4.48Å; V108-I118 HydrophobicContact CG2-CG2 4.22Å
109L94.5Very high92.4Very high75 Ų7559.8 Ų59.839%0.39331%0.307SS..EExtended strand (participates in β ladder)trans-99.1-36.9176-60.5178.8000111.4I117 D119 Q124L109-I117 HydrophobicContact CB-CG2 4.27Å; L109-I117 HydrophobicContact CD1-CG2 4.32Å; L109-I117 PolarHBondContact N-O 2.87Å; L109-D119 HydrophobicContact CD1-CB 4.08Å; L109-D119 HydrophobicContact CD2-CB 4.26Å; L109-D119 HydrophobicContact CG-CB 4.17Å; L109-Q124 HydrophobicContact CD1-CB 4.26Å; L109-Q124 HydrophobicContact CD1-CG 3.57Å
110Q94.8Very high92.6Very high119 Ų11957 Ų5756%0.55629%0.294SS*.EExtended strand (participates in β ladder)trans-146132.4178.5-172.6176.8-14.500110.9F116 I117Q110-F116 WeakPolarHBondContact O-CA 3.4Å; Q110-I117 HydrophobicContact CB-CB 3.99Å; Q110-I117 HydrophobicContact CB-CD1 4.06Å; Q110-I117 HydrophobicContact CB-CG1 4.1Å; Q110-I117 PolarHBondContact N-O 3.07Å; Q110-I117 PolarHBondContact O-N 3.13Å
111H93.8Very high92.5Very high77 Ų7752.9 Ų52.936%0.35628%0.28SS..  trans-92.5143.7175.7-61.5-111.2000109.9K82 S84 V108 F116K82-H111 PolarHBondContact O-CE1 3.06Å; K82-H111 PolarHBondContact O-ND1 3.17Å; S84-H111 PolarHBondContact O-CE1 2.99Å; V108-H111 WeakPolarHBondContact CG1-NE2 3.26Å; H111-F116 HydrophobicContact CB-CD1 4.44Å; H111-F116 HydrophobicContact CB-CE1 4.06Å; H111-F116 HydrophobicContact CB-CZ 4.44Å; H111-F116 AromaticContact CG-CE1 3.89Å; H111-F116 AromaticContact ND1-CD1 3.99Å; H111-F116 AromaticContact ND1-CE1 3.32Å; H111-F116 VanDerWaalsContact ND1-CE1 3.32Å; H111-F116 WeakPolarHBondContact ND1-CE1 3.17Å
112G90.9Very high92.4Very high30 Ų3053.2 Ų53.231%0.30929%0.294SS..  trans-146177.2177.200000112.4T115 F116G112-T115 WeakPolarHBondContact CA-O 3.28Å; G112-T115 PolarHBondContact N-O 3.09Å; G112-F116 WeakPolarHBondContact O-CE2 3.39Å
113L88.9Confident92.4Very high129 Ų12958.3 Ų58.368%0.67531%0.313SS*.SBendtrans-78.8-32.9-175.6-63.5177.9000113.3P75 V77P75-L113 HydrophobicContact CG-CB 3.9Å; V77-L113 WeakPolarHBondContact CG2-O 3.42Å
114T90.1Very high92.6Very high80 Ų8064.3 Ų64.349%0.49134%0.341SS..SBendtrans-125.8-20.4179.648.10000112.7P75 S128 V129P75-T114 HydrophobicContact CB-CG2 3.33Å; P75-T114 HydrophobicContact CG-CG2 3.87Å; T114-S128 CarbonylContact O-C 3.48Å; T114-S128 WeakPolarHBondContact O-CA 3.42Å; T114-V129 WeakPolarHBondContact O-CG2 3.23Å; T114-V129 PolarHBondContact O-N 3.33Å
115T93.7Very high92.8Very high63 Ų6366.6 Ų66.639%0.38735%0.348SS..EExtended strand (participates in β ladder)trans-139145.1-174.657.60000111.1G112 T126 V127G112-T115 WeakPolarHBondContact CA-O 3.28Å; G112-T115 PolarHBondContact N-O 3.09Å; T115-T126 HydrophobicContact CG2-CG2 4.33Å; T115-V127 CarbonylContact C-O 3.57Å; T115-V127 WeakPolarHBondContact CA-O 3.36Å
116F94.5Very high93Very high1 Ų170.1 Ų70.10%0.00437%0.369CS..EExtended strand (participates in β ladder)trans-121.7149.3177.4-76.5-123000108.6V77 L81 V108 Q110 H111 G112 T126 V127 V129 L132V77-F116 HydrophobicContact CG1-CE2 4.2Å; V77-F116 HydrophobicContact CG1-CZ 4.02Å; L81-F116 HydrophobicContact CD2-CD2 4.37Å; L81-F116 HydrophobicContact CD2-CE1 4.11Å; L81-F116 HydrophobicContact CD2-CE2 3.82Å; L81-F116 HydrophobicContact CD2-CZ 3.66Å; L81-F116 HydrophobicContact CG-CE1 4.01Å; L81-F116 HydrophobicContact CG-CZ 3.9Å; L81-F116 WeakPolarHBondContact O-CE1 3.41Å; V108-F116 HydrophobicContact CG1-CD1 3.86Å; V108-F116 HydrophobicContact CG2-CD1 4.48Å; Q110-F116 WeakPolarHBondContact O-CA 3.4Å; H111-F116 HydrophobicContact CB-CD1 4.44Å; H111-F116 HydrophobicContact CB-CE1 4.06Å; H111-F116 HydrophobicContact CB-CZ 4.44Å; H111-F116 AromaticContact CG-CE1 3.89Å; H111-F116 AromaticContact ND1-CD1 3.99Å; H111-F116 AromaticContact ND1-CE1 3.32Å; H111-F116 VanDerWaalsContact ND1-CE1 3.32Å; H111-F116 WeakPolarHBondContact ND1-CE1 3.17Å; G112-F116 WeakPolarHBondContact O-CE2 3.39Å; F116-T126 WeakPolarHBondContact O-CA 3.49Å; F116-V127 PolarHBondContact N-O 3.16Å; F116-V127 PolarHBondContact O-N 2.85Å; F116-V129 HydrophobicContact CD2-CG2 3.57Å; F116-V129 HydrophobicContact CE2-CG2 3.36Å; F116-L132 HydrophobicContact CB-CD1 3.58Å; F116-L132 HydrophobicContact CD1-CD1 4.31Å; F116-L132 HydrophobicContact CD2-CD1 4.16Å; F116-L132 HydrophobicContact CG-CD1 3.77Å
117I96.5Very high93Very high33 Ų3370.1 Ų70.117%0.16937%0.37CS..EExtended strand (participates in β ladder)trans-102.8123.1172-55.1-178000107.8L109 Q110 Q124 D125L109-I117 HydrophobicContact CB-CG2 4.27Å; L109-I117 HydrophobicContact CD1-CG2 4.32Å; L109-I117 PolarHBondContact N-O 2.87Å; Q110-I117 HydrophobicContact CB-CB 3.99Å; Q110-I117 HydrophobicContact CB-CD1 4.06Å; Q110-I117 HydrophobicContact CB-CG1 4.1Å; Q110-I117 PolarHBondContact N-O 3.07Å; Q110-I117 PolarHBondContact O-N 3.13Å; I117-Q124 HydrophobicContact CG2-CB 3.86Å; I117-D125 WeakPolarHBondContact CA-O 3.18Å
118I95Very high93Very high0 Ų065.5 Ų65.50%036%0.359CS..EExtended strand (participates in β ladder)trans-120.1150.1-179.260.7169.2000111.4V87 L89 F106 R107 V108 I120 D125 V127V87-I118 HydrophobicContact CG2-CG2 3.63Å; L89-I118 HydrophobicContact CD2-CD1 4.26Å; F106-I118 HydrophobicContact CB-CB 4.37Å; F106-I118 HydrophobicContact CB-CD1 4.18Å; F106-I118 HydrophobicContact CD2-CD1 4.32Å; F106-I118 HydrophobicContact CG-CD1 4.31Å; R107-I118 CarbonylContact O-C 3.58Å; R107-I118 WeakPolarHBondContact O-CA 3.23Å; V108-I118 HydrophobicContact CG2-CG2 4.22Å; I118-I120 HydrophobicContact CD1-CD1 3.84Å; I118-I120 HydrophobicContact CD1-CG1 3.92Å; I118-I120 HydrophobicContact CG1-CD1 4.14Å; I118-I120 HydrophobicContact CG1-CG1 4Å; I118-D125 PolarHBondContact N-O 3.35Å; I118-D125 PolarHBondContact O-N 2.96Å; I118-V127 HydrophobicContact CD1-CG2 3.75Å; I118-V127 HydrophobicContact CG1-CG2 3.87Å
119D94.4Very high92.9Very high54 Ų5465.5 Ų65.529%0.28936%0.358SS..EExtended strand (participates in β ladder)trans-86.5113.4173.5-176.64.6000110.7F106 R107 L109 G122 R123F106-D119 WeakPolarHBondContact CD1-O 3.35Å; R107-D119 HydrophobicContact CB-CB 4.42Å; R107-D119 PolarHBondContact O-N 3.05Å; L109-D119 HydrophobicContact CD1-CB 4.08Å; L109-D119 HydrophobicContact CD2-CB 4.26Å; L109-D119 HydrophobicContact CG-CB 4.17Å; D119-G122 WeakPolarHBondContact OD1-CA 3.41Å; D119-G122 PolarHBondContact OD1-N 3.46Å; D119-R123 PolarHBondContact OD1-N 2.88Å
120I91.5Very high92.8Very high13 Ų1367.9 Ų67.97%0.06737%0.372CS..EExtended strand (participates in β ladder)trans-115.8107.2174-57.1-179.8000108.4L89 F106 I118 G122 R123 D125 R148L89-I120 HydrophobicContact CD2-CD1 4.09Å; F106-I120 HydrophobicContact CD1-CG1 4.03Å; F106-I120 HydrophobicContact CE1-CB 4.49Å; F106-I120 HydrophobicContact CE1-CG1 4.17Å; F106-I120 HydrophobicContact CE1-CG2 4.2Å; F106-I120 HydrophobicContact CG-CG1 4.47Å; I118-I120 HydrophobicContact CD1-CD1 3.84Å; I118-I120 HydrophobicContact CD1-CG1 3.92Å; I118-I120 HydrophobicContact CG1-CD1 4.14Å; I118-I120 HydrophobicContact CG1-CG1 4Å; I120-G122 VanDerWaalsContact C-N 3.27Å; I120-G122 PolarHBondContact O-N 3.02Å; I120-R123 PolarHBondContact N-O 3.28Å; I120-R123 WeakPolarHBondContact O-CB 3.38Å; I120-R123 PolarHBondContact O-N 3.17Å; I120-D125 HydrophobicContact CD1-CB 3.71Å; I120-D125 WeakPolarHBondContact CD1-OD2 3.18Å; I120-D125 HydrophobicContact CG1-CB 4.27Å; I120-R148 HydrophobicContact CG2-CB 3.9Å; I120-R148 VanDerWaalsContact CG2-CD 3.42Å; I120-R148 HydrophobicContact CG2-CG 3.68Å
121N88Confident92.7Very high81 Ų8165.5 Ų65.543%0.43336%0.357SS..THydrogen-bonded Turntrans55.234.9179.4-54-48.6000114.5R123 R147 R148N121-R123 VanDerWaalsContact C-N 3.32Å; N121-R147 WeakPolarHBondContact OD1-CA 3.37Å; N121-R147 WeakPolarHBondContact OD1-CB 3.44Å; N121-R148 PolarHBondContact ND2-N 3.36Å; N121-R148 PolarHBondContact ND2-O 2.88Å; N121-R148 PolarHBondContact OD1-N 3.47Å; N121-R148 VanDerWaalsContact OD1-N 3.13Å
122G88.1Confident92.7Very high68 Ų6862.7 Ų62.770%0.70135%0.345SS*.THydrogen-bonded Turntrans828.1-177.100000113.9D119 I120D119-G122 WeakPolarHBondContact OD1-CA 3.41Å; D119-G122 PolarHBondContact OD1-N 3.46Å; I120-G122 VanDerWaalsContact C-N 3.27Å; I120-G122 PolarHBondContact O-N 3.02Å
123R91.6Very high92.8Very high194 Ų19464.9 Ų64.973%0.73235%0.35SS*.EExtended strand (participates in β ladder)trans-112.4139173.7-64.7-175.1179.7-175.6-2109.6D119 I120 N121D119-R123 PolarHBondContact OD1-N 2.88Å; I120-R123 PolarHBondContact N-O 3.28Å; I120-R123 WeakPolarHBondContact O-CB 3.38Å; I120-R123 PolarHBondContact O-N 3.17Å; N121-R123 VanDerWaalsContact C-N 3.32Å
124Q94.8Very high93Very high146 Ų14659.4 Ų59.468%0.68232%0.322SS*.EExtended strand (participates in β ladder)trans-78.9127.8172.8-51.5-168.8-100109.1L109 I117L109-Q124 HydrophobicContact CD1-CB 4.26Å; L109-Q124 HydrophobicContact CD1-CG 3.57Å; I117-Q124 HydrophobicContact CG2-CB 3.86Å
125D94.1Very high93.1Very high70 Ų7056 Ų5637%0.37430%0.302SS..EExtended strand (participates in β ladder)trans-127.2136.7176.1-160.95000109.9I117 I118 I120I117-D125 WeakPolarHBondContact CA-O 3.18Å; I118-D125 PolarHBondContact N-O 3.35Å; I118-D125 PolarHBondContact O-N 2.96Å; I120-D125 HydrophobicContact CD1-CB 3.71Å; I120-D125 WeakPolarHBondContact CD1-OD2 3.18Å; I120-D125 HydrophobicContact CG1-CB 4.27Å
126T95.9Very high92.8Very high88 Ų8860.1 Ų60.154%0.5432%0.316SS..EExtended strand (participates in β ladder)trans-96.1119.5-178.6-58.20000109.4T115 F116T115-T126 HydrophobicContact CG2-CG2 4.33Å; F116-T126 WeakPolarHBondContact O-CA 3.49Å
127V94.3Very high92.2Very high2 Ų262.8 Ų62.81%0.01233%0.33CS..EExtended strand (participates in β ladder)trans-124.4140.1-173.5-174.80000110.3L89 T115 F116 I118 R131 L132L89-V127 HydrophobicContact CD1-CB 4.36Å; L89-V127 HydrophobicContact CD1-CG1 3.42Å; L89-V127 VanDerWaalsContact CD1-CG1 3.42Å; L89-V127 HydrophobicContact CD1-CG2 4.05Å; T115-V127 CarbonylContact C-O 3.57Å; T115-V127 WeakPolarHBondContact CA-O 3.36Å; F116-V127 PolarHBondContact N-O 3.16Å; F116-V127 PolarHBondContact O-N 2.85Å; I118-V127 HydrophobicContact CD1-CG2 3.75Å; I118-V127 HydrophobicContact CG1-CG2 3.87Å; V127-R131 HydrophobicContact CG1-CB 3.82Å; V127-L132 HydrophobicContact CB-CD2 4.31Å; V127-L132 HydrophobicContact CG1-CD1 4.46Å; V127-L132 HydrophobicContact CG1-CD2 3.8Å; V127-L132 HydrophobicContact CG1-CG 4Å
128S93.6Very high91.4Very high41 Ų4166.6 Ų66.629%0.28735%0.351SS..EExtended strand (participates in β ladder)trans-69.7147.617260.20000112.5T114 D130 R131T114-S128 CarbonylContact O-C 3.48Å; T114-S128 WeakPolarHBondContact O-CA 3.42Å; S128-D130 PolarHBondContact O-N 3.46Å; S128-R131 PolarHBondContact O-N 3.45Å; S128-R131 VanDerWaalsContact O-N 3.09Å; S128-R131 WeakPolarHBondContact OG-CG 3.38Å
129V92.7Very high90.3Very high11 Ų1174 Ų747%0.06739%0.389CS..G310 helixtrans-52.4-39.8176.8169.60000111.9V77 L81 T114 F116 R131 L132V77-V129 HydrophobicContact CG2-CG2 4.18Å; L81-V129 HydrophobicContact CD2-CB 4.47Å; L81-V129 HydrophobicContact CD2-CG1 3.87Å; L81-V129 HydrophobicContact CD2-CG2 4.32Å; T114-V129 WeakPolarHBondContact O-CG2 3.23Å; T114-V129 PolarHBondContact O-N 3.33Å; F116-V129 HydrophobicContact CD2-CG2 3.57Å; F116-V129 HydrophobicContact CE2-CG2 3.36Å; V129-R131 PolarHBondContact O-N 2.98Å; V129-L132 PolarHBondContact O-N 3.15Å
130D91.1Very high89.3Confident126 Ų12679.1 Ų79.167%0.67442%0.417SS*.G310 helixtrans-61.9-13.7-177.8-55.4-39.4000114.6R90 S128R90-D130 PolarHBondContact NH1-O 2.88Å; S128-D130 PolarHBondContact O-N 3.46Å
131R93.6Very high88.3Confident68 Ų6884.6 Ų84.626%0.25744%0.442SS..G310 helixtrans-103.1-0.9179-60.117971.5-150.7-6.3112.7L89 R90 D92 V127 S128 V129L89-R131 HydrophobicContact CD1-CB 4.3Å; R90-R131 WeakPolarHBondContact CB-O 3.21Å; R90-R131 PolarHBondContact N-O 2.9Å; R90-R131 PolarHBondContact O-NH2 3.19Å; R90-R131 VanDerWaalsContact O-NH2 3.16Å; D92-R131 IonicContact OD2-CZ 3.04Å; D92-R131 IonicContact OD2-NE 3.89Å; D92-R131 PolarHBondContact OD2-NE 3.23Å; D92-R131 IonicContact OD2-NH2 2.76Å; D92-R131 PolarHBondContact OD2-NH2 3.05Å; V127-R131 HydrophobicContact CG1-CB 3.82Å; S128-R131 PolarHBondContact O-N 3.45Å; S128-R131 VanDerWaalsContact O-N 3.09Å; S128-R131 WeakPolarHBondContact OG-CG 3.38Å; V129-R131 PolarHBondContact O-N 2.98Å
132L94Very high87.5Confident18 Ų1886.2 Ų86.29%0.09446%0.457CS..EExtended strand (participates in β ladder)trans-109.7149.1-174.9-60.8178.4000111.4L81 V87 F88 L89 F116 V127 V129L81-L132 HydrophobicContact CD1-CB 3.97Å; L81-L132 HydrophobicContact CD2-CB 4.12Å; V87-L132 HydrophobicContact CB-CD2 4.3Å; V87-L132 HydrophobicContact CG2-CD1 4.49Å; V87-L132 HydrophobicContact CG2-CD2 3.89Å; F88-L132 WeakPolarHBondContact O-CA 3.26Å; L89-L132 HydrophobicContact CD1-CD2 3.98Å; F116-L132 HydrophobicContact CB-CD1 3.58Å; F116-L132 HydrophobicContact CD1-CD1 4.31Å; F116-L132 HydrophobicContact CD2-CD1 4.16Å; F116-L132 HydrophobicContact CG-CD1 3.77Å; V127-L132 HydrophobicContact CB-CD2 4.31Å; V127-L132 HydrophobicContact CG1-CD1 4.46Å; V127-L132 HydrophobicContact CG1-CD2 3.8Å; V127-L132 HydrophobicContact CG1-CG 4Å; V129-L132 PolarHBondContact O-N 3.15Å
133N92.5Very high86.8Confident76 Ų7686.1 Ų86.141%0.40644%0.439SS..EExtended strand (participates in β ladder)trans-133.9134.7169.4-166.817.8000106.9V87 F88 Y102V87-N133 CarbonylContact C-O 3.58Å; V87-N133 WeakPolarHBondContact CA-O 3.42Å; F88-N133 HydrophobicContact CB-CB 4.36Å; F88-N133 PolarHBondContact N-O 3.47Å; F88-N133 PolarHBondContact O-N 2.77Å; Y102-N133 HydrophobicContact CD1-CB 4.45Å; Y102-N133 HydrophobicContact CE1-CB 4.09Å
134P93.3Very high85.9Confident15 Ų1587.2 Ų87.210%0.09744%0.443CS..EExtended strand (participates in β ladder)trans-56.1142.1175.423.7-37.4000111.6D80 L81D80-P134 HydrophobicContact CB-CB 4.3Å; D80-P134 HydrophobicContact CB-CG 3.91Å; L81-P134 HydrophobicContact CD1-CB 4.37Å
135A91.6Very high85Confident8 Ų883.8 Ų83.87%0.06643%0.433CS..  trans-101.4107.5171.100000109.6Y86 F88 P105 L137Y86-A135 WeakPolarHBondContact O-CB 3.33Å; Y86-A135 PolarHBondContact O-N 3.44Å; F88-A135 HydrophobicContact CD2-CB 3.64Å; F88-A135 HydrophobicContact CE2-CB 3.42Å; F88-A135 VanDerWaalsContact CE2-CB 3.42Å; F88-A135 HydrophobicContact CG-CB 4.4Å; F88-A135 HydrophobicContact CZ-CB 4.03Å; P105-A135 HydrophobicContact CB-CB 4.02Å; A135-L137 HydrophobicContact CB-CD1 4.5Å; A135-L137 HydrophobicContact CB-CD2 4.42Å; A135-L137 HydrophobicContact CB-CG 4.19Å; A135-L137 PolarHBondContact O-N 3.23Å
136H87.2Confident84.2Confident150 Ų15081.7 Ų81.769%0.69443%0.425SS*.  trans-79.7104.6170.5-49128.7000108.1
137L83.5Confident83.3Confident57 Ų5788 Ų8830%0.29844%0.439SS..  trans-116.1139.8-179.1-57.2175.1000109.1Y86 P105 A135 I139 I143Y86-L137 HydrophobicContact CD1-CD1 4.28Å; Y86-L137 HydrophobicContact CD2-CD1 3.85Å; Y86-L137 HydrophobicContact CG-CD1 3.7Å; P105-L137 HydrophobicContact CB-CD1 3.79Å; P105-L137 HydrophobicContact CB-CD2 4.4Å; P105-L137 HydrophobicContact CG-CD1 3.77Å; P105-L137 HydrophobicContact CG-CD2 4.1Å; A135-L137 HydrophobicContact CB-CD1 4.5Å; A135-L137 HydrophobicContact CB-CD2 4.42Å; A135-L137 HydrophobicContact CB-CG 4.19Å; A135-L137 PolarHBondContact O-N 3.23Å; L137-I139 PolarHBondContact O-N 3.02Å; L137-I143 HydrophobicContact CD1-CD1 4.43Å; L137-I143 HydrophobicContact CD1-CG1 4.13Å; L137-I143 HydrophobicContact CD1-CG2 3.71Å
138D79Confident82.2Confident112 Ų11291.3 Ų91.360%0.59945%0.451SS*.  trans-70.2121.7169.9-69.7-25.8000109.3D140 Q141D138-D140 PolarHBondContact O-N 2.7Å; D138-Q141 PolarHBondContact O-N 2.74Å
139I71.6Confident80.8Confident157 Ų157101 Ų10181%0.80548%0.481SS*.THydrogen-bonded Turntrans-63.1-25.4-176.9-58.8169.1000111.2L137 Q141L137-I139 PolarHBondContact O-N 3.02Å; I139-Q141 VanDerWaalsContact C-N 3.26Å; I139-Q141 PolarHBondContact O-N 3.5Å
140D73Confident79.3Confident161 Ų161102.8 Ų102.886%0.86150%0.503SS*.THydrogen-bonded Turntrans-76.7-9.4-177.3-59.6-29.6000113.8D138D138-D140 PolarHBondContact O-N 2.7Å
141Q71.6Confident77.6Confident128 Ų128103.6 Ų103.660%0.59852%0.515SS*.SBendtrans-104.8143.3178.5-67.1-174.337.100111.6D138 I139 I143D138-Q141 PolarHBondContact O-N 2.74Å; I139-Q141 VanDerWaalsContact C-N 3.26Å; I139-Q141 PolarHBondContact O-N 3.5Å; Q141-I143 PolarHBondContact O-N 3.4Å
142P70.8Confident75.8Confident115 Ų115103.3 Ų103.375%0.74753%0.533SS*.  trans-63110.2176.725.8-33.3000110.1R144P142-R144 PolarHBondContact O-N 2.91Å; P142-R144 VanDerWaalsContact O-N 3.1Å
143I72.5Confident73.9Confident65 Ų65113.3 Ų113.333%0.33357%0.569SS.*  trans-65.1111.9-177.7-62.6160.9000109.5Y86 P105 L137 Q141 T145Y86-I143 HydrophobicContact CD1-CG2 4.07Å; Y86-I143 HydrophobicContact CD2-CD1 4.22Å; Y86-I143 HydrophobicContact CE1-CG2 3.64Å; Y86-I143 HydrophobicContact CE2-CD1 3.48Å; Y86-I143 VanDerWaalsContact CE2-CD1 3.48Å; Y86-I143 HydrophobicContact CE2-CG2 4.31Å; P105-I143 HydrophobicContact CG-CG2 4.33Å; L137-I143 HydrophobicContact CD1-CD1 4.43Å; L137-I143 HydrophobicContact CD1-CG1 4.13Å; L137-I143 HydrophobicContact CD1-CG2 3.71Å; Q141-I143 PolarHBondContact O-N 3.4Å; I143-T145 HydrophobicContact CG2-CG2 4.39Å; I143-T145 PolarHBondContact O-N 3.12Å
144R73.3Confident72.3Confident217 Ų217114.6 Ų114.682%0.81958%0.582SS**  trans-90.699.5173.2-69.8-172.9172.1-166-1.4109.3P142P142-R144 PolarHBondContact O-N 2.91Å; P142-R144 VanDerWaalsContact O-N 3.1Å
145T76.8Confident70.6Confident74 Ų74119.7 Ų119.745%0.45462%0.615SS.*  trans-66.5139.9172.752.60000110.8Y86 P105 I143Y86-T145 HydrophobicContact CD1-CG2 4.34Å; Y86-T145 HydrophobicContact CE1-CG2 3.85Å; P105-T145 CarbonylContact O-C 3.51Å; P105-T145 VanDerWaalsContact O-CA 3.22Å; P105-T145 WeakPolarHBondContact O-CA 3.49Å; I143-T145 HydrophobicContact CG2-CG2 4.39Å; I143-T145 PolarHBondContact O-N 3.12Å
146A76.6Confident69.1Low26 Ų26127.7 Ų127.722%0.21565%0.648CS.*  trans-67.4137.817900000110.3P105 F106P105-A146 PolarHBondContact O-N 3.46Å; F106-A146 HydrophobicContact CE1-CB 3.94Å; F106-A146 WeakPolarHBondContact CE1-O 3.29Å; F106-A146 HydrophobicContact CE2-CB 4.45Å; F106-A146 HydrophobicContact CZ-CB 3.83Å
147R76.1Confident67.8Low220 Ų220126.2 Ų126.283%0.8365%0.652SS**  trans-96.4113.5167.6-68.6-174.1177.2-166.7-1.5109.3N121 R149N121-R147 WeakPolarHBondContact OD1-CA 3.37Å; N121-R147 WeakPolarHBondContact OD1-CB 3.44Å; R147-R149 PolarHBondContact O-N 2.96Å
148R71.5Confident66.2Low72 Ų72134.8 Ų134.827%0.27268%0.68SS.*PPolyproline II helixtrans-68.9132.3169.9-65.4-172.992.5-162.95.4107.7E103 F106 I120 N121 G150E103-R148 IonicContact OE1-NE 2.74Å; E103-R148 IonicContact OE2-CZ 2.68Å; E103-R148 IonicContact OE2-NE 2.95Å; E103-R148 PolarHBondContact OE2-NE 3.01Å; E103-R148 IonicContact OE2-NH2 3.54Å; E103-R148 PolarHBondContact OE2-NH2 3.36Å; F106-R148 HydrophobicContact CE1-CG 3.93Å; F106-R148 HydrophobicContact CZ-CG 3.54Å; I120-R148 HydrophobicContact CG2-CB 3.9Å; I120-R148 VanDerWaalsContact CG2-CD 3.42Å; I120-R148 HydrophobicContact CG2-CG 3.68Å; N121-R148 PolarHBondContact ND2-N 3.36Å; N121-R148 PolarHBondContact ND2-O 2.88Å; N121-R148 PolarHBondContact OD1-N 3.47Å; N121-R148 VanDerWaalsContact OD1-N 3.13Å; R148-G150 PolarHBondContact O-N 3.36Å; R148-G150 VanDerWaalsContact O-N 3.1Å
149R64.8Low65Low244 Ų244134.7 Ų134.792%0.92168%0.684SS**PPolyproline II helixtrans-61121.2168.1-67.7-175.8-178.9-179.40.5106.5R147R147-R149 PolarHBondContact O-N 2.96Å
150G61.2Low64.1Low50 Ų50138.6 Ų138.652%0.51569%0.688SS.*PPolyproline II helixtrans-54.1152.3178.100000110.5R148 G152R148-G150 PolarHBondContact O-N 3.36Å; R148-G150 VanDerWaalsContact O-N 3.1Å; G150-G152 PolarHBondContact O-N 2.94Å
151P54.2Low63.3Low142 Ų142138.7 Ų138.792%0.92268%0.683SS**SBendtrans-57.8109.917420.3-27000108.5
152G57.2Low62.3Low62 Ų62137.4 Ų137.464%0.63969%0.689SS**  trans-167.8140.2-174.900000109.6G150G150-G152 PolarHBondContact O-N 2.94Å
153R52.9Low61.4Low228 Ų228137.9 Ų137.986%0.8669%0.692SS**PPolyproline II helixtrans-56.7130.7172.8-170.5176.5-172.8167.54.6107.9
154P60.7Low60.3Low103 Ų103139.2 Ų139.267%0.66971%0.712SS**PPolyproline II helixtrans-52.9136.2173.221.7-31.5000108.5K156P154-K156 PolarHBondContact O-N 3.09Å; P154-K156 VanDerWaalsContact O-N 3.15Å
155P57.5Low59.2Low123 Ų123134.8 Ų134.880%0.79971%0.712SS**PPolyproline II helixtrans-56.9126.2-179.920.4-29.1000108.6
156K60.1Low57.7Low176 Ų176135.6 Ų135.677%0.76573%0.726SS**PPolyproline II helixtrans-56.4128.2175.2-152.4177.7-173-175.60106.7P154 R158P154-K156 PolarHBondContact O-N 3.09Å; P154-K156 VanDerWaalsContact O-N 3.15Å; K156-R158 PolarHBondContact O-N 2.89Å
157P58.3Low56.2Low118 Ų118140.7 Ų140.777%0.76676%0.755SS**  trans-57.9114178.820.5-29.4000108.2T159P157-T159 PolarHBondContact O-N 3.44Å; P157-T159 VanDerWaalsContact O-N 3.09Å
158R51Low54.8Low238 Ų238137.1 Ų137.190%0.89875%0.752SS**  trans-72101.4170.6-71179.485.8171.75.2106.1K156 R160K156-R158 PolarHBondContact O-N 2.89Å; R158-R160 PolarHBondContact O-N 3.39Å
159T54.5Low53.6Low110 Ų110142 Ų14268%0.67578%0.781SS**  trans-57107.9158.6220000106.8P157 H161P157-T159 PolarHBondContact O-N 3.44Å; P157-T159 VanDerWaalsContact O-N 3.09Å; T159-H161 PolarHBondContact O-N 3.42Å
160R51.2Low53.2Low238 Ų238137.8 Ų137.890%0.89877%0.772SS**  trans-67.492.7164-74-175.1-175.9-169.41.2106.1R158 S162R158-R160 PolarHBondContact O-N 3.39Å; R160-S162 VanDerWaalsContact C-N 3.27Å; R160-S162 PolarHBondContact O-N 3.5Å
161H56.1Low53Low163 Ų163141.2 Ų141.276%0.75579%0.786SS**  trans-70.594.5160.6-71.6-85.1000106.4T159T159-H161 PolarHBondContact O-N 3.42Å
162S51.6Low53.3Low101 Ų101139.3 Ų139.371%0.70677%0.771SS**  trans-62.6134.6159.4-69.80000107.5R160 A164R160-S162 VanDerWaalsContact C-N 3.27Å; R160-S162 PolarHBondContact O-N 3.5Å; S162-A164 PolarHBondContact O-N 3.33Å; S162-A164 VanDerWaalsContact O-N 3.09Å
163P51.3Low54.1Low126 Ų126145 Ų14582%0.81877%0.774SS**  trans-67.9111.9174.326.3-26.7000107.5
164A50.5Low55.3Low92 Ų92139.6 Ų139.676%0.7676%0.756SS**PPolyproline II helixtrans-71.7134.117400000109S162S162-A164 PolarHBondContact O-N 3.33Å; S162-A164 VanDerWaalsContact O-N 3.09Å
165P49.4Very low56.4Low125 Ų125141 Ų14181%0.81275%0.749SS**PPolyproline II helixtrans-68.8151.217430.3-32.1000110
166A44.7Very low57.5Low90 Ų90137.5 Ų137.574%0.74473%0.726SS**SBendtrans-61.3150.4-177.900000112.8
167T44.9Very low57.8Low134 Ų134136.2 Ų136.282%0.82274%0.735SS**  trans84.392.5157.1-17.50000117
168N48Very low58.8Low145 Ų145135.5 Ų135.578%0.77573%0.733SS**  -169.6125.4113.1-133.9-25.1000109.7Q170N168-Q170 PolarHBondContact O-N 2.85Å
169I46.1Very low60.3Low173 Ų173126.7 Ų126.789%0.88772%0.717SS**  trans-75.697.2179.1-61167000107.3
170Q55.2Low61.3Low157 Ų157130.8 Ų130.873%0.73472%0.72SS**  trans-111.2140.4161.2-77.9-167.6-5.700109.3N168 T172N168-Q170 PolarHBondContact O-N 2.85Å; Q170-T172 PolarHBondContact O-N 3.33Å
171P57.9Low62.9Low122 Ų122123 Ų12379%0.79270%0.696SS**  trans-61.2115.2-17924.1-31000109.3R173P171-R173 PolarHBondContact O-N 2.92Å; P171-R173 VanDerWaalsContact O-N 3.16Å
172T60.5Low64.1Low102 Ų102118.8 Ų118.863%0.62668%0.681SS**  trans-63.1116.1179.442.30000109.8Q170 F174Q170-T172 PolarHBondContact O-N 3.33Å; T172-F174 VanDerWaalsContact O-CD2 3.3Å; T172-F174 WeakPolarHBondContact O-CD2 3.42Å; T172-F174 WeakPolarHBondContact O-CE2 3.45Å; T172-F174 PolarHBondContact O-N 3.01Å
173R74.6Confident65.4Low182 Ų182122.6 Ų122.669%0.68769%0.685SS**  trans-68.5112.7167.9-74-176.3-178.4173.52.9108.3P171 Y175 L181P171-R173 PolarHBondContact O-N 2.92Å; P171-R173 VanDerWaalsContact O-N 3.16Å; R173-Y175 HydrophobicContact CB-CE2 3.82Å; R173-Y175 WeakPolarHBondContact O-CD2 3.35Å; R173-L181 HydrophobicContact CB-CD1 3.5Å; R173-L181 HydrophobicContact CG-CD1 3.79Å
174F77.5Confident66.6Low113 Ų113124.7 Ų124.750%0.49668%0.681SS.*  trans-83.5134.8174.6-65.7-84.9000109.9T172 V182T172-F174 VanDerWaalsContact O-CD2 3.3Å; T172-F174 WeakPolarHBondContact O-CD2 3.42Å; T172-F174 WeakPolarHBondContact O-CE2 3.45Å; T172-F174 PolarHBondContact O-N 3.01Å; F174-V182 HydrophobicContact CB-CB 4.01Å; F174-V182 HydrophobicContact CB-CG2 4.23Å; F174-V182 PolarHBondContact O-N 3.48Å
175Y84.1Confident67.8Low133 Ų133126 Ų12652%0.52268%0.681SS.*BIsolated β-bridgetrans-118.7144.2176.6-67-90.9000110.8R173 G179 R180 L181R173-Y175 HydrophobicContact CB-CE2 3.82Å; R173-Y175 WeakPolarHBondContact O-CD2 3.35Å; Y175-G179 WeakPolarHBondContact CD1-O 3.21Å; Y175-R180 CarbonylContact C-O 3.55Å; Y175-R180 VanDerWaalsContact CA-O 3.3Å; Y175-R180 WeakPolarHBondContact CA-O 3.48Å; Y175-L181 HydrophobicContact CD1-CB 4.33Å; Y175-L181 HydrophobicContact CD1-CD1 4.48Å; Y175-L181 HydrophobicContact CE1-CB 4.07Å; Y175-L181 HydrophobicContact CE1-CD1 4.03Å; Y175-L181 HydrophobicContact CE2-CD1 4.33Å
176T79.5Confident68.9Low49 Ų49125 Ų12530%0.30168%0.678SS.*  trans-72.4163.2171.363.30000111.2S178 G179 R180 V182T176-S178 PolarHBondContact O-N 3.3Å; T176-S178 PolarHBondContact OG1-N 3.4Å; T176-S178 PolarHBondContact OG1-OG 2.99Å; T176-G179 PolarHBondContact O-N 3.01Å; T176-R180 HydrophobicContact CG2-CB 4.25Å; T176-R180 PolarHBondContact N-O 2.95Å; T176-R180 WeakPolarHBondContact OG1-CB 3.45Å; T176-R180 PolarHBondContact OG1-N 3.12Å; T176-V182 HydrophobicContact CG2-CG2 4Å
177P66.5Low70.1Confident149 Ų149128.6 Ų128.697%0.96868%0.684SS**THydrogen-bonded Turntrans-55.7-20.1171.6-2635000114.4
178S80.5Confident71.2Confident104 Ų104132 Ų13273%0.72771%0.705SS**THydrogen-bonded Turntrans-916.3174.269.50000114.2T176T176-S178 PolarHBondContact O-N 3.3Å; T176-S178 PolarHBondContact OG1-N 3.4Å; T176-S178 PolarHBondContact OG1-OG 2.99Å
179G80.8Confident72.4Confident53 Ų53131.3 Ų131.355%0.54670%0.702SS.*SBendtrans8310.9177.800000116.3Y175 T176Y175-G179 WeakPolarHBondContact CD1-O 3.21Å; T176-G179 PolarHBondContact O-N 3.01Å
180R75.8Confident73.7Confident195 Ų195129.1 Ų129.174%0.73669%0.692SS**  trans-86.4130.9-177.9-157.6178.5-169-169.13.2111.1Y175 T176 V182Y175-R180 CarbonylContact C-O 3.55Å; Y175-R180 VanDerWaalsContact CA-O 3.3Å; Y175-R180 WeakPolarHBondContact CA-O 3.48Å; T176-R180 HydrophobicContact CG2-CB 4.25Å; T176-R180 PolarHBondContact N-O 2.95Å; T176-R180 WeakPolarHBondContact OG1-CB 3.45Å; T176-R180 PolarHBondContact OG1-N 3.12Å; R180-V182 PolarHBondContact O-N 3.03Å
181L84.6Confident74.8Confident76 Ų76127.6 Ų127.640%0.39869%0.69SS.*BIsolated β-bridgetrans-66.6123.3175.2-177.570.3000110.8R173 Y175 K183R173-L181 HydrophobicContact CB-CD1 3.5Å; R173-L181 HydrophobicContact CG-CD1 3.79Å; Y175-L181 HydrophobicContact CD1-CB 4.33Å; Y175-L181 HydrophobicContact CD1-CD1 4.48Å; Y175-L181 HydrophobicContact CE1-CB 4.07Å; Y175-L181 HydrophobicContact CE1-CD1 4.03Å; Y175-L181 HydrophobicContact CE2-CD1 4.33Å; L181-K183 PolarHBondContact O-N 3Å
182V81.3Confident75.8Confident73 Ų73127.9 Ų127.944%0.44268%0.684SS.*  trans-80.1112.8175.7-178.20000108.8F174 T176 R180F174-V182 HydrophobicContact CB-CB 4.01Å; F174-V182 HydrophobicContact CB-CG2 4.23Å; F174-V182 PolarHBondContact O-N 3.48Å; T176-V182 HydrophobicContact CG2-CG2 4Å; R180-V182 PolarHBondContact O-N 3.03Å
183K79.7Confident76.7Confident182 Ų182129.5 Ų129.579%0.79169%0.687SS**PPolyproline II helixtrans-84.8129.4168.4-66.4-175.1177.9-177.30108.5L181L181-K183 PolarHBondContact O-N 3Å
184K75.8Confident76.9Confident170 Ų170126 Ų12674%0.73969%0.687SS**PPolyproline II helixtrans-71.4142.5169.2-68.9-175.5176.8-177.70109.1
185P75.5Confident76.8Confident118 Ų118126.9 Ų126.977%0.76670%0.701SS**PPolyproline II helixtrans-61.3140167.726.5-31.3000109.3
186S72.9Confident76.3Confident106 Ų106126.5 Ų126.574%0.74172%0.715SS**  trans-85112.9170.245.40000108.5
187D70.9Confident76Confident164 Ų164132.9 Ų132.988%0.87775%0.749SS**  trans-66.7131167.1-74.2-27.9000108.5
188T67.6Low76.8Confident205 Ų205131.5 Ų131.5100%1.25873%0.729SS**  trans-1030171.5-38.10000108.1

Retrieved 188 of 188 residues in 125.6 ms (Link to these results)