A0A3Q0KSD6_SCHMA Loading...

Protein FAM183A

AlphaFold DB , UniProt , Accession A0A3Q0KSD6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 129 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
1M40Very low55.7Low240 Ų240143.9 Ų143.9100%1.18279%0.792SS**  0143.40-77.8-164166.700108
2S45.5Very low58.2Low112 Ų112146.5 Ų146.578%0.78378%0.783SS**  trans67.394.6-179.366.40000118.8
3D47.2Very low60.3Low165 Ų165143.4 Ų143.488%0.88277%0.772SS**  trans62.277.7133.1-61-3.4000120.2
4S41.2Very low62.2Low115 Ų115141.4 Ų141.480%0.80476%0.755SS**  trans-87.5142.3145.4-61.20000109.5
5S46.5Very low63.9Low117 Ų117137.9 Ų137.982%0.81873%0.733SS**  trans89.344.5156.975.60000121.5
6N51.8Low65.7Low145 Ų145132 Ų13278%0.77571%0.709SS**  trans-10062.2153.4-107.8-31.2000110.9K8N6-K8 PolarHBondContact O-N 2.97Å
7N53.7Low67.3Low160 Ų160129.1 Ų129.186%0.85670%0.697SS**  trans-69.475.9160.1-113.9-22.1000106.8I9N7-I9 PolarHBondContact O-N 2.64Å
8K64.3Low68.7Low171 Ų171126.4 Ų126.474%0.74368%0.681SS**  trans-57.6104.6175.4-78.2179.3178.5177.10106.7N6 L10N6-K8 PolarHBondContact O-N 2.97Å; K8-L10 PolarHBondContact O-N 3.36Å
9I70.9Confident70Confident164 Ų164125.5 Ų125.584%0.84167%0.674SS**  trans-46.9116.9174.2-65.8164.9000106.9N7 N11N7-I9 PolarHBondContact O-N 2.64Å; I9-N11 PolarHBondContact O-N 3.29Å
10L70.3Confident71.3Confident96 Ų96123.6 Ų123.650%0.50366%0.663SS.*  trans-65.6104.1-173.3-152.985.2000108.4K8 Y12 Q15K8-L10 PolarHBondContact O-N 3.36Å; L10-Y12 HydrophobicContact CD2-CD1 4.45Å; L10-Y12 HydrophobicContact CD2-CE1 3.95Å; L10-Y12 PolarHBondContact O-N 3.36Å; L10-Y12 VanDerWaalsContact O-N 3.11Å; L10-Q15 VanDerWaalsContact CG-NE2 3.3Å
11N81.8Confident72.5Confident98 Ų98122.3 Ų122.352%0.52465%0.653SS.*  trans-80.995.4178.8-172.2-28.1000109.2I9 V13 H14 Q15I9-N11 PolarHBondContact O-N 3.29Å; N11-V13 PolarHBondContact O-N 3.08Å; N11-V13 VanDerWaalsContact OD1-CB 3.32Å; N11-V13 WeakPolarHBondContact OD1-CB 3.1Å; N11-V13 PolarHBondContact OD1-N 3.1Å; N11-H14 HydrophobicContact CB-CB 4.02Å; N11-H14 WeakPolarHBondContact O-CB 3.3Å; N11-H14 PolarHBondContact O-N 3.02Å; N11-H14 PolarHBondContact OD1-N 3.16Å; N11-Q15 PolarHBondContact O-N 3.46Å; N11-Q15 VanDerWaalsContact O-N 3.16Å
12Y86Confident75.1Confident175 Ų175113.7 Ų113.769%0.68661%0.614SS**Hα-helixtrans-54.7-33.7178.7-64.8-75.1000113.1L10 Q15 A16L10-Y12 HydrophobicContact CD2-CD1 4.45Å; L10-Y12 HydrophobicContact CD2-CE1 3.95Å; L10-Y12 PolarHBondContact O-N 3.36Å; L10-Y12 VanDerWaalsContact O-N 3.11Å; Y12-Q15 PolarHBondContact O-N 3.2Å; Y12-A16 WeakPolarHBondContact O-CB 3.4Å; Y12-A16 PolarHBondContact O-N 3.03Å
13V85.4Confident77.5Confident106 Ų106111.9 Ų111.964%0.64260%0.595SS**Hα-helixtrans-66.2-42.7177.7-1750000110.3N11 A16 V17N11-V13 PolarHBondContact O-N 3.08Å; N11-V13 VanDerWaalsContact OD1-CB 3.32Å; N11-V13 WeakPolarHBondContact OD1-CB 3.1Å; N11-V13 PolarHBondContact OD1-N 3.1Å; V13-A16 PolarHBondContact O-N 2.95Å; V13-V17 WeakPolarHBondContact O-CG2 3.43Å; V13-V17 PolarHBondContact O-N 3.26Å
14H86.6Confident79.8Confident115 Ų115111.3 Ų111.353%0.53259%0.585SS.*Hα-helixtrans-64.6-41.2178-174.360.2000112.2N11 V17 I18N11-H14 HydrophobicContact CB-CB 4.02Å; N11-H14 WeakPolarHBondContact O-CB 3.3Å; N11-H14 PolarHBondContact O-N 3.02Å; N11-H14 PolarHBondContact OD1-N 3.16Å; H14-V17 PolarHBondContact O-N 3.03Å; H14-I18 WeakPolarHBondContact O-CG1 3.42Å; H14-I18 PolarHBondContact O-N 3.33Å; H14-I18 VanDerWaalsContact O-N 3.08Å
15Q87.7Confident82.3Confident90 Ų90111.2 Ų111.242%0.42157%0.57SS.*Hα-helixtrans-62.6-42.7175.3-69.1-175.9-1600112.1L10 N11 Y12 V17 I18 M19L10-Q15 VanDerWaalsContact CG-NE2 3.3Å; N11-Q15 PolarHBondContact O-N 3.46Å; N11-Q15 VanDerWaalsContact O-N 3.16Å; Y12-Q15 PolarHBondContact O-N 3.2Å; Q15-V17 VanDerWaalsContact C-N 3.3Å; Q15-V17 PolarHBondContact O-N 3.42Å; Q15-I18 PolarHBondContact O-N 3.11Å; Q15-M19 WeakPolarHBondContact O-CB 3.45Å; Q15-M19 PolarHBondContact O-N 3.05Å
16A92.3Very high84.5Confident43 Ų43112 Ų11236%0.35556%0.56SS.*Hα-helixtrans-62.6-37.5176.300000112.1Y12 V13 M19 N20Y12-A16 WeakPolarHBondContact O-CB 3.4Å; Y12-A16 PolarHBondContact O-N 3.03Å; V13-A16 PolarHBondContact O-N 2.95Å; A16-M19 PolarHBondContact O-N 2.75Å; A16-N20 WeakPolarHBondContact O-CB 3.33Å; A16-N20 PolarHBondContact O-N 3.49Å; A16-N20 PolarHBondContact O-ND2 2.97Å; A16-N20 VanDerWaalsContact O-ND2 3.11Å
17V93Very high86.4Confident83 Ų83110.1 Ų110.150%0.50355%0.55SS.*Hα-helixtrans-63.5-45.9175.4171.50000111.4V13 H14 Q15 N20 E21V13-V17 WeakPolarHBondContact O-CG2 3.43Å; V13-V17 PolarHBondContact O-N 3.26Å; H14-V17 PolarHBondContact O-N 3.03Å; Q15-V17 VanDerWaalsContact C-N 3.3Å; Q15-V17 PolarHBondContact O-N 3.42Å; V17-N20 PolarHBondContact O-N 3.19Å; V17-E21 PolarHBondContact O-N 3.47Å
18I91.8Very high88.2Confident80 Ų80110.7 Ų110.741%0.4155%0.545SS..Hα-helixtrans-60.5-47.8176.8-66.8167.5000110.4H14 Q15 N20 E21 T22H14-I18 WeakPolarHBondContact O-CG1 3.42Å; H14-I18 PolarHBondContact O-N 3.33Å; H14-I18 VanDerWaalsContact O-N 3.08Å; Q15-I18 PolarHBondContact O-N 3.11Å; I18-N20 VanDerWaalsContact C-N 3.32Å; I18-N20 PolarHBondContact O-N 3.5Å; I18-E21 WeakPolarHBondContact O-CB 3.32Å; I18-E21 PolarHBondContact O-N 3.13Å; I18-E21 VanDerWaalsContact O-N 3.1Å; I18-T22 HydrophobicContact CG2-CG2 4.45Å; I18-T22 WeakPolarHBondContact O-CG2 3.39Å; I18-T22 PolarHBondContact O-N 3.39Å; I18-T22 PolarHBondContact O-OG1 3.35Å
19M94.6Very high89.3Confident110 Ų110109.3 Ų109.354%0.54254%0.541SS..Hα-helixtrans-61.6-40.6-179.9-170.9176.978.700112.1Q15 A16 E21 T22 I23Q15-M19 WeakPolarHBondContact O-CB 3.45Å; Q15-M19 PolarHBondContact O-N 3.05Å; A16-M19 PolarHBondContact O-N 2.75Å; M19-E21 VanDerWaalsContact C-N 3.31Å; M19-E21 PolarHBondContact O-N 3.09Å; M19-T22 WeakPolarHBondContact CA-OG1 3.46Å; M19-T22 PolarHBondContact O-N 2.93Å; M19-T22 PolarHBondContact O-OG1 2.91Å; M19-I23 HydrophobicContact CG-CD1 3.99Å; M19-I23 WeakPolarHBondContact O-CB 3.37Å; M19-I23 WeakPolarHBondContact O-CD1 3.46Å; M19-I23 VanDerWaalsContact O-CG1 3.24Å; M19-I23 WeakPolarHBondContact O-CG1 3.29Å; M19-I23 PolarHBondContact O-N 3.43Å
20N95.5Very high90Very high87 Ų87107.2 Ų107.247%0.46553%0.528SS..Hα-helixtrans-65-36.6175.4-74.4-29.7000112A16 V17 I18 K24A16-N20 WeakPolarHBondContact O-CB 3.33Å; A16-N20 PolarHBondContact O-N 3.49Å; A16-N20 PolarHBondContact O-ND2 2.97Å; A16-N20 VanDerWaalsContact O-ND2 3.11Å; V17-N20 PolarHBondContact O-N 3.19Å; I18-N20 VanDerWaalsContact C-N 3.32Å; I18-N20 PolarHBondContact O-N 3.5Å; N20-K24 WeakPolarHBondContact O-CB 3.24Å; N20-K24 VanDerWaalsContact O-CG 3.29Å; N20-K24 WeakPolarHBondContact O-CG 3.48Å; N20-K24 PolarHBondContact O-N 3Å
21E95.8Very high90.7Very high97 Ų97110.7 Ų110.745%0.45354%0.539SS..Hα-helixtrans-67.3-42.9175.7-167.2-170.2161.200111.8V17 I18 M19 K24 K25V17-E21 PolarHBondContact O-N 3.47Å; I18-E21 WeakPolarHBondContact O-CB 3.32Å; I18-E21 PolarHBondContact O-N 3.13Å; I18-E21 VanDerWaalsContact O-N 3.1Å; M19-E21 VanDerWaalsContact C-N 3.31Å; M19-E21 PolarHBondContact O-N 3.09Å; E21-K24 PolarHBondContact O-N 3.36Å; E21-K25 WeakPolarHBondContact O-CG 3.49Å; E21-K25 PolarHBondContact O-N 3.28Å; E21-K25 WeakPolarHBondContact OE1-CE 3.48Å; E21-K25 IonicContact OE1-NZ 2.64Å; E21-K25 PolarHBondContact OE1-NZ 3.4Å
22T95.5Very high90.8Very high59 Ų59112.1 Ų112.136%0.36255%0.545SS..Hα-helixtrans-64-46.7177.7550000111.2I18 M19 K24 K25 E26I18-T22 HydrophobicContact CG2-CG2 4.45Å; I18-T22 WeakPolarHBondContact O-CG2 3.39Å; I18-T22 PolarHBondContact O-N 3.39Å; I18-T22 PolarHBondContact O-OG1 3.35Å; M19-T22 WeakPolarHBondContact CA-OG1 3.46Å; M19-T22 PolarHBondContact O-N 2.93Å; M19-T22 PolarHBondContact O-OG1 2.91Å; T22-K24 VanDerWaalsContact C-N 3.32Å; T22-K24 PolarHBondContact O-N 3.37Å; T22-K25 PolarHBondContact O-N 2.9Å; T22-K25 VanDerWaalsContact O-N 3.11Å; T22-E26 WeakPolarHBondContact O-CG 3.3Å; T22-E26 PolarHBondContact O-N 2.95Å
23I94.8Very high90.6Very high73 Ų73111.5 Ų111.537%0.37455%0.546SS..Hα-helixtrans-58.3-44.4176-68.2166.5000110.6M19 K25 E26 L27M19-I23 HydrophobicContact CG-CD1 3.99Å; M19-I23 WeakPolarHBondContact O-CB 3.37Å; M19-I23 WeakPolarHBondContact O-CD1 3.46Å; M19-I23 VanDerWaalsContact O-CG1 3.24Å; M19-I23 WeakPolarHBondContact O-CG1 3.29Å; M19-I23 PolarHBondContact O-N 3.43Å; I23-K25 VanDerWaalsContact C-N 3.34Å; I23-K25 PolarHBondContact O-N 3Å; I23-E26 PolarHBondContact O-N 3.46Å; I23-L27 HydrophobicContact CG2-CD1 3.76Å; I23-L27 HydrophobicContact CG2-CG 4.24Å; I23-L27 WeakPolarHBondContact O-CB 3.42Å; I23-L27 VanDerWaalsContact O-CG 3.3Å; I23-L27 WeakPolarHBondContact O-CG 3.49Å; I23-L27 PolarHBondContact O-N 3.11Å
24K95.7Very high90.5Very high154 Ų154112 Ų11267%0.6755%0.549SS*.Hα-helixtrans-62.1-39.7176.6-79.4177.8-179.6-179.70112.6N20 E21 T22 K28N20-K24 WeakPolarHBondContact O-CB 3.24Å; N20-K24 VanDerWaalsContact O-CG 3.29Å; N20-K24 WeakPolarHBondContact O-CG 3.48Å; N20-K24 PolarHBondContact O-N 3Å; E21-K24 PolarHBondContact O-N 3.36Å; T22-K24 VanDerWaalsContact C-N 3.32Å; T22-K24 PolarHBondContact O-N 3.37Å; K24-K28 VanDerWaalsContact O-CB 3.3Å; K24-K28 WeakPolarHBondContact O-CB 3.47Å; K24-K28 PolarHBondContact O-N 3.07Å
25K95Very high90.3Very high112 Ų112115 Ų11549%0.48756%0.563SS.*Hα-helixtrans-67-42177.2-75.7175.1-177.5169.50111.5E21 T22 I23 K28 H29E21-K25 WeakPolarHBondContact O-CG 3.49Å; E21-K25 PolarHBondContact O-N 3.28Å; E21-K25 WeakPolarHBondContact OE1-CE 3.48Å; E21-K25 IonicContact OE1-NZ 2.64Å; E21-K25 PolarHBondContact OE1-NZ 3.4Å; T22-K25 PolarHBondContact O-N 2.9Å; T22-K25 VanDerWaalsContact O-N 3.11Å; I23-K25 VanDerWaalsContact C-N 3.34Å; I23-K25 PolarHBondContact O-N 3Å; K25-K28 PolarHBondContact O-N 2.84Å; K25-H29 PolarHBondContact O-N 3.44Å; K25-H29 PolarHBondContact O-ND1 3.44Å
26E92.8Very high89.9Confident133 Ų133120.6 Ų120.662%0.62158%0.582SS**Hα-helixtrans-63.3-51.5176-72.7174.3-172.700111T22 I23 K28 H29 Q30T22-E26 WeakPolarHBondContact O-CG 3.3Å; T22-E26 PolarHBondContact O-N 2.95Å; I23-E26 PolarHBondContact O-N 3.46Å; E26-K28 VanDerWaalsContact C-N 3.28Å; E26-K28 PolarHBondContact O-N 2.95Å; E26-H29 PolarHBondContact O-N 2.82Å; E26-H29 VanDerWaalsContact O-N 3.09Å; E26-Q30 PolarHBondContact O-N 2.87Å
27L91.7Very high89.2Confident107 Ų107123.6 Ų123.656%0.5660%0.601SS**Hα-helixtrans-60.3-34.8178.7-71.4175.3000112.9I23 H29 Q30I23-L27 HydrophobicContact CG2-CD1 3.76Å; I23-L27 HydrophobicContact CG2-CG 4.24Å; I23-L27 WeakPolarHBondContact O-CB 3.42Å; I23-L27 VanDerWaalsContact O-CG 3.3Å; I23-L27 WeakPolarHBondContact O-CG 3.49Å; I23-L27 PolarHBondContact O-N 3.11Å; L27-H29 VanDerWaalsContact C-N 3.27Å; L27-H29 PolarHBondContact O-N 3.01Å; L27-Q30 PolarHBondContact O-N 3.11Å
28K91.5Very high88.4Confident172 Ų172126.4 Ų126.475%0.74861%0.611SS**Hα-helixtrans-62.3-32.8177-178177.3178.4-177.40112.9K24 K25 E26K24-K28 VanDerWaalsContact O-CB 3.3Å; K24-K28 WeakPolarHBondContact O-CB 3.47Å; K24-K28 PolarHBondContact O-N 3.07Å; K25-K28 PolarHBondContact O-N 2.84Å; E26-K28 VanDerWaalsContact C-N 3.28Å; E26-K28 PolarHBondContact O-N 2.95Å
29H86.9Confident87.6Confident141 Ų141126.3 Ų126.365%0.65361%0.612SS**Hα-helixtrans-102.6-8.9-177.1-57.493.3000113.1K25 E26 L27 K31K25-H29 PolarHBondContact O-N 3.44Å; K25-H29 PolarHBondContact O-ND1 3.44Å; E26-H29 PolarHBondContact O-N 2.82Å; E26-H29 VanDerWaalsContact O-N 3.09Å; L27-H29 VanDerWaalsContact C-N 3.27Å; L27-H29 PolarHBondContact O-N 3.01Å; H29-K31 PolarHBondContact O-N 3.01Å; H29-K31 VanDerWaalsContact O-N 3.13Å
30Q86.2Confident86.8Confident121 Ų121126.3 Ų126.357%0.56562%0.62SS**  trans-70.5106.4176.4-167.2174.93100110.3E26 L27 I32E26-Q30 PolarHBondContact O-N 2.87Å; L27-Q30 PolarHBondContact O-N 3.11Å; Q30-I32 HydrophobicContact CG-CG1 4.25Å
31K84.2Confident86Confident169 Ų169131.4 Ų131.474%0.73564%0.638SS**  trans-93.1106.4170.7-69.8-177.5-179.8179.20109.2H29 F33H29-K31 PolarHBondContact O-N 3.01Å; H29-K31 VanDerWaalsContact O-N 3.13Å; K31-F33 HydrophobicContact CB-CE2 4.03Å; K31-F33 HydrophobicContact CB-CZ 4.12Å; K31-F33 HydrophobicContact CD-CZ 4.35Å
32I83.7Confident84.8Confident127 Ų127133.9 Ų133.965%0.65165%0.648SS**  trans-86.8111.7171.8-57.6174.7000107.4Q30 T34Q30-I32 HydrophobicContact CG-CG1 4.25Å; I32-T34 HydrophobicContact CG2-CG2 4.06Å; I32-T34 PolarHBondContact O-N 3.37Å
33F82.3Confident83.5Confident162 Ų162140.4 Ų140.471%0.71167%0.671SS**  trans-85.8100.4172.3-62.3-79.8000108.7K31K31-F33 HydrophobicContact CB-CE2 4.03Å; K31-F33 HydrophobicContact CB-CZ 4.12Å; K31-F33 HydrophobicContact CD-CZ 4.35Å
34T83.2Confident82.2Confident117 Ų117142.7 Ų142.772%0.71869%0.688SS**  trans-81.2-27.2176.251.10000112.3I32I32-T34 HydrophobicContact CG2-CG2 4.06Å; I32-T34 PolarHBondContact O-N 3.37Å
35E82.6Confident81Confident177 Ų177140.2 Ų140.283%0.82768%0.683SS**  trans-102.5114.8174.9-63.3-172.5-177.400108.9
36Y78Confident80.1Confident208 Ų208143 Ų14382%0.81670%0.695SS**  trans-124.7139.9169.863.2-87.2000108.6
37S78.4Confident79Confident107 Ų107142.9 Ų142.975%0.74871%0.706SS**  trans-128.6147.6170.363.30000108.7N39S37-N39 PolarHBondContact O-N 3.27Å
38I75.5Confident78.3Confident141 Ų141145.1 Ų145.172%0.72372%0.718SS**  trans-69.2126.3173.7-59.6172.2000106.7P40I38-P40 VanDerWaalsContact O-CD 3.28Å; I38-P40 WeakPolarHBondContact O-CD 3.28Å; I38-P40 VanDerWaalsContact O-N 3.09Å
39N75.9Confident77.2Confident78 Ų78143.9 Ų143.942%0.41771%0.709SS.*  trans-56.9116.2176.4179.2-11.3000109.7S37 F41 K42S37-N39 PolarHBondContact O-N 3.27Å; N39-F41 PolarHBondContact O-N 3.41Å; N39-F41 PolarHBondContact OD1-N 3.35Å; N39-K42 CarbonylContact O-C 3.58Å; N39-K42 PolarHBondContact O-N 2.94Å; N39-K42 PolarHBondContact OD1-N 3.23Å
40P78.5Confident76.4Confident111 Ų111144.5 Ų144.572%0.72172%0.716SS**THydrogen-bonded Turntrans-69.2-18.6-175.326.6-32.9000113.2I38I38-P40 VanDerWaalsContact O-CD 3.28Å; I38-P40 WeakPolarHBondContact O-CD 3.28Å; I38-P40 VanDerWaalsContact O-N 3.09Å
41F77.5Confident75.4Confident193 Ų193147 Ų14785%0.84673%0.727SS**THydrogen-bonded Turntrans-99.2-12.6-178.6-55.5-71.8000113.5N39N39-F41 PolarHBondContact O-N 3.41Å; N39-F41 PolarHBondContact OD1-N 3.35Å
42K70.3Confident74.3Confident150 Ų150147.2 Ų147.265%0.65273%0.731SS**  trans-145.8105.6-178.2-151.6176.5-173.7-178.50110.6N39 T44N39-K42 CarbonylContact O-C 3.58Å; N39-K42 PolarHBondContact O-N 2.94Å; N39-K42 PolarHBondContact OD1-N 3.23Å; K42-T44 PolarHBondContact O-N 3.37Å
43K69.4Low73Confident196 Ų196144.6 Ų144.685%0.85273%0.728SS**  trans-71114.9170.9-62.3-171.2-179-177.40108.1
44T67Low71.9Confident120 Ų120144.3 Ų144.374%0.73673%0.734SS**PPolyproline II helixtrans-77.3134.7170.348.10000109.1K42K42-T44 PolarHBondContact O-N 3.37Å
45D70.6Confident71.1Confident103 Ų103143.5 Ų143.555%0.55174%0.739SS**PPolyproline II helixtrans-64.5159.9172.4-90.1-41.3000112R49D45-R49 HydrophobicContact CB-CB 4.39Å; D45-R49 VanDerWaalsContact CG-NH1 3.26Å; D45-R49 WeakPolarHBondContact OD1-CD 3.34Å; D45-R49 IonicContact OD1-CZ 2.66Å; D45-R49 IonicContact OD1-NE 2.99Å; D45-R49 IonicContact OD1-NH1 3.88Å; D45-R49 PolarHBondContact OD1-NH1 3.4Å; D45-R49 WeakPolarHBondContact OD2-CD 3.47Å; D45-R49 IonicContact OD2-CZ 3.58Å; D45-R49 IonicContact OD2-NE 3.84Å; D45-R49 IonicContact OD2-NH1 3.21Å; D45-R49 PolarHBondContact OD2-NH1 2.92Å
46K76.2Confident70.3Confident169 Ų169141.7 Ų141.774%0.73573%0.731SS**PPolyproline II helixtrans-57.6139.3176.3-67.8179.4178.1178.70109.5N48 R49K46-N48 PolarHBondContact O-N 3.17Å; K46-N48 VanDerWaalsContact O-N 3.08Å; K46-R49 HydrophobicContact CB-CB 4.3Å; K46-R49 VanDerWaalsContact O-CB 3.23Å; K46-R49 WeakPolarHBondContact O-CB 3.38Å; K46-R49 PolarHBondContact O-N 3.12Å
47P70.3Confident70.5Confident132 Ų132136.7 Ų136.786%0.85772%0.718SS**THydrogen-bonded Turntrans-60-24.8179.323.5-33.3000113
48N76.2Confident70.9Confident153 Ų153139.5 Ų139.582%0.81872%0.717SS**THydrogen-bonded Turntrans-10012.5176.8-62.7-3.3000113K46 I50K46-N48 PolarHBondContact O-N 3.17Å; K46-N48 VanDerWaalsContact O-N 3.08Å; N48-I50 PolarHBondContact O-N 3.26Å; N48-I50 VanDerWaalsContact O-N 3.16Å
49R68.8Low71.6Confident146 Ų146138.5 Ų138.555%0.55171%0.709SS**  trans-65.8117.8172.8-169.9177-165.6-150.9-2.9106.8D45 K46 Q51D45-R49 HydrophobicContact CB-CB 4.39Å; D45-R49 VanDerWaalsContact CG-NH1 3.26Å; D45-R49 WeakPolarHBondContact OD1-CD 3.34Å; D45-R49 IonicContact OD1-CZ 2.66Å; D45-R49 IonicContact OD1-NE 2.99Å; D45-R49 IonicContact OD1-NH1 3.88Å; D45-R49 PolarHBondContact OD1-NH1 3.4Å; D45-R49 WeakPolarHBondContact OD2-CD 3.47Å; D45-R49 IonicContact OD2-CZ 3.58Å; D45-R49 IonicContact OD2-NE 3.84Å; D45-R49 IonicContact OD2-NH1 3.21Å; D45-R49 PolarHBondContact OD2-NH1 2.92Å; K46-R49 HydrophobicContact CB-CB 4.3Å; K46-R49 VanDerWaalsContact O-CB 3.23Å; K46-R49 WeakPolarHBondContact O-CB 3.38Å; K46-R49 PolarHBondContact O-N 3.12Å; R49-Q51 PolarHBondContact O-N 2.89Å
50I69.7Low72.1Confident155 Ų155140.9 Ų140.980%0.79572%0.715SS**  trans-59.6109.3164.9-60.1169000104.7N48 E52N48-I50 PolarHBondContact O-N 3.26Å; N48-I50 VanDerWaalsContact O-N 3.16Å; I50-E52 PolarHBondContact O-N 3.34Å; I50-E52 VanDerWaalsContact O-N 3.11Å
51Q65.8Low72.6Confident173 Ų173136.7 Ų136.781%0.80869%0.69SS**  trans-63.9114169.4-68.6177.21.500104.8R49 A53R49-Q51 PolarHBondContact O-N 2.89Å; Q51-A53 PolarHBondContact O-N 2.87Å
52E59.7Low73.3Confident174 Ų174133.1 Ų133.181%0.81368%0.676SS**  trans-54.6112.6161.2-63.8-108.9162.900103.8I50 D54I50-E52 PolarHBondContact O-N 3.34Å; I50-E52 VanDerWaalsContact O-N 3.11Å; E52-D54 PolarHBondContact O-N 3.1Å
53A58.1Low74.4Confident71 Ų71129.2 Ų129.259%0.58767%0.665SS**  trans-53.9109.4-179.100000106.5Q51 A55 E56Q51-A53 PolarHBondContact O-N 2.87Å; A53-A55 PolarHBondContact O-N 3.39Å; A53-E56 HydrophobicContact CB-CG 4.46Å
54D59.2Low75.5Confident156 Ų156123.8 Ų123.883%0.83464%0.644SS**  trans-43.9118170.3-72.5-40.8000105.6E52 E56E52-D54 PolarHBondContact O-N 3.1Å; D54-E56 WeakPolarHBondContact O-CA 3.42Å; D54-E56 PolarHBondContact O-N 3.25Å
55A65.6Low76.7Confident100 Ų100124.3 Ų124.383%0.82664%0.638SS**SBendtrans-28.3105.4-16300000110.5A53 D57A53-A55 PolarHBondContact O-N 3.39Å; A55-D57 PolarHBondContact O-N 3.13Å
56E66.5Low77.8Confident140 Ų140127 Ų12765%0.65464%0.641SS**  trans-36.2127.3-164.3-71.1179.4176.400110.3A53 D54 K58A53-E56 HydrophobicContact CB-CG 4.46Å; D54-E56 WeakPolarHBondContact O-CA 3.42Å; D54-E56 PolarHBondContact O-N 3.25Å; E56-K58 PolarHBondContact O-N 3.29Å
57D82.2Confident78.7Confident103 Ų103122.1 Ų122.155%0.55163%0.632SS**  trans-52.7106.5177.5178.44.5000107.7A55 H59 F60 A61A55-D57 PolarHBondContact O-N 3.13Å; D57-H59 PolarHBondContact O-N 2.81Å; D57-H59 VanDerWaalsContact O-N 3.07Å; D57-H59 VanDerWaalsContact OD1-CB 3.31Å; D57-H59 WeakPolarHBondContact OD1-CB 3.4Å; D57-H59 PolarHBondContact OD1-N 3.05Å; D57-H59 VanDerWaalsContact OD1-N 3.1Å; D57-F60 HydrophobicContact CB-CB 3.96Å; D57-F60 WeakPolarHBondContact O-CA 3.23Å; D57-F60 WeakPolarHBondContact O-CB 3.48Å; D57-F60 PolarHBondContact O-N 3.49Å; D57-A61 PolarHBondContact O-N 3.34Å
58K85.8Confident79.8Confident166 Ų166120.3 Ų120.372%0.72262%0.622SS**Hα-helixtrans-55.7-33.7-173.8-67.2-177.7178.6-179.10110.1E56 A61 E62E56-K58 PolarHBondContact O-N 3.29Å; K58-A61 PolarHBondContact O-N 2.74Å; K58-E62 WeakPolarHBondContact O-CB 3.01Å; K58-E62 VanDerWaalsContact O-CG 3.23Å; K58-E62 WeakPolarHBondContact O-CG 2.69Å; K58-E62 PolarHBondContact O-N 2.73Å
59H89.7Confident80.5Confident120 Ų120116.7 Ų116.756%0.55660%0.603SS**Hα-helixtrans-63-45.4175.1-177.659.2000111.8D57 E62 V63D57-H59 PolarHBondContact O-N 2.81Å; D57-H59 VanDerWaalsContact O-N 3.07Å; D57-H59 VanDerWaalsContact OD1-CB 3.31Å; D57-H59 WeakPolarHBondContact OD1-CB 3.4Å; D57-H59 PolarHBondContact OD1-N 3.05Å; D57-H59 VanDerWaalsContact OD1-N 3.1Å; H59-E62 PolarHBondContact O-N 3.4Å; H59-V63 WeakPolarHBondContact O-CB 3.44Å; H59-V63 VanDerWaalsContact O-CG2 3.23Å; H59-V63 WeakPolarHBondContact O-CG2 3.22Å; H59-V63 PolarHBondContact O-N 3.22Å
60F88Confident81.6Confident127 Ų127114.5 Ų114.556%0.55760%0.599SS**Hα-helixtrans-64.9-42.2177.9-170.9-109000112D57 E62 V63 I64D57-F60 HydrophobicContact CB-CB 3.96Å; D57-F60 WeakPolarHBondContact O-CA 3.23Å; D57-F60 WeakPolarHBondContact O-CB 3.48Å; D57-F60 PolarHBondContact O-N 3.49Å; F60-E62 PolarHBondContact O-N 2.95Å; F60-V63 PolarHBondContact O-N 3.25Å; F60-I64 HydrophobicContact CD1-CD1 3.68Å; F60-I64 HydrophobicContact CD1-CG1 4.47Å; F60-I64 HydrophobicContact CE1-CD1 3.21Å; F60-I64 HydrophobicContact CE1-CG1 4.18Å; F60-I64 HydrophobicContact CE2-CD1 4.41Å; F60-I64 HydrophobicContact CG-CD1 4.48Å; F60-I64 HydrophobicContact CZ-CD1 3.63Å; F60-I64 HydrophobicContact CZ-CG1 4.26Å; F60-I64 WeakPolarHBondContact O-CG1 3.31Å; F60-I64 PolarHBondContact O-N 2.83Å
61A88.2Confident82.7Confident23 Ų23109.7 Ų109.719%0.1958%0.577CS.*Hα-helixtrans-60.1-45.3174.300000111.5D57 K58 V63 I64 Q65D57-A61 PolarHBondContact O-N 3.34Å; K58-A61 PolarHBondContact O-N 2.74Å; A61-V63 PolarHBondContact O-N 3.48Å; A61-I64 PolarHBondContact O-N 2.7Å; A61-Q65 WeakPolarHBondContact O-CB 3.37Å; A61-Q65 VanDerWaalsContact O-CG 3.24Å; A61-Q65 WeakPolarHBondContact O-CG 3.5Å; A61-Q65 PolarHBondContact O-N 2.88Å
62E91.9Very high83.9Confident118 Ų118104.2 Ų104.255%0.55156%0.557SS**Hα-helixtrans-61.8-40.6175-75.6170.5-165.400112.3K58 H59 F60 Q65 R66K58-E62 WeakPolarHBondContact O-CB 3.01Å; K58-E62 VanDerWaalsContact O-CG 3.23Å; K58-E62 WeakPolarHBondContact O-CG 2.69Å; K58-E62 PolarHBondContact O-N 2.73Å; H59-E62 PolarHBondContact O-N 3.4Å; F60-E62 PolarHBondContact O-N 2.95Å; E62-Q65 PolarHBondContact O-N 3.08Å; E62-R66 WeakPolarHBondContact O-CB 3.5Å; E62-R66 PolarHBondContact O-N 2.73Å
63V93.1Very high85.4Confident69 Ų69102.1 Ų102.142%0.41855%0.545SS..Hα-helixtrans-63.7-44.4176.9168.50000110.9H59 F60 A61 R66 A67H59-V63 WeakPolarHBondContact O-CB 3.44Å; H59-V63 VanDerWaalsContact O-CG2 3.23Å; H59-V63 WeakPolarHBondContact O-CG2 3.22Å; H59-V63 PolarHBondContact O-N 3.22Å; F60-V63 PolarHBondContact O-N 3.25Å; A61-V63 PolarHBondContact O-N 3.48Å; V63-R66 PolarHBondContact O-N 3.49Å; V63-A67 VanDerWaalsContact O-CB 3.22Å; V63-A67 WeakPolarHBondContact O-CB 3.34Å; V63-A67 PolarHBondContact O-N 3.4Å
64I92.7Very high87Confident82 Ų82101.6 Ų101.642%0.42153%0.529SS..Hα-helixtrans-65.5-44.7176.7-70.3174.6000111F60 A61 A67 S68F60-I64 HydrophobicContact CD1-CD1 3.68Å; F60-I64 HydrophobicContact CD1-CG1 4.47Å; F60-I64 HydrophobicContact CE1-CD1 3.21Å; F60-I64 HydrophobicContact CE1-CG1 4.18Å; F60-I64 HydrophobicContact CE2-CD1 4.41Å; F60-I64 HydrophobicContact CG-CD1 4.48Å; F60-I64 HydrophobicContact CZ-CD1 3.63Å; F60-I64 HydrophobicContact CZ-CG1 4.26Å; F60-I64 WeakPolarHBondContact O-CG1 3.31Å; F60-I64 PolarHBondContact O-N 2.83Å; A61-I64 PolarHBondContact O-N 2.7Å; I64-A67 PolarHBondContact O-N 3.01Å; I64-S68 WeakPolarHBondContact O-CB 3.47Å; I64-S68 PolarHBondContact O-N 3.37Å; I64-S68 PolarHBondContact O-OG 3.22Å
65Q93.1Very high88.7Confident131 Ų13199 Ų9961%0.61251%0.508SS*.Hα-helixtrans-59.8-49.8177.4-76.2178.112.200110.2A61 E62 A67 S68 L69A61-Q65 WeakPolarHBondContact O-CB 3.37Å; A61-Q65 VanDerWaalsContact O-CG 3.24Å; A61-Q65 WeakPolarHBondContact O-CG 3.5Å; A61-Q65 PolarHBondContact O-N 2.88Å; E62-Q65 PolarHBondContact O-N 3.08Å; Q65-A67 VanDerWaalsContact C-N 3.32Å; Q65-A67 PolarHBondContact O-N 3.24Å; Q65-S68 WeakPolarHBondContact O-CB 3.41Å; Q65-S68 PolarHBondContact O-N 3.01Å; Q65-S68 VanDerWaalsContact O-N 3.1Å; Q65-L69 PolarHBondContact O-N 3.23Å
66R93.9Very high90Very high160 Ų160102.3 Ų102.360%0.60451%0.511SS*.Hα-helixtrans-57.5-46.3175-174.4-179.9178.8-158.7-0.9110.5E62 V63 S68 L69 K74E62-R66 WeakPolarHBondContact O-CB 3.5Å; E62-R66 PolarHBondContact O-N 2.73Å; V63-R66 PolarHBondContact O-N 3.49Å; R66-S68 PolarHBondContact O-N 3Å; R66-L69 WeakPolarHBondContact O-CB 3.23Å; R66-L69 PolarHBondContact O-N 3.39Å; R66-L69 VanDerWaalsContact O-N 3.16Å; R66-K74 WeakPolarHBondContact O-CE 3.43Å
67A93.3Very high91.3Very high66 Ų66101.9 Ų101.955%0.54551%0.509SS..Hα-helixtrans-62.9-27.9178.900000113.3V63 I64 Q65 K74V63-A67 VanDerWaalsContact O-CB 3.22Å; V63-A67 WeakPolarHBondContact O-CB 3.34Å; V63-A67 PolarHBondContact O-N 3.4Å; I64-A67 PolarHBondContact O-N 3.01Å; Q65-A67 VanDerWaalsContact C-N 3.32Å; Q65-A67 PolarHBondContact O-N 3.24Å; A67-K74 PolarHBondContact O-NZ 3.14Å
68S93.8Very high92Very high93 Ų9398.8 Ų98.865%0.6549%0.494SS*.Hα-helixtrans-79.6-16176.8-57.40000114I64 Q65 R66I64-S68 WeakPolarHBondContact O-CB 3.47Å; I64-S68 PolarHBondContact O-N 3.37Å; I64-S68 PolarHBondContact O-OG 3.22Å; Q65-S68 WeakPolarHBondContact O-CB 3.41Å; Q65-S68 PolarHBondContact O-N 3.01Å; Q65-S68 VanDerWaalsContact O-N 3.1Å; R66-S68 PolarHBondContact O-N 3Å
69L92.3Very high92.4Very high78 Ų7895.9 Ų95.941%0.40848%0.483SS..SBendtrans-66.4148.5178-64.7174.4000112.1Q65 R66 K73 K74Q65-L69 PolarHBondContact O-N 3.23Å; R66-L69 WeakPolarHBondContact O-CB 3.23Å; R66-L69 PolarHBondContact O-N 3.39Å; R66-L69 VanDerWaalsContact O-N 3.16Å; L69-K73 HydrophobicContact CB-CB 4.31Å; L69-K73 HydrophobicContact CD2-CD 4.39Å; L69-K74 HydrophobicContact CB-CG 4.06Å; L69-K74 WeakPolarHBondContact O-CE 3.44Å; L69-K74 PolarHBondContact O-NZ 3.01Å
70E91.4Very high92.6Very high100 Ų10093.8 Ų93.847%0.46748%0.479SS..  trans-62.3149.7172.9-65.6153.6-125.400111.3P72 K73 K74E70-P72 VanDerWaalsContact C-CD 3.5Å; E70-K73 HydrophobicContact CB-CD 4.42Å; E70-K73 WeakPolarHBondContact O-CB 3.41Å; E70-K73 PolarHBondContact O-N 3.2Å; E70-K73 IonicContact OE1-NZ 2.7Å; E70-K73 PolarHBondContact OE1-NZ 3.06Å; E70-K73 IonicContact OE2-NZ 2.93Å; E70-K74 PolarHBondContact O-N 2.96Å
71P92.4Very high93Very high54 Ų5495.4 Ų95.435%0.35149%0.488SS..Hα-helixtrans-52.6-43.3-179.9-24.432.7000115.2K73 K74 Y75 W87P71-K73 PolarHBondContact O-N 3.11Å; P71-K73 VanDerWaalsContact O-N 3.14Å; P71-K74 PolarHBondContact O-N 3.41Å; P71-Y75 PolarHBondContact O-N 3.07Å; P71-W87 HydrophobicContact CB-CE3 4.41Å; P71-W87 HydrophobicContact CB-CH2 4.19Å; P71-W87 HydrophobicContact CB-CZ3 3.58Å; P71-W87 WeakPolarHBondContact O-CH2 3.49Å
72P91.3Very high93.2Very high57 Ų57101.4 Ų101.437%0.3752%0.517SS..Hα-helixtrans-64.4-17.8178.2-22.835.3000114.3E70 W87E70-P72 VanDerWaalsContact C-CD 3.5Å; P72-W87 HydrophobicContact CB-CZ2 4.39Å; P72-W87 HydrophobicContact CG-CD2 4.33Å; P72-W87 HydrophobicContact CG-CE3 4.32Å; P72-W87 HydrophobicContact CG-CZ3 4.49Å; P72-W87 WeakPolarHBondContact CG-O 3.43Å
73K91.2Very high93.3Very high131 Ų13198.2 Ų98.257%0.5750%0.502SS*.Hα-helixtrans-87.4-17.9174.8-62.2177.4-177.5161.60112.4L69 E70 P71L69-K73 HydrophobicContact CB-CB 4.31Å; L69-K73 HydrophobicContact CD2-CD 4.39Å; E70-K73 HydrophobicContact CB-CD 4.42Å; E70-K73 WeakPolarHBondContact O-CB 3.41Å; E70-K73 PolarHBondContact O-N 3.2Å; E70-K73 IonicContact OE1-NZ 2.7Å; E70-K73 PolarHBondContact OE1-NZ 3.06Å; E70-K73 IonicContact OE2-NZ 2.93Å; P71-K73 PolarHBondContact O-N 3.11Å; P71-K73 VanDerWaalsContact O-N 3.14Å
74K92.4Very high93.3Very high60 Ų60101 Ų10126%0.26151%0.511SS..Hα-helixtrans-96.1-38.6-177.4-72168.6170.31580113.1R66 A67 L69 E70 P71R66-K74 WeakPolarHBondContact O-CE 3.43Å; A67-K74 PolarHBondContact O-NZ 3.14Å; L69-K74 HydrophobicContact CB-CG 4.06Å; L69-K74 WeakPolarHBondContact O-CE 3.44Å; L69-K74 PolarHBondContact O-NZ 3.01Å; E70-K74 PolarHBondContact O-N 2.96Å; P71-K74 PolarHBondContact O-N 3.41Å
75Y93.2Very high93.3Very high100 Ų100108 Ų10839%0.39253%0.533SS..  trans-127.8152.3-174.7-46.7-78.2000109.5P71 E77 Q79 W87P71-Y75 PolarHBondContact O-N 3.07Å; Y75-E77 WeakPolarHBondContact CB-O 3.29Å; Y75-Q79 HydrophobicContact CD1-CG 3.93Å; Y75-Q79 HydrophobicContact CD2-CG 3.82Å; Y75-Q79 HydrophobicContact CE1-CG 4.24Å; Y75-Q79 HydrophobicContact CE2-CG 4.13Å; Y75-Q79 HydrophobicContact CG-CG 3.71Å; Y75-W87 VanDerWaalsContact O-CZ2 3.29Å; Y75-W87 WeakPolarHBondContact O-CZ2 3.38Å
76I93.8Very high93.1Very high170 Ų170104 Ų10487%0.87253%0.527SS*.SBendtrans-75.6-34.1178.2-64166.7000110.2
77E94.2Very high93.2Very high132 Ų13298.5 Ų98.562%0.61751%0.507SS*.SBendtrans-131.2153.1-176.365.5-170.8174.700110.8Y75 Q79 W87Y75-E77 WeakPolarHBondContact CB-O 3.29Å; E77-Q79 PolarHBondContact O-N 3.44Å; E77-Q79 PolarHBondContact O-NE2 2.91Å; E77-W87 WeakPolarHBondContact O-CH2 3.47Å
78P95.5Very high93.1Very high38 Ų38102.2 Ų102.225%0.24752%0.516CS..  trans-59.6132.7175.524-31.4000110.3Q83 E84 W87P78-Q83 HydrophobicContact CB-CB 3.69Å; P78-E84 HydrophobicContact CB-CG 3.97Å; P78-E84 HydrophobicContact CG-CG 3.67Å; P78-W87 HydrophobicContact CB-CD2 3.95Å; P78-W87 HydrophobicContact CB-CE3 3.7Å; P78-W87 HydrophobicContact CB-CG 4.42Å; P78-W87 HydrophobicContact CB-CZ3 4.12Å; P78-W87 HydrophobicContact CG-CD2 4.26Å; P78-W87 HydrophobicContact CG-CE3 4.49Å; P78-W87 HydrophobicContact CG-CG 4.36Å
79Q94.6Very high92.8Very high105 Ų105102.3 Ų102.349%0.49152%0.516SS..SBendtrans-86.9-16.2-178.3-59.3-60.4-72.300112.5Y75 E77Y75-Q79 HydrophobicContact CD1-CG 3.93Å; Y75-Q79 HydrophobicContact CD2-CG 3.82Å; Y75-Q79 HydrophobicContact CE1-CG 4.24Å; Y75-Q79 HydrophobicContact CE2-CG 4.13Å; Y75-Q79 HydrophobicContact CG-CG 3.71Å; E77-Q79 PolarHBondContact O-N 3.44Å; E77-Q79 PolarHBondContact O-NE2 2.91Å
80T94.1Very high92.7Very high75 Ų75106.1 Ų106.146%0.4653%0.532SS..SBendtrans-140.4153.4178.164.20000110.3N82 Q83T80-N82 PolarHBondContact O-N 3.28Å; T80-Q83 WeakPolarHBondContact O-CB 3.21Å; T80-Q83 PolarHBondContact O-N 2.76Å; T80-Q83 WeakPolarHBondContact OG1-CG 3.23Å
81E95.5Very high92.6Very high161 Ų161105.6 Ų105.675%0.75254%0.537SS*.Hα-helixtrans-53.8-37.7177.8-63.7178.3175.300111.8Q83 E84E81-Q83 PolarHBondContact O-N 3.47Å; E81-E84 WeakPolarHBondContact O-CB 3.38Å; E81-E84 PolarHBondContact O-N 3.16Å; E81-E84 VanDerWaalsContact O-N 3.12Å
82N93Very high92.5Very high149 Ų149111.6 Ų111.680%0.79757%0.565SS**Hα-helixtrans-64.6-26177.6-70.1-1.1000113.5T80T80-N82 PolarHBondContact O-N 3.28Å
83Q94Very high92.4Very high52 Ų52115.9 Ų115.924%0.24358%0.582CS.*Hα-helixtrans-76.2-24.6176.5-72.6178.9-8.900112.2P78 T80 E81 Y85 G86 W87P78-Q83 HydrophobicContact CB-CB 3.69Å; T80-Q83 WeakPolarHBondContact O-CB 3.21Å; T80-Q83 PolarHBondContact O-N 2.76Å; T80-Q83 WeakPolarHBondContact OG1-CG 3.23Å; E81-Q83 PolarHBondContact O-N 3.47Å; Q83-Y85 VanDerWaalsContact C-N 3.32Å; Q83-Y85 PolarHBondContact O-N 2.86Å; Q83-G86 PolarHBondContact O-N 3.3Å; Q83-W87 HydrophobicContact CB-CE3 4.11Å; Q83-W87 HydrophobicContact CB-CZ3 4.31Å; Q83-W87 WeakPolarHBondContact O-CB 3.5Å; Q83-W87 PolarHBondContact O-N 3.1Å
84E93.7Very high92.2Very high127 Ų127118.7 Ų118.759%0.59360%0.597SS**Hα-helixtrans-59.2-43.3-179.3-63.1-174.6178.300111.8P78 E81 G86 W87P78-E84 HydrophobicContact CB-CG 3.97Å; P78-E84 HydrophobicContact CG-CG 3.67Å; E81-E84 WeakPolarHBondContact O-CB 3.38Å; E81-E84 PolarHBondContact O-N 3.16Å; E81-E84 VanDerWaalsContact O-N 3.12Å; E84-G86 PolarHBondContact O-N 2.9Å; E84-G86 VanDerWaalsContact O-N 3.13Å; E84-W87 PolarHBondContact O-N 2.8Å
85Y91.6Very high92Very high228 Ų228121.4 Ų121.489%0.89461%0.613SS**THydrogen-bonded Turntrans-59.5-28.1-177.3-175.5-99.8000113.7Q83Q83-Y85 VanDerWaalsContact C-N 3.32Å; Q83-Y85 PolarHBondContact O-N 2.86Å
86G90.5Very high91.9Very high47 Ų47120.7 Ų120.749%0.48562%0.617SS.*THydrogen-bonded Turntrans-116.28.5-178.300000114.6Q83 E84 I88Q83-G86 PolarHBondContact O-N 3.3Å; E84-G86 PolarHBondContact O-N 2.9Å; E84-G86 VanDerWaalsContact O-N 3.13Å; G86-I88 PolarHBondContact O-N 3.43Å
87W94.4Very high91.7Very high46 Ų46121.4 Ų121.417%0.17461%0.608CS.*SBendtrans-64.7-41.4-172.5-161.6-107.9000112.2P71 P72 Y75 E77 P78 Q83 E84P71-W87 HydrophobicContact CB-CE3 4.41Å; P71-W87 HydrophobicContact CB-CH2 4.19Å; P71-W87 HydrophobicContact CB-CZ3 3.58Å; P71-W87 WeakPolarHBondContact O-CH2 3.49Å; P72-W87 HydrophobicContact CB-CZ2 4.39Å; P72-W87 HydrophobicContact CG-CD2 4.33Å; P72-W87 HydrophobicContact CG-CE3 4.32Å; P72-W87 HydrophobicContact CG-CZ3 4.49Å; P72-W87 WeakPolarHBondContact CG-O 3.43Å; Y75-W87 VanDerWaalsContact O-CZ2 3.29Å; Y75-W87 WeakPolarHBondContact O-CZ2 3.38Å; E77-W87 WeakPolarHBondContact O-CH2 3.47Å; P78-W87 HydrophobicContact CB-CD2 3.95Å; P78-W87 HydrophobicContact CB-CE3 3.7Å; P78-W87 HydrophobicContact CB-CG 4.42Å; P78-W87 HydrophobicContact CB-CZ3 4.12Å; P78-W87 HydrophobicContact CG-CD2 4.26Å; P78-W87 HydrophobicContact CG-CE3 4.49Å; P78-W87 HydrophobicContact CG-CG 4.36Å; Q83-W87 HydrophobicContact CB-CE3 4.11Å; Q83-W87 HydrophobicContact CB-CZ3 4.31Å; Q83-W87 WeakPolarHBondContact O-CB 3.5Å; Q83-W87 PolarHBondContact O-N 3.1Å; E84-W87 PolarHBondContact O-N 2.8Å
88I91.7Very high91.6Very high144 Ų144120.7 Ų120.774%0.73861%0.613SS**  trans-101.491.6175.8-55.5174.1000107.7G86G86-I88 PolarHBondContact O-N 3.43Å
89S88.4Confident91.5Very high94 Ų94119.8 Ų119.866%0.65761%0.606SS**  trans-81.4-19.5-17860.50000113.8
90Q89.9Confident91.2Very high159 Ų159119.5 Ų119.574%0.74361%0.613SS**SBendtrans-78.4129.7178.9-66.3-179.4-5.200109.9
91P90Very high91.1Very high89 Ų89124.6 Ų124.658%0.57862%0.624SS**  trans-67.1147.9178.330.9-35.4000110.2M93P91-M93 WeakPolarHBondContact CB-O 3.24Å; P91-M93 PolarHBondContact O-N 2.88Å
92L89.6Confident90.8Very high179 Ų179124.1 Ų124.194%0.93762%0.62SS**SBendtrans-61-30.4176.8-178.162.7000112.6
93M88.4Confident90.8Very high148 Ų148121.3 Ų121.373%0.72960%0.599SS**SBendtrans-127.5129.1174.4-63.3-172-59.300108.7P91 I95P91-M93 WeakPolarHBondContact CB-O 3.24Å; P91-M93 PolarHBondContact O-N 2.88Å; M93-I95 PolarHBondContact O-N 2.97Å
94E88.5Confident90.7Very high189 Ų189125.7 Ų125.788%0.88362%0.619SS**  trans-66.6121.9170.9-65.5-173.1177.700109.2
95I87.3Confident90.7Very high117 Ų117122.6 Ų122.660%0.661%0.61SS**  trans-91.3111176.2-57.1175.7000107.5M93 R97M93-I95 PolarHBondContact O-N 2.97Å; I95-R97 PolarHBondContact O-N 3.24Å; I95-R97 VanDerWaalsContact O-N 3.1Å
96D90.6Very high90.8Very high86 Ų86122 Ų12246%0.4661%0.612SS.*  trans-67.9106.8168.6-175.72.5000109.6T98 D99D96-T98 VanDerWaalsContact CG-OG1 3.22Å; D96-T98 PolarHBondContact O-N 2.9Å; D96-T98 WeakPolarHBondContact OD1-CA 3.42Å; D96-T98 WeakPolarHBondContact OD1-CB 3.31Å; D96-T98 PolarHBondContact OD1-N 2.98Å; D96-T98 PolarHBondContact OD1-OG1 2.96Å; D96-T98 PolarHBondContact OD2-OG1 2.84Å; D96-T98 VanDerWaalsContact OD2-OG1 3.09Å; D96-D99 HydrophobicContact CB-CB 4.29Å; D96-D99 PolarHBondContact O-N 3.11Å
97R91.1Very high90.9Very high184 Ų184125.7 Ų125.769%0.69463%0.625SS**THydrogen-bonded Turntrans-74.2-6.6178-63.5-175.3177.6-178.3-1.3113I95 Y103I95-R97 PolarHBondContact O-N 3.24Å; I95-R97 VanDerWaalsContact O-N 3.1Å; R97-Y103 HydrophobicContact CB-CD1 4.09Å; R97-Y103 HydrophobicContact CB-CD2 4.31Å; R97-Y103 HydrophobicContact CB-CE1 4.08Å; R97-Y103 HydrophobicContact CB-CE2 4.32Å; R97-Y103 HydrophobicContact CB-CG 4.2Å; R97-Y103 HydrophobicContact CG-CD2 4.09Å; R97-Y103 HydrophobicContact CG-CE2 3.94Å; R97-Y103 HydrophobicContact CG-CG 4.47Å; R97-Y103 WeakPolarHBondContact O-CD1 3Å
98T92.4Very high90.9Very high118 Ų118126.1 Ų126.172%0.72464%0.638SS**THydrogen-bonded Turntrans-89.7-21.117673.40000112.4D96 P100D96-T98 VanDerWaalsContact CG-OG1 3.22Å; D96-T98 PolarHBondContact O-N 2.9Å; D96-T98 WeakPolarHBondContact OD1-CA 3.42Å; D96-T98 WeakPolarHBondContact OD1-CB 3.31Å; D96-T98 PolarHBondContact OD1-N 2.98Å; D96-T98 PolarHBondContact OD1-OG1 2.96Å; D96-T98 PolarHBondContact OD2-OG1 2.84Å; D96-T98 VanDerWaalsContact OD2-OG1 3.09Å; T98-P100 VanDerWaalsContact O-CD 3.22Å; T98-P100 WeakPolarHBondContact O-CD 3.32Å
99D92Very high91.1Very high19 Ų19122.8 Ų122.810%0.10263%0.627CS.*  trans-81.3109179.9-169.7-14.2000111.3D96 R101 F102 Y103D96-D99 HydrophobicContact CB-CB 4.29Å; D96-D99 PolarHBondContact O-N 3.11Å; D99-R101 PolarHBondContact O-N 3.16Å; D99-R101 VanDerWaalsContact O-N 3.11Å; D99-R101 WeakPolarHBondContact OD1-CB 3.46Å; D99-R101 VanDerWaalsContact OD1-CG 3.25Å; D99-R101 WeakPolarHBondContact OD1-CG 3.45Å; D99-R101 IonicContact OD1-CZ 3.73Å; D99-R101 PolarHBondContact OD1-N 2.97Å; D99-R101 IonicContact OD1-NE 2.69Å; D99-R101 PolarHBondContact OD1-NE 3.11Å; D99-R101 IonicContact OD1-NH2 3.78Å; D99-R101 IonicContact OD2-CZ 3.22Å; D99-R101 IonicContact OD2-NE 2.78Å; D99-R101 PolarHBondContact OD2-NE 3.43Å; D99-R101 IonicContact OD2-NH2 2.73Å; D99-R101 PolarHBondContact OD2-NH2 2.97Å; D99-F102 HydrophobicContact CB-CD2 4.37Å; D99-F102 PolarHBondContact O-N 3.35Å; D99-F102 VanDerWaalsContact OD2-CD2 3.32Å; D99-F102 WeakPolarHBondContact OD2-CD2 3.46Å; D99-F102 WeakPolarHBondContact OD2-CE2 3.37Å; D99-Y103 WeakPolarHBondContact O-CB 3.37Å; D99-Y103 PolarHBondContact O-N 3.14Å
100P89.5Confident91.5Very high98 Ų98126.4 Ų126.464%0.63663%0.633SS**THydrogen-bonded Turntrans-67.4-13-179.330.5-36.4000112.8T98 F102 H104T98-P100 VanDerWaalsContact O-CD 3.22Å; T98-P100 WeakPolarHBondContact O-CD 3.32Å; P100-F102 VanDerWaalsContact C-N 3.31Å; P100-H104 PolarHBondContact O-CE1 3.26Å; P100-H104 PolarHBondContact O-NE2 2.78Å; P100-H104 VanDerWaalsContact O-NE2 3.14Å
101R91Very high91.8Very high182 Ų182124.6 Ų124.669%0.68763%0.626SS**THydrogen-bonded Turntrans-72-27.7177.5-59.6174.6-66.7178.61.1112.3D99 H104D99-R101 PolarHBondContact O-N 3.16Å; D99-R101 VanDerWaalsContact O-N 3.11Å; D99-R101 WeakPolarHBondContact OD1-CB 3.46Å; D99-R101 VanDerWaalsContact OD1-CG 3.25Å; D99-R101 WeakPolarHBondContact OD1-CG 3.45Å; D99-R101 IonicContact OD1-CZ 3.73Å; D99-R101 PolarHBondContact OD1-N 2.97Å; D99-R101 IonicContact OD1-NE 2.69Å; D99-R101 PolarHBondContact OD1-NE 3.11Å; D99-R101 IonicContact OD1-NH2 3.78Å; D99-R101 IonicContact OD2-CZ 3.22Å; D99-R101 IonicContact OD2-NE 2.78Å; D99-R101 PolarHBondContact OD2-NE 3.43Å; D99-R101 IonicContact OD2-NH2 2.73Å; D99-R101 PolarHBondContact OD2-NH2 2.97Å; R101-H104 PolarHBondContact O-CE1 2.97Å; R101-H104 VanDerWaalsContact O-CE1 3.28Å
102F89.2Confident92.1Very high152 Ų152123.8 Ų123.867%0.66762%0.62SS**THydrogen-bonded Turntrans-117.5-21.9-176.4-58.4-66.5000112.7D99 P100D99-F102 HydrophobicContact CB-CD2 4.37Å; D99-F102 PolarHBondContact O-N 3.35Å; D99-F102 VanDerWaalsContact OD2-CD2 3.32Å; D99-F102 WeakPolarHBondContact OD2-CD2 3.46Å; D99-F102 WeakPolarHBondContact OD2-CE2 3.37Å; P100-F102 VanDerWaalsContact C-N 3.31Å
103Y92.2Very high92.5Very high89 Ų89120.6 Ų120.635%0.34960%0.6SS.*  trans-109.3106.3-176.7-172.3-115.1000112.8R97 D99 P105R97-Y103 HydrophobicContact CB-CD1 4.09Å; R97-Y103 HydrophobicContact CB-CD2 4.31Å; R97-Y103 HydrophobicContact CB-CE1 4.08Å; R97-Y103 HydrophobicContact CB-CE2 4.32Å; R97-Y103 HydrophobicContact CB-CG 4.2Å; R97-Y103 HydrophobicContact CG-CD2 4.09Å; R97-Y103 HydrophobicContact CG-CE2 3.94Å; R97-Y103 HydrophobicContact CG-CG 4.47Å; R97-Y103 WeakPolarHBondContact O-CD1 3Å; D99-Y103 WeakPolarHBondContact O-CB 3.37Å; D99-Y103 PolarHBondContact O-N 3.14Å; Y103-P105 HydrophobicContact CD1-CG 4.04Å; Y103-P105 HydrophobicContact CE1-CB 4.15Å; Y103-P105 HydrophobicContact CE1-CG 3.52Å; Y103-P105 WeakPolarHBondContact O-CD 3.37Å
104H92.6Very high92.9Very high145 Ų145119.6 Ų119.667%0.67159%0.592SS**  trans-123.469-178.1-55.489.8000111.7P100 R101P100-H104 PolarHBondContact O-CE1 3.26Å; P100-H104 PolarHBondContact O-NE2 2.78Å; P100-H104 VanDerWaalsContact O-NE2 3.14Å; R101-H104 PolarHBondContact O-CE1 2.97Å; R101-H104 VanDerWaalsContact O-CE1 3.28Å
105P94.2Very high93.3Very high61 Ų61115.4 Ų115.440%0.39657%0.573SS.*  trans-65.6155.2178.130.8-36.4000110.6Y103 V107Y103-P105 HydrophobicContact CD1-CG 4.04Å; Y103-P105 HydrophobicContact CE1-CB 4.15Å; Y103-P105 HydrophobicContact CE1-CG 3.52Å; Y103-P105 WeakPolarHBondContact O-CD 3.37Å; P105-V107 HydrophobicContact CG-CG2 4.15Å; P105-V107 PolarHBondContact O-N 2.69Å
106K92.9Very high93.8Very high216 Ų216113.5 Ų113.594%0.93957%0.565SS**  trans-69.2116.6167.7-62.8-61.2-174.5-177.60108.3
107V92.8Very high94.1Very high124 Ų124112.1 Ų112.175%0.75257%0.565SS**  trans-111131.9177.2-1760000108.6P105P105-V107 HydrophobicContact CG-CG2 4.15Å; P105-V107 PolarHBondContact O-N 2.69Å
108A95.1Very high94.3Very high56 Ų56109 Ų10946%0.46355%0.554SS.*  trans-80.4120175.700000110T112 Q113A108-T112 VanDerWaalsContact CA-OG1 3.29Å; A108-T112 WeakPolarHBondContact CA-OG1 3.35Å; A108-Q113 HydrophobicContact CB-CG 3.76Å; A108-Q113 PolarHBondContact O-NE2 3.04Å; A108-Q113 VanDerWaalsContact O-NE2 3.08Å
109C95.3Very high94.5Very high73 Ų73110.8 Ų110.849%0.49355%0.548SS..  trans-82.2166.6167.170.50000111.1M111 T112 Q113C109-M111 PolarHBondContact O-N 3.41Å; C109-M111 VanDerWaalsContact O-N 3.17Å; C109-T112 PolarHBondContact N-OG1 3.42Å; C109-T112 PolarHBondContact O-N 3.41Å; C109-T112 PolarHBondContact O-OG1 3.02Å; C109-Q113 WeakPolarHBondContact O-CG 3.02Å; C109-Q113 PolarHBondContact O-N 2.85Å
110E97.3Very high94.6Very high171 Ų171114.8 Ų114.880%0.79956%0.564SS**Hα-helixtrans-50.3-43.3-179.7-63177.9174.300112.6T112 Q113 F114E110-T112 PolarHBondContact O-N 3.37Å; E110-Q113 PolarHBondContact O-N 3.22Å; E110-F114 WeakPolarHBondContact O-CB 3.47Å; E110-F114 PolarHBondContact O-N 3.25Å
111M96.5Very high94.9Very high121 Ų121114.4 Ų114.460%0.59656%0.556SS**Hα-helixtrans-62.3-44.5178-171.162.369.300112C109 F114 M115C109-M111 PolarHBondContact O-N 3.41Å; C109-M111 VanDerWaalsContact O-N 3.17Å; M111-F114 PolarHBondContact O-N 2.98Å; M111-M115 WeakPolarHBondContact O-CB 3.45Å; M111-M115 WeakPolarHBondContact O-CG 3.48Å; M111-M115 PolarHBondContact O-N 2.89Å; M111-M115 HydrophobicContact SD-CE 4.28Å
112T96.4Very high95.1Very high71 Ų71107.7 Ų107.744%0.43653%0.534SS..Hα-helixtrans-67.8-36.2178.354.10000112.3A108 C109 E110 M115 D116A108-T112 VanDerWaalsContact CA-OG1 3.29Å; A108-T112 WeakPolarHBondContact CA-OG1 3.35Å; C109-T112 PolarHBondContact N-OG1 3.42Å; C109-T112 PolarHBondContact O-N 3.41Å; C109-T112 PolarHBondContact O-OG1 3.02Å; E110-T112 PolarHBondContact O-N 3.37Å; T112-M115 PolarHBondContact O-N 3.06Å; T112-D116 WeakPolarHBondContact O-CB 3.42Å; T112-D116 PolarHBondContact O-N 3.38Å
113Q97.3Very high95.3Very high112 Ų112103.3 Ų103.352%0.52352%0.515SS..Hα-helixtrans-67.2-43.1175.6-65.1177.529.500111.2A108 C109 E110 D116 A117A108-Q113 HydrophobicContact CB-CG 3.76Å; A108-Q113 PolarHBondContact O-NE2 3.04Å; A108-Q113 VanDerWaalsContact O-NE2 3.08Å; C109-Q113 WeakPolarHBondContact O-CG 3.02Å; C109-Q113 PolarHBondContact O-N 2.85Å; E110-Q113 PolarHBondContact O-N 3.22Å; Q113-D116 PolarHBondContact O-N 3.42Å; Q113-A117 PolarHBondContact O-N 3.49Å
114F97.1Very high95.3Very high127 Ų127104.5 Ų104.556%0.55752%0.524SS*.Hα-helixtrans-60-47.6174.9175.2-95.4000111.5E110 M111 D116 A117 Y118E110-F114 WeakPolarHBondContact O-CB 3.47Å; E110-F114 PolarHBondContact O-N 3.25Å; M111-F114 PolarHBondContact O-N 2.98Å; F114-D116 PolarHBondContact O-N 2.87Å; F114-A117 PolarHBondContact O-N 2.95Å; F114-Y118 WeakPolarHBondContact O-CB 3.29Å; F114-Y118 PolarHBondContact O-N 3.02Å
115M97.1Very high95.3Very high101 Ų101105.5 Ų105.550%0.49852%0.522SS..Hα-helixtrans-65.3-36.6179.3-72-62.8-178.300112.6M111 T112 Y118 W119M111-M115 WeakPolarHBondContact O-CB 3.45Å; M111-M115 WeakPolarHBondContact O-CG 3.48Å; M111-M115 PolarHBondContact O-N 2.89Å; M111-M115 HydrophobicContact SD-CE 4.28Å; T112-M115 PolarHBondContact O-N 3.06Å; M115-Y118 PolarHBondContact O-N 3.47Å; M115-W119 WeakPolarHBondContact O-CB 3.43Å; M115-W119 PolarHBondContact O-N 3.3Å
116D96.6Very high95.2Very high78 Ų78108.7 Ų108.742%0.41753%0.53SS..Hα-helixtrans-61.8-45.6172.8-179.650000111.6T112 Q113 F114 W119 K120T112-D116 WeakPolarHBondContact O-CB 3.42Å; T112-D116 PolarHBondContact O-N 3.38Å; Q113-D116 PolarHBondContact O-N 3.42Å; F114-D116 PolarHBondContact O-N 2.87Å; D116-W119 PolarHBondContact O-N 3.32Å; D116-K120 WeakPolarHBondContact O-CG 3.49Å; D116-K120 PolarHBondContact O-N 2.95Å; D116-K120 WeakPolarHBondContact OD1-CE 3.32Å; D116-K120 IonicContact OD1-NZ 3.71Å; D116-K120 WeakPolarHBondContact OD2-CE 3.2Å; D116-K120 IonicContact OD2-NZ 3.98Å; D116-K120 PolarHBondContact OD2-NZ 3Å
117A96.6Very high95Very high56 Ų56105.3 Ų105.346%0.46352%0.521SS..Hα-helixtrans-63.7-42.7175.600000112.4Q113 F114 K120 L121Q113-A117 PolarHBondContact O-N 3.49Å; F114-A117 PolarHBondContact O-N 2.95Å; A117-K120 PolarHBondContact O-N 3.38Å; A117-L121 PolarHBondContact O-N 3.22Å
118Y96.8Very high94.6Very high119 Ų119106.2 Ų106.247%0.46752%0.522SS..Hα-helixtrans-61.8-44176.8178.2-101.5000111.8F114 M115 L121 N122F114-Y118 WeakPolarHBondContact O-CB 3.29Å; F114-Y118 PolarHBondContact O-N 3.02Å; M115-Y118 PolarHBondContact O-N 3.47Å; Y118-L121 PolarHBondContact O-N 2.85Å; Y118-N122 WeakPolarHBondContact CE1-ND2 3.33Å; Y118-N122 PolarHBondContact O-N 3.27Å; Y118-N122 PolarHBondContact OH-ND2 2.7Å
119W95.7Very high93.7Very high156 Ų156110.5 Ų110.559%0.59155%0.548SS*.Hα-helixtrans-62.6-46.9177.2-176.982.8000111.6M115 D116 L121 N122 E123M115-W119 WeakPolarHBondContact O-CB 3.43Å; M115-W119 PolarHBondContact O-N 3.3Å; D116-W119 PolarHBondContact O-N 3.32Å; W119-L121 VanDerWaalsContact C-N 3.32Å; W119-L121 PolarHBondContact O-N 3.1Å; W119-N122 PolarHBondContact O-N 3.28Å; W119-N122 VanDerWaalsContact O-N 3.14Å; W119-E123 HydrophobicContact CD2-CG 3.99Å; W119-E123 HydrophobicContact CE3-CG 4.34Å; W119-E123 HydrophobicContact CH2-CG 4Å; W119-E123 HydrophobicContact CZ2-CG 3.62Å; W119-E123 HydrophobicContact CZ3-CG 4.34Å; W119-E123 PolarHBondContact O-N 3.08Å
120K95.2Very high93.6Very high103 Ų103112.4 Ų112.445%0.44855%0.551SS.*Hα-helixtrans-56-44.2175.7-75.3168.9178.5162.70112.4D116 A117 Q124D116-K120 WeakPolarHBondContact O-CG 3.49Å; D116-K120 PolarHBondContact O-N 2.95Å; D116-K120 WeakPolarHBondContact OD1-CE 3.32Å; D116-K120 IonicContact OD1-NZ 3.71Å; D116-K120 WeakPolarHBondContact OD2-CE 3.2Å; D116-K120 IonicContact OD2-NZ 3.98Å; D116-K120 PolarHBondContact OD2-NZ 3Å; A117-K120 PolarHBondContact O-N 3.38Å; K120-Q124 VanDerWaalsContact O-CG 3.31Å; K120-Q124 WeakPolarHBondContact O-CG 3.39Å; K120-Q124 PolarHBondContact O-N 3.22Å; K120-Q124 VanDerWaalsContact O-N 3.11Å
121L95.5Very high93.4Very high90 Ų90109.3 Ų109.347%0.47154%0.538SS..Hα-helixtrans-63.8-43177.1-179.665.3000111.8A117 Y118 W119 Q124 R125A117-L121 PolarHBondContact O-N 3.22Å; Y118-L121 PolarHBondContact O-N 2.85Å; W119-L121 VanDerWaalsContact C-N 3.32Å; W119-L121 PolarHBondContact O-N 3.1Å; L121-Q124 PolarHBondContact O-N 3.41Å; L121-R125 WeakPolarHBondContact O-CG 3.4Å; L121-R125 PolarHBondContact O-N 3.09Å
122N94.7Very high93.3Very high40 Ų40108.6 Ų108.621%0.21454%0.535CS..Hα-helixtrans-65.3-41.3179.5-82.6-12.4000112.7Y118 W119 R125 K126Y118-N122 WeakPolarHBondContact CE1-ND2 3.33Å; Y118-N122 PolarHBondContact O-N 3.27Å; Y118-N122 PolarHBondContact OH-ND2 2.7Å; W119-N122 PolarHBondContact O-N 3.28Å; W119-N122 VanDerWaalsContact O-N 3.14Å; N122-R125 PolarHBondContact O-N 3.32Å; N122-K126 WeakPolarHBondContact O-CG 3.25Å; N122-K126 PolarHBondContact O-N 3.14Å
123E94.2Very high93.1Very high60 Ų60110.8 Ų110.828%0.2854%0.541SS..Hα-helixtrans-65.8-40.9176.4-67.6-56.1118.100111.6W119 R125 K126 L127W119-E123 HydrophobicContact CD2-CG 3.99Å; W119-E123 HydrophobicContact CE3-CG 4.34Å; W119-E123 HydrophobicContact CH2-CG 4Å; W119-E123 HydrophobicContact CZ2-CG 3.62Å; W119-E123 HydrophobicContact CZ3-CG 4.34Å; W119-E123 PolarHBondContact O-N 3.08Å; E123-R125 VanDerWaalsContact C-N 3.3Å; E123-R125 PolarHBondContact O-N 3.48Å; E123-K126 PolarHBondContact O-N 2.97Å; E123-K126 IonicContact OE1-NZ 3.69Å; E123-K126 PolarHBondContact OE1-NZ 2.66Å; E123-L127 WeakPolarHBondContact O-CG 3.49Å; E123-L127 PolarHBondContact O-N 3.17Å
124Q92.5Very high92.8Very high114 Ų114110.8 Ų110.853%0.53354%0.542SS..Hα-helixtrans-60-40.5172.1-72.6175.14.200112.1K120 L121 L127 N128K120-Q124 VanDerWaalsContact O-CG 3.31Å; K120-Q124 WeakPolarHBondContact O-CG 3.39Å; K120-Q124 PolarHBondContact O-N 3.22Å; K120-Q124 VanDerWaalsContact O-N 3.11Å; L121-Q124 PolarHBondContact O-N 3.41Å; Q124-L127 PolarHBondContact O-N 2.99Å; Q124-N128 WeakPolarHBondContact O-CB 3.22Å; Q124-N128 VanDerWaalsContact O-CG 3.24Å; Q124-N128 PolarHBondContact O-N 2.93Å; Q124-N128 VanDerWaalsContact O-N 3.11Å; Q124-N128 PolarHBondContact O-ND2 2.92Å
125R91.3Very high92.5Very high167 Ų167109.7 Ų109.763%0.6354%0.541SS*.Hα-helixtrans-63.8-40.5176.2-74.6176.370.2176.24112.5L121 N122 E123 N128 S129L121-R125 WeakPolarHBondContact O-CG 3.4Å; L121-R125 PolarHBondContact O-N 3.09Å; N122-R125 PolarHBondContact O-N 3.32Å; E123-R125 VanDerWaalsContact C-N 3.3Å; E123-R125 PolarHBondContact O-N 3.48Å; R125-N128 PolarHBondContact O-N 2.84Å; R125-S129 PolarHBondContact O-N 2.65Å
126K91.5Very high92.2Very high127 Ų127110.3 Ų110.355%0.55254%0.544SS*.Hα-helixtrans-66.7-35.3176.1-70.8175-173.8167.90112.9N122 E123 N128 S129N122-K126 WeakPolarHBondContact O-CG 3.25Å; N122-K126 PolarHBondContact O-N 3.14Å; E123-K126 PolarHBondContact O-N 2.97Å; E123-K126 IonicContact OE1-NZ 3.69Å; E123-K126 PolarHBondContact OE1-NZ 2.66Å; K126-N128 VanDerWaalsContact C-N 3.32Å; K126-S129 PolarHBondContact O-OG 3.11Å
127L90.1Very high91.9Very high145 Ų145112.8 Ų112.876%0.75955%0.553SS**Hα-helixtrans-72.1-28.2176.9-71.6170.7000112.6E123 Q124E123-L127 WeakPolarHBondContact O-CG 3.49Å; E123-L127 PolarHBondContact O-N 3.17Å; Q124-L127 PolarHBondContact O-N 2.99Å
128N84.5Confident91.5Very high143 Ų143117.5 Ų117.577%0.76556%0.561SS**  trans-90.8-4.5-179.7-68.4-24.1000114Q124 R125 K126Q124-N128 WeakPolarHBondContact O-CB 3.22Å; Q124-N128 VanDerWaalsContact O-CG 3.24Å; Q124-N128 PolarHBondContact O-N 2.93Å; Q124-N128 VanDerWaalsContact O-N 3.11Å; Q124-N128 PolarHBondContact O-ND2 2.92Å; R125-N128 PolarHBondContact O-N 2.84Å; K126-N128 VanDerWaalsContact C-N 3.32Å
129S75.6Confident91Very high146 Ų146117.4 Ų117.4100%1.02157%0.569SS**  trans-97.90176.665.20000111.6R125 K126R125-S129 PolarHBondContact O-N 2.65Å; K126-S129 PolarHBondContact O-OG 3.11Å

Retrieved 129 of 129 residues in 26.5 ms (Link to these results)