A0A087YRW4_POEFO Loading...

Inhibitor of DNA binding 1, HLH protein

AlphaFold DB , UniProt , Accession A0A087YRW4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 116 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
1M36.4Very low42.6Very low243 Ų243141.7 Ų141.7100%1.19782%0.821SS**  0131.70-95.1140.281.200108.7
2K47.5Very low43.4Very low196 Ų196139.7 Ų139.785%0.85282%0.82SS**  trans39.9136.5140.2-98.5-142.3165.8177.70118.2
3V41.6Very low43.6Very low101 Ų101142.9 Ų142.961%0.61282%0.818SS**  cis178.8162.916.182.20000108.9
4V41.2Very low43.3Very low137 Ų137141.8 Ų141.883%0.8382%0.815SS**  trans66.9135.1151.9166.80000116.2
5G39.3Very low43.1Very low59 Ų59136.5 Ų136.561%0.60880%0.804SS**  cis148.4152.79.200000108.6
6S44Very low43.6Very low106 Ų106132.7 Ų132.774%0.74180%0.802SS**  trans58.7112.7146.4-61.40000120.5
7T45.6Very low44Very low122 Ų122135.2 Ų135.275%0.74880%0.803SS**  87.4126.592.875.70000115.5
8C40.1Very low43.9Very low123 Ų123136.8 Ų136.883%0.83181%0.805SS**  trans9.2137.9153.448.80000121.8
9A40.1Very low44Very low102 Ų102133.8 Ų133.884%0.84381%0.806SS**  trans-162.1119.4132.700000112.3
10L50.9Low44Very low173 Ų173135.7 Ų135.791%0.90681%0.811SS**  trans-59.2143.9166.4-57.1149.8000109.9
11K41.8Very low44.3Very low197 Ų197133.7 Ų133.786%0.85780%0.803SS**  trans-148.999.8147.5-15816267.9-76.70110.9
12S52.3Low44.9Very low117 Ų117129.4 Ų129.482%0.81879%0.785SS**  trans-61.4129.8161.2-179.30000109.5
13K45.9Very low45.2Very low182 Ų182128.8 Ų128.879%0.79179%0.785SS**  trans-164136.5150-167.667.1-178.8-74.30109.8
14V39.8Very low45.6Very low127 Ų127128.9 Ų128.977%0.7779%0.791SS**  trans95.3107153.5132.10000116.6
15G39.8Very low46.1Very low63 Ų63130.2 Ų130.265%0.64979%0.792SS**  69.786.811600000114.2E17G15-E17 PolarHBondContact O-N 2.76Å
16G51.3Low46.5Very low75 Ų75131.4 Ų131.477%0.77380%0.796SS**  trans-74.5117171.800000111
17E50.8Low46.9Very low175 Ų175133.6 Ų133.682%0.81880%0.798SS**  trans-175.986.5152.842.6-131.3114.600108.6G15G15-E17 PolarHBondContact O-N 2.76Å
18I42.2Very low47.4Very low165 Ų165132 Ų13285%0.84679%0.792SS**  trans-106.5116.2156.346.4166.5000107L20I18-L20 PolarHBondContact O-N 3.17Å
19G45.4Very low47.9Very low80 Ų80135.2 Ų135.283%0.82579%0.792SS**  trans-56.5114.9-168.600000113.7S21G19-S21 PolarHBondContact O-N 3.4Å
20L44.8Very low48.1Very low171 Ų171135.6 Ų135.690%0.89579%0.787SS**  trans-85.486.8157.5-59.9-179.5000106.7I18 D22I18-L20 PolarHBondContact O-N 3.17Å; L20-D22 PolarHBondContact O-N 3.12Å; L20-D22 VanDerWaalsContact O-N 3.12Å
21S48.8Very low48.4Very low94 Ų94135.8 Ų135.866%0.65778%0.781SS**  trans-66.3111.1179.6-152.60000110G19 Q23G19-S21 PolarHBondContact O-N 3.4Å; S21-Q23 VanDerWaalsContact C-N 3.28Å; S21-Q23 PolarHBondContact O-N 2.88Å
22D50.4Low49.2Very low153 Ų153131.2 Ų131.282%0.81877%0.765SS**SBendtrans56.3-2.1141.8-59.9-78.2000121.6L20L20-D22 PolarHBondContact O-N 3.12Å; L20-D22 VanDerWaalsContact O-N 3.12Å
23Q52.9Low49.3Very low183 Ų183130 Ų13086%0.85575%0.754SS**  trans-92.4-0.2178.6-93-173.390.400115.4S21S21-Q23 VanDerWaalsContact C-N 3.28Å; S21-Q23 PolarHBondContact O-N 2.88Å
24S50.3Low49.8Very low103 Ų103127.6 Ų127.672%0.7275%0.749SS**SBendtrans-102.67.8-168-164.30000116.3
25L51.1Low50.8Low164 Ų164127.4 Ų127.486%0.85974%0.743SS**SBendtrans-113.1-1.5-178.1-64.6173.6000114.7
26A48.1Very low52.1Low85 Ų85129.1 Ų129.170%0.70274%0.738SS**  trans-103.95.6-178.700000115.2S28A26-S28 PolarHBondContact O-N 3.42Å
27I52.8Low53.1Low151 Ų151132 Ų13277%0.77473%0.731SS**  trans-79.932.6163.3-38.1176.8000109.5K29I27-K29 PolarHBondContact O-N 3.37Å; I27-K29 VanDerWaalsContact O-N 3.16Å
28S56.5Low54.4Low90 Ų90130.5 Ų130.563%0.62972%0.724SS**SBendtrans-75.398160.9-77.70000107.2A26A26-S28 PolarHBondContact O-N 3.42Å
29K50.5Low56.1Low189 Ų189127.4 Ų127.482%0.82271%0.707SS**  trans65.163.7155.7-50.1175176.8-179.70115.5I27 K31I27-K29 PolarHBondContact O-N 3.37Å; I27-K29 VanDerWaalsContact O-N 3.16Å; K29-K31 PolarHBondContact O-N 3.42Å
30C44.3Very low57.6Low111 Ų111127.3 Ų127.375%0.7569%0.687SS**  trans-74.368.8151.3-73.20000109.4I32C30-I32 VanDerWaalsContact C-N 3.3Å; C30-I32 PolarHBondContact O-N 3.26Å; C30-I32 VanDerWaalsContact O-N 3.14Å
31K56Low59.3Low176 Ų176123.3 Ų123.377%0.76567%0.67SS**  trans-74.793.6160.2-159.5176.6-166.3-161.30105K29 P33K29-K31 PolarHBondContact O-N 3.42Å; K31-P33 WeakPolarHBondContact O-CD 3.38Å
32I58.3Low60.9Low101 Ų101124.6 Ų124.652%0.51866%0.664SS.*  trans-85.499166.4-61.4161.7000104.9C30 L34 L35C30-I32 VanDerWaalsContact C-N 3.3Å; C30-I32 PolarHBondContact O-N 3.26Å; C30-I32 VanDerWaalsContact O-N 3.14Å; I32-L34 HydrophobicContact CG2-CB 4.09Å; I32-L34 PolarHBondContact O-N 2.98Å; I32-L35 HydrophobicContact CG2-CB 4.5Å; I32-L35 PolarHBondContact O-N 3.47Å
33P55.4Low62.4Low92 Ų92120.8 Ų120.860%0.59764%0.643SS**Hα-helixtrans-65.4-22.1-174.5-17.934.9000112.1K31 L35 D36 E37K31-P33 WeakPolarHBondContact O-CD 3.38Å; P33-L35 PolarHBondContact O-N 3.05Å; P33-D36 WeakPolarHBondContact O-CB 3.24Å; P33-D36 PolarHBondContact O-N 2.92Å; P33-E37 PolarHBondContact O-N 3.16Å
34L56.2Low63.7Low131 Ų131117.7 Ų117.769%0.68663%0.629SS**Hα-helixtrans-67-34.9-178.7-163.293.9000113.3I32 Q38I32-L34 HydrophobicContact CG2-CB 4.09Å; I32-L34 PolarHBondContact O-N 2.98Å; L34-Q38 VanDerWaalsContact O-CG 3.32Å; L34-Q38 WeakPolarHBondContact O-CG 3.47Å; L34-Q38 PolarHBondContact O-N 3.49Å
35L60.7Low65.5Low123 Ų123117.5 Ų117.564%0.64462%0.62SS**Hα-helixtrans-74.5-31.8177.8-121.774.4000111.4I32 P33 M39I32-L35 HydrophobicContact CG2-CB 4.5Å; I32-L35 PolarHBondContact O-N 3.47Å; P33-L35 PolarHBondContact O-N 3.05Å; L35-M39 WeakPolarHBondContact O-CB 3.4Å; L35-M39 PolarHBondContact O-N 2.9Å
36D67.3Low67.5Low100 Ų100112.7 Ų112.754%0.53559%0.594SS.*Hα-helixtrans-67.2-42.1178.6-157.465.3000111.1P33 M39 N40P33-D36 WeakPolarHBondContact O-CB 3.24Å; P33-D36 PolarHBondContact O-N 2.92Å; D36-M39 PolarHBondContact O-N 2.82Å; D36-N40 VanDerWaalsContact O-CB 3.28Å; D36-N40 WeakPolarHBondContact O-CB 3.45Å; D36-N40 PolarHBondContact O-N 2.68Å
37E73.3Confident69.6Low135 Ų135112.5 Ų112.563%0.63158%0.581SS**Hα-helixtrans-63.5-49.4175.6-169.5109.376.900111.9P33 M39 N40 V41P33-E37 PolarHBondContact O-N 3.16Å; E37-M39 VanDerWaalsContact C-N 3.33Å; E37-M39 PolarHBondContact O-N 3.2Å; E37-N40 PolarHBondContact O-N 3.01Å; E37-V41 WeakPolarHBondContact O-CG2 2.94Å; E37-V41 PolarHBondContact O-N 3.46Å
38Q76.3Confident71.4Confident143 Ų143108.7 Ų108.767%0.66857%0.567SS**Hα-helixtrans-61.4-40.7177.9-69.1-94.596.900111.9L34 V41 F42L34-Q38 VanDerWaalsContact O-CG 3.32Å; L34-Q38 WeakPolarHBondContact O-CG 3.47Å; L34-Q38 PolarHBondContact O-N 3.49Å; Q38-V41 PolarHBondContact O-N 3.39Å; Q38-F42 PolarHBondContact O-N 3.44Å; Q38-F42 VanDerWaalsContact O-N 3.08Å
39M78.4Confident73.2Confident101 Ų101107.3 Ų107.350%0.49856%0.557SS.*Hα-helixtrans-66.9-40.5176.4-177.8-179.764.100111.5L35 D36 E37 F42 L43L35-M39 WeakPolarHBondContact O-CB 3.4Å; L35-M39 PolarHBondContact O-N 2.9Å; D36-M39 PolarHBondContact O-N 2.82Å; E37-M39 VanDerWaalsContact C-N 3.33Å; E37-M39 PolarHBondContact O-N 3.2Å; M39-F42 PolarHBondContact O-N 3.17Å; M39-L43 HydrophobicContact CG-CD1 4.12Å; M39-L43 HydrophobicContact CG-CG 4.44Å; M39-L43 WeakPolarHBondContact O-CB 3.19Å; M39-L43 VanDerWaalsContact O-CG 3.26Å; M39-L43 WeakPolarHBondContact O-CG 3.46Å; M39-L43 PolarHBondContact O-N 2.87Å
40N77.3Confident75.3Confident77 Ų77100.1 Ų100.141%0.41253%0.525SS..Hα-helixtrans-64.3-41.6177-17334000111.6D36 E37 L43 Q44D36-N40 VanDerWaalsContact O-CB 3.28Å; D36-N40 WeakPolarHBondContact O-CB 3.45Å; D36-N40 PolarHBondContact O-N 2.68Å; E37-N40 PolarHBondContact O-N 3.01Å; N40-L43 PolarHBondContact O-N 3.46Å; N40-Q44 WeakPolarHBondContact O-CB 3.46Å; N40-Q44 WeakPolarHBondContact O-CG 3.11Å; N40-Q44 PolarHBondContact O-N 2.92Å
41V79.8Confident77.6Confident87 Ų8798.4 Ų98.453%0.52751%0.514SS..Hα-helixtrans-59.9-47.1174172.50000111.1E37 Q38 L43 Q44 D45E37-V41 WeakPolarHBondContact O-CG2 2.94Å; E37-V41 PolarHBondContact O-N 3.46Å; Q38-V41 PolarHBondContact O-N 3.39Å; V41-L43 PolarHBondContact O-N 3.16Å; V41-Q44 PolarHBondContact O-N 3.45Å; V41-D45 PolarHBondContact O-N 3.46Å
42F82.8Confident79.3Confident121 Ų12195.3 Ų95.353%0.53150%0.501SS..Hα-helixtrans-61.8-41.7176.5176.7-100.9000112.6Q38 M39 Q44 D45 M46Q38-F42 PolarHBondContact O-N 3.44Å; Q38-F42 VanDerWaalsContact O-N 3.08Å; M39-F42 PolarHBondContact O-N 3.17Å; F42-Q44 VanDerWaalsContact C-N 3.34Å; F42-D45 PolarHBondContact O-N 3.44Å; F42-M46 HydrophobicContact CE1-CE 3.72Å; F42-M46 HydrophobicContact CE2-CE 4.02Å; F42-M46 HydrophobicContact CZ-CE 3.32Å; F42-M46 WeakPolarHBondContact O-CB 3.41Å; F42-M46 PolarHBondContact O-N 3.49Å
43L81.9Confident81.1Confident73 Ų7392.7 Ų92.738%0.38249%0.488SS..Hα-helixtrans-67.9-34.1176.9-70176.1000112.2M39 N40 V41 M46 N47M39-L43 HydrophobicContact CG-CD1 4.12Å; M39-L43 HydrophobicContact CG-CG 4.44Å; M39-L43 WeakPolarHBondContact O-CB 3.19Å; M39-L43 VanDerWaalsContact O-CG 3.26Å; M39-L43 WeakPolarHBondContact O-CG 3.46Å; M39-L43 PolarHBondContact O-N 2.87Å; N40-L43 PolarHBondContact O-N 3.46Å; V41-L43 PolarHBondContact O-N 3.16Å; L43-M46 PolarHBondContact O-N 3.12Å; L43-N47 WeakPolarHBondContact O-CB 3.27Å; L43-N47 PolarHBondContact O-N 3.4Å; L43-N47 PolarHBondContact O-ND2 3.49Å
44Q81.6Confident82.9Confident118 Ų11890.3 Ų90.355%0.55147%0.468SS*.Hα-helixtrans-65.4-42.7172.4-77-164.818.700111.8N40 V41 F42 M46 N47 S48N40-Q44 WeakPolarHBondContact O-CB 3.46Å; N40-Q44 WeakPolarHBondContact O-CG 3.11Å; N40-Q44 PolarHBondContact O-N 2.92Å; V41-Q44 PolarHBondContact O-N 3.45Å; F42-Q44 VanDerWaalsContact C-N 3.34Å; Q44-M46 VanDerWaalsContact C-N 3.33Å; Q44-M46 PolarHBondContact O-N 3.14Å; Q44-N47 PolarHBondContact O-N 3.34Å; Q44-S48 WeakPolarHBondContact O-CB 3.45Å; Q44-S48 PolarHBondContact O-N 3.26Å; Q44-S48 PolarHBondContact O-OG 3Å
45D88.3Confident84.6Confident100 Ų10090.2 Ų90.254%0.53546%0.464SS..Hα-helixtrans-60.5-44.6174.6-172.546.7000111.1V41 F42 N47 S48 C49V41-D45 PolarHBondContact O-N 3.46Å; F42-D45 PolarHBondContact O-N 3.44Å; D45-N47 PolarHBondContact O-N 3.25Å; D45-S48 WeakPolarHBondContact O-CB 3.23Å; D45-S48 PolarHBondContact O-N 3.15Å; D45-S48 VanDerWaalsContact O-N 3.11Å; D45-C49 PolarHBondContact O-N 3.33Å; D45-C49 PolarHBondContact O-SG 3.49Å
46M92.6Very high86.2Confident63 Ų6389 Ų8931%0.3146%0.458SS..Hα-helixtrans-61.5-42.8175.6-164.76963.200112.5F42 L43 Q44 S48 C49 Y50F42-M46 HydrophobicContact CE1-CE 3.72Å; F42-M46 HydrophobicContact CE2-CE 4.02Å; F42-M46 HydrophobicContact CZ-CE 3.32Å; F42-M46 WeakPolarHBondContact O-CB 3.41Å; F42-M46 PolarHBondContact O-N 3.49Å; L43-M46 PolarHBondContact O-N 3.12Å; Q44-M46 VanDerWaalsContact C-N 3.33Å; Q44-M46 PolarHBondContact O-N 3.14Å; M46-S48 VanDerWaalsContact C-N 3.28Å; M46-S48 PolarHBondContact O-N 3.4Å; M46-C49 WeakPolarHBondContact O-CB 3.4Å; M46-C49 PolarHBondContact O-N 3.06Å; M46-Y50 HydrophobicContact CG-CD2 4.43Å; M46-Y50 HydrophobicContact CG-CE2 3.89Å; M46-Y50 WeakPolarHBondContact O-CD2 3.29Å; M46-Y50 PolarHBondContact O-N 3.44Å
47N91.1Very high87.5Confident80 Ų8084.5 Ų84.543%0.42843%0.434SS..Hα-helixtrans-66.1-33.1176.3-69.7-33.8000111.8L43 Q44 D45 C49 Y50 S51L43-N47 WeakPolarHBondContact O-CB 3.27Å; L43-N47 PolarHBondContact O-N 3.4Å; L43-N47 PolarHBondContact O-ND2 3.49Å; Q44-N47 PolarHBondContact O-N 3.34Å; D45-N47 PolarHBondContact O-N 3.25Å; N47-C49 VanDerWaalsContact C-N 3.34Å; N47-Y50 PolarHBondContact O-N 2.99Å; N47-S51 PolarHBondContact O-N 3.38Å; N47-S51 PolarHBondContact O-OG 2.98Å
48S92.2Very high88.4Confident71 Ų7182.9 Ų82.950%0.49744%0.435SS..Hα-helixtrans-66-38.1174.4-56.90000111.3Q44 D45 M46 Y50 S51 K52Q44-S48 WeakPolarHBondContact O-CB 3.45Å; Q44-S48 PolarHBondContact O-N 3.26Å; Q44-S48 PolarHBondContact O-OG 3Å; D45-S48 WeakPolarHBondContact O-CB 3.23Å; D45-S48 PolarHBondContact O-N 3.15Å; D45-S48 VanDerWaalsContact O-N 3.11Å; M46-S48 VanDerWaalsContact C-N 3.28Å; M46-S48 PolarHBondContact O-N 3.4Å; S48-Y50 PolarHBondContact O-N 3.03Å; S48-S51 WeakPolarHBondContact O-CB 3.43Å; S48-S51 PolarHBondContact O-N 3.07Å; S48-K52 PolarHBondContact O-N 3.25Å
49C93.8Very high88.9Confident61 Ų6180.1 Ų80.141%0.41243%0.428SS..Hα-helixtrans-58.4-47.5171.6-64.20000111.4D45 M46 N47 S51 K52 L53D45-C49 PolarHBondContact O-N 3.33Å; D45-C49 PolarHBondContact O-SG 3.49Å; M46-C49 WeakPolarHBondContact O-CB 3.4Å; M46-C49 PolarHBondContact O-N 3.06Å; N47-C49 VanDerWaalsContact C-N 3.34Å; C49-S51 VanDerWaalsContact C-N 3.32Å; C49-S51 PolarHBondContact O-N 3.38Å; C49-K52 PolarHBondContact O-N 3.43Å; C49-K52 VanDerWaalsContact O-N 3.12Å; C49-L53 WeakPolarHBondContact O-CG 3.34Å; C49-L53 PolarHBondContact O-N 2.86Å
50Y93.6Very high89.4Confident39 Ų3975.7 Ų75.715%0.15341%0.406CS..Hα-helixtrans-61.9-37176.5-72.8-70.9000113.2M46 N47 S48 K52 L53 K54 K68 I71 L72M46-Y50 HydrophobicContact CG-CD2 4.43Å; M46-Y50 HydrophobicContact CG-CE2 3.89Å; M46-Y50 WeakPolarHBondContact O-CD2 3.29Å; M46-Y50 PolarHBondContact O-N 3.44Å; N47-Y50 PolarHBondContact O-N 2.99Å; S48-Y50 PolarHBondContact O-N 3.03Å; Y50-K52 VanDerWaalsContact C-N 3.34Å; Y50-L53 HydrophobicContact CD1-CD1 4.25Å; Y50-L53 PolarHBondContact O-N 2.93Å; Y50-K54 WeakPolarHBondContact O-CG 3.44Å; Y50-K54 PolarHBondContact O-N 3.13Å; Y50-K68 HydrophobicContact CD2-CD 4.48Å; Y50-K68 HydrophobicContact CD2-CG 4.38Å; Y50-K68 HydrophobicContact CE1-CB 3.96Å; Y50-K68 HydrophobicContact CE1-CG 4.08Å; Y50-K68 HydrophobicContact CE2-CD 3.78Å; Y50-K68 HydrophobicContact CE2-CG 3.95Å; Y50-I71 HydrophobicContact CD1-CB 4.13Å; Y50-I71 HydrophobicContact CD1-CD1 3.95Å; Y50-I71 HydrophobicContact CD1-CG2 3.76Å; Y50-I71 HydrophobicContact CE1-CG2 4.35Å; Y50-I71 HydrophobicContact CG-CD1 4.46Å; Y50-L72 HydrophobicContact CE1-CD2 4.23Å; Y50-L72 HydrophobicContact CE1-CG 4.23Å
51S92.2Very high89.7Confident75 Ų7574.3 Ų74.352%0.52440%0.402SS..Hα-helixtrans-63.3-42.2173.5-62.90000111.3N47 S48 C49 L53 K54 E55N47-S51 PolarHBondContact O-N 3.38Å; N47-S51 PolarHBondContact O-OG 2.98Å; S48-S51 WeakPolarHBondContact O-CB 3.43Å; S48-S51 PolarHBondContact O-N 3.07Å; C49-S51 VanDerWaalsContact C-N 3.32Å; C49-S51 PolarHBondContact O-N 3.38Å; S51-L53 PolarHBondContact O-N 3.46Å; S51-K54 WeakPolarHBondContact O-CB 3.27Å; S51-K54 PolarHBondContact O-N 3.14Å; S51-E55 PolarHBondContact O-N 3.04Å
52K93.4Very high89.7Confident110 Ų11074.6 Ų74.648%0.47840%0.403SS..Hα-helixtrans-64.8-39.7177.3-167.366.9-170165.80112.4S48 C49 Y50 K54 E55 L56S48-K52 PolarHBondContact O-N 3.25Å; C49-K52 PolarHBondContact O-N 3.43Å; C49-K52 VanDerWaalsContact O-N 3.12Å; Y50-K52 VanDerWaalsContact C-N 3.34Å; K52-K54 VanDerWaalsContact C-N 3.27Å; K52-K54 PolarHBondContact O-N 3.03Å; K52-E55 WeakPolarHBondContact CD-OE2 3.49Å; K52-E55 IonicContact NZ-OE2 2.78Å; K52-E55 PolarHBondContact NZ-OE2 3.37Å; K52-E55 PolarHBondContact O-N 3.44Å; K52-E55 VanDerWaalsContact O-N 3.1Å; K52-L56 HydrophobicContact CG-CD1 4.09Å; K52-L56 WeakPolarHBondContact O-CG 3.29Å; K52-L56 PolarHBondContact O-N 3.04Å
53L95.3Very high89.4Confident46 Ų4676.6 Ų76.624%0.24142%0.42CS..Hα-helixtrans-59.8-37.4175.4-66.5170.1000111.9C49 Y50 S51 E55 L56 V57 I71 V75C49-L53 WeakPolarHBondContact O-CG 3.34Å; C49-L53 PolarHBondContact O-N 2.86Å; Y50-L53 HydrophobicContact CD1-CD1 4.25Å; Y50-L53 PolarHBondContact O-N 2.93Å; S51-L53 PolarHBondContact O-N 3.46Å; L53-E55 VanDerWaalsContact C-N 3.27Å; L53-E55 PolarHBondContact O-N 3.22Å; L53-L56 PolarHBondContact O-N 3.39Å; L53-V57 WeakPolarHBondContact O-CB 3.43Å; L53-V57 WeakPolarHBondContact O-CG2 3.3Å; L53-V57 PolarHBondContact O-N 3.42Å; L53-I71 HydrophobicContact CB-CG2 4.01Å; L53-I71 HydrophobicContact CD1-CG2 4.02Å; L53-V75 HydrophobicContact CB-CG2 4.08Å; L53-V75 HydrophobicContact CD1-CG2 4.09Å; L53-V75 HydrophobicContact CD2-CG1 4.31Å; L53-V75 HydrophobicContact CD2-CG2 3.77Å; L53-V75 HydrophobicContact CG-CG2 4.17Å
54K92.3Very high89.3Confident42 Ų4280.4 Ų80.418%0.18343%0.433CS..Hα-helixtrans-67.3-23.2175.9-70.8-176177-166.70114.5Y50 S51 K52 L60 K64Y50-K54 WeakPolarHBondContact O-CG 3.44Å; Y50-K54 PolarHBondContact O-N 3.13Å; S51-K54 WeakPolarHBondContact O-CB 3.27Å; S51-K54 PolarHBondContact O-N 3.14Å; K52-K54 VanDerWaalsContact C-N 3.27Å; K52-K54 PolarHBondContact O-N 3.03Å; K54-L60 HydrophobicContact CG-CB 4.44Å; K54-L60 HydrophobicContact CG-CD1 4.29Å; K54-K64 PolarHBondContact NZ-O 3.39Å
55E93.5Very high89.3Confident129 Ų12985.1 Ų85.160%0.60345%0.452SS*.Hα-helixtrans-81.7-34.4174.2-63.4-176.3157.200111.9S51 K52 L53S51-E55 PolarHBondContact O-N 3.04Å; K52-E55 WeakPolarHBondContact CD-OE2 3.49Å; K52-E55 IonicContact NZ-OE2 2.78Å; K52-E55 PolarHBondContact NZ-OE2 3.37Å; K52-E55 PolarHBondContact O-N 3.44Å; K52-E55 VanDerWaalsContact O-N 3.1Å; L53-E55 VanDerWaalsContact C-N 3.27Å; L53-E55 PolarHBondContact O-N 3.22Å
56L94.6Very high89.2Confident98 Ų9881.4 Ų81.451%0.51344%0.435SS..Hα-helixtrans-86-32-173.9-65.6175.4000113.2K52 L53 P58 Y78K52-L56 HydrophobicContact CG-CD1 4.09Å; K52-L56 WeakPolarHBondContact O-CG 3.29Å; K52-L56 PolarHBondContact O-N 3.04Å; L53-L56 PolarHBondContact O-N 3.39Å; L56-P58 WeakPolarHBondContact O-CD 3.39Å; L56-Y78 VanDerWaalsContact O-CE1 3.3Å; L56-Y78 WeakPolarHBondContact O-CE1 3.45Å
57V94Very high89.3Confident5 Ų581 Ų813%0.0344%0.439CS..  trans-92.4115.2-176.2179.80000110.6L53 T59 L60 H74 V75 Y78L53-V57 WeakPolarHBondContact O-CB 3.43Å; L53-V57 WeakPolarHBondContact O-CG2 3.3Å; L53-V57 PolarHBondContact O-N 3.42Å; V57-T59 WeakPolarHBondContact CG1-OG1 3.19Å; V57-T59 PolarHBondContact O-N 3.07Å; V57-L60 HydrophobicContact CB-CB 4.3Å; V57-L60 HydrophobicContact CB-CD1 3.79Å; V57-L60 HydrophobicContact CB-CG 4Å; V57-L60 HydrophobicContact CG1-CB 4.41Å; V57-L60 HydrophobicContact CG1-CD1 4.1Å; V57-L60 HydrophobicContact CG1-CG 3.89Å; V57-L60 HydrophobicContact CG2-CD1 4.14Å; V57-L60 PolarHBondContact O-N 3.17Å; V57-H74 HydrophobicContact CG1-CB 4.08Å; V57-V75 HydrophobicContact CG2-CB 4.43Å; V57-V75 HydrophobicContact CG2-CG2 3.63Å; V57-Y78 HydrophobicContact CB-CD1 4.39Å; V57-Y78 HydrophobicContact CG1-CD1 4.48Å; V57-Y78 HydrophobicContact CG1-CG 4.29Å; V57-Y78 HydrophobicContact CG2-CD1 3.95Å; V57-Y78 HydrophobicContact CG2-CG 4.49Å
58P90.9Very high89.4Confident101 Ų10182.1 Ų82.166%0.65644%0.44SS*.THydrogen-bonded Turntrans-63.2-26.7-173.9-22.832.9000114.6L56 L60 Y78L56-P58 WeakPolarHBondContact O-CD 3.39Å; P58-L60 VanDerWaalsContact C-N 3.34Å; P58-Y78 VanDerWaalsContact CD-CE2 3.43Å; P58-Y78 HydrophobicContact CG-CD2 4.27Å; P58-Y78 HydrophobicContact CG-CE2 3.74Å
59T87Confident89.6Confident85 Ų8583.2 Ų83.252%0.52144%0.443SS..THydrogen-bonded Turntrans-84.8-9-176.756.80000113.1V57 H74V57-T59 WeakPolarHBondContact CG1-OG1 3.19Å; V57-T59 PolarHBondContact O-N 3.07Å; T59-H74 PolarHBondContact OG1-ND1 3.26Å; T59-H74 VanDerWaalsContact OG1-ND1 3.07Å
60L90.4Very high89.6Confident8 Ų884.6 Ų84.64%0.04244%0.444CS..SBendtrans-86.9133.4-179.1-77.6178.1000112.5K54 V57 P58 T62 I71 H74K54-L60 HydrophobicContact CG-CB 4.44Å; K54-L60 HydrophobicContact CG-CD1 4.29Å; V57-L60 HydrophobicContact CB-CB 4.3Å; V57-L60 HydrophobicContact CB-CD1 3.79Å; V57-L60 HydrophobicContact CB-CG 4Å; V57-L60 HydrophobicContact CG1-CB 4.41Å; V57-L60 HydrophobicContact CG1-CD1 4.1Å; V57-L60 HydrophobicContact CG1-CG 3.89Å; V57-L60 HydrophobicContact CG2-CD1 4.14Å; V57-L60 PolarHBondContact O-N 3.17Å; P58-L60 VanDerWaalsContact C-N 3.34Å; L60-T62 PolarHBondContact O-N 2.96Å; L60-I71 HydrophobicContact CD1-CB 4.3Å; L60-I71 HydrophobicContact CD1-CG1 4.31Å; L60-I71 HydrophobicContact CD1-CG2 3.77Å; L60-I71 HydrophobicContact CD2-CG1 4.18Å; L60-H74 HydrophobicContact CD1-CB 4.27Å; L60-H74 HydrophobicContact CD2-CB 3.65Å; L60-H74 WeakPolarHBondContact CD2-CD2 3.14Å; L60-H74 HydrophobicContact CG-CB 3.75Å
61P83.5Confident89.7Confident49 Ų4983 Ų8332%0.31844%0.438SS..  trans-76.1115.7177.230.2-33.6000111N63 K64P61-N63 VanDerWaalsContact C-N 3.34Å; P61-N63 PolarHBondContact O-N 3.17Å; P61-K64 HydrophobicContact CB-CB 3.81Å; P61-K64 HydrophobicContact CB-CD 4.25Å; P61-K64 HydrophobicContact CB-CG 4.15Å; P61-K64 HydrophobicContact CG-CB 4Å
62T79.1Confident89.9Confident92 Ų9283.1 Ų83.156%0.56443%0.432SS*.THydrogen-bonded Turntrans-65.8-35.5-178.6-19.50000112.4L60L60-T62 PolarHBondContact O-N 2.96Å
63N75.8Confident90Very high163 Ų16383 Ų8387%0.87243%0.434SS*.THydrogen-bonded Turntrans-102.80.9-175.1-65.3-58.9000114.5P61P61-N63 VanDerWaalsContact C-N 3.34Å; P61-N63 PolarHBondContact O-N 3.17Å
64K80Confident90.1Very high153 Ų15383.8 Ų83.867%0.66544%0.436SS*.SBendtrans-111.7156178.9-58.8-178.5175.3174.30111.6K54 P61 A66K54-K64 PolarHBondContact NZ-O 3.39Å; P61-K64 HydrophobicContact CB-CB 3.81Å; P61-K64 HydrophobicContact CB-CD 4.25Å; P61-K64 HydrophobicContact CB-CG 4.15Å; P61-K64 HydrophobicContact CG-CB 4Å; K64-A66 PolarHBondContact O-N 3.17Å
65K82.8Confident90.3Very high217 Ų21782.9 Ų82.994%0.94343%0.433SS*.  trans-76.9119.7172.3-60.2-143176.9-170.50108.4
66A86.4Confident90.5Very high23 Ų2381.5 Ų81.519%0.1943%0.429CS..  trans-117.4142169.300000106.8K64 I71K64-A66 PolarHBondContact O-N 3.17Å; A66-I71 HydrophobicContact CB-CD1 4.43Å; A66-I71 HydrophobicContact CB-CG1 3.97Å
67S93.8Very high90.5Very high55 Ų5581.2 Ų81.239%0.38543%0.428SS..  trans-68.2158.9176.270.90000110.9V69 E70 I71S67-V69 PolarHBondContact O-N 3.46Å; S67-E70 WeakPolarHBondContact CB-OE2 3.44Å; S67-E70 PolarHBondContact N-OE2 3.2Å; S67-E70 PolarHBondContact O-N 2.63Å; S67-E70 WeakPolarHBondContact OG-CB 3.33Å; S67-E70 VanDerWaalsContact OG-CG 3.3Å; S67-E70 WeakPolarHBondContact OG-CG 3.42Å; S67-E70 PolarHBondContact OG-N 2.82Å; S67-E70 PolarHBondContact OG-OE2 3.35Å; S67-I71 WeakPolarHBondContact O-CG1 3.39Å; S67-I71 PolarHBondContact O-N 3.26Å
68K93.4Very high90.6Very high102 Ų10284.3 Ų84.344%0.44344%0.44SS..Hα-helixtrans-56.6-38.3176.7-69-177.1175.9-176.30111.6Y50 I71 L72Y50-K68 HydrophobicContact CD2-CD 4.48Å; Y50-K68 HydrophobicContact CD2-CG 4.38Å; Y50-K68 HydrophobicContact CE1-CB 3.96Å; Y50-K68 HydrophobicContact CE1-CG 4.08Å; Y50-K68 HydrophobicContact CE2-CD 3.78Å; Y50-K68 HydrophobicContact CE2-CG 3.95Å; K68-I71 PolarHBondContact O-N 3.19Å; K68-L72 VanDerWaalsContact O-CG 3.26Å; K68-L72 WeakPolarHBondContact O-CG 3.39Å; K68-L72 PolarHBondContact O-N 3.27Å; K68-L72 VanDerWaalsContact O-N 3.07Å
69V95.6Very high90.9Very high94 Ų9483.4 Ų83.457%0.5743%0.429SS*.Hα-helixtrans-68.6-45.9179.6177.10000111.2S67 I71 L72 Q73S67-V69 PolarHBondContact O-N 3.46Å; V69-I71 VanDerWaalsContact C-N 3.29Å; V69-I71 PolarHBondContact O-N 3.07Å; V69-L72 PolarHBondContact O-N 2.99Å; V69-L72 VanDerWaalsContact O-N 3.13Å; V69-Q73 HydrophobicContact CG1-CG 4.48Å; V69-Q73 WeakPolarHBondContact O-CG 3.26Å; V69-Q73 PolarHBondContact O-N 3.22Å
70E94.7Very high91.2Very high90 Ų9087.3 Ų87.342%0.42143%0.434SS..Hα-helixtrans-58.6-43.5175.4-74.8164114.300111.1S67 L72 Q73 H74S67-E70 WeakPolarHBondContact CB-OE2 3.44Å; S67-E70 PolarHBondContact N-OE2 3.2Å; S67-E70 PolarHBondContact O-N 2.63Å; S67-E70 WeakPolarHBondContact OG-CB 3.33Å; S67-E70 VanDerWaalsContact OG-CG 3.3Å; S67-E70 WeakPolarHBondContact OG-CG 3.42Å; S67-E70 PolarHBondContact OG-N 2.82Å; S67-E70 PolarHBondContact OG-OE2 3.35Å; E70-L72 VanDerWaalsContact C-N 3.32Å; E70-L72 PolarHBondContact O-N 3.38Å; E70-Q73 PolarHBondContact O-N 3.36Å; E70-H74 PolarHBondContact O-CD2 2.94Å; E70-H74 PolarHBondContact O-N 3.12Å
71I94.7Very high91.4Very high5 Ų591.8 Ų91.83%0.02646%0.458CS..Hα-helixtrans-57-47.2175.5-66166.2000110.9Y50 L53 L60 A66 S67 K68 V69 Q73 H74 V75Y50-I71 HydrophobicContact CD1-CB 4.13Å; Y50-I71 HydrophobicContact CD1-CD1 3.95Å; Y50-I71 HydrophobicContact CD1-CG2 3.76Å; Y50-I71 HydrophobicContact CE1-CG2 4.35Å; Y50-I71 HydrophobicContact CG-CD1 4.46Å; L53-I71 HydrophobicContact CB-CG2 4.01Å; L53-I71 HydrophobicContact CD1-CG2 4.02Å; L60-I71 HydrophobicContact CD1-CB 4.3Å; L60-I71 HydrophobicContact CD1-CG1 4.31Å; L60-I71 HydrophobicContact CD1-CG2 3.77Å; L60-I71 HydrophobicContact CD2-CG1 4.18Å; A66-I71 HydrophobicContact CB-CD1 4.43Å; A66-I71 HydrophobicContact CB-CG1 3.97Å; S67-I71 WeakPolarHBondContact O-CG1 3.39Å; S67-I71 PolarHBondContact O-N 3.26Å; K68-I71 PolarHBondContact O-N 3.19Å; V69-I71 VanDerWaalsContact C-N 3.29Å; V69-I71 PolarHBondContact O-N 3.07Å; I71-Q73 VanDerWaalsContact C-N 3.34Å; I71-Q73 PolarHBondContact O-N 3.28Å; I71-H74 PolarHBondContact O-N 3.48Å; I71-V75 HydrophobicContact CG2-CG2 4.38Å; I71-V75 WeakPolarHBondContact O-CG2 3.49Å; I71-V75 PolarHBondContact O-N 3.42Å
72L96.8Very high91.9Very high78 Ų7892 Ų9241%0.40846%0.456SS..Hα-helixtrans-64.7-36.9179.7-67.3173.4000112.7Y50 K68 V69 E70 V75 I76Y50-L72 HydrophobicContact CE1-CD2 4.23Å; Y50-L72 HydrophobicContact CE1-CG 4.23Å; K68-L72 VanDerWaalsContact O-CG 3.26Å; K68-L72 WeakPolarHBondContact O-CG 3.39Å; K68-L72 PolarHBondContact O-N 3.27Å; K68-L72 VanDerWaalsContact O-N 3.07Å; V69-L72 PolarHBondContact O-N 2.99Å; V69-L72 VanDerWaalsContact O-N 3.13Å; E70-L72 VanDerWaalsContact C-N 3.32Å; E70-L72 PolarHBondContact O-N 3.38Å; L72-V75 PolarHBondContact O-N 3.1Å; L72-I76 WeakPolarHBondContact O-CD1 3.5Å; L72-I76 VanDerWaalsContact O-CG1 3.29Å; L72-I76 WeakPolarHBondContact O-CG1 3.34Å; L72-I76 PolarHBondContact O-N 3.41Å
73Q96.5Very high92.4Very high109 Ų10993.5 Ų93.551%0.50946%0.456SS..Hα-helixtrans-62.5-51175.9-71.5174.5-49.600111.2V69 E70 I71 V75 I76 D77V69-Q73 HydrophobicContact CG1-CG 4.48Å; V69-Q73 WeakPolarHBondContact O-CG 3.26Å; V69-Q73 PolarHBondContact O-N 3.22Å; E70-Q73 PolarHBondContact O-N 3.36Å; I71-Q73 VanDerWaalsContact C-N 3.34Å; I71-Q73 PolarHBondContact O-N 3.28Å; Q73-V75 PolarHBondContact O-N 3.42Å; Q73-I76 WeakPolarHBondContact O-CB 3.32Å; Q73-I76 PolarHBondContact O-N 2.78Å; Q73-D77 PolarHBondContact O-N 3.06Å
74H96.1Very high93.1Very high62 Ų6290.1 Ų90.129%0.28744%0.442SS..Hα-helixtrans-60-33.7177.2-77.4-73.8000113.1V57 T59 L60 E70 I71 Y78V57-H74 HydrophobicContact CG1-CB 4.08Å; T59-H74 PolarHBondContact OG1-ND1 3.26Å; T59-H74 VanDerWaalsContact OG1-ND1 3.07Å; L60-H74 HydrophobicContact CD1-CB 4.27Å; L60-H74 HydrophobicContact CD2-CB 3.65Å; L60-H74 WeakPolarHBondContact CD2-CD2 3.14Å; L60-H74 HydrophobicContact CG-CB 3.75Å; E70-H74 PolarHBondContact O-CD2 2.94Å; E70-H74 PolarHBondContact O-N 3.12Å; I71-H74 PolarHBondContact O-N 3.48Å; H74-Y78 VanDerWaalsContact O-CB 3.29Å; H74-Y78 WeakPolarHBondContact O-CB 3.36Å; H74-Y78 PolarHBondContact O-N 3.48Å
75V97Very high93.7Very high22 Ų2290 Ų9013%0.13344%0.444CS..Hα-helixtrans-67.7-41.8175170.40000111.5L53 V57 I71 L72 Q73 Y78 I79L53-V75 HydrophobicContact CB-CG2 4.08Å; L53-V75 HydrophobicContact CD1-CG2 4.09Å; L53-V75 HydrophobicContact CD2-CG1 4.31Å; L53-V75 HydrophobicContact CD2-CG2 3.77Å; L53-V75 HydrophobicContact CG-CG2 4.17Å; V57-V75 HydrophobicContact CG2-CB 4.43Å; V57-V75 HydrophobicContact CG2-CG2 3.63Å; I71-V75 HydrophobicContact CG2-CG2 4.38Å; I71-V75 WeakPolarHBondContact O-CG2 3.49Å; I71-V75 PolarHBondContact O-N 3.42Å; L72-V75 PolarHBondContact O-N 3.1Å; Q73-V75 PolarHBondContact O-N 3.42Å; V75-Y78 PolarHBondContact O-N 3.46Å; V75-I79 HydrophobicContact CG1-CD1 3.77Å; V75-I79 HydrophobicContact CG1-CG1 4.45Å; V75-I79 VanDerWaalsContact O-CG1 3.27Å; V75-I79 WeakPolarHBondContact O-CG1 3.3Å; V75-I79 PolarHBondContact O-N 2.94Å
76I96.6Very high94Very high100 Ų10085.1 Ų85.151%0.51343%0.427SS..Hα-helixtrans-62.1-47.5177.6-70160000110.1L72 Q73 Y78 I79 W80L72-I76 WeakPolarHBondContact O-CD1 3.5Å; L72-I76 VanDerWaalsContact O-CG1 3.29Å; L72-I76 WeakPolarHBondContact O-CG1 3.34Å; L72-I76 PolarHBondContact O-N 3.41Å; Q73-I76 WeakPolarHBondContact O-CB 3.32Å; Q73-I76 PolarHBondContact O-N 2.78Å; I76-Y78 PolarHBondContact O-N 3.2Å; I76-I79 PolarHBondContact O-N 3.44Å; I76-W80 PolarHBondContact O-N 3.49Å
77D95.3Very high93.4Very high92 Ų9289.1 Ų89.149%0.49245%0.445SS..Hα-helixtrans-62.7-43.8179.4-63.6-26.6000110.9Q73 I79 W80 D81Q73-D77 PolarHBondContact O-N 3.06Å; D77-I79 PolarHBondContact O-N 3.3Å; D77-W80 WeakPolarHBondContact O-CB 3.11Å; D77-W80 PolarHBondContact O-N 3.3Å; D77-D81 PolarHBondContact O-N 2.93Å
78Y96.9Very high91.8Very high71 Ų7195 Ų9528%0.27847%0.467SS..Hα-helixtrans-64.1-40.6178.7-177.2-127.5000113.1L56 V57 P58 H74 V75 I76 W80 D81 L82L56-Y78 VanDerWaalsContact O-CE1 3.3Å; L56-Y78 WeakPolarHBondContact O-CE1 3.45Å; V57-Y78 HydrophobicContact CB-CD1 4.39Å; V57-Y78 HydrophobicContact CG1-CD1 4.48Å; V57-Y78 HydrophobicContact CG1-CG 4.29Å; V57-Y78 HydrophobicContact CG2-CD1 3.95Å; V57-Y78 HydrophobicContact CG2-CG 4.49Å; P58-Y78 VanDerWaalsContact CD-CE2 3.43Å; P58-Y78 HydrophobicContact CG-CD2 4.27Å; P58-Y78 HydrophobicContact CG-CE2 3.74Å; H74-Y78 VanDerWaalsContact O-CB 3.29Å; H74-Y78 WeakPolarHBondContact O-CB 3.36Å; H74-Y78 PolarHBondContact O-N 3.48Å; V75-Y78 PolarHBondContact O-N 3.46Å; I76-Y78 PolarHBondContact O-N 3.2Å; Y78-W80 VanDerWaalsContact C-N 3.31Å; Y78-D81 PolarHBondContact O-N 3.26Å; Y78-L82 HydrophobicContact CD1-CD1 4.08Å; Y78-L82 HydrophobicContact CD2-CD1 4.36Å; Y78-L82 HydrophobicContact CD2-CG 4.15Å; Y78-L82 HydrophobicContact CE1-CD1 3.62Å; Y78-L82 HydrophobicContact CE1-CG 4.39Å; Y78-L82 HydrophobicContact CE2-CD1 3.91Å; Y78-L82 HydrophobicContact CE2-CD2 3.93Å; Y78-L82 HydrophobicContact CE2-CG 3.77Å; Y78-L82 HydrophobicContact CG-CD1 4.44Å; Y78-L82 WeakPolarHBondContact O-CB 3.49Å; Y78-L82 VanDerWaalsContact O-CG 3.27Å; Y78-L82 WeakPolarHBondContact O-CG 3.47Å; Y78-L82 PolarHBondContact O-N 2.96Å
79I96.1Very high89.9Confident82 Ų8295 Ų9542%0.42148%0.477SS..Hα-helixtrans-63.6-41.5174.8-69.3166.8000110.3V75 I76 D77 Q83V75-I79 HydrophobicContact CG1-CD1 3.77Å; V75-I79 HydrophobicContact CG1-CG1 4.45Å; V75-I79 VanDerWaalsContact O-CG1 3.27Å; V75-I79 WeakPolarHBondContact O-CG1 3.3Å; V75-I79 PolarHBondContact O-N 2.94Å; I76-I79 PolarHBondContact O-N 3.44Å; D77-I79 PolarHBondContact O-N 3.3Å; I79-Q83 HydrophobicContact CG2-CG 4.37Å; I79-Q83 WeakPolarHBondContact O-CB 3.26Å; I79-Q83 VanDerWaalsContact O-CG 3.23Å; I79-Q83 WeakPolarHBondContact O-CG 3.46Å; I79-Q83 PolarHBondContact O-N 3.11Å
80W94.4Very high87.9Confident167 Ų16795.8 Ų95.863%0.63347%0.474SS*.Hα-helixtrans-62.5-48.3177.6-169.2-58.8000111.2I76 D77 Y78 L82 Q83 V84I76-W80 PolarHBondContact O-N 3.49Å; D77-W80 WeakPolarHBondContact O-CB 3.11Å; D77-W80 PolarHBondContact O-N 3.3Å; Y78-W80 VanDerWaalsContact C-N 3.31Å; W80-L82 VanDerWaalsContact C-N 3.35Å; W80-L82 PolarHBondContact O-N 3.45Å; W80-Q83 WeakPolarHBondContact O-CB 3.45Å; W80-Q83 PolarHBondContact O-N 2.91Å; W80-Q83 VanDerWaalsContact O-N 3.16Å; W80-V84 WeakPolarHBondContact O-CG2 3.49Å; W80-V84 PolarHBondContact O-N 2.92Å
81D93.1Very high85.8Confident101 Ų101101.2 Ų101.254%0.5450%0.497SS..Hα-helixtrans-60.1-45.8180-71.5-20.3000111.1D77 Y78 Q83 V84 E85D77-D81 PolarHBondContact O-N 2.93Å; Y78-D81 PolarHBondContact O-N 3.26Å; D81-Q83 VanDerWaalsContact C-N 3.35Å; D81-Q83 PolarHBondContact O-N 3.41Å; D81-V84 PolarHBondContact O-N 3.26Å; D81-E85 WeakPolarHBondContact O-CB 3.34Å; D81-E85 PolarHBondContact O-N 3.3Å
82L93.9Very high83.7Confident54 Ų54105.8 Ų105.828%0.28353%0.529SS..Hα-helixtrans-61.5-41.5174.9-72.5178.8000112.2Y78 W80 V84 E85 L86Y78-L82 HydrophobicContact CD1-CD1 4.08Å; Y78-L82 HydrophobicContact CD2-CD1 4.36Å; Y78-L82 HydrophobicContact CD2-CG 4.15Å; Y78-L82 HydrophobicContact CE1-CD1 3.62Å; Y78-L82 HydrophobicContact CE1-CG 4.39Å; Y78-L82 HydrophobicContact CE2-CD1 3.91Å; Y78-L82 HydrophobicContact CE2-CD2 3.93Å; Y78-L82 HydrophobicContact CE2-CG 3.77Å; Y78-L82 HydrophobicContact CG-CD1 4.44Å; Y78-L82 WeakPolarHBondContact O-CB 3.49Å; Y78-L82 VanDerWaalsContact O-CG 3.27Å; Y78-L82 WeakPolarHBondContact O-CG 3.47Å; Y78-L82 PolarHBondContact O-N 2.96Å; W80-L82 VanDerWaalsContact C-N 3.35Å; W80-L82 PolarHBondContact O-N 3.45Å; L82-V84 VanDerWaalsContact C-N 3.32Å; L82-V84 PolarHBondContact O-N 3.05Å; L82-E85 PolarHBondContact O-N 3.45Å; L82-L86 WeakPolarHBondContact O-CB 3.48Å; L82-L86 WeakPolarHBondContact O-CD1 3.47Å; L82-L86 WeakPolarHBondContact O-CG 3.28Å; L82-L86 PolarHBondContact O-N 3.04Å
83Q90.6Very high81.4Confident123 Ų123112.1 Ų112.158%0.57555%0.548SS*.Hα-helixtrans-61.1-42.1177-78.5173.9-15.900111.3I79 W80 D81 D87I79-Q83 HydrophobicContact CG2-CG 4.37Å; I79-Q83 WeakPolarHBondContact O-CB 3.26Å; I79-Q83 VanDerWaalsContact O-CG 3.23Å; I79-Q83 WeakPolarHBondContact O-CG 3.46Å; I79-Q83 PolarHBondContact O-N 3.11Å; W80-Q83 WeakPolarHBondContact O-CB 3.45Å; W80-Q83 PolarHBondContact O-N 2.91Å; W80-Q83 VanDerWaalsContact O-N 3.16Å; D81-Q83 VanDerWaalsContact C-N 3.35Å; D81-Q83 PolarHBondContact O-N 3.41Å; Q83-D87 WeakPolarHBondContact O-CB 3.32Å; Q83-D87 PolarHBondContact O-N 3.27Å
84V90.9Very high79Confident93 Ų93114.6 Ų114.656%0.56456%0.559SS**Hα-helixtrans-68.1-44.5177.11740000111.7W80 D81 L82 L86 D87W80-V84 WeakPolarHBondContact O-CG2 3.49Å; W80-V84 PolarHBondContact O-N 2.92Å; D81-V84 PolarHBondContact O-N 3.26Å; L82-V84 VanDerWaalsContact C-N 3.32Å; L82-V84 PolarHBondContact O-N 3.05Å; V84-L86 VanDerWaalsContact C-N 3.28Å; V84-L86 PolarHBondContact O-N 3.23Å; V84-D87 PolarHBondContact O-N 2.89Å
85E91.6Very high76.6Confident151 Ų151119.7 Ų119.771%0.70658%0.583SS**Hα-helixtrans-64.5-34.5179.6-172.3174.5-178.700112D81 L82D81-E85 WeakPolarHBondContact O-CB 3.34Å; D81-E85 PolarHBondContact O-N 3.3Å; L82-E85 PolarHBondContact O-N 3.45Å
86L89.8Confident74.3Confident113 Ų113127 Ų12759%0.59262%0.616SS**Hα-helixtrans-89.3-8.8179.9-63172.5000114.2L82 V84 E88 P89L82-L86 WeakPolarHBondContact O-CB 3.48Å; L82-L86 WeakPolarHBondContact O-CD1 3.47Å; L82-L86 WeakPolarHBondContact O-CG 3.28Å; L82-L86 PolarHBondContact O-N 3.04Å; V84-L86 VanDerWaalsContact C-N 3.28Å; V84-L86 PolarHBondContact O-N 3.23Å; L86-E88 PolarHBondContact O-N 3.34Å; L86-E88 VanDerWaalsContact O-N 3.17Å; L86-P89 WeakPolarHBondContact O-CD 3.19Å
87D74.3Confident71.9Confident107 Ų107127.7 Ų127.757%0.57263%0.629SS**  trans-68.6-12.3-175.7-146.8-117.2000113.3Q83 V84 P89 E90Q83-D87 WeakPolarHBondContact O-CB 3.32Å; Q83-D87 PolarHBondContact O-N 3.27Å; V84-D87 PolarHBondContact O-N 2.89Å; D87-P89 VanDerWaalsContact C-N 3.31Å; D87-E90 PolarHBondContact O-N 2.95Å
88E60.4Low69.8Low180 Ų180128.8 Ų128.884%0.84164%0.639SS**THydrogen-bonded Turntrans-83.427.7178.6-84-71.8128.300115.5L86L86-E88 PolarHBondContact O-N 3.34Å; L86-E88 VanDerWaalsContact O-N 3.17Å
89P53.5Low67.6Low102 Ų102130.2 Ų130.266%0.66266%0.657SS**THydrogen-bonded Turntrans-144.110.3136.529.3-9.1000116.8L86 D87L86-P89 WeakPolarHBondContact O-CD 3.19Å; D87-P89 VanDerWaalsContact C-N 3.31Å
90E52.3Low65.8Low109 Ų109137.9 Ų137.951%0.50968%0.681SS.*  trans-112.338.3-170.1-67.2-69.2133.200114.5D87 S92D87-E90 PolarHBondContact O-N 2.95Å; E90-S92 PolarHBondContact O-N 3.24Å
91K50.8Low64Low204 Ų204134.5 Ų134.589%0.88768%0.679SS**THydrogen-bonded Turntrans-60.78.4172.7-161.4163.4-171.8164.30115.1
92S50.1Low62.4Low102 Ų102133.7 Ų133.771%0.71368%0.679SS**THydrogen-bonded Turntrans-132.122.8-170.2-51.20000115.2E90E90-S92 PolarHBondContact O-N 3.24Å
93R49.1Very low60.5Low211 Ų211138.2 Ų138.280%0.79670%0.703SS**SBendtrans-122.661.1167.2-57.7-16783.1162.93.4111.6
94Q46.1Very low59.1Low161 Ų161137.5 Ų137.575%0.75271%0.707SS**  trans6119.3149-75.9164.4-28.500116.3
95Q46.8Very low57.8Low168 Ų168135.8 Ų135.879%0.78570%0.697SS**  trans7166.5135.7-57.3179.8-35.200117.9
96H47.3Very low56.7Low177 Ų177133.4 Ų133.482%0.81969%0.688SS**  trans-132.743.1151.5-84.7-93.7000112.1V98H96-V98 PolarHBondContact O-N 2.85Å; H96-V98 VanDerWaalsContact O-N 3.12Å
97S47Very low55.4Low113 Ų113133.1 Ų133.179%0.7969%0.687SS**  trans-7978.3155.762.60000108.2P99S97-P99 VanDerWaalsContact O-CD 3.24Å; S97-P99 WeakPolarHBondContact O-CD 3.37Å
98V51.2Low55.1Low115 Ų115131 Ų13170%0.69769%0.685SS**  trans-71.5112.5166.7-141.10000105.9H96 R100H96-V98 PolarHBondContact O-N 2.85Å; H96-V98 VanDerWaalsContact O-N 3.12Å; V98-R100 PolarHBondContact O-N 3.08Å
99P50.9Low55.4Low102 Ų102127.8 Ų127.866%0.66267%0.669SS**  trans-66.3123.6173.926.5-24.8000106.1S97 T101S97-P99 VanDerWaalsContact O-CD 3.24Å; S97-P99 WeakPolarHBondContact O-CD 3.37Å; P99-T101 VanDerWaalsContact C-N 3.35Å; P99-T101 PolarHBondContact O-N 2.82Å
100R57.6Low55.8Low242 Ų242128.5 Ų128.591%0.91367%0.667SS**  trans-61.699.6176.2-63.7-165.1-171.5125.90.4108V98V98-R100 PolarHBondContact O-N 3.08Å
101T57.7Low56.2Low97 Ų97126.9 Ų126.960%0.59567%0.673SS**  trans-62.5126.817436.50000108.5P99P99-T101 VanDerWaalsContact C-N 3.35Å; P99-T101 PolarHBondContact O-N 2.82Å
102P58Low56.6Low84 Ų84121.4 Ų121.455%0.54566%0.66SS.*  trans-62.4146.1-17925.2-32.8000110.3T104 T105P102-T104 PolarHBondContact O-N 3.48Å; P102-T105 PolarHBondContact O-N 3.41Å; P102-T105 PolarHBondContact O-OG1 3.49Å
103L54.7Low57.2Low149 Ų149122.8 Ų122.878%0.7866%0.658SS**Hα-helixtrans-49.2-24.1179.2-107.7104000114T105 N107L103-T105 VanDerWaalsContact C-N 3.28Å; L103-T105 PolarHBondContact O-N 2.88Å; L103-N107 PolarHBondContact O-N 3.36Å
104T61.6Low57.5Low107 Ų107117.6 Ų117.666%0.65665%0.654SS**Hα-helixtrans-58.7-35.3175.1-110.40000113.2P102 N107 A108P102-T104 PolarHBondContact O-N 3.48Å; T104-N107 PolarHBondContact O-N 2.97Å; T104-A108 PolarHBondContact O-N 2.97Å; T104-A108 VanDerWaalsContact O-N 3.15Å
105T63.2Low57.8Low58 Ų58116.4 Ų116.436%0.35666%0.657SS.*Hα-helixtrans-67.2-43.2-176.5-55.40000111.4P102 L103 N107 A108 E109P102-T105 PolarHBondContact O-N 3.41Å; P102-T105 PolarHBondContact O-OG1 3.49Å; L103-T105 VanDerWaalsContact C-N 3.28Å; L103-T105 PolarHBondContact O-N 2.88Å; T105-N107 VanDerWaalsContact C-N 3.35Å; T105-N107 PolarHBondContact O-N 3.22Å; T105-A108 PolarHBondContact O-N 3.14Å; T105-E109 PolarHBondContact O-N 3.35Å; T105-E109 VanDerWaalsContact O-N 3.16Å
106L67.9Low57.6Low101 Ų101121.1 Ų121.153%0.52968%0.679SS.*Hα-helixtrans-69.1-33178.8-61.9-175.1000112.6A108 E109 L110L106-A108 VanDerWaalsContact C-N 3.32Å; L106-A108 PolarHBondContact O-N 3.36Å; L106-E109 PolarHBondContact O-N 3.5Å; L106-L110 PolarHBondContact O-N 3.17Å
107N62.7Low58.1Low107 Ų107118.4 Ų118.457%0.57267%0.672SS**Hα-helixtrans-67.3-33.1174.9-79.89.9000112.4L103 T104 T105 A111L103-N107 PolarHBondContact O-N 3.36Å; T104-N107 PolarHBondContact O-N 2.97Å; T105-N107 VanDerWaalsContact C-N 3.35Å; T105-N107 PolarHBondContact O-N 3.22Å; N107-A111 PolarHBondContact O-N 3.34Å
108A68.4Low58.7Low62 Ų62118.6 Ų118.651%0.51267%0.666SS.*Hα-helixtrans-70.5-39.1174.800000111.9T104 T105 L106 A111 S112T104-A108 PolarHBondContact O-N 2.97Å; T104-A108 VanDerWaalsContact O-N 3.15Å; T105-A108 PolarHBondContact O-N 3.14Å; L106-A108 VanDerWaalsContact C-N 3.32Å; L106-A108 PolarHBondContact O-N 3.36Å; A108-A111 PolarHBondContact O-N 3.44Å; A108-S112 PolarHBondContact O-N 3.36Å; A108-S112 VanDerWaalsContact O-N 3.14Å
109E66Low59.1Low112 Ų112118.8 Ų118.852%0.52366%0.664SS.*Hα-helixtrans-67.4-39.8177-68.7-161.1108.200112.2T105 L106 A111 S112 I113T105-E109 PolarHBondContact O-N 3.35Å; T105-E109 VanDerWaalsContact O-N 3.16Å; L106-E109 PolarHBondContact O-N 3.5Å; E109-A111 VanDerWaalsContact C-N 3.31Å; E109-A111 PolarHBondContact O-N 3.22Å; E109-S112 WeakPolarHBondContact CA-OG 3.36Å; E109-S112 PolarHBondContact O-N 2.8Å; E109-S112 VanDerWaalsContact O-N 3.12Å; E109-S112 PolarHBondContact O-OG 3Å; E109-I113 WeakPolarHBondContact O-CD1 3.14Å; E109-I113 WeakPolarHBondContact O-CG1 3.47Å; E109-I113 PolarHBondContact O-N 3.16Å
110L62.6Low59.6Low118 Ų118119.8 Ų119.862%0.61867%0.665SS**Hα-helixtrans-62.9-36.1174-77.5164.4000113L106 S112 I113L106-L110 PolarHBondContact O-N 3.17Å; L110-S112 VanDerWaalsContact C-N 3.3Å; L110-S112 PolarHBondContact O-N 3.12Å; L110-I113 PolarHBondContact O-N 3.23Å
111A59.8Low59.8Low75 Ų75112.2 Ų112.262%0.6265%0.649SS**Hα-helixtrans-69.2-28.8175.400000112.5N107 A108 E109N107-A111 PolarHBondContact O-N 3.34Å; A108-A111 PolarHBondContact O-N 3.44Å; E109-A111 VanDerWaalsContact C-N 3.31Å; E109-A111 PolarHBondContact O-N 3.22Å
112S59.4Low59.9Low88 Ų88113.2 Ų113.262%0.61565%0.653SS**Hα-helixtrans-77.3-16.4177.868.90000114.5A108 E109 L110A108-S112 PolarHBondContact O-N 3.36Å; A108-S112 VanDerWaalsContact O-N 3.14Å; E109-S112 WeakPolarHBondContact CA-OG 3.36Å; E109-S112 PolarHBondContact O-N 2.8Å; E109-S112 VanDerWaalsContact O-N 3.12Å; E109-S112 PolarHBondContact O-OG 3Å; L110-S112 VanDerWaalsContact C-N 3.3Å; L110-S112 PolarHBondContact O-N 3.12Å
113I62.3Low60Low131 Ų131115.3 Ų115.367%0.67266%0.66SS**THydrogen-bonded Turntrans-87.2-8.6-178.4-64.2160000112.2E109 L110 V115E109-I113 WeakPolarHBondContact O-CD1 3.14Å; E109-I113 WeakPolarHBondContact O-CG1 3.47Å; E109-I113 PolarHBondContact O-N 3.16Å; L110-I113 PolarHBondContact O-N 3.23Å; I113-V115 PolarHBondContact O-N 2.87Å
114S56.3Low60.4Low102 Ų102112.7 Ų112.771%0.71365%0.651SS**SBendtrans-94.925-175.1-164.20000115.4
115V53.1Low60.3Low136 Ų136113.2 Ų113.282%0.82465%0.651SS**  trans-137.785.7166.2179.40000109.1I113I113-V115 PolarHBondContact O-N 2.87Å
116E42.3Very low60.1Low268 Ų268118.2 Ų118.2100%1.25268%0.677SS**  trans-158.10130.8-156.9162.185.200109.9

Retrieved 116 of 116 residues in 44.5 ms (Link to these results)