C1M124_SCHMA Loading...

Ovule protein

AlphaFold DB , UniProt , Accession C1M124, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 167 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
1M63.5Low73.6Confident238 Ų238164.5 Ų164.5100%1.17285%0.854SS**  087.10-73.7-68.8168.500105.5S3M1-S3 PolarHBondContact O-N 3.22Å
2D58.6Low74.8Confident159 Ų159166.3 Ų166.385%0.8585%0.85SS**  trans-80.4112.6-179.1-70.6-31.1000108.6T4D2-T4 PolarHBondContact O-N 3.31Å
3S63.1Low75.6Confident107 Ų107161.1 Ų161.175%0.74883%0.83SS**  trans-79.5107.9176.2-168.40000109.1M1 E5M1-S3 PolarHBondContact O-N 3.22Å; S3-E5 PolarHBondContact O-N 3.37Å
4T69.2Low76.4Confident135 Ų135156.1 Ų156.183%0.82881%0.811SS**  trans-87.744.1178.447.50000112.1D2 S6D2-T4 PolarHBondContact O-N 3.31Å; T4-S6 PolarHBondContact O-N 2.97Å
5E71.3Confident76.9Confident179 Ų179157.5 Ų157.584%0.83681%0.808SS**  trans-7989.4179.5-148.5173.1-161.100110.2S3 K7S3-E5 PolarHBondContact O-N 3.37Å; E5-K7 PolarHBondContact O-N 3.05Å
6S73Confident77.2Confident108 Ų108157.6 Ų157.676%0.75580%0.804SS**  trans-70.7112.9174.7174.70000110.3T4 L8T4-S6 PolarHBondContact O-N 2.97Å; S6-L8 PolarHBondContact O-N 3.42Å
7K80.4Confident77.3Confident198 Ų198156.9 Ų156.986%0.86180%0.803SS**  trans-68.9115.8174.9-174.4175.4-177.6177.20110.1E5 M9E5-K7 PolarHBondContact O-N 3.05Å; K7-M9 PolarHBondContact O-N 3.06Å
8L79.5Confident76.8Confident158 Ų158157.3 Ų157.383%0.82781%0.806SS**PPolyproline II helixtrans-63.2123.4175.5-68.3168.1000111.2S6S6-L8 PolarHBondContact O-N 3.42Å
9M83Confident76.1Confident179 Ų179158.4 Ų158.488%0.88281%0.807SS**PPolyproline II helixtrans-83.8129.6174.3-162174.8-150.500110K7K7-M9 PolarHBondContact O-N 3.06Å
10K85.3Confident75.2Confident201 Ų201159.7 Ų159.787%0.87481%0.81SS**PPolyproline II helixtrans-102.3120.7174.4-65.4-176.4-179.2-1790109.2
11I82.7Confident74.3Confident148 Ų148160.3 Ų160.376%0.75981%0.81SS**PPolyproline II helixtrans-96.5131.4174.8-59.2172.7000108.2V13I11-V13 HydrophobicContact CG2-CG2 4.42Å
12K88.2Confident73.9Confident186 Ų186160.2 Ų160.281%0.80980%0.796SS**PPolyproline II helixtrans-97.9118.9173.3-173.2-179.9180-1760108.5V14K12-V14 HydrophobicContact CG-CG2 4.37Å
13V85.6Confident73.9Confident98 Ų98161 Ų16159%0.59480%0.795SS**PPolyproline II helixtrans-100.9129172-177.80000107.8I11 F15I11-V13 HydrophobicContact CG2-CG2 4.42Å; V13-F15 HydrophobicContact CG1-CD2 4.3Å; V13-F15 HydrophobicContact CG1-CE1 4.3Å; V13-F15 HydrophobicContact CG1-CE2 3.79Å; V13-F15 HydrophobicContact CG1-CZ 3.79Å
14V86.6Confident73.4Confident92 Ų92164.4 Ų164.456%0.55880%0.799SS**  trans-116.4122.6172.9-1780000106.5K12K12-V14 HydrophobicContact CG-CG2 4.37Å
15F83.1Confident72.5Confident176 Ų176166.2 Ų166.277%0.77280%0.798SS**  trans-88.4140.2172.6-63.9-85.5000108.8V13V13-F15 HydrophobicContact CG1-CD2 4.3Å; V13-F15 HydrophobicContact CG1-CE1 4.3Å; V13-F15 HydrophobicContact CG1-CE2 3.79Å; V13-F15 HydrophobicContact CG1-CZ 3.79Å
16H81.7Confident71.8Confident159 Ų159163.5 Ų163.574%0.73680%0.799SS**  trans-113128.2169.1-66.3-13.1000107L18H16-L18 PolarHBondContact O-N 3.27Å
17D79Confident71Confident146 Ų146163.3 Ų163.378%0.78179%0.793SS**  trans-69125.9176.8-66.7-32.3000108.5E19D17-E19 PolarHBondContact O-N 3.28Å
18L68Low69.7Low164 Ų164161.3 Ų161.386%0.85979%0.791SS**G310 helixtrans-71.96.4-175.9-73.7167000113.8H16 Q20H16-L18 PolarHBondContact O-N 3.27Å; L18-Q20 VanDerWaalsContact C-N 3.27Å; L18-Q20 PolarHBondContact O-N 3.23Å
19E64.8Low68.4Low178 Ų178161.6 Ų161.683%0.83279%0.794SS**G310 helixtrans-82.2-1.5-173.5-60.9-165.2165.200113.8D17D17-E19 PolarHBondContact O-N 3.28Å
20Q56.7Low67.2Low185 Ų185156.3 Ų156.386%0.86479%0.785SS**G310 helixtrans-89.3-5.4-178-107.2-179.82.200116.4L18L18-Q20 VanDerWaalsContact C-N 3.27Å; L18-Q20 PolarHBondContact O-N 3.23Å
21E57Low66Low173 Ų173153.8 Ų153.881%0.80878%0.776SS**G310 helixtrans-96.88.7179.8-81.2-172.8164.400114.8
22R55.9Low64.8Low236 Ų236153.5 Ų153.589%0.89177%0.772SS**SBendtrans-92.51.7179.6-75.4-167.7172.1-165.3-1.8115.8
23E56.9Low63.4Low174 Ų174151.2 Ų151.281%0.81377%0.768SS**SBendtrans-117.982.2176-76.6178.216400110.2
24Q52.8Low62.1Low180 Ų180153.9 Ų153.984%0.84177%0.774SS**  trans155.658.8153.6-84.3163.135.600112
25H51.3Low60.9Low172 Ų172157.6 Ų157.680%0.79678%0.78SS**  trans-127.282.8149.5-70.9-55.5000107V27H25-V27 PolarHBondContact O-N 3.45Å
26S55.6Low59.9Low123 Ų123154.3 Ų154.386%0.8677%0.768SS**  trans-64.493.5155.351.50000105.7D28S26-D28 PolarHBondContact O-N 3.49Å
27V56.1Low59.1Low104 Ų104152.9 Ų152.963%0.6377%0.766SS**PPolyproline II helixtrans-65.4121.5169.1-170.10000105.3H25 D29H25-V27 PolarHBondContact O-N 3.45Å; V27-D29 PolarHBondContact O-N 3.25Å
28D53.4Low58.6Low156 Ų156151.1 Ų151.183%0.83476%0.756SS**PPolyproline II helixtrans-51.9118.6174-162.213.3000108.7S26S26-D28 PolarHBondContact O-N 3.49Å
29D52.7Low58.9Low163 Ų163146.4 Ų146.487%0.87273%0.731SS**SBendtrans-57.8132.8-177.7-83.9-44.8000111.2V27V27-D29 PolarHBondContact O-N 3.25Å
30G57.7Low59.4Low68 Ų68143.1 Ų143.170%0.70172%0.716SS**SBendtrans172.6-29.1161.400000116.9
31E59.8Low60.3Low149 Ų149137.7 Ų137.770%0.69670%0.697SS**SBendtrans-125.10.7-165.6-52-75.1164.100114Y35E31-Y35 WeakPolarHBondContact O-CD2 3.38Å
32E58.3Low61.1Low141 Ų141134.6 Ų134.666%0.65969%0.685SS**SBendtrans-77.9-25.7-175.3-76.2-165.8159.800114.2E34 Y35 M36E32-E34 PolarHBondContact O-N 3.23Å; E32-Y35 PolarHBondContact O-N 3.35Å; E32-M36 WeakPolarHBondContact O-CG 3.43Å
33D58.1Low61.9Low138 Ų138130.7 Ų130.774%0.73867%0.67SS**Hα-helixtrans-72.2-33-173.9-78.6-20.5000113.5Y35 M36D33-Y35 VanDerWaalsContact C-N 3.25Å; D33-Y35 PolarHBondContact O-N 2.86Å; D33-M36 PolarHBondContact O-N 3.12Å
34E58.6Low62.7Low154 Ų154126.8 Ų126.872%0.7265%0.652SS**Hα-helixtrans-69.8-21.4-179.8-74.8-166.4168.100113.5E32 N38E32-E34 PolarHBondContact O-N 3.23Å; E34-N38 PolarHBondContact O-ND2 3.49Å
35Y61Low63.6Low170 Ų170120.9 Ų120.967%0.66763%0.629SS**Hα-helixtrans-86.8-23.2175.8-68.9-77.8000112.9E31 E32 D33 N38 I39E31-Y35 WeakPolarHBondContact O-CD2 3.38Å; E32-Y35 PolarHBondContact O-N 3.35Å; D33-Y35 VanDerWaalsContact C-N 3.25Å; D33-Y35 PolarHBondContact O-N 2.86Å; Y35-N38 PolarHBondContact O-N 3.47Å; Y35-I39 WeakPolarHBondContact O-CG1 3.5Å
36M63.6Low64.5Low108 Ų108118.1 Ų118.153%0.53262%0.619SS.*Hα-helixtrans-74.7-34-177.5-68-63.7-78.800112.6E32 D33 N38 I39E32-M36 WeakPolarHBondContact O-CG 3.43Å; D33-M36 PolarHBondContact O-N 3.12Å; M36-N38 PolarHBondContact O-N 3.45Å; M36-I39 PolarHBondContact O-N 3.09Å; M36-I39 HydrophobicContact SD-CD1 3.74Å
37D64.8Low65Low128 Ų128118.7 Ų118.768%0.68461%0.608SS**THydrogen-bonded Turntrans-64.4-26.6175.7-81.6-11.2000112.9I39 P41D37-I39 VanDerWaalsContact C-N 3.31Å; D37-I39 PolarHBondContact O-N 3.43Å; D37-P41 WeakPolarHBondContact O-CD 3.27Å
38N68.1Low65.5Low110 Ų110122.7 Ų122.759%0.58861%0.611SS**THydrogen-bonded Turntrans-79.1-12.8176.4-72.2-49000113.5E34 Y35 M36E34-N38 PolarHBondContact O-ND2 3.49Å; Y35-N38 PolarHBondContact O-N 3.47Å; M36-N38 PolarHBondContact O-N 3.45Å
39I74Confident66Low65 Ų65122 Ų12233%0.33360%0.601SS.*Hα-helixtrans-87.9-31.2-177.5-63.1170000111.7Y35 M36 D37 L42 R43Y35-I39 WeakPolarHBondContact O-CG1 3.5Å; M36-I39 PolarHBondContact O-N 3.09Å; M36-I39 HydrophobicContact SD-CD1 3.74Å; D37-I39 VanDerWaalsContact C-N 3.31Å; D37-I39 PolarHBondContact O-N 3.43Å; I39-L42 WeakPolarHBondContact O-CB 3.33Å; I39-L42 PolarHBondContact O-N 3.18Å; I39-L42 VanDerWaalsContact O-N 3.12Å; I39-R43 HydrophobicContact CG2-CG 3.98Å; I39-R43 WeakPolarHBondContact O-CG 3.42Å; I39-R43 PolarHBondContact O-N 3.01Å
40E75.2Confident66.7Low108 Ų108118.1 Ų118.151%0.50559%0.587SS.*Hα-helixtrans-53.4-50.1177.8-88.5-85.7147.200112.8L42 R43 Q44E40-L42 VanDerWaalsContact C-N 3.31Å; E40-L42 PolarHBondContact O-N 3.5Å; E40-R43 PolarHBondContact O-N 3.01Å; E40-Q44 WeakPolarHBondContact O-CG 3.28Å; E40-Q44 PolarHBondContact O-N 3.35Å
41P75.7Confident67.3Low72 Ų72121.4 Ų121.447%0.46859%0.588SS.*Hα-helixtrans-62.1-35.7175.8-23.533.9000113.7D37 T45D37-P41 WeakPolarHBondContact O-CD 3.27Å; P41-T45 WeakPolarHBondContact O-CB 3.45Å; P41-T45 PolarHBondContact O-N 3.11Å; P41-T45 PolarHBondContact O-OG1 3.11Å
42L74Confident68.1Low108 Ų108116 Ų11657%0.56556%0.563SS**Hα-helixtrans-66.8-43.7176.4-76.4162.7000110.8I39 E40 Q44 T45 I46I39-L42 WeakPolarHBondContact O-CB 3.33Å; I39-L42 PolarHBondContact O-N 3.18Å; I39-L42 VanDerWaalsContact O-N 3.12Å; E40-L42 VanDerWaalsContact C-N 3.31Å; E40-L42 PolarHBondContact O-N 3.5Å; L42-Q44 PolarHBondContact O-N 3.33Å; L42-T45 PolarHBondContact O-N 3.21Å; L42-I46 VanDerWaalsContact O-CG1 3.28Å; L42-I46 WeakPolarHBondContact O-CG1 3.5Å; L42-I46 PolarHBondContact O-N 3.35Å
43R73Confident69.2Low153 Ų153111.9 Ų111.958%0.57755%0.55SS**Hα-helixtrans-60.3-44.9175.4-76.8179.9160.9-174.2-3.2112I39 E40 T45 I46 Q47I39-R43 HydrophobicContact CG2-CG 3.98Å; I39-R43 WeakPolarHBondContact O-CG 3.42Å; I39-R43 PolarHBondContact O-N 3.01Å; E40-R43 PolarHBondContact O-N 3.01Å; R43-T45 VanDerWaalsContact C-N 3.31Å; R43-T45 PolarHBondContact O-N 3.45Å; R43-I46 PolarHBondContact O-N 3.35Å; R43-Q47 PolarHBondContact O-N 2.8Å; R43-Q47 VanDerWaalsContact O-N 3.11Å
44Q72.4Confident70.4Confident92 Ų92111.7 Ų111.743%0.4355%0.548SS..Hα-helixtrans-62.3-38.9175.1-69.5-176.418.200112.1E40 L42 Q47 R48E40-Q44 WeakPolarHBondContact O-CG 3.28Å; E40-Q44 PolarHBondContact O-N 3.35Å; L42-Q44 PolarHBondContact O-N 3.33Å; Q44-Q47 PolarHBondContact O-N 3.42Å; Q44-R48 WeakPolarHBondContact O-CG 3.23Å; Q44-R48 PolarHBondContact O-N 3.33Å; Q44-R48 VanDerWaalsContact O-N 3.1Å
45T72.1Confident71.7Confident57 Ų57108.6 Ų108.635%0.3554%0.541SS..Hα-helixtrans-67.4-40.6178.2-58.60000111.9P41 L42 R43 R48 K49P41-T45 WeakPolarHBondContact O-CB 3.45Å; P41-T45 PolarHBondContact O-N 3.11Å; P41-T45 PolarHBondContact O-OG1 3.11Å; L42-T45 PolarHBondContact O-N 3.21Å; R43-T45 VanDerWaalsContact C-N 3.31Å; R43-T45 PolarHBondContact O-N 3.45Å; T45-R48 PolarHBondContact O-N 3.39Å; T45-K49 HydrophobicContact CG2-CD 3.94Å; T45-K49 HydrophobicContact CG2-CG 4.4Å; T45-K49 WeakPolarHBondContact O-CB 3.43Å; T45-K49 WeakPolarHBondContact O-CG 3.46Å; T45-K49 PolarHBondContact O-N 3.46Å
46I71.2Confident72.8Confident113 Ų113103.2 Ų103.258%0.57953%0.526SS*.Hα-helixtrans-62.4-45.9177.1-69.4163.6000110.1L42 R43 R48 K49 S50L42-I46 VanDerWaalsContact O-CG1 3.28Å; L42-I46 WeakPolarHBondContact O-CG1 3.5Å; L42-I46 PolarHBondContact O-N 3.35Å; R43-I46 PolarHBondContact O-N 3.35Å; I46-R48 PolarHBondContact O-N 3.1Å; I46-K49 PolarHBondContact O-N 3.5Å; I46-S50 VanDerWaalsContact O-CB 3.23Å; I46-S50 WeakPolarHBondContact O-CB 3.41Å; I46-S50 PolarHBondContact O-N 3.44Å; I46-S50 PolarHBondContact O-OG 2.9Å
47Q66.2Low73.6Confident136 Ų136101.7 Ų101.764%0.63652%0.52SS*.Hα-helixtrans-61.5-44.8177.5-71.4-1773.900112R43 Q44 K49 S50 N51R43-Q47 PolarHBondContact O-N 2.8Å; R43-Q47 VanDerWaalsContact O-N 3.11Å; Q44-Q47 PolarHBondContact O-N 3.42Å; Q47-K49 PolarHBondContact O-N 2.82Å; Q47-S50 PolarHBondContact O-N 3.27Å; Q47-S50 PolarHBondContact O-OG 2.97Å; Q47-N51 PolarHBondContact O-ND2 3.32Å
48R64.7Low74.5Confident187 Ų187100.8 Ų100.871%0.70652%0.515SS*.Hα-helixtrans-63-39.6177.7-72.8-178.9-175.4150.95.5113Q44 T45 I46Q44-R48 WeakPolarHBondContact O-CG 3.23Å; Q44-R48 PolarHBondContact O-N 3.33Å; Q44-R48 VanDerWaalsContact O-N 3.1Å; T45-R48 PolarHBondContact O-N 3.39Å; I46-R48 PolarHBondContact O-N 3.1Å
49K65.5Low75.2Confident142 Ų142102 Ų10262%0.61752%0.517SS*.Hα-helixtrans-80.2-26.1-179.9-69.1-178.7-179.5177.90113.3T45 I46 Q47 N51 E52T45-K49 HydrophobicContact CG2-CD 3.94Å; T45-K49 HydrophobicContact CG2-CG 4.4Å; T45-K49 WeakPolarHBondContact O-CB 3.43Å; T45-K49 WeakPolarHBondContact O-CG 3.46Å; T45-K49 PolarHBondContact O-N 3.46Å; I46-K49 PolarHBondContact O-N 3.5Å; Q47-K49 PolarHBondContact O-N 2.82Å; K49-N51 PolarHBondContact O-N 2.83Å; K49-E52 VanDerWaalsContact O-CB 3.29Å; K49-E52 WeakPolarHBondContact O-CB 3.43Å; K49-E52 PolarHBondContact O-N 2.96Å; K49-E52 VanDerWaalsContact O-N 3.09Å
50S66.4Low75.5Confident82 Ų82105.8 Ų105.857%0.57353%0.527SS*.Hα-helixtrans-67.4-21.3178.767.50000113.8I46 Q47 E52I46-S50 VanDerWaalsContact O-CB 3.23Å; I46-S50 WeakPolarHBondContact O-CB 3.41Å; I46-S50 PolarHBondContact O-N 3.44Å; I46-S50 PolarHBondContact O-OG 2.9Å; Q47-S50 PolarHBondContact O-N 3.27Å; Q47-S50 PolarHBondContact O-OG 2.97Å; S50-E52 VanDerWaalsContact C-N 3.25Å; S50-E52 PolarHBondContact O-N 3.24Å
51N71.1Confident75.6Confident137 Ų137102.1 Ų102.173%0.73352%0.515SS*.THydrogen-bonded Turntrans-82.9-2.6175-65.6-35.3000113Q47 K49 S53Q47-N51 PolarHBondContact O-ND2 3.32Å; K49-N51 PolarHBondContact O-N 2.83Å; N51-S53 PolarHBondContact O-N 3.33Å
52E75.6Confident75.7Confident34 Ų34106.1 Ų106.116%0.15953%0.527CS..SBendtrans-72.1116.9174.2-169.3176.2-174.900110K49 S50 T56 L57 R60K49-E52 VanDerWaalsContact O-CB 3.29Å; K49-E52 WeakPolarHBondContact O-CB 3.43Å; K49-E52 PolarHBondContact O-N 2.96Å; K49-E52 VanDerWaalsContact O-N 3.09Å; S50-E52 VanDerWaalsContact C-N 3.25Å; S50-E52 PolarHBondContact O-N 3.24Å; E52-T56 HydrophobicContact CG-CG2 4.05Å; E52-T56 WeakPolarHBondContact OE1-CG2 3.4Å; E52-L57 HydrophobicContact CB-CG 4.45Å; E52-L57 HydrophobicContact CG-CD2 4.16Å; E52-L57 HydrophobicContact CG-CG 3.87Å; E52-L57 PolarHBondContact OE1-N 3.27Å; E52-L57 WeakPolarHBondContact OE2-CD2 3.46Å; E52-R60 VanDerWaalsContact CD-CZ 3.44Å; E52-R60 IonicContact OE1-CZ 2.91Å; E52-R60 IonicContact OE1-NE 2.88Å; E52-R60 PolarHBondContact OE1-NE 3.32Å; E52-R60 IonicContact OE1-NH1 2.92Å; E52-R60 IonicContact OE1-NH2 2.63Å; E52-R60 PolarHBondContact OE1-NH2 3.38Å; E52-R60 IonicContact OE2-CZ 3.22Å; E52-R60 VanDerWaalsContact OE2-CZ 3.22Å; E52-R60 IonicContact OE2-NE 3.97Å; E52-R60 IonicContact OE2-NH1 3.91Å; E52-R60 IonicContact OE2-NH2 2.61Å; E52-R60 PolarHBondContact OE2-NH2 3.41Å
53S82.7Confident75.7Confident56 Ų56103.6 Ų103.639%0.39252%0.519SS..  trans-63.2142.1177.581.40000110.6N51 P55 T56 L57N51-S53 PolarHBondContact O-N 3.33Å; S53-P55 VanDerWaalsContact C-CD 3.4Å; S53-P55 WeakPolarHBondContact OG-CD 3.23Å; S53-T56 WeakPolarHBondContact O-CB 3.23Å; S53-T56 PolarHBondContact O-N 2.93Å; S53-T56 PolarHBondContact OG-N 3.49Å; S53-T56 PolarHBondContact OG-OG1 3.24Å; S53-L57 PolarHBondContact O-N 3.09Å
54L83.3Confident75.4Confident133 Ų133101.4 Ų101.470%0.69653%0.527SS*.Hα-helixtrans-48.3-41.1174-73.1172.1000113.1T56 L57 L58L54-T56 VanDerWaalsContact C-N 3.32Å; L54-T56 PolarHBondContact O-N 2.94Å; L54-L57 HydrophobicContact CD2-CD1 4.31Å; L54-L57 PolarHBondContact O-N 3.3Å; L54-L58 WeakPolarHBondContact O-CG 3.29Å; L54-L58 PolarHBondContact O-N 3.37Å
55P85Confident75.5Confident89 Ų89104.2 Ų104.258%0.57855%0.545SS*.Hα-helixtrans-55.6-40.7172.9-28.635.5000114.5S53 L58 Q59S53-P55 VanDerWaalsContact C-CD 3.4Å; S53-P55 WeakPolarHBondContact OG-CD 3.23Å; P55-L58 PolarHBondContact O-N 3.41Å; P55-Q59 WeakPolarHBondContact O-CB 3.46Å; P55-Q59 PolarHBondContact O-N 3.19Å
56T83.8Confident75.3Confident57 Ų57102.7 Ų102.735%0.3554%0.536SS..Hα-helixtrans-68.3-40179.3-46.40000111.5E52 S53 L54 Q59 R60E52-T56 HydrophobicContact CG-CG2 4.05Å; E52-T56 WeakPolarHBondContact OE1-CG2 3.4Å; S53-T56 WeakPolarHBondContact O-CB 3.23Å; S53-T56 PolarHBondContact O-N 2.93Å; S53-T56 PolarHBondContact OG-N 3.49Å; S53-T56 PolarHBondContact OG-OG1 3.24Å; L54-T56 VanDerWaalsContact C-N 3.32Å; L54-T56 PolarHBondContact O-N 2.94Å; T56-Q59 PolarHBondContact O-N 2.86Å; T56-R60 PolarHBondContact O-N 2.88Å
57L81.7Confident75.2Confident76 Ų76103.1 Ų103.140%0.39855%0.547SS..Hα-helixtrans-61.5-44.4173.9-73168.7000111.4E52 S53 L54 R60 A61E52-L57 HydrophobicContact CB-CG 4.45Å; E52-L57 HydrophobicContact CG-CD2 4.16Å; E52-L57 HydrophobicContact CG-CG 3.87Å; E52-L57 PolarHBondContact OE1-N 3.27Å; E52-L57 WeakPolarHBondContact OE2-CD2 3.46Å; S53-L57 PolarHBondContact O-N 3.09Å; L54-L57 HydrophobicContact CD2-CD1 4.31Å; L54-L57 PolarHBondContact O-N 3.3Å; L57-R60 PolarHBondContact O-N 3.43Å; L57-A61 WeakPolarHBondContact O-CB 3.19Å; L57-A61 PolarHBondContact O-N 3.45Å
58L83.2Confident75.2Confident110 Ų110104.4 Ų104.458%0.57655%0.55SS**Hα-helixtrans-65.8-42.2177.6-69.7173.2000111.9L54 P55 R60 A61 Q62L54-L58 WeakPolarHBondContact O-CG 3.29Å; L54-L58 PolarHBondContact O-N 3.37Å; P55-L58 PolarHBondContact O-N 3.41Å; L58-R60 VanDerWaalsContact C-N 3.34Å; L58-R60 PolarHBondContact O-N 3.06Å; L58-A61 CarbonylContact O-C 3.53Å; L58-A61 PolarHBondContact O-N 3.19Å; L58-Q62 WeakPolarHBondContact O-CG 3.37Å; L58-Q62 PolarHBondContact O-N 2.9Å
59Q83.2Confident75.2Confident135 Ų13597 Ų9763%0.63153%0.529SS*.Hα-helixtrans-61.8-42176.3-174.2176.911.100111.6P55 T56 Q62 S63P55-Q59 WeakPolarHBondContact O-CB 3.46Å; P55-Q59 PolarHBondContact O-N 3.19Å; T56-Q59 PolarHBondContact O-N 2.86Å; Q59-Q62 PolarHBondContact O-N 2.61Å; Q59-S63 PolarHBondContact O-N 2.63Å; Q59-S63 VanDerWaalsContact O-N 3.12Å; Q59-S63 PolarHBondContact O-OG 3.38Å
60R80.1Confident74.9Confident145 Ų14597.6 Ų97.655%0.54754%0.537SS..Hα-helixtrans-63.6-42.7172.4-86.1-163.4-86.5171.9-37.1112.1E52 T56 L57 L58 Q62 S63 S66E52-R60 VanDerWaalsContact CD-CZ 3.44Å; E52-R60 IonicContact OE1-CZ 2.91Å; E52-R60 IonicContact OE1-NE 2.88Å; E52-R60 PolarHBondContact OE1-NE 3.32Å; E52-R60 IonicContact OE1-NH1 2.92Å; E52-R60 IonicContact OE1-NH2 2.63Å; E52-R60 PolarHBondContact OE1-NH2 3.38Å; E52-R60 IonicContact OE2-CZ 3.22Å; E52-R60 VanDerWaalsContact OE2-CZ 3.22Å; E52-R60 IonicContact OE2-NE 3.97Å; E52-R60 IonicContact OE2-NH1 3.91Å; E52-R60 IonicContact OE2-NH2 2.61Å; E52-R60 PolarHBondContact OE2-NH2 3.41Å; T56-R60 PolarHBondContact O-N 2.88Å; L57-R60 PolarHBondContact O-N 3.43Å; L58-R60 VanDerWaalsContact C-N 3.34Å; L58-R60 PolarHBondContact O-N 3.06Å; R60-Q62 PolarHBondContact O-N 3.15Å; R60-S63 WeakPolarHBondContact O-CB 3.33Å; R60-S63 PolarHBondContact O-N 3.14Å; R60-S63 VanDerWaalsContact O-N 3.08Å; R60-S66 WeakPolarHBondContact O-CB 3.34Å
61A76.9Confident74.5Confident31 Ų3195.5 Ų95.526%0.25653%0.529SS..Hα-helixtrans-65.4-14.3175.400000113.7L57 L58 A69L57-A61 WeakPolarHBondContact O-CB 3.19Å; L57-A61 PolarHBondContact O-N 3.45Å; L58-A61 CarbonylContact O-C 3.53Å; L58-A61 PolarHBondContact O-N 3.19Å; A61-A69 WeakPolarHBondContact O-CA 3.49Å
62Q77.1Confident74Confident155 Ų15597.3 Ų97.372%0.72454%0.539SS*.Hα-helixtrans-98.6-11.6173.1-70.4177.9-11.300113.3L58 Q59 R60L58-Q62 WeakPolarHBondContact O-CG 3.37Å; L58-Q62 PolarHBondContact O-N 2.9Å; Q59-Q62 PolarHBondContact O-N 2.61Å; R60-Q62 PolarHBondContact O-N 3.15Å
63S74.7Confident73.3Confident55 Ų55104.5 Ų104.539%0.38557%0.569SS.*SBendtrans-69.3136.6176.8-56.40000109.3Q59 R60 D65 S66 A69Q59-S63 PolarHBondContact O-N 2.63Å; Q59-S63 VanDerWaalsContact O-N 3.12Å; Q59-S63 PolarHBondContact O-OG 3.38Å; R60-S63 WeakPolarHBondContact O-CB 3.33Å; R60-S63 PolarHBondContact O-N 3.14Å; R60-S63 VanDerWaalsContact O-N 3.08Å; S63-D65 PolarHBondContact O-N 3.38Å; S63-S66 WeakPolarHBondContact O-CB 3.41Å; S63-S66 PolarHBondContact O-N 3.36Å; S63-A69 VanDerWaalsContact O-CB 3.28Å; S63-A69 WeakPolarHBondContact O-CB 3.39Å
64S67.7Low72.3Confident107 Ų107110.4 Ų110.475%0.74859%0.591SS**THydrogen-bonded Turntrans-56.1-20.8-175.251.60000114.8
65D72.9Confident71.1Confident151 Ų151113.9 Ų113.981%0.80760%0.601SS**THydrogen-bonded Turntrans-93-2.5-175.2-56-15.3000112.5S63S63-D65 PolarHBondContact O-N 3.38Å
66S67.8Low69.7Low25 Ų25115.8 Ų115.818%0.17561%0.611CS.*  trans-79.7135.1175.91780000111R60 S63 F68 A69R60-S66 WeakPolarHBondContact O-CB 3.34Å; S63-S66 WeakPolarHBondContact O-CB 3.41Å; S63-S66 PolarHBondContact O-N 3.36Å; S66-F68 PolarHBondContact O-N 3.27Å; S66-F68 VanDerWaalsContact O-N 3.14Å; S66-F68 PolarHBondContact OG-N 2.97Å; S66-F68 VanDerWaalsContact OG-N 3.11Å; S66-A69 WeakPolarHBondContact O-CB 3.45Å; S66-A69 PolarHBondContact O-N 2.89Å
67P69.3Low68.4Low122 Ų122116.3 Ų116.379%0.79262%0.617SS**THydrogen-bonded Turntrans-64.4-15.617028.4-34.3000112.3
68F67Low67.3Low163 Ų163118.8 Ų118.872%0.71563%0.629SS**THydrogen-bonded Turntrans-98.85.7173.7-51.6-74000112.8S66 I70S66-F68 PolarHBondContact O-N 3.27Å; S66-F68 VanDerWaalsContact O-N 3.14Å; S66-F68 PolarHBondContact OG-N 2.97Å; S66-F68 VanDerWaalsContact OG-N 3.11Å; F68-I70 PolarHBondContact O-N 3.47Å
69A65.1Low66.1Low31 Ų31119.5 Ų119.526%0.25663%0.634SS.*  trans-53.5105.8173.200000109.5A61 S63 S66 G71A61-A69 WeakPolarHBondContact O-CA 3.49Å; S63-A69 VanDerWaalsContact O-CB 3.28Å; S63-A69 WeakPolarHBondContact O-CB 3.39Å; S66-A69 WeakPolarHBondContact O-CB 3.45Å; S66-A69 PolarHBondContact O-N 2.89Å; A69-G71 PolarHBondContact O-N 2.98Å
70I59.4Low64.9Low155 Ų155122.1 Ų122.180%0.79564%0.643SS**  trans-7270.8158.8-52.7174.2000104.7F68 N72F68-I70 PolarHBondContact O-N 3.47Å; I70-N72 PolarHBondContact O-N 3.41Å
71G56.2Low63.9Low39 Ų39121.8 Ų121.840%0.40265%0.652SS.*  trans-57.3135.5179.300000107.6A69 K73A69-G71 PolarHBondContact O-N 2.98Å; G71-K73 PolarHBondContact O-N 3.39Å
72N60.8Low62.7Low174 Ų174125.5 Ų125.593%0.9367%0.671SS**  trans-65.245.1165.1-70.9-27.6000110.6I70 E74I70-N72 PolarHBondContact O-N 3.41Å; N72-E74 PolarHBondContact O-N 2.91Å
73K61.5Low61.3Low185 Ų185122.9 Ų122.980%0.80467%0.67SS**  trans-68.1116.7168.7-63.4-163.5179.1-175.70104.9G71G71-K73 PolarHBondContact O-N 3.39Å
74E61.6Low60.2Low180 Ų180125.5 Ų125.584%0.84169%0.688SS**  trans-8.4126.1172.3-68.8172.513000113.6N72 T76N72-E74 PolarHBondContact O-N 2.91Å; E74-T76 VanDerWaalsContact C-N 3.33Å; E74-T76 PolarHBondContact O-N 3.11Å
75K57.8Low59.6Low207 Ų207131 Ų13190%0.969%0.693SS**  trans-31.898172.6-66.1179.7-179.21780109.1S77K75-S77 VanDerWaalsContact C-N 3.26Å; K75-S77 PolarHBondContact O-N 3.14Å
76T55.6Low58.9Low129 Ų129129.3 Ų129.379%0.79169%0.693SS**  trans-64.2103.9172.3-23.10000102.2E74 L78E74-T76 VanDerWaalsContact C-N 3.33Å; E74-T76 PolarHBondContact O-N 3.11Å; T76-L78 PolarHBondContact O-N 3.39Å
77S57.8Low58.3Low68 Ų68134.6 Ų134.648%0.47672%0.718SS.*  trans-53.3119-169.463.70000107.5K75 N79 K80K75-S77 VanDerWaalsContact C-N 3.26Å; K75-S77 PolarHBondContact O-N 3.14Å; S77-N79 PolarHBondContact O-N 3.25Å; S77-K80 PolarHBondContact O-N 3.25Å
78L58.2Low57.5Low127 Ų127133.8 Ų133.867%0.66572%0.716SS**G310 helixtrans-61.50.6177.7-68.3167.6000111.6T76 K80 L81T76-L78 PolarHBondContact O-N 3.39Å; L78-K80 PolarHBondContact O-N 2.86Å; L78-K80 VanDerWaalsContact O-N 3.15Å; L78-L81 HydrophobicContact CD2-CD1 3.57Å; L78-L81 WeakPolarHBondContact O-CB 3.14Å; L78-L81 PolarHBondContact O-N 3.14Å
79N57.7Low57Low125 Ų125138.1 Ų138.167%0.66873%0.727SS**G310 helixtrans-62.5-12.2174.9-58.4-6.7000113.4S77 T82S77-N79 PolarHBondContact O-N 3.25Å; N79-T82 PolarHBondContact O-OG1 3.49Å
80K58.6Low56.5Low191 Ų191139.2 Ų139.283%0.8374%0.741SS**G310 helixtrans-90.6-6.6168.9-63.8-150.7-179-1690114.4S77 L78S77-K80 PolarHBondContact O-N 3.25Å; L78-K80 PolarHBondContact O-N 2.86Å; L78-K80 VanDerWaalsContact O-N 3.15Å
81L57.9Low56.5Low138 Ų138139.8 Ų139.872%0.72375%0.746SS**SBendtrans-92.2-6.8176.1-61.5-178.8000113.3L78 S83L78-L81 HydrophobicContact CD2-CD1 3.57Å; L78-L81 WeakPolarHBondContact O-CB 3.14Å; L78-L81 PolarHBondContact O-N 3.14Å; L81-S83 PolarHBondContact O-N 3.19Å
82T51.6Low56.6Low108 Ų108142.8 Ų142.866%0.66376%0.756SS**  trans-81.953.8169.862.30000110.2N79 S84N79-T82 PolarHBondContact O-OG1 3.49Å; T82-S84 VanDerWaalsContact C-N 3.31Å; T82-S84 PolarHBondContact O-N 3.22Å; T82-S84 VanDerWaalsContact O-N 3.08Å
83S48Very low56.7Low101 Ų101141.5 Ų141.571%0.70674%0.738SS**  trans-73.397.9160-175.30000106.1L81 R85L81-S83 PolarHBondContact O-N 3.19Å; S83-R85 PolarHBondContact O-N 2.69Å
84S51.9Low57.1Low109 Ų109140.5 Ų140.576%0.76273%0.73SS**  trans-63.282174.145.10000109.5T82 S86T82-S84 VanDerWaalsContact C-N 3.31Å; T82-S84 PolarHBondContact O-N 3.22Å; T82-S84 VanDerWaalsContact O-N 3.08Å; S84-S86 VanDerWaalsContact C-N 3.26Å; S84-S86 PolarHBondContact O-N 2.9Å
85R55.4Low57.4Low224 Ų224138.9 Ų138.985%0.84573%0.734SS**  trans-64.799.5151.5-85.4-172.9174.2-154.1-1.2105.5S83 L87S83-R85 PolarHBondContact O-N 2.69Å; R85-L87 VanDerWaalsContact C-N 3.33Å; R85-L87 PolarHBondContact O-N 3.18Å
86S57.5Low57.9Low115 Ų115133.7 Ų133.780%0.80473%0.725SS**  trans-48.5101.7163.8280000107.9S84 S88S84-S86 VanDerWaalsContact C-N 3.26Å; S84-S86 PolarHBondContact O-N 2.9Å; S86-S88 PolarHBondContact O-N 3.12Å
87L54.8Low58.6Low135 Ų135131.5 Ų131.571%0.70771%0.705SS**  trans-6590.4170.9-70.4165000106.5R85 R89 V92R85-L87 VanDerWaalsContact C-N 3.33Å; R85-L87 PolarHBondContact O-N 3.18Å; L87-R89 PolarHBondContact O-N 3Å; L87-V92 HydrophobicContact CD2-CB 4.04Å; L87-V92 HydrophobicContact CD2-CG1 4.02Å; L87-V92 HydrophobicContact CD2-CG2 3.66Å
88S53.5Low59.1Low106 Ų106132.7 Ų132.774%0.74171%0.705SS**  trans-51.6126.5160.6-179.40000106.9S86 G90S86-S88 PolarHBondContact O-N 3.12Å; S88-G90 VanDerWaalsContact C-N 3.31Å; S88-G90 PolarHBondContact O-N 3.18Å
89R56.1Low60Low254 Ų254127.4 Ų127.496%0.95868%0.679SS**SBendtrans-59.388.4-177-72.7174.5166.8173.4-4.9110L87L87-R89 PolarHBondContact O-N 3Å
90G54.7Low60.9Low54 Ų54127.6 Ų127.656%0.55768%0.679SS**SBendtrans-170.4104.2174.300000109.7S88 V92S88-G90 VanDerWaalsContact C-N 3.31Å; S88-G90 PolarHBondContact O-N 3.18Å; G90-V92 WeakPolarHBondContact O-CG2 3.46Å; G90-V92 PolarHBondContact O-N 3.01Å
91N58.8Low62Low167 Ų167123.8 Ų123.889%0.89367%0.668SS**  trans16.372.2168.9-81.913.2000116R93N91-R93 PolarHBondContact O-N 2.96Å
92V58.5Low63Low102 Ų102121 Ų12162%0.61865%0.653SS**  trans-80.591.5172.3-177.20000107.6L87 G90L87-V92 HydrophobicContact CD2-CB 4.04Å; L87-V92 HydrophobicContact CD2-CG1 4.02Å; L87-V92 HydrophobicContact CD2-CG2 3.66Å; G90-V92 WeakPolarHBondContact O-CG2 3.46Å; G90-V92 PolarHBondContact O-N 3.01Å
93R63.4Low64Low146 Ų146121.3 Ų121.355%0.55165%0.645SS**  trans-55.4143.5165.3-90.4-176.9162.7117.3-2.5109.2N91 E97N91-R93 PolarHBondContact O-N 2.96Å; R93-E97 HydrophobicContact CB-CB 4.45Å
94R70.7Confident65.4Low165 Ų165123 Ų12362%0.62365%0.646SS**  trans-59.3146.6173.6-67-170.7172.590.5-1109.1S96 E97R94-S96 PolarHBondContact O-N 3.19Å; R94-E97 HydrophobicContact CB-CB 4.27Å; R94-E97 HydrophobicContact CB-CG 4Å; R94-E97 WeakPolarHBondContact CD-OE1 3.31Å; R94-E97 IonicContact CZ-OE1 3.69Å; R94-E97 IonicContact NH1-OE1 3.94Å; R94-E97 PolarHBondContact NH1-OE1 3.08Å; R94-E97 PolarHBondContact O-N 2.9Å
95P67.1Low66.8Low145 Ų145122 Ų12294%0.94264%0.639SS**THydrogen-bonded Turntrans-54.4-21.4174.3-2634000114.2
96S68.3Low67.8Low99 Ų99116.8 Ų116.869%0.69263%0.626SS**THydrogen-bonded Turntrans-91.7-5.3176.659.50000114.7R94R94-S96 PolarHBondContact O-N 3.19Å
97E70.1Confident68.7Low83 Ų83116 Ų11639%0.38862%0.618SS.*  trans-101.688.9-179.6-76.1169.6-15900109.2R93 R94R93-E97 HydrophobicContact CB-CB 4.45Å; R94-E97 HydrophobicContact CB-CB 4.27Å; R94-E97 HydrophobicContact CB-CG 4Å; R94-E97 WeakPolarHBondContact CD-OE1 3.31Å; R94-E97 IonicContact CZ-OE1 3.69Å; R94-E97 IonicContact NH1-OE1 3.94Å; R94-E97 PolarHBondContact NH1-OE1 3.08Å; R94-E97 PolarHBondContact O-N 2.9Å
98I68.8Low69.6Low92 Ų92114.9 Ų114.947%0.47262%0.619SS.*  trans-84.2131.9168.5179.8160.6000109.1D102 F103I98-D102 HydrophobicContact CD1-CB 4.19Å; I98-D102 HydrophobicContact CG1-CB 3.71Å; I98-F103 HydrophobicContact CB-CE2 4.01Å; I98-F103 HydrophobicContact CB-CZ 4.31Å; I98-F103 HydrophobicContact CD1-CD1 4.12Å; I98-F103 HydrophobicContact CD1-CD2 4.17Å; I98-F103 HydrophobicContact CD1-CE1 3.95Å; I98-F103 HydrophobicContact CD1-CE2 4.06Å; I98-F103 HydrophobicContact CD1-CG 4.24Å; I98-F103 HydrophobicContact CD1-CZ 3.94Å; I98-F103 HydrophobicContact CG1-CD2 3.88Å; I98-F103 HydrophobicContact CG1-CE2 3.78Å; I98-F103 HydrophobicContact CG1-CG 4.39Å; I98-F103 HydrophobicContact CG1-CZ 4.14Å; I98-F103 HydrophobicContact CG2-CD2 4.12Å; I98-F103 HydrophobicContact CG2-CE1 4.38Å; I98-F103 HydrophobicContact CG2-CE2 3.16Å; I98-F103 HydrophobicContact CG2-CZ 3.32Å
99S77.1Confident70.2Confident17 Ų17115.5 Ų115.512%0.11962%0.618CS.*  trans-71145.2177.1-1730000109.5N101 D102 F103S99-N101 PolarHBondContact O-N 2.92Å; S99-N101 VanDerWaalsContact O-N 3.14Å; S99-N101 PolarHBondContact OG-N 2.76Å; S99-D102 VanDerWaalsContact CB-CG 3.47Å; S99-D102 WeakPolarHBondContact CB-OD2 3.38Å; S99-D102 PolarHBondContact N-OD2 3.25Å; S99-D102 WeakPolarHBondContact O-CA 3.4Å; S99-D102 VanDerWaalsContact O-CB 3.31Å; S99-D102 WeakPolarHBondContact O-CB 3.39Å; S99-D102 PolarHBondContact O-N 2.85Å; S99-F103 PolarHBondContact O-N 3.36Å
100I76.8Confident70.3Confident128 Ų128110.9 Ų110.966%0.65661%0.611SS**Hα-helixtrans-55.2-34.2171.9-63.9169.6000110.5D102 F103 L104I100-D102 VanDerWaalsContact C-N 3.28Å; I100-D102 PolarHBondContact O-N 2.97Å; I100-F103 WeakPolarHBondContact O-CB 3.35Å; I100-F103 PolarHBondContact O-N 2.7Å; I100-L104 HydrophobicContact CG2-CD1 4.1Å; I100-L104 HydrophobicContact CG2-CG 4.41Å; I100-L104 WeakPolarHBondContact O-CG 3.28Å; I100-L104 PolarHBondContact O-N 2.92Å
101N81.5Confident70.4Confident112 Ų112116.4 Ų116.460%0.59962%0.623SS**Hα-helixtrans-68.1-26.4176.2-62.1-19.8000113.2S99 S105S99-N101 PolarHBondContact O-N 2.92Å; S99-N101 VanDerWaalsContact O-N 3.14Å; S99-N101 PolarHBondContact OG-N 2.76Å; N101-S105 WeakPolarHBondContact O-CB 3.16Å; N101-S105 PolarHBondContact O-N 3.03Å; N101-S105 VanDerWaalsContact O-N 3.15Å; N101-S105 PolarHBondContact O-OG 3.39Å
102D78.3Confident70.3Confident78 Ų78112.4 Ų112.442%0.41761%0.607SS.*Hα-helixtrans-74.2-35.2175.7-55.3-22.4000110.1I98 S99 I100 S105 M106I98-D102 HydrophobicContact CD1-CB 4.19Å; I98-D102 HydrophobicContact CG1-CB 3.71Å; S99-D102 VanDerWaalsContact CB-CG 3.47Å; S99-D102 WeakPolarHBondContact CB-OD2 3.38Å; S99-D102 PolarHBondContact N-OD2 3.25Å; S99-D102 WeakPolarHBondContact O-CA 3.4Å; S99-D102 VanDerWaalsContact O-CB 3.31Å; S99-D102 WeakPolarHBondContact O-CB 3.39Å; S99-D102 PolarHBondContact O-N 2.85Å; I100-D102 VanDerWaalsContact C-N 3.28Å; I100-D102 PolarHBondContact O-N 2.97Å; D102-S105 WeakPolarHBondContact CA-OG 3.04Å; D102-S105 PolarHBondContact O-OG 2.95Å; D102-M106 PolarHBondContact O-N 3.2Å
103F72.4Confident70Confident115 Ų115113.7 Ų113.750%0.50461%0.61SS.*Hα-helixtrans-67.2-42.4172-76.4-72.9000112.8I98 S99 I100 S105 M106I98-F103 HydrophobicContact CB-CE2 4.01Å; I98-F103 HydrophobicContact CB-CZ 4.31Å; I98-F103 HydrophobicContact CD1-CD1 4.12Å; I98-F103 HydrophobicContact CD1-CD2 4.17Å; I98-F103 HydrophobicContact CD1-CE1 3.95Å; I98-F103 HydrophobicContact CD1-CE2 4.06Å; I98-F103 HydrophobicContact CD1-CG 4.24Å; I98-F103 HydrophobicContact CD1-CZ 3.94Å; I98-F103 HydrophobicContact CG1-CD2 3.88Å; I98-F103 HydrophobicContact CG1-CE2 3.78Å; I98-F103 HydrophobicContact CG1-CG 4.39Å; I98-F103 HydrophobicContact CG1-CZ 4.14Å; I98-F103 HydrophobicContact CG2-CD2 4.12Å; I98-F103 HydrophobicContact CG2-CE1 4.38Å; I98-F103 HydrophobicContact CG2-CE2 3.16Å; I98-F103 HydrophobicContact CG2-CZ 3.32Å; S99-F103 PolarHBondContact O-N 3.36Å; I100-F103 WeakPolarHBondContact O-CB 3.35Å; I100-F103 PolarHBondContact O-N 2.7Å; F103-S105 VanDerWaalsContact C-N 3.26Å; F103-S105 PolarHBondContact O-N 3.43Å; F103-M106 PolarHBondContact O-N 2.96Å
104L78.5Confident69.6Low138 Ų138112.4 Ų112.472%0.72361%0.614SS**Hα-helixtrans-72.9-18.3-178.8-66.4175.4000113.4I100I100-L104 HydrophobicContact CG2-CD1 4.1Å; I100-L104 HydrophobicContact CG2-CG 4.41Å; I100-L104 WeakPolarHBondContact O-CG 3.28Å; I100-L104 PolarHBondContact O-N 2.92Å
105S80.6Confident68.9Low88 Ų88107.4 Ų107.462%0.61561%0.608SS**THydrogen-bonded Turntrans-94.5-4.1175.850.40000113.4N101 D102 F103N101-S105 WeakPolarHBondContact O-CB 3.16Å; N101-S105 PolarHBondContact O-N 3.03Å; N101-S105 VanDerWaalsContact O-N 3.15Å; N101-S105 PolarHBondContact O-OG 3.39Å; D102-S105 WeakPolarHBondContact CA-OG 3.04Å; D102-S105 PolarHBondContact O-OG 2.95Å; F103-S105 VanDerWaalsContact C-N 3.26Å; F103-S105 PolarHBondContact O-N 3.43Å
106M77Confident68.4Low113 Ų113107.1 Ų107.156%0.55759%0.594SS**SBendtrans-76.7125.8174.6-166.417264.100109.7D102 F103D102-M106 PolarHBondContact O-N 3.2Å; F103-M106 PolarHBondContact O-N 2.96Å
107P75.5Confident67.8Low98 Ų98110.7 Ų110.764%0.63659%0.592SS**PPolyproline II helixtrans-61.5146.1175.625.7-32.9000110.2V109P107-V109 PolarHBondContact O-N 3.44Å
108P73.3Confident67Low112 Ų112116.4 Ų116.473%0.72761%0.61SS**PPolyproline II helixtrans-59123.6178.723.6-32.4000110.3L110P108-L110 PolarHBondContact O-N 3.33Å
109V67.6Low66.4Low120 Ų120116 Ų11673%0.72762%0.616SS**SBendtrans-79.271.7175.7-173.90000108.5P107P107-V109 PolarHBondContact O-N 3.44Å
110L58.2Low65.3Low156 Ų156120.6 Ų120.682%0.81764%0.643SS**  trans-135.926.5-177.1-70179.1000114.4P108P108-L110 PolarHBondContact O-N 3.33Å
111E56Low64.3Low171 Ų171121.3 Ų121.380%0.79965%0.648SS**SBendtrans-124-0.3179.6-80.5-173.4157.800116.3A115E111-A115 VanDerWaalsContact O-CB 3.23Å; E111-A115 WeakPolarHBondContact O-CB 3.44Å
112S56Low63Low82 Ų82125.5 Ų125.557%0.57366%0.656SS**Hα-helixtrans-104-18.8-170-47.50000116Q116S112-Q116 VanDerWaalsContact O-CB 3.23Å; S112-Q116 WeakPolarHBondContact O-CB 3.13Å; S112-Q116 PolarHBondContact O-N 2.79Å
113I53.4Low61.8Low130 Ų130127.2 Ų127.267%0.66767%0.674SS**Hα-helixtrans-79.9-41.3-176.5-59.2174.6000110.8R117I113-R117 WeakPolarHBondContact O-CG 3.48Å; I113-R117 PolarHBondContact O-N 2.69Å
114D54.4Low60.7Low118 Ų118129.6 Ų129.663%0.63169%0.692SS**Hα-helixtrans-81.3-28.6177.1-72.9-29.3000113.2R118D114-R118 VanDerWaalsContact O-CG 3.27Å; D114-R118 WeakPolarHBondContact O-CG 3.46Å; D114-R118 PolarHBondContact O-N 3.15Å
115A56.4Low59.2Low61 Ų61130.5 Ų130.550%0.50469%0.693SS.*Hα-helixtrans-68.9-33173.400000112.6E111 S119E111-A115 VanDerWaalsContact O-CB 3.23Å; E111-A115 WeakPolarHBondContact O-CB 3.44Å; A115-S119 PolarHBondContact O-N 2.92Å
116Q56.4Low57.9Low138 Ų138134.8 Ų134.865%0.64570%0.701SS**Hα-helixtrans-77.1-32177-172.7173.5-16.300112.6S112 S119S112-Q116 VanDerWaalsContact O-CB 3.23Å; S112-Q116 WeakPolarHBondContact O-CB 3.13Å; S112-Q116 PolarHBondContact O-N 2.79Å; Q116-S119 PolarHBondContact O-OG 3.43Å; Q116-S119 VanDerWaalsContact O-OG 3.11Å
117R56.5Low56.8Low174 Ų174138.6 Ų138.666%0.65772%0.716SS**Hα-helixtrans-68.6-35.9173.3-74179.5178.5-156.7-0.7111.9I113 S119 T120I113-R117 WeakPolarHBondContact O-CG 3.48Å; I113-R117 PolarHBondContact O-N 2.69Å; R117-S119 PolarHBondContact O-N 2.83Å; R117-T120 PolarHBondContact O-OG1 2.94Å; R117-T120 VanDerWaalsContact O-OG1 3.09Å
118R52.8Low55.5Low203 Ų203139.4 Ų139.477%0.76672%0.715SS**Hα-helixtrans-76.4-15.7-179.6-6717592.3146.66.1114.6D114D114-R118 VanDerWaalsContact O-CG 3.27Å; D114-R118 WeakPolarHBondContact O-CG 3.46Å; D114-R118 PolarHBondContact O-N 3.15Å
119S56Low54.7Low85 Ų85140.2 Ų140.259%0.59472%0.721SS**THydrogen-bonded Turntrans-87.4-10.6177.466.80000114.5A115 Q116 R117A115-S119 PolarHBondContact O-N 2.92Å; Q116-S119 PolarHBondContact O-OG 3.43Å; Q116-S119 VanDerWaalsContact O-OG 3.11Å; R117-S119 PolarHBondContact O-N 2.83Å
120T54.4Low54.3Low113 Ų113141.5 Ų141.569%0.69372%0.723SS**SBendtrans-94.5-2.8-178.5610000114.5R117R117-T120 PolarHBondContact O-OG1 2.94Å; R117-T120 VanDerWaalsContact O-OG1 3.09Å
121L56.2Low53.7Low143 Ų143137.6 Ų137.675%0.74972%0.72SS**SBendtrans-1055.3-174.5-84.2163.9000114.6
122Y54Low53.7Low200 Ų200141.1 Ų141.178%0.78473%0.726SS**SBendtrans-126.5116.3176.6-82.3-88000111.4
123S52Low53.3Low113 Ų113149.4 Ų149.479%0.7975%0.745SS**  trans89.384.6156.5-49.50000117.7
124D48.7Very low53.2Low165 Ų165146.1 Ų146.188%0.88274%0.743SS**  trans-28.7155.6135.1-111.5-35.4000114.5
125E48.7Very low52.9Low157 Ų157146.5 Ų146.573%0.73476%0.755SS**SBendtrans95.587.1167.2-149.1157.4-168.600116.6
126K52.9Low52.7Low179 Ų179149.5 Ų149.578%0.77877%0.767SS**  trans75.468.8156.4-49.7-166.1-172.4-170.10118.4
127H53.1Low52.3Low192 Ų192149 Ų14989%0.88978%0.776SS**  trans-127.8106160.6-76.5-65.4000114.1
128N49.5Very low51.9Low115 Ų115149.2 Ų149.262%0.61578%0.782SS**  trans-45.3135.1168.2-173.37.4000113.1L130N128-L130 PolarHBondContact O-N 3.08Å
129P54.9Low52.3Low129 Ų129147.6 Ų147.684%0.83878%0.783SS**THydrogen-bonded Turntrans-70.110.5-179.228.1-35.3000115.5
130L59.6Low52Low147 Ų147149.5 Ų149.577%0.7778%0.782SS**THydrogen-bonded Turntrans-98.49.5-175.5-63.2176.7000114.9N128 R132N128-L130 PolarHBondContact O-N 3.08Å; L130-R132 PolarHBondContact O-N 2.77Å
131G45Very low52Low74 Ų74151.2 Ų151.276%0.76379%0.787SS**  trans-95.351.9-172.500000116.2
132R56.9Low51.5Low246 Ų246154.7 Ų154.793%0.92879%0.79SS**  trans-115.273.8170.6-143.4179.2-167.6-141.94111.5L130 G134L130-R132 PolarHBondContact O-N 2.77Å; R132-G134 PolarHBondContact O-N 2.99Å; R132-G134 VanDerWaalsContact O-N 3.14Å
133R48.1Very low51.5Low256 Ų256154.1 Ų154.197%0.96680%0.795SS**  trans-72.891.2162.7-85.1-174174.8-166.8-1.1108.7
134G50.7Low51.2Low60 Ų60157.8 Ų157.862%0.61980%0.8SS**  trans-108.3110.8163.600000108.7R132 T136R132-G134 PolarHBondContact O-N 2.99Å; R132-G134 VanDerWaalsContact O-N 3.14Å; G134-T136 PolarHBondContact O-N 2.86Å
135S47.7Very low51.5Low126 Ų126155.6 Ų155.688%0.88180%0.797SS**  trans-65.3106.2-173-32.50000111.9
136T52Low51.8Low124 Ų124157.7 Ų157.776%0.76180%0.803SS**  trans-106.7135.2160.4550000108.4G134 F138G134-T136 PolarHBondContact O-N 2.86Å; T136-F138 PolarHBondContact O-N 3.25Å
137P49.1Very low51.4Low128 Ų128155.4 Ų155.483%0.83181%0.807SS**  trans-62.9125.617625.9-30.3000109.4E139P137-E139 PolarHBondContact O-N 2.78Å
138F47.6Very low51Low179 Ų179156.2 Ų156.279%0.78581%0.808SS**  trans-73.8106.6178.7179.2-95.9000108.9T136 E140T136-F138 PolarHBondContact O-N 3.25Å; F138-E140 HydrophobicContact CD1-CB 4.33Å; F138-E140 HydrophobicContact CE1-CB 3.83Å; F138-E140 HydrophobicContact CE1-CG 4.24Å
139E61.6Low51Low168 Ų168159.7 Ų159.779%0.78582%0.821SS**  trans-96.1113.1163.1-94.1-80.1150.600107.6P137 N141P137-E139 PolarHBondContact O-N 2.78Å; E139-N141 PolarHBondContact O-N 3.02Å
140E49.1Very low50.6Low126 Ų126157.8 Ų157.859%0.58981%0.81SS**  trans-76.8105.1-177-177.7-178.3178.300109.9F138F138-E140 HydrophobicContact CD1-CB 4.33Å; F138-E140 HydrophobicContact CE1-CB 3.83Å; F138-E140 HydrophobicContact CE1-CG 4.24Å
141N53.8Low49.8Very low148 Ų148157.6 Ų157.679%0.79181%0.81SS**  trans-117.893.7162.7-73.7-63.8000109E139 E143E139-N141 PolarHBondContact O-N 3.02Å; N141-E143 PolarHBondContact O-N 2.83Å
142R46.3Very low50.1Low217 Ų217161 Ų16182%0.81981%0.811SS**  trans-62.6111162.2-91.7176.3159.1168.7-5108.7
143E54.6Low49.9Very low188 Ų188156.5 Ų156.588%0.87981%0.805SS**  trans-130.4115.1152.3-102.4-179.7166.100109.1N141 S145N141-E143 PolarHBondContact O-N 2.83Å; E143-S145 PolarHBondContact O-N 3.3Å
144E46Very low50.4Low190 Ų190153.6 Ų153.689%0.88880%0.802SS**  trans-65.5120.2-175.7-62.9173.5159.200110.7
145S54.3Low50.3Low118 Ų118157.4 Ų157.483%0.82582%0.818SS**  trans-119.990.9169.2-68.30000109.8E143E143-S145 PolarHBondContact O-N 3.3Å
146K54.8Low50.3Low201 Ų201154.8 Ų154.887%0.87481%0.811SS**  trans12.9124.7158.3-59.8-179.2179.4-177.70119.3
147P44.2Very low50.1Low132 Ų132154 Ų15486%0.85782%0.817SS**  trans-91.3151.1154.633-23.6000112.3
148K45.1Very low50.2Low208 Ų208154.4 Ų154.490%0.90482%0.817SS**  trans-58.6140.1179.4-73.1171.1168.3176.90114.5
149E48.6Very low50.3Low189 Ų189152.8 Ų152.888%0.88382%0.817SS**  trans-177.9145.8153.4-111.4176.3159.800105.8
150S48.5Very low50.2Low89 Ų89152.8 Ų152.862%0.62282%0.822SS**  cis-179.3139.6-15.542.70000104.4
151N42.4Very low50.6Low142 Ų142154.4 Ų154.476%0.75983%0.83SS**  trans44.2122.4155.4-60.5-20.4000121.1
152D50.3Low50.7Low145 Ų145152.1 Ų152.178%0.77582%0.824SS**  171.3135.1100.7-84.6-32.4000111.3
153D52.5Low51.1Low152 Ų152149.6 Ų149.681%0.81382%0.819SS**  trans50.3112.9150.8-62.4-29.1000121.5
154E59.5Low50.8Low195 Ų195148.6 Ų148.691%0.91181%0.814SS**  174.4104.998.9-167.6164.9-172.500109.1
155C47.7Very low50.8Low140 Ų140142.9 Ų142.995%0.94681%0.806SS**  trans-109120.4175.8-162.60000106.7
156G48Very low50.3Low72 Ų72143.2 Ų143.274%0.74281%0.808SS**  trans147.3105.3165.300000115.2
157A48.6Very low49.8Very low107 Ų107149.2 Ų149.288%0.88483%0.826SS**  1789412800000108.4
158V51Low50.1Low136 Ų136150.1 Ų150.182%0.82482%0.824SS**  trans-77.9131.9152.7-77.30000107.3
159D50.3Low50.4Low145 Ų145147 Ų14778%0.77582%0.82SS**  trans142.9112153-82.9-20.2000110
160D58.9Low50.5Low168 Ų168144.7 Ų144.790%0.89882%0.816SS**  -150.3125.8123.1-126.6-21.9000109.9
161E58.3Low50.6Low160 Ų160147.9 Ų147.975%0.74883%0.828SS**  trans-72.8178.4-175.3-62.7-171.7136.800113.1
162C54.6Low51.1Low101 Ų101148.3 Ų148.368%0.68283%0.832SS**  trans84.1125.4146.4-91.30000116.2
163K54.7Low51.1Low163 Ų163148.5 Ų148.571%0.70984%0.836SS**  cis-158.8150.126.9-71.6-160.3165.9-171.20112.7
164H48.7Very low51Low167 Ų167148.3 Ų148.377%0.77384%0.837SS**  trans56.4127.4143.4-59-29.4000118.7
165G45.3Very low50.4Low70 Ų70144.7 Ų144.772%0.72283%0.832SS**  cis113.390.728.700000109.1
166S44.2Very low50.6Low125 Ų125145.1 Ų145.187%0.87482%0.822SS**  trans16.6103.2157.1-54.60000119.3
167R44.8Very low50.8Low327 Ų327151.7 Ų151.7100%1.23483%0.829SS**  -168.20116.1-119.2-179.4178.6179-0.1111.1

Retrieved 167 of 167 residues in 23.7 ms (Link to these results)