A0A087Y8S7_POEFO Loading...

RPA interacting protein

AlphaFold DB , UniProt , Accession A0A087Y8S7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 227 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
1M55.2Low64.4Low198 Ų198129.8 Ų129.898%0.97563%0.634SS**  0125.30-71.8-160.9-152.900108.4R6M1-R6 PolarHBondContact O-NH2 3.44Å
2D72.1Confident64.1Low101 Ų101130.8 Ų130.854%0.5463%0.632SS.*  trans-65.2149.9-172.7-164.710.8000111.7L4 D5 R6D2-L4 PolarHBondContact O-N 2.93Å; D2-D5 PolarHBondContact O-N 2.82Å; D2-D5 VanDerWaalsContact O-N 3.11Å; D2-R6 PolarHBondContact O-N 3.47Å
3A66.4Low63.9Low70 Ų70126.2 Ų126.258%0.57964%0.641SS**Hα-helixtrans-62.4-30.7-176.800000111.9R6 H7A3-R6 PolarHBondContact O-N 2.78Å; A3-H7 PolarHBondContact O-N 3.36Å
4L65.4Low63.8Low125 Ų125126.1 Ų126.165%0.65465%0.65SS**Hα-helixtrans-68-35.2175.2-64.9175.8000112.9D2 H7 R8D2-L4 PolarHBondContact O-N 2.93Å; L4-H7 PolarHBondContact O-N 3.27Å; L4-R8 WeakPolarHBondContact O-CB 3.3Å; L4-R8 PolarHBondContact O-N 2.94Å
5D62.6Low63.7Low95 Ų95122.5 Ų122.551%0.50864%0.636SS.*Hα-helixtrans-69.3-35.1177.3-91.1-22.2000111.8D2 S9D2-D5 PolarHBondContact O-N 2.82Å; D2-D5 VanDerWaalsContact O-N 3.11Å; D5-S9 PolarHBondContact O-N 3.44Å; D5-S9 VanDerWaalsContact O-N 3.11Å; D5-S9 PolarHBondContact O-OG 3.09Å
6R66.9Low63.5Low162 Ų162117.9 Ų117.961%0.61162%0.616SS**Hα-helixtrans-68-38.3174-85-174.9-93.1-155.9-4.1112.8M1 D2 A3 S9 L10M1-R6 PolarHBondContact O-NH2 3.44Å; D2-R6 PolarHBondContact O-N 3.47Å; A3-R6 PolarHBondContact O-N 2.78Å; R6-S9 PolarHBondContact O-OG 3.01Å; R6-L10 WeakPolarHBondContact O-CG 3.2Å
7H65.4Low63.7Low126 Ų126117.2 Ų117.258%0.58362%0.62SS**Hα-helixtrans-72-36.7176.7-170.4-92.6000111.9A3 L4A3-H7 PolarHBondContact O-N 3.36Å; L4-H7 PolarHBondContact O-N 3.27Å
8R62.7Low64.2Low162 Ų162119.7 Ų119.761%0.61162%0.62SS**Hα-helixtrans-66.7-38.3177-104.7-179168.3-158.9-1113.2L4 L10 Y11 K12L4-R8 WeakPolarHBondContact O-CB 3.3Å; L4-R8 PolarHBondContact O-N 2.94Å; R8-L10 VanDerWaalsContact C-N 3.25Å; R8-L10 PolarHBondContact O-N 3.24Å; R8-Y11 PolarHBondContact O-N 2.9Å; R8-K12 PolarHBondContact O-N 3.45Å
9S63.5Low64.6Low71 Ų71118.3 Ų118.350%0.49761%0.609SS.*Hα-helixtrans-69.9-19.2-177.960.10000114.1D5 R6D5-S9 PolarHBondContact O-N 3.44Å; D5-S9 VanDerWaalsContact O-N 3.11Å; D5-S9 PolarHBondContact O-OG 3.09Å; R6-S9 PolarHBondContact O-OG 3.01Å
10L66.3Low65.3Low130 Ų130116.7 Ų116.768%0.68160%0.598SS**Hα-helixtrans-74-31.3176.9-70.6169.8000113.5R6 R8R6-L10 WeakPolarHBondContact O-CG 3.2Å; R8-L10 VanDerWaalsContact C-N 3.25Å; R8-L10 PolarHBondContact O-N 3.24Å
11Y62.5Low65.8Low188 Ų188114.3 Ų114.374%0.73759%0.589SS**Hα-helixtrans-122.9-15.1-172.5-62.1-78.5000114.5R8R8-Y11 PolarHBondContact O-N 2.9Å
12K60.2Low66.9Low141 Ų141111.1 Ų111.161%0.61357%0.567SS**SBendtrans-121.7112.7174.3-61.8-171179.6-172.90108R8 T14R8-K12 PolarHBondContact O-N 3.45Å; K12-T14 PolarHBondContact O-N 2.78Å
13G61.7Low67.3Low72 Ų72111.7 Ų111.774%0.74256%0.562SS**PPolyproline II helixtrans-51.8130.617200000109.6T15G13-T15 PolarHBondContact O-N 3.06Å; G13-T15 VanDerWaalsContact O-N 3.09Å
14T62.3Low68Low125 Ų125114.5 Ų114.577%0.76756%0.561SS**PPolyproline II helixtrans-52.7121.6175.730.80000107.8K12 P16K12-T14 PolarHBondContact O-N 2.78Å; T14-P16 VanDerWaalsContact O-CD 3.3Å; T14-P16 WeakPolarHBondContact O-CD 3.49Å
15T62.1Low68.9Low71 Ų71116.6 Ų116.644%0.43656%0.56SS.*PPolyproline II helixtrans-57.1122.6-178.9-62.30000106.7G13 K19G13-T15 PolarHBondContact O-N 3.06Å; G13-T15 VanDerWaalsContact O-N 3.09Å; T15-K19 HydrophobicContact CG2-CB 3.64Å; T15-K19 HydrophobicContact CG2-CD 3.96Å; T15-K19 HydrophobicContact CG2-CG 4.33Å
16P61.1Low69.9Low49 Ų49114.6 Ų114.632%0.31855%0.553SS.*PPolyproline II helixtrans-49.6133.6-176.6-31.135000110.5T14 W18 K19T14-P16 VanDerWaalsContact O-CD 3.3Å; T14-P16 WeakPolarHBondContact O-CD 3.49Å; P16-W18 VanDerWaalsContact CB-CD1 3.43Å; P16-W18 HydrophobicContact CB-CG 4.34Å; P16-W18 VanDerWaalsContact CB-NE1 3.35Å; P16-W18 PolarHBondContact O-N 3.45Å; P16-K19 PolarHBondContact O-N 3.3Å
17P67.2Low70.8Confident106 Ų106110.4 Ų110.469%0.68855%0.545SS*.Hα-helixtrans-53.2-30-170.4-27.532.6000113.8K19 E20 T21P17-K19 PolarHBondContact O-N 3.21Å; P17-E20 PolarHBondContact O-N 3.45Å; P17-T21 WeakPolarHBondContact O-CB 3.23Å; P17-T21 PolarHBondContact O-N 2.94Å; P17-T21 PolarHBondContact O-OG1 2.94Å
18W71.6Confident71.9Confident163 Ų163108.3 Ų108.362%0.61754%0.538SS*.Hα-helixtrans-65.5-32.2176.873.9-100.3000113.7P16 T21 Y22P16-W18 VanDerWaalsContact CB-CD1 3.43Å; P16-W18 HydrophobicContact CB-CG 4.34Å; P16-W18 VanDerWaalsContact CB-NE1 3.35Å; P16-W18 PolarHBondContact O-N 3.45Å; W18-T21 PolarHBondContact O-N 2.8Å; W18-Y22 WeakPolarHBondContact O-CB 3.4Å; W18-Y22 PolarHBondContact O-N 3.24Å
19K73.3Confident73Confident93 Ų93108 Ų10840%0.40454%0.537SS..Hα-helixtrans-70.7-38.1178.3-67.3-171.9-175.6-179.70111.4T15 P16 P17 Y22 R23T15-K19 HydrophobicContact CG2-CB 3.64Å; T15-K19 HydrophobicContact CG2-CD 3.96Å; T15-K19 HydrophobicContact CG2-CG 4.33Å; P16-K19 PolarHBondContact O-N 3.3Å; P17-K19 PolarHBondContact O-N 3.21Å; K19-Y22 PolarHBondContact O-N 3.36Å; K19-R23 PolarHBondContact O-N 3.45Å
20E77.2Confident74Confident85 Ų85110.6 Ų110.640%0.39755%0.545SS..Hα-helixtrans-66.6-43.8174.2-164.560.1-126.300110.6P17 Y22 R23 K24P17-E20 PolarHBondContact O-N 3.45Å; E20-Y22 VanDerWaalsContact C-N 3.32Å; E20-Y22 PolarHBondContact O-N 3.11Å; E20-R23 PolarHBondContact O-N 3Å; E20-R23 IonicContact OE1-NH1 2.61Å; E20-R23 PolarHBondContact OE1-NH1 3.44Å; E20-R23 IonicContact OE2-CZ 3.69Å; E20-R23 IonicContact OE2-NH1 3.31Å; E20-R23 PolarHBondContact OE2-NH1 3.21Å; E20-R23 IonicContact OE2-NH2 3.91Å; E20-K24 PolarHBondContact O-N 2.99Å
21T76.2Confident74.9Confident67 Ų67110.4 Ų110.441%0.41154%0.539SS..Hα-helixtrans-63.2-40176.1-51.80000111.4P17 W18 R25P17-T21 WeakPolarHBondContact O-CB 3.23Å; P17-T21 PolarHBondContact O-N 2.94Å; P17-T21 PolarHBondContact O-OG1 2.94Å; W18-T21 PolarHBondContact O-N 2.8Å; T21-R25 WeakPolarHBondContact O-CB 3.48Å; T21-R25 WeakPolarHBondContact O-CG 3.33Å; T21-R25 PolarHBondContact O-N 3.42Å
22Y77.7Confident75.9Confident131 Ų131106.7 Ų106.751%0.51453%0.532SS..Hα-helixtrans-65.1-45.1175179.1-92.3000111.7W18 K19 E20 R25 C26W18-Y22 WeakPolarHBondContact O-CB 3.4Å; W18-Y22 PolarHBondContact O-N 3.24Å; K19-Y22 PolarHBondContact O-N 3.36Å; E20-Y22 VanDerWaalsContact C-N 3.32Å; E20-Y22 PolarHBondContact O-N 3.11Å; Y22-R25 PolarHBondContact O-N 2.61Å; Y22-C26 VanDerWaalsContact O-CB 3.23Å; Y22-C26 WeakPolarHBondContact O-CB 3.3Å; Y22-C26 PolarHBondContact O-N 3.19Å
23R81.9Confident76.7Confident113 Ų113102.7 Ų102.743%0.42652%0.521SS..Hα-helixtrans-59.5-47.7175.5-85-166.1-112.294.6-3.7111.5K19 E20 C26 V27K19-R23 PolarHBondContact O-N 3.45Å; E20-R23 PolarHBondContact O-N 3Å; E20-R23 IonicContact OE1-NH1 2.61Å; E20-R23 PolarHBondContact OE1-NH1 3.44Å; E20-R23 IonicContact OE2-CZ 3.69Å; E20-R23 IonicContact OE2-NH1 3.31Å; E20-R23 PolarHBondContact OE2-NH1 3.21Å; E20-R23 IonicContact OE2-NH2 3.91Å; R23-C26 PolarHBondContact O-N 2.92Å; R23-V27 WeakPolarHBondContact O-CG2 3.46Å; R23-V27 PolarHBondContact O-N 2.85Å
24K80.1Confident77.8Confident129 Ų129107.8 Ų107.856%0.56152%0.518SS*.Hα-helixtrans-57.7-52.4175.2-73.8-176.2178.9-178.40111.6E20 C26 V27 D28E20-K24 PolarHBondContact O-N 2.99Å; K24-C26 VanDerWaalsContact C-N 3.25Å; K24-C26 PolarHBondContact O-N 2.84Å; K24-V27 PolarHBondContact O-N 3.43Å; K24-D28 WeakPolarHBondContact O-CB 3.32Å; K24-D28 VanDerWaalsContact O-CG 3.26Å; K24-D28 PolarHBondContact O-N 3.34Å
25R85Confident78.7Confident170 Ų170106.3 Ų106.364%0.64251%0.509SS*.Hα-helixtrans-61.3-31177.4-73.5-178.1178.9-173.50.6113.5T21 Y22 R29T21-R25 WeakPolarHBondContact O-CB 3.48Å; T21-R25 WeakPolarHBondContact O-CG 3.33Å; T21-R25 PolarHBondContact O-N 3.42Å; Y22-R25 PolarHBondContact O-N 2.61Å; R25-R29 VanDerWaalsContact O-CB 3.3Å; R25-R29 WeakPolarHBondContact O-CB 3.45Å; R25-R29 WeakPolarHBondContact O-CG 3.39Å; R25-R29 PolarHBondContact O-N 3.24Å; R25-R29 PolarHBondContact O-NE 3.32Å
26C84Confident79.6Confident53 Ų53110.6 Ų110.636%0.35852%0.517SS..Hα-helixtrans-71.1-47.3176.1-166.30000111Y22 R23 K24 D28 R29 L30Y22-C26 VanDerWaalsContact O-CB 3.23Å; Y22-C26 WeakPolarHBondContact O-CB 3.3Å; Y22-C26 PolarHBondContact O-N 3.19Å; R23-C26 PolarHBondContact O-N 2.92Å; K24-C26 VanDerWaalsContact C-N 3.25Å; K24-C26 PolarHBondContact O-N 2.84Å; C26-D28 VanDerWaalsContact C-N 3.34Å; C26-D28 PolarHBondContact O-N 3.2Å; C26-R29 PolarHBondContact O-N 3.46Å; C26-L30 WeakPolarHBondContact O-CB 3.48Å; C26-L30 PolarHBondContact O-N 3.5Å
27V85.6Confident80.5Confident74 Ų74112 Ų11245%0.44852%0.522SS..Hα-helixtrans-61.7-43.6175.6172.20000110.7R23 K24 L30 K31R23-V27 WeakPolarHBondContact O-CG2 3.46Å; R23-V27 PolarHBondContact O-N 2.85Å; K24-V27 PolarHBondContact O-N 3.43Å; V27-L30 WeakPolarHBondContact O-CB 3.22Å; V27-L30 PolarHBondContact O-N 2.86Å; V27-K31 HydrophobicContact CG1-CD 4.14Å; V27-K31 HydrophobicContact CG1-CG 4.43Å; V27-K31 WeakPolarHBondContact O-CB 3.46Å; V27-K31 WeakPolarHBondContact O-CG 3.36Å; V27-K31 PolarHBondContact O-N 3.31Å
28D86.9Confident81Confident82 Ų82110 Ų11044%0.43951%0.505SS..Hα-helixtrans-65.5-41.1177.8-67.2-25.1000111.5K24 C26 L30 K31 N32K24-D28 WeakPolarHBondContact O-CB 3.32Å; K24-D28 VanDerWaalsContact O-CG 3.26Å; K24-D28 PolarHBondContact O-N 3.34Å; C26-D28 VanDerWaalsContact C-N 3.34Å; C26-D28 PolarHBondContact O-N 3.2Å; D28-L30 VanDerWaalsContact C-N 3.32Å; D28-L30 PolarHBondContact O-N 3.26Å; D28-K31 PolarHBondContact O-N 2.83Å; D28-N32 VanDerWaalsContact O-CB 3.27Å; D28-N32 WeakPolarHBondContact O-CB 3.47Å; D28-N32 PolarHBondContact O-N 2.89Å; D28-N32 PolarHBondContact O-ND2 3.19Å
29R86.5Confident81.2Confident154 Ų154103.5 Ų103.558%0.58149%0.488SS*.Hα-helixtrans-61.1-41171.8-84.3-172.3-68.8-175.61.4112.1R25 C26 S33R25-R29 VanDerWaalsContact O-CB 3.3Å; R25-R29 WeakPolarHBondContact O-CB 3.45Å; R25-R29 WeakPolarHBondContact O-CG 3.39Å; R25-R29 PolarHBondContact O-N 3.24Å; R25-R29 PolarHBondContact O-NE 3.32Å; C26-R29 PolarHBondContact O-N 3.46Å; R29-S33 VanDerWaalsContact O-CB 3.22Å; R29-S33 WeakPolarHBondContact O-CB 3.5Å; R29-S33 PolarHBondContact O-N 3.37Å
30L84.8Confident81.3Confident127 Ų127105.6 Ų105.667%0.66549%0.493SS*.Hα-helixtrans-65.6-46.8178.8-158.498.6000111C26 V27 D28 S33 R34C26-L30 WeakPolarHBondContact O-CB 3.48Å; C26-L30 PolarHBondContact O-N 3.5Å; V27-L30 WeakPolarHBondContact O-CB 3.22Å; V27-L30 PolarHBondContact O-N 2.86Å; D28-L30 VanDerWaalsContact C-N 3.32Å; D28-L30 PolarHBondContact O-N 3.26Å; L30-S33 PolarHBondContact O-N 3.24Å; L30-R34 WeakPolarHBondContact O-CB 3.42Å; L30-R34 PolarHBondContact O-N 2.96Å
31K85.5Confident80.7Confident126 Ų126109.6 Ų109.655%0.54851%0.506SS..Hα-helixtrans-60.1-47.6175.9-75179.4176.9-178.60111.1V27 D28 S33 R34 T35V27-K31 HydrophobicContact CG1-CD 4.14Å; V27-K31 HydrophobicContact CG1-CG 4.43Å; V27-K31 WeakPolarHBondContact O-CB 3.46Å; V27-K31 WeakPolarHBondContact O-CG 3.36Å; V27-K31 PolarHBondContact O-N 3.31Å; D28-K31 PolarHBondContact O-N 2.83Å; K31-S33 PolarHBondContact O-N 2.86Å; K31-R34 PolarHBondContact O-N 3.11Å; K31-T35 PolarHBondContact O-N 3.28Å; K31-T35 PolarHBondContact O-OG1 3.47Å
32N82.4Confident80.5Confident110 Ų110115.5 Ų115.559%0.58852%0.521SS*.Hα-helixtrans-66.1-37.3178.4-69.8-20.9000112.2D28 R36D28-N32 VanDerWaalsContact O-CB 3.27Å; D28-N32 WeakPolarHBondContact O-CB 3.47Å; D28-N32 PolarHBondContact O-N 2.89Å; D28-N32 PolarHBondContact O-ND2 3.19Å; N32-R36 WeakPolarHBondContact O-CB 3.36Å; N32-R36 PolarHBondContact O-N 2.83Å
33S77.9Confident79.6Confident56 Ų56115.6 Ų115.639%0.39253%0.526SS..Hα-helixtrans-63.5-44.5173.6-168.40000111.3R29 L30 K31 R36 L37R29-S33 VanDerWaalsContact O-CB 3.22Å; R29-S33 WeakPolarHBondContact O-CB 3.5Å; R29-S33 PolarHBondContact O-N 3.37Å; L30-S33 PolarHBondContact O-N 3.24Å; K31-S33 PolarHBondContact O-N 2.86Å; S33-R36 PolarHBondContact O-N 2.89Å; S33-L37 WeakPolarHBondContact O-CB 3.2Å; S33-L37 PolarHBondContact O-N 2.96Å
34R84.4Confident78.2Confident179 Ų179117.4 Ų117.468%0.67554%0.541SS*.Hα-helixtrans-61.5-50175.3-177.8-177.8-179.5-125.63.2111.3L30 K31 R36 L37 L38L30-R34 WeakPolarHBondContact O-CB 3.42Å; L30-R34 PolarHBondContact O-N 2.96Å; K31-R34 PolarHBondContact O-N 3.11Å; R34-R36 VanDerWaalsContact C-N 3.29Å; R34-R36 PolarHBondContact O-N 3.27Å; R34-L37 WeakPolarHBondContact O-CB 3.33Å; R34-L37 PolarHBondContact O-N 2.87Å; R34-L38 HydrophobicContact CG-CD1 3.99Å; R34-L38 HydrophobicContact CG-CG 4.41Å; R34-L38 WeakPolarHBondContact O-CB 3.25Å; R34-L38 WeakPolarHBondContact O-CG 3.39Å; R34-L38 PolarHBondContact O-N 3.4Å
35T81Confident76.8Confident95 Ų95112.9 Ų112.958%0.58353%0.531SS*.Hα-helixtrans-61.9-38.5178.8-53.30000111.3K31 G39K31-T35 PolarHBondContact O-N 3.28Å; K31-T35 PolarHBondContact O-OG1 3.47Å; T35-G39 WeakPolarHBondContact O-CA 3.27Å; T35-G39 PolarHBondContact O-N 3.33Å
36R82.2Confident75Confident160 Ų160110.7 Ų110.760%0.60453%0.532SS*.Hα-helixtrans-69.8-35.6175.2-174.2178.264.7-1751.8113N32 S33 R34 R40N32-R36 WeakPolarHBondContact O-CB 3.36Å; N32-R36 PolarHBondContact O-N 2.83Å; S33-R36 PolarHBondContact O-N 2.89Å; R34-R36 VanDerWaalsContact C-N 3.29Å; R34-R36 PolarHBondContact O-N 3.27Å; R36-R40 PolarHBondContact O-N 2.83Å
37L78.4Confident73.3Confident79 Ų79116.9 Ų116.941%0.41456%0.556SS.*Hα-helixtrans-65.3-52174.2-16992.9000109.9S33 R34 G39 R40 Y41S33-L37 WeakPolarHBondContact O-CB 3.2Å; S33-L37 PolarHBondContact O-N 2.96Å; R34-L37 WeakPolarHBondContact O-CB 3.33Å; R34-L37 PolarHBondContact O-N 2.87Å; L37-G39 VanDerWaalsContact C-N 3.3Å; L37-G39 PolarHBondContact O-N 3.38Å; L37-R40 WeakPolarHBondContact O-CB 3.47Å; L37-R40 PolarHBondContact O-N 2.95Å; L37-R40 VanDerWaalsContact O-N 3.14Å; L37-Y41 HydrophobicContact CD1-CE2 4.35Å; L37-Y41 HydrophobicContact CD2-CD2 4.42Å; L37-Y41 HydrophobicContact CD2-CE2 4.03Å; L37-Y41 HydrophobicContact CG-CD2 4.07Å; L37-Y41 HydrophobicContact CG-CE2 3.85Å; L37-Y41 VanDerWaalsContact O-CD2 3.25Å; L37-Y41 WeakPolarHBondContact O-CD2 3.44Å; L37-Y41 PolarHBondContact O-N 3.14Å
38L77.8Confident71.5Confident65 Ų65120.9 Ų120.934%0.3457%0.569SS.*Hα-helixtrans-61.9-38.5176.8-66.6175.5000111.8R34 Y41 R42R34-L38 HydrophobicContact CG-CD1 3.99Å; R34-L38 HydrophobicContact CG-CG 4.41Å; R34-L38 WeakPolarHBondContact O-CB 3.25Å; R34-L38 WeakPolarHBondContact O-CG 3.39Å; R34-L38 PolarHBondContact O-N 3.4Å; L38-Y41 PolarHBondContact O-N 2.79Å; L38-R42 WeakPolarHBondContact O-CB 3.48Å; L38-R42 VanDerWaalsContact O-CG 3.22Å; L38-R42 WeakPolarHBondContact O-CG 3.48Å; L38-R42 PolarHBondContact O-N 2.78Å
39G76.3Confident69.5Low25 Ų25121.1 Ų121.126%0.25857%0.574SS.*Hα-helixtrans-61.2-42.9173.500000112.2T35 L37 R42 Q43T35-G39 WeakPolarHBondContact O-CA 3.27Å; T35-G39 PolarHBondContact O-N 3.33Å; L37-G39 VanDerWaalsContact C-N 3.3Å; L37-G39 PolarHBondContact O-N 3.38Å; G39-R42 PolarHBondContact O-N 3.32Å; G39-Q43 WeakPolarHBondContact O-CB 3.38Å; G39-Q43 WeakPolarHBondContact O-CG 3.22Å; G39-Q43 PolarHBondContact O-N 2.84Å
40R74.4Confident67.4Low137 Ų137125.9 Ų125.952%0.51759%0.592SS.*Hα-helixtrans-62.5-46.1172.6-83.4-172.6-74163.8-2112R36 L37 R42 Q43 M44R36-R40 PolarHBondContact O-N 2.83Å; L37-R40 WeakPolarHBondContact O-CB 3.47Å; L37-R40 PolarHBondContact O-N 2.95Å; L37-R40 VanDerWaalsContact O-N 3.14Å; R40-R42 VanDerWaalsContact C-N 3.27Å; R40-R42 PolarHBondContact O-N 2.91Å; R40-Q43 PolarHBondContact O-N 3.27Å; R40-M44 VanDerWaalsContact O-CB 3.26Å; R40-M44 WeakPolarHBondContact O-CB 3.26Å; R40-M44 PolarHBondContact O-N 3.13Å
41Y66.1Low65.5Low169 Ų169124.4 Ų124.466%0.66359%0.592SS**Hα-helixtrans-60.4-37.4176.1-83.3-74.9000112.6L37 L38 G45L37-Y41 HydrophobicContact CD1-CE2 4.35Å; L37-Y41 HydrophobicContact CD2-CD2 4.42Å; L37-Y41 HydrophobicContact CD2-CE2 4.03Å; L37-Y41 HydrophobicContact CG-CD2 4.07Å; L37-Y41 HydrophobicContact CG-CE2 3.85Å; L37-Y41 VanDerWaalsContact O-CD2 3.25Å; L37-Y41 WeakPolarHBondContact O-CD2 3.44Å; L37-Y41 PolarHBondContact O-N 3.14Å; L38-Y41 PolarHBondContact O-N 2.79Å; Y41-G45 PolarHBondContact O-N 3.28Å
42R72.4Confident63.7Low191 Ų191123.8 Ų123.872%0.72160%0.604SS**Hα-helixtrans-70.5-41.5176.1-70170.9-174.7-164.4-0.5112.4L38 G39 R40 G45 D46L38-R42 WeakPolarHBondContact O-CB 3.48Å; L38-R42 VanDerWaalsContact O-CG 3.22Å; L38-R42 WeakPolarHBondContact O-CG 3.48Å; L38-R42 PolarHBondContact O-N 2.78Å; G39-R42 PolarHBondContact O-N 3.32Å; R40-R42 VanDerWaalsContact C-N 3.27Å; R40-R42 PolarHBondContact O-N 2.91Å; R42-G45 PolarHBondContact O-N 2.96Å; R42-D46 PolarHBondContact O-N 3.43Å
43Q58.3Low62.2Low134 Ų134123 Ų12363%0.62661%0.607SS**Hα-helixtrans-72.4-34.7177.8-76.4175.9-8.800113G39 R40 G45 D46 E47G39-Q43 WeakPolarHBondContact O-CB 3.38Å; G39-Q43 WeakPolarHBondContact O-CG 3.22Å; G39-Q43 PolarHBondContact O-N 2.84Å; R40-Q43 PolarHBondContact O-N 3.27Å; Q43-G45 PolarHBondContact O-N 3.24Å; Q43-D46 PolarHBondContact O-N 3.49Å; Q43-E47 PolarHBondContact O-N 3.35Å; Q43-E47 VanDerWaalsContact O-N 3.13Å
44M51.8Low61Low150 Ų150122.5 Ų122.574%0.73961%0.611SS**Hα-helixtrans-63.7-24.7171.4-146.8112.3169.700111.3R40R40-M44 VanDerWaalsContact O-CB 3.26Å; R40-M44 WeakPolarHBondContact O-CB 3.26Å; R40-M44 PolarHBondContact O-N 3.13Å
45G50.9Low59.5Low34 Ų34119.2 Ų119.235%0.35161%0.612SS.*Hα-helixtrans-76.9-25.8169.100000114.2Y41 R42 Q43 T49Y41-G45 PolarHBondContact O-N 3.28Å; R42-G45 PolarHBondContact O-N 2.96Å; Q43-G45 PolarHBondContact O-N 3.24Å; G45-T49 WeakPolarHBondContact O-CG2 3.14Å; G45-T49 PolarHBondContact O-N 3.3Å; G45-T49 PolarHBondContact O-OG1 3.29Å
46D47.6Very low58.5Low124 Ų124119 Ų11966%0.66361%0.614SS**Hα-helixtrans-87.5-25.5-179-105.7-7.7000113.6R42 Q43 Q48 T49R42-D46 PolarHBondContact O-N 3.43Å; Q43-D46 PolarHBondContact O-N 3.49Å; D46-Q48 VanDerWaalsContact C-N 3.27Å; D46-T49 WeakPolarHBondContact CA-OG1 3.47Å; D46-T49 PolarHBondContact O-OG1 3.04Å; D46-T49 VanDerWaalsContact O-OG1 3.04Å
47E48.3Very low57.6Low184 Ų184115.4 Ų115.486%0.8661%0.607SS**SBendtrans-76.8-15.6172-72.2-162.8149.800112.8Q43Q43-E47 PolarHBondContact O-N 3.35Å; Q43-E47 VanDerWaalsContact O-N 3.13Å
48Q48.4Very low57.1Low157 Ų157117 Ų11773%0.73461%0.614SS**SBendtrans-108.14.6-179.5-142.982.153.200113.7D46 R50D46-Q48 VanDerWaalsContact C-N 3.27Å; Q48-R50 VanDerWaalsContact C-N 3.3Å; Q48-R50 PolarHBondContact O-N 3.06Å
49T43.3Very low56.7Low87 Ų87118.1 Ų118.153%0.53462%0.624SS.*THydrogen-bonded Turntrans-86.266.3176.740.20000112.1G45 D46G45-T49 WeakPolarHBondContact O-CG2 3.14Å; G45-T49 PolarHBondContact O-N 3.3Å; G45-T49 PolarHBondContact O-OG1 3.29Å; D46-T49 WeakPolarHBondContact CA-OG1 3.47Å; D46-T49 PolarHBondContact O-OG1 3.04Å; D46-T49 VanDerWaalsContact O-OG1 3.04Å
50R44Very low56.3Low255 Ų255120.8 Ų120.896%0.96263%0.63SS**THydrogen-bonded Turntrans-108.612.8140.9-65.5-162.198.51807.8112.7Q48Q48-R50 VanDerWaalsContact C-N 3.3Å; Q48-R50 PolarHBondContact O-N 3.06Å
51S43.5Very low56.2Low95 Ų95120.1 Ų120.166%0.66463%0.632SS**SBendtrans-135.1131.7172.4-177.90000111S53S51-S53 PolarHBondContact O-N 3.23Å
52S48.2Very low56.7Low114 Ų114115.7 Ų115.780%0.79762%0.623SS**  trans-8587.7-164.851.60000113.3
53S50.7Low56.9Low94 Ų94111.2 Ų111.266%0.65761%0.611SS**  trans-158.4109.8162.6-98.10000111.3S51 I57S51-S53 PolarHBondContact O-N 3.23Å; S53-I57 VanDerWaalsContact CB-CD1 3.46Å; S53-I57 WeakPolarHBondContact OG-CD1 3.42Å
54G52.8Low57.7Low45 Ų45108.6 Ų108.646%0.46460%0.599SS.*  trans-83.5-174.8-169.600000115.2S56 I57G54-S56 PolarHBondContact O-N 3.46Å; G54-I57 PolarHBondContact O-N 3.45Å
55P53.7Low58.8Low109 Ų109108 Ų10871%0.70859%0.594SS**THydrogen-bonded Turntrans-58.3-6.4-177.122.1-33.4000116I57 V59P55-I57 VanDerWaalsContact C-N 3.35Å; P55-V59 WeakPolarHBondContact O-CG2 3.28Å; P55-V59 PolarHBondContact O-N 3.17Å
56S58.5Low60.2Low90 Ų90112.4 Ų112.463%0.62961%0.606SS**Hα-helixtrans-65.9-33.3175.9-166.60000113.1G54 Q60G54-S56 PolarHBondContact O-N 3.46Å; S56-Q60 WeakPolarHBondContact O-CB 3.26Å; S56-Q60 PolarHBondContact O-N 3.24Å; S56-Q60 VanDerWaalsContact O-N 3.15Å
57I63.6Low61.5Low86 Ų86110 Ų11044%0.44159%0.587SS.*Hα-helixtrans-74.7-40.1-176.7-76.1155.4000111.4S53 G54 P55 Q60 E61S53-I57 VanDerWaalsContact CB-CD1 3.46Å; S53-I57 WeakPolarHBondContact OG-CD1 3.42Å; G54-I57 PolarHBondContact O-N 3.45Å; P55-I57 VanDerWaalsContact C-N 3.35Å; I57-Q60 PolarHBondContact O-N 3.18Å; I57-E61 WeakPolarHBondContact O-CB 3.45Å; I57-E61 PolarHBondContact O-N 3.47Å
58I68.4Low62.7Low111 Ų111104.6 Ų104.657%0.56957%0.57SS**Hα-helixtrans-66.8-40.8178.7-63.5168.4000110.9Q60 E61 V62I58-Q60 VanDerWaalsContact C-N 3.29Å; I58-Q60 PolarHBondContact O-N 2.65Å; I58-E61 PolarHBondContact O-N 3.07Å; I58-V62 WeakPolarHBondContact O-CG2 3.33Å; I58-V62 PolarHBondContact O-N 3.48Å; I58-V62 VanDerWaalsContact O-N 3.08Å
59V70.2Confident64.1Low89 Ų8999.5 Ų99.554%0.53956%0.555SS.*Hα-helixtrans-64-39.8175.9173.50000110.6P55 M63P55-V59 WeakPolarHBondContact O-CG2 3.28Å; P55-V59 PolarHBondContact O-N 3.17Å; V59-M63 HydrophobicContact CG1-SD 4.44Å; V59-M63 WeakPolarHBondContact O-CB 3.46Å; V59-M63 WeakPolarHBondContact O-CG 3.4Å; V59-M63 PolarHBondContact O-N 3.37Å
60Q66.7Low65.5Low82 Ų8299.5 Ų99.538%0.38355%0.551SS.*Hα-helixtrans-65.3-43.4177.4-175.6175.2-14.600112.2S56 I57 I58 M63 E64S56-Q60 WeakPolarHBondContact O-CB 3.26Å; S56-Q60 PolarHBondContact O-N 3.24Å; S56-Q60 VanDerWaalsContact O-N 3.15Å; I57-Q60 PolarHBondContact O-N 3.18Å; I58-Q60 VanDerWaalsContact C-N 3.29Å; I58-Q60 PolarHBondContact O-N 2.65Å; Q60-M63 PolarHBondContact O-N 3.47Å; Q60-E64 PolarHBondContact NE2-OE1 3.42Å; Q60-E64 PolarHBondContact O-N 3.48Å
61E72.1Confident66.7Low122 Ų12289.9 Ų89.957%0.5752%0.517SS*.Hα-helixtrans-62.3-45.4178.3-171.9174.8-161.400111.8I57 I58 M63 E64 E65I57-E61 WeakPolarHBondContact O-CB 3.45Å; I57-E61 PolarHBondContact O-N 3.47Å; I58-E61 PolarHBondContact O-N 3.07Å; E61-M63 VanDerWaalsContact C-N 3.32Å; E61-M63 PolarHBondContact O-N 3.04Å; E61-E64 PolarHBondContact O-N 2.99Å; E61-E65 PolarHBondContact O-N 3.27Å
62V77.9Confident67.8Low77 Ų7789.5 Ų89.547%0.46751%0.514SS..Hα-helixtrans-64-38.3176.4173.80000111.5I58 E65 E66I58-V62 WeakPolarHBondContact O-CG2 3.33Å; I58-V62 PolarHBondContact O-N 3.48Å; I58-V62 VanDerWaalsContact O-N 3.08Å; V62-E65 PolarHBondContact O-N 3.06Å; V62-E66 HydrophobicContact CG1-CG 4.31Å; V62-E66 WeakPolarHBondContact O-CB 3.49Å; V62-E66 VanDerWaalsContact O-CG 3.26Å; V62-E66 WeakPolarHBondContact O-CG 3.33Å; V62-E66 PolarHBondContact O-N 2.91Å
63M75.6Confident68.7Low97 Ų9791.1 Ų91.148%0.47851%0.514SS..Hα-helixtrans-66.2-38.1176-78.4-170.661.700112.8V59 Q60 E61 W67V59-M63 HydrophobicContact CG1-SD 4.44Å; V59-M63 WeakPolarHBondContact O-CB 3.46Å; V59-M63 WeakPolarHBondContact O-CG 3.4Å; V59-M63 PolarHBondContact O-N 3.37Å; Q60-M63 PolarHBondContact O-N 3.47Å; E61-M63 VanDerWaalsContact C-N 3.32Å; E61-M63 PolarHBondContact O-N 3.04Å; M63-W67 VanDerWaalsContact O-CB 3.27Å; M63-W67 WeakPolarHBondContact O-CB 3.48Å; M63-W67 PolarHBondContact O-N 3.48Å
64E75.3Confident69.2Low78 Ų7890.3 Ų90.336%0.36450%0.502SS..Hα-helixtrans-68.5-38.5176.9-78.4172-165.300112Q60 E61 S68Q60-E64 PolarHBondContact NE2-OE1 3.42Å; Q60-E64 PolarHBondContact O-N 3.48Å; E61-E64 PolarHBondContact O-N 2.99Å; E64-S68 VanDerWaalsContact O-CB 3.28Å; E64-S68 WeakPolarHBondContact O-CB 3.36Å; E64-S68 PolarHBondContact O-N 3.25Å; E64-S68 PolarHBondContact O-OG 2.87Å
65E75.6Confident69.7Low137 Ų13797 Ų9764%0.6452%0.522SS*.Hα-helixtrans-68.1-47.5178.3-165.7170.1-160.800111.6E61 V62 W67 S68 A69E61-E65 PolarHBondContact O-N 3.27Å; V62-E65 PolarHBondContact O-N 3.06Å; E65-W67 PolarHBondContact O-N 3.08Å; E65-S68 PolarHBondContact O-N 3.43Å; E65-A69 PolarHBondContact O-N 3.33Å
66E80.1Confident70.2Confident127 Ų127102 Ų10259%0.59353%0.526SS*.Hα-helixtrans-65.7-37.3177.5-67.7-70.2136.200112.1V62 A69 L70V62-E66 HydrophobicContact CG1-CG 4.31Å; V62-E66 WeakPolarHBondContact O-CB 3.49Å; V62-E66 VanDerWaalsContact O-CG 3.26Å; V62-E66 WeakPolarHBondContact O-CG 3.33Å; V62-E66 PolarHBondContact O-N 2.91Å; E66-A69 PolarHBondContact O-N 3.42Å; E66-L70 WeakPolarHBondContact O-CG 3.27Å; E66-L70 PolarHBondContact O-N 3.01Å
67W73.8Confident70.2Confident73 Ų73100.2 Ų100.228%0.27751%0.51SS..Hα-helixtrans-69.9-38.3177.2-170-100.8000112.8M63 E65 A69 L70 Q71 P78 L80M63-W67 VanDerWaalsContact O-CB 3.27Å; M63-W67 WeakPolarHBondContact O-CB 3.48Å; M63-W67 PolarHBondContact O-N 3.48Å; E65-W67 PolarHBondContact O-N 3.08Å; W67-A69 VanDerWaalsContact C-N 3.3Å; W67-A69 PolarHBondContact O-N 3.45Å; W67-L70 HydrophobicContact CE3-CD1 4.16Å; W67-L70 PolarHBondContact O-N 3.39Å; W67-Q71 WeakPolarHBondContact O-CG 3.19Å; W67-Q71 PolarHBondContact O-N 2.74Å; W67-P78 PolarHBondContact NE1-O 3.48Å; W67-L80 HydrophobicContact CB-CB 4.48Å; W67-L80 HydrophobicContact CB-CD1 3.61Å; W67-L80 HydrophobicContact CD2-CB 4.33Å; W67-L80 HydrophobicContact CD2-CD1 3.28Å; W67-L80 HydrophobicContact CD2-CG 4.27Å; W67-L80 HydrophobicContact CE3-CD1 3.65Å; W67-L80 HydrophobicContact CG-CB 3.86Å; W67-L80 HydrophobicContact CG-CD1 3.27Å; W67-L80 HydrophobicContact CG-CG 4.14Å; W67-L80 HydrophobicContact CZ2-CD1 4.48Å; W67-L80 HydrophobicContact CZ3-CD1 4.38Å
68S73.8Confident70.3Confident71 Ų7197.7 Ų97.750%0.49750%0.499SS..Hα-helixtrans-65.8-35.2176.8-62.30000111.6E64 E65 S72E64-S68 VanDerWaalsContact O-CB 3.28Å; E64-S68 WeakPolarHBondContact O-CB 3.36Å; E64-S68 PolarHBondContact O-N 3.25Å; E64-S68 PolarHBondContact O-OG 2.87Å; E65-S68 PolarHBondContact O-N 3.43Å; S68-S72 PolarHBondContact O-N 3.02Å
69A78.8Confident70.1Confident50 Ų5094.3 Ų94.341%0.41349%0.485SS..Hα-helixtrans-62.6-45.4171.500000111.7E65 E66 W67 Q71 S72E65-A69 PolarHBondContact O-N 3.33Å; E66-A69 PolarHBondContact O-N 3.42Å; W67-A69 VanDerWaalsContact C-N 3.3Å; W67-A69 PolarHBondContact O-N 3.45Å; A69-Q71 PolarHBondContact O-N 3.02Å; A69-S72 PolarHBondContact O-N 3.49Å; A69-S72 PolarHBondContact O-OG 3.16Å
70L72.2Confident69.7Low88 Ų8893 Ų9346%0.46147%0.474SS..Hα-helixtrans-63.6-38.6177.8-70.4169.2000113.2E66 W67 S72 D73 D74 L77E66-L70 WeakPolarHBondContact O-CG 3.27Å; E66-L70 PolarHBondContact O-N 3.01Å; W67-L70 HydrophobicContact CE3-CD1 4.16Å; W67-L70 PolarHBondContact O-N 3.39Å; L70-S72 VanDerWaalsContact C-N 3.26Å; L70-S72 PolarHBondContact O-N 3.25Å; L70-D73 PolarHBondContact O-N 3.06Å; L70-D74 PolarHBondContact O-N 3.24Å; L70-L77 HydrophobicContact CB-CD1 4.22Å
71Q70.2Confident69.4Low52 Ų5296.7 Ų96.724%0.24349%0.485CS..Hα-helixtrans-64.7-29.9175.2-74.4-169.8-35.300113.4W67 A69 D73 D74 Q75 L77 P78 S79W67-Q71 WeakPolarHBondContact O-CG 3.19Å; W67-Q71 PolarHBondContact O-N 2.74Å; A69-Q71 PolarHBondContact O-N 3.02Å; Q71-D73 PolarHBondContact O-N 2.98Å; Q71-D74 CarbonylContact O-C 3.59Å; Q71-D74 VanDerWaalsContact O-C 3.23Å; Q71-D74 PolarHBondContact O-N 3.25Å; Q71-Q75 PolarHBondContact O-N 3.3Å; Q71-L77 HydrophobicContact CG-CB 3.99Å; Q71-L77 PolarHBondContact NE2-O 2.83Å; Q71-P78 PolarHBondContact NE2-O 3.38Å; Q71-S79 VanDerWaalsContact NE2-CA 3.28Å; Q71-S79 VanDerWaalsContact NE2-N 3.18Å
72S65.1Low68.6Low87 Ų8792.8 Ų92.861%0.60848%0.478SS*.Hα-helixtrans-69-27.5177.774.70000112.4S68 A69 L70S68-S72 PolarHBondContact O-N 3.02Å; A69-S72 PolarHBondContact O-N 3.49Å; A69-S72 PolarHBondContact O-OG 3.16Å; L70-S72 VanDerWaalsContact C-N 3.26Å; L70-S72 PolarHBondContact O-N 3.25Å
73D67.8Low67.6Low148 Ų14894.4 Ų94.479%0.79149%0.489SS*.Hα-helixtrans-86.7-31.7175-73.4-19.5000112.7L70 Q71L70-D73 PolarHBondContact O-N 3.06Å; Q71-D73 PolarHBondContact O-N 2.98Å
74D61.8Low66.6Low77 Ų7796.5 Ų96.541%0.41250%0.498SS..  trans-133.399.2174.6-170.4-4.8000112.1L70 Q71 R76 L77L70-D74 PolarHBondContact O-N 3.24Å; Q71-D74 CarbonylContact O-C 3.59Å; Q71-D74 VanDerWaalsContact O-C 3.23Å; Q71-D74 PolarHBondContact O-N 3.25Å; D74-R76 PolarHBondContact O-N 3.12Å; D74-R76 WeakPolarHBondContact OD1-CB 3.4Å; D74-R76 PolarHBondContact OD1-N 3Å; D74-R76 VanDerWaalsContact OD1-N 3.12Å; D74-L77 HydrophobicContact CB-CD1 3.98Å; D74-L77 HydrophobicContact CB-CG 4.15Å; D74-L77 PolarHBondContact O-N 3.15Å; D74-L77 VanDerWaalsContact O-N 3.16Å
75Q63.4Low65.8Low186 Ų18693 Ų9387%0.86948%0.483SS*.THydrogen-bonded Turntrans-64.2-7.7-177.8-67.4177.99.900114.1Q71Q71-Q75 PolarHBondContact O-N 3.3Å
76R62.5Low64.9Low213 Ų21390.1 Ų90.180%0.80448%0.475SS*.THydrogen-bonded Turntrans-84.9-9.7177.8-63.2-177.4170.6165.8-3.5113.3D74D74-R76 PolarHBondContact O-N 3.12Å; D74-R76 WeakPolarHBondContact OD1-CB 3.4Å; D74-R76 PolarHBondContact OD1-N 3Å; D74-R76 VanDerWaalsContact OD1-N 3.12Å
77L59.3Low63.9Low54 Ų5487 Ų8728%0.28347%0.47SS..SBendtrans-76125.2-178.3-70.2172.7000111.4L70 Q71 D74L70-L77 HydrophobicContact CB-CD1 4.22Å; Q71-L77 HydrophobicContact CG-CB 3.99Å; Q71-L77 PolarHBondContact NE2-O 2.83Å; D74-L77 HydrophobicContact CB-CD1 3.98Å; D74-L77 HydrophobicContact CB-CG 4.15Å; D74-L77 PolarHBondContact O-N 3.15Å; D74-L77 VanDerWaalsContact O-N 3.16Å
78P65.9Low63.3Low32 Ų3288.1 Ų88.121%0.20848%0.478CS..PPolyproline II helixtrans-64.6152.6-179.8-19.630.7000113.2W67 Q71 L80 Q88 M89W67-P78 PolarHBondContact NE1-O 3.48Å; Q71-P78 PolarHBondContact NE2-O 3.38Å; P78-L80 PolarHBondContact O-N 3.28Å; P78-Q88 HydrophobicContact CB-CB 4.23Å; P78-M89 HydrophobicContact CG-CB 4.28Å
79S64.6Low62.5Low40 Ų4089.4 Ų89.428%0.2848%0.478SS..PPolyproline II helixtrans-63.5131173.856.30000111.7Q71 W81 G85Q71-S79 VanDerWaalsContact NE2-CA 3.28Å; Q71-S79 VanDerWaalsContact NE2-N 3.18Å; S79-W81 PolarHBondContact O-N 2.94Å; S79-G85 VanDerWaalsContact O-CA 3.29Å; S79-G85 WeakPolarHBondContact O-CA 3.29Å; S79-G85 WeakPolarHBondContact OG-CA 3.14Å; S79-G85 PolarHBondContact OG-N 2.88Å
80L61.4Low61.5Low61 Ų6193.5 Ų93.532%0.31949%0.487SS..SBendtrans-66.9-31.2-171.4-150.8139.6000114W67 P78W67-L80 HydrophobicContact CB-CB 4.48Å; W67-L80 HydrophobicContact CB-CD1 3.61Å; W67-L80 HydrophobicContact CD2-CB 4.33Å; W67-L80 HydrophobicContact CD2-CD1 3.28Å; W67-L80 HydrophobicContact CD2-CG 4.27Å; W67-L80 HydrophobicContact CE3-CD1 3.65Å; W67-L80 HydrophobicContact CG-CB 3.86Å; W67-L80 HydrophobicContact CG-CD1 3.27Å; W67-L80 HydrophobicContact CG-CG 4.14Å; W67-L80 HydrophobicContact CZ2-CD1 4.48Å; W67-L80 HydrophobicContact CZ3-CD1 4.38Å; P78-L80 PolarHBondContact O-N 3.28Å
81W59.6Low60.9Low161 Ų16192.9 Ų92.961%0.6149%0.489SS*.SBendtrans-132.8125.2-179.8-61.4105000111.2S79S79-W81 PolarHBondContact O-N 2.94Å
82G56.6Low60.3Low40 Ų4094.1 Ų94.141%0.41250%0.501SS..SBendtrans134.7157.6171.700000113.8H84 G85 V86G82-H84 PolarHBondContact O-N 3.01Å; G82-G85 PolarHBondContact O-N 3.05Å; G82-V86 WeakPolarHBondContact O-CG2 3.44Å
83P56.3Low59.9Low110 Ų11094.7 Ų94.771%0.71450%0.495SS*.Hα-helixtrans-61.7-16.7-178.219.6-28.8000114.2
84H54.1Low59.4Low141 Ų14196.4 Ų96.465%0.65350%0.495SS*.Hα-helixtrans-83.9-25.9175.2-73.541.6000113.3G82 A87 Q88G82-H84 PolarHBondContact O-N 3.01Å; H84-A87 PolarHBondContact O-N 3.45Å; H84-Q88 PolarHBondContact O-N 3.43Å
85G58.3Low59.1Low5 Ų5100.7 Ų100.75%0.05251%0.513CS..Hα-helixtrans-70.8-44.2177.900000112.6S79 G82 A87 Q88 M89S79-G85 VanDerWaalsContact O-CA 3.29Å; S79-G85 WeakPolarHBondContact O-CA 3.29Å; S79-G85 WeakPolarHBondContact OG-CA 3.14Å; S79-G85 PolarHBondContact OG-N 2.88Å; G82-G85 PolarHBondContact O-N 3.05Å; G85-A87 VanDerWaalsContact C-N 3.35Å; G85-Q88 PolarHBondContact O-N 3.07Å; G85-M89 WeakPolarHBondContact O-CB 3.35Å; G85-M89 PolarHBondContact O-N 3.46Å
86V57.7Low58.9Low77 Ų77100.3 Ų100.347%0.46751%0.505SS..Hα-helixtrans-60.9-43.7171.1-1040000110.9G82 Q88 M89 F90G82-V86 WeakPolarHBondContact O-CG2 3.44Å; V86-Q88 PolarHBondContact O-N 3.19Å; V86-M89 PolarHBondContact O-N 3.19Å; V86-F90 HydrophobicContact CB-CD2 4.5Å; V86-F90 HydrophobicContact CB-CE2 4.46Å; V86-F90 HydrophobicContact CG1-CE2 4.45Å; V86-F90 WeakPolarHBondContact O-CD2 3.5Å; V86-F90 PolarHBondContact O-N 3.35Å
87A59.7Low59.6Low60 Ų6094.8 Ų94.850%0.49649%0.491SS..Hα-helixtrans-63.8-39178.300000113.5H84 G85 S91H84-A87 PolarHBondContact O-N 3.45Å; G85-A87 VanDerWaalsContact C-N 3.35Å; A87-S91 PolarHBondContact O-N 3.38Å
88Q59.6Low60.5Low97 Ų9798 Ų9845%0.45350%0.504SS..Hα-helixtrans-71.2-38.7174.5-78.9178.124.100112.5P78 H84 G85 V86 F90 S91 V92P78-Q88 HydrophobicContact CB-CB 4.23Å; H84-Q88 PolarHBondContact O-N 3.43Å; G85-Q88 PolarHBondContact O-N 3.07Å; V86-Q88 PolarHBondContact O-N 3.19Å; Q88-F90 VanDerWaalsContact C-N 3.34Å; Q88-F90 PolarHBondContact O-N 2.89Å; Q88-S91 CarbonylContact O-C 3.57Å; Q88-S91 WeakPolarHBondContact O-CA 3.33Å; Q88-S91 WeakPolarHBondContact O-CB 3.5Å; Q88-S91 PolarHBondContact O-N 3.03Å; Q88-V92 WeakPolarHBondContact O-CG2 3.45Å; Q88-V92 PolarHBondContact O-N 2.92Å
89M57.8Low61.2Low99 Ų99102.8 Ų102.849%0.48853%0.527SS..Hα-helixtrans-59.4-44.7172.3-178.7-172.5153.600111.3P78 G85 V86 S91 V92 M93P78-M89 HydrophobicContact CG-CB 4.28Å; G85-M89 WeakPolarHBondContact O-CB 3.35Å; G85-M89 PolarHBondContact O-N 3.46Å; V86-M89 PolarHBondContact O-N 3.19Å; M89-S91 VanDerWaalsContact C-N 3.26Å; M89-S91 PolarHBondContact O-N 2.99Å; M89-V92 PolarHBondContact O-N 3.34Å; M89-M93 HydrophobicContact CE-SD 4.11Å; M89-M93 WeakPolarHBondContact O-CB 3.02Å; M89-M93 PolarHBondContact O-N 3.39Å
90F57.7Low62.3Low136 Ų136103 Ų10360%0.59653%0.532SS*.Hα-helixtrans-63.7-29.5172.2-79.9-66.9000112.9V86 Q88 K94V86-F90 HydrophobicContact CB-CD2 4.5Å; V86-F90 HydrophobicContact CB-CE2 4.46Å; V86-F90 HydrophobicContact CG1-CE2 4.45Å; V86-F90 WeakPolarHBondContact O-CD2 3.5Å; V86-F90 PolarHBondContact O-N 3.35Å; Q88-F90 VanDerWaalsContact C-N 3.34Å; Q88-F90 PolarHBondContact O-N 2.89Å; F90-K94 WeakPolarHBondContact O-CB 3.31Å; F90-K94 PolarHBondContact O-N 2.98Å
91S59.4Low63.6Low74 Ų74103.6 Ų103.652%0.51754%0.538SS..Hα-helixtrans-73.3-39.1175.8-168.60000112.7A87 Q88 M89 K94 E95A87-S91 PolarHBondContact O-N 3.38Å; Q88-S91 CarbonylContact O-C 3.57Å; Q88-S91 WeakPolarHBondContact O-CA 3.33Å; Q88-S91 WeakPolarHBondContact O-CB 3.5Å; Q88-S91 PolarHBondContact O-N 3.03Å; M89-S91 VanDerWaalsContact C-N 3.26Å; M89-S91 PolarHBondContact O-N 2.99Å; S91-K94 WeakPolarHBondContact O-CB 3.33Å; S91-K94 PolarHBondContact O-N 3Å; S91-E95 PolarHBondContact O-N 3.48Å
92V56.8Low65.1Low79 Ų79100.2 Ų100.248%0.47953%0.532SS..Hα-helixtrans-71-40.3176.5175.20000110.7Q88 M89 K94 E95 Y96Q88-V92 WeakPolarHBondContact O-CG2 3.45Å; Q88-V92 PolarHBondContact O-N 2.92Å; M89-V92 PolarHBondContact O-N 3.34Å; V92-K94 PolarHBondContact O-N 2.91Å; V92-E95 PolarHBondContact O-N 3.47Å; V92-E95 VanDerWaalsContact O-N 3.07Å; V92-Y96 PolarHBondContact O-N 3.26Å
93M56.5Low66.8Low99 Ų99104.2 Ų104.249%0.48854%0.539SS..THydrogen-bonded Turntrans-62.4-18.3169.1-85.3177.96600113.5M89M89-M93 HydrophobicContact CE-SD 4.11Å; M89-M93 WeakPolarHBondContact O-CB 3.02Å; M89-M93 PolarHBondContact O-N 3.39Å
94K57.5Low68.7Low183 Ų183105.6 Ų105.680%0.79654%0.536SS*.THydrogen-bonded Turntrans-83.8-17.4176-158.8176.2-178.7-178.40112.6F90 S91 V92F90-K94 WeakPolarHBondContact O-CB 3.31Å; F90-K94 PolarHBondContact O-N 2.98Å; S91-K94 WeakPolarHBondContact O-CB 3.33Å; S91-K94 PolarHBondContact O-N 3Å; V92-K94 PolarHBondContact O-N 2.91Å
95E55.5Low70.6Confident167 Ų167102.8 Ų102.878%0.7853%0.525SS*.THydrogen-bonded Turntrans-91.8-24.3-178.2-149.7171.3-158.600112S91 V92S91-E95 PolarHBondContact O-N 3.48Å; V92-E95 PolarHBondContact O-N 3.47Å; V92-E95 VanDerWaalsContact O-N 3.07Å
96Y60.9Low72.5Confident179 Ų179107.6 Ų107.670%0.70255%0.546SS*.SBendtrans-111.699.3164.4-102.3-99.7000108.9V92 E98V92-Y96 PolarHBondContact O-N 3.26Å; Y96-E98 PolarHBondContact O-N 3.02Å
97D76Confident74.4Confident96 Ų96109.1 Ų109.151%0.51355%0.548SS..  trans-74.476.9172.2-168.4-0.7000109.5L99 A100 V101D97-L99 PolarHBondContact O-N 3.16Å; D97-L99 VanDerWaalsContact O-N 3.16Å; D97-L99 WeakPolarHBondContact OD1-CB 3.42Å; D97-L99 PolarHBondContact OD1-N 3.21Å; D97-A100 HydrophobicContact CB-CB 3.95Å; D97-A100 WeakPolarHBondContact O-CB 3.48Å; D97-A100 PolarHBondContact O-N 2.84Å; D97-A100 PolarHBondContact OD1-N 2.96Å; D97-A100 WeakPolarHBondContact OD2-CB 3.29Å; D97-V101 PolarHBondContact O-N 3.07Å
98E78.8Confident76.2Confident121 Ų121111.4 Ų111.457%0.56555%0.548SS*.Hα-helixtrans-54.7-29.9178.3-65.8179.7167.400111.7Y96 V101 L102Y96-E98 PolarHBondContact O-N 3.02Å; E98-V101 PolarHBondContact O-N 3.47Å; E98-L102 VanDerWaalsContact O-CG 3.29Å; E98-L102 WeakPolarHBondContact O-CG 3.33Å; E98-L102 PolarHBondContact O-N 3.12Å
99L81Confident78Confident133 Ų133111.2 Ų111.270%0.69655%0.55SS**Hα-helixtrans-69-40.2176.4-64.7173.5000111.7D97 V101 L102 E103D97-L99 PolarHBondContact O-N 3.16Å; D97-L99 VanDerWaalsContact O-N 3.16Å; D97-L99 WeakPolarHBondContact OD1-CB 3.42Å; D97-L99 PolarHBondContact OD1-N 3.21Å; L99-V101 VanDerWaalsContact C-N 3.35Å; L99-L102 PolarHBondContact O-N 3.07Å; L99-E103 WeakPolarHBondContact O-CB 3.45Å; L99-E103 PolarHBondContact O-N 3.33Å
100A87.3Confident79.9Confident46 Ų46110.7 Ų110.738%0.3855%0.548SS..Hα-helixtrans-64.3-39.2175.800000112.3D97 E103 E104D97-A100 HydrophobicContact CB-CB 3.95Å; D97-A100 WeakPolarHBondContact O-CB 3.48Å; D97-A100 PolarHBondContact O-N 2.84Å; D97-A100 PolarHBondContact OD1-N 2.96Å; D97-A100 WeakPolarHBondContact OD2-CB 3.29Å; A100-E103 PolarHBondContact O-N 3.33Å; A100-E104 PolarHBondContact O-N 3.26Å
101V88.8Confident81.9Confident73 Ų73107.1 Ų107.144%0.44254%0.541SS..Hα-helixtrans-65.5-42.7176.41780000111.1D97 E98 L99 E103 E104 I105D97-V101 PolarHBondContact O-N 3.07Å; E98-V101 PolarHBondContact O-N 3.47Å; L99-V101 VanDerWaalsContact C-N 3.35Å; V101-E103 VanDerWaalsContact C-N 3.35Å; V101-E104 PolarHBondContact O-N 3.47Å; V101-I105 HydrophobicContact CG1-CD1 4.03Å; V101-I105 VanDerWaalsContact O-CG1 3.31Å; V101-I105 WeakPolarHBondContact O-CG1 3.42Å; V101-I105 PolarHBondContact O-N 3.37Å; V101-I105 VanDerWaalsContact O-N 3.07Å
102L89.8Confident83.7Confident90 Ų90108 Ų10847%0.47154%0.537SS..Hα-helixtrans-64-41.2175.8-71171.9000111.5E98 L99 E104 I105 H106E98-L102 VanDerWaalsContact O-CG 3.29Å; E98-L102 WeakPolarHBondContact O-CG 3.33Å; E98-L102 PolarHBondContact O-N 3.12Å; L99-L102 PolarHBondContact O-N 3.07Å; L102-E104 PolarHBondContact O-N 3.39Å; L102-I105 PolarHBondContact O-N 3.29Å; L102-H106 WeakPolarHBondContact O-CB 3.42Å; L102-H106 PolarHBondContact O-CD2 3.37Å; L102-H106 PolarHBondContact O-N 2.93Å
103E93.6Very high85.7Confident123 Ų123110.1 Ų110.158%0.57554%0.541SS*.Hα-helixtrans-62.2-41.5176.7-171.663.4-158.300111.8L99 A100 V101 H106 Q107L99-E103 WeakPolarHBondContact O-CB 3.45Å; L99-E103 PolarHBondContact O-N 3.33Å; A100-E103 PolarHBondContact O-N 3.33Å; V101-E103 VanDerWaalsContact C-N 3.35Å; E103-H106 PolarHBondContact O-N 2.94Å; E103-Q107 WeakPolarHBondContact O-CB 3.32Å; E103-Q107 PolarHBondContact O-N 3Å
104E95.3Very high87.6Confident140 Ų140110.8 Ų110.865%0.65454%0.544SS*.Hα-helixtrans-61.1-46.7175-174.8178.2-176.700111.6A100 V101 L102 H106 Q107 E108A100-E104 PolarHBondContact O-N 3.26Å; V101-E104 PolarHBondContact O-N 3.47Å; L102-E104 PolarHBondContact O-N 3.39Å; E104-H106 VanDerWaalsContact C-N 3.35Å; E104-H106 PolarHBondContact O-N 3.5Å; E104-Q107 PolarHBondContact O-N 2.99Å; E104-E108 PolarHBondContact O-N 3.5Å
105I95.4Very high89.6Confident82 Ų82105.2 Ų105.242%0.42153%0.529SS..Hα-helixtrans-62.2-43.4176.6-66.4166000110.7V101 L102 Q107 E108 L109V101-I105 HydrophobicContact CG1-CD1 4.03Å; V101-I105 VanDerWaalsContact O-CG1 3.31Å; V101-I105 WeakPolarHBondContact O-CG1 3.42Å; V101-I105 PolarHBondContact O-N 3.37Å; V101-I105 VanDerWaalsContact O-N 3.07Å; L102-I105 PolarHBondContact O-N 3.29Å; I105-Q107 VanDerWaalsContact C-N 3.33Å; I105-Q107 PolarHBondContact O-N 3.42Å; I105-E108 PolarHBondContact O-N 2.86Å; I105-L109 HydrophobicContact CG2-CD1 4.08Å; I105-L109 HydrophobicContact CG2-CG 4.48Å; I105-L109 WeakPolarHBondContact O-CG 3.5Å; I105-L109 PolarHBondContact O-N 3.05Å
106H96.5Very high91.6Very high106 Ų106102.7 Ų102.749%0.49152%0.519SS..Hα-helixtrans-60.7-43.3176.6-84.6-66.4000111.6L102 E103 E104 L109 I110L102-H106 WeakPolarHBondContact O-CB 3.42Å; L102-H106 PolarHBondContact O-CD2 3.37Å; L102-H106 PolarHBondContact O-N 2.93Å; E103-H106 PolarHBondContact O-N 2.94Å; E104-H106 VanDerWaalsContact C-N 3.35Å; E104-H106 PolarHBondContact O-N 3.5Å; H106-L109 PolarHBondContact O-N 3.37Å; H106-I110 VanDerWaalsContact O-CG1 3.3Å; H106-I110 WeakPolarHBondContact O-CG1 3.49Å; H106-I110 PolarHBondContact O-N 2.95Å
107Q97.7Very high93.4Very high108 Ų10897.6 Ų97.651%0.50550%0.503SS..Hα-helixtrans-66.2-37.9178.7-171.557.476.700112.2E103 E104 I105 S111E103-Q107 WeakPolarHBondContact O-CB 3.32Å; E103-Q107 PolarHBondContact O-N 3Å; E104-Q107 PolarHBondContact O-N 2.99Å; I105-Q107 VanDerWaalsContact C-N 3.33Å; I105-Q107 PolarHBondContact O-N 3.42Å; Q107-S111 WeakPolarHBondContact O-CB 3.45Å; Q107-S111 PolarHBondContact O-N 2.92Å
108E97.8Very high94.4Very high108 Ų10896.6 Ų96.651%0.50550%0.498SS..Hα-helixtrans-63.1-47.6173.6-170.5-177.4165.900111E104 I105 I110 S111 Q112E104-E108 PolarHBondContact O-N 3.5Å; I105-E108 PolarHBondContact O-N 2.86Å; E108-I110 PolarHBondContact O-N 3.21Å; E108-S111 WeakPolarHBondContact O-CB 3.47Å; E108-S111 PolarHBondContact O-N 3.44Å; E108-S111 VanDerWaalsContact O-N 3.09Å; E108-S111 PolarHBondContact O-OG 2.98Å; E108-Q112 WeakPolarHBondContact O-CG 3.46Å; E108-Q112 PolarHBondContact O-N 3.09Å; E108-Q112 PolarHBondContact OE1-NE2 3.48Å; E108-Q112 VanDerWaalsContact OE1-NE2 3.12Å
109L98.2Very high95.3Very high94 Ų9496.5 Ų96.549%0.49250%0.497SS..Hα-helixtrans-59.5-44.8178.5-73170.4000112.2I105 H106 S111 Q112 E113I105-L109 HydrophobicContact CG2-CD1 4.08Å; I105-L109 HydrophobicContact CG2-CG 4.48Å; I105-L109 WeakPolarHBondContact O-CG 3.5Å; I105-L109 PolarHBondContact O-N 3.05Å; H106-L109 PolarHBondContact O-N 3.37Å; L109-S111 VanDerWaalsContact C-N 3.29Å; L109-S111 PolarHBondContact O-N 3.25Å; L109-Q112 PolarHBondContact O-N 3.42Å; L109-E113 PolarHBondContact O-N 3.33Å
110I98.1Very high96.1Very high87 Ų8797.5 Ų97.545%0.44649%0.493SS..Hα-helixtrans-60.9-42.2175.6-67.8165.5000110.3H106 E108 Q112 E113 M114H106-I110 VanDerWaalsContact O-CG1 3.3Å; H106-I110 WeakPolarHBondContact O-CG1 3.49Å; H106-I110 PolarHBondContact O-N 2.95Å; E108-I110 PolarHBondContact O-N 3.21Å; I110-Q112 VanDerWaalsContact C-N 3.32Å; I110-Q112 PolarHBondContact O-N 3.01Å; I110-E113 PolarHBondContact O-N 3.01Å; I110-M114 HydrophobicContact CG2-CG 4.41Å; I110-M114 WeakPolarHBondContact O-CB 3.37Å; I110-M114 VanDerWaalsContact O-CG 3.31Å; I110-M114 WeakPolarHBondContact O-CG 3.3Å; I110-M114 PolarHBondContact O-N 2.78Å
111S98.1Very high96.7Very high62 Ų62100.3 Ų100.343%0.43450%0.498SS..Hα-helixtrans-64-38178.878.70000112.5Q107 E108 L109 S115Q107-S111 WeakPolarHBondContact O-CB 3.45Å; Q107-S111 PolarHBondContact O-N 2.92Å; E108-S111 WeakPolarHBondContact O-CB 3.47Å; E108-S111 PolarHBondContact O-N 3.44Å; E108-S111 VanDerWaalsContact O-N 3.09Å; E108-S111 PolarHBondContact O-OG 2.98Å; L109-S111 VanDerWaalsContact C-N 3.29Å; L109-S111 PolarHBondContact O-N 3.25Å; S111-S115 WeakPolarHBondContact O-CB 3.48Å; S111-S115 PolarHBondContact O-N 2.64Å
112Q97.9Very high97.1Very high93 Ų93101.8 Ų101.844%0.43550%0.496SS..Hα-helixtrans-67.6-44.7176.4-70.6179.24.300111.2E108 L109 I110 M114 S115 I116E108-Q112 WeakPolarHBondContact O-CG 3.46Å; E108-Q112 PolarHBondContact O-N 3.09Å; E108-Q112 PolarHBondContact OE1-NE2 3.48Å; E108-Q112 VanDerWaalsContact OE1-NE2 3.12Å; L109-Q112 PolarHBondContact O-N 3.42Å; I110-Q112 VanDerWaalsContact C-N 3.32Å; I110-Q112 PolarHBondContact O-N 3.01Å; Q112-M114 PolarHBondContact O-N 3.41Å; Q112-S115 WeakPolarHBondContact O-CB 3.42Å; Q112-S115 PolarHBondContact O-N 3.35Å; Q112-I116 WeakPolarHBondContact O-CG1 3.49Å; Q112-I116 PolarHBondContact O-N 2.88Å
113E98.1Very high97.5Very high122 Ų122101.3 Ų101.357%0.5749%0.494SS*.Hα-helixtrans-59.5-46.9176.3-174.1174.3-171.600111.3L109 I110 S115 I116 I117L109-E113 PolarHBondContact O-N 3.33Å; I110-E113 PolarHBondContact O-N 3.01Å; E113-S115 VanDerWaalsContact C-N 3.31Å; E113-S115 PolarHBondContact O-N 3.04Å; E113-I116 PolarHBondContact O-N 2.92Å; E113-I117 HydrophobicContact CG-CD1 4.16Å; E113-I117 WeakPolarHBondContact O-CG1 3.45Å; E113-I117 PolarHBondContact O-N 3.39Å
114M98.1Very high97.7Very high113 Ų11399.3 Ų99.356%0.55749%0.487SS*.Hα-helixtrans-60.6-39.6176-73.4-58.6-47.700112.5I110 Q112 I117 D118I110-M114 HydrophobicContact CG2-CG 4.41Å; I110-M114 WeakPolarHBondContact O-CB 3.37Å; I110-M114 VanDerWaalsContact O-CG 3.31Å; I110-M114 WeakPolarHBondContact O-CG 3.3Å; I110-M114 PolarHBondContact O-N 2.78Å; Q112-M114 PolarHBondContact O-N 3.41Å; M114-I117 PolarHBondContact O-N 3.19Å; M114-D118 WeakPolarHBondContact O-CB 3.45Å; M114-D118 PolarHBondContact O-N 3.42Å
115S98.1Very high97.8Very high67 Ų6797.6 Ų97.647%0.46948%0.479SS..Hα-helixtrans-65-38.1176.5-175.60000112.5S111 Q112 E113 E119S111-S115 WeakPolarHBondContact O-CB 3.48Å; S111-S115 PolarHBondContact O-N 2.64Å; Q112-S115 WeakPolarHBondContact O-CB 3.42Å; Q112-S115 PolarHBondContact O-N 3.35Å; E113-S115 VanDerWaalsContact C-N 3.31Å; E113-S115 PolarHBondContact O-N 3.04Å; S115-E119 WeakPolarHBondContact O-CB 3.38Å; S115-E119 PolarHBondContact O-N 3.41Å
116I98Very high97.9Very high114 Ų11499.7 Ų99.759%0.58549%0.485SS*.Hα-helixtrans-65.9-44.3177.1-68.5164.3000110.1Q112 E113 E119 Y120Q112-I116 WeakPolarHBondContact O-CG1 3.49Å; Q112-I116 PolarHBondContact O-N 2.88Å; E113-I116 PolarHBondContact O-N 2.92Å; I116-E119 PolarHBondContact O-N 3.03Å; I116-Y120 WeakPolarHBondContact O-CB 3.48Å; I116-Y120 PolarHBondContact O-N 3.03Å
117I98.1Very high97.9Very high71 Ų7199.6 Ų99.636%0.36449%0.485SS..Hα-helixtrans-61.9-47.2177.8-65.9167.3000110.4E113 M114 E119 Y120 E121E113-I117 HydrophobicContact CG-CD1 4.16Å; E113-I117 WeakPolarHBondContact O-CG1 3.45Å; E113-I117 PolarHBondContact O-N 3.39Å; M114-I117 PolarHBondContact O-N 3.19Å; I117-E119 VanDerWaalsContact C-N 3.35Å; I117-E119 PolarHBondContact O-N 2.88Å; I117-Y120 WeakPolarHBondContact O-CB 3.44Å; I117-Y120 PolarHBondContact O-N 3.19Å; I117-E121 HydrophobicContact CG2-CG 4.37Å; I117-E121 WeakPolarHBondContact O-CG 3.31Å; I117-E121 PolarHBondContact O-N 3.01Å
118D98.3Very high97.7Very high75 Ų75100.8 Ų100.840%0.40149%0.49SS..Hα-helixtrans-62.1-39.7179.1178.472.9000112.5M114 E121 R122M114-D118 WeakPolarHBondContact O-CB 3.45Å; M114-D118 PolarHBondContact O-N 3.42Å; D118-E121 PolarHBondContact O-N 2.96Å; D118-R122 WeakPolarHBondContact O-CB 3.05Å; D118-R122 WeakPolarHBondContact O-CG 3.42Å; D118-R122 PolarHBondContact O-N 3.33Å; D118-R122 PolarHBondContact O-NE 3.16Å; D118-R122 IonicContact OD2-CZ 3.24Å; D118-R122 VanDerWaalsContact OD2-CZ 3.23Å; D118-R122 IonicContact OD2-NE 2.78Å; D118-R122 PolarHBondContact OD2-NE 3Å; D118-R122 IonicContact OD2-NH2 3.23Å; D118-R122 PolarHBondContact OD2-NH2 3.26Å
119E97.9Very high97.5Very high119 Ų119101.2 Ų101.256%0.55649%0.492SS*.Hα-helixtrans-63.1-43.8174-174.3179.5177.500112.1S115 I116 I117 R122 N123S115-E119 WeakPolarHBondContact O-CB 3.38Å; S115-E119 PolarHBondContact O-N 3.41Å; I116-E119 PolarHBondContact O-N 3.03Å; I117-E119 VanDerWaalsContact C-N 3.35Å; I117-E119 PolarHBondContact O-N 2.88Å; E119-R122 PolarHBondContact O-N 2.97Å; E119-N123 PolarHBondContact O-N 3.41Å
120Y98Very high97.3Very high154 Ų154104.5 Ų104.560%0.60450%0.499SS*.Hα-helixtrans-62.3-46.1176.9179.2-95.2000111.8I116 I117 R122 N123 L124I116-Y120 WeakPolarHBondContact O-CB 3.48Å; I116-Y120 PolarHBondContact O-N 3.03Å; I117-Y120 WeakPolarHBondContact O-CB 3.44Å; I117-Y120 PolarHBondContact O-N 3.19Å; Y120-R122 VanDerWaalsContact C-N 3.35Å; Y120-R122 PolarHBondContact O-N 3.38Å; Y120-N123 PolarHBondContact O-N 3.48Å; Y120-L124 PolarHBondContact O-N 2.8Å
121E98.1Very high97Very high105 Ų105105.4 Ų105.449%0.49150%0.504SS..Hα-helixtrans-62.4-41.5177.7-73.1-176.9175.600111.8I117 D118 L124 Q125I117-E121 HydrophobicContact CG2-CG 4.37Å; I117-E121 WeakPolarHBondContact O-CG 3.31Å; I117-E121 PolarHBondContact O-N 3.01Å; D118-E121 PolarHBondContact O-N 2.96Å; E121-L124 PolarHBondContact O-N 3.37Å; E121-Q125 VanDerWaalsContact O-CG 3.3Å; E121-Q125 WeakPolarHBondContact O-CG 3.38Å; E121-Q125 PolarHBondContact O-N 2.92Å
122R97.9Very high96.6Very high105 Ų105105 Ų10540%0.39650%0.501SS..Hα-helixtrans-60.9-44.7172.8-79.2-174.1-81.3107.2-3.2111.9D118 E119 Y120 L124 Q125 F126D118-R122 WeakPolarHBondContact O-CB 3.05Å; D118-R122 WeakPolarHBondContact O-CG 3.42Å; D118-R122 PolarHBondContact O-N 3.33Å; D118-R122 PolarHBondContact O-NE 3.16Å; D118-R122 IonicContact OD2-CZ 3.24Å; D118-R122 VanDerWaalsContact OD2-CZ 3.23Å; D118-R122 IonicContact OD2-NE 2.78Å; D118-R122 PolarHBondContact OD2-NE 3Å; D118-R122 IonicContact OD2-NH2 3.23Å; D118-R122 PolarHBondContact OD2-NH2 3.26Å; E119-R122 PolarHBondContact O-N 2.97Å; Y120-R122 VanDerWaalsContact C-N 3.35Å; Y120-R122 PolarHBondContact O-N 3.38Å; R122-L124 VanDerWaalsContact C-N 3.34Å; R122-L124 PolarHBondContact O-N 3.48Å; R122-Q125 PolarHBondContact O-N 2.86Å; R122-F126 HydrophobicContact CB-CE2 4.42Å; R122-F126 WeakPolarHBondContact O-CD2 3.5Å; R122-F126 PolarHBondContact O-N 3.4Å
123N97.8Very high96.1Very high79 Ų79103.6 Ų103.642%0.42250%0.502SS..Hα-helixtrans-62.3-43177.9-170.160.2000111.7E119 Y120 Q125 F126 E127E119-N123 PolarHBondContact O-N 3.41Å; Y120-N123 PolarHBondContact O-N 3.48Å; N123-Q125 VanDerWaalsContact C-N 3.31Å; N123-Q125 PolarHBondContact O-N 3.47Å; N123-F126 PolarHBondContact O-N 2.97Å; N123-F126 VanDerWaalsContact O-N 3.16Å; N123-E127 PolarHBondContact ND2-OE1 3.47Å; N123-E127 WeakPolarHBondContact O-CG 3.4Å; N123-E127 PolarHBondContact O-N 3.47Å
124L97.9Very high95.5Very high82 Ų82101.1 Ų101.143%0.42950%0.495SS..Hα-helixtrans-59.6-42.6175.7-164.490.9000111.6Y120 E121 R122 E127 Q128Y120-L124 PolarHBondContact O-N 2.8Å; E121-L124 PolarHBondContact O-N 3.37Å; R122-L124 VanDerWaalsContact C-N 3.34Å; R122-L124 PolarHBondContact O-N 3.48Å; L124-E127 PolarHBondContact O-N 2.95Å; L124-Q128 WeakPolarHBondContact O-CB 3.38Å; L124-Q128 PolarHBondContact O-N 2.93Å
125Q97.4Very high94.7Very high104 Ų10499.9 Ų99.949%0.48649%0.493SS..Hα-helixtrans-62.8-41.2175.8-72.1172.51900111.8E121 R122 N123 Q128 Q129E121-Q125 VanDerWaalsContact O-CG 3.3Å; E121-Q125 WeakPolarHBondContact O-CG 3.38Å; E121-Q125 PolarHBondContact O-N 2.92Å; R122-Q125 PolarHBondContact O-N 2.86Å; N123-Q125 VanDerWaalsContact C-N 3.31Å; N123-Q125 PolarHBondContact O-N 3.47Å; Q125-Q128 PolarHBondContact O-N 3.41Å; Q125-Q129 WeakPolarHBondContact O-CB 3.2Å; Q125-Q129 VanDerWaalsContact O-CG 3.24Å; Q125-Q129 WeakPolarHBondContact O-CG 3.41Å; Q125-Q129 PolarHBondContact O-N 3.22Å
126F97.1Very high93.8Very high126 Ų126102.8 Ų102.855%0.55350%0.499SS*.Hα-helixtrans-64.1-43.8175.5-73.5-57.6000112.4R122 N123 Q128 Q129 Y130R122-F126 HydrophobicContact CB-CE2 4.42Å; R122-F126 WeakPolarHBondContact O-CD2 3.5Å; R122-F126 PolarHBondContact O-N 3.4Å; N123-F126 PolarHBondContact O-N 2.97Å; N123-F126 VanDerWaalsContact O-N 3.16Å; F126-Q128 VanDerWaalsContact C-N 3.33Å; F126-Q128 PolarHBondContact O-N 3.36Å; F126-Q129 PolarHBondContact O-N 2.9Å; F126-Y130 WeakPolarHBondContact O-CB 3.42Å; F126-Y130 PolarHBondContact O-N 3.2Å
127E96.6Very high92.3Very high103 Ų103100.6 Ų100.648%0.48151%0.505SS..Hα-helixtrans-61.1-43.9175.8-73.1179.7-171.400111.4N123 L124 Y130 I131N123-E127 PolarHBondContact ND2-OE1 3.47Å; N123-E127 WeakPolarHBondContact O-CG 3.4Å; N123-E127 PolarHBondContact O-N 3.47Å; L124-E127 PolarHBondContact O-N 2.95Å; E127-Y130 PolarHBondContact O-N 3.38Å; E127-I131 WeakPolarHBondContact O-CG1 3.4Å; E127-I131 PolarHBondContact O-N 3.32Å
128Q95.3Very high90.9Very high133 Ų133103.5 Ų103.562%0.62152%0.519SS*.Hα-helixtrans-63-44.6176.6-175.7174.910.300111.9L124 Q125 F126 Y130 I131 S132L124-Q128 WeakPolarHBondContact O-CB 3.38Å; L124-Q128 PolarHBondContact O-N 2.93Å; Q125-Q128 PolarHBondContact O-N 3.41Å; F126-Q128 VanDerWaalsContact C-N 3.33Å; F126-Q128 PolarHBondContact O-N 3.36Å; Q128-Y130 VanDerWaalsContact C-N 3.33Å; Q128-Y130 PolarHBondContact O-N 3.23Å; Q128-I131 PolarHBondContact O-N 2.88Å; Q128-S132 WeakPolarHBondContact O-CB 3.3Å; Q128-S132 PolarHBondContact O-N 2.85Å
129Q93.6Very high89Confident117 Ų117107.4 Ų107.455%0.54754%0.539SS..Hα-helixtrans-62.5-41.4176.3-75.5173.24.100111.6Q125 F126 S132 S133Q125-Q129 WeakPolarHBondContact O-CB 3.2Å; Q125-Q129 VanDerWaalsContact O-CG 3.24Å; Q125-Q129 WeakPolarHBondContact O-CG 3.41Å; Q125-Q129 PolarHBondContact O-N 3.22Å; F126-Q129 PolarHBondContact O-N 2.9Å; Q129-S132 PolarHBondContact O-N 3.02Å; Q129-S133 WeakPolarHBondContact O-CB 3.32Å; Q129-S133 PolarHBondContact O-N 2.71Å; Q129-S133 PolarHBondContact O-OG 2.93Å
130Y93.1Very high87.5Confident164 Ų164108.2 Ų108.264%0.64354%0.544SS*.Hα-helixtrans-59.5-51.1174.9174.7-100.8000111F126 E127 Q128 S132 S133 V134F126-Y130 WeakPolarHBondContact O-CB 3.42Å; F126-Y130 PolarHBondContact O-N 3.2Å; E127-Y130 PolarHBondContact O-N 3.38Å; Q128-Y130 VanDerWaalsContact C-N 3.33Å; Q128-Y130 PolarHBondContact O-N 3.23Å; Y130-S132 VanDerWaalsContact C-N 3.35Å; Y130-S132 PolarHBondContact O-N 3.43Å; Y130-S133 PolarHBondContact O-N 3.5Å; Y130-S133 PolarHBondContact O-OG 2.89Å; Y130-V134 HydrophobicContact CE1-CG2 4.16Å; Y130-V134 HydrophobicContact CE2-CG2 4.2Å; Y130-V134 WeakPolarHBondContact O-CG2 3.42Å; Y130-V134 PolarHBondContact O-N 3.41Å
131I92.4Very high86Confident105 Ų105108.8 Ų108.854%0.53855%0.553SS.*Hα-helixtrans-59.2-46.3177.1-67167.5000110.7E127 Q128 S133 V134 V135E127-I131 WeakPolarHBondContact O-CG1 3.4Å; E127-I131 PolarHBondContact O-N 3.32Å; Q128-I131 PolarHBondContact O-N 2.88Å; I131-S133 VanDerWaalsContact C-N 3.33Å; I131-S133 PolarHBondContact O-N 3.36Å; I131-V134 PolarHBondContact O-N 3Å; I131-V135 HydrophobicContact CG2-CG2 4.3Å; I131-V135 VanDerWaalsContact O-CG2 3.32Å; I131-V135 WeakPolarHBondContact O-CG2 3.24Å; I131-V135 PolarHBondContact O-N 3.36Å
132S89Confident85.2Confident54 Ų54108.2 Ų108.238%0.37855%0.551SS.*Hα-helixtrans-56.8-46.5177.5-162.70000111.3Q128 Q129 Y130 V134 V135 E136Q128-S132 WeakPolarHBondContact O-CB 3.3Å; Q128-S132 PolarHBondContact O-N 2.85Å; Q129-S132 PolarHBondContact O-N 3.02Å; Y130-S132 VanDerWaalsContact C-N 3.35Å; Y130-S132 PolarHBondContact O-N 3.43Å; S132-V134 VanDerWaalsContact C-N 3.34Å; S132-V134 PolarHBondContact O-N 3.29Å; S132-V135 PolarHBondContact O-N 2.95Å; S132-E136 WeakPolarHBondContact O-CB 3.27Å; S132-E136 VanDerWaalsContact O-CG 3.32Å; S132-E136 WeakPolarHBondContact O-CG 3.35Å; S132-E136 PolarHBondContact O-N 2.99Å; S132-E136 PolarHBondContact OG-OE1 2.82Å
133S88.1Confident84.7Confident64 Ų64103.7 Ų103.745%0.44853%0.534SS..Hα-helixtrans-64.3-36.5179.671.80000113.2Q129 Y130 I131 G137Q129-S133 WeakPolarHBondContact O-CB 3.32Å; Q129-S133 PolarHBondContact O-N 2.71Å; Q129-S133 PolarHBondContact O-OG 2.93Å; Y130-S133 PolarHBondContact O-N 3.5Å; Y130-S133 PolarHBondContact O-OG 2.89Å; I131-S133 VanDerWaalsContact C-N 3.33Å; I131-S133 PolarHBondContact O-N 3.36Å; S133-G137 PolarHBondContact O-N 3.23Å; S133-G137 VanDerWaalsContact O-N 3.17Å
134V84.4Confident84.3Confident69 Ų69104.9 Ų104.942%0.41854%0.54SS..Hα-helixtrans-66.9-42.6174.6172.80000110.4Y130 I131 S132 G137 M138Y130-V134 HydrophobicContact CE1-CG2 4.16Å; Y130-V134 HydrophobicContact CE2-CG2 4.2Å; Y130-V134 WeakPolarHBondContact O-CG2 3.42Å; Y130-V134 PolarHBondContact O-N 3.41Å; I131-V134 PolarHBondContact O-N 3Å; S132-V134 VanDerWaalsContact C-N 3.34Å; S132-V134 PolarHBondContact O-N 3.29Å; V134-G137 PolarHBondContact O-N 3.49Å; V134-M138 WeakPolarHBondContact O-CG 3.32Å
135V82.6Confident84Confident88 Ų88101 Ų10153%0.53352%0.519SS..Hα-helixtrans-68-41.8178.7172.80000111.8I131 S132 G137 M138I131-V135 HydrophobicContact CG2-CG2 4.3Å; I131-V135 VanDerWaalsContact O-CG2 3.32Å; I131-V135 WeakPolarHBondContact O-CG2 3.24Å; I131-V135 PolarHBondContact O-N 3.36Å; S132-V135 PolarHBondContact O-N 2.95Å; V135-G137 PolarHBondContact O-N 3.04Å; V135-M138 WeakPolarHBondContact O-CA 3.5Å; V135-M138 WeakPolarHBondContact O-CB 3.43Å; V135-M138 PolarHBondContact O-N 3.42Å
136E79.3Confident83.7Confident127 Ų12796.9 Ų96.959%0.59350%0.501SS*.Hα-helixtrans-60.5-32.1174.3-75.3166.3-14700111.7S132 M138S132-E136 WeakPolarHBondContact O-CB 3.27Å; S132-E136 VanDerWaalsContact O-CG 3.32Å; S132-E136 WeakPolarHBondContact O-CG 3.35Å; S132-E136 PolarHBondContact O-N 2.99Å; S132-E136 PolarHBondContact OG-OE1 2.82Å; E136-M138 PolarHBondContact O-N 3.47Å
137G66.3Low83.4Confident68 Ų6894.1 Ų94.170%0.70149%0.492SS*.THydrogen-bonded Turntrans-69-8.4172.100000115S133 V134 V135S133-G137 PolarHBondContact O-N 3.23Å; S133-G137 VanDerWaalsContact O-N 3.17Å; V134-G137 PolarHBondContact O-N 3.49Å; V135-G137 PolarHBondContact O-N 3.04Å
138M67.6Low83.1Confident132 Ų13290.9 Ų90.965%0.6548%0.48SS*.THydrogen-bonded Turntrans-9833.5179-58.7177.865.200112.4V134 V135 E136 E140V134-M138 WeakPolarHBondContact O-CG 3.32Å; V135-M138 WeakPolarHBondContact O-CA 3.5Å; V135-M138 WeakPolarHBondContact O-CB 3.43Å; V135-M138 PolarHBondContact O-N 3.42Å; E136-M138 PolarHBondContact O-N 3.47Å; M138-E140 PolarHBondContact O-N 3.24Å
139D58Low82.8Confident157 Ų15790.7 Ų90.784%0.8448%0.479SS*.  trans-596-169.3-127.35.6000116.7
140E68.2Low82.6Confident137 Ų13792.8 Ų92.864%0.6449%0.491SS*.SBendtrans-124.1127.2176-71.5176.4-174.300109.4M138 H142M138-E140 PolarHBondContact O-N 3.24Å; E140-H142 VanDerWaalsContact C-N 3.28Å; E140-H142 WeakPolarHBondContact CB-CE1 3.46Å; E140-H142 PolarHBondContact O-N 3.17Å; E140-H142 PolarHBondContact O-ND1 3.32Å; E140-H142 IonicContact OE2-CE1 2.79Å; E140-H142 PolarHBondContact OE2-CE1 2.94Å; E140-H142 VanDerWaalsContact OE2-CE1 3.31Å; E140-H142 IonicContact OE2-NE2 3.85Å
141M66.5Low82.4Confident165 Ų16588.1 Ų88.181%0.81348%0.477SS*.  trans-6485.2176.1-71.5-71.9-179.500110.6
142H79.8Confident82.3Confident93 Ų9386.6 Ų86.643%0.43147%0.47SS..PPolyproline II helixtrans-89.6121.5178.3-71.298.9000110.6E140 I144 N152E140-H142 VanDerWaalsContact C-N 3.28Å; E140-H142 WeakPolarHBondContact CB-CE1 3.46Å; E140-H142 PolarHBondContact O-N 3.17Å; E140-H142 PolarHBondContact O-ND1 3.32Å; E140-H142 IonicContact OE2-CE1 2.79Å; E140-H142 PolarHBondContact OE2-CE1 2.94Å; E140-H142 VanDerWaalsContact OE2-CE1 3.31Å; E140-H142 IonicContact OE2-NE2 3.85Å; H142-I144 PolarHBondContact O-N 3.32Å; H142-N152 HydrophobicContact CB-CB 4.2Å; H142-N152 PolarHBondContact CD2-ND2 3.45Å
143I87.7Confident82.4Confident10 Ų1084.9 Ų84.95%0.05146%0.456CS..PPolyproline II helixtrans-83.3117.1173.4-51.2-175.7000108.7N152 L153 I155 S177 L180 L181 L184I143-N152 WeakPolarHBondContact O-CA 3.15Å; I143-L153 HydrophobicContact CB-CD1 4.2Å; I143-L153 HydrophobicContact CG2-CD1 3.84Å; I143-L153 PolarHBondContact O-N 2.96Å; I143-I155 HydrophobicContact CB-CD1 4.36Å; I143-I155 HydrophobicContact CD1-CD1 3.55Å; I143-I155 HydrophobicContact CG1-CD1 4.1Å; I143-S177 WeakPolarHBondContact CD1-O 3.32Å; I143-S177 WeakPolarHBondContact CD1-OG 3.35Å; I143-L180 HydrophobicContact CD1-CB 4.07Å; I143-L180 HydrophobicContact CD1-CD2 4.08Å; I143-L180 HydrophobicContact CD1-CG 4.02Å; I143-L181 HydrophobicContact CD1-CB 4.26Å; I143-L181 HydrophobicContact CD1-CD1 3.88Å; I143-L181 HydrophobicContact CD1-CD2 4.46Å; I143-L181 HydrophobicContact CD1-CG 3.51Å; I143-L181 HydrophobicContact CG1-CD1 3.81Å; I143-L181 HydrophobicContact CG1-CD2 4.26Å; I143-L181 HydrophobicContact CG1-CG 3.68Å; I143-L184 HydrophobicContact CG2-CD1 3.88Å
144I90.1Very high82.4Confident105 Ų10585.2 Ų85.254%0.53846%0.459SS..BIsolated β-bridgetrans-66.4134.9172.8-59.2173.9000109H142 P146H142-I144 PolarHBondContact O-N 3.32Å; I144-P146 WeakPolarHBondContact O-CD 3.5Å
145C91.4Very high82.6Confident0 Ų084 Ų840%045%0.449CS..PPolyproline II helixtrans-62.3121179.7178.10000110.8I147 Q149 N151 L153 C162C145-I147 PolarHBondContact O-N 2.8Å; C145-Q149 VanDerWaalsContact O-CA 3.27Å; C145-Q149 WeakPolarHBondContact O-CA 3.2Å; C145-Q149 PolarHBondContact O-N 2.88Å; C145-N151 WeakPolarHBondContact CB-O 3.48Å; C145-N151 PolarHBondContact N-O 3.19Å; C145-L153 HydrophobicContact CB-CD2 3.61Å; C145-L153 HydrophobicContact CB-CG 4.12Å; C145-C162 HydrophobicContact CB-CB 4.2Å; C145-C162 WeakPolarHBondContact CB-SG 3.45Å
146P90.7Very high82.6Confident17 Ų1783.7 Ų83.711%0.1145%0.445CS..THydrogen-bonded Turntrans-71.8-13.3-175.529-36000113.6I144 L184 F201 L213I144-P146 WeakPolarHBondContact O-CD 3.5Å; P146-L184 HydrophobicContact CB-CD2 4.45Å; P146-L184 HydrophobicContact CG-CD2 4.29Å; P146-F201 HydrophobicContact CB-CB 4.05Å; P146-F201 HydrophobicContact CB-CD1 3.89Å; P146-F201 HydrophobicContact CB-CD2 3.59Å; P146-F201 HydrophobicContact CB-CE1 4.16Å; P146-F201 HydrophobicContact CB-CE2 3.89Å; P146-F201 HydrophobicContact CB-CG 3.57Å; P146-F201 HydrophobicContact CB-CZ 4.16Å; P146-F201 HydrophobicContact CG-CD1 4.29Å; P146-F201 HydrophobicContact CG-CG 4.28Å; P146-L213 HydrophobicContact CG-CD1 4.47Å; P146-L213 HydrophobicContact CG-CD2 4.13Å
147I90.3Very high82.7Confident69 Ų6979.8 Ų79.835%0.35443%0.432SS..THydrogen-bonded Turntrans-86.2-50.4179.4-57.3-178.3000111.3C145 L166 F201 V203 L213C145-I147 PolarHBondContact O-N 2.8Å; I147-L166 HydrophobicContact CD1-CB 4.13Å; I147-L166 HydrophobicContact CD1-CD1 3.48Å; I147-L166 VanDerWaalsContact CD1-CD1 3.48Å; I147-L166 HydrophobicContact CD1-CD2 3.87Å; I147-L166 HydrophobicContact CD1-CG 4.02Å; I147-L166 HydrophobicContact CG1-CD2 4.35Å; I147-F201 HydrophobicContact CG1-CB 4.4Å; I147-V203 HydrophobicContact CD1-CG2 3.6Å; I147-L213 HydrophobicContact CD1-CD1 4.45Å; I147-L213 HydrophobicContact CG1-CD1 4.49Å
148C91.3Very high83.5Confident35 Ų3582.9 Ų82.924%0.23642%0.423CS..THydrogen-bonded Turntrans-96.6-16.8-177.470.20000113.8M150 C162 C164C148-M150 WeakPolarHBondContact O-CG 3.48Å; C148-M150 PolarHBondContact O-N 3.4Å; C148-C162 VanDerWaalsContact SG-SG 3.7Å; C148-C164 HydrophobicContact CB-CB 3.51Å
149Q89.4Confident84.5Confident129 Ų12979.6 Ų79.660%0.60341%0.406SS*.SBendtrans56.915.1-179.6-55.6178.9-2.300114.8C145C145-Q149 VanDerWaalsContact O-CA 3.27Å; C145-Q149 WeakPolarHBondContact O-CA 3.2Å; C145-Q149 PolarHBondContact O-N 2.88Å
150M87.8Confident86Confident161 Ų16172.2 Ų72.279%0.79337%0.366SS*.SBendtrans-124.5-29.2-170.7-69.5-68-125.100114.1C148C148-M150 WeakPolarHBondContact O-CG 3.48Å; C148-M150 PolarHBondContact O-N 3.4Å
151N89.9Confident87.1Confident65 Ų6566.9 Ų66.935%0.34834%0.344SS..SBendtrans-120.7150.5-173.4-63.3-51.1000110.7C145C145-N151 WeakPolarHBondContact CB-O 3.48Å; C145-N151 PolarHBondContact N-O 3.19Å
152N90.3Very high88.3Confident74 Ų7459.5 Ų59.540%0.39631%0.308SS..BIsolated β-bridgetrans-74.1143.4172.4-63-26.4000111.2H142 I143H142-N152 HydrophobicContact CB-CB 4.2Å; H142-N152 PolarHBondContact CD2-ND2 3.45Å; I143-N152 WeakPolarHBondContact O-CA 3.15Å
153L90.4Very high88.9Confident17 Ų1760.1 Ų60.19%0.08932%0.32CS..  trans-74.3133.5174.5-66.6178000110.8I143 C145 I155 I160 C162 L166 L180I143-L153 HydrophobicContact CB-CD1 4.2Å; I143-L153 HydrophobicContact CG2-CD1 3.84Å; I143-L153 PolarHBondContact O-N 2.96Å; C145-L153 HydrophobicContact CB-CD2 3.61Å; C145-L153 HydrophobicContact CB-CG 4.12Å; L153-I155 HydrophobicContact CB-CD1 4.16Å; L153-I155 HydrophobicContact CB-CG1 3.97Å; L153-I160 HydrophobicContact CB-CG2 4.39Å; L153-I160 HydrophobicContact CD1-CG2 4.18Å; L153-I160 HydrophobicContact CD2-CG2 4.19Å; L153-C162 HydrophobicContact CD2-CB 3.99Å; L153-L166 HydrophobicContact CD2-CD2 3.7Å; L153-L180 HydrophobicContact CD1-CD2 3.91Å
154S89.5Confident88.9Confident71 Ų7162.4 Ų62.450%0.49734%0.337SS..EExtended strand (participates in β ladder)trans-89.7109.3166.2-54.60000109I160 S161S154-I160 WeakPolarHBondContact O-CA 3.4Å; S154-S161 PolarHBondContact N-O 2.85Å; S154-S161 PolarHBondContact O-N 2.74Å
155I88Confident88.7Confident43 Ų4360.6 Ų60.622%0.22134%0.344CS..EExtended strand (participates in β ladder)trans-111.1125.3-174-57.8164.1000109I143 L153 I160 L180I143-I155 HydrophobicContact CB-CD1 4.36Å; I143-I155 HydrophobicContact CD1-CD1 3.55Å; I143-I155 HydrophobicContact CG1-CD1 4.1Å; L153-I155 HydrophobicContact CB-CD1 4.16Å; L153-I155 HydrophobicContact CB-CG1 3.97Å; I155-I160 HydrophobicContact CG1-CG1 4.35Å; I155-I160 HydrophobicContact CG1-CG2 4.22Å; I155-I160 HydrophobicContact CG2-CG1 4.26Å; I155-L180 HydrophobicContact CD1-CD2 3.85Å; I155-L180 HydrophobicContact CG1-CD2 4.38Å
156N83.1Confident88.6Confident82 Ų8261.1 Ų61.144%0.43935%0.347SS..  trans-132.9169.1173.2-163.6-6.1000109.4Y158 F159N156-Y158 PolarHBondContact O-N 2.99Å; N156-F159 PolarHBondContact N-O 2.92Å; N156-F159 PolarHBondContact O-N 3.41Å
157S81Confident88.5Confident46 Ų4666.4 Ų66.432%0.32237%0.366SS..SBendtrans-59.8-13.9179.358.50000114.4
158Y83.4Confident88.4Confident133 Ų13363.2 Ų63.252%0.52235%0.349SS..SBendtrans-114.8-26.2-175.4-55-63.5000114.8N156 N169 T170 K171N156-Y158 PolarHBondContact O-N 2.99Å; Y158-N169 PolarHBondContact O-OD1 3.41Å; Y158-T170 PolarHBondContact O-N 2.78Å; Y158-T170 PolarHBondContact O-OG1 2.79Å; Y158-K171 HydrophobicContact CD1-CG 3.92Å; Y158-K171 HydrophobicContact CG-CG 4.35Å; Y158-K171 PolarHBondContact O-N 3.48Å
159F87.3Confident88.1Confident63 Ų6363.8 Ų63.828%0.27635%0.35SS..EExtended strand (participates in β ladder)trans-158.3160.1-17966.6-89.2000112.6N156 S161 Y167 I168 T170N156-F159 PolarHBondContact N-O 2.92Å; N156-F159 PolarHBondContact O-N 3.41Å; F159-S161 WeakPolarHBondContact CE2-OG 3.21Å; F159-Y167 HydrophobicContact CB-CE2 3.92Å; F159-Y167 HydrophobicContact CD2-CD2 4.31Å; F159-Y167 AromaticContact CD2-CE2 3.73Å; F159-Y167 HydrophobicContact CD2-CE2 3.73Å; F159-Y167 HydrophobicContact CE2-CE2 4.42Å; F159-Y167 AromaticContact CG-CE2 3.85Å; F159-Y167 HydrophobicContact CG-CE2 3.85Å; F159-I168 CarbonylContact C-O 3.51Å; F159-I168 WeakPolarHBondContact CA-O 3.27Å; F159-I168 WeakPolarHBondContact CB-O 3.28Å; F159-T170 WeakPolarHBondContact CA-OG1 3.33Å; F159-T170 PolarHBondContact N-OG1 3.17Å; F159-T170 VanDerWaalsContact N-OG1 3.08Å
160I90.1Very high87.8Confident2 Ų257.7 Ų57.71%0.0132%0.322CS..EExtended strand (participates in β ladder)trans-117.6131.7169-59.9158.4000107L153 S154 I155 Y167 I168 T170 I175 L180 L227L153-I160 HydrophobicContact CB-CG2 4.39Å; L153-I160 HydrophobicContact CD1-CG2 4.18Å; L153-I160 HydrophobicContact CD2-CG2 4.19Å; S154-I160 WeakPolarHBondContact O-CA 3.4Å; I155-I160 HydrophobicContact CG1-CG1 4.35Å; I155-I160 HydrophobicContact CG1-CG2 4.22Å; I155-I160 HydrophobicContact CG2-CG1 4.26Å; I160-Y167 CarbonylContact O-C 3.54Å; I160-Y167 WeakPolarHBondContact O-CA 3.29Å; I160-I168 HydrophobicContact CB-CB 4.34Å; I160-I168 PolarHBondContact N-O 3.17Å; I160-I168 PolarHBondContact O-N 2.86Å; I160-T170 HydrophobicContact CD1-CG2 3.7Å; I160-T170 HydrophobicContact CG1-CG2 3.99Å; I160-I175 HydrophobicContact CD1-CG2 4.36Å; I160-L180 HydrophobicContact CD1-CD2 3.9Å; I160-L180 HydrophobicContact CG2-CD2 4.45Å; I160-L227 HydrophobicContact CD1-CD1 3.68Å
161S91.1Very high87.2Confident24 Ų2456.7 Ų56.717%0.16831%0.313CS..EExtended strand (participates in β ladder)trans-141.5157.3-179.464.20000113.6S154 F159 L166S154-S161 PolarHBondContact N-O 2.85Å; S154-S161 PolarHBondContact O-N 2.74Å; F159-S161 WeakPolarHBondContact CE2-OG 3.21Å; S161-L166 CarbonylContact C-O 3.23Å; S161-L166 WeakPolarHBondContact CA-O 3.4Å
162C92Very high86.2Confident10 Ų1061.2 Ų61.27%0.06833%0.329CS..  trans-139.5145.9174.1-172.60000110.3C145 C148 L153 C164 G165 L166C145-C162 HydrophobicContact CB-CB 4.2Å; C145-C162 WeakPolarHBondContact CB-SG 3.45Å; C148-C162 VanDerWaalsContact SG-SG 3.7Å; L153-C162 HydrophobicContact CD2-CB 3.99Å; C162-C164 VanDerWaalsContact CB-SG 3.58Å; C162-C164 PolarHBondContact O-N 3.49Å; C162-C164 PolarHBondContact SG-SG 3.38Å; C162-G165 PolarHBondContact O-N 3.33Å; C162-L166 HydrophobicContact CB-CB 3.74Å; C162-L166 HydrophobicContact CB-CD2 4.43Å; C162-L166 PolarHBondContact N-O 3Å
163P91.3Very high85.2Confident106 Ų10663.2 Ų63.269%0.68833%0.331SS*.THydrogen-bonded Turntrans-56.1-17.3172.6-26.935.2000115.2G165P163-G165 PolarHBondContact O-N 3.43Å
164C89.2Confident84.2Confident58 Ų5868.8 Ų68.839%0.39236%0.361SS..THydrogen-bonded Turntrans-72.9-4.3174.471.90000114.4C148 C162C148-C164 HydrophobicContact CB-CB 3.51Å; C162-C164 VanDerWaalsContact CB-SG 3.58Å; C162-C164 PolarHBondContact O-N 3.49Å; C162-C164 PolarHBondContact SG-SG 3.38Å
165G86.3Confident83.8Confident68 Ų6865.9 Ų65.970%0.70134%0.34SS*.SBendtrans101.71.8-178.700000114.6C162 P163 Y167C162-G165 PolarHBondContact O-N 3.33Å; P163-G165 PolarHBondContact O-N 3.43Å; G165-Y167 PolarHBondContact O-N 3.27Å
166L88.5Confident83.6Confident11 Ų1166.2 Ų66.26%0.05835%0.346CS..  trans-65.3127.9170.6176.355.5000110.2I147 L153 S161 C162 I168 V203I147-L166 HydrophobicContact CD1-CB 4.13Å; I147-L166 HydrophobicContact CD1-CD1 3.48Å; I147-L166 VanDerWaalsContact CD1-CD1 3.48Å; I147-L166 HydrophobicContact CD1-CD2 3.87Å; I147-L166 HydrophobicContact CD1-CG 4.02Å; I147-L166 HydrophobicContact CG1-CD2 4.35Å; L153-L166 HydrophobicContact CD2-CD2 3.7Å; S161-L166 CarbonylContact C-O 3.23Å; S161-L166 WeakPolarHBondContact CA-O 3.4Å; C162-L166 HydrophobicContact CB-CB 3.74Å; C162-L166 HydrophobicContact CB-CD2 4.43Å; C162-L166 PolarHBondContact N-O 3Å; L166-I168 HydrophobicContact CD1-CD1 3.85Å; L166-I168 HydrophobicContact CD1-CG1 3.84Å; L166-V203 HydrophobicContact CD1-CG2 3.47Å; L166-V203 VanDerWaalsContact CD1-CG2 3.47Å
167Y88.3Confident83.7Confident127 Ų12764 Ų6450%0.49834%0.337SS..EExtended strand (participates in β ladder)trans-145.4119.7171.3-173.9-91.8000110.8F159 I160 G165 N169F159-Y167 HydrophobicContact CB-CE2 3.92Å; F159-Y167 HydrophobicContact CD2-CD2 4.31Å; F159-Y167 AromaticContact CD2-CE2 3.73Å; F159-Y167 HydrophobicContact CD2-CE2 3.73Å; F159-Y167 HydrophobicContact CE2-CE2 4.42Å; F159-Y167 AromaticContact CG-CE2 3.85Å; F159-Y167 HydrophobicContact CG-CE2 3.85Å; I160-Y167 CarbonylContact O-C 3.54Å; I160-Y167 WeakPolarHBondContact O-CA 3.29Å; G165-Y167 PolarHBondContact O-N 3.27Å; Y167-N169 HydrophobicContact CE1-CB 4.49Å
168I87.8Confident84Confident3 Ų366.3 Ų66.32%0.01535%0.346CS..EExtended strand (participates in β ladder)trans-124.4125.1179.6-62.4169.9000108.6F159 I160 L166 T170 V203 L213 L227F159-I168 CarbonylContact C-O 3.51Å; F159-I168 WeakPolarHBondContact CA-O 3.27Å; F159-I168 WeakPolarHBondContact CB-O 3.28Å; I160-I168 HydrophobicContact CB-CB 4.34Å; I160-I168 PolarHBondContact N-O 3.17Å; I160-I168 PolarHBondContact O-N 2.86Å; L166-I168 HydrophobicContact CD1-CD1 3.85Å; L166-I168 HydrophobicContact CD1-CG1 3.84Å; I168-T170 HydrophobicContact CG2-CG2 4.09Å; I168-V203 HydrophobicContact CD1-CG2 4.5Å; I168-L213 HydrophobicContact CD1-CB 3.89Å; I168-L227 HydrophobicContact CD1-CD1 4.42Å
169N85.6Confident84.2Confident47 Ų4762.2 Ų62.225%0.25133%0.334SS..EExtended strand (participates in β ladder)trans-88114.5179-174.8-27.9000110.8Y158 Y167 K171Y158-N169 PolarHBondContact O-OD1 3.41Å; Y167-N169 HydrophobicContact CE1-CB 4.49Å; N169-K171 WeakPolarHBondContact OD1-CB 3.31Å; N169-K171 VanDerWaalsContact OD1-CG 3.23Å; N169-K171 WeakPolarHBondContact OD1-CG 3.41Å; N169-K171 PolarHBondContact OD1-N 2.99Å; N169-K171 VanDerWaalsContact OD1-N 3.16Å
170T82.3Confident84.3Confident1 Ų159.2 Ų59.21%0.00632%0.322CS..  trans-108.78.7-174.459.20000113.5Y158 F159 I160 I168 K172 R173 N174 I175Y158-T170 PolarHBondContact O-N 2.78Å; Y158-T170 PolarHBondContact O-OG1 2.79Å; F159-T170 WeakPolarHBondContact CA-OG1 3.33Å; F159-T170 PolarHBondContact N-OG1 3.17Å; F159-T170 VanDerWaalsContact N-OG1 3.08Å; I160-T170 HydrophobicContact CD1-CG2 3.7Å; I160-T170 HydrophobicContact CG1-CG2 3.99Å; I168-T170 HydrophobicContact CG2-CG2 4.09Å; T170-K172 PolarHBondContact O-N 3.35Å; T170-R173 PolarHBondContact O-N 3.22Å; T170-N174 PolarHBondContact O-N 3.31Å; T170-I175 HydrophobicContact CG2-CB 4.38Å; T170-I175 HydrophobicContact CG2-CD1 3.43Å; T170-I175 VanDerWaalsContact CG2-CD1 3.43Å; T170-I175 HydrophobicContact CG2-CG1 4.47Å
171K75.3Confident84.3Confident139 Ų13961.3 Ų61.360%0.60433%0.332SS*.THydrogen-bonded Turntrans-48.2-28.5-175.6-73.1-175177.8-175.10115.6Y158 N169Y158-K171 HydrophobicContact CD1-CG 3.92Å; Y158-K171 HydrophobicContact CG-CG 4.35Å; Y158-K171 PolarHBondContact O-N 3.48Å; N169-K171 WeakPolarHBondContact OD1-CB 3.31Å; N169-K171 VanDerWaalsContact OD1-CG 3.23Å; N169-K171 WeakPolarHBondContact OD1-CG 3.41Å; N169-K171 PolarHBondContact OD1-N 2.99Å; N169-K171 VanDerWaalsContact OD1-N 3.16Å
172K68.8Low84.2Confident160 Ų16067.6 Ų67.670%0.69635%0.352SS*.THydrogen-bonded Turntrans-100.2-7.5-179-63.1-176.6-171.5158.40114.4T170 H210T170-K172 PolarHBondContact O-N 3.35Å; K172-H210 PolarHBondContact NZ-NE2 3.05Å; K172-H210 VanDerWaalsContact NZ-NE2 3.16Å
173R70.8Confident84.2Confident117 Ų11770 Ų7044%0.44236%0.364SS..THydrogen-bonded Turntrans-115.6-6.7-167.9-68.5-178.4178.5172.6-8.2114.4T170 I175 L227T170-R173 PolarHBondContact O-N 3.22Å; R173-I175 VanDerWaalsContact C-N 3.34Å; R173-I175 HydrophobicContact CB-CD1 3.62Å; R173-I175 HydrophobicContact CB-CG1 3.94Å; R173-I175 PolarHBondContact O-N 2.77Å; R173-L227 PolarHBondContact NH1-OXT 3.16Å
174N69.2Low84.2Confident133 Ų13365.6 Ų65.671%0.71134%0.335SS*.  trans39.358179-162.520.4000113.5T170T170-N174 PolarHBondContact O-N 3.31Å
175I80.6Confident84.4Confident11 Ų1167.9 Ų67.96%0.05634%0.34CS..  trans-86.6117.5-176.6-66148.8000108.6I160 T170 R173 L180 L227I160-I175 HydrophobicContact CD1-CG2 4.36Å; T170-I175 HydrophobicContact CG2-CB 4.38Å; T170-I175 HydrophobicContact CG2-CD1 3.43Å; T170-I175 VanDerWaalsContact CG2-CD1 3.43Å; T170-I175 HydrophobicContact CG2-CG1 4.47Å; R173-I175 VanDerWaalsContact C-N 3.34Å; R173-I175 HydrophobicContact CB-CD1 3.62Å; R173-I175 HydrophobicContact CB-CG1 3.94Å; R173-I175 PolarHBondContact O-N 2.77Å; I175-L180 HydrophobicContact CG2-CB 4.15Å; I175-L227 HydrophobicContact CD1-CD2 3.55Å; I175-L227 HydrophobicContact CG1-CD2 4.07Å; I175-L227 HydrophobicContact CG2-CD2 4.12Å
176S84.8Confident84.7Confident50 Ų5067.2 Ų67.235%0.3533%0.328SS..  trans-84.9165.5168.8720000111.3D178 V179 L180S176-D178 VanDerWaalsContact C-N 3.31Å; S176-D178 PolarHBondContact O-N 2.94Å; S176-V179 PolarHBondContact O-N 2.75Å; S176-V179 WeakPolarHBondContact OG-CG2 3.46Å; S176-V179 PolarHBondContact OG-N 2.85Å; S176-L180 PolarHBondContact O-N 2.81Å; S176-L180 VanDerWaalsContact O-N 3.14Å
177S85.4Confident85Confident35 Ų3570.4 Ų70.425%0.24534%0.339CS..Hα-helixtrans-54.7-46.9174.4-164.70000111.4I143 V179 L180 L181I143-S177 WeakPolarHBondContact CD1-O 3.32Å; I143-S177 WeakPolarHBondContact CD1-OG 3.35Å; S177-V179 VanDerWaalsContact C-N 3.33Å; S177-V179 PolarHBondContact O-N 2.87Å; S177-L180 WeakPolarHBondContact O-CB 3.42Å; S177-L180 PolarHBondContact O-N 2.99Å; S177-L180 VanDerWaalsContact O-N 3.15Å; S177-L181 PolarHBondContact O-N 3.07Å
178D86.4Confident85.1Confident94 Ų9467 Ų6750%0.50333%0.329SS..Hα-helixtrans-63.2-37-179.1-47.7-67.7000113.3S176 L181 R182S176-D178 VanDerWaalsContact C-N 3.31Å; S176-D178 PolarHBondContact O-N 2.94Å; D178-L181 PolarHBondContact O-N 2.95Å; D178-R182 WeakPolarHBondContact O-CG 3.33Å; D178-R182 PolarHBondContact O-N 3.38Å
179V88.1Confident85.3Confident47 Ų4770 Ų7029%0.28535%0.35SS..Hα-helixtrans-66.9-42.1177.5172.50000110S176 S177 R182 L183S176-V179 PolarHBondContact O-N 2.75Å; S176-V179 WeakPolarHBondContact OG-CG2 3.46Å; S176-V179 PolarHBondContact OG-N 2.85Å; S177-V179 VanDerWaalsContact C-N 3.33Å; S177-V179 PolarHBondContact O-N 2.87Å; V179-R182 PolarHBondContact O-N 2.94Å; V179-L183 HydrophobicContact CG1-CD1 3.93Å; V179-L183 HydrophobicContact CG1-CG 4.48Å; V179-L183 WeakPolarHBondContact O-CB 3.44Å; V179-L183 VanDerWaalsContact O-CG 3.24Å; V179-L183 WeakPolarHBondContact O-CG 3.43Å; V179-L183 PolarHBondContact O-N 2.84Å
180L88.7Confident85.7Confident1 Ų172.1 Ų72.11%0.00536%0.359CS..Hα-helixtrans-63.2-44.8175.9178.553.1000111.9I143 L153 I155 I160 I175 S176 S177 L183 L184 L227I143-L180 HydrophobicContact CD1-CB 4.07Å; I143-L180 HydrophobicContact CD1-CD2 4.08Å; I143-L180 HydrophobicContact CD1-CG 4.02Å; L153-L180 HydrophobicContact CD1-CD2 3.91Å; I155-L180 HydrophobicContact CD1-CD2 3.85Å; I155-L180 HydrophobicContact CG1-CD2 4.38Å; I160-L180 HydrophobicContact CD1-CD2 3.9Å; I160-L180 HydrophobicContact CG2-CD2 4.45Å; I175-L180 HydrophobicContact CG2-CB 4.15Å; S176-L180 PolarHBondContact O-N 2.81Å; S176-L180 VanDerWaalsContact O-N 3.14Å; S177-L180 WeakPolarHBondContact O-CB 3.42Å; S177-L180 PolarHBondContact O-N 2.99Å; S177-L180 VanDerWaalsContact O-N 3.15Å; L180-L183 PolarHBondContact O-N 3.42Å; L180-L184 HydrophobicContact CD1-CD1 3.95Å; L180-L184 HydrophobicContact CD1-CG 4.06Å; L180-L184 HydrophobicContact CG-CD1 3.96Å; L180-L184 WeakPolarHBondContact O-CG 3.44Å; L180-L184 PolarHBondContact O-N 3.48Å; L180-L227 HydrophobicContact CD1-CD1 3.32Å; L180-L227 HydrophobicContact CD1-CD2 4.24Å; L180-L227 HydrophobicContact CD1-CG 3.84Å; L180-L227 HydrophobicContact CD2-CD1 4.5Å; L180-L227 HydrophobicContact CG-CD1 4.47Å
181L89.7Confident86.2Confident45 Ų4572.2 Ų72.224%0.23636%0.359CS..Hα-helixtrans-54.2-54.5175.1-98.3156.7000111.4I143 S177 D178 L183 L184 E185I143-L181 HydrophobicContact CD1-CB 4.26Å; I143-L181 HydrophobicContact CD1-CD1 3.88Å; I143-L181 HydrophobicContact CD1-CD2 4.46Å; I143-L181 HydrophobicContact CD1-CG 3.51Å; I143-L181 HydrophobicContact CG1-CD1 3.81Å; I143-L181 HydrophobicContact CG1-CD2 4.26Å; I143-L181 HydrophobicContact CG1-CG 3.68Å; S177-L181 PolarHBondContact O-N 3.07Å; D178-L181 PolarHBondContact O-N 2.95Å; L181-L183 VanDerWaalsContact C-N 3.27Å; L181-L183 PolarHBondContact O-N 2.82Å; L181-L184 PolarHBondContact O-N 3.21Å; L181-L184 VanDerWaalsContact O-N 3.14Å; L181-E185 WeakPolarHBondContact O-CB 3.3Å; L181-E185 WeakPolarHBondContact O-CG 3.38Å; L181-E185 PolarHBondContact O-N 2.8Å
182R90.3Very high87Confident157 Ų15771.4 Ų71.459%0.59236%0.359SS*.Hα-helixtrans-60.7-35.9-179.9-71-167.4-57.5-118.10.8113.1D178 V179 A186D178-R182 WeakPolarHBondContact O-CG 3.33Å; D178-R182 PolarHBondContact O-N 3.38Å; V179-R182 PolarHBondContact O-N 2.94Å; R182-A186 WeakPolarHBondContact O-CB 3.36Å; R182-A186 PolarHBondContact O-N 2.92Å
183L91.3Very high88.1Confident59 Ų5971.3 Ų71.331%0.30936%0.361SS..Hα-helixtrans-68.6-41.7177.1-72.6169.3000111.6V179 L180 L181 R187 V226 L227V179-L183 HydrophobicContact CG1-CD1 3.93Å; V179-L183 HydrophobicContact CG1-CG 4.48Å; V179-L183 WeakPolarHBondContact O-CB 3.44Å; V179-L183 VanDerWaalsContact O-CG 3.24Å; V179-L183 WeakPolarHBondContact O-CG 3.43Å; V179-L183 PolarHBondContact O-N 2.84Å; L180-L183 PolarHBondContact O-N 3.42Å; L181-L183 VanDerWaalsContact C-N 3.27Å; L181-L183 PolarHBondContact O-N 2.82Å; L183-R187 VanDerWaalsContact O-CG 3.27Å; L183-R187 WeakPolarHBondContact O-CG 3.36Å; L183-R187 PolarHBondContact O-N 3.21Å; L183-V226 HydrophobicContact CB-CG1 4.12Å; L183-L227 HydrophobicContact CD1-CD2 3.92Å
184L92.1Very high88.9Confident14 Ų1473 Ų737%0.07338%0.379CS..Hα-helixtrans-64.2-49.2175.2-73.6166.1000111I143 P146 L180 L181 R187 L188 F201 L213 V226I143-L184 HydrophobicContact CG2-CD1 3.88Å; P146-L184 HydrophobicContact CB-CD2 4.45Å; P146-L184 HydrophobicContact CG-CD2 4.29Å; L180-L184 HydrophobicContact CD1-CD1 3.95Å; L180-L184 HydrophobicContact CD1-CG 4.06Å; L180-L184 HydrophobicContact CG-CD1 3.96Å; L180-L184 WeakPolarHBondContact O-CG 3.44Å; L180-L184 PolarHBondContact O-N 3.48Å; L181-L184 PolarHBondContact O-N 3.21Å; L181-L184 VanDerWaalsContact O-N 3.14Å; L184-R187 PolarHBondContact O-N 3.28Å; L184-L188 WeakPolarHBondContact O-CB 3.4Å; L184-L188 VanDerWaalsContact O-CG 3.3Å; L184-L188 WeakPolarHBondContact O-CG 3.44Å; L184-L188 PolarHBondContact O-N 3.09Å; L184-F201 HydrophobicContact CD2-CD1 4.37Å; L184-F201 HydrophobicContact CD2-CE1 3.58Å; L184-F201 HydrophobicContact CD2-CZ 4.03Å; L184-L213 HydrophobicContact CD2-CD2 4.2Å; L184-V226 HydrophobicContact CD2-CG1 3.76Å; L184-V226 HydrophobicContact CG-CG1 4.09Å
185E92.5Very high90Very high106 Ų10667.3 Ų67.350%0.49535%0.349SS..Hα-helixtrans-58.4-51177.9-73.9171.9178.700111.3L181 R187 L188 S189L181-E185 WeakPolarHBondContact O-CB 3.3Å; L181-E185 WeakPolarHBondContact O-CG 3.38Å; L181-E185 PolarHBondContact O-N 2.8Å; E185-R187 VanDerWaalsContact C-N 3.3Å; E185-R187 PolarHBondContact O-N 2.89Å; E185-L188 PolarHBondContact O-N 2.87Å; E185-S189 WeakPolarHBondContact O-CB 3.4Å; E185-S189 PolarHBondContact O-N 3.26Å; E185-S189 PolarHBondContact O-OG 2.96Å; E185-S189 VanDerWaalsContact O-OG 3.09Å
186A93.5Very high90.5Very high55 Ų5574.7 Ų74.746%0.45539%0.388SS..Hα-helixtrans-58-42.2-178.800000112.3R182 E190R182-A186 WeakPolarHBondContact O-CB 3.36Å; R182-A186 PolarHBondContact O-N 2.92Å; A186-E190 VanDerWaalsContact O-CB 3.24Å; A186-E190 WeakPolarHBondContact O-CB 3.43Å; A186-E190 PolarHBondContact O-N 2.75Å
187R93Very high90.9Very high77 Ų7778 Ų7829%0.29140%0.398SS..Hα-helixtrans-73.3-35.9179.5-65.1-58.3-178.8-148.6-5113.1L183 L184 E185 E190 H191 I215 S224 I225 V226L183-R187 VanDerWaalsContact O-CG 3.27Å; L183-R187 WeakPolarHBondContact O-CG 3.36Å; L183-R187 PolarHBondContact O-N 3.21Å; L184-R187 PolarHBondContact O-N 3.28Å; E185-R187 VanDerWaalsContact C-N 3.3Å; E185-R187 PolarHBondContact O-N 2.89Å; R187-E190 IonicContact CZ-OE2 2.8Å; R187-E190 IonicContact NH1-OE2 3.51Å; R187-E190 PolarHBondContact NH1-OE2 3.06Å; R187-H191 PolarHBondContact O-N 3.28Å; R187-I215 HydrophobicContact CB-CD1 4.47Å; R187-I215 HydrophobicContact CB-CG2 4.18Å; R187-S224 WeakPolarHBondContact CD-OG 3.17Å; R187-S224 PolarHBondContact NE-OG 3.23Å; R187-S224 VanDerWaalsContact NE-OG 3.15Å; R187-I225 PolarHBondContact NE-O 3.41Å; R187-V226 HydrophobicContact CG-CG2 4.35Å
188L91.3Very high91Very high56 Ų5680.8 Ų80.829%0.29342%0.417SS..Hα-helixtrans-68.1-46.4174.6-75.3168.5000111.1L184 E185 H191 M192 P199 F201 I215L184-L188 WeakPolarHBondContact O-CB 3.4Å; L184-L188 VanDerWaalsContact O-CG 3.3Å; L184-L188 WeakPolarHBondContact O-CG 3.44Å; L184-L188 PolarHBondContact O-N 3.09Å; E185-L188 PolarHBondContact O-N 2.87Å; L188-H191 PolarHBondContact O-N 3.08Å; L188-M192 WeakPolarHBondContact O-CB 3.4Å; L188-M192 VanDerWaalsContact O-CG 3.28Å; L188-M192 WeakPolarHBondContact O-CG 3.35Å; L188-M192 PolarHBondContact O-N 3.44Å; L188-P199 HydrophobicContact CD2-CG 3.59Å; L188-F201 HydrophobicContact CD1-CZ 4.33Å; L188-F201 HydrophobicContact CD2-CE2 4.15Å; L188-F201 HydrophobicContact CD2-CZ 3.91Å; L188-F201 HydrophobicContact CG-CZ 4.14Å; L188-I215 HydrophobicContact CD2-CD1 3.8Å; L188-I215 HydrophobicContact CG-CD1 4.28Å
189S92.6Very high91.3Very high65 Ų6576.9 Ų76.946%0.45540%0.397SS..Hα-helixtrans-60.7-46.6176.5-63.40000111.5E185 H191 M192 E193E185-S189 WeakPolarHBondContact O-CB 3.4Å; E185-S189 PolarHBondContact O-N 3.26Å; E185-S189 PolarHBondContact O-OG 2.96Å; E185-S189 VanDerWaalsContact O-OG 3.09Å; S189-H191 VanDerWaalsContact C-N 3.26Å; S189-H191 PolarHBondContact O-N 2.96Å; S189-M192 PolarHBondContact O-N 3.48Å; S189-E193 PolarHBondContact O-N 3.14Å
190E93.1Very high91.5Very high92 Ų9278.1 Ų78.143%0.4341%0.405SS..Hα-helixtrans-55.4-41.5176.3-176.6179.9-164.900112A186 R187 Y222A186-E190 VanDerWaalsContact O-CB 3.24Å; A186-E190 WeakPolarHBondContact O-CB 3.43Å; A186-E190 PolarHBondContact O-N 2.75Å; R187-E190 IonicContact CZ-OE2 2.8Å; R187-E190 IonicContact NH1-OE2 3.51Å; R187-E190 PolarHBondContact NH1-OE2 3.06Å; E190-Y222 HydrophobicContact CG-CE2 4.08Å; E190-Y222 PolarHBondContact OE2-OH 3.16Å
191H93.6Very high91.7Very high3 Ų379.1 Ų79.11%0.01441%0.409CS..Hα-helixtrans-70.4-39.6175.4170.3-85.7000113R187 L188 S189 E193 D194 C195 H197 C217 C220 Y222R187-H191 PolarHBondContact O-N 3.28Å; L188-H191 PolarHBondContact O-N 3.08Å; S189-H191 VanDerWaalsContact C-N 3.26Å; S189-H191 PolarHBondContact O-N 2.96Å; H191-E193 VanDerWaalsContact C-N 3.26Å; H191-E193 PolarHBondContact O-N 3.14Å; H191-D194 PolarHBondContact O-N 3.15Å; H191-C195 PolarHBondContact CE1-O 3.49Å; H191-C195 WeakPolarHBondContact NE2-CB 3.48Å; H191-C195 PolarHBondContact O-N 3.04Å; H191-H197 PolarHBondContact CE1-O 2.59Å; H191-C217 VanDerWaalsContact NE2-CB 3.29Å; H191-C217 WeakPolarHBondContact NE2-CB 3.17Å; H191-C217 PolarHBondContact NE2-SG 3.28Å; H191-C220 PolarHBondContact NE2-SG 2.93Å; H191-C220 VanDerWaalsContact NE2-SG 3.38Å; H191-Y222 HydrophobicContact CB-CD1 4.03Å; H191-Y222 HydrophobicContact CB-CE1 4.03Å; H191-Y222 HydrophobicContact CB-CG 4.4Å; H191-Y222 AromaticContact CD2-CD1 3.89Å; H191-Y222 AromaticContact CD2-CG 3.91Å
192M91.3Very high91.7Very high122 Ų12279 Ų7960%0.60141%0.412SS*.Hα-helixtrans-68.1-21.4-175.1-78.6-173.967.800114.1L188 S189 D194L188-M192 WeakPolarHBondContact O-CB 3.4Å; L188-M192 VanDerWaalsContact O-CG 3.28Å; L188-M192 WeakPolarHBondContact O-CG 3.35Å; L188-M192 PolarHBondContact O-N 3.44Å; S189-M192 PolarHBondContact O-N 3.48Å; M192-D194 VanDerWaalsContact C-N 3.3Å; M192-D194 PolarHBondContact O-N 3.32Å
193E91.1Very high91.7Very high158 Ų15873.9 Ų73.974%0.73840%0.398SS*.Hα-helixtrans-61.6-39.5173.5-65.7-59.8142.600111.9S189 H191S189-E193 PolarHBondContact O-N 3.14Å; H191-E193 VanDerWaalsContact C-N 3.26Å; H191-E193 PolarHBondContact O-N 3.14Å
194D89.3Confident91.2Very high153 Ų15373.1 Ų73.182%0.81840%0.396SS*.Hα-helixtrans-107.1-13.7-173-66.6-42.4000113.4H191 M192H191-D194 PolarHBondContact O-N 3.15Å; M192-D194 VanDerWaalsContact C-N 3.3Å; M192-D194 PolarHBondContact O-N 3.32Å
195C92.6Very high90Very high14 Ų1478.2 Ų78.210%0.09543%0.429CS..  trans-150.9132.5-174.5-167.10000114.8H191 H197 C220H191-C195 PolarHBondContact CE1-O 3.49Å; H191-C195 WeakPolarHBondContact NE2-CB 3.48Å; H191-C195 PolarHBondContact O-N 3.04Å; C195-H197 PolarHBondContact SG-ND1 2.74Å; C195-C220 HydrophobicContact CB-CB 4.08Å
196L91Very high88.4Confident166 Ų16678.1 Ų78.187%0.86943%0.432SS*.  trans-90.1-0.5177.1-59.4177.6000114.3
197H91.8Very high86.6Confident119 Ų11981.6 Ų81.655%0.55145%0.448SS*.SBendtrans-77.6149.5178.9-68.481.3000110.9H191 C195 P199 A219H191-H197 PolarHBondContact CE1-O 2.59Å; C195-H197 PolarHBondContact SG-ND1 2.74Å; H197-P199 WeakPolarHBondContact O-CD 3.22Å; H197-A219 HydrophobicContact CB-CB 3.95Å; H197-A219 WeakPolarHBondContact ND1-CB 3.37Å
198S88.8Confident84.7Confident94 Ų9484.5 Ų84.566%0.65747%0.47SS*.PPolyproline II helixtrans-75.2120.9176.5-171.90000110.2
199P91.9Very high83.1Confident11 Ų1185.4 Ų85.47%0.07148%0.481CS..PPolyproline II helixtrans-75.3150.617731.1-33.8000111.1L188 H197 I215 S216 C217L188-P199 HydrophobicContact CD2-CG 3.59Å; H197-P199 WeakPolarHBondContact O-CD 3.22Å; P199-I215 HydrophobicContact CB-CD1 3.82Å; P199-I215 HydrophobicContact CB-CG1 3.64Å; P199-I215 HydrophobicContact CG-CD1 3.69Å; P199-I215 HydrophobicContact CG-CG1 4.07Å; P199-S216 CarbonylContact C-O 3.59Å; P199-C217 HydrophobicContact CB-CB 4.39Å
200V92.4Very high81.8Confident74 Ų7484 Ų8445%0.44847%0.467SS..EExtended strand (participates in β ladder)trans-100.1132.1179.5-178.50000109.9S216V200-S216 PolarHBondContact N-O 3.2Å; V200-S216 PolarHBondContact O-N 2.94Å; V200-S216 PolarHBondContact O-OG 3.25Å
201F92.9Very high81Confident22 Ų2280.8 Ų80.810%0.09646%0.456CS..EExtended strand (participates in β ladder)trans-94138.3173.9-67.8-95.8000111.5P146 I147 L184 L188 L213 M214 I215 V226P146-F201 HydrophobicContact CB-CB 4.05Å; P146-F201 HydrophobicContact CB-CD1 3.89Å; P146-F201 HydrophobicContact CB-CD2 3.59Å; P146-F201 HydrophobicContact CB-CE1 4.16Å; P146-F201 HydrophobicContact CB-CE2 3.89Å; P146-F201 HydrophobicContact CB-CG 3.57Å; P146-F201 HydrophobicContact CB-CZ 4.16Å; P146-F201 HydrophobicContact CG-CD1 4.29Å; P146-F201 HydrophobicContact CG-CG 4.28Å; I147-F201 HydrophobicContact CG1-CB 4.4Å; L184-F201 HydrophobicContact CD2-CD1 4.37Å; L184-F201 HydrophobicContact CD2-CE1 3.58Å; L184-F201 HydrophobicContact CD2-CZ 4.03Å; L188-F201 HydrophobicContact CD1-CZ 4.33Å; L188-F201 HydrophobicContact CD2-CE2 4.15Å; L188-F201 HydrophobicContact CD2-CZ 3.91Å; L188-F201 HydrophobicContact CG-CZ 4.14Å; F201-L213 HydrophobicContact CB-CD1 4.39Å; F201-L213 HydrophobicContact CD1-CD1 4.43Å; F201-L213 HydrophobicContact CD1-CG 4.43Å; F201-M214 CarbonylContact C-O 3.45Å; F201-M214 VanDerWaalsContact CA-O 3.27Å; F201-M214 WeakPolarHBondContact CA-O 3.09Å; F201-I215 HydrophobicContact CD1-CB 4.04Å; F201-I215 HydrophobicContact CD1-CG1 4.35Å; F201-I215 HydrophobicContact CE1-CB 3.84Å; F201-I215 HydrophobicContact CE1-CD1 3.93Å; F201-I215 HydrophobicContact CE1-CG1 3.97Å; F201-I215 HydrophobicContact CE2-CD1 4.3Å; F201-I215 HydrophobicContact CE2-CG1 4.44Å; F201-I215 HydrophobicContact CZ-CB 4.4Å; F201-I215 HydrophobicContact CZ-CD1 3.67Å; F201-I215 HydrophobicContact CZ-CG1 4.03Å; F201-V226 HydrophobicContact CD1-CG2 4.4Å; F201-V226 HydrophobicContact CE1-CG2 4.06Å
202S90.2Very high80.6Confident43 Ų4381.3 Ų81.330%0.30146%0.46SS..EExtended strand (participates in β ladder)trans-139.6159.7178.462.90000111M214S202-M214 PolarHBondContact N-O 2.86Å; S202-M214 PolarHBondContact O-N 2.79Å
203V89Confident80.5Confident48 Ų4875.7 Ų75.729%0.29143%0.432SS..EExtended strand (participates in β ladder)trans-118.6128.1176175.80000109.4I147 L166 I168 A211 S212 L213I147-V203 HydrophobicContact CD1-CG2 3.6Å; L166-V203 HydrophobicContact CD1-CG2 3.47Å; L166-V203 VanDerWaalsContact CD1-CG2 3.47Å; I168-V203 HydrophobicContact CD1-CG2 4.5Å; V203-A211 HydrophobicContact CG1-CB 3.74Å; V203-S212 WeakPolarHBondContact CA-O 3.27Å; V203-L213 HydrophobicContact CG2-CD1 3.91Å
204T82Confident80.5Confident44 Ų4469.9 Ų69.927%0.2741%0.405SS..EExtended strand (participates in β ladder)trans-89122.9174.646.40000110.2N206 A211 S212 M214T204-N206 VanDerWaalsContact C-N 3.31Å; T204-N206 PolarHBondContact O-N 3.14Å; T204-A211 WeakPolarHBondContact O-CA 3.09Å; T204-S212 PolarHBondContact N-O 2.91Å; T204-S212 VanDerWaalsContact N-O 3.07Å; T204-S212 PolarHBondContact O-N 3.22Å; T204-S212 PolarHBondContact OG1-O 3.5Å; T204-M214 HydrophobicContact CG2-CE 3.24Å; T204-M214 HydrophobicContact CG2-SD 3.66Å
205P66.6Low80.7Confident120 Ų12062.6 Ų62.678%0.77937%0.366SS*.  trans-75.488.9169.430.3-30.7000107.8
206N59.3Low80.8Confident104 Ų10463.6 Ų63.656%0.55637%0.373SS*.  trans-74.5130.7179.4-139.9-1000109.7T204 D208 H210T204-N206 VanDerWaalsContact C-N 3.31Å; T204-N206 PolarHBondContact O-N 3.14Å; N206-D208 PolarHBondContact O-N 3.27Å; N206-D208 VanDerWaalsContact O-N 3.14Å; N206-H210 WeakPolarHBondContact CB-O 3.47Å
207T54.4Low80.9Confident128 Ų12856 Ų5679%0.78533%0.334SS*.THydrogen-bonded Turntrans-64.9-18.5-171.948.70000113.8
208D54.4Low80.8Confident139 Ų13958.9 Ų58.974%0.74335%0.348SS*.THydrogen-bonded Turntrans-118.438.1-172.6-64.3-33000114.4N206N206-D208 PolarHBondContact O-N 3.27Å; N206-D208 VanDerWaalsContact O-N 3.14Å
209S56.2Low81Confident75 Ų7557 Ų5752%0.52434%0.339SS..SBendtrans108.8-2153.978.50000120.7
210H65.2Low81Confident36 Ų3659.1 Ų59.117%0.16735%0.353CS..  trans-140.4116.6176-61.1-71.5000111.9K172 N206K172-H210 PolarHBondContact NZ-NE2 3.05Å; K172-H210 VanDerWaalsContact NZ-NE2 3.16Å; N206-H210 WeakPolarHBondContact CB-O 3.47Å
211A77.4Confident80.7Confident23 Ų2362.4 Ų62.419%0.1937%0.368CS..  trans-68.7132.4170.500000109.5V203 T204V203-A211 HydrophobicContact CG1-CB 3.74Å; T204-A211 WeakPolarHBondContact O-CA 3.09Å
212S84.6Confident80.7Confident14 Ų1463.4 Ų63.410%0.09837%0.371CS..EExtended strand (participates in β ladder)trans-111.1138.1-179-96.40000111.3V203 T204 L227V203-S212 WeakPolarHBondContact CA-O 3.27Å; T204-S212 PolarHBondContact N-O 2.91Å; T204-S212 VanDerWaalsContact N-O 3.07Å; T204-S212 PolarHBondContact O-N 3.22Å; T204-S212 PolarHBondContact OG1-O 3.5Å; S212-L227 CarbonylContact C-O 3.45Å; S212-L227 WeakPolarHBondContact CA-O 3.5Å; S212-L227 WeakPolarHBondContact CB-O 3.24Å; S212-L227 PolarHBondContact OG-O 3.28Å
213L90Very high80.8Confident4 Ų466.8 Ų66.82%0.02139%0.385CS..EExtended strand (participates in β ladder)trans-88.1125.6175.2-176.565.8000108.5P146 I147 I168 L184 F201 V203 V226 L227P146-L213 HydrophobicContact CG-CD1 4.47Å; P146-L213 HydrophobicContact CG-CD2 4.13Å; I147-L213 HydrophobicContact CD1-CD1 4.45Å; I147-L213 HydrophobicContact CG1-CD1 4.49Å; I168-L213 HydrophobicContact CD1-CB 3.89Å; L184-L213 HydrophobicContact CD2-CD2 4.2Å; F201-L213 HydrophobicContact CB-CD1 4.39Å; F201-L213 HydrophobicContact CD1-CD1 4.43Å; F201-L213 HydrophobicContact CD1-CG 4.43Å; V203-L213 HydrophobicContact CG2-CD1 3.91Å; L213-V226 HydrophobicContact CB-CB 4.3Å; L213-V226 HydrophobicContact CD2-CB 4.15Å; L213-V226 HydrophobicContact CD2-CG1 4.12Å; L213-V226 HydrophobicContact CG-CB 4.15Å; L213-V226 HydrophobicContact CG-CG2 4.45Å; L213-V226 WeakPolarHBondContact O-CB 3.41Å; L213-V226 PolarHBondContact O-N 2.97Å; L213-L227 HydrophobicContact CB-CB 3.99Å; L213-L227 HydrophobicContact CB-CD1 4.35Å; L213-L227 HydrophobicContact CD2-CD1 4.23Å; L213-L227 PolarHBondContact N-O 3.15Å; L213-L227 PolarHBondContact O-N 3.25Å
214M91.3Very high80.9Confident37 Ų3765.5 Ų65.518%0.18238%0.378CS..EExtended strand (participates in β ladder)trans-122.4152.5-179.7-54.9-168.4-43.300110.6F201 S202 T204 L223 S224 I225F201-M214 CarbonylContact C-O 3.45Å; F201-M214 VanDerWaalsContact CA-O 3.27Å; F201-M214 WeakPolarHBondContact CA-O 3.09Å; S202-M214 PolarHBondContact N-O 2.86Å; S202-M214 PolarHBondContact O-N 2.79Å; T204-M214 HydrophobicContact CG2-CE 3.24Å; T204-M214 HydrophobicContact CG2-SD 3.66Å; M214-L223 HydrophobicContact CE-CD1 4.43Å; M214-S224 WeakPolarHBondContact CA-O 3.37Å; M214-I225 HydrophobicContact CG-CG1 4.42Å
215I93.6Very high81.2Confident0 Ų068.2 Ų68.20%039%0.39CS..EExtended strand (participates in β ladder)trans-116.2134.8172.7-174.5174.3000108.2R187 L188 P199 F201 Y222 L223 S224 V226R187-I215 HydrophobicContact CB-CD1 4.47Å; R187-I215 HydrophobicContact CB-CG2 4.18Å; L188-I215 HydrophobicContact CD2-CD1 3.8Å; L188-I215 HydrophobicContact CG-CD1 4.28Å; P199-I215 HydrophobicContact CB-CD1 3.82Å; P199-I215 HydrophobicContact CB-CG1 3.64Å; P199-I215 HydrophobicContact CG-CD1 3.69Å; P199-I215 HydrophobicContact CG-CG1 4.07Å; F201-I215 HydrophobicContact CD1-CB 4.04Å; F201-I215 HydrophobicContact CD1-CG1 4.35Å; F201-I215 HydrophobicContact CE1-CB 3.84Å; F201-I215 HydrophobicContact CE1-CD1 3.93Å; F201-I215 HydrophobicContact CE1-CG1 3.97Å; F201-I215 HydrophobicContact CE2-CD1 4.3Å; F201-I215 HydrophobicContact CE2-CG1 4.44Å; F201-I215 HydrophobicContact CZ-CB 4.4Å; F201-I215 HydrophobicContact CZ-CD1 3.67Å; F201-I215 HydrophobicContact CZ-CG1 4.03Å; I215-Y222 HydrophobicContact CG2-CE1 3.85Å; I215-L223 WeakPolarHBondContact O-CA 3.24Å; I215-S224 WeakPolarHBondContact CG2-O 3.39Å; I215-S224 PolarHBondContact N-O 2.88Å; I215-S224 PolarHBondContact O-N 2.85Å; I215-V226 HydrophobicContact CB-CG2 4.05Å; I215-V226 HydrophobicContact CG2-CG2 3.93Å
216S93.7Very high82.3Confident34 Ų3462.8 Ų62.824%0.23836%0.355CS..EExtended strand (participates in β ladder)trans-141.9141.2-178.959.20000111.3P199 V200 Y222P199-S216 CarbonylContact C-O 3.59Å; V200-S216 PolarHBondContact N-O 3.2Å; V200-S216 PolarHBondContact O-N 2.94Å; V200-S216 PolarHBondContact O-OG 3.25Å; S216-Y222 CarbonylContact C-O 3.59Å; S216-Y222 WeakPolarHBondContact CA-O 3.34Å
217C94.2Very high83.4Confident8 Ų858.9 Ų58.95%0.05433%0.334CS..  trans-120.2128.1174.7-175.20000110.4H191 P199 A219 C220 D221 Y222H191-C217 VanDerWaalsContact NE2-CB 3.29Å; H191-C217 WeakPolarHBondContact NE2-CB 3.17Å; H191-C217 PolarHBondContact NE2-SG 3.28Å; P199-C217 HydrophobicContact CB-CB 4.39Å; C217-A219 VanDerWaalsContact C-N 3.26Å; C217-A219 PolarHBondContact O-N 2.89Å; C217-A219 PolarHBondContact SG-N 3.23Å; C217-C220 VanDerWaalsContact SG-SG 3.66Å; C217-D221 WeakPolarHBondContact O-CA 3.46Å; C217-D221 PolarHBondContact O-N 3.45Å; C217-Y222 PolarHBondContact N-O 3.41Å
218Q89.8Confident84.8Confident178 Ų17855.4 Ų55.483%0.83231%0.311SS*.THydrogen-bonded Turntrans-76.5-12.6179.6-63.6179.911.500113.2
219A91.7Very high86.4Confident56 Ų5651 Ų5146%0.46329%0.288SS..THydrogen-bonded Turntrans-94.8-35.6-17500000113.5H197 C217H197-A219 HydrophobicContact CB-CB 3.95Å; H197-A219 WeakPolarHBondContact ND1-CB 3.37Å; C217-A219 VanDerWaalsContact C-N 3.26Å; C217-A219 PolarHBondContact O-N 2.89Å; C217-A219 PolarHBondContact SG-N 3.23Å
220C91.3Very high88.1Confident54 Ų5449.7 Ų49.737%0.36528%0.275SS..THydrogen-bonded Turntrans-118.28.3-178.363.50000113.5H191 C195 C217 Y222H191-C220 PolarHBondContact NE2-SG 2.93Å; H191-C220 VanDerWaalsContact NE2-SG 3.38Å; C195-C220 HydrophobicContact CB-CB 4.08Å; C217-C220 VanDerWaalsContact SG-SG 3.66Å; C220-Y222 PolarHBondContact O-N 3.37Å; C220-Y222 VanDerWaalsContact SG-CB 3.52Å
221D87.9Confident89.5Confident144 Ų14450.5 Ų50.577%0.7728%0.282SS*.  trans54.118.8-176.4-62.6-38.1000114.7C217 L223C217-D221 WeakPolarHBondContact O-CA 3.46Å; C217-D221 PolarHBondContact O-N 3.45Å; D221-L223 PolarHBondContact O-N 2.98Å
222Y91.9Very high90.2Very high42 Ų4252.2 Ų52.217%0.16529%0.287CS..  trans-63.7128.5174.9-179.4-95.2000109.7E190 H191 I215 S216 C217 C220 S224E190-Y222 HydrophobicContact CG-CE2 4.08Å; E190-Y222 PolarHBondContact OE2-OH 3.16Å; H191-Y222 HydrophobicContact CB-CD1 4.03Å; H191-Y222 HydrophobicContact CB-CE1 4.03Å; H191-Y222 HydrophobicContact CB-CG 4.4Å; H191-Y222 AromaticContact CD2-CD1 3.89Å; H191-Y222 AromaticContact CD2-CG 3.91Å; I215-Y222 HydrophobicContact CG2-CE1 3.85Å; S216-Y222 CarbonylContact C-O 3.59Å; S216-Y222 WeakPolarHBondContact CA-O 3.34Å; C217-Y222 PolarHBondContact N-O 3.41Å; C220-Y222 PolarHBondContact O-N 3.37Å; C220-Y222 VanDerWaalsContact SG-CB 3.52Å; Y222-S224 WeakPolarHBondContact OH-CB 3.23Å
223L92.1Very high90.6Very high115 Ų11554.7 Ų54.760%0.60230%0.3SS*.EExtended strand (participates in β ladder)trans-139.8125.5177.1176.468.3000108.9M214 I215 D221M214-L223 HydrophobicContact CE-CD1 4.43Å; I215-L223 WeakPolarHBondContact O-CA 3.24Å; D221-L223 PolarHBondContact O-N 2.98Å
224S91.3Very high90.6Very high20 Ų2058.4 Ų58.414%0.1432%0.32CS..EExtended strand (participates in β ladder)trans-146.5155178.4-165.80000112.3R187 M214 I215 Y222R187-S224 WeakPolarHBondContact CD-OG 3.17Å; R187-S224 PolarHBondContact NE-OG 3.23Å; R187-S224 VanDerWaalsContact NE-OG 3.15Å; M214-S224 WeakPolarHBondContact CA-O 3.37Å; I215-S224 WeakPolarHBondContact CG2-O 3.39Å; I215-S224 PolarHBondContact N-O 2.88Å; I215-S224 PolarHBondContact O-N 2.85Å; Y222-S224 WeakPolarHBondContact OH-CB 3.23Å
225I89.3Confident90.6Very high101 Ų10160 Ų6052%0.51833%0.331SS..EExtended strand (participates in β ladder)trans-92.9126.6174.9-58.1172.6000107.8R187 M214R187-I225 PolarHBondContact NE-O 3.41Å; M214-I225 HydrophobicContact CG-CG1 4.42Å
226V87.8Confident90.3Very high6 Ų665 Ų654%0.03636%0.358CS..  trans-91.2-46.2176.2-172.90000110.1L183 L184 R187 F201 L213 I215L183-V226 HydrophobicContact CB-CG1 4.12Å; L184-V226 HydrophobicContact CD2-CG1 3.76Å; L184-V226 HydrophobicContact CG-CG1 4.09Å; R187-V226 HydrophobicContact CG-CG2 4.35Å; F201-V226 HydrophobicContact CD1-CG2 4.4Å; F201-V226 HydrophobicContact CE1-CG2 4.06Å; L213-V226 HydrophobicContact CB-CB 4.3Å; L213-V226 HydrophobicContact CD2-CB 4.15Å; L213-V226 HydrophobicContact CD2-CG1 4.12Å; L213-V226 HydrophobicContact CG-CB 4.15Å; L213-V226 HydrophobicContact CG-CG2 4.45Å; L213-V226 WeakPolarHBondContact O-CB 3.41Å; L213-V226 PolarHBondContact O-N 2.97Å; I215-V226 HydrophobicContact CB-CG2 4.05Å; I215-V226 HydrophobicContact CG2-CG2 3.93Å
227L83.1Confident90Very high22 Ų2267.8 Ų67.812%0.11537%0.369CS..  trans-1360-179.7-73.7167.8000111.7I160 I168 R173 I175 L180 L183 S212 L213I160-L227 HydrophobicContact CD1-CD1 3.68Å; I168-L227 HydrophobicContact CD1-CD1 4.42Å; R173-L227 PolarHBondContact NH1-OXT 3.16Å; I175-L227 HydrophobicContact CD1-CD2 3.55Å; I175-L227 HydrophobicContact CG1-CD2 4.07Å; I175-L227 HydrophobicContact CG2-CD2 4.12Å; L180-L227 HydrophobicContact CD1-CD1 3.32Å; L180-L227 HydrophobicContact CD1-CD2 4.24Å; L180-L227 HydrophobicContact CD1-CG 3.84Å; L180-L227 HydrophobicContact CD2-CD1 4.5Å; L180-L227 HydrophobicContact CG-CD1 4.47Å; L183-L227 HydrophobicContact CD1-CD2 3.92Å; S212-L227 CarbonylContact C-O 3.45Å; S212-L227 WeakPolarHBondContact CA-O 3.5Å; S212-L227 WeakPolarHBondContact CB-O 3.24Å; S212-L227 PolarHBondContact OG-O 3.28Å; L213-L227 HydrophobicContact CB-CB 3.99Å; L213-L227 HydrophobicContact CB-CD1 4.35Å; L213-L227 HydrophobicContact CD2-CD1 4.23Å; L213-L227 PolarHBondContact N-O 3.15Å; L213-L227 PolarHBondContact O-N 3.25Å

Retrieved 227 of 227 residues in 35.8 ms (Link to these results)