A0A087XM70_POEFO Loading...

Lin-37 DREAM MuvB core complex component

AlphaFold DB , UniProt , Accession A0A087XM70, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 241 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
1M37Very low46.7Very low222 Ų222174.3 Ų174.3100%1.09484%0.844SS**  0113.60-65.3-162.717900107.9
2H38.3Very low47.4Very low192 Ų192168.5 Ų168.589%0.88982%0.82SS**  trans-100.2121.1-177.8-70.2-54.4000110.2V4H2-V4 PolarHBondContact O-N 3.47Å
3H39.7Very low48.2Very low179 Ų179167.4 Ų167.483%0.82982%0.819SS**  trans-76.9111.4178.1-66.6-91.1000110.1
4V42.9Very low48.8Very low128 Ų128166.1 Ų166.178%0.77681%0.811SS**  trans-85112.5170.81780000108.2H2 I6H2-V4 PolarHBondContact O-N 3.47Å; V4-I6 PolarHBondContact O-N 3.37Å
5K46.3Very low49.4Very low201 Ų201160.1 Ų160.187%0.87479%0.792SS**  trans-77.1105.4172.2-70.4-179.4178.6178.60108.8K7K5-K7 PolarHBondContact O-N 3.02Å
6I52.4Low50.5Low148 Ų148156.3 Ų156.376%0.75978%0.78SS**  trans-74.9118.6171.5-61.2169.9000107.4V4 T8V4-I6 PolarHBondContact O-N 3.37Å; I6-T8 PolarHBondContact O-N 3.07Å
7K47.8Very low52Low205 Ų205148.8 Ų148.889%0.89175%0.753SS**  trans-82.9102.8174.4-167.2155.3-179.9174.80107.8K5 E9K5-K7 PolarHBondContact O-N 3.02Å; K7-E9 PolarHBondContact O-N 3.44Å
8T51.3Low53.4Low126 Ų126143.1 Ų143.177%0.77373%0.732SS**PPolyproline II helixtrans-66.7116.8176.1-37.70000109I6I6-T8 PolarHBondContact O-N 3.07Å
9E51.8Low54.8Low179 Ų179145.2 Ų145.284%0.83673%0.73SS**PPolyproline II helixtrans-65.6140.8172.9-164.9176.5-169.900109.7K7K7-E9 PolarHBondContact O-N 3.44Å
10R52.9Low56.5Low230 Ų230140 Ų14087%0.86872%0.715SS**PPolyproline II helixtrans-65133.8176.6-85.1-174.3172164.4-2.6109.1D12R10-D12 PolarHBondContact O-N 2.91Å
11P53.7Low58.1Low107 Ų107141 Ų14170%0.69571%0.71SS**PPolyproline II helixtrans-64.7123173.626.9-32000109.2L13P11-L13 PolarHBondContact O-N 3.01Å; P11-L13 VanDerWaalsContact O-N 3.09Å
12D54.7Low60.5Low105 Ų105135.1 Ų135.156%0.56168%0.682SS**  trans-65.2106.1176.8-165.31.2000109.3R10 E14 S15 T16R10-D12 PolarHBondContact O-N 2.91Å; D12-E14 PolarHBondContact O-N 3.04Å; D12-E14 VanDerWaalsContact O-N 3.13Å; D12-S15 PolarHBondContact O-N 2.88Å; D12-S15 VanDerWaalsContact O-N 3.15Å; D12-T16 PolarHBondContact O-N 3.22Å
13L57.7Low63Low154 Ų154129.8 Ų129.881%0.80666%0.66SS**Hα-helixtrans-56.7-29.7-176.3-121.897.5000111.3P11 G17P11-L13 PolarHBondContact O-N 3.01Å; P11-L13 VanDerWaalsContact O-N 3.09Å; L13-G17 PolarHBondContact O-N 2.98Å
14E57.3Low65.4Low149 Ų149124.3 Ų124.370%0.69665%0.646SS**Hα-helixtrans-71.8-37.4-177.8-138172.6-167.700112.2D12 G17 A18D12-E14 PolarHBondContact O-N 3.04Å; D12-E14 VanDerWaalsContact O-N 3.13Å; E14-G17 PolarHBondContact O-N 3.29Å; E14-A18 WeakPolarHBondContact O-CB 3.25Å; E14-A18 PolarHBondContact O-N 2.91Å
15S57Low67.8Low77 Ų77123.1 Ų123.154%0.53864%0.639SS.*Hα-helixtrans-67.5-36.4177-166.70000112D12 A18 R19D12-S15 PolarHBondContact O-N 2.88Å; D12-S15 VanDerWaalsContact O-N 3.15Å; S15-A18 PolarHBondContact O-N 2.77Å; S15-R19 WeakPolarHBondContact O-CB 3.24Å; S15-R19 PolarHBondContact O-N 3.17Å; S15-R19 VanDerWaalsContact O-N 3.1Å
16T67.3Low69.9Low98 Ų98117.8 Ų117.860%0.60162%0.619SS**Hα-helixtrans-68.9-40175.9-48.80000111.2D12 R19 G20D12-T16 PolarHBondContact O-N 3.22Å; T16-R19 PolarHBondContact O-N 3.18Å; T16-G20 PolarHBondContact O-N 2.96Å; T16-G20 VanDerWaalsContact O-N 3.09Å
17G76.8Confident71.6Confident30 Ų30117.3 Ų117.331%0.30961%0.612SS.*Hα-helixtrans-66.7-40.1174.300000113.4L13 E14 R19 G20 R21L13-G17 PolarHBondContact O-N 2.98Å; E14-G17 PolarHBondContact O-N 3.29Å; G17-R19 VanDerWaalsContact C-N 3.34Å; G17-R19 PolarHBondContact O-N 3.35Å; G17-G20 PolarHBondContact O-N 3.48Å; G17-R21 WeakPolarHBondContact O-CG 3.24Å; G17-R21 PolarHBondContact O-N 3.17Å; G17-R21 VanDerWaalsContact O-N 3.09Å; G17-R21 PolarHBondContact O-NH1 2.67Å
18A75.9Confident73.4Confident46 Ų46109.1 Ų109.138%0.3859%0.586SS.*Hα-helixtrans-63-40.9176.500000112.2E14 S15 R21 L22E14-A18 WeakPolarHBondContact O-CB 3.25Å; E14-A18 PolarHBondContact O-N 2.91Å; S15-A18 PolarHBondContact O-N 2.77Å; A18-R21 PolarHBondContact O-N 2.96Å; A18-L22 PolarHBondContact O-N 3.2Å; A18-L22 VanDerWaalsContact O-N 3.15Å
19R80.1Confident75.1Confident182 Ų182108.9 Ų108.969%0.68758%0.579SS**Hα-helixtrans-66.6-42.7176.9-166.2168.7-179.7169.6-0.8112.4S15 T16 G17 R21 L22 D23S15-R19 WeakPolarHBondContact O-CB 3.24Å; S15-R19 PolarHBondContact O-N 3.17Å; S15-R19 VanDerWaalsContact O-N 3.1Å; T16-R19 PolarHBondContact O-N 3.18Å; G17-R19 VanDerWaalsContact C-N 3.34Å; G17-R19 PolarHBondContact O-N 3.35Å; R19-R21 VanDerWaalsContact C-N 3.34Å; R19-R21 PolarHBondContact O-N 2.78Å; R19-L22 PolarHBondContact O-N 2.81Å; R19-D23 PolarHBondContact O-N 3.01Å
20G89.7Confident76.7Confident42 Ų42104.6 Ų104.643%0.43357%0.565SS.*Hα-helixtrans-61.8-38.5175.400000113.4T16 G17 D23 A24T16-G20 PolarHBondContact O-N 2.96Å; T16-G20 VanDerWaalsContact O-N 3.09Å; G17-G20 PolarHBondContact O-N 3.48Å; G20-D23 PolarHBondContact O-N 2.89Å; G20-A24 WeakPolarHBondContact O-CB 3.4Å; G20-A24 PolarHBondContact O-N 2.94Å
21R89.1Confident78.1Confident160 Ų16099.4 Ų99.460%0.60455%0.55SS**Hα-helixtrans-64.4-41.7174.7-71.4-172.6-62.7-92.56.9112.3G17 A18 R19 A24 V25G17-R21 WeakPolarHBondContact O-CG 3.24Å; G17-R21 PolarHBondContact O-N 3.17Å; G17-R21 VanDerWaalsContact O-N 3.09Å; G17-R21 PolarHBondContact O-NH1 2.67Å; A18-R21 PolarHBondContact O-N 2.96Å; R19-R21 VanDerWaalsContact C-N 3.34Å; R19-R21 PolarHBondContact O-N 2.78Å; R21-A24 PolarHBondContact O-N 2.7Å; R21-V25 WeakPolarHBondContact O-CG2 3.21Å; R21-V25 PolarHBondContact O-N 2.9Å; R21-V25 VanDerWaalsContact O-N 3.13Å
22L88.4Confident79.1Confident100 Ų100101.8 Ų101.852%0.52455%0.55SS..Hα-helixtrans-64.2-46176.5-179.566.3000111.4A18 R19 A24 V25 L26A18-L22 PolarHBondContact O-N 3.2Å; A18-L22 VanDerWaalsContact O-N 3.15Å; R19-L22 PolarHBondContact O-N 2.81Å; L22-A24 VanDerWaalsContact C-N 3.29Å; L22-A24 PolarHBondContact O-N 3.23Å; L22-V25 PolarHBondContact O-N 3.41Å; L22-L26 HydrophobicContact CD1-CD1 4.35Å; L22-L26 HydrophobicContact CD1-CG 4.38Å; L22-L26 HydrophobicContact CG-CD1 4.03Å; L22-L26 HydrophobicContact CG-CG 4.44Å; L22-L26 WeakPolarHBondContact O-CG 3.34Å; L22-L26 PolarHBondContact O-N 2.87Å
23D90.2Very high79.9Confident80 Ų8099.6 Ų99.643%0.42854%0.543SS..Hα-helixtrans-61.9-37.7179.1-77.2-16.8000111.9R19 G20 K27R19-D23 PolarHBondContact O-N 3.01Å; G20-D23 PolarHBondContact O-N 2.89Å; D23-K27 WeakPolarHBondContact O-CB 3.25Å; D23-K27 WeakPolarHBondContact O-CG 3.2Å; D23-K27 PolarHBondContact O-N 3.03Å
24A91.1Very high80.3Confident64 Ų6498.9 Ų98.953%0.52954%0.535SS..Hα-helixtrans-65.2-42.717500000112.5G20 R21 L22 K27 G28G20-A24 WeakPolarHBondContact O-CB 3.4Å; G20-A24 PolarHBondContact O-N 2.94Å; R21-A24 PolarHBondContact O-N 2.7Å; L22-A24 VanDerWaalsContact C-N 3.29Å; L22-A24 PolarHBondContact O-N 3.23Å; A24-K27 PolarHBondContact O-N 3.22Å; A24-G28 PolarHBondContact O-N 3.13Å
25V92.6Very high80.2Confident102 Ų10298.4 Ų98.462%0.61854%0.537SS*.Hα-helixtrans-65-42.9176.7171.40000111.2R21 L22 G28 L29R21-V25 WeakPolarHBondContact O-CG2 3.21Å; R21-V25 PolarHBondContact O-N 2.9Å; R21-V25 VanDerWaalsContact O-N 3.13Å; L22-V25 PolarHBondContact O-N 3.41Å; V25-G28 PolarHBondContact O-N 2.96Å; V25-L29 PolarHBondContact O-N 2.91Å
26L89.6Confident80.2Confident89 Ų89102.7 Ų102.747%0.46655%0.549SS..Hα-helixtrans-64.6-43.1178.4-71.8174000111.8L22 L29 V30L22-L26 HydrophobicContact CD1-CD1 4.35Å; L22-L26 HydrophobicContact CD1-CG 4.38Å; L22-L26 HydrophobicContact CG-CD1 4.03Å; L22-L26 HydrophobicContact CG-CG 4.44Å; L22-L26 WeakPolarHBondContact O-CG 3.34Å; L22-L26 PolarHBondContact O-N 2.87Å; L26-L29 PolarHBondContact O-N 3.15Å; L26-V30 WeakPolarHBondContact O-CG2 3.45Å; L26-V30 PolarHBondContact O-N 2.82Å
27K88.4Confident79.4Confident139 Ų139107.7 Ų107.760%0.60456%0.557SS**Hα-helixtrans-59.2-47.4173.6-80.7171169.3-78.40111.7D23 A24 L29 V30 E31D23-K27 WeakPolarHBondContact O-CB 3.25Å; D23-K27 WeakPolarHBondContact O-CG 3.2Å; D23-K27 PolarHBondContact O-N 3.03Å; A24-K27 PolarHBondContact O-N 3.22Å; K27-L29 VanDerWaalsContact C-N 3.28Å; K27-L29 PolarHBondContact O-N 2.75Å; K27-V30 PolarHBondContact O-N 3.02Å; K27-E31 WeakPolarHBondContact O-CG 3.43Å; K27-E31 PolarHBondContact O-N 3.2Å
28G86.4Confident77.7Confident33 Ų33113.8 Ų113.834%0.3458%0.577SS.*Hα-helixtrans-61.1-34.9177.400000113.2A24 V25 K32A24-G28 PolarHBondContact O-N 3.13Å; V25-G28 PolarHBondContact O-N 2.96Å; G28-K32 WeakPolarHBondContact O-CB 3.23Å; G28-K32 PolarHBondContact O-N 3.12Å; G28-K32 VanDerWaalsContact O-N 3.07Å
29L85.9Confident76.2Confident121 Ų121117.1 Ų117.163%0.63460%0.595SS**Hα-helixtrans-71.9-37.7176.6-157.775.4000112.2V25 L26 K27 S33V25-L29 PolarHBondContact O-N 2.91Å; L26-L29 PolarHBondContact O-N 3.15Å; K27-L29 VanDerWaalsContact C-N 3.28Å; K27-L29 PolarHBondContact O-N 2.75Å; L29-S33 WeakPolarHBondContact O-CB 3.46Å; L29-S33 PolarHBondContact O-N 3.25Å; L29-S33 PolarHBondContact O-OG 3.02Å
30V86Confident74Confident88 Ų88116.2 Ų116.253%0.53360%0.604SS.*Hα-helixtrans-65.4-50.2175.8169.80000110.7L26 K27 K32 S33 E34L26-V30 WeakPolarHBondContact O-CG2 3.45Å; L26-V30 PolarHBondContact O-N 2.82Å; K27-V30 PolarHBondContact O-N 3.02Å; V30-K32 VanDerWaalsContact C-N 3.29Å; V30-K32 PolarHBondContact O-N 3.33Å; V30-S33 PolarHBondContact O-N 2.99Å; V30-S33 VanDerWaalsContact O-N 3.09Å; V30-S33 PolarHBondContact O-OG 3.3Å; V30-E34 PolarHBondContact O-N 3.2Å
31E82.3Confident71.8Confident122 Ų122123 Ų12357%0.5762%0.624SS**Hα-helixtrans-60.5-39.6178.5-70.7168.7-175.400111.5K27 S33 E34 N35K27-E31 WeakPolarHBondContact O-CG 3.43Å; K27-E31 PolarHBondContact O-N 3.2Å; E31-S33 VanDerWaalsContact C-N 3.35Å; E31-S33 PolarHBondContact O-N 3.38Å; E31-E34 PolarHBondContact O-N 3.32Å; E31-N35 WeakPolarHBondContact O-CB 3.35Å; E31-N35 PolarHBondContact O-N 3.31Å
32K74.7Confident69.1Low156 Ų156122.9 Ų122.968%0.67864%0.635SS**Hα-helixtrans-68.1-33.6176.5-158.4164.6-178.9178.90112.4G28 V30 E36G28-K32 WeakPolarHBondContact O-CB 3.23Å; G28-K32 PolarHBondContact O-N 3.12Å; G28-K32 VanDerWaalsContact O-N 3.07Å; V30-K32 VanDerWaalsContact C-N 3.29Å; V30-K32 PolarHBondContact O-N 3.33Å; K32-E36 WeakPolarHBondContact O-CG 3.45Å; K32-E36 PolarHBondContact O-N 3.05Å
33S70.7Confident67.2Low60 Ų60123.4 Ų123.442%0.4265%0.645SS.*Hα-helixtrans-74.7-25.1173.975.20000113.9L29 V30 E31L29-S33 WeakPolarHBondContact O-CB 3.46Å; L29-S33 PolarHBondContact O-N 3.25Å; L29-S33 PolarHBondContact O-OG 3.02Å; V30-S33 PolarHBondContact O-N 2.99Å; V30-S33 VanDerWaalsContact O-N 3.09Å; V30-S33 PolarHBondContact O-OG 3.3Å; E31-S33 VanDerWaalsContact C-N 3.35Å; E31-S33 PolarHBondContact O-N 3.38Å
34E66.1Low64.6Low138 Ų138123.1 Ų123.165%0.64566%0.661SS**Hα-helixtrans-79.4-38175.9-171.4167.4-154.100110.9V30 E31 E36 R37V30-E34 PolarHBondContact O-N 3.2Å; E31-E34 PolarHBondContact O-N 3.32Å; E34-E36 VanDerWaalsContact C-N 3.3Å; E34-E36 PolarHBondContact O-N 3.41Å; E34-R37 WeakPolarHBondContact O-CB 3.5Å; E34-R37 PolarHBondContact O-N 3.1Å
35N56.1Low62Low139 Ų139129.5 Ų129.574%0.74368%0.677SS**Hα-helixtrans-73.4-16.4176.7-158.888.1000114.1E31 R37E31-N35 WeakPolarHBondContact O-CB 3.35Å; E31-N35 PolarHBondContact O-N 3.31Å; N35-R37 VanDerWaalsContact C-N 3.28Å
36E56.4Low59.7Low168 Ų168132.3 Ų132.379%0.78569%0.688SS**THydrogen-bonded Turntrans-84.4-0.1171.7-67.7-105.1135.400112.6K32 E34K32-E36 WeakPolarHBondContact O-CG 3.45Å; K32-E36 PolarHBondContact O-N 3.05Å; E34-E36 VanDerWaalsContact C-N 3.3Å; E34-E36 PolarHBondContact O-N 3.41Å
37R52Low57.1Low203 Ų203133.8 Ų133.877%0.76671%0.705SS**  trans-104.312.3-173.8-150177.4-79.9176-3.7114.4E34 N35E34-R37 WeakPolarHBondContact O-CB 3.5Å; E34-R37 PolarHBondContact O-N 3.1Å; N35-R37 VanDerWaalsContact C-N 3.28Å
38E40.8Very low55Low158 Ų158133.6 Ų133.674%0.73872%0.716SS**SBendtrans-86.6140.6164.2-73.4-68.3126.100109.8N40E38-N40 PolarHBondContact O-N 3.3Å
39P43.5Very low52.7Low116 Ų116139.3 Ų139.375%0.75374%0.738SS**  trans-74.2113.7-161.929.8-32.8000111.5E41P39-E41 PolarHBondContact O-N 3.07Å
40N35.1Very low50.3Low162 Ų162138 Ų13887%0.86675%0.745SS**  trans-72.1113.5163.6-114.7-40.2000108.6E38E38-N40 PolarHBondContact O-N 3.3Å
41E42.1Very low48.2Very low186 Ų186141.1 Ų141.187%0.86976%0.758SS**  trans-91.5128.7155.5-71-150.7133.800110P39P39-E41 PolarHBondContact O-N 3.07Å
42D32.5Very low46.2Very low156 Ų156143.8 Ų143.883%0.83478%0.776SS**  trans98.6135.7156.2-142.950.4000119.6
43P49.5Very low44.7Very low111 Ų111144.5 Ų144.572%0.72178%0.779SS**  trans-102.4147.4-159.539.6-31.7000113.3
44G35.8Very low43.1Very low75 Ų75148.4 Ų148.477%0.77380%0.796SS**  trans137.1137.1148.600000115.4
45K34.6Very low41.8Very low198 Ų198149.3 Ų149.386%0.86180%0.804SS**  trans97.397.3153.3-130.4173.5-174.1-177.40117.5
46L45.3Very low40.9Very low161 Ų161148.3 Ų148.384%0.84381%0.808SS**  trans28.1118.9135.1-55.4173.8000118.7
47S34.6Very low40.3Very low119 Ų119146.5 Ų146.583%0.83281%0.811SS**  trans-158.588.2142-169.20000111
48V45.4Very low39.6Very low136 Ų136142.6 Ų142.682%0.82481%0.814SS**  trans-89.1100.5158.9-85.50000107.2
49D37.9Very low39.7Very low152 Ų152140.7 Ų140.781%0.81382%0.819SS**  trans165.3113.7147.3-112.8-62.4000110
50A34.1Very low39.4Very low95 Ų95139.6 Ų139.679%0.78582%0.819SS**  trans-168.7104.2146.100000110.7
51L43.1Very low39.6Very low153 Ų153135.7 Ų135.780%0.80182%0.817SS**  trans83.773.9137.4-135.974.7000118.4
52N39.5Very low39.8Very low178 Ų178136.5 Ų136.595%0.95282%0.818SS**  trans-113.198.3143.1-96.7-82.8000108.4
53K43.7Very low40.8Very low171 Ų171140.4 Ų140.474%0.74382%0.821SS**  trans-136.5140.2170.4-123.6169.7179.5175.70108
54D37.3Very low40.6Very low142 Ų142141.5 Ų141.576%0.75983%0.828SS**  trans83.4123.1168.7-49.6-28.5000113.4
55L37.8Very low40.9Very low157 Ų157143.6 Ų143.682%0.82283%0.831SS**  cis-157.9140.327.3-67.2163.9000110.3
56S37.5Very low41.2Very low118 Ų118138.6 Ų138.683%0.82583%0.826SS**  -174.7133.8129.3-82.80000112.1
57P43.7Very low41.4Very low130 Ų130141.9 Ų141.984%0.84483%0.828SS**  trans-85.5136.7-170.733.5-33.4000112.9
58S37.6Very low42.1Very low120 Ų120146 Ų14684%0.83983%0.831SS**  trans-80.4130160.8-176.50000109.2
59S42.3Very low42.3Very low119 Ų119145 Ų14583%0.83283%0.827SS**  trans-117.9129.1161.464.40000110.2
60A38.8Very low43.1Very low93 Ų93147.3 Ų147.377%0.76983%0.833SS**  trans-83.8136.8-170.900000111.9
61G37.7Very low43.8Very low79 Ų79151.8 Ų151.881%0.81484%0.837SS**  trans-126.396.7167.400000110.6
62K47.8Very low43.8Very low204 Ų204155 Ų15589%0.88784%0.839SS**  trans-72.1130.1174.6-64.8174.3177177.10110.2
63R53.3Low44.3Very low238 Ų238158 Ų15890%0.89884%0.837SS**  trans-137.5137.3155.8-79.9-172.1175169-1.2110.1
64P44.1Very low45Very low133 Ų133159.9 Ų159.986%0.86485%0.845SS**PPolyproline II helixtrans-78.5129.3-174.430.9-31.6000110.9
65S42Very low45.5Very low120 Ų120162.7 Ų162.784%0.83985%0.85SS**PPolyproline II helixtrans-83.4122.5170.9-1750000109.4
66A41.5Very low46.2Very low93 Ų93165.3 Ų165.377%0.76985%0.849SS**PPolyproline II helixtrans-69.9126.4179.100000111
67R50.2Low47.2Very low230 Ų230169.2 Ų169.287%0.86885%0.851SS**PPolyproline II helixtrans-61.2131.8169.4-81.1176.9-102.1-163.2-7.5110.8
68F49Very low47.5Very low206 Ų206170.6 Ų170.690%0.90485%0.847SS**  trans-158154.7144-87.3-57.2000110.7
69P49.9Very low47.7Very low114 Ų114173.7 Ų173.774%0.7485%0.85SS**  -108.1157.8-129.99.313.5000114.7H71P69-H71 PolarHBondContact O-N 3.42Å
70Q53.3Low47.6Very low201 Ų201175.3 Ų175.394%0.93985%0.849SS**  trans-54.7118.4166.5-73171.4-49.800111
71H49Very low47.8Very low189 Ų189179.7 Ų179.788%0.87585%0.854SS**  trans-109.9132.3163.5-143.9-79.4000111.6P69P69-H71 PolarHBondContact O-N 3.42Å
72R43Very low48Very low220 Ų220179.3 Ų179.383%0.8385%0.85SS**  trans-75.1136.4-169-133166.180.8176.97.6111.7
73R49.9Very low47.7Very low242 Ų242176.7 Ų176.791%0.91384%0.844SS**  trans25.7125.1147.9-73.4175.9153164-5.8119.5
74K59.2Low47Very low209 Ų209170.9 Ų170.991%0.90984%0.837SS**  trans-143117.5136.8-164.6169.7178.41770111.6
75K48.6Very low47Very low202 Ų202172.1 Ų172.188%0.87883%0.831SS**  trans-64.3122.9174.5-171.5-176-174.1-176.50109.3
76R51.7Low47.1Very low211 Ų211172.1 Ų172.180%0.79683%0.826SS**  trans-116.2124.2158-162.4177.9-166.8-143.15.7107.8E78R76-E78 PolarHBondContact O-N 2.94Å
77K58.3Low47.1Very low200 Ų200173.4 Ų173.487%0.8782%0.82SS**  trans-69.8114.7176.1-177.9178.6-179.3-177.30106.9
78E50.6Low46.9Very low160 Ų160169.1 Ų169.175%0.74881%0.81SS**  trans-111.4146.4165-67.3-15816100109.6R76R76-E78 PolarHBondContact O-N 2.94Å
79M42Very low47.2Very low184 Ų184166.3 Ų166.391%0.90680%0.8SS**  trans-77.7131.2-163.8-159.2141.266.300108.8E81M79-E81 PolarHBondContact O-N 3.08Å
80D40.6Very low47.3Very low154 Ų154168.2 Ų168.282%0.82480%0.796SS**  trans-75.1106.9178.1179.832.8000109.3
81E42.5Very low47.5Very low184 Ų184166.7 Ų166.786%0.8679%0.789SS**  trans-125.290.9161.1-88.2-124.212600108.5M79M79-E81 PolarHBondContact O-N 3.08Å
82G41.8Very low48Very low71 Ų71162.6 Ų162.673%0.73277%0.774SS**  trans56.767.6132.300000118.3
83I40.7Very low49.7Very low150 Ų150155.8 Ų155.877%0.76976%0.764SS**  trans-111.4126.3155.2-64.8169.7000106.8E85I83-E85 PolarHBondContact O-N 3.19Å
84P40.3Very low51.5Low115 Ų115150.8 Ų150.875%0.74775%0.746SS**  trans-62.7118.2-177.124.6-32.2000110T86P84-T86 PolarHBondContact O-N 3.04Å
85E43.4Very low53Low159 Ų159145.8 Ų145.874%0.74373%0.729SS**  trans-58.3105173.9-61.8-150.8159.100110I83I83-E85 PolarHBondContact O-N 3.19Å
86T44.6Very low55Low120 Ų120140 Ų14074%0.73671%0.707SS**  trans-108.7123.3155.358.80000107.2P84P84-T86 PolarHBondContact O-N 3.04Å
87N40.9Very low56.9Low120 Ų120136.9 Ų136.964%0.64270%0.699SS**  trans89.977173.6-62.6-70.3000117.5H89N87-H89 PolarHBondContact O-N 2.66Å; N87-H89 PolarHBondContact OD1-CE1 3Å; N87-H89 PolarHBondContact OD1-ND1 2.75Å
88Q46.8Very low58.4Low140 Ų140131 Ų13165%0.65468%0.676SS**  trans-65.449.6152.6-62.6177.6-3.700112.8K90Q88-K90 PolarHBondContact O-N 3.32Å
89H54.5Low59.9Low147 Ų147131.9 Ų131.968%0.68168%0.678SS**  trans-80.268.1168.4-73.396.8000109.6N87 Q91N87-H89 PolarHBondContact O-N 2.66Å; N87-H89 PolarHBondContact OD1-CE1 3Å; N87-H89 PolarHBondContact OD1-ND1 2.75Å; H89-Q91 PolarHBondContact O-N 3.24Å
90K52.2Low62Low154 Ų154128.9 Ų128.967%0.6767%0.666SS**  trans-67122.9174.9-71.4173.4177.7169.80109.3Q88Q88-K90 PolarHBondContact O-N 3.32Å
91Q56.8Low64.4Low169 Ų169124.5 Ų124.579%0.7964%0.638SS**SBendtrans92.83.6151.5-49.3-49.8-43.200122.7H89H89-Q91 PolarHBondContact O-N 3.24Å
92N60.9Low66.6Low104 Ų104117.9 Ų117.956%0.55661%0.612SS**  trans-120.887.1169.1-63.5-41.6000111.2Y94 A106N92-Y94 HydrophobicContact CB-CD2 4.08Å; N92-Y94 HydrophobicContact CB-CE2 3.4Å; N92-Y94 PolarHBondContact O-N 3.11Å; N92-A106 VanDerWaalsContact O-CB 3.25Å; N92-A106 WeakPolarHBondContact O-CB 3.34Å
93A77.9Confident69.1Low76 Ų76115 Ų11563%0.62858%0.58SS**  trans-77.6108.9170.800000109.2I95A93-I95 HydrophobicContact CB-CD1 4.4Å; A93-I95 HydrophobicContact CB-CG1 4.45Å
94Y87.8Confident71.5Confident137 Ų137110.5 Ų110.554%0.53756%0.557SS.*  trans-103.676177.8-66.1-67.6000109.7N92 L105N92-Y94 HydrophobicContact CB-CD2 4.08Å; N92-Y94 HydrophobicContact CB-CE2 3.4Å; N92-Y94 PolarHBondContact O-N 3.11Å; Y94-L105 VanDerWaalsContact O-CB 3.24Å; Y94-L105 WeakPolarHBondContact O-CB 3.32Å; Y94-L105 PolarHBondContact O-N 3.36Å
95I90.7Very high73.9Confident104 Ų104107.6 Ų107.653%0.53354%0.535SS..EExtended strand (participates in β ladder)trans-95.2124.5-175.4-57.1171.1000109.9A93 V103 D104A93-I95 HydrophobicContact CB-CD1 4.4Å; A93-I95 HydrophobicContact CB-CG1 4.45Å; I95-V103 WeakPolarHBondContact CA-O 3.24Å; I95-D104 HydrophobicContact CG1-CB 4.19Å
96I91.1Very high76.2Confident82 Ų82101.8 Ų101.842%0.42152%0.515SS..EExtended strand (participates in β ladder)trans-102.3133.4169.1-51.8-172.4000109L98 S102 V103 L105I96-L98 HydrophobicContact CB-CD1 4.39Å; I96-L98 HydrophobicContact CG2-CD1 3.36Å; I96-S102 WeakPolarHBondContact O-CA 3.43Å; I96-V103 HydrophobicContact CB-CG1 4.32Å; I96-V103 PolarHBondContact N-O 3.32Å; I96-V103 PolarHBondContact O-N 3.3Å; I96-L105 HydrophobicContact CD1-CD1 3.45Å; I96-L105 VanDerWaalsContact CD1-CD1 3.45Å; I96-L105 HydrophobicContact CD1-CG 4.29Å; I96-L105 HydrophobicContact CG1-CD1 3.79Å; I96-L105 HydrophobicContact CG1-CG 4.25Å
97K91.2Very high78.3Confident145 Ų145101.6 Ų101.663%0.6351%0.505SS*.EExtended strand (participates in β ladder)trans-112.2123.9175.3-171.8-179.9177.4-177.20110.9D100 R101K97-D100 IonicContact NZ-OD1 3.82Å; K97-R101 CarbonylContact C-O 3.55Å; K97-R101 VanDerWaalsContact CA-O 3.29Å; K97-R101 WeakPolarHBondContact CA-O 3.43Å; K97-R101 WeakPolarHBondContact CG-O 3.15Å
98L88.3Confident80.7Confident76 Ų7697.9 Ų97.940%0.39848%0.484SS..EExtended strand (participates in β ladder)trans-134.1131.7173-71.690.1000109.2I96 D100 R101 W121I96-L98 HydrophobicContact CB-CD1 4.39Å; I96-L98 HydrophobicContact CG2-CD1 3.36Å; L98-D100 PolarHBondContact O-N 3.1Å; L98-R101 PolarHBondContact N-O 2.95Å; L98-R101 WeakPolarHBondContact O-CB 3.32Å; L98-R101 PolarHBondContact O-N 2.89Å; L98-R101 VanDerWaalsContact O-O 3.08Å; L98-W121 HydrophobicContact CB-CZ2 3.87Å
99F83.9Confident82.8Confident179 Ų17995.9 Ų95.979%0.78548%0.477SS*.THydrogen-bonded Turntrans47.455.7172.8-58.2-74.6000113.7R101 W121F99-R101 PolarHBondContact O-N 2.89Å; F99-W121 HydrophobicContact CD2-CZ2 4.45Å
100D85.6Confident84.5Confident121 Ų12196.1 Ų96.165%0.64749%0.489SS*.THydrogen-bonded Turntrans598.1-177.2-65.4-36.5000116.9K97 L98 P126K97-D100 IonicContact NZ-OD1 3.82Å; L98-D100 PolarHBondContact O-N 3.1Å; D100-P126 WeakPolarHBondContact O-CG 3.47Å
101R90.3Very high86.5Confident61 Ų6194.2 Ų94.223%0.2349%0.491CS..EExtended strand (participates in β ladder)trans-109.1147.4173.8-57.6-171.8-169.1-179.48.9110.5K97 L98 F99 W121 M122 N124 N125K97-R101 CarbonylContact C-O 3.55Å; K97-R101 VanDerWaalsContact CA-O 3.29Å; K97-R101 WeakPolarHBondContact CA-O 3.43Å; K97-R101 WeakPolarHBondContact CG-O 3.15Å; L98-R101 PolarHBondContact N-O 2.95Å; L98-R101 WeakPolarHBondContact O-CB 3.32Å; L98-R101 PolarHBondContact O-N 2.89Å; L98-R101 VanDerWaalsContact O-O 3.08Å; F99-R101 PolarHBondContact O-N 2.89Å; R101-W121 VanDerWaalsContact CB-NE1 3.33Å; R101-M122 PolarHBondContact NH1-O 2.99Å; R101-N124 VanDerWaalsContact CB-O 3.32Å; R101-N124 WeakPolarHBondContact CB-O 3.42Å; R101-N124 VanDerWaalsContact CD-O 3.32Å; R101-N124 WeakPolarHBondContact CD-O 3.45Å; R101-N124 WeakPolarHBondContact CG-O 3.29Å; R101-N125 PolarHBondContact NE-OD1 3.33Å; R101-N125 PolarHBondContact NH2-ND2 3.44Å; R101-N125 PolarHBondContact NH2-OD1 3.34Å
102S89.6Confident88.3Confident45 Ų4587.7 Ų87.732%0.31546%0.463SS..EExtended strand (participates in β ladder)trans-121.7145.6176.3550000111I96 N124I96-S102 WeakPolarHBondContact O-CA 3.43Å; S102-N124 PolarHBondContact O-ND2 3.08Å; S102-N124 PolarHBondContact OG-ND2 2.98Å; S102-N124 VanDerWaalsContact OG-ND2 3.15Å
103V92.9Very high89.9Confident11 Ų1186.9 Ų86.97%0.06746%0.463CS..EExtended strand (participates in β ladder)trans-129.2122.8169.363.30000107.7I95 I96 L105 F108 I117 W121I95-V103 WeakPolarHBondContact CA-O 3.24Å; I96-V103 HydrophobicContact CB-CG1 4.32Å; I96-V103 PolarHBondContact N-O 3.32Å; I96-V103 PolarHBondContact O-N 3.3Å; V103-L105 HydrophobicContact CG1-CD2 4.35Å; V103-F108 HydrophobicContact CG2-CE2 3.95Å; V103-I117 HydrophobicContact CG2-CG2 4.15Å; V103-W121 HydrophobicContact CB-CB 4.02Å; V103-W121 HydrophobicContact CB-CG 4.5Å; V103-W121 HydrophobicContact CG1-CB 4.4Å; V103-W121 HydrophobicContact CG2-CB 4.37Å
104D92.3Very high90.7Very high55 Ų5589.2 Ų89.229%0.29446%0.464SS..EExtended strand (participates in β ladder)trans-76.6124.6169-169.8-2000107.9I95 A106 Q107 F108I95-D104 HydrophobicContact CG1-CB 4.19Å; D104-A106 VanDerWaalsContact OD1-CB 3.24Å; D104-A106 WeakPolarHBondContact OD1-CB 3.32Å; D104-A106 PolarHBondContact OD1-N 3.36Å; D104-Q107 VanDerWaalsContact O-CD 3.3Å; D104-Q107 WeakPolarHBondContact O-CG 3.31Å; D104-Q107 PolarHBondContact O-NE2 2.91Å; D104-F108 WeakPolarHBondContact O-CE2 3.43Å
105L91.2Very high91.1Very high55 Ų5589.5 Ų89.529%0.28847%0.465SS..SBendtrans-87.2-17.6175-62.2-177.8000112.2Y94 I96 V103 Q107 F108 I117Y94-L105 VanDerWaalsContact O-CB 3.24Å; Y94-L105 WeakPolarHBondContact O-CB 3.32Å; Y94-L105 PolarHBondContact O-N 3.36Å; I96-L105 HydrophobicContact CD1-CD1 3.45Å; I96-L105 VanDerWaalsContact CD1-CD1 3.45Å; I96-L105 HydrophobicContact CD1-CG 4.29Å; I96-L105 HydrophobicContact CG1-CD1 3.79Å; I96-L105 HydrophobicContact CG1-CG 4.25Å; V103-L105 HydrophobicContact CG1-CD2 4.35Å; L105-Q107 PolarHBondContact O-N 2.94Å; L105-F108 HydrophobicContact CD2-CD2 4.35Å; L105-F108 PolarHBondContact O-N 3.27Å; L105-I117 HydrophobicContact CD2-CG2 3.62Å
106A90.7Very high91.3Very high37 Ų3786.9 Ų86.931%0.30646%0.455SS..THydrogen-bonded Turntrans-65.1-19.517900000112.7N92 D104 F108N92-A106 VanDerWaalsContact O-CB 3.25Å; N92-A106 WeakPolarHBondContact O-CB 3.34Å; D104-A106 VanDerWaalsContact OD1-CB 3.24Å; D104-A106 WeakPolarHBondContact OD1-CB 3.32Å; D104-A106 PolarHBondContact OD1-N 3.36Å; A106-F108 VanDerWaalsContact C-N 3.26Å; A106-F108 PolarHBondContact O-N 3.39Å
107Q89.8Confident91.4Very high115 Ų11584.4 Ų84.454%0.53744%0.442SS..THydrogen-bonded Turntrans-77.3-7.7173.473.5-167.3-2400113.6D104 L105D104-Q107 VanDerWaalsContact O-CD 3.3Å; D104-Q107 WeakPolarHBondContact O-CG 3.31Å; D104-Q107 PolarHBondContact O-NE2 2.91Å; L105-Q107 PolarHBondContact O-N 2.94Å
108F91.3Very high91.5Very high43 Ų4379.8 Ų79.819%0.18943%0.428CS..SBendtrans-117.4146.9-179.8-54.5-68.3000111V103 D104 L105 A106 T112 P116 I117V103-F108 HydrophobicContact CG2-CE2 3.95Å; D104-F108 WeakPolarHBondContact O-CE2 3.43Å; L105-F108 HydrophobicContact CD2-CD2 4.35Å; L105-F108 PolarHBondContact O-N 3.27Å; A106-F108 VanDerWaalsContact C-N 3.26Å; A106-F108 PolarHBondContact O-N 3.39Å; F108-T112 HydrophobicContact CB-CG2 4.17Å; F108-T112 HydrophobicContact CD1-CG2 3.81Å; F108-T112 HydrophobicContact CG-CG2 4.26Å; F108-P116 HydrophobicContact CE1-CB 4.48Å; F108-I117 HydrophobicContact CB-CD1 4.41Å; F108-I117 HydrophobicContact CB-CG1 4.38Å; F108-I117 HydrophobicContact CD1-CG1 4.13Å; F108-I117 HydrophobicContact CD2-CB 4.33Å; F108-I117 HydrophobicContact CD2-CD1 4.35Å; F108-I117 HydrophobicContact CD2-CG1 3.77Å; F108-I117 HydrophobicContact CD2-CG2 4.09Å; F108-I117 HydrophobicContact CE1-CG1 4.34Å; F108-I117 HydrophobicContact CE2-CB 4.13Å; F108-I117 HydrophobicContact CE2-CG1 4.01Å; F108-I117 HydrophobicContact CE2-CG2 3.88Å; F108-I117 HydrophobicContact CG-CD1 4.36Å; F108-I117 HydrophobicContact CG-CG1 3.83Å; F108-I117 HydrophobicContact CZ-CB 4.41Å; F108-I117 HydrophobicContact CZ-CG1 4.28Å
109N90.4Very high91.8Very high98 Ų9881.3 Ų81.352%0.52443%0.428SS..  trans-89.5165.5172.660.539000110.8T111 T112N109-T111 PolarHBondContact O-N 2.93Å; N109-T111 VanDerWaalsContact O-N 3.17Å; N109-T111 VanDerWaalsContact OD1-C 3.31Å; N109-T111 PolarHBondContact OD1-N 2.98Å; N109-T111 PolarHBondContact OD1-OG1 3.24Å; N109-T112 PolarHBondContact N-OG1 3.45Å; N109-T112 VanDerWaalsContact O-CB 3.25Å; N109-T112 WeakPolarHBondContact O-CB 2.97Å; N109-T112 PolarHBondContact O-N 2.91Å; N109-T112 PolarHBondContact O-OG1 2.95Å; N109-T112 PolarHBondContact OD1-N 3.48Å; N109-T112 PolarHBondContact OD1-OG1 3.24Å
110T89.6Confident92.2Very high152 Ų15274.4 Ų74.493%0.93340%0.402SS*.THydrogen-bonded Turntrans-64.1-18.8178.751.60000113.6
111T94.6Very high92.5Very high114 Ų11471.7 Ų71.770%0.69938%0.383SS*.THydrogen-bonded Turntrans-86.7-4.5174.154.50000113.3N109 P113N109-T111 PolarHBondContact O-N 2.93Å; N109-T111 VanDerWaalsContact O-N 3.17Å; N109-T111 VanDerWaalsContact OD1-C 3.31Å; N109-T111 PolarHBondContact OD1-N 2.98Å; N109-T111 PolarHBondContact OD1-OG1 3.24Å; T111-P113 WeakPolarHBondContact O-CD 3.05Å
112T93.5Very high92.5Very high32 Ų3273.2 Ų73.220%0.19639%0.393CS..SBendtrans-73.1121.9-177.5-61.50000108.5F108 N109 P116 I117F108-T112 HydrophobicContact CB-CG2 4.17Å; F108-T112 HydrophobicContact CD1-CG2 3.81Å; F108-T112 HydrophobicContact CG-CG2 4.26Å; N109-T112 PolarHBondContact N-OG1 3.45Å; N109-T112 VanDerWaalsContact O-CB 3.25Å; N109-T112 WeakPolarHBondContact O-CB 2.97Å; N109-T112 PolarHBondContact O-N 2.91Å; N109-T112 PolarHBondContact O-OG1 2.95Å; N109-T112 PolarHBondContact OD1-N 3.48Å; N109-T112 PolarHBondContact OD1-OG1 3.24Å; T112-P116 HydrophobicContact CG2-CB 4.02Å; T112-P116 HydrophobicContact CG2-CG 4.21Å; T112-I117 HydrophobicContact CG2-CD1 4.36Å; T112-I117 HydrophobicContact CG2-CG1 4.04Å
113P95.4Very high92.5Very high86 Ų8679.7 Ų79.756%0.55841%0.411SS*.  trans-64157.317725.5-31.7000110.6T111 Y115 P116T111-P113 WeakPolarHBondContact O-CD 3.05Å; P113-Y115 PolarHBondContact O-N 3.08Å; P113-Y115 VanDerWaalsContact O-N 3.12Å; P113-P116 HydrophobicContact CG-CG 4.1Å; P113-P116 VanDerWaalsContact O-CD 3.24Å; P113-P116 WeakPolarHBondContact O-CD 3.37Å
114L94.9Very high92.1Very high125 Ų12582.6 Ų82.665%0.65443%0.426SS*.Hα-helixtrans-60.2-28.7-175.1-17660000113.5I117 C118L114-I117 WeakPolarHBondContact O-CB 3.39Å; L114-I117 PolarHBondContact O-N 2.95Å; L114-C118 PolarHBondContact O-N 3.12Å; L114-C118 PolarHBondContact O-SG 3.22Å; L114-C118 VanDerWaalsContact O-SG 3.39Å
115Y95.9Very high91.6Very high143 Ų14381.6 Ų81.656%0.56142%0.421SS*.Hα-helixtrans-62.4-51.5-173.2-177-99.1000114.3P113 I117 C118 R119P113-Y115 PolarHBondContact O-N 3.08Å; P113-Y115 VanDerWaalsContact O-N 3.12Å; Y115-I117 PolarHBondContact O-N 3.34Å; Y115-C118 PolarHBondContact O-N 3.05Å; Y115-R119 HydrophobicContact CD1-CG 4.25Å; Y115-R119 HydrophobicContact CE1-CG 3.83Å; Y115-R119 HydrophobicContact CE2-CG 4.42Å; Y115-R119 PolarHBondContact O-N 3.45Å; Y115-R119 PolarHBondContact OH-NE 2.97Å; Y115-R119 PolarHBondContact OH-NH2 3.48Å
116P94.5Very high90.9Very high49 Ų4982.8 Ų82.832%0.31843%0.432SS..Hα-helixtrans-50.6-41.2170-29.930.3000114.5F108 T112 P113 R119 S120F108-P116 HydrophobicContact CE1-CB 4.48Å; T112-P116 HydrophobicContact CG2-CB 4.02Å; T112-P116 HydrophobicContact CG2-CG 4.21Å; P113-P116 HydrophobicContact CG-CG 4.1Å; P113-P116 VanDerWaalsContact O-CD 3.24Å; P113-P116 WeakPolarHBondContact O-CD 3.37Å; P116-R119 PolarHBondContact O-N 3.13Å; P116-S120 PolarHBondContact O-N 3.05Å; P116-S120 PolarHBondContact O-OG 3.43Å
117I94.1Very high90.1Very high30 Ų3086.3 Ų86.315%0.15446%0.455CS..Hα-helixtrans-65.6-48.9-179.4-51.4178000109.8V103 L105 F108 T112 L114 Y115 R119 S120 W121V103-I117 HydrophobicContact CG2-CG2 4.15Å; L105-I117 HydrophobicContact CD2-CG2 3.62Å; F108-I117 HydrophobicContact CB-CD1 4.41Å; F108-I117 HydrophobicContact CB-CG1 4.38Å; F108-I117 HydrophobicContact CD1-CG1 4.13Å; F108-I117 HydrophobicContact CD2-CB 4.33Å; F108-I117 HydrophobicContact CD2-CD1 4.35Å; F108-I117 HydrophobicContact CD2-CG1 3.77Å; F108-I117 HydrophobicContact CD2-CG2 4.09Å; F108-I117 HydrophobicContact CE1-CG1 4.34Å; F108-I117 HydrophobicContact CE2-CB 4.13Å; F108-I117 HydrophobicContact CE2-CG1 4.01Å; F108-I117 HydrophobicContact CE2-CG2 3.88Å; F108-I117 HydrophobicContact CG-CD1 4.36Å; F108-I117 HydrophobicContact CG-CG1 3.83Å; F108-I117 HydrophobicContact CZ-CB 4.41Å; F108-I117 HydrophobicContact CZ-CG1 4.28Å; T112-I117 HydrophobicContact CG2-CD1 4.36Å; T112-I117 HydrophobicContact CG2-CG1 4.04Å; L114-I117 WeakPolarHBondContact O-CB 3.39Å; L114-I117 PolarHBondContact O-N 2.95Å; Y115-I117 PolarHBondContact O-N 3.34Å; I117-R119 VanDerWaalsContact C-N 3.31Å; I117-R119 PolarHBondContact O-N 3.32Å; I117-S120 PolarHBondContact O-N 3.3Å; I117-W121 PolarHBondContact O-N 2.87Å
118C93.5Very high88.9Confident48 Ų4887.3 Ų87.332%0.32446%0.457SS..Hα-helixtrans-60.4-38175.2-700000112.6L114 Y115 W121 M122L114-C118 PolarHBondContact O-N 3.12Å; L114-C118 PolarHBondContact O-SG 3.22Å; L114-C118 VanDerWaalsContact O-SG 3.39Å; Y115-C118 PolarHBondContact O-N 3.05Å; C118-W121 PolarHBondContact O-N 3.35Å; C118-M122 HydrophobicContact CB-CE 4.47Å; C118-M122 WeakPolarHBondContact O-CE 3.41Å; C118-M122 WeakPolarHBondContact O-CG 3.45Å; C118-M122 PolarHBondContact O-N 2.77Å
119R93.5Very high87.5Confident108 Ų10896.1 Ų96.141%0.40849%0.489SS..Hα-helixtrans-64.1-44.2175.8-82.4-69.2-161.8144.34.9112.1Y115 P116 I117 W121 M122 R123Y115-R119 HydrophobicContact CD1-CG 4.25Å; Y115-R119 HydrophobicContact CE1-CG 3.83Å; Y115-R119 HydrophobicContact CE2-CG 4.42Å; Y115-R119 PolarHBondContact O-N 3.45Å; Y115-R119 PolarHBondContact OH-NE 2.97Å; Y115-R119 PolarHBondContact OH-NH2 3.48Å; P116-R119 PolarHBondContact O-N 3.13Å; I117-R119 VanDerWaalsContact C-N 3.31Å; I117-R119 PolarHBondContact O-N 3.32Å; R119-W121 VanDerWaalsContact C-N 3.33Å; R119-M122 HydrophobicContact CG-CE 4.38Å; R119-M122 PolarHBondContact O-N 3.25Å; R119-R123 WeakPolarHBondContact O-CG 3.49Å; R119-R123 PolarHBondContact O-N 3.39Å
120S91.9Very high86.1Confident34 Ų3499 Ų9924%0.23850%0.5CS..Hα-helixtrans-63.9-39.9175.9-67.40000111.9P116 I117 R123 N124P116-S120 PolarHBondContact O-N 3.05Å; P116-S120 PolarHBondContact O-OG 3.43Å; I117-S120 PolarHBondContact O-N 3.3Å; S120-R123 PolarHBondContact O-N 3.29Å; S120-N124 PolarHBondContact O-N 3.4Å; S120-N124 VanDerWaalsContact O-N 3.1Å
121W92.6Very high84.4Confident65 Ų6596.6 Ų96.625%0.24649%0.487CS..Hα-helixtrans-61.9-42.6173.2178.967.2000112.9L98 F99 R101 V103 I117 C118 R119 R123 N124L98-W121 HydrophobicContact CB-CZ2 3.87Å; F99-W121 HydrophobicContact CD2-CZ2 4.45Å; R101-W121 VanDerWaalsContact CB-NE1 3.33Å; V103-W121 HydrophobicContact CB-CB 4.02Å; V103-W121 HydrophobicContact CB-CG 4.5Å; V103-W121 HydrophobicContact CG1-CB 4.4Å; V103-W121 HydrophobicContact CG2-CB 4.37Å; I117-W121 PolarHBondContact O-N 2.87Å; C118-W121 PolarHBondContact O-N 3.35Å; R119-W121 VanDerWaalsContact C-N 3.33Å; W121-R123 VanDerWaalsContact C-N 3.33Å; W121-R123 PolarHBondContact O-N 2.92Å; W121-N124 PolarHBondContact O-N 3.31Å
122M90.5Very high82.4Confident92 Ų9295.4 Ų95.445%0.45349%0.488SS..Hα-helixtrans-65.1-34177-77.8-174.4-78.800113.2R101 C118 R119R101-M122 PolarHBondContact NH1-O 2.99Å; C118-M122 HydrophobicContact CB-CE 4.47Å; C118-M122 WeakPolarHBondContact O-CE 3.41Å; C118-M122 WeakPolarHBondContact O-CG 3.45Å; C118-M122 PolarHBondContact O-N 2.77Å; R119-M122 HydrophobicContact CG-CE 4.38Å; R119-M122 PolarHBondContact O-N 3.25Å
123R88.9Confident80.4Confident181 Ų18198.5 Ų98.568%0.68352%0.517SS*.Hα-helixtrans-71.1-34.8175.9-72.1-175.1-169.7113.9-5.4112.7R119 S120 W121 N125R119-R123 WeakPolarHBondContact O-CG 3.49Å; R119-R123 PolarHBondContact O-N 3.39Å; S120-R123 PolarHBondContact O-N 3.29Å; W121-R123 VanDerWaalsContact C-N 3.33Å; W121-R123 PolarHBondContact O-N 2.92Å; R123-N125 PolarHBondContact O-N 3.43Å
124N85.9Confident78Confident72 Ų7299.4 Ų99.439%0.38553%0.525SS..  trans-76.267.1175.9-168.5-4.8000111R101 S102 S120 W121 P126R101-N124 VanDerWaalsContact CB-O 3.32Å; R101-N124 WeakPolarHBondContact CB-O 3.42Å; R101-N124 VanDerWaalsContact CD-O 3.32Å; R101-N124 WeakPolarHBondContact CD-O 3.45Å; R101-N124 WeakPolarHBondContact CG-O 3.29Å; S102-N124 PolarHBondContact O-ND2 3.08Å; S102-N124 PolarHBondContact OG-ND2 2.98Å; S102-N124 VanDerWaalsContact OG-ND2 3.15Å; S120-N124 PolarHBondContact O-N 3.4Å; S120-N124 VanDerWaalsContact O-N 3.1Å; W121-N124 PolarHBondContact O-N 3.31Å; N124-P126 WeakPolarHBondContact O-CD 3.44Å
125N82Confident75.7Confident34 Ų3499.4 Ų99.418%0.18253%0.533CS..  trans-112.498-177.5-174.75.6000109.9R101 R123 S127 F128R101-N125 PolarHBondContact NE-OD1 3.33Å; R101-N125 PolarHBondContact NH2-ND2 3.44Å; R101-N125 PolarHBondContact NH2-OD1 3.34Å; R123-N125 PolarHBondContact O-N 3.43Å; N125-S127 PolarHBondContact O-N 2.99Å; N125-S127 PolarHBondContact OD1-N 3.48Å; N125-F128 HydrophobicContact CB-CB 3.93Å; N125-F128 WeakPolarHBondContact ND2-CB 3.23Å; N125-F128 CarbonylContact O-C 3.52Å; N125-F128 PolarHBondContact O-N 3.5Å; N125-F128 VanDerWaalsContact O-O 3.09Å
126P75.9Confident73.2Confident81 Ų8198.1 Ų98.153%0.52655%0.545SS..THydrogen-bonded Turntrans-65.2-23.7-177.526.3-33.4000113.1D100 N124 F128D100-P126 WeakPolarHBondContact O-CG 3.47Å; N124-P126 WeakPolarHBondContact O-CD 3.44Å; P126-F128 VanDerWaalsContact C-N 3.33Å
127S72.8Confident70.5Confident111 Ų111101.1 Ų101.178%0.77657%0.567SS**THydrogen-bonded Turntrans-77.9-20175.6-53.10000113N125N125-S127 PolarHBondContact O-N 2.99Å; N125-S127 PolarHBondContact OD1-N 3.48Å
128F66.1Low68.3Low136 Ų136104.8 Ų104.860%0.59659%0.592SS**  trans-100.889.2175.3-169.9-93.8000107.8N125 P126 E130N125-F128 HydrophobicContact CB-CB 3.93Å; N125-F128 WeakPolarHBondContact ND2-CB 3.23Å; N125-F128 CarbonylContact O-C 3.52Å; N125-F128 PolarHBondContact O-N 3.5Å; N125-F128 VanDerWaalsContact O-O 3.09Å; P126-F128 VanDerWaalsContact C-N 3.33Å; F128-E130 PolarHBondContact O-N 2.94Å; F128-E130 VanDerWaalsContact O-N 3.07Å
129R61.9Low65.8Low227 Ų227110.4 Ų110.486%0.85761%0.614SS**  trans-67.5107.4160.4-66.5-149.7-173.9-149.65.5106.4
130E60.6Low63.2Low160 Ų160110.7 Ų110.775%0.74863%0.633SS**PPolyproline II helixtrans-48.3125.9163.2-168.9168.5-164.100106.6F128 A132F128-E130 PolarHBondContact O-N 2.94Å; F128-E130 VanDerWaalsContact O-N 3.07Å; E130-A132 PolarHBondContact O-N 3.35Å
131P53.8Low61.1Low101 Ų101115.5 Ų115.566%0.65665%0.654SS**PPolyproline II helixtrans-52.9116.4171.5-2232000106.1A133P131-A133 PolarHBondContact O-N 3.45Å
132A51.7Low58.8Low88 Ų88117.1 Ų117.173%0.72767%0.673SS**PPolyproline II helixtrans-46122.6170.300000105.8E130 S134E130-A132 PolarHBondContact O-N 3.35Å; A132-S134 PolarHBondContact O-N 3.47Å
133A52.8Low57.1Low97 Ų97121.6 Ų121.680%0.80269%0.693SS**  trans-39.8114.717900000107.6P131P131-A133 PolarHBondContact O-N 3.45Å
134S43.9Very low55.1Low105 Ų105121.5 Ų121.573%0.73470%0.7SS**  trans-48.1135.1-175.9-61.60000108.4A132 S136A132-S134 PolarHBondContact O-N 3.47Å; S134-S136 PolarHBondContact O-N 3.3Å
135P46.8Very low53.1Low126 Ų126125.4 Ų125.482%0.81872%0.716SS**  trans-54.4132.7177.223.3-31.7000108.4
136S43.1Very low51.7Low116 Ų116128.8 Ų128.881%0.81174%0.738SS**  trans-34135.8-178.3-58.30000113.9S134S134-S136 PolarHBondContact O-N 3.3Å
137S39Very low50.2Low111 Ų111130.7 Ų130.778%0.77675%0.748SS**  trans-53.5145.5166.8-173.40000110.7
138P48Very low48.9Very low107 Ų107132.5 Ų132.570%0.69575%0.749SS**SBendtrans-62.7152.3-176-16.930.2000112.9
139Q39.1Very low48Very low166 Ų166131 Ų13178%0.77675%0.745SS**  trans-5.6127.7178.7-87.993.8-29.300119.2I141Q139-I141 PolarHBondContact O-N 2.85Å
140S40.6Very low47.4Very low115 Ų115128.4 Ų128.480%0.80475%0.745SS**  trans-49.5113.715351.30000111.5
141I47.4Very low46.9Very low135 Ų135128 Ų12869%0.69275%0.748SS**  trans-79.8132.8162.1-42.6170.1000106.1Q139Q139-I141 PolarHBondContact O-N 2.85Å
142P44.8Very low46.5Very low98 Ų98125.1 Ų125.164%0.63674%0.737SS**  trans-58.3139.8-176.4-21.131.7000112.2E144P142-E144 PolarHBondContact O-N 3.45Å
143E53.5Low46.4Very low186 Ų186131 Ų13187%0.86975%0.746SS**THydrogen-bonded Turntrans-65.4-1.7-172.9-65.3-175145.600115.1
144E48Very low46.6Very low180 Ų180129.4 Ų129.484%0.84174%0.738SS**THydrogen-bonded Turntrans-86.4-17.6-172.1-124.1175.6176.400114.5P142P142-E144 PolarHBondContact O-N 3.45Å
145E44.3Very low47.7Very low153 Ų153129.5 Ų129.572%0.71573%0.727SS**SBendtrans-102.80.8-175.8-116.1-176.4173.700114.5
146V50.9Low49Very low105 Ų105128.7 Ų128.764%0.63672%0.716SS**THydrogen-bonded Turntrans-90.2-11.7-171-157.40000112.9D148V146-D148 VanDerWaalsContact C-N 3.34Å
147T45.3Very low50.6Low121 Ų121126.1 Ų126.174%0.74270%0.695SS**THydrogen-bonded Turntrans-79.2-15.3177.3500000113.6
148D45.3Very low52.8Low149 Ų149130.6 Ų130.680%0.79770%0.697SS**SBendtrans-100.21.6-173.6-103.7-4.2000115.3V146V146-D148 VanDerWaalsContact C-N 3.34Å
149M48Very low54.6Low106 Ų106135.3 Ų135.352%0.52270%0.701SS.*  trans-100.214.3-173-65.3179.769.500115.3N151M149-N151 PolarHBondContact O-N 3.41Å; M149-N151 VanDerWaalsContact O-N 3.13Å
150M49.2Very low57Low171 Ų171130.9 Ų130.984%0.84268%0.682SS**  trans-72.8-1.4-177.879.381.974.200115.1
151N49.7Very low59.3Low153 Ų153127.7 Ų127.782%0.81866%0.658SS**  trans-122.269.8-172.4-166.241.8000113.7M149M149-N151 PolarHBondContact O-N 3.41Å; M149-N151 VanDerWaalsContact O-N 3.13Å
152G44.2Very low61.2Low40 Ų40126.2 Ų126.241%0.41266%0.657SS.*  trans-160.6104.9171.400000112.9G154G152-G154 PolarHBondContact O-N 2.92Å; G152-G154 VanDerWaalsContact O-N 3.1Å
153K51.4Low63.3Low211 Ų211124 Ų12492%0.91764%0.643SS**THydrogen-bonded Turntrans-55114.4171.1-64-172.1177.6-169.30109.5
154G56.1Low64.9Low63 Ų63118.4 Ų118.465%0.64963%0.625SS**THydrogen-bonded Turntrans109.716.9169.800000117.5G152G152-G154 PolarHBondContact O-N 2.92Å; G152-G154 VanDerWaalsContact O-N 3.1Å
155Q66.3Low66.6Low108 Ų108114 Ų11451%0.50562%0.619SS.*  trans-77.7132.8172.1-71.2-174.1-1300112.2V157Q155-V157 PolarHBondContact O-N 3.27Å
156N74.2Confident68.3Low109 Ų109109.1 Ų109.158%0.58360%0.601SS**  trans-63.4117.6170.7-71.7-33.6000109.7Y158N156-Y158 HydrophobicContact CB-CD2 4.44Å; N156-Y158 HydrophobicContact CB-CE1 4.21Å; N156-Y158 HydrophobicContact CB-CE2 3.71Å; N156-Y158 PolarHBondContact ND2-OH 2.82Å; N156-Y158 WeakPolarHBondContact O-CD2 3.21Å; N156-Y158 WeakPolarHBondContact O-CE2 3.35Å; N156-Y158 PolarHBondContact O-N 3.21Å
157V78.3Confident69.8Low61 Ų61106.3 Ų106.337%0.3759%0.585SS.*  trans-82.5106.7175.8-178.20000109.2Q155 R159 V231 M235Q155-V157 PolarHBondContact O-N 3.27Å; V157-R159 VanDerWaalsContact CG1-O 3.31Å; V157-R159 WeakPolarHBondContact CG1-O 3.28Å; V157-V231 HydrophobicContact CB-CG1 4.36Å; V157-V231 HydrophobicContact CG1-CG1 4.01Å; V157-V231 HydrophobicContact CG2-CG1 3.79Å; V157-M235 HydrophobicContact CB-CE 3.42Å; V157-M235 VanDerWaalsContact CB-CE 3.42Å; V157-M235 HydrophobicContact CB-SD 4.05Å; V157-M235 HydrophobicContact CG2-CE 3.59Å; V157-M235 HydrophobicContact CG2-SD 4.07Å
158Y84.1Confident71.7Confident206 Ų206104 Ų10481%0.80857%0.571SS**  trans-86.3-18.6177.3-60.7-77.2000113.3N156N156-Y158 HydrophobicContact CB-CD2 4.44Å; N156-Y158 HydrophobicContact CB-CE1 4.21Å; N156-Y158 HydrophobicContact CB-CE2 3.71Å; N156-Y158 PolarHBondContact ND2-OH 2.82Å; N156-Y158 WeakPolarHBondContact O-CD2 3.21Å; N156-Y158 WeakPolarHBondContact O-CE2 3.35Å; N156-Y158 PolarHBondContact O-N 3.21Å
159R85.8Confident73.4Confident206 Ų20698.9 Ų98.978%0.77754%0.543SS*.SBendtrans-150.3136.7179.6-167.6-178.2-177.9-155.71.4111.1V157V157-R159 VanDerWaalsContact CG1-O 3.31Å; V157-R159 WeakPolarHBondContact CG1-O 3.28Å
160L89.1Confident74.9Confident73 Ų73100.9 Ų100.938%0.38256%0.564SS.*PPolyproline II helixtrans-74.4147.7172.5-67.2174.8000111.1V231 L232L160-V231 HydrophobicContact CD2-CB 4.33Å; L160-V231 HydrophobicContact CD2-CG1 4.09Å; L160-L232 HydrophobicContact CD1-CD1 4.29Å; L160-L232 HydrophobicContact CD1-CD2 4.47Å; L160-L232 HydrophobicContact CD1-CG 4.47Å; L160-L232 HydrophobicContact CD2-CD2 4.12Å; L160-L232 HydrophobicContact CD2-CG 4.09Å
161P88.9Confident76.4Confident48 Ų4896.8 Ų96.831%0.31255%0.552SS.*PPolyproline II helixtrans-54.1142.3172.6-24.732.6000111.6E227 S228 V231P161-E227 HydrophobicContact CB-CB 4.25Å; P161-E227 HydrophobicContact CG-CB 4.29Å; P161-S228 PolarHBondContact O-OG 2.89Å; P161-V231 HydrophobicContact CG-CG2 4.34Å
162P87.3Confident77.8Confident103 Ų10392.1 Ų92.167%0.66954%0.541SS*.PPolyproline II helixtrans-63.4147.5175.427.9-33.8000110.5
163P89.7Confident79.6Confident52 Ų5296.3 Ų96.334%0.33855%0.55SS..PPolyproline II helixtrans-64.8151.3175.727.1-32.9000110.7R224 Y225P163-R224 VanDerWaalsContact CA-O 3.32Å; P163-R224 WeakPolarHBondContact CA-O 3.38Å; P163-R224 HydrophobicContact CB-CB 4.2Å; P163-Y225 HydrophobicContact CB-CD1 3.89Å; P163-Y225 HydrophobicContact CB-CE1 3.65Å; P163-Y225 HydrophobicContact CB-CE2 4.5Å; P163-Y225 HydrophobicContact CB-CG 4.43Å; P163-Y225 HydrophobicContact CG-CD1 4.49Å; P163-Y225 HydrophobicContact CG-CE1 3.86Å
164S87.6Confident81Confident69 Ų6992.5 Ų92.548%0.48354%0.538SS..PPolyproline II helixtrans-54.7150.7171.962.30000110.9R224S164-R224 PolarHBondContact N-O 3.06Å; S164-R224 VanDerWaalsContact N-O 3.11Å; S164-R224 PolarHBondContact O-NE 3.01Å; S164-R224 PolarHBondContact O-NH2 3.37Å; S164-R224 WeakPolarHBondContact OG-CA 3.45Å; S164-R224 WeakPolarHBondContact OG-CB 3.44Å; S164-R224 WeakPolarHBondContact OG-CG 3.37Å
165A83.1Confident82.2Confident87 Ų8791.4 Ų91.472%0.71952%0.517SS*.PPolyproline II helixtrans-57150.5-172.600000113.4R224A165-R224 VanDerWaalsContact C-NH2 3.33Å
166C80.8Confident82.9Confident50 Ų5090.9 Ų90.934%0.33852%0.518SS..PPolyproline II helixtrans-64.4131.7173.5-690000108.5L174 R224C166-L174 HydrophobicContact CB-CD2 3.98Å; C166-R224 VanDerWaalsContact SG-CZ 3.55Å; C166-R224 PolarHBondContact SG-NH1 3.34Å; C166-R224 PolarHBondContact SG-NH2 3.12Å
167P81.8Confident83.2Confident46 Ų4686.5 Ų86.530%0.29949%0.494SS..PPolyproline II helixtrans-64.6144.817124.2-26.1000109.4I175 L177P167-I175 HydrophobicContact CB-CD1 4.3Å; P167-I175 HydrophobicContact CG-CB 4.33Å; P167-I175 WeakPolarHBondContact O-CB 3.48Å; P167-I175 WeakPolarHBondContact O-CG1 3.3Å; P167-I175 PolarHBondContact O-N 3.18Å; P167-L177 HydrophobicContact CG-CD1 3.72Å; P167-L177 HydrophobicContact CG-CD2 3.58Å; P167-L177 HydrophobicContact CG-CG 3.71Å
168V84.4Confident83.4Confident74 Ų7492 Ų9245%0.44851%0.509SS..BIsolated β-bridgetrans-113.7139.4-176-168.20000108.1G172 E173 L174V168-G172 VanDerWaalsContact CG1-O 3.23Å; V168-G172 WeakPolarHBondContact CG1-O 3.5Å; V168-E173 WeakPolarHBondContact CA-O 3.4Å; V168-E173 WeakPolarHBondContact CG1-O 3.36Å; V168-L174 HydrophobicContact CG2-CD2 4.13Å
169N80.9Confident83.4Confident41 Ų4186.4 Ų86.422%0.21949%0.492CS..  trans-65.8162.9171.7-74.2-36.3000110.5S171 G172 E173 I175N169-S171 PolarHBondContact O-N 3Å; N169-G172 PolarHBondContact O-N 3.04Å; N169-E173 PolarHBondContact N-O 2.95Å; N169-I175 HydrophobicContact CB-CG1 4.35Å; N169-I175 VanDerWaalsContact CG-CG1 3.45Å; N169-I175 WeakPolarHBondContact OD1-CD1 3.47Å; N169-I175 WeakPolarHBondContact OD1-CG1 3.24Å
170P79.9Confident83.2Confident147 Ų14777.1 Ų77.196%0.95546%0.458SS*.THydrogen-bonded Turntrans-55.7-23.4171.9-22.632.3000113.7G172P170-G172 VanDerWaalsContact C-N 3.32Å
171S81.4Confident82.7Confident85 Ų8580.3 Ų80.359%0.59447%0.471SS*.THydrogen-bonded Turntrans-81.2-1.5175.856.90000114.7N169 E173N169-S171 PolarHBondContact O-N 3Å; S171-E173 VanDerWaalsContact C-N 3.34Å
172G79.4Confident81.7Confident56 Ų5683.8 Ų83.858%0.57749%0.491SS*.SBendtrans85.60.1-177.700000114.9V168 N169 P170V168-G172 VanDerWaalsContact CG1-O 3.23Å; V168-G172 WeakPolarHBondContact CG1-O 3.5Å; N169-G172 PolarHBondContact O-N 3.04Å; P170-G172 VanDerWaalsContact C-N 3.32Å
173E81.9Confident80.6Confident128 Ų12886 Ų8660%0.59849%0.493SS*.PPolyproline II helixtrans-82.6139.6179.3-66.4178.5178.700112.8V168 N169 S171 I175V168-E173 WeakPolarHBondContact CA-O 3.4Å; V168-E173 WeakPolarHBondContact CG1-O 3.36Å; N169-E173 PolarHBondContact N-O 2.95Å; S171-E173 VanDerWaalsContact C-N 3.34Å; E173-I175 PolarHBondContact O-N 3.4Å
174L80.1Confident79.1Confident131 Ų13192.6 Ų92.669%0.68652%0.516SS*.BIsolated β-bridgetrans-66.7126.5177.1-64.8-178.9000111.4C166 V168C166-L174 HydrophobicContact CB-CD2 3.98Å; V168-L174 HydrophobicContact CG2-CD2 4.13Å
175I81.9Confident77.7Confident39 Ų3993.8 Ų93.820%0.252%0.522CS..PPolyproline II helixtrans-84.8120.9178-53.7177.1000109.7P167 N169 E173 L177P167-I175 HydrophobicContact CB-CD1 4.3Å; P167-I175 HydrophobicContact CG-CB 4.33Å; P167-I175 WeakPolarHBondContact O-CB 3.48Å; P167-I175 WeakPolarHBondContact O-CG1 3.3Å; P167-I175 PolarHBondContact O-N 3.18Å; N169-I175 HydrophobicContact CB-CG1 4.35Å; N169-I175 VanDerWaalsContact CG-CG1 3.45Å; N169-I175 WeakPolarHBondContact OD1-CD1 3.47Å; N169-I175 WeakPolarHBondContact OD1-CG1 3.24Å; E173-I175 PolarHBondContact O-N 3.4Å; I175-L177 HydrophobicContact CG2-CD2 4.39Å; I175-L177 PolarHBondContact O-N 3.48Å; I175-L177 VanDerWaalsContact O-N 3.08Å
176N80.8Confident76.2Confident98 Ų9896.1 Ų96.152%0.52453%0.528SS..  trans-74.799.3169.1-169.6-22.6000110.4R178 I179N176-R178 PolarHBondContact O-N 3.22Å; N176-R178 WeakPolarHBondContact OD1-CB 3.25Å; N176-R178 PolarHBondContact OD1-N 2.97Å; N176-I179 PolarHBondContact O-N 3.03Å
177L81.2Confident74.7Confident17 Ų17100.9 Ų100.99%0.08955%0.548CS..THydrogen-bonded Turntrans-67.5-15.4179.2-69.9178.2000114.6P167 I175 I179 C217 K220 N221 R224P167-L177 HydrophobicContact CG-CD1 3.72Å; P167-L177 HydrophobicContact CG-CD2 3.58Å; P167-L177 HydrophobicContact CG-CG 3.71Å; I175-L177 HydrophobicContact CG2-CD2 4.39Å; I175-L177 PolarHBondContact O-N 3.48Å; I175-L177 VanDerWaalsContact O-N 3.08Å; L177-I179 VanDerWaalsContact C-N 3.32Å; L177-C217 CarbonylContact O-C 3.37Å; L177-C217 WeakPolarHBondContact O-CB 3.41Å; L177-C217 VanDerWaalsContact O-O 3.06Å; L177-K220 HydrophobicContact CD2-CD 4.06Å; L177-K220 HydrophobicContact CD2-CG 4.4Å; L177-N221 HydrophobicContact CB-CB 4.01Å; L177-R224 HydrophobicContact CD1-CG 4.34Å
178R80.9Confident73.3Confident177 Ų177102.3 Ų102.367%0.66856%0.559SS**THydrogen-bonded Turntrans-75-26.9-177.8-161.1-178.3-155.3161.56.5112.3N176N176-R178 PolarHBondContact O-N 3.22Å; N176-R178 WeakPolarHBondContact OD1-CB 3.25Å; N176-R178 PolarHBondContact OD1-N 2.97Å
179I84.6Confident71.8Confident88 Ų88107.4 Ų107.445%0.45158%0.576SS.*SBendtrans-112120.1-174.8-56.7175.4000107.3N176 L177 Q181 W214N176-I179 PolarHBondContact O-N 3.03Å; L177-I179 VanDerWaalsContact C-N 3.32Å; I179-Q181 PolarHBondContact O-N 3.48Å; I179-W214 HydrophobicContact CG2-CH2 4.14Å
180P82.4Confident70.6Confident10 Ų10112.4 Ų112.47%0.06560%0.595CS.*  trans-60.3137173.322.9-29.3000110T182 K213 W214 C217P180-T182 PolarHBondContact O-N 3.19Å; P180-T182 VanDerWaalsContact O-N 3.08Å; P180-K213 HydrophobicContact CB-CB 4.16Å; P180-W214 HydrophobicContact CG-CB 4.48Å; P180-W214 HydrophobicContact CG-CD2 3.62Å; P180-W214 HydrophobicContact CG-CE3 4.27Å; P180-W214 HydrophobicContact CG-CG 3.71Å; P180-W214 HydrophobicContact CG-CZ2 4.2Å; P180-C217 WeakPolarHBondContact CA-SG 3.49Å; P180-C217 HydrophobicContact CB-CB 4.42Å
181Q77.1Confident69.5Low141 Ų141112.1 Ų112.166%0.65959%0.591SS**  trans-59.4117172.2-74.1-178.3-26.600108.5I179 E183I179-Q181 PolarHBondContact O-N 3.48Å; Q181-E183 PolarHBondContact O-N 3.38Å
182T68.2Low68.6Low121 Ų121115.9 Ų115.974%0.74260%0.6SS**  trans-79.5108.5179.5550000108.5P180 K184P180-T182 PolarHBondContact O-N 3.19Å; P180-T182 VanDerWaalsContact O-N 3.08Å; T182-K184 PolarHBondContact O-N 2.95Å
183E63.9Low67.8Low150 Ų150120 Ų12070%0.70161%0.613SS**PPolyproline II helixtrans-61.8128.1161-71158.5-132.100107.7Q181 K213Q181-E183 PolarHBondContact O-N 3.38Å; E183-K213 IonicContact OE1-NZ 3.99Å; E183-K213 PolarHBondContact OE1-NZ 3.22Å; E183-K213 IonicContact OE2-NZ 2.65Å
184K59Low66.9Low189 Ų189116 Ų11682%0.82260%0.598SS**PPolyproline II helixtrans-59.9132.8174.8-67.7-178.3-178.7178.80107.6T182 T186T182-K184 PolarHBondContact O-N 2.95Å; K184-T186 PolarHBondContact O-N 3.09Å; K184-T186 VanDerWaalsContact O-N 3.09Å
185P58.3Low66.5Low95 Ų95115.4 Ų115.462%0.61760%0.6SS**PPolyproline II helixtrans-60.7120.3178.524-31000108.8I187P185-I187 PolarHBondContact O-N 3.36Å
186T51.2Low66.2Low135 Ų135117.5 Ų117.583%0.82862%0.618SS**  trans-62.1103.1166.4-53.60000106.5K184 S188K184-T186 PolarHBondContact O-N 3.09Å; K184-T186 VanDerWaalsContact O-N 3.09Å; T186-S188 PolarHBondContact O-N 3.35Å
187I49.3Very low66.3Low150 Ų150115.3 Ų115.377%0.76962%0.618SS**  trans-69.785171.5-59.1169.8000105.6P185 K189P185-I187 PolarHBondContact O-N 3.36Å; I187-K189 PolarHBondContact O-N 3.03Å
188S53.5Low66.4Low76 Ų76117.1 Ų117.153%0.53164%0.636SS.*  trans-66.2115.6165.1-166.80000106T186 F190T186-S188 PolarHBondContact O-N 3.35Å; S188-F190 VanDerWaalsContact C-N 3.32Å; S188-F190 WeakPolarHBondContact O-CD2 3.43Å; S188-F190 PolarHBondContact O-N 3Å
189K51.6Low66.6Low182 Ų182111.3 Ų111.379%0.79162%0.618SS**  trans-62.398.5172.2-68.5178.2179.2178.30106.5I187 T191I187-K189 PolarHBondContact O-N 3.03Å; K189-T191 PolarHBondContact O-N 3.49Å
190F55.7Low66.8Low145 Ų145111.8 Ų111.864%0.63662%0.62SS**  trans-68.7104.6172.3-77.5-83.6000107.5S188 E192 P194S188-F190 VanDerWaalsContact C-N 3.32Å; S188-F190 WeakPolarHBondContact O-CD2 3.43Å; S188-F190 PolarHBondContact O-N 3Å; F190-E192 VanDerWaalsContact C-N 3.25Å; F190-P194 HydrophobicContact CB-CG 4.47Å; F190-P194 HydrophobicContact CD1-CG 3.73Å; F190-P194 HydrophobicContact CE1-CG 4.21Å; F190-P194 HydrophobicContact CG-CG 4.2Å
191T58.2Low67.1Low141 Ų141114.8 Ų114.887%0.86564%0.641SS**SBendtrans-75.8-15.2177.9-460000112K189K189-T191 PolarHBondContact O-N 3.49Å
192E62.5Low67.7Low165 Ų165112 Ų11277%0.77163%0.631SS**SBendtrans-124.5139.5175.5-75.4-178.1155.800110.6F190 P194F190-E192 VanDerWaalsContact C-N 3.25Å; E192-P194 WeakPolarHBondContact O-CD 3.22Å; E192-P194 WeakPolarHBondContact O-CG 3.47Å; E192-P194 VanDerWaalsContact O-N 3.13Å
193V61.6Low68.7Low143 Ų143110.4 Ų110.487%0.86762%0.615SS**  trans-65.5106.6176178.50000108.1
194P63.4Low70.1Confident42 Ų42107.2 Ų107.227%0.27360%0.601SS.*  trans-73.4141.1-174.5-12.630.5000109F190 E192 S196 L199F190-P194 HydrophobicContact CB-CG 4.47Å; F190-P194 HydrophobicContact CD1-CG 3.73Å; F190-P194 HydrophobicContact CE1-CG 4.21Å; F190-P194 HydrophobicContact CG-CG 4.2Å; E192-P194 WeakPolarHBondContact O-CD 3.22Å; E192-P194 WeakPolarHBondContact O-CG 3.47Å; E192-P194 VanDerWaalsContact O-N 3.13Å; P194-S196 PolarHBondContact O-N 3.11Å; P194-L199 HydrophobicContact CB-CD1 4.12Å; P194-L199 HydrophobicContact CB-CD2 3.86Å; P194-L199 HydrophobicContact CB-CG 3.81Å; P194-L199 HydrophobicContact CG-CD1 4.31Å; P194-L199 HydrophobicContact CG-CD2 3.87Å; P194-L199 HydrophobicContact CG-CG 4.24Å
195V72.4Confident71.7Confident120 Ų120102.9 Ų102.973%0.72758%0.584SS**  trans-54.4125.8177.5176.90000109.2G197 A198 L199V195-G197 PolarHBondContact O-N 3.36Å; V195-A198 WeakPolarHBondContact O-CB 3.34Å; V195-A198 PolarHBondContact O-N 2.91Å; V195-L199 PolarHBondContact O-N 3.17Å
196S75.6Confident73.3Confident82 Ų82103.7 Ų103.757%0.57358%0.575SS**Hα-helixtrans-47.3-41.2-171.3-176.90000113.7P194 A198 L199 I200P194-S196 PolarHBondContact O-N 3.11Å; S196-A198 PolarHBondContact O-N 3.49Å; S196-L199 PolarHBondContact O-N 2.93Å; S196-I200 WeakPolarHBondContact O-CD1 3.45Å; S196-I200 PolarHBondContact O-N 2.81Å; S196-I200 VanDerWaalsContact O-N 3.11Å
197G82.7Confident75.3Confident52 Ų52103.6 Ų103.654%0.53656%0.559SS.*Hα-helixtrans-58.8-40.1177.500000114.4V195 I200 S201V195-G197 PolarHBondContact O-N 3.36Å; G197-I200 PolarHBondContact O-N 3.38Å; G197-S201 PolarHBondContact O-N 2.97Å; G197-S201 VanDerWaalsContact O-N 3.16Å; G197-S201 PolarHBondContact O-OG 3.26Å
198A83.1Confident77.5Confident56 Ų56102.9 Ų102.946%0.46355%0.55SS.*Hα-helixtrans-70.1-37.3179.600000112V195 S196 S201 D202V195-A198 WeakPolarHBondContact O-CB 3.34Å; V195-A198 PolarHBondContact O-N 2.91Å; S196-A198 PolarHBondContact O-N 3.49Å; A198-S201 WeakPolarHBondContact CA-OG 3.42Å; A198-S201 PolarHBondContact O-N 2.91Å; A198-S201 PolarHBondContact O-OG 2.95Å; A198-D202 PolarHBondContact O-N 2.65Å
199L85.4Confident79.4Confident55 Ų55104.9 Ų104.929%0.28855%0.549SS..Hα-helixtrans-62.7-44.4174.4-72.7172.2000112.1P194 V195 S196 S201 D202 H203P194-L199 HydrophobicContact CB-CD1 4.12Å; P194-L199 HydrophobicContact CB-CD2 3.86Å; P194-L199 HydrophobicContact CB-CG 3.81Å; P194-L199 HydrophobicContact CG-CD1 4.31Å; P194-L199 HydrophobicContact CG-CD2 3.87Å; P194-L199 HydrophobicContact CG-CG 4.24Å; V195-L199 PolarHBondContact O-N 3.17Å; S196-L199 PolarHBondContact O-N 2.93Å; L199-S201 VanDerWaalsContact C-N 3.34Å; L199-S201 PolarHBondContact O-N 3.4Å; L199-D202 PolarHBondContact O-N 2.81Å; L199-H203 WeakPolarHBondContact O-CB 3.47Å; L199-H203 VanDerWaalsContact O-CG 3.31Å; L199-H203 PolarHBondContact O-N 2.89Å
200I88.8Confident81.3Confident97 Ų9798.4 Ų98.450%0.49752%0.523SS..Hα-helixtrans-62.5-42.1177.4-81.7114.7000110.9S196 G197 M204S196-I200 WeakPolarHBondContact O-CD1 3.45Å; S196-I200 PolarHBondContact O-N 2.81Å; S196-I200 VanDerWaalsContact O-N 3.11Å; G197-I200 PolarHBondContact O-N 3.38Å; I200-M204 HydrophobicContact CG2-CG 4.41Å; I200-M204 VanDerWaalsContact O-CB 3.32Å; I200-M204 WeakPolarHBondContact O-CB 3.47Å; I200-M204 WeakPolarHBondContact O-CG 3.36Å; I200-M204 PolarHBondContact O-N 3.2Å
201S88.3Confident83.1Confident73 Ų7398.1 Ų98.151%0.5152%0.518SS..Hα-helixtrans-63.7-43.8176.650.30000112.9G197 A198 L199 M204 E205G197-S201 PolarHBondContact O-N 2.97Å; G197-S201 VanDerWaalsContact O-N 3.16Å; G197-S201 PolarHBondContact O-OG 3.26Å; A198-S201 WeakPolarHBondContact CA-OG 3.42Å; A198-S201 PolarHBondContact O-N 2.91Å; A198-S201 PolarHBondContact O-OG 2.95Å; L199-S201 VanDerWaalsContact C-N 3.34Å; L199-S201 PolarHBondContact O-N 3.4Å; S201-M204 WeakPolarHBondContact O-CB 3.47Å; S201-M204 PolarHBondContact O-N 2.95Å; S201-E205 PolarHBondContact O-N 3.3Å
202D88.8Confident84.8Confident83 Ų8395.8 Ų95.844%0.44450%0.497SS..Hα-helixtrans-63.3-47.9177.9177.164.7000111.3A198 L199 M204 E205 R206A198-D202 PolarHBondContact O-N 2.65Å; L199-D202 PolarHBondContact O-N 2.81Å; D202-M204 PolarHBondContact O-N 3.45Å; D202-E205 PolarHBondContact O-N 3.12Å; D202-R206 WeakPolarHBondContact O-CB 3.41Å; D202-R206 PolarHBondContact O-N 2.93Å
203H89.9Confident86.2Confident87 Ų8792 Ų9240%0.40348%0.478SS..Hα-helixtrans-57.6-40.5174.4-75.5174.9000111.7L199 R206 W207L199-H203 WeakPolarHBondContact O-CB 3.47Å; L199-H203 VanDerWaalsContact O-CG 3.31Å; L199-H203 PolarHBondContact O-N 2.89Å; H203-R206 PolarHBondContact O-N 2.87Å; H203-W207 WeakPolarHBondContact O-CB 3.41Å; H203-W207 PolarHBondContact O-N 3.48Å
204M93.9Very high87.7Confident84 Ų8491 Ų9141%0.41446%0.459SS..Hα-helixtrans-65.1-43.3178.3-78.2-88.156.900112.6I200 S201 D202 W207 K208I200-M204 HydrophobicContact CG2-CG 4.41Å; I200-M204 VanDerWaalsContact O-CB 3.32Å; I200-M204 WeakPolarHBondContact O-CB 3.47Å; I200-M204 WeakPolarHBondContact O-CG 3.36Å; I200-M204 PolarHBondContact O-N 3.2Å; S201-M204 WeakPolarHBondContact O-CB 3.47Å; S201-M204 PolarHBondContact O-N 2.95Å; D202-M204 PolarHBondContact O-N 3.45Å; M204-W207 HydrophobicContact CE-CB 4.42Å; M204-W207 PolarHBondContact O-N 3.07Å; M204-K208 VanDerWaalsContact O-CG 3.32Å; M204-K208 WeakPolarHBondContact O-CG 3.44Å; M204-K208 PolarHBondContact O-N 3.46Å
205E92.5Very high89.1Confident98 Ų9895.9 Ų95.946%0.45848%0.476SS..Hα-helixtrans-63.2-45.9175.2-167.7-174.8151.900111.1S201 D202 W207 K208 K209S201-E205 PolarHBondContact O-N 3.3Å; D202-E205 PolarHBondContact O-N 3.12Å; E205-W207 PolarHBondContact O-N 3.42Å; E205-K208 WeakPolarHBondContact O-CB 3.34Å; E205-K208 PolarHBondContact O-N 3.44Å; E205-K209 WeakPolarHBondContact O-CG 3.47Å; E205-K209 PolarHBondContact O-N 3.48Å; E205-K209 WeakPolarHBondContact OE1-CE 3.47Å; E205-K209 IonicContact OE1-NZ 2.77Å; E205-K209 PolarHBondContact OE1-NZ 3.19Å
206R91.3Very high90.1Very high112 Ų11295.2 Ų95.242%0.42347%0.465SS..Hα-helixtrans-58.9-46.3176.6-179.3173.5157.4-121.1-5.4111.8D202 H203 K208 K209 I210D202-R206 WeakPolarHBondContact O-CB 3.41Å; D202-R206 PolarHBondContact O-N 2.93Å; H203-R206 PolarHBondContact O-N 2.87Å; R206-K208 VanDerWaalsContact C-N 3.34Å; R206-K208 PolarHBondContact O-N 2.67Å; R206-K209 WeakPolarHBondContact O-CB 3.32Å; R206-K209 PolarHBondContact O-N 2.83Å; R206-I210 HydrophobicContact CG-CD1 4Å; R206-I210 WeakPolarHBondContact O-CG1 3.32Å; R206-I210 PolarHBondContact O-N 3.19Å
207W92.9Very high90.8Very high133 Ų13392.8 Ų92.850%0.50445%0.448SS..Hα-helixtrans-66-34.2177.1-81.9115.4000113.1H203 M204 E205 I210 R211H203-W207 WeakPolarHBondContact O-CB 3.41Å; H203-W207 PolarHBondContact O-N 3.48Å; M204-W207 HydrophobicContact CE-CB 4.42Å; M204-W207 PolarHBondContact O-N 3.07Å; E205-W207 PolarHBondContact O-N 3.42Å; W207-I210 HydrophobicContact CD2-CD1 4.37Å; W207-I210 HydrophobicContact CE3-CB 4.3Å; W207-I210 HydrophobicContact CE3-CD1 3.99Å; W207-I210 HydrophobicContact CE3-CG2 4.23Å; W207-I210 HydrophobicContact CZ3-CD1 4.24Å; W207-I210 HydrophobicContact CZ3-CG2 4.24Å; W207-I210 PolarHBondContact O-N 2.86Å; W207-R211 WeakPolarHBondContact O-CG 3.38Å; W207-R211 PolarHBondContact O-N 3.18Å
208K95Very high91.2Very high134 Ų13493.3 Ų93.358%0.58344%0.443SS*.Hα-helixtrans-60.8-47.9170.6-74.3172.6-177.7176.80110.7M204 E205 R206 I210 R211 Q212M204-K208 VanDerWaalsContact O-CG 3.32Å; M204-K208 WeakPolarHBondContact O-CG 3.44Å; M204-K208 PolarHBondContact O-N 3.46Å; E205-K208 WeakPolarHBondContact O-CB 3.34Å; E205-K208 PolarHBondContact O-N 3.44Å; R206-K208 VanDerWaalsContact C-N 3.34Å; R206-K208 PolarHBondContact O-N 2.67Å; K208-I210 PolarHBondContact O-N 3Å; K208-R211 PolarHBondContact O-N 3.18Å; K208-Q212 WeakPolarHBondContact O-CB 3.33Å; K208-Q212 PolarHBondContact O-N 3.4Å
209K93.3Very high91.6Very high118 Ų11894.2 Ų94.251%0.51344%0.44SS..Hα-helixtrans-59.7-44.9176.6-70.7174.6-177.2166.60111.9E205 R206 Q212 K213E205-K209 WeakPolarHBondContact O-CG 3.47Å; E205-K209 PolarHBondContact O-N 3.48Å; E205-K209 WeakPolarHBondContact OE1-CE 3.47Å; E205-K209 IonicContact OE1-NZ 2.77Å; E205-K209 PolarHBondContact OE1-NZ 3.19Å; R206-K209 WeakPolarHBondContact O-CB 3.32Å; R206-K209 PolarHBondContact O-N 2.83Å; K209-Q212 PolarHBondContact O-N 3.36Å; K209-K213 PolarHBondContact O-N 3.47Å
210I91.5Very high91.9Very high46 Ų4697.6 Ų97.624%0.23645%0.452CS..Hα-helixtrans-59-54.4177.1-69.2165.9000110.1R206 W207 K208 Q212 K213 W214R206-I210 HydrophobicContact CG-CD1 4Å; R206-I210 WeakPolarHBondContact O-CG1 3.32Å; R206-I210 PolarHBondContact O-N 3.19Å; W207-I210 HydrophobicContact CD2-CD1 4.37Å; W207-I210 HydrophobicContact CE3-CB 4.3Å; W207-I210 HydrophobicContact CE3-CD1 3.99Å; W207-I210 HydrophobicContact CE3-CG2 4.23Å; W207-I210 HydrophobicContact CZ3-CD1 4.24Å; W207-I210 HydrophobicContact CZ3-CG2 4.24Å; W207-I210 PolarHBondContact O-N 2.86Å; K208-I210 PolarHBondContact O-N 3Å; I210-Q212 PolarHBondContact O-N 2.94Å; I210-K213 PolarHBondContact O-N 3.4Å; I210-K213 VanDerWaalsContact O-N 3.12Å; I210-W214 VanDerWaalsContact O-CD1 3.23Å; I210-W214 PolarHBondContact O-N 3Å
211R93.3Very high92Very high139 Ų13994.8 Ų94.853%0.52544%0.438SS..Hα-helixtrans-57.6-38.9179-73.8-170.2-64.6-99.61.3112.4W207 K208 W214 K215W207-R211 WeakPolarHBondContact O-CG 3.38Å; W207-R211 PolarHBondContact O-N 3.18Å; K208-R211 PolarHBondContact O-N 3.18Å; R211-W214 PolarHBondContact O-N 3.11Å; R211-K215 PolarHBondContact O-N 3.39Å
212Q93.9Very high92.2Very high92 Ų9296.6 Ų96.643%0.4344%0.439SS..Hα-helixtrans-63.4-46.7176.5-175.66124.500111.6K208 K209 I210 W214 K215 E216K208-Q212 WeakPolarHBondContact O-CB 3.33Å; K208-Q212 PolarHBondContact O-N 3.4Å; K209-Q212 PolarHBondContact O-N 3.36Å; I210-Q212 PolarHBondContact O-N 2.94Å; Q212-W214 VanDerWaalsContact C-N 3.31Å; Q212-W214 PolarHBondContact O-N 3.47Å; Q212-K215 WeakPolarHBondContact O-CB 3.14Å; Q212-K215 PolarHBondContact O-N 3.49Å; Q212-K215 VanDerWaalsContact O-N 3.11Å; Q212-E216 WeakPolarHBondContact CG-OE1 3.42Å; Q212-E216 PolarHBondContact NE2-OE1 3.42Å; Q212-E216 WeakPolarHBondContact O-CG 3.43Å; Q212-E216 PolarHBondContact O-N 2.69Å
213K92.9Very high92.4Very high85 Ų8599.6 Ų99.637%0.3745%0.448SS..Hα-helixtrans-56.4-43.6174.2-75.1-172.8174.9-173.40111.7P180 E183 K209 I210 K215 E216 C217P180-K213 HydrophobicContact CB-CB 4.16Å; E183-K213 IonicContact OE1-NZ 3.99Å; E183-K213 PolarHBondContact OE1-NZ 3.22Å; E183-K213 IonicContact OE2-NZ 2.65Å; K209-K213 PolarHBondContact O-N 3.47Å; I210-K213 PolarHBondContact O-N 3.4Å; I210-K213 VanDerWaalsContact O-N 3.12Å; K213-K215 PolarHBondContact O-N 2.91Å; K213-E216 PolarHBondContact O-N 3.49Å; K213-C217 WeakPolarHBondContact O-CB 3.32Å; K213-C217 PolarHBondContact O-N 3.09Å; K213-C217 PolarHBondContact O-SG 3.35Å
214W92.5Very high92.5Very high123 Ų12397.2 Ų97.247%0.46644%0.435SS..Hα-helixtrans-60.8-44.4175.4-82.291.5000112.5I179 P180 I210 R211 Q212 S218I179-W214 HydrophobicContact CG2-CH2 4.14Å; P180-W214 HydrophobicContact CG-CB 4.48Å; P180-W214 HydrophobicContact CG-CD2 3.62Å; P180-W214 HydrophobicContact CG-CE3 4.27Å; P180-W214 HydrophobicContact CG-CG 3.71Å; P180-W214 HydrophobicContact CG-CZ2 4.2Å; I210-W214 VanDerWaalsContact O-CD1 3.23Å; I210-W214 PolarHBondContact O-N 3Å; R211-W214 PolarHBondContact O-N 3.11Å; Q212-W214 VanDerWaalsContact C-N 3.31Å; Q212-W214 PolarHBondContact O-N 3.47Å; W214-S218 WeakPolarHBondContact O-CB 3.2Å; W214-S218 PolarHBondContact O-N 3.16Å
215K93.4Very high92.5Very high145 Ų14597.9 Ų97.963%0.6343%0.434SS*.Hα-helixtrans-62.1-43.4177.4-172.8178.6-179.5-179.40111.7R211 Q212 K213 S218 N219R211-K215 PolarHBondContact O-N 3.39Å; Q212-K215 WeakPolarHBondContact O-CB 3.14Å; Q212-K215 PolarHBondContact O-N 3.49Å; Q212-K215 VanDerWaalsContact O-N 3.11Å; K213-K215 PolarHBondContact O-N 2.91Å; K215-S218 PolarHBondContact O-N 2.95Å; K215-N219 WeakPolarHBondContact O-CB 3.32Å; K215-N219 PolarHBondContact O-N 2.9Å
216E92.7Very high92.6Very high105 Ų10595.6 Ų95.649%0.49143%0.429SS..Hα-helixtrans-66.2-45.9178.9-73.6169.7-171.400112.3Q212 K213 S218 N219 K220Q212-E216 WeakPolarHBondContact CG-OE1 3.42Å; Q212-E216 PolarHBondContact NE2-OE1 3.42Å; Q212-E216 WeakPolarHBondContact O-CG 3.43Å; Q212-E216 PolarHBondContact O-N 2.69Å; K213-E216 PolarHBondContact O-N 3.49Å; E216-S218 PolarHBondContact O-N 3.27Å; E216-N219 PolarHBondContact O-N 3.21Å; E216-K220 WeakPolarHBondContact O-CB 3.37Å; E216-K220 PolarHBondContact O-N 3.28Å
217C90.4Very high92.6Very high32 Ų3294.6 Ų94.622%0.21643%0.429CS..Hα-helixtrans-59.3-46.2174.9-78.30000111.7L177 P180 K213 N219 K220 N221L177-C217 CarbonylContact O-C 3.37Å; L177-C217 WeakPolarHBondContact O-CB 3.41Å; L177-C217 VanDerWaalsContact O-O 3.06Å; P180-C217 WeakPolarHBondContact CA-SG 3.49Å; P180-C217 HydrophobicContact CB-CB 4.42Å; K213-C217 WeakPolarHBondContact O-CB 3.32Å; K213-C217 PolarHBondContact O-N 3.09Å; K213-C217 PolarHBondContact O-SG 3.35Å; C217-N219 VanDerWaalsContact C-N 3.33Å; C217-N219 PolarHBondContact O-N 3.01Å; C217-K220 PolarHBondContact O-N 2.76Å; C217-N221 PolarHBondContact O-N 3.36Å
218S90.9Very high92.5Very high62 Ų6288.7 Ų88.743%0.43441%0.408SS..Hα-helixtrans-59.2-43.7174.7-1730000112.1W214 K215 E216 N221 Q222W214-S218 WeakPolarHBondContact O-CB 3.2Å; W214-S218 PolarHBondContact O-N 3.16Å; K215-S218 PolarHBondContact O-N 2.95Å; E216-S218 PolarHBondContact O-N 3.27Å; S218-N221 PolarHBondContact O-N 2.95Å; S218-Q222 PolarHBondContact O-N 3.35Å
219N92.3Very high92.4Very high76 Ų7684.9 Ų84.941%0.40639%0.393SS..Hα-helixtrans-64.2-44.9177.6-172.1-45000111.2K215 E216 C217 N221 Q222 K223K215-N219 WeakPolarHBondContact O-CB 3.32Å; K215-N219 PolarHBondContact O-N 2.9Å; E216-N219 PolarHBondContact O-N 3.21Å; C217-N219 VanDerWaalsContact C-N 3.33Å; C217-N219 PolarHBondContact O-N 3.01Å; N219-N221 VanDerWaalsContact C-N 3.28Å; N219-N221 PolarHBondContact O-N 3.07Å; N219-Q222 WeakPolarHBondContact O-CB 3.38Å; N219-Q222 PolarHBondContact O-N 3.01Å; N219-K223 WeakPolarHBondContact O-CG 3.45Å; N219-K223 PolarHBondContact O-N 3.31Å; N219-K223 WeakPolarHBondContact OD1-CE 3.43Å
220K91.1Very high92.4Very high126 Ų12685 Ų8555%0.54839%0.393SS..Hα-helixtrans-58.8-40.4176-171.7173.3-179.6177.80111.7L177 E216 C217L177-K220 HydrophobicContact CD2-CD 4.06Å; L177-K220 HydrophobicContact CD2-CG 4.4Å; E216-K220 WeakPolarHBondContact O-CB 3.37Å; E216-K220 PolarHBondContact O-N 3.28Å; C217-K220 PolarHBondContact O-N 2.76Å
221N91.9Very high92.4Very high38 Ų3884.3 Ų84.320%0.20339%0.392CS..Hα-helixtrans-64.9-42.9173.2-175.370.8000112L177 C217 S218 N219 K223 R224L177-N221 HydrophobicContact CB-CB 4.01Å; C217-N221 PolarHBondContact O-N 3.36Å; S218-N221 PolarHBondContact O-N 2.95Å; N219-N221 VanDerWaalsContact C-N 3.28Å; N219-N221 PolarHBondContact O-N 3.07Å; N221-K223 VanDerWaalsContact C-N 3.33Å; N221-K223 PolarHBondContact O-N 2.92Å; N221-R224 WeakPolarHBondContact O-CB 3.01Å; N221-R224 PolarHBondContact O-N 3.17Å
222Q91.6Very high92.3Very high111 Ų11182.1 Ų82.152%0.51939%0.39SS..Hα-helixtrans-63.6-37.2178.4-173.1176.6500112.5S218 N219 R224 Y225 I229S218-Q222 PolarHBondContact O-N 3.35Å; N219-Q222 WeakPolarHBondContact O-CB 3.38Å; N219-Q222 PolarHBondContact O-N 3.01Å; Q222-R224 PolarHBondContact O-N 2.99Å; Q222-R224 VanDerWaalsContact O-N 3.08Å; Q222-Y225 PolarHBondContact O-N 2.97Å; Q222-I229 HydrophobicContact CG-CD1 4.06Å
223K92.6Very high92.1Very high146 Ų14683.9 Ų83.964%0.63540%0.396SS*.Hα-helixtrans-57.3-23.5176.7-75.9-179.6177.2-177.40113.5N219 N221 Y225 S226N219-K223 WeakPolarHBondContact O-CG 3.45Å; N219-K223 PolarHBondContact O-N 3.31Å; N219-K223 WeakPolarHBondContact OD1-CE 3.43Å; N221-K223 VanDerWaalsContact C-N 3.33Å; N221-K223 PolarHBondContact O-N 2.92Å; K223-Y225 PolarHBondContact O-N 2.92Å; K223-S226 WeakPolarHBondContact O-CB 3.35Å; K223-S226 PolarHBondContact O-N 3.21Å; K223-S226 VanDerWaalsContact O-N 3.12Å; K223-S226 PolarHBondContact O-OG 3.27Å
224R93.3Very high91.9Very high36 Ų3685.1 Ų85.114%0.13640%0.403CS..THydrogen-bonded Turntrans-63.5-21.8175-64.2-177.553.5-173.5-0.5113.7P163 S164 A165 C166 L177 N221 Q222P163-R224 VanDerWaalsContact CA-O 3.32Å; P163-R224 WeakPolarHBondContact CA-O 3.38Å; P163-R224 HydrophobicContact CB-CB 4.2Å; S164-R224 PolarHBondContact N-O 3.06Å; S164-R224 VanDerWaalsContact N-O 3.11Å; S164-R224 PolarHBondContact O-NE 3.01Å; S164-R224 PolarHBondContact O-NH2 3.37Å; S164-R224 WeakPolarHBondContact OG-CA 3.45Å; S164-R224 WeakPolarHBondContact OG-CB 3.44Å; S164-R224 WeakPolarHBondContact OG-CG 3.37Å; A165-R224 VanDerWaalsContact C-NH2 3.33Å; C166-R224 VanDerWaalsContact SG-CZ 3.55Å; C166-R224 PolarHBondContact SG-NH1 3.34Å; C166-R224 PolarHBondContact SG-NH2 3.12Å; L177-R224 HydrophobicContact CD1-CG 4.34Å; N221-R224 WeakPolarHBondContact O-CB 3.01Å; N221-R224 PolarHBondContact O-N 3.17Å; Q222-R224 PolarHBondContact O-N 2.99Å; Q222-R224 VanDerWaalsContact O-N 3.08Å
225Y93.6Very high91.6Very high99 Ų9982 Ų8239%0.38839%0.394SS..THydrogen-bonded Turntrans-100.120178.6-57.4-89.1000111.8P163 Q222 K223 E227 S228 I229P163-Y225 HydrophobicContact CB-CD1 3.89Å; P163-Y225 HydrophobicContact CB-CE1 3.65Å; P163-Y225 HydrophobicContact CB-CE2 4.5Å; P163-Y225 HydrophobicContact CB-CG 4.43Å; P163-Y225 HydrophobicContact CG-CD1 4.49Å; P163-Y225 HydrophobicContact CG-CE1 3.86Å; Q222-Y225 PolarHBondContact O-N 2.97Å; K223-Y225 PolarHBondContact O-N 2.92Å; Y225-E227 VanDerWaalsContact C-N 3.3Å; Y225-E227 PolarHBondContact O-N 3.13Å; Y225-S228 PolarHBondContact O-N 3.38Å; Y225-I229 WeakPolarHBondContact O-CB 3.32Å; Y225-I229 VanDerWaalsContact O-CG1 3.24Å; Y225-I229 WeakPolarHBondContact O-CG1 3.17Å; Y225-I229 PolarHBondContact O-N 3.48Å
226S93.4Very high91.4Very high50 Ų5081.2 Ų81.235%0.3539%0.391SS..Hα-helixtrans-54.7-44.6-175.959.10000112.7K223 I229 K230K223-S226 WeakPolarHBondContact O-CB 3.35Å; K223-S226 PolarHBondContact O-N 3.21Å; K223-S226 VanDerWaalsContact O-N 3.12Å; K223-S226 PolarHBondContact O-OG 3.27Å; S226-I229 PolarHBondContact O-N 3.44Å; S226-K230 WeakPolarHBondContact O-CG 3.39Å; S226-K230 PolarHBondContact O-N 3.1Å
227E91.3Very high91.1Very high91 Ų9182.4 Ų82.443%0.42540%0.396SS..Hα-helixtrans-68.1-44.4-179.3-56.6-43.8113.500111.3P161 Y225 I229 K230 V231P161-E227 HydrophobicContact CB-CB 4.25Å; P161-E227 HydrophobicContact CG-CB 4.29Å; Y225-E227 VanDerWaalsContact C-N 3.3Å; Y225-E227 PolarHBondContact O-N 3.13Å; E227-I229 VanDerWaalsContact C-N 3.27Å; E227-I229 PolarHBondContact O-N 3.5Å; E227-K230 WeakPolarHBondContact O-CB 3.49Å; E227-K230 PolarHBondContact O-N 3.22Å; E227-K230 VanDerWaalsContact O-N 3.13Å; E227-K230 WeakPolarHBondContact OE1-CE 3.39Å; E227-K230 IonicContact OE1-NZ 2.89Å; E227-K230 PolarHBondContact OE1-NZ 3.35Å; E227-K230 WeakPolarHBondContact OE2-CD 3.17Å; E227-K230 IonicContact OE2-NZ 2.85Å; E227-K230 PolarHBondContact OE2-NZ 2.96Å; E227-V231 WeakPolarHBondContact O-CG2 3.43Å; E227-V231 PolarHBondContact O-N 3.46Å
228S92.6Very high90.8Very high8 Ų885.8 Ų85.86%0.05641%0.412CS..Hα-helixtrans-59.3-40174.2-360000111.6P161 Y225 V231 L232P161-S228 PolarHBondContact O-OG 2.89Å; Y225-S228 PolarHBondContact O-N 3.38Å; S228-V231 PolarHBondContact O-N 3.24Å; S228-L232 VanDerWaalsContact O-CG 3.3Å; S228-L232 WeakPolarHBondContact O-CG 3.34Å; S228-L232 PolarHBondContact O-N 3.15Å
229I92.9Very high90.1Very high55 Ų5591.7 Ų91.728%0.28243%0.426SS..Hα-helixtrans-66.7-38.2176.8-68.6164.2000111.3Q222 Y225 S226 E227 L232 K233Q222-I229 HydrophobicContact CG-CD1 4.06Å; Y225-I229 WeakPolarHBondContact O-CB 3.32Å; Y225-I229 VanDerWaalsContact O-CG1 3.24Å; Y225-I229 WeakPolarHBondContact O-CG1 3.17Å; Y225-I229 PolarHBondContact O-N 3.48Å; S226-I229 PolarHBondContact O-N 3.44Å; E227-I229 VanDerWaalsContact C-N 3.27Å; E227-I229 PolarHBondContact O-N 3.5Å; I229-L232 PolarHBondContact O-N 3.04Å; I229-K233 HydrophobicContact CG2-CD 4.33Å; I229-K233 HydrophobicContact CG2-CG 4.49Å; I229-K233 WeakPolarHBondContact O-CG 3.12Å; I229-K233 PolarHBondContact O-N 3.45Å
230K92.4Very high89.4Confident119 Ų11993.2 Ų93.252%0.51743%0.434SS..Hα-helixtrans-61.3-48.1175.3-72.4172-171.5166.20111S226 E227 L232 K233 E234S226-K230 WeakPolarHBondContact O-CG 3.39Å; S226-K230 PolarHBondContact O-N 3.1Å; E227-K230 WeakPolarHBondContact O-CB 3.49Å; E227-K230 PolarHBondContact O-N 3.22Å; E227-K230 VanDerWaalsContact O-N 3.13Å; E227-K230 WeakPolarHBondContact OE1-CE 3.39Å; E227-K230 IonicContact OE1-NZ 2.89Å; E227-K230 PolarHBondContact OE1-NZ 3.35Å; E227-K230 WeakPolarHBondContact OE2-CD 3.17Å; E227-K230 IonicContact OE2-NZ 2.85Å; E227-K230 PolarHBondContact OE2-NZ 2.96Å; K230-L232 VanDerWaalsContact C-N 3.33Å; K230-L232 PolarHBondContact O-N 3.42Å; K230-K233 WeakPolarHBondContact O-CB 3.38Å; K230-K233 PolarHBondContact O-N 3.48Å; K230-K233 VanDerWaalsContact O-N 3.12Å; K230-E234 PolarHBondContact O-N 3.03Å
231V90.9Very high87.7Confident33 Ų3398 Ų9820%0.246%0.458CS..Hα-helixtrans-57.1-47.7177174.50000110.9V157 L160 P161 E227 S228 K233 E234 M235V157-V231 HydrophobicContact CB-CG1 4.36Å; V157-V231 HydrophobicContact CG1-CG1 4.01Å; V157-V231 HydrophobicContact CG2-CG1 3.79Å; L160-V231 HydrophobicContact CD2-CB 4.33Å; L160-V231 HydrophobicContact CD2-CG1 4.09Å; P161-V231 HydrophobicContact CG-CG2 4.34Å; E227-V231 WeakPolarHBondContact O-CG2 3.43Å; E227-V231 PolarHBondContact O-N 3.46Å; S228-V231 PolarHBondContact O-N 3.24Å; V231-K233 VanDerWaalsContact C-N 3.3Å; V231-K233 PolarHBondContact O-N 3.27Å; V231-E234 PolarHBondContact O-N 2.89Å; V231-M235 HydrophobicContact CG1-CG 4.42Å; V231-M235 HydrophobicContact CG1-SD 4.09Å; V231-M235 WeakPolarHBondContact O-CB 3.47Å; V231-M235 VanDerWaalsContact O-CG 3.28Å; V231-M235 WeakPolarHBondContact O-CG 3.47Å; V231-M235 PolarHBondContact O-N 3.5Å
232L90.9Very high87.5Confident92 Ų92101.1 Ų101.148%0.48247%0.471SS..Hα-helixtrans-62.7-34.9178.3-69.7172.9000113.1L160 S228 I229 K230 K236L160-L232 HydrophobicContact CD1-CD1 4.29Å; L160-L232 HydrophobicContact CD1-CD2 4.47Å; L160-L232 HydrophobicContact CD1-CG 4.47Å; L160-L232 HydrophobicContact CD2-CD2 4.12Å; L160-L232 HydrophobicContact CD2-CG 4.09Å; S228-L232 VanDerWaalsContact O-CG 3.3Å; S228-L232 WeakPolarHBondContact O-CG 3.34Å; S228-L232 PolarHBondContact O-N 3.15Å; I229-L232 PolarHBondContact O-N 3.04Å; K230-L232 VanDerWaalsContact C-N 3.33Å; K230-L232 PolarHBondContact O-N 3.42Å; L232-K236 WeakPolarHBondContact O-CB 3.35Å; L232-K236 PolarHBondContact O-N 3.09Å
233K90.3Very high87.3Confident130 Ų130100.5 Ų100.557%0.56547%0.468SS*.Hα-helixtrans-68.3-46.5175.8-76.9179.2175.9-169.50111.7I229 K230 V231 M235 K236 E237I229-K233 HydrophobicContact CG2-CD 4.33Å; I229-K233 HydrophobicContact CG2-CG 4.49Å; I229-K233 WeakPolarHBondContact O-CG 3.12Å; I229-K233 PolarHBondContact O-N 3.45Å; K230-K233 WeakPolarHBondContact O-CB 3.38Å; K230-K233 PolarHBondContact O-N 3.48Å; K230-K233 VanDerWaalsContact O-N 3.12Å; V231-K233 VanDerWaalsContact C-N 3.3Å; V231-K233 PolarHBondContact O-N 3.27Å; K233-M235 VanDerWaalsContact C-N 3.33Å; K233-M235 PolarHBondContact O-N 3.09Å; K233-K236 WeakPolarHBondContact O-CB 3.42Å; K233-K236 PolarHBondContact O-N 3.15Å; K233-E237 WeakPolarHBondContact O-CG 3.47Å; K233-E237 PolarHBondContact O-N 2.92Å
234E89.4Confident87Confident111 Ų11198 Ų9852%0.51946%0.459SS..Hα-helixtrans-60.6-44.8177-175.1177.2-176.800110.9K230 V231 K236 E237 L238K230-E234 PolarHBondContact O-N 3.03Å; V231-E234 PolarHBondContact O-N 2.89Å; E234-K236 VanDerWaalsContact C-N 3.34Å; E234-K236 PolarHBondContact O-N 3.13Å; E234-E237 PolarHBondContact O-N 3.49Å; E234-L238 WeakPolarHBondContact O-CG 3.46Å; E234-L238 PolarHBondContact O-N 3.42Å
235M86.1Confident86.7Confident56 Ų56101.6 Ų101.628%0.27648%0.478SS..Hα-helixtrans-58-45174-71.2-178.6118.700112V157 V231 K233 E237 L238 Y239V157-M235 HydrophobicContact CB-CE 3.42Å; V157-M235 VanDerWaalsContact CB-CE 3.42Å; V157-M235 HydrophobicContact CB-SD 4.05Å; V157-M235 HydrophobicContact CG2-CE 3.59Å; V157-M235 HydrophobicContact CG2-SD 4.07Å; V231-M235 HydrophobicContact CG1-CG 4.42Å; V231-M235 HydrophobicContact CG1-SD 4.09Å; V231-M235 WeakPolarHBondContact O-CB 3.47Å; V231-M235 VanDerWaalsContact O-CG 3.28Å; V231-M235 WeakPolarHBondContact O-CG 3.47Å; V231-M235 PolarHBondContact O-N 3.5Å; K233-M235 VanDerWaalsContact C-N 3.33Å; K233-M235 PolarHBondContact O-N 3.09Å; M235-E237 VanDerWaalsContact C-N 3.35Å; M235-E237 PolarHBondContact O-N 3.35Å; M235-L238 PolarHBondContact O-N 3.18Å; M235-Y239 VanDerWaalsContact O-CD2 3.25Å; M235-Y239 WeakPolarHBondContact O-CD2 3.4Å; M235-Y239 PolarHBondContact O-N 3.44Å
236K87.7Confident86.2Confident129 Ų129101.8 Ų101.856%0.56148%0.484SS*.Hα-helixtrans-60-45.4177.2-175-178.7177.4-690111.6L232 K233 E234 L238 Y239 D240L232-K236 WeakPolarHBondContact O-CB 3.35Å; L232-K236 PolarHBondContact O-N 3.09Å; K233-K236 WeakPolarHBondContact O-CB 3.42Å; K233-K236 PolarHBondContact O-N 3.15Å; E234-K236 VanDerWaalsContact C-N 3.34Å; E234-K236 PolarHBondContact O-N 3.13Å; K236-L238 VanDerWaalsContact C-N 3.27Å; K236-L238 PolarHBondContact O-N 3.38Å; K236-Y239 PolarHBondContact O-N 3.09Å; K236-D240 IonicContact NZ-OD2 2.67Å; K236-D240 PolarHBondContact NZ-OD2 3.29Å; K236-D240 PolarHBondContact O-N 3.23Å; K236-D240 VanDerWaalsContact O-N 3.17Å
237E88.1Confident85.8Confident130 Ų130105.3 Ų105.361%0.60749%0.493SS*.Hα-helixtrans-64.3-30.8-179.8-71.9174.3-175.500112.7K233 E234 M235 Y239 H241K233-E237 WeakPolarHBondContact O-CG 3.47Å; K233-E237 PolarHBondContact O-N 2.92Å; E234-E237 PolarHBondContact O-N 3.49Å; M235-E237 VanDerWaalsContact C-N 3.35Å; M235-E237 PolarHBondContact O-N 3.35Å; E237-Y239 VanDerWaalsContact C-N 3.33Å; E237-Y239 PolarHBondContact O-N 3.35Å; E237-H241 PolarHBondContact O-CD2 3.29Å
238L83.1Confident85.4Confident103 Ų103106.3 Ų106.354%0.53950%0.498SS..Hα-helixtrans-69.3-25.8175.1-70.3170.9000114E234 M235 K236E234-L238 WeakPolarHBondContact O-CG 3.46Å; E234-L238 PolarHBondContact O-N 3.42Å; M235-L238 PolarHBondContact O-N 3.18Å; K236-L238 VanDerWaalsContact C-N 3.27Å; K236-L238 PolarHBondContact O-N 3.38Å
239Y76.4Confident84.8Confident187 Ų187113.8 Ų113.873%0.73353%0.532SS*.Hα-helixtrans-100.5-11.5-178.4-76.4-75.6000114.1M235 K236 E237 H241M235-Y239 VanDerWaalsContact O-CD2 3.25Å; M235-Y239 WeakPolarHBondContact O-CD2 3.4Å; M235-Y239 PolarHBondContact O-N 3.44Å; K236-Y239 PolarHBondContact O-N 3.09Å; E237-Y239 VanDerWaalsContact C-N 3.33Å; E237-Y239 PolarHBondContact O-N 3.35Å; Y239-H241 PolarHBondContact O-N 3.45Å
240D76.9Confident84.1Confident107 Ų107118.8 Ų118.857%0.57255%0.552SS**  trans-85.27176.9-79.9-18.9000112.8K236K236-D240 IonicContact NZ-OD2 2.67Å; K236-D240 PolarHBondContact NZ-OD2 3.29Å; K236-D240 PolarHBondContact O-N 3.23Å; K236-D240 VanDerWaalsContact O-N 3.17Å
241H57.1Low83.4Confident228 Ų228118.7 Ų118.7100%1.05656%0.555SS**  trans-113.10173.4-73.1-49.9000111.1E237 Y239E237-H241 PolarHBondContact O-CD2 3.29Å; Y239-H241 PolarHBondContact O-N 3.45Å

Retrieved 241 of 241 residues in 114.1 ms (Link to these results)