A0A077Z8T8_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z8T8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 140 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
1M32.5Very low56.9Low243 Ų243110.2 Ų110.2100%1.19764%0.639SS**  0880-6715497.400107.1S3M1-S3 PolarHBondContact O-N 3.31Å
2Q41.6Very low59.5Low190 Ų190101.9 Ų101.989%0.88859%0.59SS**  trans-73.4121.8165.4-65-172.222.800104.9N4Q2-N4 PolarHBondContact O-N 3.12Å
3S40.4Very low61.6Low109 Ų109100.4 Ų100.476%0.76257%0.574SS**  trans-48.5134.3-179.839.90000109M1 G5M1-S3 PolarHBondContact O-N 3.31Å; S3-G5 PolarHBondContact O-N 3.12Å
4N44Very low63.4Low164 Ų16497.3 Ų97.388%0.87758%0.575SS**  trans-67.754.9160.8-70.2-20.3000108.3Q2 V6Q2-N4 PolarHBondContact O-N 3.12Å; N4-V6 PolarHBondContact O-N 3.46Å
5G46.7Very low65.1Low49 Ų4998.8 Ų98.851%0.50557%0.574SS.*  trans-61.1109.5171.900000104.9S3 T7S3-G5 PolarHBondContact O-N 3.12Å; G5-T7 PolarHBondContact O-N 3.29Å
6V49.6Very low66.6Low116 Ų11698.7 Ų98.770%0.70358%0.577SS**  trans-50.398159.2178.60000104.4N4 L8N4-V6 PolarHBondContact O-N 3.46Å; V6-L8 VanDerWaalsContact C-N 3.27Å; V6-L8 PolarHBondContact O-N 3.27Å
7T54.8Low68.1Low70 Ų7095.9 Ų95.943%0.42956%0.558SS.*  trans-62.7105.5167.534.90000103.1G5 E12G5-T7 PolarHBondContact O-N 3.29Å; T7-E12 WeakPolarHBondContact CB-OE1 3.43Å; T7-E12 WeakPolarHBondContact O-CG 3.48Å; T7-E12 PolarHBondContact OG1-OE1 3.2Å
8L64.5Low69.4Low167 Ų16798.2 Ų98.287%0.87457%0.565SS**  trans-95.191.8173.8-168.878.3000104.7V6V6-L8 VanDerWaalsContact C-N 3.27Å; V6-L8 PolarHBondContact O-N 3.27Å
9G78.9Confident70.7Confident38 Ų3894.5 Ų94.539%0.39254%0.544SS..  trans-141.1170.7-172.600000111.3E12G9-E12 WeakPolarHBondContact O-CB 3.29Å; G9-E12 WeakPolarHBondContact O-CG 3.47Å; G9-E12 PolarHBondContact O-N 2.65Å
10I86.4Confident71.9Confident54 Ų5492.2 Ų92.228%0.27753%0.533SS..THydrogen-bonded Turntrans-63.2139.6173.560.6167000109.8E12 H17 L45 L46 P47I10-E12 VanDerWaalsContact C-N 3.29Å; I10-E12 PolarHBondContact O-N 3.35Å; I10-H17 HydrophobicContact CB-CB 4.26Å; I10-H17 WeakPolarHBondContact CG2-ND1 3.38Å; I10-L45 HydrophobicContact CD1-CB 3.37Å; I10-L45 WeakPolarHBondContact CD1-O 3.37Å; I10-L46 HydrophobicContact CB-CD2 4.43Å; I10-L46 HydrophobicContact CD1-CD2 4.15Å; I10-L46 HydrophobicContact CG1-CD2 3.98Å; I10-P47 WeakPolarHBondContact O-CD 3.21Å
11G86.8Confident73Confident12 Ų1296.6 Ų96.612%0.12455%0.546CS..THydrogen-bonded Turntrans80.6-1.3-179.200000116.2G14 Q15G11-G14 PolarHBondContact O-N 2.83Å; G11-G14 VanDerWaalsContact O-N 3.16Å; G11-Q15 VanDerWaalsContact CA-O 3.26Å; G11-Q15 WeakPolarHBondContact CA-O 3.42Å
12E87.2Confident76Confident11 Ų1191.6 Ų91.65%0.05152%0.52CS..G310 helixtrans-61.8144.3-179.4-76.8-69.7162.200112.8T7 G9 I10 G14 Q15 C50 S51T7-E12 WeakPolarHBondContact CB-OE1 3.43Å; T7-E12 WeakPolarHBondContact O-CG 3.48Å; T7-E12 PolarHBondContact OG1-OE1 3.2Å; G9-E12 WeakPolarHBondContact O-CB 3.29Å; G9-E12 WeakPolarHBondContact O-CG 3.47Å; G9-E12 PolarHBondContact O-N 2.65Å; I10-E12 VanDerWaalsContact C-N 3.29Å; I10-E12 PolarHBondContact O-N 3.35Å; E12-G14 PolarHBondContact O-N 2.84Å; E12-Q15 WeakPolarHBondContact O-CB 3.09Å; E12-Q15 VanDerWaalsContact O-CG 3.27Å; E12-Q15 WeakPolarHBondContact O-CG 3.44Å; E12-Q15 PolarHBondContact O-N 3.17Å; E12-C50 WeakPolarHBondContact OE1-CA 3.17Å; E12-C50 WeakPolarHBondContact OE1-CB 3.31Å; E12-S51 WeakPolarHBondContact OE2-CB 3.48Å; E12-S51 PolarHBondContact OE2-N 3.15Å
13H87.5Confident78.5Confident82 Ų8285.1 Ų85.138%0.3849%0.489SS..G310 helixtrans53.820.4-174.3-56.4-69.3000113.8S51 N53H13-S51 VanDerWaalsContact CA-O 3.28Å; H13-S51 WeakPolarHBondContact CA-O 3.13Å; H13-S51 PolarHBondContact N-O 3.35Å; H13-N53 PolarHBondContact O-ND2 2.8Å
14G86.4Confident81.1Confident57 Ų5783.5 Ų83.559%0.58848%0.475SS*.G310 helixtrans74.619.3-174.300000114.5G11 E12G11-G14 PolarHBondContact O-N 2.83Å; G11-G14 VanDerWaalsContact O-N 3.16Å; E12-G14 PolarHBondContact O-N 2.84Å
15Q89.2Confident83.5Confident120 Ų12081.2 Ų81.256%0.56147%0.467SS*.  trans-70139.6176.3-67.2-57.4-52.300111.6G11 E12G11-Q15 VanDerWaalsContact CA-O 3.26Å; G11-Q15 WeakPolarHBondContact CA-O 3.42Å; E12-Q15 WeakPolarHBondContact O-CB 3.09Å; E12-Q15 VanDerWaalsContact O-CG 3.27Å; E12-Q15 WeakPolarHBondContact O-CG 3.44Å; E12-Q15 PolarHBondContact O-N 3.17Å
16P89.5Confident85.9Confident97 Ų9782.2 Ų82.263%0.6346%0.46SS*.  trans-67143.5176.829.1-34.7000110.9I18P16-I18 HydrophobicContact CB-CD1 4.3Å
17H90.8Very high88.1Confident52 Ų5282 Ų8224%0.24146%0.461CS..  trans-96.9115.9168.6-17857.8000109.8I10 V42I10-H17 HydrophobicContact CB-CB 4.26Å; I10-H17 WeakPolarHBondContact CG2-ND1 3.38Å; H17-V42 HydrophobicContact CB-CG1 3.96Å
18I92.5Very high90.1Very high136 Ų13682.7 Ų82.770%0.69746%0.462SS*.PPolyproline II helixtrans-93.3120.2-179.6-52.1-57000109.3P16P16-I18 HydrophobicContact CB-CD1 4.3Å
19L93.3Very high91.6Very high29 Ų2975.6 Ų75.615%0.15243%0.425CS..PPolyproline II helixtrans-68.2144.2176.1-63.8-176.5000111.2Q23 V29 Y41 V42 L45L19-Q23 HydrophobicContact CB-CB 4.05Å; L19-Q23 HydrophobicContact CD2-CB 4.32Å; L19-V29 HydrophobicContact CD1-CG1 4.25Å; L19-V29 HydrophobicContact CD1-CG2 4.09Å; L19-Y41 HydrophobicContact CD1-CD1 3.93Å; L19-Y41 HydrophobicContact CD1-CE1 4.32Å; L19-Y41 HydrophobicContact CD2-CD1 3.86Å; L19-Y41 HydrophobicContact CD2-CE1 3.72Å; L19-V42 HydrophobicContact CD1-CG2 3.99Å; L19-V42 HydrophobicContact CD2-CG2 3.72Å; L19-V42 HydrophobicContact CG-CG2 3.8Å; L19-L45 HydrophobicContact CD2-CD1 4.39Å
20S94.5Very high92.4Very high47 Ų4778.3 Ų78.333%0.32943%0.431SS..PPolyproline II helixtrans-67.5159.4170.279.20000111Q22 Q23 T24S20-Q22 PolarHBondContact O-N 3.22Å; S20-Q22 PolarHBondContact OG-OE1 2.76Å; S20-Q23 PolarHBondContact O-N 3.46Å; S20-Q23 WeakPolarHBondContact OG-CG 3.08Å; S20-Q23 PolarHBondContact OG-N 2.72Å; S20-Q23 PolarHBondContact OG-OE1 3.22Å; S20-T24 PolarHBondContact O-N 3.19Å; S20-T24 PolarHBondContact O-OG1 2.92Å; S20-T24 VanDerWaalsContact O-OG1 3.05Å
21K95.5Very high92.8Very high185 Ų18581.2 Ų81.280%0.80444%0.441SS*.Hα-helixtrans-55.4-36.2176.5-69.8-176.6178-179.60112.3
22Q95.7Very high93.1Very high139 Ų13981.6 Ų81.665%0.6544%0.441SS*.Hα-helixtrans-70-36177.4-59.184.2-4.900112.1S20 V25S20-Q22 PolarHBondContact O-N 3.22Å; S20-Q22 PolarHBondContact OG-OE1 2.76Å; Q22-V25 WeakPolarHBondContact O-CG2 3.28Å
23Q95.2Very high93.4Very high53 Ų5387.4 Ų87.425%0.24846%0.463CS..Hα-helixtrans-71.8-40.3177-71.8172.6-50.200111.5L19 S20 V25 L26 V29L19-Q23 HydrophobicContact CB-CB 4.05Å; L19-Q23 HydrophobicContact CD2-CB 4.32Å; S20-Q23 PolarHBondContact O-N 3.46Å; S20-Q23 WeakPolarHBondContact OG-CG 3.08Å; S20-Q23 PolarHBondContact OG-N 2.72Å; S20-Q23 PolarHBondContact OG-OE1 3.22Å; Q23-V25 PolarHBondContact O-N 3.33Å; Q23-L26 HydrophobicContact CB-CD1 4.48Å; Q23-L26 VanDerWaalsContact O-CB 3.28Å; Q23-L26 WeakPolarHBondContact O-CB 3.31Å; Q23-L26 WeakPolarHBondContact O-CG 3.19Å; Q23-L26 PolarHBondContact O-N 3.13Å; Q23-V29 WeakPolarHBondContact O-CG2 3.43Å
24T93.9Very high93.6Very high76 Ų7693.4 Ų93.447%0.46648%0.482SS..Hα-helixtrans-60-28.8-178.9-55.40000113.1S20 L26S20-T24 PolarHBondContact O-N 3.19Å; S20-T24 PolarHBondContact O-OG1 2.92Å; S20-T24 VanDerWaalsContact O-OG1 3.05Å; T24-L26 VanDerWaalsContact C-N 3.34Å
25V95.1Very high93.8Very high116 Ų11696.3 Ų96.370%0.70348%0.48SS*.THydrogen-bonded Turntrans-87.1-0.3178.7-60.40000113.9Q22 Q23Q22-V25 WeakPolarHBondContact O-CG2 3.28Å; Q23-V25 PolarHBondContact O-N 3.33Å
26L96.8Very high93.6Very high70 Ų7092.4 Ų92.437%0.36646%0.463SS..  trans-67.1128176.7-67.4173.4000109.7Q23 T24 L28 V29 Y41Q23-L26 HydrophobicContact CB-CD1 4.48Å; Q23-L26 VanDerWaalsContact O-CB 3.28Å; Q23-L26 WeakPolarHBondContact O-CB 3.31Å; Q23-L26 WeakPolarHBondContact O-CG 3.19Å; Q23-L26 PolarHBondContact O-N 3.13Å; T24-L26 VanDerWaalsContact C-N 3.34Å; L26-L28 PolarHBondContact O-N 3.17Å; L26-V29 HydrophobicContact CB-CG2 4.22Å; L26-V29 WeakPolarHBondContact O-CB 3.46Å; L26-V29 PolarHBondContact O-N 2.98Å; L26-Y41 HydrophobicContact CD1-CE2 4.3Å
27P96.6Very high93.7Very high111 Ų11190.4 Ų90.472%0.72146%0.461SS*.Hα-helixtrans-55.9-26.3179.5-2734.5000113.9V29 K31P27-V29 VanDerWaalsContact C-N 3.32Å; P27-V29 PolarHBondContact O-N 3.41Å; P27-K31 WeakPolarHBondContact O-CB 3.41Å; P27-K31 PolarHBondContact O-N 2.76Å; P27-K31 VanDerWaalsContact O-N 3.13Å
28L95.9Very high93.6Very high85 Ų8591 Ų9145%0.44546%0.461SS..Hα-helixtrans-65.5-32178.1-173.262.4000112.9L26 L32 Y41L26-L28 PolarHBondContact O-N 3.17Å; L28-L32 HydrophobicContact CD1-CD1 3.95Å; L28-L32 HydrophobicContact CD1-CG 3.96Å; L28-L32 HydrophobicContact CD2-CD1 4.41Å; L28-L32 HydrophobicContact CG-CD1 3.83Å; L28-L32 HydrophobicContact CG-CG 4.24Å; L28-L32 WeakPolarHBondContact O-CB 3.5Å; L28-L32 WeakPolarHBondContact O-CG 3.42Å; L28-L32 PolarHBondContact O-N 3.01Å; L28-Y41 HydrophobicContact CD2-CD2 4.02Å; L28-Y41 HydrophobicContact CD2-CE2 4.22Å; L28-Y41 HydrophobicContact CG-CD2 4.25Å
29V95.8Very high93.6Very high17 Ų1786.5 Ų86.510%0.10344%0.442CS..Hα-helixtrans-62.6-53.3179.4173.60000110.1L19 Q23 L26 P27 K31 L32 Y33 Y41L19-V29 HydrophobicContact CD1-CG1 4.25Å; L19-V29 HydrophobicContact CD1-CG2 4.09Å; Q23-V29 WeakPolarHBondContact O-CG2 3.43Å; L26-V29 HydrophobicContact CB-CG2 4.22Å; L26-V29 WeakPolarHBondContact O-CB 3.46Å; L26-V29 PolarHBondContact O-N 2.98Å; P27-V29 VanDerWaalsContact C-N 3.32Å; P27-V29 PolarHBondContact O-N 3.41Å; V29-K31 PolarHBondContact O-N 2.65Å; V29-L32 PolarHBondContact O-N 3.07Å; V29-Y33 WeakPolarHBondContact O-CB 3.35Å; V29-Y33 PolarHBondContact O-N 2.95Å; V29-Y41 HydrophobicContact CG2-CD1 3.9Å; V29-Y41 HydrophobicContact CG2-CD2 4.1Å; V29-Y41 HydrophobicContact CG2-CE1 4.39Å; V29-Y41 HydrophobicContact CG2-CG 3.74Å
30D95.9Very high93.4Very high96 Ų9685.1 Ų85.151%0.51344%0.435SS..Hα-helixtrans-65.5-39.6179.5-81.6-6.1000112.4Y33 R34D30-Y33 PolarHBondContact O-N 3.26Å; D30-R34 WeakPolarHBondContact O-CG 3.48Å; D30-R34 PolarHBondContact O-N 2.75Å
31K95.6Very high93.3Very high115 Ų11584.6 Ų84.650%0.543%0.426SS..Hα-helixtrans-58.2-55.3176.5-179.7-174.8170.6-173.90110.9P27 V29 Y33 R34 E35P27-K31 WeakPolarHBondContact O-CB 3.41Å; P27-K31 PolarHBondContact O-N 2.76Å; P27-K31 VanDerWaalsContact O-N 3.13Å; V29-K31 PolarHBondContact O-N 2.65Å; K31-Y33 VanDerWaalsContact C-N 3.25Å; K31-Y33 PolarHBondContact O-N 2.77Å; K31-R34 PolarHBondContact O-N 3.01Å; K31-E35 WeakPolarHBondContact CE-OE1 3.47Å; K31-E35 IonicContact NZ-OE1 3.89Å; K31-E35 WeakPolarHBondContact O-CG 3.24Å; K31-E35 PolarHBondContact O-N 2.89Å
32L92Very high93.2Very high20 Ų2076.9 Ų76.911%0.10539%0.394CS..Hα-helixtrans-64.8-31.7-179-70.7175000111.9L28 V29 N36L28-L32 HydrophobicContact CD1-CD1 3.95Å; L28-L32 HydrophobicContact CD1-CG 3.96Å; L28-L32 HydrophobicContact CD2-CD1 4.41Å; L28-L32 HydrophobicContact CG-CD1 3.83Å; L28-L32 HydrophobicContact CG-CG 4.24Å; L28-L32 WeakPolarHBondContact O-CB 3.5Å; L28-L32 WeakPolarHBondContact O-CG 3.42Å; L28-L32 PolarHBondContact O-N 3.01Å; V29-L32 PolarHBondContact O-N 3.07Å; L32-N36 PolarHBondContact O-N 3.32Å; L32-N36 PolarHBondContact O-ND2 2.84Å
33Y93.1Very high92.9Very high132 Ų13272.4 Ų72.452%0.51838%0.378SS..Hα-helixtrans-65.4-45.1174.5-171-94.3000112.4V29 D30 K31 G37 Y38V29-Y33 WeakPolarHBondContact O-CB 3.35Å; V29-Y33 PolarHBondContact O-N 2.95Å; D30-Y33 PolarHBondContact O-N 3.26Å; K31-Y33 VanDerWaalsContact C-N 3.25Å; K31-Y33 PolarHBondContact O-N 2.77Å; Y33-G37 WeakPolarHBondContact O-CA 3.44Å; Y33-G37 PolarHBondContact O-N 3.41Å; Y33-Y38 WeakPolarHBondContact CA-O 3.47Å; Y33-Y38 VanDerWaalsContact CD2-C 3.43Å
34R93.2Very high92.5Very high208 Ų20874.2 Ų74.279%0.78539%0.39SS*.Hα-helixtrans-68-35.4178.5-70.1175.6-173.2-137.23.4113D30 K31D30-R34 WeakPolarHBondContact O-CG 3.48Å; D30-R34 PolarHBondContact O-N 2.75Å; K31-R34 PolarHBondContact O-N 3.01Å
35E89.4Confident92.3Very high118 Ų11874.1 Ų74.155%0.55139%0.386SS*.Hα-helixtrans-72.1-35.3-179.7-73.5173.3173.100112.8K31K31-E35 WeakPolarHBondContact CE-OE1 3.47Å; K31-E35 IonicContact NZ-OE1 3.89Å; K31-E35 WeakPolarHBondContact O-CG 3.24Å; K31-E35 PolarHBondContact O-N 2.89Å
36N86.3Confident91.9Very high38 Ų3871.2 Ų71.220%0.20337%0.366CS..Hα-helixtrans-112.1-15.1-172.5-53-74.2000114.3L32 Y38 K105L32-N36 PolarHBondContact O-N 3.32Å; L32-N36 PolarHBondContact O-ND2 2.84Å; N36-Y38 HydrophobicContact CB-CD1 3.94Å; N36-Y38 HydrophobicContact CB-CD2 4.44Å; N36-Y38 HydrophobicContact CB-CE1 3.64Å; N36-Y38 HydrophobicContact CB-CE2 4.11Å; N36-Y38 HydrophobicContact CB-CG 4.35Å; N36-Y38 WeakPolarHBondContact O-CD1 3.32Å; N36-Y38 PolarHBondContact O-N 3.04Å; N36-K105 PolarHBondContact OD1-NZ 2.83Å
37G90.2Very high91.3Very high56 Ų5670 Ų7058%0.57736%0.362SS*.SBendtrans775.5-174.900000114.8Y33Y33-G37 WeakPolarHBondContact O-CA 3.44Å; Y33-G37 PolarHBondContact O-N 3.41Å
38Y90.1Very high90.5Very high64 Ų6468 Ų6825%0.25135%0.345SS..SBendtrans-147.7172.4176.862.1-100.6000110.3Y33 N36 G40 E81 H82Y33-Y38 WeakPolarHBondContact CA-O 3.47Å; Y33-Y38 VanDerWaalsContact CD2-C 3.43Å; N36-Y38 HydrophobicContact CB-CD1 3.94Å; N36-Y38 HydrophobicContact CB-CD2 4.44Å; N36-Y38 HydrophobicContact CB-CE1 3.64Å; N36-Y38 HydrophobicContact CB-CE2 4.11Å; N36-Y38 HydrophobicContact CB-CG 4.35Å; N36-Y38 WeakPolarHBondContact O-CD1 3.32Å; N36-Y38 PolarHBondContact O-N 3.04Å; Y38-G40 VanDerWaalsContact C-N 3.29Å; Y38-G40 PolarHBondContact O-N 3.15Å; Y38-E81 WeakPolarHBondContact CE1-OE1 3.43Å; Y38-E81 PolarHBondContact OH-OE1 3.38Å; Y38-H82 PolarHBondContact OH-CD2 3.14Å
39S91.2Very high89.8Confident42 Ų4270.5 Ų70.529%0.29435%0.35SS..  trans-71.480.4-179.6-170.10000112.5Y41 V42 S43S39-Y41 PolarHBondContact O-N 3.43Å; S39-V42 PolarHBondContact O-N 2.9Å; S39-V42 WeakPolarHBondContact OG-CB 3.43Å; S39-V42 WeakPolarHBondContact OG-CG2 3.07Å; S39-V42 PolarHBondContact OG-N 2.89Å; S39-S43 WeakPolarHBondContact O-CB 3.42Å; S39-S43 PolarHBondContact O-N 3.48Å
40G90.3Very high89.1Confident0 Ų070.5 Ų70.50%035%0.35CS..Hα-helixtrans-60.1-32.5175.500000112.2Y38 S43 N44Y38-G40 VanDerWaalsContact C-N 3.29Å; Y38-G40 PolarHBondContact O-N 3.15Å; G40-S43 PolarHBondContact O-N 3.16Å; G40-N44 WeakPolarHBondContact O-CB 3.02Å; G40-N44 PolarHBondContact O-N 2.94Å; G40-N44 PolarHBondContact O-ND2 3.39Å; G40-N44 PolarHBondContact O-OD1 3.05Å
41Y92.6Very high88.4Confident36 Ų3668.6 Ų68.614%0.14134%0.344CS..Hα-helixtrans-60.9-50.7174.1-176.5-92.7000111.9L19 L26 L28 V29 S39 N44 L45L19-Y41 HydrophobicContact CD1-CD1 3.93Å; L19-Y41 HydrophobicContact CD1-CE1 4.32Å; L19-Y41 HydrophobicContact CD2-CD1 3.86Å; L19-Y41 HydrophobicContact CD2-CE1 3.72Å; L26-Y41 HydrophobicContact CD1-CE2 4.3Å; L28-Y41 HydrophobicContact CD2-CD2 4.02Å; L28-Y41 HydrophobicContact CD2-CE2 4.22Å; L28-Y41 HydrophobicContact CG-CD2 4.25Å; V29-Y41 HydrophobicContact CG2-CD1 3.9Å; V29-Y41 HydrophobicContact CG2-CD2 4.1Å; V29-Y41 HydrophobicContact CG2-CE1 4.39Å; V29-Y41 HydrophobicContact CG2-CG 3.74Å; S39-Y41 PolarHBondContact O-N 3.43Å; Y41-N44 PolarHBondContact O-N 2.8Å; Y41-L45 HydrophobicContact CD1-CD1 4.04Å; Y41-L45 HydrophobicContact CE1-CD1 3.58Å; Y41-L45 HydrophobicContact CE1-CG 4.38Å; Y41-L45 WeakPolarHBondContact O-CG 3.48Å; Y41-L45 PolarHBondContact O-N 2.79Å
42V91.9Very high87.7Confident23 Ų2366.1 Ų66.114%0.13934%0.339CS..Hα-helixtrans-65.2-42.5177172.40000110.6H17 L19 S39 N44 L45 L46H17-V42 HydrophobicContact CB-CG1 3.96Å; L19-V42 HydrophobicContact CD1-CG2 3.99Å; L19-V42 HydrophobicContact CD2-CG2 3.72Å; L19-V42 HydrophobicContact CG-CG2 3.8Å; S39-V42 PolarHBondContact O-N 2.9Å; S39-V42 WeakPolarHBondContact OG-CB 3.43Å; S39-V42 WeakPolarHBondContact OG-CG2 3.07Å; S39-V42 PolarHBondContact OG-N 2.89Å; V42-N44 VanDerWaalsContact C-N 3.27Å; V42-N44 PolarHBondContact O-N 3.15Å; V42-L45 WeakPolarHBondContact O-CB 3.39Å; V42-L45 PolarHBondContact O-N 3.11Å; V42-L46 PolarHBondContact O-N 3.2Å
43S88.9Confident87.5Confident44 Ų4469.5 Ų69.531%0.30836%0.357SS..Hα-helixtrans-54.1-44.2177.9-166.40000112S39 G40 L45 L46S39-S43 WeakPolarHBondContact O-CB 3.42Å; S39-S43 PolarHBondContact O-N 3.48Å; G40-S43 PolarHBondContact O-N 3.16Å; S43-L45 VanDerWaalsContact C-N 3.29Å; S43-L45 PolarHBondContact O-N 3.48Å; S43-L46 WeakPolarHBondContact O-CB 3.23Å; S43-L46 PolarHBondContact O-N 2.96Å; S43-L46 VanDerWaalsContact O-N 3.15Å
44N88Confident87.3Confident92 Ų9267.1 Ų67.149%0.49235%0.353SS..Hα-helixtrans-69.8-22.4179.1-68.5-13.2000114G40 Y41 V42G40-N44 WeakPolarHBondContact O-CB 3.02Å; G40-N44 PolarHBondContact O-N 2.94Å; G40-N44 PolarHBondContact O-ND2 3.39Å; G40-N44 PolarHBondContact O-OD1 3.05Å; Y41-N44 PolarHBondContact O-N 2.8Å; V42-N44 VanDerWaalsContact C-N 3.27Å; V42-N44 PolarHBondContact O-N 3.15Å
45L89.6Confident87.2Confident73 Ų7363.9 Ų63.938%0.38236%0.356SS..Hα-helixtrans-79-23.4174-64.5175.8000111.8I10 L19 Y41 V42 S43I10-L45 HydrophobicContact CD1-CB 3.37Å; I10-L45 WeakPolarHBondContact CD1-O 3.37Å; L19-L45 HydrophobicContact CD2-CD1 4.39Å; Y41-L45 HydrophobicContact CD1-CD1 4.04Å; Y41-L45 HydrophobicContact CE1-CD1 3.58Å; Y41-L45 HydrophobicContact CE1-CG 4.38Å; Y41-L45 WeakPolarHBondContact O-CG 3.48Å; Y41-L45 PolarHBondContact O-N 2.79Å; V42-L45 WeakPolarHBondContact O-CB 3.39Å; V42-L45 PolarHBondContact O-N 3.11Å; S43-L45 VanDerWaalsContact C-N 3.29Å; S43-L45 PolarHBondContact O-N 3.48Å
46L86.5Confident87.4Confident55 Ų5564 Ų6429%0.28835%0.352SS..SBendtrans-66.4139.3-176.4-66.7177.6000110.9I10 V42 S43I10-L46 HydrophobicContact CB-CD2 4.43Å; I10-L46 HydrophobicContact CD1-CD2 4.15Å; I10-L46 HydrophobicContact CG1-CD2 3.98Å; V42-L46 PolarHBondContact O-N 3.2Å; S43-L46 WeakPolarHBondContact O-CB 3.23Å; S43-L46 PolarHBondContact O-N 2.96Å; S43-L46 VanDerWaalsContact O-N 3.15Å
47P83.9Confident87.8Confident45 Ų4569.5 Ų69.529%0.29237%0.374SS..  trans-67.6151.6175.629.5-35.4000111.4I10 Y49 C50 R85I10-P47 WeakPolarHBondContact O-CD 3.21Å; P47-Y49 WeakPolarHBondContact CB-O 3.32Å; P47-Y49 VanDerWaalsContact CG-O 3.3Å; P47-Y49 WeakPolarHBondContact CG-O 3.39Å; P47-Y49 PolarHBondContact O-N 3.13Å; P47-C50 HydrophobicContact CG-CB 4.16Å; P47-R85 PolarHBondContact O-NE 3.21Å; P47-R85 PolarHBondContact O-NH1 3.43Å; P47-R85 PolarHBondContact O-NH2 2.82Å
48L80.7Confident88Confident68 Ų6876.5 Ų76.536%0.35638%0.383SS..SBendtrans-65.6-22.9174.9-64.6172.2000112.8F84 R85 Y88L48-F84 HydrophobicContact CD2-CB 3.61Å; L48-R85 VanDerWaalsContact C-NE 3.25Å; L48-R85 WeakPolarHBondContact O-CD 3.19Å; L48-R85 PolarHBondContact O-NE 2.79Å; L48-R85 PolarHBondContact O-NH2 2.57Å; L48-Y88 HydrophobicContact CB-CD2 4.04Å; L48-Y88 HydrophobicContact CB-CE2 4.34Å; L48-Y88 HydrophobicContact CB-CG 4.38Å; L48-Y88 HydrophobicContact CD1-CD2 4.2Å; L48-Y88 HydrophobicContact CD1-CE2 3.64Å; L48-Y88 HydrophobicContact CD2-CD2 4.06Å; L48-Y88 HydrophobicContact CD2-CE2 4.09Å; L48-Y88 HydrophobicContact CG-CD2 4.32Å; L48-Y88 HydrophobicContact CG-CE2 4.24Å
49Y80.8Confident88.2Confident139 Ų13976 Ų7655%0.54539%0.392SS..  trans-118.9126.8172.1-62.5-80.6000109.6P47 Y88P47-Y49 WeakPolarHBondContact CB-O 3.32Å; P47-Y49 VanDerWaalsContact CG-O 3.3Å; P47-Y49 WeakPolarHBondContact CG-O 3.39Å; P47-Y49 PolarHBondContact O-N 3.13Å; Y49-Y88 HydrophobicContact CE1-CD1 4.05Å; Y49-Y88 AromaticContact CE2-CD1 3.93Å; Y49-Y88 HydrophobicContact CE2-CD1 3.93Å; Y49-Y88 HydrophobicContact CE2-CE1 4.26Å; Y49-Y88 AromaticContact CZ-CD1 3.46Å; Y49-Y88 VanDerWaalsContact CZ-CD1 3.46Å; Y49-Y88 WeakPolarHBondContact OH-CD1 3.07Å
50C79.9Confident88.4Confident17 Ų1776.5 Ų76.512%0.11540%0.395CS..  trans-157.1140175.9850000106.9E12 P47 R85E12-C50 WeakPolarHBondContact OE1-CA 3.17Å; E12-C50 WeakPolarHBondContact OE1-CB 3.31Å; P47-C50 HydrophobicContact CG-CB 4.16Å; C50-R85 PolarHBondContact SG-NH1 3.13Å; C50-R85 VanDerWaalsContact SG-NH1 3.44Å; C50-R85 PolarHBondContact SG-NH2 3.45Å
51S82.4Confident88.6Confident56 Ų5680.7 Ų80.739%0.39242%0.417SS..  trans-72.2142.5175.4-170.10000109.1E12 H13E12-S51 WeakPolarHBondContact OE2-CB 3.48Å; E12-S51 PolarHBondContact OE2-N 3.15Å; H13-S51 VanDerWaalsContact CA-O 3.28Å; H13-S51 WeakPolarHBondContact CA-O 3.13Å; H13-S51 PolarHBondContact N-O 3.35Å
52T81.7Confident88.7Confident62 Ų6286.6 Ų86.638%0.3845%0.446SS..  trans-118.4142.8166.9570000108.5D54 R89T52-D54 PolarHBondContact O-N 3.36Å; T52-R89 PolarHBondContact OG1-NH2 3.34Å
53N86.3Confident88.8Confident91 Ų9192 Ų9249%0.48747%0.468SS..  trans-61.3137.3171.6-69.1-33.7000109.8H13 V55H13-N53 PolarHBondContact O-ND2 2.8Å; N53-V55 PolarHBondContact O-N 3.09Å
54D89.1Confident89Confident83 Ų8399.8 Ų99.844%0.44450%0.496SS..  trans-75104.8172.3-171.7-11.5000109.3T52 R56 L61T52-D54 PolarHBondContact O-N 3.36Å; D54-R56 VanDerWaalsContact CG-NE 3.26Å; D54-R56 PolarHBondContact O-N 3.47Å; D54-R56 WeakPolarHBondContact OD1-CB 3.36Å; D54-R56 WeakPolarHBondContact OD1-CG 3.5Å; D54-R56 IonicContact OD1-CZ 3.13Å; D54-R56 PolarHBondContact OD1-N 3.24Å; D54-R56 IonicContact OD1-NE 2.76Å; D54-R56 PolarHBondContact OD1-NE 3.15Å; D54-R56 IonicContact OD2-CZ 3.65Å; D54-R56 IonicContact OD2-NE 3.45Å; D54-R56 PolarHBondContact OD2-NE 3.18Å; D54-R56 IonicContact OD2-NH2 3.41Å; D54-R56 PolarHBondContact OD2-NH2 3Å; D54-L61 VanDerWaalsContact OD2-CD2 3.22Å; D54-L61 WeakPolarHBondContact OD2-CD2 3.21Å
55V90.9Very high89.1Confident139 Ų139103.5 Ų103.584%0.84250%0.504SS*.  trans-85.66.9-179.9-60.60000113N53 F57N53-V55 PolarHBondContact O-N 3.09Å; V55-F57 PolarHBondContact O-N 2.9Å
56R94Very high89.2Confident122 Ų122104.7 Ų104.746%0.4652%0.517SS..  trans-59.6137177.8-71.1179.3-64.5173.2-1110.3D54 C60 L61D54-R56 VanDerWaalsContact CG-NE 3.26Å; D54-R56 PolarHBondContact O-N 3.47Å; D54-R56 WeakPolarHBondContact OD1-CB 3.36Å; D54-R56 WeakPolarHBondContact OD1-CG 3.5Å; D54-R56 IonicContact OD1-CZ 3.13Å; D54-R56 PolarHBondContact OD1-N 3.24Å; D54-R56 IonicContact OD1-NE 2.76Å; D54-R56 PolarHBondContact OD1-NE 3.15Å; D54-R56 IonicContact OD2-CZ 3.65Å; D54-R56 IonicContact OD2-NE 3.45Å; D54-R56 PolarHBondContact OD2-NE 3.18Å; D54-R56 IonicContact OD2-NH2 3.41Å; D54-R56 PolarHBondContact OD2-NH2 3Å; R56-C60 HydrophobicContact CB-CB 4.18Å; R56-L61 HydrophobicContact CB-CD2 4.02Å; R56-L61 HydrophobicContact CB-CG 4.31Å
57F95.7Very high89.3Confident153 Ų153107.3 Ų107.367%0.67154%0.54SS*.  trans-58.4149172.3-179.4-105.9000111.1V55 A59 C60 L61V55-F57 PolarHBondContact O-N 2.9Å; F57-A59 HydrophobicContact CD1-CB 3.67Å; F57-A59 HydrophobicContact CE1-CB 3.63Å; F57-A59 PolarHBondContact O-N 3.45Å; F57-A59 VanDerWaalsContact O-N 3.07Å; F57-C60 WeakPolarHBondContact O-CA 3.31Å; F57-C60 WeakPolarHBondContact O-CB 2.96Å; F57-C60 PolarHBondContact O-N 3.12Å; F57-L61 PolarHBondContact O-N 3.33Å
58R94.3Very high89.6Confident202 Ų202112.1 Ų112.176%0.76256%0.563SS**THydrogen-bonded Turntrans-53.7-35.8-173.1-169.9167.670.9168.61.3114
59A93.8Very high90.1Very high53 Ų53112.9 Ų112.944%0.43857%0.568SS.*THydrogen-bonded Turntrans-72-29175.800000113.3F57 Q62F57-A59 HydrophobicContact CD1-CB 3.67Å; F57-A59 HydrophobicContact CE1-CB 3.63Å; F57-A59 PolarHBondContact O-N 3.45Å; F57-A59 VanDerWaalsContact O-N 3.07Å; A59-Q62 PolarHBondContact O-N 3.09Å
60C95.8Very high90.6Very high54 Ų54110.7 Ų110.737%0.36557%0.571SS.*G310 helixtrans-74.1-28176.5-61.90000112.1R56 F57 Q62 K63R56-C60 HydrophobicContact CB-CB 4.18Å; F57-C60 WeakPolarHBondContact O-CA 3.31Å; F57-C60 WeakPolarHBondContact O-CB 2.96Å; F57-C60 PolarHBondContact O-N 3.12Å; C60-Q62 PolarHBondContact O-N 3.17Å; C60-K63 WeakPolarHBondContact O-CB 3.22Å; C60-K63 PolarHBondContact O-N 3.35Å; C60-K63 VanDerWaalsContact O-N 3.14Å
61L93.4Very high91.1Very high88 Ų88113.3 Ų113.346%0.46159%0.587SS.*G310 helixtrans-61.9-25.2174.9-70.3174.7000113.2D54 R56 F57D54-L61 VanDerWaalsContact OD2-CD2 3.22Å; D54-L61 WeakPolarHBondContact OD2-CD2 3.21Å; R56-L61 HydrophobicContact CB-CD2 4.02Å; R56-L61 HydrophobicContact CB-CG 4.31Å; F57-L61 PolarHBondContact O-N 3.33Å
62Q94.5Very high91.4Very high159 Ų159114.1 Ų114.174%0.74359%0.589SS**G310 helixtrans-90-6.7179.1-61.7-177.7-1.200113.4A59 C60 K64A59-Q62 PolarHBondContact O-N 3.09Å; C60-Q62 PolarHBondContact O-N 3.17Å; Q62-K64 PolarHBondContact O-N 3.17Å
63K94.1Very high91.6Very high138 Ų138114.3 Ų114.360%0.659%0.591SS**  trans-70.6127.2178.7-66.5-69.5-176.1177.60109.5C60 Y65C60-K63 WeakPolarHBondContact O-CB 3.22Å; C60-K63 PolarHBondContact O-N 3.35Å; C60-K63 VanDerWaalsContact O-N 3.14Å; K63-Y65 HydrophobicContact CB-CE2 4.17Å
64K93.2Very high91.6Very high207 Ų207111.3 Ų111.390%0.958%0.576SS**  trans-94.9135173.7-62.7-175.1-179.1-178.70109.1Q62Q62-K64 PolarHBondContact O-N 3.17Å
65Y89.8Confident91.3Very high170 Ų170109.3 Ų109.367%0.66757%0.566SS**  trans-108.5155.2174.2-61.9-89.1000109.1K63K63-Y65 HydrophobicContact CB-CE2 4.17Å
66C92.1Very high90.7Very high97 Ų97103 Ų10366%0.65553%0.528SS*.  trans-60.4140.7173.1-630000110L69C66-L69 HydrophobicContact CB-CD2 4.42Å; C66-L69 WeakPolarHBondContact O-CG 3.46Å
67S89Confident89.9Confident110 Ų110101.1 Ų101.177%0.76953%0.532SS*.SBendtrans-71-33.7175.555.70000112.3L69S67-L69 PolarHBondContact O-N 3.25Å
68N90.3Very high88.9Confident146 Ų14699.8 Ų99.878%0.78153%0.526SS*.SBendtrans-96.978.9-177.8-60.8-0.9000108.6
69L91.7Very high87.8Confident85 Ų8597.3 Ų97.345%0.44552%0.518SS..PPolyproline II helixtrans-80.7146.5173.3-62.1171000109.4C66 S67 L94C66-L69 HydrophobicContact CB-CD2 4.42Å; C66-L69 WeakPolarHBondContact O-CG 3.46Å; S67-L69 PolarHBondContact O-N 3.25Å; L69-L94 HydrophobicContact CB-CD1 4.25Å; L69-L94 HydrophobicContact CB-CD2 3.67Å; L69-L94 HydrophobicContact CD1-CD1 3.89Å; L69-L94 WeakPolarHBondContact O-CD2 3.36Å
70P90.9Very high86.8Confident93 Ų9395.9 Ų95.960%0.60450%0.502SS*.PPolyproline II helixtrans-64.5150.4172.329.2-34.4000110.1
71P89.7Confident85.7Confident71 Ų7196 Ų9646%0.46150%0.498SS..PPolyproline II helixtrans-63.7153.1170.831.8-36.4000110.2L94 E96P71-L94 CarbonylContact C-O 3.53Å; P71-L94 WeakPolarHBondContact CA-O 3.3Å; P71-E96 HydrophobicContact CB-CB 4.2Å
72V89.1Confident84.5Confident73 Ų7393.5 Ų93.544%0.44248%0.484SS..EExtended strand (participates in β ladder)trans-129.8148-174.9-57.40000111.1L94 E96V72-L94 VanDerWaalsContact CG2-O 3.29Å; V72-L94 WeakPolarHBondContact CG2-O 3.36Å; V72-L94 PolarHBondContact N-O 3.28Å; V72-E96 PolarHBondContact O-N 2.99Å
73T87.1Confident83Confident67 Ų6787.3 Ų87.341%0.41146%0.455SS..EExtended strand (participates in β ladder)trans-95.2128.5168.5-64.80000109.5V75 E97T73-V75 HydrophobicContact CG2-CG2 3.95Å; T73-E97 CarbonylContact C-O 3.57Å; T73-E97 WeakPolarHBondContact CA-O 3.36Å; T73-E97 HydrophobicContact CG2-CB 3.92Å
74V84.7Confident81.7Confident28 Ų2883.1 Ų83.117%0.1744%0.437CS..EExtended strand (participates in β ladder)trans-94.3125.7173.6177.80000108.4V76 I86 L95 E97 V98 L99V74-V76 HydrophobicContact CG1-CG2 4.15Å; V74-I86 HydrophobicContact CG1-CG2 4.24Å; V74-L95 HydrophobicContact CG2-CD2 3.56Å; V74-E97 PolarHBondContact N-O 3.46Å; V74-V98 HydrophobicContact CB-CG2 4.28Å; V74-V98 CarbonylContact O-C 3.54Å; V74-V98 VanDerWaalsContact O-CA 3.31Å; V74-V98 WeakPolarHBondContact O-CA 3.39Å; V74-L99 PolarHBondContact O-N 3.07Å
75V82.7Confident80.8Confident40 Ų4076.1 Ų76.124%0.24241%0.405CS..EExtended strand (participates in β ladder)trans-115.4132.3174.7-1780000110.2T73 P77 L99 F135T73-V75 HydrophobicContact CG2-CG2 3.95Å; V75-P77 WeakPolarHBondContact O-CD 3.06Å; V75-L99 HydrophobicContact CB-CB 4.41Å; V75-L99 HydrophobicContact CG1-CB 4.25Å; V75-L99 HydrophobicContact CG1-CD2 3.93Å; V75-L99 HydrophobicContact CG1-CG 4.17Å; V75-L99 HydrophobicContact CG2-CB 3.89Å; V75-L99 HydrophobicContact CG2-CD2 3.96Å; V75-L99 HydrophobicContact CG2-CG 4.46Å; V75-F135 HydrophobicContact CB-CE2 4.45Å; V75-F135 HydrophobicContact CB-CZ 3.79Å; V75-F135 HydrophobicContact CG1-CE2 4.09Å; V75-F135 HydrophobicContact CG1-CZ 3.75Å; V75-F135 HydrophobicContact CG2-CE1 4.08Å; V75-F135 HydrophobicContact CG2-CZ 3.49Å; V75-F135 VanDerWaalsContact CG2-CZ 3.49Å
76V79.2Confident80.2Confident6 Ų671.1 Ų71.14%0.03639%0.39CS..EExtended strand (participates in β ladder)trans-11792.6-173.8-176.50000107V74 F78 L83 V98 L99 D101V74-V76 HydrophobicContact CG1-CG2 4.15Å; V76-F78 PolarHBondContact O-N 3.02Å; V76-F78 VanDerWaalsContact O-N 3.16Å; V76-L83 HydrophobicContact CB-CD2 4.13Å; V76-L83 HydrophobicContact CG1-CD1 3.75Å; V76-L83 HydrophobicContact CG1-CD2 3.9Å; V76-L83 HydrophobicContact CG1-CG 4.31Å; V76-L83 HydrophobicContact CG2-CD1 4.31Å; V76-L83 HydrophobicContact CG2-CD2 3.22Å; V76-L83 HydrophobicContact CG2-CG 4.36Å; V76-V98 HydrophobicContact CG2-CG1 4.45Å; V76-L99 PolarHBondContact N-O 3.44Å; V76-D101 PolarHBondContact O-N 3.39Å; V76-D101 VanDerWaalsContact O-N 3.15Å
77P76.7Confident79.5Confident84 Ų8466.9 Ų66.955%0.54536%0.36SS..  trans-82.917.3-173.936.1-38.2000112.8V75V75-P77 WeakPolarHBondContact O-CD 3.06Å
78F74.6Confident78.9Confident125 Ų12562.9 Ų62.955%0.54833%0.329SS..SBendtrans-104.8123.8-174.1-64.9-76.3000110.9V76 N80 E81V76-F78 PolarHBondContact O-N 3.02Å; V76-F78 VanDerWaalsContact O-N 3.16Å; F78-N80 PolarHBondContact O-N 2.8Å; F78-E81 HydrophobicContact CB-CB 3.68Å; F78-E81 HydrophobicContact CB-CG 4.25Å
79Y71.2Confident78.5Confident150 Ų15061.9 Ų61.959%0.58831%0.314SS*.THydrogen-bonded Turntrans-62.5120.2175.9-179.9-105.6000110.6E81 A102 T104Y79-E81 VanDerWaalsContact C-N 3.3Å; Y79-E81 PolarHBondContact O-N 3.48Å; Y79-A102 WeakPolarHBondContact CD2-O 3.42Å; Y79-A102 VanDerWaalsContact CE2-O 3.23Å; Y79-A102 WeakPolarHBondContact CE2-O 3.13Å; Y79-T104 HydrophobicContact CE2-CG2 3.9Å; Y79-T104 WeakPolarHBondContact OH-CG2 3.46Å; Y79-T104 PolarHBondContact OH-OG1 2.68Å; Y79-T104 VanDerWaalsContact OH-OG1 3.1Å
80N72.6Confident78.2Confident22 Ų2259.7 Ų59.712%0.11831%0.306CS..THydrogen-bonded Turntrans58.431.9174.4-72.1-16.9000115.2F78 S103 T104 K105F78-N80 PolarHBondContact O-N 2.8Å; N80-S103 WeakPolarHBondContact OD1-CA 3.39Å; N80-S103 PolarHBondContact OD1-OG 3.33Å; N80-T104 PolarHBondContact ND2-OG1 3.36Å; N80-T104 PolarHBondContact OD1-N 3.19Å; N80-T104 PolarHBondContact OD1-OG1 3.31Å; N80-K105 HydrophobicContact CB-CD 3.8Å; N80-K105 HydrophobicContact CB-CG 3.98Å; N80-K105 VanDerWaalsContact O-CE 3.31Å; N80-K105 WeakPolarHBondContact O-CE 3.47Å; N80-K105 PolarHBondContact O-NZ 2.73Å; N80-K105 PolarHBondContact OD1-N 3.01Å; N80-K105 VanDerWaalsContact OD1-N 3.1Å
81E73.1Confident78Confident56 Ų5658.3 Ų58.326%0.26230%0.297SS..  trans-74.4138.2177.9-172.356.3-102.400112.6Y38 F78 Y79 L83 F108Y38-E81 WeakPolarHBondContact CE1-OE1 3.43Å; Y38-E81 PolarHBondContact OH-OE1 3.38Å; F78-E81 HydrophobicContact CB-CB 3.68Å; F78-E81 HydrophobicContact CB-CG 4.25Å; Y79-E81 VanDerWaalsContact C-N 3.3Å; Y79-E81 PolarHBondContact O-N 3.48Å; E81-L83 HydrophobicContact CG-CD1 4.04Å; E81-L83 PolarHBondContact O-N 3.27Å; E81-L83 VanDerWaalsContact O-N 3.09Å; E81-F108 WeakPolarHBondContact O-CZ 3.28Å
82H67.8Low77.8Confident37 Ų3757.8 Ų57.817%0.17129%0.289CS..  trans-76.895.6179.6-73.3-71.9000110.9Y38 K105 E107Y38-H82 PolarHBondContact OH-CD2 3.14Å; H82-K105 PolarHBondContact CD2-NZ 3.1Å; H82-K105 PolarHBondContact CE1-NZ 2.99Å; H82-K105 PolarHBondContact NE2-NZ 3.48Å; H82-E107 IonicContact CE1-OE1 2.83Å; H82-E107 IonicContact ND1-OE1 2.92Å; H82-E107 PolarHBondContact ND1-OE1 3.37Å
83L63Low77.6Confident28 Ų2860.9 Ų60.915%0.14730%0.299CS..  trans-122.242.8-160.8-154.2105.4000116.8V76 E81 I86V76-L83 HydrophobicContact CB-CD2 4.13Å; V76-L83 HydrophobicContact CG1-CD1 3.75Å; V76-L83 HydrophobicContact CG1-CD2 3.9Å; V76-L83 HydrophobicContact CG1-CG 4.31Å; V76-L83 HydrophobicContact CG2-CD1 4.31Å; V76-L83 HydrophobicContact CG2-CD2 3.22Å; V76-L83 HydrophobicContact CG2-CG 4.36Å; E81-L83 HydrophobicContact CG-CD1 4.04Å; E81-L83 PolarHBondContact O-N 3.27Å; E81-L83 VanDerWaalsContact O-N 3.09Å; L83-I86 HydrophobicContact CD1-CD1 3.79Å; L83-I86 HydrophobicContact CD1-CG1 4.46Å; L83-I86 HydrophobicContact CD2-CD1 4.02Å; L83-I86 HydrophobicContact CD2-CG1 4.49Å; L83-I86 HydrophobicContact CG-CD1 3.99Å; L83-I86 HydrophobicContact CG-CG1 4.29Å
84F67.2Low77.7Confident50 Ų5059.5 Ų59.522%0.21929%0.289CS..Hα-helixtrans-75.8-28.1174-65-77.2000112.4L48 I86 L87 Y88 E107 L112 H115L48-F84 HydrophobicContact CD2-CB 3.61Å; F84-I86 PolarHBondContact O-N 3.25Å; F84-L87 PolarHBondContact O-N 3.12Å; F84-Y88 HydrophobicContact CB-CD2 4.37Å; F84-Y88 HydrophobicContact CB-CE2 4.3Å; F84-Y88 WeakPolarHBondContact O-CD2 3.06Å; F84-Y88 PolarHBondContact O-N 3.5Å; F84-E107 HydrophobicContact CZ-CB 4.43Å; F84-L112 HydrophobicContact CD1-CD1 4.41Å; F84-L112 HydrophobicContact CE1-CD1 3.94Å; F84-H115 AromaticContact CD1-NE2 3.93Å
85R74.4Confident77.7Confident60 Ų6058.3 Ų58.323%0.22628%0.282CS..Hα-helixtrans-64.2-36.2-167-148.179-166.2-105.6-2.8114.9P47 L48 C50 Y88 R89P47-R85 PolarHBondContact O-NE 3.21Å; P47-R85 PolarHBondContact O-NH1 3.43Å; P47-R85 PolarHBondContact O-NH2 2.82Å; L48-R85 VanDerWaalsContact C-NE 3.25Å; L48-R85 WeakPolarHBondContact O-CD 3.19Å; L48-R85 PolarHBondContact O-NE 2.79Å; L48-R85 PolarHBondContact O-NH2 2.57Å; C50-R85 PolarHBondContact SG-NH1 3.13Å; C50-R85 VanDerWaalsContact SG-NH1 3.44Å; C50-R85 PolarHBondContact SG-NH2 3.45Å; R85-Y88 PolarHBondContact O-N 3.25Å; R85-R89 HydrophobicContact CG-CG 4.34Å; R85-R89 WeakPolarHBondContact O-CB 2.85Å; R85-R89 WeakPolarHBondContact O-CG 3.39Å; R85-R89 PolarHBondContact O-N 3.1Å; R85-R89 VanDerWaalsContact O-N 3.12Å
86I76.5Confident77.9Confident66 Ų6661.2 Ų61.234%0.33829%0.292SS..Hα-helixtrans-65.3-44.4-176.3-60.9-176.9000109.9V74 L83 F84 Y88 R89 S90V74-I86 HydrophobicContact CG1-CG2 4.24Å; L83-I86 HydrophobicContact CD1-CD1 3.79Å; L83-I86 HydrophobicContact CD1-CG1 4.46Å; L83-I86 HydrophobicContact CD2-CD1 4.02Å; L83-I86 HydrophobicContact CD2-CG1 4.49Å; L83-I86 HydrophobicContact CG-CD1 3.99Å; L83-I86 HydrophobicContact CG-CG1 4.29Å; F84-I86 PolarHBondContact O-N 3.25Å; I86-Y88 PolarHBondContact O-N 3.16Å; I86-R89 PolarHBondContact O-N 3.49Å; I86-S90 WeakPolarHBondContact O-CB 3.32Å; I86-S90 PolarHBondContact O-N 3.28Å; I86-S90 PolarHBondContact O-OG 3.09Å
87L78.1Confident78Confident8 Ų863.2 Ų63.24%0.04230%0.301CS..Hα-helixtrans-54.7-41.4175.9-63.9169.8000111.3F84 L95 V98 L112 L116 M121F84-L87 PolarHBondContact O-N 3.12Å; L87-L95 HydrophobicContact CD2-CD1 4.49Å; L87-V98 HydrophobicContact CD2-CB 4.46Å; L87-V98 HydrophobicContact CD2-CG2 3.67Å; L87-L112 HydrophobicContact CD1-CD1 4.05Å; L87-L116 HydrophobicContact CD1-CD2 3.85Å; L87-L116 HydrophobicContact CD2-CD2 4.16Å; L87-M121 HydrophobicContact CB-CE 4.03Å; L87-M121 HydrophobicContact CB-SD 4.29Å; L87-M121 WeakPolarHBondContact O-CE 3.38Å
88Y77.4Confident78.2Confident26 Ų2659.5 Ų59.510%0.10228%0.277CS..Hα-helixtrans-79.9-16.9-177.6-75.3-66.3000116L48 Y49 F84 R85 I86 H115 N119L48-Y88 HydrophobicContact CB-CD2 4.04Å; L48-Y88 HydrophobicContact CB-CE2 4.34Å; L48-Y88 HydrophobicContact CB-CG 4.38Å; L48-Y88 HydrophobicContact CD1-CD2 4.2Å; L48-Y88 HydrophobicContact CD1-CE2 3.64Å; L48-Y88 HydrophobicContact CD2-CD2 4.06Å; L48-Y88 HydrophobicContact CD2-CE2 4.09Å; L48-Y88 HydrophobicContact CG-CD2 4.32Å; L48-Y88 HydrophobicContact CG-CE2 4.24Å; Y49-Y88 HydrophobicContact CE1-CD1 4.05Å; Y49-Y88 AromaticContact CE2-CD1 3.93Å; Y49-Y88 HydrophobicContact CE2-CD1 3.93Å; Y49-Y88 HydrophobicContact CE2-CE1 4.26Å; Y49-Y88 AromaticContact CZ-CD1 3.46Å; Y49-Y88 VanDerWaalsContact CZ-CD1 3.46Å; Y49-Y88 WeakPolarHBondContact OH-CD1 3.07Å; F84-Y88 HydrophobicContact CB-CD2 4.37Å; F84-Y88 HydrophobicContact CB-CE2 4.3Å; F84-Y88 WeakPolarHBondContact O-CD2 3.06Å; F84-Y88 PolarHBondContact O-N 3.5Å; R85-Y88 PolarHBondContact O-N 3.25Å; I86-Y88 PolarHBondContact O-N 3.16Å; Y88-H115 AromaticContact CE2-NE2 3.31Å; Y88-H115 VanDerWaalsContact CE2-NE2 3.31Å; Y88-H115 WeakPolarHBondContact CE2-NE2 3.46Å; Y88-H115 AromaticContact CZ-CE1 3.88Å; Y88-H115 AromaticContact CZ-NE2 3.29Å; Y88-H115 VanDerWaalsContact CZ-NE2 3.29Å; Y88-H115 PolarHBondContact OH-CE1 3.03Å; Y88-H115 PolarHBondContact OH-NE2 3.35Å; Y88-N119 PolarHBondContact OH-ND2 2.78Å; Y88-N119 VanDerWaalsContact OH-ND2 3.13Å
89R81.6Confident78.3Confident125 Ų12554.7 Ų54.747%0.47226%0.257SS..Hα-helixtrans-111.6-16.6-174.1-65.9-167.775.5-177.14.6113.9T52 R85 I86T52-R89 PolarHBondContact OG1-NH2 3.34Å; R85-R89 HydrophobicContact CG-CG 4.34Å; R85-R89 WeakPolarHBondContact O-CB 2.85Å; R85-R89 WeakPolarHBondContact O-CG 3.39Å; R85-R89 PolarHBondContact O-N 3.1Å; R85-R89 VanDerWaalsContact O-N 3.12Å; I86-R89 PolarHBondContact O-N 3.49Å
90S85.1Confident78.4Confident39 Ų3948.1 Ų48.127%0.27323%0.233SC..SBendtrans-82.2138.6173.8-65.80000110.1I86 I92I86-S90 WeakPolarHBondContact O-CB 3.32Å; I86-S90 PolarHBondContact O-N 3.28Å; I86-S90 PolarHBondContact O-OG 3.09Å; S90-I92 PolarHBondContact O-N 2.81Å
91P87.2Confident78.4Confident64 Ų6448 Ų4842%0.41623%0.232SC..  trans-56.5126.1168.7-2132.3000109.5E93 L94P91-E93 VanDerWaalsContact C-N 3.25Å; P91-E93 HydrophobicContact CB-CG 4.28Å; P91-E93 PolarHBondContact O-N 2.92Å; P91-L94 HydrophobicContact CB-CD1 4.23Å; P91-L94 HydrophobicContact CB-CG 4.21Å; P91-L94 HydrophobicContact CG-CD1 4.12Å; P91-L94 PolarHBondContact O-N 2.69Å
92I83.5Confident78.3Confident59 Ų5946.8 Ų46.830%0.30323%0.231SC..G310 helixtrans-62.7-38.7-172.2-167.9119.8000110.7S90 L94 L95 M121 N123S90-I92 PolarHBondContact O-N 2.81Å; I92-L94 PolarHBondContact O-N 2.6Å; I92-L95 PolarHBondContact O-N 2.83Å; I92-M121 HydrophobicContact CD1-CB 3.64Å; I92-M121 HydrophobicContact CD1-CE 3.72Å; I92-M121 HydrophobicContact CD1-CG 3.46Å; I92-M121 VanDerWaalsContact CD1-CG 3.46Å; I92-M121 HydrophobicContact CD1-SD 4.37Å; I92-N123 WeakPolarHBondContact CG1-OD1 3.34Å; I92-N123 PolarHBondContact O-ND2 3.39Å
93E85.4Confident78.6Confident139 Ų13946.6 Ų46.665%0.6523%0.234SC*.G310 helixtrans-58.6-18.2177.662.2-89.7-151.600114.4P91P91-E93 VanDerWaalsContact C-N 3.25Å; P91-E93 HydrophobicContact CB-CG 4.28Å; P91-E93 PolarHBondContact O-N 2.92Å
94L89.1Confident79.2Confident37 Ų3749.9 Ų49.919%0.19426%0.256CS..G310 helixtrans-98.2-11176.5-59.9-177.1000113.3L69 P71 V72 P91 I92L69-L94 HydrophobicContact CB-CD1 4.25Å; L69-L94 HydrophobicContact CB-CD2 3.67Å; L69-L94 HydrophobicContact CD1-CD1 3.89Å; L69-L94 WeakPolarHBondContact O-CD2 3.36Å; P71-L94 CarbonylContact C-O 3.53Å; P71-L94 WeakPolarHBondContact CA-O 3.3Å; V72-L94 VanDerWaalsContact CG2-O 3.29Å; V72-L94 WeakPolarHBondContact CG2-O 3.36Å; V72-L94 PolarHBondContact N-O 3.28Å; P91-L94 HydrophobicContact CB-CD1 4.23Å; P91-L94 HydrophobicContact CB-CG 4.21Å; P91-L94 HydrophobicContact CG-CD1 4.12Å; P91-L94 PolarHBondContact O-N 2.69Å; I92-L94 PolarHBondContact O-N 2.6Å
95L86.1Confident79.7Confident4 Ų449.4 Ų49.42%0.02125%0.253CS..EExtended strand (participates in β ladder)trans-87122.2177.5-67.4179.7000110V74 L87 I92 N123V74-L95 HydrophobicContact CG2-CD2 3.56Å; L87-L95 HydrophobicContact CD2-CD1 4.49Å; I92-L95 PolarHBondContact O-N 2.83Å; L95-N123 PolarHBondContact O-ND2 2.54Å
96E85.1Confident79.8Confident100 Ų10051.3 Ų51.347%0.46728%0.276SS..EExtended strand (participates in β ladder)trans-99.6-48.4171.5-160.8174.8174.500111.2P71 V72P71-E96 HydrophobicContact CB-CB 4.2Å; V72-E96 PolarHBondContact O-N 2.99Å
97E82.2Confident79.8Confident48 Ų4850.8 Ų50.822%0.22427%0.272CS..EExtended strand (participates in β ladder)trans-145.9150-177.4-58.9-171.6151.500109.2T73 V74 K125 L127T73-E97 CarbonylContact C-O 3.57Å; T73-E97 WeakPolarHBondContact CA-O 3.36Å; T73-E97 HydrophobicContact CG2-CB 3.92Å; V74-E97 PolarHBondContact N-O 3.46Å; E97-K125 HydrophobicContact CG-CB 4.3Å; E97-L127 WeakPolarHBondContact OE2-CD1 3.21Å
98V80Confident79.8Confident7 Ų751 Ų514%0.04227%0.272CS..EExtended strand (participates in β ladder)trans-122.3106.7169.8-175.90000108.1V74 V76 L87 V100 K125 V126 L127V74-V98 HydrophobicContact CB-CG2 4.28Å; V74-V98 CarbonylContact O-C 3.54Å; V74-V98 VanDerWaalsContact O-CA 3.31Å; V74-V98 WeakPolarHBondContact O-CA 3.39Å; V76-V98 HydrophobicContact CG2-CG1 4.45Å; L87-V98 HydrophobicContact CD2-CB 4.46Å; L87-V98 HydrophobicContact CD2-CG2 3.67Å; V98-V100 HydrophobicContact CG1-CG2 4.42Å; V98-K125 PolarHBondContact N-O 3.47Å; V98-V126 VanDerWaalsContact O-CA 3.28Å; V98-V126 WeakPolarHBondContact O-CA 3.35Å; V98-L127 PolarHBondContact O-N 3.5Å; V98-L127 VanDerWaalsContact O-N 3.17Å
99L76.8Confident79.9Confident24 Ų2451 Ų5113%0.12628%0.281CS..EExtended strand (participates in β ladder)trans-91.7122.2177.2177.163.9000109.2V74 V75 V76 L127 T129 V133V74-L99 PolarHBondContact O-N 3.07Å; V75-L99 HydrophobicContact CB-CB 4.41Å; V75-L99 HydrophobicContact CG1-CB 4.25Å; V75-L99 HydrophobicContact CG1-CD2 3.93Å; V75-L99 HydrophobicContact CG1-CG 4.17Å; V75-L99 HydrophobicContact CG2-CB 3.89Å; V75-L99 HydrophobicContact CG2-CD2 3.96Å; V75-L99 HydrophobicContact CG2-CG 4.46Å; V76-L99 PolarHBondContact N-O 3.44Å; L99-L127 HydrophobicContact CB-CB 4.35Å; L99-L127 HydrophobicContact CD1-CB 3.35Å; L99-L127 HydrophobicContact CD1-CD1 4.48Å; L99-L127 WeakPolarHBondContact CD1-O 3.21Å; L99-L127 HydrophobicContact CG-CB 4.41Å; L99-T129 HydrophobicContact CD1-CG2 4.49Å; L99-V133 HydrophobicContact CD1-CG2 4.29Å; L99-V133 HydrophobicContact CD2-CB 4.09Å; L99-V133 HydrophobicContact CD2-CG1 3.52Å; L99-V133 HydrophobicContact CD2-CG2 3.43Å; L99-V133 VanDerWaalsContact CD2-CG2 3.43Å; L99-V133 HydrophobicContact CG-CG2 3.89Å
100V75Confident79.9Confident12 Ų1252.8 Ų52.87%0.07329%0.292CS..EExtended strand (participates in β ladder)trans-107.8121.1175.2-176.60000108.6V98 F108 V126 L127V98-V100 HydrophobicContact CG1-CG2 4.42Å; V100-F108 HydrophobicContact CG1-CD1 4.33Å; V100-V126 HydrophobicContact CG2-CG1 4.29Å; V100-L127 PolarHBondContact N-O 2.98Å
101D71.6Confident79.9Confident20 Ų2054.1 Ų54.111%0.10730%0.3CS..EExtended strand (participates in β ladder)trans-83.8122-178.7-162.3-11.5000111.5V76 S103 T129 G131 A132 V133V76-D101 PolarHBondContact O-N 3.39Å; V76-D101 VanDerWaalsContact O-N 3.15Å; D101-S103 PolarHBondContact O-N 2.71Å; D101-T129 HydrophobicContact CB-CG2 4.44Å; D101-T129 WeakPolarHBondContact OD1-CG2 3.28Å; D101-G131 VanDerWaalsContact OD1-O 3.08Å; D101-A132 WeakPolarHBondContact OD2-CA 3.02Å; D101-V133 HydrophobicContact CB-CG2 4.29Å; D101-V133 PolarHBondContact OD2-N 3.05Å
102A71.1Confident79.6Confident30 Ų3051.3 Ų51.325%0.24828%0.281CS..SBendtrans48.227.3164.500000117.8Y79 T104 T129Y79-A102 WeakPolarHBondContact CD2-O 3.42Å; Y79-A102 VanDerWaalsContact CE2-O 3.23Å; Y79-A102 WeakPolarHBondContact CE2-O 3.13Å; A102-T104 PolarHBondContact O-N 2.96Å; A102-T129 WeakPolarHBondContact CA-O 3.36Å; A102-T129 PolarHBondContact N-O 3.39Å
103S73.6Confident79.6Confident32 Ų3251.6 Ų51.622%0.22428%0.283CS..  trans-71.8131.7178.4-1750000112.2N80 D101 K105 F108N80-S103 WeakPolarHBondContact OD1-CA 3.39Å; N80-S103 PolarHBondContact OD1-OG 3.33Å; D101-S103 PolarHBondContact O-N 2.71Å; S103-K105 PolarHBondContact OG-N 3.4Å; S103-F108 WeakPolarHBondContact OG-CD2 3.26Å
104T76.6Confident79.7Confident98 Ų9850.3 Ų50.360%0.60128%0.278SS*.  trans-100.6-4.6174.565.30000113.1Y79 N80 A102 S106Y79-T104 HydrophobicContact CE2-CG2 3.9Å; Y79-T104 WeakPolarHBondContact OH-CG2 3.46Å; Y79-T104 PolarHBondContact OH-OG1 2.68Å; Y79-T104 VanDerWaalsContact OH-OG1 3.1Å; N80-T104 PolarHBondContact ND2-OG1 3.36Å; N80-T104 PolarHBondContact OD1-N 3.19Å; N80-T104 PolarHBondContact OD1-OG1 3.31Å; A102-T104 PolarHBondContact O-N 2.96Å; T104-S106 PolarHBondContact O-N 3.18Å
105K76.8Confident79.4Confident40 Ų4050.8 Ų50.817%0.17428%0.278CS..  trans-66.8129.5177.6-85.4177.5175.7172.70109.1N36 N80 H82 S103 E107 F108N36-K105 PolarHBondContact OD1-NZ 2.83Å; N80-K105 HydrophobicContact CB-CD 3.8Å; N80-K105 HydrophobicContact CB-CG 3.98Å; N80-K105 VanDerWaalsContact O-CE 3.31Å; N80-K105 WeakPolarHBondContact O-CE 3.47Å; N80-K105 PolarHBondContact O-NZ 2.73Å; N80-K105 PolarHBondContact OD1-N 3.01Å; N80-K105 VanDerWaalsContact OD1-N 3.1Å; H82-K105 PolarHBondContact CD2-NZ 3.1Å; H82-K105 PolarHBondContact CE1-NZ 2.99Å; H82-K105 PolarHBondContact NE2-NZ 3.48Å; S103-K105 PolarHBondContact OG-N 3.4Å; K105-E107 HydrophobicContact CB-CG 4.02Å; K105-E107 PolarHBondContact O-N 2.91Å; K105-E107 VanDerWaalsContact O-N 3.16Å; K105-F108 HydrophobicContact CB-CD2 3.62Å; K105-F108 HydrophobicContact CB-CE2 3.84Å; K105-F108 HydrophobicContact CD-CE2 3.99Å; K105-F108 PolarHBondContact O-N 3.36Å; K105-F108 VanDerWaalsContact O-N 3.09Å
106S77.6Confident79.2Confident100 Ų10051.1 Ų51.170%0.69928%0.28SS*.G310 helixtrans-60.8-27.3-175.851.60000112.9T104 F108 G109 P111T104-S106 PolarHBondContact O-N 3.18Å; S106-F108 VanDerWaalsContact C-N 3.25Å; S106-F108 PolarHBondContact O-N 3.45Å; S106-G109 PolarHBondContact O-N 3.44Å; S106-G109 VanDerWaalsContact O-N 3.12Å; S106-P111 WeakPolarHBondContact O-CD 3.36Å
107E76.6Confident79.2Confident54 Ų5449.9 Ų49.925%0.25228%0.283SS..G310 helixtrans-62.3-26.4176.263.6-128.7-125.700114H82 F84 K105 G109 L112H82-E107 IonicContact CE1-OE1 2.83Å; H82-E107 IonicContact ND1-OE1 2.92Å; H82-E107 PolarHBondContact ND1-OE1 3.37Å; F84-E107 HydrophobicContact CZ-CB 4.43Å; K105-E107 HydrophobicContact CB-CG 4.02Å; K105-E107 PolarHBondContact O-N 2.91Å; K105-E107 VanDerWaalsContact O-N 3.16Å; E107-G109 VanDerWaalsContact C-N 3.27Å; E107-G109 PolarHBondContact O-N 3.42Å; E107-L112 WeakPolarHBondContact O-CB 3.41Å; E107-L112 PolarHBondContact O-N 2.8Å
108F76.4Confident79.3Confident12 Ų1253.9 Ų53.95%0.05330%0.304CS..G310 helixtrans-83.4-0.8176.3-63.9-76.6000113.5E81 V100 S103 K105 S106 L112 R128E81-F108 WeakPolarHBondContact O-CZ 3.28Å; V100-F108 HydrophobicContact CG1-CD1 4.33Å; S103-F108 WeakPolarHBondContact OG-CD2 3.26Å; K105-F108 HydrophobicContact CB-CD2 3.62Å; K105-F108 HydrophobicContact CB-CE2 3.84Å; K105-F108 HydrophobicContact CD-CE2 3.99Å; K105-F108 PolarHBondContact O-N 3.36Å; K105-F108 VanDerWaalsContact O-N 3.09Å; S106-F108 VanDerWaalsContact C-N 3.25Å; S106-F108 PolarHBondContact O-N 3.45Å; F108-L112 HydrophobicContact CD1-CD2 4.03Å; F108-R128 PolarHBondContact O-NE 2.95Å; F108-R128 PolarHBondContact O-NH2 2.98Å
109G79.8Confident79.4Confident28 Ų2856.7 Ų56.729%0.28932%0.319SS..THydrogen-bonded Turntrans-83.8-133.3171.600000111.8S106 E107 P111 L112 D113 R128S106-G109 PolarHBondContact O-N 3.44Å; S106-G109 VanDerWaalsContact O-N 3.12Å; E107-G109 VanDerWaalsContact C-N 3.27Å; E107-G109 PolarHBondContact O-N 3.42Å; G109-P111 VanDerWaalsContact C-N 3.33Å; G109-L112 PolarHBondContact O-N 3.17Å; G109-L112 VanDerWaalsContact O-N 3.15Å; G109-D113 PolarHBondContact O-N 3.41Å; G109-R128 PolarHBondContact O-NH2 3.27Å
110K83.4Confident79.7Confident162 Ų16263.5 Ų63.570%0.70435%0.348SS*.Hα-helixtrans-51.8-39.7177.7-63.8-174.1177.2-174.10114.9L112 D113 E114K110-L112 PolarHBondContact O-N 3.02Å; K110-D113 PolarHBondContact O-N 2.83Å; K110-D113 VanDerWaalsContact O-N 3.09Å; K110-E114 WeakPolarHBondContact O-CB 3.37Å; K110-E114 WeakPolarHBondContact O-CG 3.33Å; K110-E114 PolarHBondContact O-N 3.4Å
111P83.9Confident79.9Confident66 Ų6663.6 Ų63.643%0.42935%0.348SS..Hα-helixtrans-58.4-35.8-179.9-26.236.3000113S106 G109 H115S106-P111 WeakPolarHBondContact O-CD 3.36Å; G109-P111 VanDerWaalsContact C-N 3.33Å; P111-H115 WeakPolarHBondContact O-CB 3.42Å; P111-H115 PolarHBondContact O-N 2.95Å
112L81.5Confident80.2Confident5 Ų569 Ų693%0.02638%0.376CS..Hα-helixtrans-68.9-43.9175.1-179.162.5000111.8F84 L87 E107 F108 G109 K110 E114 H115 L116 V126F84-L112 HydrophobicContact CD1-CD1 4.41Å; F84-L112 HydrophobicContact CE1-CD1 3.94Å; L87-L112 HydrophobicContact CD1-CD1 4.05Å; E107-L112 WeakPolarHBondContact O-CB 3.41Å; E107-L112 PolarHBondContact O-N 2.8Å; F108-L112 HydrophobicContact CD1-CD2 4.03Å; G109-L112 PolarHBondContact O-N 3.17Å; G109-L112 VanDerWaalsContact O-N 3.15Å; K110-L112 PolarHBondContact O-N 3.02Å; L112-E114 VanDerWaalsContact C-N 3.35Å; L112-E114 PolarHBondContact O-N 3.33Å; L112-H115 WeakPolarHBondContact O-CB 3.32Å; L112-H115 PolarHBondContact O-N 3.41Å; L112-L116 HydrophobicContact CD1-CD1 4.49Å; L112-L116 HydrophobicContact CD1-CG 4.34Å; L112-L116 HydrophobicContact CG-CD1 4.27Å; L112-L116 VanDerWaalsContact O-CG 3.32Å; L112-L116 WeakPolarHBondContact O-CG 3.21Å; L112-L116 PolarHBondContact O-N 2.92Å; L112-V126 HydrophobicContact CD2-CB 4.4Å; L112-V126 HydrophobicContact CD2-CG1 3.93Å; L112-V126 HydrophobicContact CD2-CG2 3.71Å; L112-V126 HydrophobicContact CG-CG2 4.12Å
113D83.2Confident80.4Confident65 Ų6570.3 Ų70.335%0.34838%0.379SS..Hα-helixtrans-62.9-43178.8-57.6-37.1000111.1G109 K110 H115 L116 S117 R128G109-D113 PolarHBondContact O-N 3.41Å; K110-D113 PolarHBondContact O-N 2.83Å; K110-D113 VanDerWaalsContact O-N 3.09Å; D113-H115 VanDerWaalsContact C-N 3.32Å; D113-H115 PolarHBondContact O-N 3.31Å; D113-L116 PolarHBondContact O-N 2.99Å; D113-S117 PolarHBondContact O-N 2.83Å; D113-S117 PolarHBondContact O-OG 3Å; D113-R128 IonicContact OD1-CZ 3.09Å; D113-R128 IonicContact OD1-NH1 2.6Å; D113-R128 PolarHBondContact OD1-NH1 2.65Å; D113-R128 VanDerWaalsContact OD1-NH1 3.17Å; D113-R128 IonicContact OD1-NH2 3.94Å; D113-R128 PolarHBondContact OD1-NH2 2.76Å; D113-R128 IonicContact OD2-CZ 3.17Å; D113-R128 IonicContact OD2-NH1 3.34Å; D113-R128 PolarHBondContact OD2-NH1 3.15Å; D113-R128 IonicContact OD2-NH2 3.53Å; D113-R128 PolarHBondContact OD2-NH2 3.26Å; D113-R128 VanDerWaalsContact OD2-NH2 3.13Å
114E86.8Confident80.7Confident113 Ų11369.2 Ų69.253%0.52837%0.372SS..Hα-helixtrans-61.1-42.6173.6-73.1172.6-172.900111.2K110 L112 S117 I118K110-E114 WeakPolarHBondContact O-CB 3.37Å; K110-E114 WeakPolarHBondContact O-CG 3.33Å; K110-E114 PolarHBondContact O-N 3.4Å; L112-E114 VanDerWaalsContact C-N 3.35Å; L112-E114 PolarHBondContact O-N 3.33Å; E114-S117 WeakPolarHBondContact CA-OG 3.35Å; E114-S117 PolarHBondContact O-N 3.16Å; E114-S117 PolarHBondContact O-OG 3.06Å; E114-I118 WeakPolarHBondContact O-CB 3.45Å; E114-I118 WeakPolarHBondContact O-CD1 3.27Å; E114-I118 VanDerWaalsContact O-CG1 3.24Å; E114-I118 WeakPolarHBondContact O-CG1 3.43Å; E114-I118 PolarHBondContact O-N 3.17Å
115H82.8Confident80.7Confident46 Ų4670.4 Ų70.421%0.21337%0.369CS..Hα-helixtrans-65.1-42.8178.8-171.580.9000113.2F84 Y88 P111 L112 D113 S117 N119F84-H115 AromaticContact CD1-NE2 3.93Å; Y88-H115 AromaticContact CE2-NE2 3.31Å; Y88-H115 VanDerWaalsContact CE2-NE2 3.31Å; Y88-H115 WeakPolarHBondContact CE2-NE2 3.46Å; Y88-H115 AromaticContact CZ-CE1 3.88Å; Y88-H115 AromaticContact CZ-NE2 3.29Å; Y88-H115 VanDerWaalsContact CZ-NE2 3.29Å; Y88-H115 PolarHBondContact OH-CE1 3.03Å; Y88-H115 PolarHBondContact OH-NE2 3.35Å; P111-H115 WeakPolarHBondContact O-CB 3.42Å; P111-H115 PolarHBondContact O-N 2.95Å; L112-H115 WeakPolarHBondContact O-CB 3.32Å; L112-H115 PolarHBondContact O-N 3.41Å; D113-H115 VanDerWaalsContact C-N 3.32Å; D113-H115 PolarHBondContact O-N 3.31Å; H115-S117 VanDerWaalsContact C-N 3.35Å; H115-N119 WeakPolarHBondContact O-CB 3.37Å; H115-N119 PolarHBondContact O-N 3.39Å; H115-N119 VanDerWaalsContact O-N 3.11Å; H115-N119 PolarHBondContact O-ND2 3.37Å
116L82.7Confident80.7Confident12 Ų1269.5 Ų69.56%0.06337%0.367CS..Hα-helixtrans-63.4-42.3176.3-69.2174.7000111.3L87 L112 D113 N119 K120 M121 V126L87-L116 HydrophobicContact CD1-CD2 3.85Å; L87-L116 HydrophobicContact CD2-CD2 4.16Å; L112-L116 HydrophobicContact CD1-CD1 4.49Å; L112-L116 HydrophobicContact CD1-CG 4.34Å; L112-L116 HydrophobicContact CG-CD1 4.27Å; L112-L116 VanDerWaalsContact O-CG 3.32Å; L112-L116 WeakPolarHBondContact O-CG 3.21Å; L112-L116 PolarHBondContact O-N 2.92Å; D113-L116 PolarHBondContact O-N 2.99Å; L116-N119 CarbonylContact O-C 3.57Å; L116-N119 PolarHBondContact O-N 3Å; L116-K120 PolarHBondContact O-N 3.23Å; L116-K120 VanDerWaalsContact O-N 3.15Å; L116-M121 HydrophobicContact CB-CB 4.29Å; L116-M121 HydrophobicContact CD2-CB 3.89Å; L116-M121 HydrophobicContact CD2-CG 4.24Å; L116-M121 HydrophobicContact CD2-SD 3.52Å; L116-M121 VanDerWaalsContact CD2-SD 3.52Å; L116-M121 PolarHBondContact O-N 2.98Å; L116-V126 HydrophobicContact CD1-CG2 3.31Å
117S85Confident80.8Confident74 Ų7468.3 Ų68.352%0.51735%0.352SS..Hα-helixtrans-66.8-42.8178.260.80000112.8D113 E114 H115 N119 K120D113-S117 PolarHBondContact O-N 2.83Å; D113-S117 PolarHBondContact O-OG 3Å; E114-S117 WeakPolarHBondContact CA-OG 3.35Å; E114-S117 PolarHBondContact O-N 3.16Å; E114-S117 PolarHBondContact O-OG 3.06Å; H115-S117 VanDerWaalsContact C-N 3.35Å; S117-N119 VanDerWaalsContact C-N 3.27Å; S117-N119 PolarHBondContact O-N 3.32Å; S117-K120 PolarHBondContact O-N 3.22Å; S117-K120 VanDerWaalsContact O-N 3.13Å
118I84.8Confident80.9Confident132 Ų13271.4 Ų71.468%0.67736%0.361SS*.Hα-helixtrans-60.1-39.4175.3-71165.4000111.1E114 K120E114-I118 WeakPolarHBondContact O-CB 3.45Å; E114-I118 WeakPolarHBondContact O-CD1 3.27Å; E114-I118 VanDerWaalsContact O-CG1 3.24Å; E114-I118 WeakPolarHBondContact O-CG1 3.43Å; E114-I118 PolarHBondContact O-N 3.17Å; I118-K120 VanDerWaalsContact C-N 3.27Å; I118-K120 PolarHBondContact O-N 3.48Å
119N81.9Confident81Confident66 Ų6673.1 Ų73.135%0.35337%0.373SS..THydrogen-bonded Turntrans-85.67.1-179.7-70.6-74.2000113.9Y88 H115 L116 S117 M121Y88-N119 PolarHBondContact OH-ND2 2.78Å; Y88-N119 VanDerWaalsContact OH-ND2 3.13Å; H115-N119 WeakPolarHBondContact O-CB 3.37Å; H115-N119 PolarHBondContact O-N 3.39Å; H115-N119 VanDerWaalsContact O-N 3.11Å; H115-N119 PolarHBondContact O-ND2 3.37Å; L116-N119 CarbonylContact O-C 3.57Å; L116-N119 PolarHBondContact O-N 3Å; S117-N119 VanDerWaalsContact C-N 3.27Å; S117-N119 PolarHBondContact O-N 3.32Å; N119-M121 VanDerWaalsContact C-N 3.25Å; N119-M121 HydrophobicContact CB-CG 3.9Å; N119-M121 HydrophobicContact CB-SD 4.21Å; N119-M121 PolarHBondContact O-N 3.34Å
120K82.3Confident80.7Confident166 Ų16680.8 Ų80.872%0.72240%0.404SS*.THydrogen-bonded Turntrans55.239.3-179.9-54.6-178.2179-177.90113.1L116 S117 I118 D122L116-K120 PolarHBondContact O-N 3.23Å; L116-K120 VanDerWaalsContact O-N 3.15Å; S117-K120 PolarHBondContact O-N 3.22Å; S117-K120 VanDerWaalsContact O-N 3.13Å; I118-K120 VanDerWaalsContact C-N 3.27Å; I118-K120 PolarHBondContact O-N 3.48Å; K120-D122 PolarHBondContact O-N 3.37Å
121M80.1Confident80Confident15 Ų1574.8 Ų74.87%0.07439%0.387CS..  trans-89.249.6177.3-55-173.3117.300110.7L87 I92 L116 N119 N123 A124L87-M121 HydrophobicContact CB-CE 4.03Å; L87-M121 HydrophobicContact CB-SD 4.29Å; L87-M121 WeakPolarHBondContact O-CE 3.38Å; I92-M121 HydrophobicContact CD1-CB 3.64Å; I92-M121 HydrophobicContact CD1-CE 3.72Å; I92-M121 HydrophobicContact CD1-CG 3.46Å; I92-M121 VanDerWaalsContact CD1-CG 3.46Å; I92-M121 HydrophobicContact CD1-SD 4.37Å; L116-M121 HydrophobicContact CB-CB 4.29Å; L116-M121 HydrophobicContact CD2-CB 3.89Å; L116-M121 HydrophobicContact CD2-CG 4.24Å; L116-M121 HydrophobicContact CD2-SD 3.52Å; L116-M121 VanDerWaalsContact CD2-SD 3.52Å; L116-M121 PolarHBondContact O-N 2.98Å; N119-M121 VanDerWaalsContact C-N 3.25Å; N119-M121 HydrophobicContact CB-CG 3.9Å; N119-M121 HydrophobicContact CB-SD 4.21Å; N119-M121 PolarHBondContact O-N 3.34Å; M121-N123 PolarHBondContact O-N 2.9Å; M121-A124 HydrophobicContact CB-CB 4.28Å; M121-A124 PolarHBondContact O-N 2.9Å
122D76.6Confident79.2Confident133 Ų13375.5 Ų75.571%0.71140%0.399SS*.THydrogen-bonded Turntrans-65.9-24.8-167.1-58.7-28.3000113.4K120K120-D122 PolarHBondContact O-N 3.37Å
123N77.1Confident78.6Confident57 Ų5777.2 Ų77.231%0.30541%0.409SS..THydrogen-bonded Turntrans-75.8-30174.658.5-58.7000112.2I92 L95 M121 K125I92-N123 WeakPolarHBondContact CG1-OD1 3.34Å; I92-N123 PolarHBondContact O-ND2 3.39Å; L95-N123 PolarHBondContact O-ND2 2.54Å; M121-N123 PolarHBondContact O-N 2.9Å; N123-K125 PolarHBondContact O-N 3.13Å
124A77.8Confident78Confident9 Ų979 Ų797%0.07442%0.423CS..  trans-80.4107-17800000110.9M121M121-A124 HydrophobicContact CB-CB 4.28Å; M121-A124 PolarHBondContact O-N 2.9Å
125K77.2Confident77.3Confident124 Ų12480.6 Ų80.654%0.53943%0.428SS..EExtended strand (participates in β ladder)trans-93.5134.1173.4-61.9175.2-170.7163.60111.2E97 V98 N123E97-K125 HydrophobicContact CG-CB 4.3Å; V98-K125 PolarHBondContact N-O 3.47Å; N123-K125 PolarHBondContact O-N 3.13Å
126V78.1Confident76.9Confident21 Ų2186.4 Ų86.413%0.12746%0.455CS..EExtended strand (participates in β ladder)trans-92.8110.8172.8-176.70000110V98 V100 L112 L116 R128V98-V126 VanDerWaalsContact O-CA 3.28Å; V98-V126 WeakPolarHBondContact O-CA 3.35Å; V100-V126 HydrophobicContact CG2-CG1 4.29Å; L112-V126 HydrophobicContact CD2-CB 4.4Å; L112-V126 HydrophobicContact CD2-CG1 3.93Å; L112-V126 HydrophobicContact CD2-CG2 3.71Å; L112-V126 HydrophobicContact CG-CG2 4.12Å; L116-V126 HydrophobicContact CD1-CG2 3.31Å; V126-R128 HydrophobicContact CG1-CG 4.06Å
127L79.7Confident76.3Confident74 Ų7496 Ų9639%0.38749%0.49SS..EExtended strand (participates in β ladder)trans-91.9135.1170.4-62.5-179.1000108.9E97 V98 L99 V100E97-L127 WeakPolarHBondContact OE2-CD1 3.21Å; V98-L127 PolarHBondContact O-N 3.5Å; V98-L127 VanDerWaalsContact O-N 3.17Å; L99-L127 HydrophobicContact CB-CB 4.35Å; L99-L127 HydrophobicContact CD1-CB 3.35Å; L99-L127 HydrophobicContact CD1-CD1 4.48Å; L99-L127 WeakPolarHBondContact CD1-O 3.21Å; L99-L127 HydrophobicContact CG-CB 4.41Å; V100-L127 PolarHBondContact N-O 2.98Å
128R78.5Confident75.4Confident119 Ų11998.5 Ų98.545%0.44951%0.506SS..EExtended strand (participates in β ladder)trans-123.2125.8-178.6-60.9176.9-179.789.7-2.9108.9F108 G109 D113 V126F108-R128 PolarHBondContact O-NE 2.95Å; F108-R128 PolarHBondContact O-NH2 2.98Å; G109-R128 PolarHBondContact O-NH2 3.27Å; D113-R128 IonicContact OD1-CZ 3.09Å; D113-R128 IonicContact OD1-NH1 2.6Å; D113-R128 PolarHBondContact OD1-NH1 2.65Å; D113-R128 VanDerWaalsContact OD1-NH1 3.17Å; D113-R128 IonicContact OD1-NH2 3.94Å; D113-R128 PolarHBondContact OD1-NH2 2.76Å; D113-R128 IonicContact OD2-CZ 3.17Å; D113-R128 IonicContact OD2-NH1 3.34Å; D113-R128 PolarHBondContact OD2-NH1 3.15Å; D113-R128 IonicContact OD2-NH2 3.53Å; D113-R128 PolarHBondContact OD2-NH2 3.26Å; D113-R128 VanDerWaalsContact OD2-NH2 3.13Å; V126-R128 HydrophobicContact CG1-CG 4.06Å
129T76.9Confident74.7Confident49 Ų49100.6 Ų100.630%0.30151%0.513SS..EExtended strand (participates in β ladder)trans-119.9147177.1176.20000110.4L99 D101 A102 G131 V133L99-T129 HydrophobicContact CD1-CG2 4.49Å; D101-T129 HydrophobicContact CB-CG2 4.44Å; D101-T129 WeakPolarHBondContact OD1-CG2 3.28Å; A102-T129 WeakPolarHBondContact CA-O 3.36Å; A102-T129 PolarHBondContact N-O 3.39Å; T129-G131 VanDerWaalsContact C-N 3.31Å; T129-G131 WeakPolarHBondContact CG2-O 3.2Å; T129-G131 PolarHBondContact OG1-N 3.37Å; T129-G131 PolarHBondContact OG1-O 3.03Å; T129-V133 HydrophobicContact CG2-CG2 3.74Å
130M73.4Confident73.8Confident189 Ų189104.5 Ų104.593%0.93157%0.569SS**SBendtrans-87.10.4174.8-69.6-64-61.400112.8
131G69.4Low73.4Confident35 Ų35101.5 Ų101.536%0.36156%0.562SS.*SBendtrans-154.7173.2-179.500000112.4D101 T129 V133D101-G131 VanDerWaalsContact OD1-O 3.08Å; T129-G131 VanDerWaalsContact C-N 3.31Å; T129-G131 WeakPolarHBondContact CG2-O 3.2Å; T129-G131 PolarHBondContact OG1-N 3.37Å; T129-G131 PolarHBondContact OG1-O 3.03Å; G131-V133 PolarHBondContact O-N 3.19Å
132A67.9Low73Confident81 Ų81106 Ų10667%0.66959%0.587SS**  trans-54.6133.8-170.700000113.3D101 V134D101-A132 WeakPolarHBondContact OD2-CA 3.02Å; A132-V134 PolarHBondContact O-N 2.94Å
133V69.1Low72.8Confident41 Ų41104.5 Ų104.525%0.24858%0.58CS.*  trans-73.9112.5170.9-176.80000109.3L99 D101 T129 G131 F135L99-V133 HydrophobicContact CD1-CG2 4.29Å; L99-V133 HydrophobicContact CD2-CB 4.09Å; L99-V133 HydrophobicContact CD2-CG1 3.52Å; L99-V133 HydrophobicContact CD2-CG2 3.43Å; L99-V133 VanDerWaalsContact CD2-CG2 3.43Å; L99-V133 HydrophobicContact CG-CG2 3.89Å; D101-V133 HydrophobicContact CB-CG2 4.29Å; D101-V133 PolarHBondContact OD2-N 3.05Å; T129-V133 HydrophobicContact CG2-CG2 3.74Å; G131-V133 PolarHBondContact O-N 3.19Å; V133-F135 HydrophobicContact CB-CE2 4.34Å; V133-F135 HydrophobicContact CG1-CD2 4.19Å; V133-F135 HydrophobicContact CG1-CE1 4.21Å; V133-F135 HydrophobicContact CG1-CE2 3.66Å; V133-F135 HydrophobicContact CG1-CZ 3.69Å
134V69.9Low72.6Confident104 Ų104107.3 Ų107.363%0.6360%0.597SS**  trans-98.3111.8175.3-177.30000109.6A132 H136A132-V134 PolarHBondContact O-N 2.94Å; V134-H136 PolarHBondContact O-N 3.18Å
135F72.3Confident72.2Confident145 Ų145113.4 Ų113.464%0.63663%0.629SS**  trans-83.2113.1171.1-62.9-85.8000109.9V75 V133V75-F135 HydrophobicContact CB-CE2 4.45Å; V75-F135 HydrophobicContact CB-CZ 3.79Å; V75-F135 HydrophobicContact CG1-CE2 4.09Å; V75-F135 HydrophobicContact CG1-CZ 3.75Å; V75-F135 HydrophobicContact CG2-CE1 4.08Å; V75-F135 HydrophobicContact CG2-CZ 3.49Å; V75-F135 VanDerWaalsContact CG2-CZ 3.49Å; V133-F135 HydrophobicContact CB-CE2 4.34Å; V133-F135 HydrophobicContact CG1-CD2 4.19Å; V133-F135 HydrophobicContact CG1-CE1 4.21Å; V133-F135 HydrophobicContact CG1-CE2 3.66Å; V133-F135 HydrophobicContact CG1-CZ 3.69Å
136H74.9Confident71.9Confident168 Ų168112.7 Ų112.778%0.77864%0.635SS**  trans-77.1132.5166.8-74.1-78.1000109.6V134 C138V134-H136 PolarHBondContact O-N 3.18Å; H136-C138 PolarHBondContact O-N 3.18Å; H136-C138 VanDerWaalsContact O-N 3.12Å
137R69.9Low71.5Confident214 Ų214119.3 Ų119.381%0.80867%0.671SS**  trans-67.2110166.9-169.3-175.6-71.1-155.50.1107H139R137-H139 PolarHBondContact O-N 2.98Å; R137-H139 VanDerWaalsContact O-N 3.12Å
138C65.5Low70.8Confident126 Ų126122.8 Ų122.885%0.85169%0.693SS**  trans-62.8115.2166.2-950000108H136 G140H136-C138 PolarHBondContact O-N 3.18Å; H136-C138 VanDerWaalsContact O-N 3.12Å; C138-G140 PolarHBondContact O-N 3.17Å
139H69.2Low70.2Confident176 Ų176123.1 Ų123.182%0.81571%0.714SS**  trans-79.599.2163.7-81.5-82.9000107.1R137R137-H139 PolarHBondContact O-N 2.98Å; R137-H139 VanDerWaalsContact O-N 3.12Å
140G63.7Low69.6Low149 Ų149129.8 Ų129.8100%1.53675%0.751SS**  trans-108.40163.300000109.4C138C138-G140 PolarHBondContact O-N 3.17Å

Retrieved 140 of 140 residues in 132.7 ms (Link to these results)