A0A096LXA7_POEFO Loading...

Ring finger protein 224

AlphaFold DB , UniProt , Accession A0A096LXA7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 170 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
1E39.3Very low45Very low238 Ų238147.5 Ų147.5100%1.11277%0.773SS**  061.20-48.5-177.3149.700106.3
2E44Very low44.7Very low171 Ų171144.9 Ų144.980%0.79977%0.772SS**  67.812556.5-141.4169.6157.500113.3
3E40.8Very low44.9Very low170 Ų170144.8 Ų144.879%0.79479%0.787SS**  trans72.5130.4174.8-68.7164.9104.100116
4D41.1Very low45.7Very low131 Ų131140.6 Ų140.670%0.70177%0.774SS**  cis-158.2111.238.5-167.4-103000109.7
5D44.3Very low46.2Very low155 Ų155137.2 Ų137.283%0.82976%0.764SS**  trans-101.191.5168.2-170.9-101.6000106.1P7D5-P7 WeakPolarHBondContact O-CD 3.49Å
6D49.7Very low46.3Very low117 Ų117137.8 Ų137.863%0.62677%0.772SS**  trans-65110.7179.3-173.1-90.4000109.9L8D6-L8 PolarHBondContact O-N 3.19Å
7P46.7Very low46.4Very low88 Ų88134.8 Ų134.857%0.57177%0.769SS**  trans-77.9110.7176.8-6.825.3000107.9D5 H9D5-P7 WeakPolarHBondContact O-CD 3.49Å; P7-H9 VanDerWaalsContact C-N 3.3Å; P7-H9 PolarHBondContact O-CD2 2.93Å; P7-H9 PolarHBondContact O-N 3.49Å
8L44.7Very low46.8Very low164 Ų164135 Ų13586%0.85976%0.764SS**  trans-50.793.2167.3-75.1164.8000110.3D6D6-L8 PolarHBondContact O-N 3.19Å
9H46.4Very low46.9Very low164 Ų164136.9 Ų136.976%0.75977%0.766SS**PPolyproline II helixtrans-61.7125.9169.3-74.6175.7000108.5P7P7-H9 VanDerWaalsContact C-N 3.3Å; P7-H9 PolarHBondContact O-CD2 2.93Å; P7-H9 PolarHBondContact O-N 3.49Å
10P50.2Low47Very low112 Ų112137 Ų13773%0.72777%0.77SS**PPolyproline II helixtrans-62.7137.3166.827.1-32.1000108
11P47.3Very low47.4Very low112 Ų112134.8 Ų134.873%0.72776%0.759SS**PPolyproline II helixtrans-59.2137.8-179.124.7-33.6000109.7C13P11-C13 PolarHBondContact O-N 3.22Å; P11-C13 VanDerWaalsContact O-N 3.09Å
12P41.4Very low48.2Very low117 Ų117130.8 Ų130.876%0.7674%0.743SS**PPolyproline II helixtrans-60.3119.6173.324.2-31.6000108.6S14P12-S14 PolarHBondContact O-N 3.14Å
13C47.7Very low48.6Very low143 Ų143128.5 Ų128.597%0.96675%0.745SS**  trans-71.276.5170.3-165.10000108.2P11P11-C13 PolarHBondContact O-N 3.22Å; P11-C13 VanDerWaalsContact O-N 3.09Å
14S55.9Low49Very low86 Ų86123.2 Ų123.260%0.60174%0.736SS**  trans-158.4122.9180173.30000109.5P12P12-S14 PolarHBondContact O-N 3.14Å
15S53.3Low49.8Very low90 Ų90128.6 Ų128.663%0.62975%0.747SS**SBendtrans92.82.4156.468.10000121.9
16V48.7Very low50.3Low146 Ų146128.5 Ų128.589%0.88574%0.735SS**SBendtrans-122.557.8163.7-1630000111.6
17A47Very low50.9Low87 Ų87126.9 Ų126.972%0.71973%0.731SS**SBendtrans-148.922.8166.300000112.3
18M54Low52.3Low139 Ų139129.5 Ų129.569%0.68574%0.74SS**SBendtrans-102.5-2.4179.566.3-170.1-176.500114.2
19E48.3Very low54.6Low172 Ų172122.4 Ų122.480%0.80470%0.703SS**SBendtrans-120.5-3-175.1-57.4-155126.800115.7
20T49.8Very low57Low138 Ų138117.1 Ų117.185%0.84768%0.682SS**SBendtrans-110.528.3178-31.10000114.3
21V55.8Low59.2Low90 Ų90111.8 Ų111.855%0.54565%0.648SS.*SBendtrans-125.75.9177.2-830000114.8
22M55.1Low61.5Low155 Ų155110.5 Ų110.576%0.76463%0.633SS**SBendtrans-102.423.6-177.9-64.7-61.4140.200114.4
23S52.3Low64.1Low122 Ų122107.7 Ų107.785%0.85361%0.614SS**SBendtrans-153.515.7171.3-137.20000115.9
24G49.3Very low66.5Low59 Ų59103.6 Ų103.661%0.60859%0.587SS**SBendtrans-83.3108.615400000105.9R26G24-R26 PolarHBondContact O-N 3.13Å
25R57Low68.4Low245 Ų245107.5 Ų107.593%0.92559%0.593SS**  trans-42.7101.5177.3-75.3179.9-170.7-121.51.5108.5P27R25-P27 WeakPolarHBondContact O-CD 3.44Å; R25-P27 VanDerWaalsContact O-N 3.14Å
26R56.5Low70.4Confident153 Ų153103.8 Ų103.858%0.57757%0.569SS**  trans-57.3124.9167.1-57.4-178.787.5-170.48.7103G24 D28G24-R26 PolarHBondContact O-N 3.13Å; R26-D28 PolarHBondContact O-N 3.2Å
27P61Low72.6Confident83 Ų83100.3 Ų100.354%0.53955%0.551SS.*  trans-52.2124.7174.319.7-29.2000106R25 L29R25-P27 WeakPolarHBondContact O-CD 3.44Å; R25-P27 VanDerWaalsContact O-N 3.14Å; P27-L29 VanDerWaalsContact C-N 3.31Å; P27-L29 HydrophobicContact CB-CD2 4.32Å; P27-L29 HydrophobicContact CG-CD2 4.04Å; P27-L29 WeakPolarHBondContact O-CG 3.37Å; P27-L29 PolarHBondContact O-N 3.33Å
28D77.7Confident74.9Confident143 Ų14397.3 Ų97.377%0.76552%0.521SS*.  trans-57.7102.8178-71.5-43.7000106.1R26 V30R26-D28 PolarHBondContact O-N 3.2Å; D28-V30 HydrophobicContact CB-CG2 3.9Å; D28-V30 PolarHBondContact O-N 3.17Å
29L92.8Very high76.9Confident15 Ų1592 Ų928%0.07950%0.496CS..  trans-78.753-175.8-63.5-170.6000109.5P27 S37 Y38 A100 V101P27-L29 VanDerWaalsContact C-N 3.31Å; P27-L29 HydrophobicContact CB-CD2 4.32Å; P27-L29 HydrophobicContact CG-CD2 4.04Å; P27-L29 WeakPolarHBondContact O-CG 3.37Å; P27-L29 PolarHBondContact O-N 3.33Å; L29-S37 CarbonylContact O-C 3.51Å; L29-S37 VanDerWaalsContact O-CA 3.3Å; L29-S37 WeakPolarHBondContact O-CA 3.49Å; L29-Y38 HydrophobicContact CB-CD2 4.14Å; L29-Y38 WeakPolarHBondContact O-CD2 3.08Å; L29-Y38 PolarHBondContact O-N 3.09Å; L29-A100 HydrophobicContact CD1-CB 3.71Å; L29-A100 HydrophobicContact CD2-CB 3.84Å; L29-A100 HydrophobicContact CG-CB 4.36Å; L29-V101 HydrophobicContact CB-CG2 4.46Å; L29-V101 HydrophobicContact CD1-CB 4.41Å; L29-V101 HydrophobicContact CD1-CG2 3.73Å
30V95.3Very high79.1Confident53 Ų5386 Ų8632%0.32147%0.469SS..BIsolated β-bridgetrans-127146.7-175.5-570000108.9D28 G36 Y38D28-V30 HydrophobicContact CB-CG2 3.9Å; D28-V30 PolarHBondContact O-N 3.17Å; V30-G36 WeakPolarHBondContact CA-O 3.43Å; V30-Y38 WeakPolarHBondContact O-CE2 3.3Å; V30-Y38 PolarHBondContact O-OH 2.94Å
31C96.9Very high81.1Confident0 Ų086.4 Ų86.40%047%0.465CS..  trans-85.6128.8174-175.90000110.6V33 F35 G36 Y38 C55 C58C31-V33 PolarHBondContact O-N 3.3Å; C31-V33 VanDerWaalsContact O-N 3.14Å; C31-F35 WeakPolarHBondContact O-CA 3.36Å; C31-F35 PolarHBondContact O-N 2.95Å; C31-G36 PolarHBondContact N-O 3.3Å; C31-Y38 HydrophobicContact CB-CD1 4.45Å; C31-Y38 HydrophobicContact CB-CE1 3.67Å; C31-C55 HydrophobicContact CB-CB 3.72Å; C31-C55 PolarHBondContact SG-N 3.5Å; C31-C58 PolarHBondContact SG-SG 3.48Å
32I95.2Very high82.9Confident84 Ų8485.9 Ų85.943%0.43146%0.463SS..THydrogen-bonded Turntrans-68.3-13.4179.470.8169.7000114.4F35 F54 Q76I32-F35 WeakPolarHBondContact O-CZ 3.38Å; I32-F54 HydrophobicContact CD1-CE1 3.75Å; I32-F54 HydrophobicContact CG1-CD1 4.04Å; I32-F54 HydrophobicContact CG1-CE1 3.65Å; I32-Q76 HydrophobicContact CD1-CG 3.47Å; I32-Q76 VanDerWaalsContact CD1-CG 3.47Å
33V96.8Very high84.9Confident58 Ų5882.9 Ų82.935%0.35244%0.443SS..THydrogen-bonded Turntrans-85-43.9-178.71760000111.4C31 F54 C58 P75C31-V33 PolarHBondContact O-N 3.3Å; C31-V33 VanDerWaalsContact O-N 3.14Å; V33-F54 HydrophobicContact CG2-CD1 3.64Å; V33-F54 HydrophobicContact CG2-CE1 4.08Å; V33-C58 HydrophobicContact CB-CB 4.14Å; V33-C58 HydrophobicContact CG1-CB 4.07Å; V33-P75 HydrophobicContact CG2-CB 4.25Å; V33-P75 HydrophobicContact CG2-CG 3.82Å
34C97.1Very high87Confident58 Ų5878.1 Ų78.139%0.39241%0.407SS..THydrogen-bonded Turntrans-111.1-2.9-177.969.30000113.6G36 C58C34-G36 PolarHBondContact O-N 2.76Å; C34-G36 PolarHBondContact SG-N 3.07Å; C34-C58 PolarHBondContact SG-SG 2.76Å
35F95.8Very high89.3Confident167 Ų16775.3 Ų75.373%0.73238%0.378SS*.  trans54.412.2-173.9-55.7-78.8000114.9C31 I32C31-F35 WeakPolarHBondContact O-CA 3.36Å; C31-F35 PolarHBondContact O-N 2.95Å; I32-F35 WeakPolarHBondContact O-CZ 3.38Å
36G95.3Very high91.3Very high13 Ų1364.8 Ų64.813%0.13434%0.339CS..PPolyproline II helixtrans-86.6146.9177.800000112.3V30 C31 C34V30-G36 WeakPolarHBondContact CA-O 3.43Å; C31-G36 PolarHBondContact N-O 3.3Å; C34-G36 PolarHBondContact O-N 2.76Å; C34-G36 PolarHBondContact SG-N 3.07Å
37S95.6Very high93.2Very high72 Ų7261.1 Ų61.150%0.50333%0.325SS..BIsolated β-bridgetrans-61.4142.3173.1-49.70000111.8L29 R43L29-S37 CarbonylContact O-C 3.51Å; L29-S37 VanDerWaalsContact O-CA 3.3Å; L29-S37 WeakPolarHBondContact O-CA 3.49Å; S37-R43 WeakPolarHBondContact O-CD 3.36Å; S37-R43 PolarHBondContact O-NE 2.96Å
38Y96.4Very high95Very high24 Ų2457.3 Ų57.39%0.09430%0.3CS..PPolyproline II helixtrans-66144.9171.9-65.6-50.7000111.1L29 V30 C31 R43 P45 A53 C55L29-Y38 HydrophobicContact CB-CD2 4.14Å; L29-Y38 WeakPolarHBondContact O-CD2 3.08Å; L29-Y38 PolarHBondContact O-N 3.09Å; V30-Y38 WeakPolarHBondContact O-CE2 3.3Å; V30-Y38 PolarHBondContact O-OH 2.94Å; C31-Y38 HydrophobicContact CB-CD1 4.45Å; C31-Y38 HydrophobicContact CB-CE1 3.67Å; Y38-R43 WeakPolarHBondContact CA-O 3.31Å; Y38-R43 VanDerWaalsContact CD1-O 3.25Å; Y38-R43 WeakPolarHBondContact CD1-O 3.18Å; Y38-P45 HydrophobicContact CD1-CB 4.02Å; Y38-P45 HydrophobicContact CD2-CB 4.11Å; Y38-P45 HydrophobicContact CE1-CB 3.98Å; Y38-P45 HydrophobicContact CE2-CB 4.1Å; Y38-P45 HydrophobicContact CG-CB 4.09Å; Y38-P45 HydrophobicContact CG-CG 4.41Å; Y38-A53 PolarHBondContact OH-O 3.18Å; Y38-C55 HydrophobicContact CD1-CB 4.21Å; Y38-C55 HydrophobicContact CE1-CB 3.96Å
39D94.3Very high95.9Very high29 Ų2955.4 Ų55.416%0.15529%0.286CS..  trans-140.3165.2176.462.757.2000110.6L41 T42 R43 L44D39-L41 VanDerWaalsContact C-N 3.26Å; D39-L41 PolarHBondContact O-N 3.33Å; D39-L41 PolarHBondContact OD1-N 3.27Å; D39-L41 VanDerWaalsContact OD1-N 3.08Å; D39-T42 PolarHBondContact OD1-N 3.1Å; D39-T42 PolarHBondContact OD1-OG1 3.4Å; D39-T42 PolarHBondContact OD2-OG1 3.41Å; D39-R43 PolarHBondContact N-O 3.44Å; D39-R43 VanDerWaalsContact N-O 3.13Å; D39-R43 CarbonylContact O-C 3.58Å; D39-R43 PolarHBondContact OD1-N 3.16Å; D39-R43 WeakPolarHBondContact OD2-CB 3.13Å; D39-R43 IonicContact OD2-CZ 3.45Å; D39-R43 IonicContact OD2-NE 2.85Å; D39-R43 PolarHBondContact OD2-NE 2.74Å; D39-R43 IonicContact OD2-NH2 3.17Å; D39-R43 PolarHBondContact OD2-NH2 2.9Å; D39-R43 VanDerWaalsContact OD2-NH2 3.17Å; D39-L44 WeakPolarHBondContact O-CA 3.39Å; D39-L44 PolarHBondContact O-N 3.09Å; D39-L44 VanDerWaalsContact O-N 3.15Å
40L94.4Very high96.1Very high45 Ų4556.6 Ų56.624%0.23630%0.295CS..SBendtrans-84.47.2-176.1-56.1-174.8000113.8L44 F98 V101 K102L40-L44 WeakPolarHBondContact O-CD1 3.38Å; L40-F98 HydrophobicContact CD2-CD2 3.87Å; L40-F98 HydrophobicContact CD2-CE2 3.59Å; L40-F98 HydrophobicContact CD2-CZ 4.23Å; L40-V101 HydrophobicContact CD2-CB 4.13Å; L40-V101 HydrophobicContact CD2-CG1 3.61Å; L40-V101 HydrophobicContact CG-CG1 3.94Å; L40-K102 HydrophobicContact CD1-CB 4.48Å; L40-K102 HydrophobicContact CD1-CG 4.49Å
41L92.3Very high96.2Very high146 Ų14656.2 Ų56.276%0.76430%0.302SS*.SBendtrans-118-60.9-174.9-61.6178.9000112.8D39 L44D39-L41 VanDerWaalsContact C-N 3.26Å; D39-L41 PolarHBondContact O-N 3.33Å; D39-L41 PolarHBondContact OD1-N 3.27Å; D39-L41 VanDerWaalsContact OD1-N 3.08Å; L41-L44 VanDerWaalsContact C-CD1 3.44Å; L41-L44 WeakPolarHBondContact O-CD1 3.36Å
42T94.2Very high96.2Very high80 Ų8059 Ų5949%0.49132%0.315SS..SBendtrans-114.5-32.9-170.368.30000112.6D39 A57D39-T42 PolarHBondContact OD1-N 3.1Å; D39-T42 PolarHBondContact OD1-OG1 3.4Å; D39-T42 PolarHBondContact OD2-OG1 3.41Å; T42-A57 PolarHBondContact O-N 2.86Å
43R96.7Very high96.3Very high91 Ų9156 Ų5634%0.34330%0.303SS..  trans-111.246.3-178.7-66.2180-72.3-151.93110.9S37 Y38 D39 C55S37-R43 WeakPolarHBondContact O-CD 3.36Å; S37-R43 PolarHBondContact O-NE 2.96Å; Y38-R43 WeakPolarHBondContact CA-O 3.31Å; Y38-R43 VanDerWaalsContact CD1-O 3.25Å; Y38-R43 WeakPolarHBondContact CD1-O 3.18Å; D39-R43 PolarHBondContact N-O 3.44Å; D39-R43 VanDerWaalsContact N-O 3.13Å; D39-R43 CarbonylContact O-C 3.58Å; D39-R43 PolarHBondContact OD1-N 3.16Å; D39-R43 WeakPolarHBondContact OD2-CB 3.13Å; D39-R43 IonicContact OD2-CZ 3.45Å; D39-R43 IonicContact OD2-NE 2.85Å; D39-R43 PolarHBondContact OD2-NE 2.74Å; D39-R43 IonicContact OD2-NH2 3.17Å; D39-R43 PolarHBondContact OD2-NH2 2.9Å; D39-R43 VanDerWaalsContact OD2-NH2 3.17Å; R43-C55 HydrophobicContact CB-CB 3.97Å; R43-C55 HydrophobicContact CG-CB 4.12Å
44L97Very high96.3Very high22 Ų2253.2 Ų53.212%0.11529%0.286CS..  trans-63.3136.7169.7-76.879.4000109.5D39 L40 L41 R46 Q56 L93 F98D39-L44 WeakPolarHBondContact O-CA 3.39Å; D39-L44 PolarHBondContact O-N 3.09Å; D39-L44 VanDerWaalsContact O-N 3.15Å; L40-L44 WeakPolarHBondContact O-CD1 3.38Å; L41-L44 VanDerWaalsContact C-CD1 3.44Å; L41-L44 WeakPolarHBondContact O-CD1 3.36Å; L44-R46 PolarHBondContact O-N 3.4Å; L44-Q56 PolarHBondContact O-N 3.21Å; L44-L93 HydrophobicContact CB-CD2 4.1Å; L44-L93 HydrophobicContact CD2-CD2 3.87Å; L44-F98 HydrophobicContact CD2-CD2 4.5Å; L44-F98 HydrophobicContact CD2-CE2 4.24Å
45P97.4Very high96.4Very high0 Ų050.5 Ų50.50%027%0.268CS..EExtended strand (participates in β ladder)trans-74.3118.4176.730.7-33.4000109.7Y38 L93 D94 F98Y38-P45 HydrophobicContact CD1-CB 4.02Å; Y38-P45 HydrophobicContact CD2-CB 4.11Å; Y38-P45 HydrophobicContact CE1-CB 3.98Å; Y38-P45 HydrophobicContact CE2-CB 4.1Å; Y38-P45 HydrophobicContact CG-CB 4.09Å; Y38-P45 HydrophobicContact CG-CG 4.41Å; P45-L93 WeakPolarHBondContact O-CA 3.25Å; P45-D94 HydrophobicContact CB-CB 4.26Å; P45-D94 PolarHBondContact O-N 3.34Å; P45-F98 HydrophobicContact CG-CB 4.27Å
46R97.9Very high96.4Very high24 Ų2443.4 Ų43.49%0.09124%0.237CC..EExtended strand (participates in β ladder)trans-119.1137.3-178.6-70.1-169.6179.8-86.53.7111.1L44 A53 F54 Q56 L59 A88 A89 L91 D92 L93L44-R46 PolarHBondContact O-N 3.4Å; R46-A53 CarbonylContact O-C 3.2Å; R46-A53 VanDerWaalsContact O-CA 3.24Å; R46-A53 WeakPolarHBondContact O-CA 3.31Å; R46-F54 PolarHBondContact N-O 3.24Å; R46-F54 PolarHBondContact O-N 3.24Å; R46-Q56 HydrophobicContact CG-CB 4.37Å; R46-L59 HydrophobicContact CB-CD1 3.57Å; R46-A88 WeakPolarHBondContact CD-O 3.03Å; R46-A88 PolarHBondContact NE-O 3.33Å; R46-A89 VanDerWaalsContact CZ-C 3.47Å; R46-A89 PolarHBondContact NH1-O 3.15Å; R46-A89 VanDerWaalsContact NH2-CA 3.33Å; R46-A89 PolarHBondContact NH2-O 3.48Å; R46-L91 HydrophobicContact CB-CB 4.33Å; R46-L91 PolarHBondContact NH1-O 2.85Å; R46-D92 CarbonylContact C-O 3.52Å; R46-D92 VanDerWaalsContact CA-O 3.29Å; R46-D92 WeakPolarHBondContact CA-O 3.29Å; R46-L93 HydrophobicContact CG-CD2 4.11Å
47R97.8Very high96.6Very high77 Ų7744.2 Ų44.229%0.29124%0.242SC..EExtended strand (participates in β ladder)trans-97130.9-174.2-160.8171.862.3-103.9-9110.4G51 H52 D92 L93R47-G51 WeakPolarHBondContact CD-O 3.47Å; R47-G51 VanDerWaalsContact CG-O 3.31Å; R47-G51 WeakPolarHBondContact CG-O 3.47Å; R47-H52 WeakPolarHBondContact CA-O 3.34Å; R47-D92 HydrophobicContact CB-CB 4.48Å; R47-D92 PolarHBondContact N-O 3.37Å; R47-D92 IonicContact NH2-OD2 3.1Å; R47-D92 PolarHBondContact NH2-OD2 3.01Å; R47-D92 VanDerWaalsContact NH2-OD2 3.1Å; R47-L93 PolarHBondContact NH1-O 2.88Å
48L97.9Very high96.7Very high3 Ų341.2 Ų41.22%0.01622%0.221CC..  trans-80.7167.1168.6-64.9-178.7000109.9C50 G51 H52 F54 L59 I72 C74 T81 L91L48-C50 PolarHBondContact O-N 2.91Å; L48-C50 VanDerWaalsContact O-N 3.1Å; L48-G51 PolarHBondContact O-N 2.8Å; L48-H52 PolarHBondContact N-O 3.02Å; L48-F54 HydrophobicContact CD1-CD2 4.01Å; L48-F54 HydrophobicContact CD1-CE2 3.82Å; L48-F54 HydrophobicContact CG-CD2 4.33Å; L48-F54 HydrophobicContact CG-CE2 4.44Å; L48-L59 HydrophobicContact CD1-CD2 4.35Å; L48-L59 HydrophobicContact CD2-CD1 4.29Å; L48-L59 HydrophobicContact CD2-CD2 4.08Å; L48-L59 HydrophobicContact CG-CD2 4.36Å; L48-I72 HydrophobicContact CD1-CG2 4.5Å; L48-I72 HydrophobicContact CD2-CB 4.21Å; L48-I72 HydrophobicContact CD2-CG2 3.73Å; L48-C74 HydrophobicContact CD1-CB 3.64Å; L48-T81 WeakPolarHBondContact CB-OG1 3.34Å; L48-T81 HydrophobicContact CD2-CG2 4.27Å; L48-L91 HydrophobicContact CD2-CD1 3.77Å
49H96.1Very high96.7Very high103 Ų10340 Ų4048%0.47722%0.216SC..THydrogen-bonded Turntrans-58.6-29.9-178.67080.1000113.2G51 N80 T81H49-G51 PolarHBondContact O-N 3.17Å; H49-N80 PolarHBondContact CD2-O 2.79Å; H49-N80 VanDerWaalsContact CD2-O 3.23Å; H49-N80 PolarHBondContact NE2-O 3.1Å; H49-T81 HydrophobicContact CB-CG2 4.42Å; H49-T81 VanDerWaalsContact CD2-CA 3.41Å; H49-T81 WeakPolarHBondContact CD2-CA 3.41Å; H49-T81 PolarHBondContact CD2-OG1 3.03Å; H49-T81 PolarHBondContact N-OG1 2.77Å
50C97.6Very high96.8Very high39 Ų3943.9 Ų43.926%0.26423%0.232SC..THydrogen-bonded Turntrans-73.1-1178.864.40000113.8L48 H52 C74 C77 Q79L48-C50 PolarHBondContact O-N 2.91Å; L48-C50 VanDerWaalsContact O-N 3.1Å; C50-H52 PolarHBondContact O-N 2.85Å; C50-H52 PolarHBondContact SG-ND1 3.43Å; C50-H52 VanDerWaalsContact SG-ND1 3.36Å; C50-C74 VanDerWaalsContact SG-SG 3.61Å; C50-C77 PolarHBondContact SG-SG 3.42Å; C50-Q79 HydrophobicContact CB-CB 4.04Å; C50-Q79 HydrophobicContact CB-CG 4.32Å
51G96.5Very high96.9Very high45 Ų4551.9 Ų51.946%0.46426%0.259SS..SBendtrans90.3-12.8178.700000115.2R47 L48 H49R47-G51 WeakPolarHBondContact CD-O 3.47Å; R47-G51 VanDerWaalsContact CG-O 3.31Å; R47-G51 WeakPolarHBondContact CG-O 3.47Å; L48-G51 PolarHBondContact O-N 2.8Å; H49-G51 PolarHBondContact O-N 3.17Å
52H97.5Very high97Very high58 Ų5847.1 Ų47.127%0.26923%0.234SC..  trans-74.6144177.5-65108.3000112.4R47 L48 C50 F54 Q76 C77R47-H52 WeakPolarHBondContact CA-O 3.34Å; L48-H52 PolarHBondContact N-O 3.02Å; C50-H52 PolarHBondContact O-N 2.85Å; C50-H52 PolarHBondContact SG-ND1 3.43Å; C50-H52 VanDerWaalsContact SG-ND1 3.36Å; H52-F54 HydrophobicContact CB-CE2 3.65Å; H52-F54 HydrophobicContact CB-CZ 3.98Å; H52-Q76 PolarHBondContact CD2-NE2 3.44Å; H52-Q76 PolarHBondContact CD2-OE1 3.14Å; H52-C77 PolarHBondContact ND1-SG 2.81Å
53A97.2Very high96.9Very high21 Ų2145.6 Ų45.617%0.17422%0.222CC..EExtended strand (participates in β ladder)trans-117.2138.9-175.600000113Y38 R46 D94Y38-A53 PolarHBondContact OH-O 3.18Å; R46-A53 CarbonylContact O-C 3.2Å; R46-A53 VanDerWaalsContact O-CA 3.24Å; R46-A53 WeakPolarHBondContact O-CA 3.31Å; A53-D94 HydrophobicContact CB-CB 3.8Å
54F97.8Very high96.8Very high0 Ų043.8 Ų43.80%022%0.222CC..EExtended strand (participates in β ladder)trans-143.1165.3179.7-53.9-86.3000111.1I32 V33 R46 L48 H52 L59 P75 Q76I32-F54 HydrophobicContact CD1-CE1 3.75Å; I32-F54 HydrophobicContact CG1-CD1 4.04Å; I32-F54 HydrophobicContact CG1-CE1 3.65Å; V33-F54 HydrophobicContact CG2-CD1 3.64Å; V33-F54 HydrophobicContact CG2-CE1 4.08Å; R46-F54 PolarHBondContact N-O 3.24Å; R46-F54 PolarHBondContact O-N 3.24Å; L48-F54 HydrophobicContact CD1-CD2 4.01Å; L48-F54 HydrophobicContact CD1-CE2 3.82Å; L48-F54 HydrophobicContact CG-CD2 4.33Å; L48-F54 HydrophobicContact CG-CE2 4.44Å; H52-F54 HydrophobicContact CB-CE2 3.65Å; H52-F54 HydrophobicContact CB-CZ 3.98Å; F54-L59 HydrophobicContact CB-CD1 4.45Å; F54-L59 HydrophobicContact CB-CD2 3.68Å; F54-L59 HydrophobicContact CB-CG 3.93Å; F54-L59 HydrophobicContact CD2-CD2 3.87Å; F54-L59 HydrophobicContact CG-CD2 4.05Å; F54-P75 HydrophobicContact CD1-CG 4.27Å; F54-P75 HydrophobicContact CE1-CB 3.97Å; F54-P75 HydrophobicContact CE1-CG 3.82Å; F54-P75 HydrophobicContact CE2-CG 4.5Å; F54-P75 HydrophobicContact CZ-CB 4.15Å; F54-P75 VanDerWaalsContact CZ-CD 3.5Å; F54-P75 HydrophobicContact CZ-CG 3.97Å; F54-Q76 HydrophobicContact CE1-CG 4.26Å; F54-Q76 HydrophobicContact CZ-CB 4.46Å; F54-Q76 HydrophobicContact CZ-CG 3.92Å
55C97.9Very high96.7Very high1 Ų148 Ų481%0.00725%0.248CC..EExtended strand (participates in β ladder)trans-66.9138.8178.796.40000110.7C31 Y38 R43 A57 C58 L59C31-C55 HydrophobicContact CB-CB 3.72Å; C31-C55 PolarHBondContact SG-N 3.5Å; Y38-C55 HydrophobicContact CD1-CB 4.21Å; Y38-C55 HydrophobicContact CE1-CB 3.96Å; R43-C55 HydrophobicContact CB-CB 3.97Å; R43-C55 HydrophobicContact CG-CB 4.12Å; C55-A57 VanDerWaalsContact C-N 3.26Å; C55-A57 PolarHBondContact O-N 3.07Å; C55-C58 HydrophobicContact CB-CB 4.23Å; C55-C58 WeakPolarHBondContact CB-SG 3.46Å; C55-C58 WeakPolarHBondContact O-CA 3.39Å; C55-C58 VanDerWaalsContact O-CB 3.22Å; C55-C58 WeakPolarHBondContact O-CB 3.34Å; C55-C58 PolarHBondContact O-N 2.73Å; C55-C58 WeakPolarHBondContact SG-CB 3.44Å; C55-C58 PolarHBondContact SG-N 2.94Å; C55-C58 CovalentContact SG-SG 2.08Å; C55-C58 PolarHBondContact SG-SG 2.81Å; C55-L59 PolarHBondContact O-N 3.09Å
56Q97.7Very high96.4Very high19 Ų1951.2 Ų51.29%0.08927%0.265CS..Hα-helixtrans-52.1-44.6177.1175-177-86.300112.2L44 R46 C58 L59 K60L44-Q56 PolarHBondContact O-N 3.21Å; R46-Q56 HydrophobicContact CG-CB 4.37Å; Q56-C58 PolarHBondContact O-N 3.3Å; Q56-L59 PolarHBondContact O-N 3.16Å; Q56-K60 HydrophobicContact CG-CD 4.47Å; Q56-K60 WeakPolarHBondContact O-CG 3.37Å; Q56-K60 PolarHBondContact O-N 3.4Å
57A97.6Very high96.2Very high29 Ų2957.2 Ų57.224%0.2430%0.299CS..Hα-helixtrans-59.8-32.7178.300000113T42 C55T42-A57 PolarHBondContact O-N 2.86Å; C55-A57 VanDerWaalsContact C-N 3.26Å; C55-A57 PolarHBondContact O-N 3.07Å
58C98.2Very high95.9Very high9 Ų963 Ų636%0.06133%0.329CS..Hα-helixtrans-73.4-49.9178.8-51.10000109.8C31 V33 C34 C55 Q56 K60 R61 L62C31-C58 PolarHBondContact SG-SG 3.48Å; V33-C58 HydrophobicContact CB-CB 4.14Å; V33-C58 HydrophobicContact CG1-CB 4.07Å; C34-C58 PolarHBondContact SG-SG 2.76Å; C55-C58 HydrophobicContact CB-CB 4.23Å; C55-C58 WeakPolarHBondContact CB-SG 3.46Å; C55-C58 WeakPolarHBondContact O-CA 3.39Å; C55-C58 VanDerWaalsContact O-CB 3.22Å; C55-C58 WeakPolarHBondContact O-CB 3.34Å; C55-C58 PolarHBondContact O-N 2.73Å; C55-C58 WeakPolarHBondContact SG-CB 3.44Å; C55-C58 PolarHBondContact SG-N 2.94Å; C55-C58 CovalentContact SG-SG 2.08Å; C55-C58 PolarHBondContact SG-SG 2.81Å; Q56-C58 PolarHBondContact O-N 3.3Å; C58-K60 VanDerWaalsContact C-N 3.27Å; C58-K60 PolarHBondContact O-N 2.73Å; C58-R61 PolarHBondContact O-N 3.27Å; C58-L62 PolarHBondContact O-N 2.84Å
59L97.4Very high95.7Very high0 Ų067 Ų670%035%0.347CS..Hα-helixtrans-59.8-36.3179.2-65.6-176.2000112.7R46 L48 F54 C55 Q56 R61 L62 I72 A88 L91R46-L59 HydrophobicContact CB-CD1 3.57Å; L48-L59 HydrophobicContact CD1-CD2 4.35Å; L48-L59 HydrophobicContact CD2-CD1 4.29Å; L48-L59 HydrophobicContact CD2-CD2 4.08Å; L48-L59 HydrophobicContact CG-CD2 4.36Å; F54-L59 HydrophobicContact CB-CD1 4.45Å; F54-L59 HydrophobicContact CB-CD2 3.68Å; F54-L59 HydrophobicContact CB-CG 3.93Å; F54-L59 HydrophobicContact CD2-CD2 3.87Å; F54-L59 HydrophobicContact CG-CD2 4.05Å; C55-L59 PolarHBondContact O-N 3.09Å; Q56-L59 PolarHBondContact O-N 3.16Å; L59-R61 PolarHBondContact O-N 3.23Å; L59-R61 VanDerWaalsContact O-N 3.13Å; L59-L62 HydrophobicContact CD2-CD1 4.16Å; L59-L62 PolarHBondContact O-N 2.73Å; L59-L62 VanDerWaalsContact O-N 3.15Å; L59-I72 HydrophobicContact CD2-CG2 4Å; L59-A88 HydrophobicContact CB-CB 3.75Å; L59-L91 HydrophobicContact CD1-CD1 3.64Å
60K95.8Very high95.7Very high110 Ų11064 Ų6448%0.47834%0.336SS..THydrogen-bonded Turntrans-58.3-23.2174.6-75.2178.8179.2-179.60113.9Q56 C58 A88Q56-K60 HydrophobicContact CG-CD 4.47Å; Q56-K60 WeakPolarHBondContact O-CG 3.37Å; Q56-K60 PolarHBondContact O-N 3.4Å; C58-K60 VanDerWaalsContact C-N 3.27Å; C58-K60 PolarHBondContact O-N 2.73Å; K60-A88 HydrophobicContact CG-CB 3.81Å
61R96Very high95.6Very high213 Ų21365.6 Ų65.680%0.80434%0.337SS*.THydrogen-bonded Turntrans-99-6.8-177.7-61.8174.8-176.2172.60113.1C58 L59C58-R61 PolarHBondContact O-N 3.27Å; L59-R61 PolarHBondContact O-N 3.23Å; L59-R61 VanDerWaalsContact O-N 3.13Å
62L95.3Very high95.7Very high46 Ų4663.4 Ų63.424%0.24132%0.315CS..  trans-95.5-0.6-176.8-68.5173.5000112.9C58 L59 T64 I72 P73 P75C58-L62 PolarHBondContact O-N 2.84Å; L59-L62 HydrophobicContact CD2-CD1 4.16Å; L59-L62 PolarHBondContact O-N 2.73Å; L59-L62 VanDerWaalsContact O-N 3.15Å; L62-T64 PolarHBondContact O-N 3.38Å; L62-I72 HydrophobicContact CB-CG2 4.23Å; L62-P73 WeakPolarHBondContact O-CD 3.5Å; L62-P75 HydrophobicContact CD1-CG 3.71Å
63D92.3Very high95.7Very high47 Ų4762.2 Ų62.225%0.25131%0.312SS..  trans-55.1130.7-179.8-70.6-26.9000111.5V70 W71 I72 R83D63-V70 HydrophobicContact CB-CG1 3.81Å; D63-W71 CarbonylContact C-O 3.53Å; D63-W71 WeakPolarHBondContact CA-O 3.22Å; D63-I72 WeakPolarHBondContact OD1-CG1 3.44Å; D63-R83 VanDerWaalsContact CG-NE 3.27Å; D63-R83 VanDerWaalsContact OD1-CD 3.27Å; D63-R83 WeakPolarHBondContact OD1-CD 3.21Å; D63-R83 IonicContact OD1-NE 2.75Å; D63-R83 PolarHBondContact OD1-NE 2.73Å; D63-R83 IonicContact OD2-CZ 3.13Å; D63-R83 IonicContact OD2-NE 3.21Å; D63-R83 PolarHBondContact OD2-NE 3.08Å; D63-R83 IonicContact OD2-NH2 2.89Å; D63-R83 PolarHBondContact OD2-NH2 3.13Å
64T93.3Very high95.7Very high54 Ų5461.4 Ų61.433%0.33131%0.305SS..EExtended strand (participates in β ladder)trans-127.2149.9172.562.60000110.3L62 V70 W71 P73L62-T64 PolarHBondContact O-N 3.38Å; T64-V70 CarbonylContact O-C 3.54Å; T64-V70 WeakPolarHBondContact O-CA 3.31Å; T64-W71 PolarHBondContact N-O 2.94Å; T64-W71 PolarHBondContact O-N 3.31Å; T64-P73 HydrophobicContact CG2-CG 4.19Å
65V94.5Very high95.7Very high109 Ų10964.3 Ų64.366%0.66132%0.324SS*.EExtended strand (participates in β ladder)trans-104.5124.5178-176.20000109.2Q69 V70V65-Q69 WeakPolarHBondContact CA-O 3.5Å; V65-V70 HydrophobicContact CG2-CG2 4.41Å
66I91.9Very high95.7Very high69 Ų6969.1 Ų69.135%0.35435%0.346SS..EExtended strand (participates in β ladder)trans-137.9123.9177.5-52172.4000107.2E68 Q69 W71I66-E68 VanDerWaalsContact C-N 3.31Å; I66-E68 PolarHBondContact O-N 3.06Å; I66-Q69 PolarHBondContact N-O 3.46Å; I66-Q69 PolarHBondContact O-N 2.08Å; I66-Q69 VanDerWaalsContact O-N 3.08Å; I66-Q69 VanDerWaalsContact O-O 3.11Å; I66-W71 HydrophobicContact CD1-CG 4.38Å; I66-W71 PolarHBondContact O-NE1 2.93Å
67N93.5Very high95.7Very high150 Ų15070.2 Ų70.280%0.80236%0.356SS*.THydrogen-bonded Turntrans51.348.1-178.4-55.2-34.7000112.5Q69N67-Q69 PolarHBondContact O-N 3.43Å
68E92.8Very high95.6Very high198 Ų19878.7 Ų78.793%0.92538%0.381SS*.THydrogen-bonded Turntrans63.42.6180-50.6179.6103.100115.1I66I66-E68 VanDerWaalsContact C-N 3.31Å; I66-E68 PolarHBondContact O-N 3.06Å
69Q93.2Very high95.6Very high86 Ų8683.4 Ų83.440%0.40240%0.402SS..EExtended strand (participates in β ladder)trans-104.1141.9174.8176.259.66100110.4V65 I66 N67 W71V65-Q69 WeakPolarHBondContact CA-O 3.5Å; I66-Q69 PolarHBondContact N-O 3.46Å; I66-Q69 PolarHBondContact O-N 2.08Å; I66-Q69 VanDerWaalsContact O-N 3.08Å; I66-Q69 VanDerWaalsContact O-O 3.11Å; N67-Q69 PolarHBondContact O-N 3.43Å; Q69-W71 HydrophobicContact CB-CZ2 4.44Å; Q69-W71 HydrophobicContact CG-CD2 4.42Å; Q69-W71 HydrophobicContact CG-CZ2 3.86Å; Q69-W71 PolarHBondContact O-NE1 3.15Å
70V95.3Very high95.5Very high41 Ų4186.5 Ų86.525%0.24842%0.419CS..EExtended strand (participates in β ladder)trans-88.6133.4174.6-1670000110.4D63 T64 V65 R83D63-V70 HydrophobicContact CB-CG1 3.81Å; T64-V70 CarbonylContact O-C 3.54Å; T64-V70 WeakPolarHBondContact O-CA 3.31Å; V65-V70 HydrophobicContact CG2-CG2 4.41Å; V70-R83 HydrophobicContact CB-CB 4.03Å; V70-R83 HydrophobicContact CG1-CB 4.07Å; V70-R83 HydrophobicContact CG1-CG 4.4Å; V70-R83 WeakPolarHBondContact O-CB 3.4Å; V70-R83 PolarHBondContact O-N 3.13Å
71W96.8Very high95.6Very high72 Ų7281.6 Ų81.627%0.27340%0.399SS..EExtended strand (participates in β ladder)trans-127.4154.1-177.6-60.989.1000111.1D63 T64 I66 Q69 N80 T81 P82D63-W71 CarbonylContact C-O 3.53Å; D63-W71 WeakPolarHBondContact CA-O 3.22Å; T64-W71 PolarHBondContact N-O 2.94Å; T64-W71 PolarHBondContact O-N 3.31Å; I66-W71 HydrophobicContact CD1-CG 4.38Å; I66-W71 PolarHBondContact O-NE1 2.93Å; Q69-W71 HydrophobicContact CB-CZ2 4.44Å; Q69-W71 HydrophobicContact CG-CD2 4.42Å; Q69-W71 HydrophobicContact CG-CZ2 3.86Å; Q69-W71 PolarHBondContact O-NE1 3.15Å; W71-N80 HydrophobicContact CB-CB 4.36Å; W71-N80 HydrophobicContact CD2-CB 4.23Å; W71-N80 HydrophobicContact CE3-CB 3.68Å; W71-N80 HydrophobicContact CZ3-CB 4.36Å; W71-T81 CarbonylContact C-O 3.49Å; W71-T81 WeakPolarHBondContact CA-O 3.35Å; W71-P82 HydrophobicContact CE3-CB 4.11Å; W71-P82 HydrophobicContact CH2-CB 4.28Å; W71-P82 HydrophobicContact CZ3-CB 3.81Å; W71-P82 HydrophobicContact CZ3-CG 4.2Å
72I97.7Very high95.6Very high0 Ų074.7 Ų74.70%038%0.381CS..EExtended strand (participates in β ladder)trans-118.1103.6172.8-58.9168.8000107.1L48 L59 L62 D63 T81 R83 A88 L91L48-I72 HydrophobicContact CD1-CG2 4.5Å; L48-I72 HydrophobicContact CD2-CB 4.21Å; L48-I72 HydrophobicContact CD2-CG2 3.73Å; L59-I72 HydrophobicContact CD2-CG2 4Å; L62-I72 HydrophobicContact CB-CG2 4.23Å; D63-I72 WeakPolarHBondContact OD1-CG1 3.44Å; I72-T81 PolarHBondContact N-O 3.48Å; I72-T81 PolarHBondContact O-N 2.86Å; I72-R83 HydrophobicContact CD1-CB 4.31Å; I72-R83 HydrophobicContact CD1-CG 4.13Å; I72-R83 HydrophobicContact CG1-CB 4.33Å; I72-R83 HydrophobicContact CG1-CG 4.48Å; I72-A88 HydrophobicContact CD1-CB 4.38Å; I72-L91 HydrophobicContact CD1-CD1 3.84Å
73P97.3Very high95.6Very high33 Ų3376.8 Ų76.821%0.21439%0.386CS..EExtended strand (participates in β ladder)trans-71.9137.5176.530.5-30.7000110.2L62 T64 P75L62-P73 WeakPolarHBondContact O-CD 3.5Å; T64-P73 HydrophobicContact CG2-CG 4.19Å; P73-P75 VanDerWaalsContact O-CD 3.32Å; P73-P75 WeakPolarHBondContact O-CD 3.49Å
74C97.9Very high95.7Very high3 Ų376.5 Ų76.52%0.0239%0.387CS..  trans-73.9123.1174.6-179.60000111.4L48 C50 Q76 C77 R78 Q79L48-C74 HydrophobicContact CD1-CB 3.64Å; C50-C74 VanDerWaalsContact SG-SG 3.61Å; C74-Q76 PolarHBondContact O-N 2.88Å; C74-Q76 PolarHBondContact SG-N 3.36Å; C74-Q76 VanDerWaalsContact SG-N 3.42Å; C74-C77 PolarHBondContact SG-SG 2.83Å; C74-R78 WeakPolarHBondContact O-CA 3.35Å; C74-R78 PolarHBondContact O-N 3.44Å; C74-Q79 WeakPolarHBondContact CB-O 3.06Å; C74-Q79 PolarHBondContact N-O 3.22Å
75P97.4Very high95.5Very high62 Ų6286.4 Ų86.440%0.40342%0.418SS..THydrogen-bonded Turntrans-59.6-24.1174.7-26.834.7000115.2V33 F54 L62 P73V33-P75 HydrophobicContact CG2-CB 4.25Å; V33-P75 HydrophobicContact CG2-CG 3.82Å; F54-P75 HydrophobicContact CD1-CG 4.27Å; F54-P75 HydrophobicContact CE1-CB 3.97Å; F54-P75 HydrophobicContact CE1-CG 3.82Å; F54-P75 HydrophobicContact CE2-CG 4.5Å; F54-P75 HydrophobicContact CZ-CB 4.15Å; F54-P75 VanDerWaalsContact CZ-CD 3.5Å; F54-P75 HydrophobicContact CZ-CG 3.97Å; L62-P75 HydrophobicContact CD1-CG 3.71Å; P73-P75 VanDerWaalsContact O-CD 3.32Å; P73-P75 WeakPolarHBondContact O-CD 3.49Å
76Q97Very high95.2Very high101 Ų10183.9 Ų83.947%0.47242%0.415SS..THydrogen-bonded Turntrans-90.7-46.7-177-71175.7-95.200113I32 H52 F54 C74I32-Q76 HydrophobicContact CD1-CG 3.47Å; I32-Q76 VanDerWaalsContact CD1-CG 3.47Å; H52-Q76 PolarHBondContact CD2-NE2 3.44Å; H52-Q76 PolarHBondContact CD2-OE1 3.14Å; F54-Q76 HydrophobicContact CE1-CG 4.26Å; F54-Q76 HydrophobicContact CZ-CB 4.46Å; F54-Q76 HydrophobicContact CZ-CG 3.92Å; C74-Q76 PolarHBondContact O-N 2.88Å; C74-Q76 PolarHBondContact SG-N 3.36Å; C74-Q76 VanDerWaalsContact SG-N 3.42Å
77C97.9Very high95.2Very high43 Ų4380.9 Ų80.929%0.29140%0.401SS..THydrogen-bonded Turntrans-121.34.3-171.968.20000114.4C50 H52 C74 Q79C50-C77 PolarHBondContact SG-SG 3.42Å; H52-C77 PolarHBondContact ND1-SG 2.81Å; C74-C77 PolarHBondContact SG-SG 2.83Å; C77-Q79 HydrophobicContact CB-CG 4.48Å; C77-Q79 PolarHBondContact O-N 2.94Å
78R96.4Very high95.2Very high206 Ų20673.8 Ų73.878%0.77736%0.363SS*.  trans62.6-0.3177-55178.7178.2-133.5-1.9116.2C74C74-R78 WeakPolarHBondContact O-CA 3.35Å; C74-R78 PolarHBondContact O-N 3.44Å
79Q97.3Very high95.3Very high108 Ų10866.5 Ų66.551%0.50534%0.336SS..PPolyproline II helixtrans-62.2135.5174.4-67-63.2-50.800111.9C50 C74 C77C50-Q79 HydrophobicContact CB-CB 4.04Å; C50-Q79 HydrophobicContact CB-CG 4.32Å; C74-Q79 WeakPolarHBondContact CB-O 3.06Å; C74-Q79 PolarHBondContact N-O 3.22Å; C77-Q79 HydrophobicContact CB-CG 4.48Å; C77-Q79 PolarHBondContact O-N 2.94Å
80N96.6Very high95.4Very high66 Ų6664.5 Ų64.535%0.35334%0.339SS..EExtended strand (participates in β ladder)trans-92124.3-175.5-60.894000112.1H49 W71H49-N80 PolarHBondContact CD2-O 2.79Å; H49-N80 VanDerWaalsContact CD2-O 3.23Å; H49-N80 PolarHBondContact NE2-O 3.1Å; W71-N80 HydrophobicContact CB-CB 4.36Å; W71-N80 HydrophobicContact CD2-CB 4.23Å; W71-N80 HydrophobicContact CE3-CB 3.68Å; W71-N80 HydrophobicContact CZ3-CB 4.36Å
81T97.4Very high95.4Very high7 Ų763.3 Ų63.34%0.04333%0.331CS..EExtended strand (participates in β ladder)trans-97.9125.1174.4-50.80000111.7L48 H49 W71 I72 R83 L91L48-T81 WeakPolarHBondContact CB-OG1 3.34Å; L48-T81 HydrophobicContact CD2-CG2 4.27Å; H49-T81 HydrophobicContact CB-CG2 4.42Å; H49-T81 VanDerWaalsContact CD2-CA 3.41Å; H49-T81 WeakPolarHBondContact CD2-CA 3.41Å; H49-T81 PolarHBondContact CD2-OG1 3.03Å; H49-T81 PolarHBondContact N-OG1 2.77Å; W71-T81 CarbonylContact C-O 3.49Å; W71-T81 WeakPolarHBondContact CA-O 3.35Å; I72-T81 PolarHBondContact N-O 3.48Å; I72-T81 PolarHBondContact O-N 2.86Å; T81-R83 PolarHBondContact O-N 3.19Å; T81-L91 HydrophobicContact CG2-CD2 3.78Å
82P95.7Very high95.4Very high68 Ų6864.8 Ų64.844%0.44234%0.344SS..EExtended strand (participates in β ladder)trans-63.3127.9175.926.4-31.5000108.5W71 P84W71-P82 HydrophobicContact CE3-CB 4.11Å; W71-P82 HydrophobicContact CH2-CB 4.28Å; W71-P82 HydrophobicContact CZ3-CB 3.81Å; W71-P82 HydrophobicContact CZ3-CG 4.2Å; P82-P84 WeakPolarHBondContact O-CD 3.27Å
83R95.1Very high95.4Very high89 Ų8967.7 Ų67.734%0.33636%0.36SS..PPolyproline II helixtrans-73.2123.2-177.6-175.6-175.1-170.1-121.319.6110D63 V70 I72 T81D63-R83 VanDerWaalsContact CG-NE 3.27Å; D63-R83 VanDerWaalsContact OD1-CD 3.27Å; D63-R83 WeakPolarHBondContact OD1-CD 3.21Å; D63-R83 IonicContact OD1-NE 2.75Å; D63-R83 PolarHBondContact OD1-NE 2.73Å; D63-R83 IonicContact OD2-CZ 3.13Å; D63-R83 IonicContact OD2-NE 3.21Å; D63-R83 PolarHBondContact OD2-NE 3.08Å; D63-R83 IonicContact OD2-NH2 2.89Å; D63-R83 PolarHBondContact OD2-NH2 3.13Å; V70-R83 HydrophobicContact CB-CB 4.03Å; V70-R83 HydrophobicContact CG1-CB 4.07Å; V70-R83 HydrophobicContact CG1-CG 4.4Å; V70-R83 WeakPolarHBondContact O-CB 3.4Å; V70-R83 PolarHBondContact O-N 3.13Å; I72-R83 HydrophobicContact CD1-CB 4.31Å; I72-R83 HydrophobicContact CD1-CG 4.13Å; I72-R83 HydrophobicContact CG1-CB 4.33Å; I72-R83 HydrophobicContact CG1-CG 4.48Å; T81-R83 PolarHBondContact O-N 3.19Å
84P94Very high95.3Very high42 Ų4267.7 Ų67.727%0.27336%0.358SS..PPolyproline II helixtrans-62160.7174.3-22.233.9000112.2P82 G86 G87 L91P82-P84 WeakPolarHBondContact O-CD 3.27Å; P84-G86 PolarHBondContact O-N 2.98Å; P84-G86 VanDerWaalsContact O-N 3.17Å; P84-G87 WeakPolarHBondContact O-CA 2.91Å; P84-G87 PolarHBondContact O-N 3.29Å; P84-L91 HydrophobicContact CG-CD2 3.99Å; P84-L91 HydrophobicContact CG-CG 4.42Å
85R89.2Confident95.2Very high261 Ų26172.6 Ų72.699%0.98538%0.383SS*.THydrogen-bonded Turntrans-56.7-32.3175.9-71.6-175.8-178.9-90.80.3113G87R85-G87 PolarHBondContact O-N 3.06Å
86G89.1Confident95.1Very high57 Ų5773 Ų7359%0.58839%0.392SS*.THydrogen-bonded Turntrans-77.110.2173.200000115.1P84P84-G86 PolarHBondContact O-N 2.98Å; P84-G86 VanDerWaalsContact O-N 3.17Å
87G92.2Very high94.9Very high6 Ų669 Ų696%0.06238%0.375CS..G310 helixtrans64.9-155.3-17400000112.5P84 R85 A89 G90P84-G87 WeakPolarHBondContact O-CA 2.91Å; P84-G87 PolarHBondContact O-N 3.29Å; R85-G87 PolarHBondContact O-N 3.06Å; G87-A89 PolarHBondContact O-N 3.29Å; G87-G90 PolarHBondContact O-N 3Å
88A93.4Very high94.8Very high1 Ų169.2 Ų69.21%0.00837%0.371CS..G310 helixtrans-56.4-24.2176.200000112.8R46 L59 K60 I72 G90 L91R46-A88 WeakPolarHBondContact CD-O 3.03Å; R46-A88 PolarHBondContact NE-O 3.33Å; L59-A88 HydrophobicContact CB-CB 3.75Å; K60-A88 HydrophobicContact CG-CB 3.81Å; I72-A88 HydrophobicContact CD1-CB 4.38Å; A88-G90 PolarHBondContact O-N 2.85Å; A88-L91 PolarHBondContact O-N 3.24Å
89A94.3Very high94.7Very high45 Ų4563.8 Ų63.837%0.37236%0.357SS..G310 helixtrans-69.7-14.9177.700000114.2R46 G87R46-A89 VanDerWaalsContact CZ-C 3.47Å; R46-A89 PolarHBondContact NH1-O 3.15Å; R46-A89 VanDerWaalsContact NH2-CA 3.33Å; R46-A89 PolarHBondContact NH2-O 3.48Å; G87-A89 PolarHBondContact O-N 3.29Å
90G94.9Very high94.5Very high44 Ų4460 Ų6045%0.45434%0.344SS..G310 helixtrans-90-0.8175.900000114.6G87 A88G87-G90 PolarHBondContact O-N 3Å; A88-G90 PolarHBondContact O-N 2.85Å
91L96.6Very high94.3Very high16 Ų1657.3 Ų57.38%0.08433%0.33CS..SBendtrans-78152.7175.2-64.9171.5000111.1R46 L48 L59 I72 T81 P84 A88R46-L91 HydrophobicContact CB-CB 4.33Å; R46-L91 PolarHBondContact NH1-O 2.85Å; L48-L91 HydrophobicContact CD2-CD1 3.77Å; L59-L91 HydrophobicContact CD1-CD1 3.64Å; I72-L91 HydrophobicContact CD1-CD1 3.84Å; T81-L91 HydrophobicContact CG2-CD2 3.78Å; P84-L91 HydrophobicContact CG-CD2 3.99Å; P84-L91 HydrophobicContact CG-CG 4.42Å; A88-L91 PolarHBondContact O-N 3.24Å
92D96.7Very high94.1Very high103 Ų10362.2 Ų62.255%0.55135%0.351SS*.PPolyproline II helixtrans-56146.1176.4-69.1-22.2000111.9R46 R47R46-D92 CarbonylContact C-O 3.52Å; R46-D92 VanDerWaalsContact CA-O 3.29Å; R46-D92 WeakPolarHBondContact CA-O 3.29Å; R47-D92 HydrophobicContact CB-CB 4.48Å; R47-D92 PolarHBondContact N-O 3.37Å; R47-D92 IonicContact NH2-OD2 3.1Å; R47-D92 PolarHBondContact NH2-OD2 3.01Å; R47-D92 VanDerWaalsContact NH2-OD2 3.1Å
93L96.9Very high93.8Very high61 Ų6161.7 Ų61.732%0.31935%0.352SS..BIsolated β-bridgetrans-77.2143.2168.2-65.2175.5000109.8L44 P45 R46 R47 L95 F98L44-L93 HydrophobicContact CB-CD2 4.1Å; L44-L93 HydrophobicContact CD2-CD2 3.87Å; P45-L93 WeakPolarHBondContact O-CA 3.25Å; R46-L93 HydrophobicContact CG-CD2 4.11Å; R47-L93 PolarHBondContact NH1-O 2.88Å; L93-L95 PolarHBondContact O-N 2.9Å; L93-L95 VanDerWaalsContact O-N 3.15Å; L93-F98 HydrophobicContact CD1-CD2 4.2Å; L93-F98 HydrophobicContact CD1-CE2 4.35Å; L93-F98 HydrophobicContact CD1-CG 4.5Å
94D96.4Very high93.3Very high33 Ų3360.8 Ų60.818%0.17635%0.352CS..  trans-75.599.3160.7179.341.9000109.1P45 A53 A96 S97 F98P45-D94 HydrophobicContact CB-CB 4.26Å; P45-D94 PolarHBondContact O-N 3.34Å; A53-D94 HydrophobicContact CB-CB 3.8Å; D94-A96 VanDerWaalsContact C-N 3.27Å; D94-A96 PolarHBondContact O-N 3.43Å; D94-S97 PolarHBondContact O-N 3.49Å; D94-S97 WeakPolarHBondContact OD2-CB 3.4Å; D94-S97 PolarHBondContact OD2-N 3.48Å; D94-S97 VanDerWaalsContact OD2-N 3.12Å; D94-S97 PolarHBondContact OD2-OG 3.46Å; D94-F98 VanDerWaalsContact O-CB 3.31Å; D94-F98 WeakPolarHBondContact O-CB 3.24Å; D94-F98 PolarHBondContact O-N 3.4Å
95L95.3Very high92.4Very high105 Ų10563.6 Ų63.655%0.5536%0.361SS..Hα-helixtrans-62.3-36.6-171-175.560.3000111.8L93 F98 L99L93-L95 PolarHBondContact O-N 2.9Å; L93-L95 VanDerWaalsContact O-N 3.15Å; L95-F98 PolarHBondContact O-N 2.56Å; L95-L99 HydrophobicContact CD1-CD1 3.94Å; L95-L99 HydrophobicContact CD1-CD2 4.33Å; L95-L99 HydrophobicContact CD1-CG 3.85Å; L95-L99 HydrophobicContact CG-CD1 3.84Å; L95-L99 HydrophobicContact CG-CG 4.19Å; L95-L99 WeakPolarHBondContact O-CB 3.22Å; L95-L99 VanDerWaalsContact O-CG 3.22Å; L95-L99 WeakPolarHBondContact O-CG 3.44Å; L95-L99 PolarHBondContact O-N 3.25Å
96A94Very high91.6Very high71 Ų7155.4 Ų55.459%0.58734%0.34SS*.Hα-helixtrans-61.9-53.3178.400000111.2D94 F98 A100D94-A96 VanDerWaalsContact C-N 3.27Å; D94-A96 PolarHBondContact O-N 3.43Å; A96-F98 PolarHBondContact O-N 3.27Å; A96-A100 WeakPolarHBondContact O-CB 3.21Å; A96-A100 PolarHBondContact O-N 2.85Å
97S94.6Very high90.4Very high18 Ų1859 Ų5913%0.12634%0.34CS..Hα-helixtrans-63.9-41.1176.5-62.40000112.1D94 A100 V101D94-S97 PolarHBondContact O-N 3.49Å; D94-S97 WeakPolarHBondContact OD2-CB 3.4Å; D94-S97 PolarHBondContact OD2-N 3.48Å; D94-S97 VanDerWaalsContact OD2-N 3.12Å; D94-S97 PolarHBondContact OD2-OG 3.46Å; S97-A100 PolarHBondContact O-N 3.32Å; S97-V101 VanDerWaalsContact O-CG2 3.31Å; S97-V101 WeakPolarHBondContact O-CG2 3.44Å; S97-V101 PolarHBondContact O-N 2.89Å
98F95.1Very high88.9Confident46 Ų4663.1 Ų63.120%0.20236%0.364CS..Hα-helixtrans-61-47.5179.4177.1-94.3000112.4L40 L44 P45 L93 D94 L95 A96 A100 V101 K102L40-F98 HydrophobicContact CD2-CD2 3.87Å; L40-F98 HydrophobicContact CD2-CE2 3.59Å; L40-F98 HydrophobicContact CD2-CZ 4.23Å; L44-F98 HydrophobicContact CD2-CD2 4.5Å; L44-F98 HydrophobicContact CD2-CE2 4.24Å; P45-F98 HydrophobicContact CG-CB 4.27Å; L93-F98 HydrophobicContact CD1-CD2 4.2Å; L93-F98 HydrophobicContact CD1-CE2 4.35Å; L93-F98 HydrophobicContact CD1-CG 4.5Å; D94-F98 VanDerWaalsContact O-CB 3.31Å; D94-F98 WeakPolarHBondContact O-CB 3.24Å; D94-F98 PolarHBondContact O-N 3.4Å; L95-F98 PolarHBondContact O-N 2.56Å; A96-F98 PolarHBondContact O-N 3.27Å; F98-A100 VanDerWaalsContact C-N 3.31Å; F98-A100 PolarHBondContact O-N 3.12Å; F98-V101 PolarHBondContact O-N 3.03Å; F98-K102 WeakPolarHBondContact O-CB 3.35Å; F98-K102 PolarHBondContact O-N 3.3Å
99L94.3Very high87.3Confident92 Ų9266.5 Ų66.548%0.48239%0.387SS..Hα-helixtrans-64.4-38.3176.8-69.7175.2000111.4L95 K102 A103L95-L99 HydrophobicContact CD1-CD1 3.94Å; L95-L99 HydrophobicContact CD1-CD2 4.33Å; L95-L99 HydrophobicContact CD1-CG 3.85Å; L95-L99 HydrophobicContact CG-CD1 3.84Å; L95-L99 HydrophobicContact CG-CG 4.19Å; L95-L99 WeakPolarHBondContact O-CB 3.22Å; L95-L99 VanDerWaalsContact O-CG 3.22Å; L95-L99 WeakPolarHBondContact O-CG 3.44Å; L95-L99 PolarHBondContact O-N 3.25Å; L99-K102 PolarHBondContact O-N 3.29Å; L99-A103 WeakPolarHBondContact O-CB 3.32Å; L99-A103 PolarHBondContact O-N 3.32Å
100A92.8Very high85.3Confident28 Ų2867.4 Ų67.423%0.23139%0.39CS..Hα-helixtrans-63.4-43.817500000112L29 A96 S97 F98 K102 A103 Q104L29-A100 HydrophobicContact CD1-CB 3.71Å; L29-A100 HydrophobicContact CD2-CB 3.84Å; L29-A100 HydrophobicContact CG-CB 4.36Å; A96-A100 WeakPolarHBondContact O-CB 3.21Å; A96-A100 PolarHBondContact O-N 2.85Å; S97-A100 PolarHBondContact O-N 3.32Å; F98-A100 VanDerWaalsContact C-N 3.31Å; F98-A100 PolarHBondContact O-N 3.12Å; A100-K102 VanDerWaalsContact C-N 3.34Å; A100-K102 PolarHBondContact O-N 2.97Å; A100-A103 PolarHBondContact O-N 2.71Å; A100-Q104 WeakPolarHBondContact O-CG 3.36Å; A100-Q104 PolarHBondContact O-N 2.99Å; A100-Q104 VanDerWaalsContact O-N 3.1Å
101V92.9Very high83.4Confident10 Ų1067.9 Ų67.96%0.06139%0.386CS..Hα-helixtrans-60.4-45.5174173.80000110.3L29 L40 S97 F98 A103 Q104 Q105L29-V101 HydrophobicContact CB-CG2 4.46Å; L29-V101 HydrophobicContact CD1-CB 4.41Å; L29-V101 HydrophobicContact CD1-CG2 3.73Å; L40-V101 HydrophobicContact CD2-CB 4.13Å; L40-V101 HydrophobicContact CD2-CG1 3.61Å; L40-V101 HydrophobicContact CG-CG1 3.94Å; S97-V101 VanDerWaalsContact O-CG2 3.31Å; S97-V101 WeakPolarHBondContact O-CG2 3.44Å; S97-V101 PolarHBondContact O-N 2.89Å; F98-V101 PolarHBondContact O-N 3.03Å; V101-A103 PolarHBondContact O-N 2.75Å; V101-Q104 PolarHBondContact O-N 3.21Å; V101-Q105 PolarHBondContact O-N 2.78Å
102K91.9Very high81.3Confident110 Ų11070.7 Ų70.748%0.47841%0.407SS..Hα-helixtrans-61-43.2179.4-170.1179179.2-177.90111.8L40 F98 L99 A100 Q104 Q105 T106L40-K102 HydrophobicContact CD1-CB 4.48Å; L40-K102 HydrophobicContact CD1-CG 4.49Å; F98-K102 WeakPolarHBondContact O-CB 3.35Å; F98-K102 PolarHBondContact O-N 3.3Å; L99-K102 PolarHBondContact O-N 3.29Å; A100-K102 VanDerWaalsContact C-N 3.34Å; A100-K102 PolarHBondContact O-N 2.97Å; K102-Q104 VanDerWaalsContact C-N 3.32Å; K102-Q104 PolarHBondContact O-N 3.04Å; K102-Q105 PolarHBondContact O-N 2.79Å; K102-T106 PolarHBondContact O-N 3.36Å; K102-T106 VanDerWaalsContact O-N 3.16Å
103A90.3Very high79.3Confident57 Ų5770.5 Ų70.547%0.47141%0.414SS..Hα-helixtrans-65.2-32.3177.400000113.1L99 A100 V101 T106 F107L99-A103 WeakPolarHBondContact O-CB 3.32Å; L99-A103 PolarHBondContact O-N 3.32Å; A100-A103 PolarHBondContact O-N 2.71Å; V101-A103 PolarHBondContact O-N 2.75Å; A103-T106 WeakPolarHBondContact CA-OG1 3.34Å; A103-T106 PolarHBondContact O-OG1 2.78Å; A103-F107 PolarHBondContact O-N 2.94Å
104Q84Confident77.2Confident71 Ų7171.6 Ų71.633%0.33243%0.427SS..Hα-helixtrans-68.1-39.2174.1-69.5-17429.500111.8A100 V101 K102 F107 V108A100-Q104 WeakPolarHBondContact O-CG 3.36Å; A100-Q104 PolarHBondContact O-N 2.99Å; A100-Q104 VanDerWaalsContact O-N 3.1Å; V101-Q104 PolarHBondContact O-N 3.21Å; K102-Q104 VanDerWaalsContact C-N 3.32Å; K102-Q104 PolarHBondContact O-N 3.04Å; Q104-F107 PolarHBondContact O-N 3.15Å; Q104-V108 WeakPolarHBondContact O-CG2 3.4Å; Q104-V108 PolarHBondContact O-N 3.42Å
105Q75.9Confident74.9Confident101 Ų10179.8 Ų79.847%0.47246%0.455SS..Hα-helixtrans-72.1-33.6-177.8-151.7166.973.100112.8V101 K102 F107 S109V101-Q105 PolarHBondContact O-N 2.78Å; K102-Q105 PolarHBondContact O-N 2.79Å; Q105-F107 VanDerWaalsContact C-N 3.3Å; Q105-F107 PolarHBondContact O-N 3.34Å; Q105-S109 PolarHBondContact O-N 3.49Å; Q105-S109 VanDerWaalsContact O-N 3.16Å; Q105-S109 PolarHBondContact O-OG 3.42Å
106T73.1Confident72.2Confident88 Ų8879.8 Ų79.854%0.5446%0.464SS..Hα-helixtrans-63.9-37.3170.253.80000111.5K102 A103 S109 C110K102-T106 PolarHBondContact O-N 3.36Å; K102-T106 VanDerWaalsContact O-N 3.16Å; A103-T106 WeakPolarHBondContact CA-OG1 3.34Å; A103-T106 PolarHBondContact O-OG1 2.78Å; T106-S109 PolarHBondContact O-N 2.87Å; T106-C110 PolarHBondContact O-N 3.47Å
107F62.9Low69.6Low134 Ų13482.2 Ų82.259%0.58847%0.474SS*.Hα-helixtrans-74.1-36.5179.1-168.1-96000113.3A103 Q104 Q105 S109 C110 S111A103-F107 PolarHBondContact O-N 2.94Å; Q104-F107 PolarHBondContact O-N 3.15Å; Q105-F107 VanDerWaalsContact C-N 3.3Å; Q105-F107 PolarHBondContact O-N 3.34Å; F107-S109 PolarHBondContact O-N 3.22Å; F107-C110 VanDerWaalsContact CA-SG 3.59Å; F107-C110 PolarHBondContact O-N 3.32Å; F107-C110 PolarHBondContact O-SG 2.87Å; F107-S111 WeakPolarHBondContact CE1-OG 3.41Å; F107-S111 WeakPolarHBondContact O-CB 3.33Å; F107-S111 PolarHBondContact O-N 2.91Å; F107-S111 PolarHBondContact O-OG 2.89Å
108V61.4Low67Low91 Ų9186 Ų8655%0.55251%0.506SS*.Hα-helixtrans-62.8-36.1172.3174.40000110.9Q104 S111 S112Q104-V108 WeakPolarHBondContact O-CG2 3.4Å; Q104-V108 PolarHBondContact O-N 3.42Å; V108-S111 PolarHBondContact O-N 3.18Å; V108-S112 PolarHBondContact O-N 3.45Å; V108-S112 VanDerWaalsContact O-N 3.07Å; V108-S112 PolarHBondContact O-OG 2.98Å
109S58.8Low64.4Low73 Ų7392.1 Ų92.151%0.5154%0.54SS..Hα-helixtrans-67-37.6178.2-55.40000112.5Q105 T106 F107 S113Q105-S109 PolarHBondContact O-N 3.49Å; Q105-S109 VanDerWaalsContact O-N 3.16Å; Q105-S109 PolarHBondContact O-OG 3.42Å; T106-S109 PolarHBondContact O-N 2.87Å; F107-S109 PolarHBondContact O-N 3.22Å; S109-S113 PolarHBondContact O-OG 2.77Å; S109-S113 VanDerWaalsContact O-OG 3.1Å
110C52.3Low61.8Low64 Ų6499.4 Ų99.443%0.43256%0.561SS.*Hα-helixtrans-79.7-31.1174.869.20000113.3T106 F107 S112 S113 S114T106-C110 PolarHBondContact O-N 3.47Å; F107-C110 VanDerWaalsContact CA-SG 3.59Å; F107-C110 PolarHBondContact O-N 3.32Å; F107-C110 PolarHBondContact O-SG 2.87Å; C110-S112 PolarHBondContact O-N 2.77Å; C110-S113 CarbonylContact O-C 3.52Å; C110-S113 WeakPolarHBondContact O-CA 3.46Å; C110-S113 PolarHBondContact O-N 3.27Å; C110-S114 PolarHBondContact O-N 2.96Å; C110-S114 VanDerWaalsContact O-N 3.09Å; C110-S114 PolarHBondContact O-OG 3.17Å
111S54.2Low58.9Low53 Ų53101.8 Ų101.837%0.37159%0.589SS.*Hα-helixtrans-64.9-25.1172.7-55.90000112.5F107 V108 S113 S114F107-S111 WeakPolarHBondContact CE1-OG 3.41Å; F107-S111 WeakPolarHBondContact O-CB 3.33Å; F107-S111 PolarHBondContact O-N 2.91Å; F107-S111 PolarHBondContact O-OG 2.89Å; V108-S111 PolarHBondContact O-N 3.18Å; S111-S113 VanDerWaalsContact C-N 3.31Å; S111-S114 PolarHBondContact O-OG 2.9Å
112S53Low56Low75 Ų75105.1 Ų105.152%0.52463%0.625SS.*THydrogen-bonded Turntrans-78.4-18.7172.4-53.70000112.6V108 C110V108-S112 PolarHBondContact O-N 3.45Å; V108-S112 VanDerWaalsContact O-N 3.07Å; V108-S112 PolarHBondContact O-OG 2.98Å; C110-S112 PolarHBondContact O-N 2.77Å
113S56.1Low53.4Low100 Ų100104.5 Ų104.570%0.69964%0.64SS**THydrogen-bonded Turntrans-99.8-8-178.7-54.20000113.2S109 C110 S111 R115S109-S113 PolarHBondContact O-OG 2.77Å; S109-S113 VanDerWaalsContact O-OG 3.1Å; C110-S113 CarbonylContact O-C 3.52Å; C110-S113 WeakPolarHBondContact O-CA 3.46Å; C110-S113 PolarHBondContact O-N 3.27Å; S111-S113 VanDerWaalsContact C-N 3.31Å; S113-R115 VanDerWaalsContact C-N 3.34Å
114S52.6Low50.5Low83 Ų83107.7 Ų107.758%0.5866%0.659SS**  trans-92.220.5177.151.30000114.5C110 S111 S116C110-S114 PolarHBondContact O-N 2.96Å; C110-S114 VanDerWaalsContact O-N 3.09Å; C110-S114 PolarHBondContact O-OG 3.17Å; S111-S114 PolarHBondContact O-OG 2.9Å; S114-S116 VanDerWaalsContact C-N 3.34Å; S114-S116 PolarHBondContact O-N 3.4Å
115R46.5Very low48.6Very low206 Ų206109.6 Ų109.678%0.77768%0.68SS**  trans-85.283.3154.1-83.1-177-86-113.2-1.5108.7S113 P117S113-R115 VanDerWaalsContact C-N 3.34Å; R115-P117 WeakPolarHBondContact O-CD 3.31Å
116S39.6Very low47Very low105 Ų105113 Ų11373%0.73470%0.696SS**  trans-59.2125159.7-1.60000108.1S114 A118S114-S116 VanDerWaalsContact C-N 3.34Å; S114-S116 PolarHBondContact O-N 3.4Å; S116-A118 PolarHBondContact O-N 2.84Å; S116-A118 VanDerWaalsContact O-N 3.13Å
117P40Very low45.2Very low121 Ų121115.8 Ų115.879%0.78671%0.707SS**  trans-72107.4168.528.2-27.9000107.3R115 L119R115-P117 WeakPolarHBondContact O-CD 3.31Å; P117-L119 PolarHBondContact O-N 3.1Å
118A38.5Very low44.2Very low98 Ų98112 Ų11281%0.8171%0.706SS**  trans-62.6117.916400000108S116 R120S116-A118 PolarHBondContact O-N 2.84Å; S116-A118 VanDerWaalsContact O-N 3.13Å; A118-R120 PolarHBondContact O-N 3.49Å
119L41.8Very low43.5Very low175 Ų175116.6 Ų116.692%0.91672%0.719SS**  trans-53.2120.3170.6-117.388.6000109.7P117P117-L119 PolarHBondContact O-N 3.1Å
120R38.9Very low42.5Very low244 Ų244121 Ų12192%0.92174%0.736SS**  trans-141.3109.8147.1-144.6178.6-70.5-92.43.4107.3A118A118-R120 PolarHBondContact O-N 3.49Å
121G31.3Very low42Very low78 Ų78130.2 Ų130.280%0.80476%0.761SS**  trans-74.1158.5-179.100000113
122G32.3Very low41.7Very low80 Ų80135.6 Ų135.683%0.82579%0.785SS**  trans143.894.7167.800000113.2
123A37Very low40.8Very low97 Ų97135.8 Ų135.880%0.80280%0.799SS**  trans-57.1151.9-178.100000114.2
124S31Very low40.2Very low124 Ų124140.3 Ų140.387%0.86781%0.806SS**  -166.1145.786.9-630000112.7
125S43.6Very low39.4Very low111 Ų111145 Ų14578%0.77682%0.819SS**  trans-69.4135.1-178.6-178.10000114
126H41.8Very low39.3Very low174 Ų174141 Ų14181%0.80682%0.817SS**  -170.1136.5117.840.5-119.2000114.1
127D35.9Very low39.2Very low145 Ų145141.8 Ų141.878%0.77582%0.819SS**  trans69.798.2141.7-125.1-106.6000121.4
128G41.8Very low39.7Very low54 Ų54142.3 Ų142.356%0.55782%0.816SS**  42.6105.211600000118.1
129K46.4Very low40Very low188 Ų188144 Ų14482%0.81781%0.811SS**  -179.5136.7112.153.4-166.8131.9-71.40112
130L38.7Very low40.1Very low166 Ų166139.3 Ų139.387%0.86979%0.793SS**  trans-41.8134.8173.7-73.7134000113.7L132L130-L132 VanDerWaalsContact C-N 3.33Å; L130-L132 PolarHBondContact O-N 2.94Å
131W40.3Very low40.3Very low257 Ų257137.7 Ų137.797%0.97379%0.787SS**  trans-64.891.5165.4-60.981000109.3
132L48.9Very low41.2Very low167 Ų167144.6 Ų144.687%0.87479%0.789SS**  trans-114.674159.9-148.175.5000107.4L130 K134L130-L132 VanDerWaalsContact C-N 3.33Å; L130-L132 PolarHBondContact O-N 2.94Å; L132-K134 PolarHBondContact O-N 3.36Å
133G33.2Very low42.2Very low78 Ų78148.5 Ų148.580%0.80479%0.785SS**  trans-75.994.3167.100000108.8E135G133-E135 PolarHBondContact O-N 3.18Å
134K44.6Very low42.5Very low196 Ų196147.8 Ų147.885%0.85279%0.787SS**  trans-70.6114.8166.9-179.2178.1179.3-173.10107.9L132L132-K134 PolarHBondContact O-N 3.36Å
135E34.8Very low42.8Very low181 Ų181145.4 Ų145.485%0.84678%0.783SS**  trans-122.8109.216166.8-174.1139.800109.3G133G133-E135 PolarHBondContact O-N 3.18Å
136V43.9Very low43.3Very low121 Ų121148.4 Ų148.473%0.73379%0.789SS**  trans-173.4119141.81590000104.5
137P38Very low43.2Very low122 Ų122144.7 Ų144.779%0.79279%0.788SS**  -130122.2105.610.411.3000110.9
138D52Low43.7Very low133 Ų133144.2 Ų144.271%0.71178%0.782SS**  5496.599.3-163.2-116.1000114.4
139D44Very low44Very low133 Ų133146 Ų14671%0.71178%0.783SS**  -169149.8124.3-167.6-92.8000110
140S43.3Very low44.1Very low77 Ų77146.9 Ų146.954%0.53878%0.782SS.*  trans90.348.9170.8-75.20000118.1R142S140-R142 VanDerWaalsContact C-N 3.33Å; S140-R142 PolarHBondContact O-N 3.1Å; S140-R142 VanDerWaalsContact O-N 3.17Å
141W43.3Very low44.3Very low209 Ų209147.8 Ų147.879%0.79278%0.779SS**  trans-69.792.5141.1-74.664.6000109.4H143W141-H143 AromaticContact CE3-CE1 3.79Å; W141-H143 AromaticContact CE3-NE2 3.77Å; W141-H143 PolarHBondContact O-N 3.45Å; W141-H143 VanDerWaalsContact O-N 3.14Å
142R51.4Low44.4Very low223 Ų223143.4 Ų143.484%0.84277%0.769SS**  trans-78.192163.8-73.4-79.1152.5175.4-7.7108.2S140 G144S140-R142 VanDerWaalsContact C-N 3.33Å; S140-R142 PolarHBondContact O-N 3.1Å; S140-R142 VanDerWaalsContact O-N 3.17Å; R142-G144 PolarHBondContact O-N 2.93Å
143H52.6Low44.4Very low163 Ų163146.2 Ų146.276%0.75577%0.768SS**  trans-66.5115.7161.3-69.7-79.7000108.7W141W141-H143 AromaticContact CE3-CE1 3.79Å; W141-H143 AromaticContact CE3-NE2 3.77Å; W141-H143 PolarHBondContact O-N 3.45Å; W141-H143 VanDerWaalsContact O-N 3.14Å
144G43Very low45.1Very low82 Ų82153.3 Ų153.385%0.84577%0.772SS**  trans-161.497.1175.500000110.2R142R142-G144 PolarHBondContact O-N 2.93Å
145G37.4Very low44.8Very low74 Ų74146.5 Ų146.576%0.76376%0.757SS**  trans126.290.1165.300000113.8A147G145-A147 PolarHBondContact O-N 3.47Å
146L53.1Low45.3Very low173 Ų173145 Ų14591%0.90675%0.754SS**  trans-54.698.7155.6-75.4162000108.7E148L146-E148 VanDerWaalsContact C-N 3.31Å; L146-E148 PolarHBondContact O-N 2.04Å
147A41.3Very low45.4Very low97 Ų97145 Ų14580%0.80276%0.758SS**  trans-87.386.2157.200000106.9G145G145-A147 PolarHBondContact O-N 3.47Å
148E45.7Very low46.1Very low135 Ų135144.9 Ų144.963%0.63176%0.759SS**  trans-34.8127.5167.2-157.789.488.900110.9L146 R150L146-E148 VanDerWaalsContact C-N 3.31Å; L146-E148 PolarHBondContact O-N 2.04Å; E148-R150 VanDerWaalsContact C-N 3.31Å; E148-R150 PolarHBondContact O-N 2.94Å
149P47.1Very low46Very low91 Ų91144.8 Ų144.859%0.59177%0.766SS**  trans-67.4101161.54.88.5000105.9F151P149-F151 HydrophobicContact CB-CD2 3.78Å; P149-F151 HydrophobicContact CB-CE2 3.63Å; P149-F151 HydrophobicContact CG-CD2 4.45Å; P149-F151 HydrophobicContact CG-CE2 4.15Å; P149-F151 PolarHBondContact O-N 3.08Å
150R50.5Low46Very low207 Ų207141.5 Ų141.578%0.78176%0.764SS**  trans-68.675.3168.1-74.9-169.4168.492.60.4108.7E148 H152E148-R150 VanDerWaalsContact C-N 3.31Å; E148-R150 PolarHBondContact O-N 2.94Å; R150-H152 PolarHBondContact O-N 3.33Å
151F42.2Very low46.4Very low185 Ų185146 Ų14681%0.81178%0.781SS**  trans-62.578.4151.6-68.7-78.1000107.2P149 R153P149-F151 HydrophobicContact CB-CD2 3.78Å; P149-F151 HydrophobicContact CB-CE2 3.63Å; P149-F151 HydrophobicContact CG-CD2 4.45Å; P149-F151 HydrophobicContact CG-CE2 4.15Å; P149-F151 PolarHBondContact O-N 3.08Å; F151-R153 PolarHBondContact O-N 3.36Å
152H42.8Very low47.1Very low165 Ų165141.6 Ų141.676%0.76478%0.782SS**  trans-78.588.3160.2-102-79.5000107.5R150R150-H152 PolarHBondContact O-N 3.33Å
153R48.9Very low47.2Very low226 Ų226135 Ų13585%0.85377%0.769SS**  trans-76.8134.7157.4-120.2-169.2168.5160.8-1.1108.2F151F151-R153 PolarHBondContact O-N 3.36Å
154Y46.8Very low47.2Very low227 Ų227140.1 Ų140.189%0.8978%0.782SS**  trans78.6126.2158.7-126-95000118.4
155G38.4Very low47.7Very low52 Ų52147.3 Ų147.354%0.53678%0.784SS.*  trans15186.2167.300000113.5
156D44.7Very low48.6Very low149 Ų149147.4 Ų147.480%0.79777%0.772SS**  trans73.491.7145.8-43.1-51.1000117.4
157C47.7Very low48.8Very low121 Ų121144.9 Ų144.982%0.81877%0.768SS**  40.890.379.7-67.10000113.7
158C53.1Low49.1Very low120 Ų120151.4 Ų151.481%0.81177%0.771SS**  trans54.3115.5146.1-55.60000119.3G160C158-G160 PolarHBondContact O-N 2.7Å
159P48.3Very low49Very low132 Ų132154.5 Ų154.586%0.85778%0.783SS**  trans-81.6109.9142.729.1-20.1000109.1
160G44.8Very low48.7Very low64 Ų64159.7 Ų159.766%0.6682%0.82SS**SBendtrans47.7110.5140.500000120.1C158C158-G160 PolarHBondContact O-N 2.7Å
161L51.8Low48.6Very low170 Ų170157.4 Ų157.489%0.8982%0.822SS**SBendtrans69.2110.7149.3-10565000118.5
162S57.6Low48.9Very low118 Ų118155.9 Ų155.983%0.82582%0.822SS**  trans85.773.4155.6-43.40000117.6
163C54.1Low49.2Very low85 Ų85155.4 Ų155.457%0.57483%0.825SS**  trans-129.826.1165.5-144.80000113.7R165 C166C163-R165 PolarHBondContact O-N 3.23Å; C163-C166 WeakPolarHBondContact CA-SG 3.02Å; C163-C166 HydrophobicContact CB-CB 4.32Å; C163-C166 WeakPolarHBondContact CB-SG 3.24Å; C163-C166 PolarHBondContact O-N 3.27Å; C163-C166 PolarHBondContact O-SG 2.9Å; C163-C166 VanDerWaalsContact O-SG 3.42Å; C163-C166 WeakPolarHBondContact SG-CB 3.47Å; C163-C166 CovalentContact SG-SG 2.04Å; C163-C166 PolarHBondContact SG-SG 3.42Å
164W52.4Low49.3Very low270 Ų270151.2 Ų151.2100%1.02382%0.824SS**THydrogen-bonded Turntrans-6612.6170.8-82.19.6000114.7
165R53.1Low49.4Very low232 Ų232146.5 Ų146.588%0.87582%0.82SS**THydrogen-bonded Turntrans-129.811.6175.4-92.8151.365.4-174.61.6114.5C163C163-R165 PolarHBondContact O-N 3.23Å
166C56.3Low50.1Low76 Ų76152.8 Ų152.851%0.51484%0.839SS.*SBendtrans-96.1-4-174.9-45.50000114C163C163-C166 WeakPolarHBondContact CA-SG 3.02Å; C163-C166 HydrophobicContact CB-CB 4.32Å; C163-C166 WeakPolarHBondContact CB-SG 3.24Å; C163-C166 PolarHBondContact O-N 3.27Å; C163-C166 PolarHBondContact O-SG 2.9Å; C163-C166 VanDerWaalsContact O-SG 3.42Å; C163-C166 WeakPolarHBondContact SG-CB 3.47Å; C163-C166 CovalentContact SG-SG 2.04Å; C163-C166 PolarHBondContact SG-SG 3.42Å
167C57.6Low50.5Low121 Ų121153.1 Ų153.182%0.81884%0.842SS**SBendtrans-101.717.3-176.8-63.60000114.5
168W47.7Very low50.8Low233 Ų233155.5 Ų155.588%0.88384%0.843SS**SBendtrans-100.3-2.9-179.2-9050.2000115.2
169F43.1Very low50.6Low200 Ų200158.5 Ų158.588%0.87785%0.846SS**  trans-150.485.9174.3-105.9-88.5000110.9
170C40Very low50.8Low201 Ų201160.9 Ų160.9100%1.35885%0.845SS**  trans-156.50155-93.50000108.9

Retrieved 170 of 170 residues in 1039.8 ms (Link to these results)