A0A087XLT4_POEFO Loading...

Protein phosphatase 1, regulatory (inhibitor) subunit 14Bb

AlphaFold DB , UniProt , Accession A0A087XLT4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 140 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
1L46.3Very low44.6Very low231 Ų231169.5 Ų169.5100%1.20985%0.853SS**  0128.70-122.161.5000108.5R3L1-R3 PolarHBondContact O-N 3.34Å
2K47.3Very low44.8Very low196 Ų196167.2 Ų167.285%0.85285%0.854SS**  trans-41123-163.3-78.9179.3161.8177.70115.2
3R41.8Very low45Very low243 Ų243168.5 Ų168.592%0.91786%0.858SS**  trans-122.3102.5148.5-78.8-175.7176.9166.8-0.6107.7L1 K5L1-R3 PolarHBondContact O-N 3.34Å; R3-K5 PolarHBondContact O-N 3.16Å
4E40.9Very low45.2Very low169 Ų169163.5 Ų163.579%0.7986%0.855SS**  trans-61.1117.3175.2-165.5150.176.700109
5K45.2Very low44.9Very low213 Ų213158.9 Ų158.993%0.92685%0.85SS**  trans-94.9105.1166.8-80.8-174.3176.7-174.50106.8R3R3-K5 PolarHBondContact O-N 3.16Å
6S43.1Very low45Very low105 Ų105157.2 Ų157.273%0.73485%0.847SS**  trans-106.9133.1173.7-175.50000110.8
7S44.1Very low45.1Very low97 Ų97155.6 Ų155.668%0.67884%0.844SS**  trans87.8122.7155.9-128.20000119.4
8P50.6Low45Very low117 Ų117152.4 Ų152.476%0.7684%0.836SS**  -117.2126.4129.733.2-21.2000108.6
9N38.8Very low45Very low155 Ų155150.8 Ų150.883%0.82983%0.833SS**  trans-149103.8149.4-89.2-45.6000109.2A11N9-A11 PolarHBondContact O-N 3.49Å
10R46.2Very low45Very low248 Ų248152.7 Ų152.794%0.93684%0.835SS**  trans-67.7114.6162.4171177.6153-167.1-5.8107
11A46.2Very low45.2Very low91 Ų91151.4 Ų151.475%0.75283%0.832SS**  trans-126.4134.7165.800000109.1N9N9-A11 PolarHBondContact O-N 3.49Å
12T46.6Very low45.4Very low141 Ų141144.4 Ų144.487%0.86580%0.803SS**  trans-65.1159.4-1729.70000114
13M48.3Very low45.5Very low184 Ų184140.5 Ų140.591%0.90680%0.798SS**  trans-66159.9-179.7-66.2-167.8179.300114.5
14A46.8Very low46.3Very low99 Ų99136.3 Ų136.382%0.81879%0.788SS**  trans74.1108.4145.200000118.8
15A41.2Very low47Very low94 Ų94134.1 Ų134.178%0.77779%0.789SS**  171.896.1101.100000108.9T17A15-T17 PolarHBondContact O-N 2.98Å
16V45.9Very low48Very low132 Ų132133 Ų13380%0.878%0.778SS**  trans-81109.2163.957.30000107.4
17T46.7Very low48.9Very low130 Ų130133.7 Ų133.780%0.79878%0.778SS**  trans-136.877156.957.20000107.6A15A15-T17 PolarHBondContact O-N 2.98Å
18S44.3Very low49.5Very low99 Ų99137.3 Ų137.369%0.69278%0.778SS**  trans-75.2126.7155.1-62.90000106.9E20S18-E20 VanDerWaalsContact C-N 3.26Å; S18-E20 PolarHBondContact O-N 3.5Å
19P45.2Very low49.5Very low121 Ų121141 Ų14179%0.78678%0.783SS**  trans-75.690.7157.330-28.2000107.1T21P19-T21 PolarHBondContact O-N 3.27Å
20E44.9Very low50.1Low188 Ų188142 Ų14288%0.87978%0.783SS**  trans-67.785.3161.6-178.415672.500107.6S18 S22S18-E20 VanDerWaalsContact C-N 3.26Å; S18-E20 PolarHBondContact O-N 3.5Å; E20-S22 VanDerWaalsContact C-N 3.34Å; E20-S22 PolarHBondContact O-N 2.86Å
21T49.3Very low50.4Low126 Ų126136.3 Ų136.377%0.77378%0.775SS**  trans-75.693.9170.1-175.90000107.7P19P19-T21 PolarHBondContact O-N 3.27Å
22S49.8Very low50.4Low84 Ų84138.1 Ų138.159%0.58778%0.779SS**  trans-47.1124.6165.9-176.50000109.4E20 Q24E20-S22 VanDerWaalsContact C-N 3.34Å; E20-S22 PolarHBondContact O-N 2.86Å; S22-Q24 PolarHBondContact O-N 3.17Å
23P49.1Very low50.3Low115 Ų115136.5 Ų136.575%0.74778%0.78SS**  trans-73.996.1178.529.7-30.7000107.9
24Q58.3Low49.9Very low154 Ų154130.9 Ų130.972%0.7277%0.77SS**  trans-48.9138.3159.7-68.4-80.4-23.100108.2S22 R26S22-Q24 PolarHBondContact O-N 3.17Å; Q24-R26 PolarHBondContact O-N 3.03Å
25P56Low49.6Very low123 Ų123132.9 Ų132.980%0.79977%0.772SS**  trans-68.287176.629.3-32.6000108.2V27P25-V27 PolarHBondContact O-N 2.73Å
26R66.5Low49.3Very low189 Ų189133.6 Ų133.671%0.71377%0.767SS**  trans-80.1112.1176.5-168.8157.6-145-125.1-1.7106.8Q24 Y28Q24-R26 PolarHBondContact O-N 3.03Å; R26-Y28 HydrophobicContact CB-CD1 4.41Å; R26-Y28 HydrophobicContact CB-CE1 3.79Å; R26-Y28 HydrophobicContact CG-CD1 4.36Å; R26-Y28 HydrophobicContact CG-CE1 4.09Å; R26-Y28 WeakPolarHBondContact O-CD2 3.41Å; R26-Y28 WeakPolarHBondContact O-CE2 3.23Å; R26-Y28 VanDerWaalsContact O-CZ 3.31Å; R26-Y28 PolarHBondContact O-N 3.25Å
27V62.2Low49.1Very low121 Ų121136 Ų13673%0.73377%0.769SS**  trans-64.1100.7172.6-68.60000108.8P25P25-V27 PolarHBondContact O-N 2.73Å
28Y56.6Low48.7Very low172 Ų172138.3 Ų138.368%0.67577%0.771SS**  trans-82.4114.7171.3-36.9-81.4000107.2R26 Q30R26-Y28 HydrophobicContact CB-CD1 4.41Å; R26-Y28 HydrophobicContact CB-CE1 3.79Å; R26-Y28 HydrophobicContact CG-CD1 4.36Å; R26-Y28 HydrophobicContact CG-CE1 4.09Å; R26-Y28 WeakPolarHBondContact O-CD2 3.41Å; R26-Y28 WeakPolarHBondContact O-CE2 3.23Å; R26-Y28 VanDerWaalsContact O-CZ 3.31Å; R26-Y28 PolarHBondContact O-N 3.25Å; Y28-Q30 PolarHBondContact O-N 3.13Å; Y28-Q30 VanDerWaalsContact O-N 3.09Å
29F50.7Low48.8Very low196 Ų196138 Ų13886%0.8677%0.767SS**  trans-71.3104.4164.4-71.5-88.3000107.3T31F29-T31 PolarHBondContact O-N 2.79Å
30Q52.2Low48.7Very low176 Ų176140.2 Ų140.282%0.82277%0.767SS**  trans-85.298-176.5-156.4157.586.300108.3Y28Y28-Q30 PolarHBondContact O-N 3.13Å; Y28-Q30 VanDerWaalsContact O-N 3.09Å
31T52.4Low48.4Very low127 Ų127137.2 Ų137.278%0.77976%0.761SS**PPolyproline II helixtrans-80.6120165.826.60000109F29 A33F29-T31 PolarHBondContact O-N 2.79Å; T31-A33 PolarHBondContact O-N 3.48Å
32P46.5Very low48.3Very low129 Ų129136.8 Ų136.884%0.83876%0.761SS**PPolyproline II helixtrans-72.6121.3176.628.8-31.7000109.5
33A44.3Very low48.3Very low107 Ų107139.3 Ų139.388%0.88477%0.772SS**PPolyproline II helixtrans-96.4116.2167.700000108.4T31T31-A33 PolarHBondContact O-N 3.48Å
34G38.4Very low48.5Very low67 Ų67144.9 Ų144.969%0.69178%0.778SS**  trans178.687.2174.700000113.5
35T42.1Very low48.2Very low140 Ų140147 Ų14786%0.85979%0.785SS**  trans59.5117143.8-42.20000118.6
36T34.5Very low47.8Very low110 Ų110150.3 Ų150.368%0.67579%0.79SS**  trans168.3125.4136.4-71.20000109.5
37E40.7Very low46.5Very low181 Ų181144.2 Ų144.285%0.84679%0.786SS**  trans25.1133.3138.4-46.1179.1109.700119.1
38E38.3Very low45.4Very low180 Ų180149.4 Ų149.484%0.84179%0.792SS**  trans-18.7163.5166.4-77.8-93.3112.200118.6
39P47.7Very low44.2Very low92 Ų92146.3 Ų146.360%0.59779%0.791SS**  cis-120.6-160.9-30.728-6.2000109.4
40E41.6Very low43.8Very low168 Ų168142 Ų14279%0.78578%0.781SS**  trans84.498.9165.5-38.6-161.9136.100117.5
41T38.5Very low43.4Very low124 Ų124134.9 Ų134.976%0.76175%0.749SS**  163.5131.8102.243.40000109.3V43T41-V43 PolarHBondContact O-N 2.91Å
42P47.4Very low43.6Very low118 Ų118138.5 Ų138.577%0.76675%0.754SS**  trans-68.1121-179.526.3-29.7000109.1R44P42-R44 PolarHBondContact O-N 3.46Å
43V49.6Very low44.4Very low136 Ų136137 Ų13782%0.82473%0.733SS**  trans-52102.7170.7176.30000107.9T41 K45T41-V43 PolarHBondContact O-N 2.91Å; V43-K45 PolarHBondContact O-N 3.33Å
44R53.7Low45.8Very low233 Ų233137.7 Ų137.788%0.87972%0.721SS**  trans-59.4100178.3-70.3178.8168.2-169.2-4.1107.5P42 Q46P42-R44 PolarHBondContact O-N 3.46Å; R44-Q46 PolarHBondContact O-N 3.12Å
45K52.5Low47.7Very low197 Ų197143.3 Ų143.386%0.85772%0.722SS**  trans-50.9113.8171.6-64.6175.5-178.2176.80106.7V43 G47V43-K45 PolarHBondContact O-N 3.33Å; K45-G47 VanDerWaalsContact C-N 3.33Å; K45-G47 PolarHBondContact O-N 3.06Å
46Q47Very low49.5Very low194 Ų194144.8 Ų144.891%0.90772%0.716SS**  trans-52.7102.1173-67.3170.416.100106.9R44 R48R44-Q46 PolarHBondContact O-N 3.12Å; Q46-R48 PolarHBondContact O-N 3.39Å
47G40Very low51.7Low60 Ų60140.2 Ų140.262%0.61969%0.687SS**  trans-61.6121-17600000108K45 V49K45-G47 VanDerWaalsContact C-N 3.33Å; K45-G47 PolarHBondContact O-N 3.06Å; G47-V49 VanDerWaalsContact C-N 3.33Å; G47-V49 PolarHBondContact O-N 3.31Å
48R38.4Very low53.6Low230 Ų230134.7 Ų134.787%0.86866%0.663SS**  trans-61.6103.3162.8-70.8-169.7-168.9-153.34106.7Q46 T50Q46-R48 PolarHBondContact O-N 3.39Å; R48-T50 PolarHBondContact O-N 3.45Å
49V31Very low55.7Low108 Ų108132.9 Ų132.966%0.65565%0.649SS**  trans-80.458.7168.5-172.30000107.4G47 V51G47-V49 VanDerWaalsContact C-N 3.33Å; G47-V49 PolarHBondContact O-N 3.31Å; V49-V51 PolarHBondContact O-N 2.88Å
50T42Very low57.4Low105 Ų105133.2 Ų133.264%0.64464%0.64SS**  trans-93.193.8164.354.10000105.5R48 K52R48-T50 PolarHBondContact O-N 3.45Å; T50-K52 PolarHBondContact O-N 3.21Å; T50-K52 VanDerWaalsContact O-N 3.12Å
51V44.9Very low59.2Low26 Ų26127.3 Ų127.316%0.15861%0.611CS.*  trans-50121.6164.6-176.10000106.8V49 Y53 S135 T136 P137V49-V51 PolarHBondContact O-N 2.88Å; V51-Y53 HydrophobicContact CB-CD1 4.43Å; V51-Y53 HydrophobicContact CB-CD2 4.35Å; V51-Y53 HydrophobicContact CB-CE1 3.85Å; V51-Y53 HydrophobicContact CB-CE2 3.75Å; V51-Y53 VanDerWaalsContact CB-CZ 3.48Å; V51-Y53 HydrophobicContact CG1-CD1 3.74Å; V51-Y53 HydrophobicContact CG1-CE1 3.24Å; V51-Y53 HydrophobicContact CG1-CE2 4.09Å; V51-Y53 HydrophobicContact CG1-CG 4.37Å; V51-Y53 VanDerWaalsContact CG1-CZ 3.46Å; V51-Y53 WeakPolarHBondContact O-CD2 3.36Å; V51-Y53 PolarHBondContact O-N 3.39Å; V51-S135 WeakPolarHBondContact CG1-O 3.1Å; V51-T136 HydrophobicContact CG1-CG2 4.46Å; V51-T136 HydrophobicContact CG2-CG2 4.29Å; V51-P137 VanDerWaalsContact CG2-CD 3.43Å; V51-P137 HydrophobicContact CG2-CG 4.26Å
52K57.3Low61.3Low204 Ų204126.4 Ų126.489%0.88760%0.601SS**  trans-8192.9-175.6-129.4-165.2179.5-172.80107.1T50T50-K52 PolarHBondContact O-N 3.21Å; T50-K52 VanDerWaalsContact O-N 3.12Å
53Y61.7Low63.1Low98 Ų98125.6 Ų125.638%0.38459%0.59SS.*  trans-85140.1175-56.4-63.7000110.5V51 R55 L58 L134V51-Y53 HydrophobicContact CB-CD1 4.43Å; V51-Y53 HydrophobicContact CB-CD2 4.35Å; V51-Y53 HydrophobicContact CB-CE1 3.85Å; V51-Y53 HydrophobicContact CB-CE2 3.75Å; V51-Y53 VanDerWaalsContact CB-CZ 3.48Å; V51-Y53 HydrophobicContact CG1-CD1 3.74Å; V51-Y53 HydrophobicContact CG1-CE1 3.24Å; V51-Y53 HydrophobicContact CG1-CE2 4.09Å; V51-Y53 HydrophobicContact CG1-CG 4.37Å; V51-Y53 VanDerWaalsContact CG1-CZ 3.46Å; V51-Y53 WeakPolarHBondContact O-CD2 3.36Å; V51-Y53 PolarHBondContact O-N 3.39Å; Y53-R55 PolarHBondContact O-N 3.2Å; Y53-L58 HydrophobicContact CD2-CD2 4.27Å; Y53-L58 HydrophobicContact CG-CD1 4.46Å; Y53-L58 HydrophobicContact CG-CD2 4Å; Y53-L58 HydrophobicContact CG-CG 4.4Å; Y53-L134 HydrophobicContact CD1-CB 3.76Å; Y53-L134 HydrophobicContact CD1-CD1 4.19Å; Y53-L134 HydrophobicContact CD1-CD2 3.78Å; Y53-L134 HydrophobicContact CD1-CG 4.11Å; Y53-L134 HydrophobicContact CE1-CB 3.77Å; Y53-L134 HydrophobicContact CE1-CD1 4.47Å; Y53-L134 HydrophobicContact CG-CD2 4.45Å
54D75.1Confident64.7Low121 Ų121119.3 Ų119.365%0.64755%0.552SS**  trans-70.5125.1172.6-106.4-56.6000110.1K56 E57 L58D54-K56 PolarHBondContact O-N 3.13Å; D54-K56 VanDerWaalsContact O-N 3.13Å; D54-E57 HydrophobicContact CB-CB 3.85Å; D54-E57 PolarHBondContact O-N 3.4Å; D54-L58 PolarHBondContact O-N 3.34Å
55R77.3Confident66Low184 Ų184112.2 Ų112.269%0.69453%0.529SS*.Hα-helixtrans-58-32.1-178.1-177.5175.6179.8155.52.3112.8Y53 R59Y53-R55 PolarHBondContact O-N 3.2Å; R55-R59 WeakPolarHBondContact O-CG 3.33Å; R55-R59 PolarHBondContact O-N 2.8Å
56K80.4Confident67.5Low172 Ų172108.5 Ų108.575%0.74851%0.514SS*.Hα-helixtrans-71.6-39.5176.5-67.4-177.6179.5179.30111.4D54 R59 K60D54-K56 PolarHBondContact O-N 3.13Å; D54-K56 VanDerWaalsContact O-N 3.13Å; K56-R59 WeakPolarHBondContact O-CB 3.39Å; K56-R59 PolarHBondContact O-N 2.87Å; K56-K60 PolarHBondContact O-N 2.95Å; K56-K60 VanDerWaalsContact O-N 3.15Å
57E79.7Confident69.5Low14 Ų14100.7 Ų100.77%0.06548%0.477CS..Hα-helixtrans-72.9-40.9-179.6-163.159.1-149.800111.2D54 R59 K60 R61 M131 Q132 L134D54-E57 HydrophobicContact CB-CB 3.85Å; D54-E57 PolarHBondContact O-N 3.4Å; E57-R59 PolarHBondContact O-N 2.94Å; E57-K60 CarbonylContact O-C 3.6Å; E57-K60 WeakPolarHBondContact O-CB 3.5Å; E57-K60 PolarHBondContact O-N 3.22Å; E57-K60 WeakPolarHBondContact OE2-CD 3.42Å; E57-K60 IonicContact OE2-NZ 3.72Å; E57-K60 PolarHBondContact OE2-NZ 3.19Å; E57-K60 VanDerWaalsContact OE2-NZ 3.13Å; E57-R61 PolarHBondContact O-N 2.62Å; E57-M131 WeakPolarHBondContact OE1-CA 3.48Å; E57-M131 WeakPolarHBondContact OE1-CB 3.39Å; E57-Q132 HydrophobicContact CG-CB 4.3Å; E57-Q132 PolarHBondContact OE1-N 2.92Å; E57-L134 HydrophobicContact CB-CD2 4.05Å; E57-L134 HydrophobicContact CG-CD2 3.72Å; E57-L134 HydrophobicContact CG-CG 4.42Å
58L80.7Confident71.5Confident65 Ų6598.6 Ų98.634%0.3445%0.451SS..Hα-helixtrans-56.2-38.4170.6-75175.3000112.6Y53 D54 R61 L62 L134Y53-L58 HydrophobicContact CD2-CD2 4.27Å; Y53-L58 HydrophobicContact CG-CD1 4.46Å; Y53-L58 HydrophobicContact CG-CD2 4Å; Y53-L58 HydrophobicContact CG-CG 4.4Å; D54-L58 PolarHBondContact O-N 3.34Å; L58-R61 WeakPolarHBondContact O-CB 3.47Å; L58-R61 PolarHBondContact O-N 3.04Å; L58-L62 WeakPolarHBondContact O-CG 3.49Å; L58-L62 PolarHBondContact O-N 3.48Å; L58-L134 HydrophobicContact CD2-CD1 4.09Å
59R82.4Confident73.4Confident142 Ų14292.5 Ų92.554%0.53644%0.435SS..Hα-helixtrans-64.5-46.9174.4-78.9175.2175.1-176.7-4.5111.1R55 K56 E57 R61 L62 N63R55-R59 WeakPolarHBondContact O-CG 3.33Å; R55-R59 PolarHBondContact O-N 2.8Å; K56-R59 WeakPolarHBondContact O-CB 3.39Å; K56-R59 PolarHBondContact O-N 2.87Å; E57-R59 PolarHBondContact O-N 2.94Å; R59-R61 PolarHBondContact O-N 3.37Å; R59-L62 PolarHBondContact O-N 3.23Å; R59-N63 PolarHBondContact O-N 3.35Å; R59-N63 PolarHBondContact O-ND2 2.99Å
60K83.4Confident75.8Confident98 Ų9891.4 Ų91.443%0.42643%0.425SS..Hα-helixtrans-58.8-38.8175.2-68.1177.9-177.6170.50111.6K56 E57 N63 L64 G130K56-K60 PolarHBondContact O-N 2.95Å; K56-K60 VanDerWaalsContact O-N 3.15Å; E57-K60 CarbonylContact O-C 3.6Å; E57-K60 WeakPolarHBondContact O-CB 3.5Å; E57-K60 PolarHBondContact O-N 3.22Å; E57-K60 WeakPolarHBondContact OE2-CD 3.42Å; E57-K60 IonicContact OE2-NZ 3.72Å; E57-K60 PolarHBondContact OE2-NZ 3.19Å; E57-K60 VanDerWaalsContact OE2-NZ 3.13Å; K60-N63 PolarHBondContact O-N 2.93Å; K60-L64 WeakPolarHBondContact O-CB 3.06Å; K60-L64 PolarHBondContact O-N 3.4Å; K60-G130 PolarHBondContact NZ-O 2.72Å
61R79.6Confident77.8Confident44 Ų4488.7 Ų88.717%0.16641%0.405CS..Hα-helixtrans-60.1-51.4177.1-177.460.1177-162.64.7112.3E57 L58 R59 N63 L64 E65 V90 M131 L134E57-R61 PolarHBondContact O-N 2.62Å; L58-R61 WeakPolarHBondContact O-CB 3.47Å; L58-R61 PolarHBondContact O-N 3.04Å; R59-R61 PolarHBondContact O-N 3.37Å; R61-N63 VanDerWaalsContact C-N 3.34Å; R61-N63 PolarHBondContact O-N 3.47Å; R61-L64 WeakPolarHBondContact O-CB 3.48Å; R61-L64 PolarHBondContact O-N 2.89Å; R61-L64 VanDerWaalsContact O-N 3.1Å; R61-E65 WeakPolarHBondContact CG-OE1 3.48Å; R61-E65 IonicContact CZ-OE1 2.64Å; R61-E65 IonicContact NE-OE1 3.7Å; R61-E65 PolarHBondContact NE-OE1 2.97Å; R61-E65 PolarHBondContact O-N 2.68Å; R61-V90 VanDerWaalsContact NH2-CG2 3.34Å; R61-M131 HydrophobicContact CB-CE 3.95Å; R61-M131 HydrophobicContact CG-CE 4.44Å; R61-L134 HydrophobicContact CB-CD1 4.47Å; R61-L134 HydrophobicContact CG-CD1 4.41Å
62L82.9Confident79.2Confident106 Ų10688.2 Ų88.256%0.55540%0.402SS*.Hα-helixtrans-60.1-44.4176.9-71.9167.2000111.7L58 R59 L64 E65 E66L58-L62 WeakPolarHBondContact O-CG 3.49Å; L58-L62 PolarHBondContact O-N 3.48Å; R59-L62 PolarHBondContact O-N 3.23Å; L62-L64 PolarHBondContact O-N 3.25Å; L62-E65 PolarHBondContact O-N 3.12Å; L62-E66 WeakPolarHBondContact O-CB 3.33Å; L62-E66 PolarHBondContact O-N 2.91Å
63N85.3Confident80.1Confident101 Ų10182.1 Ų82.154%0.5438%0.382SS..Hα-helixtrans-64-31.3176.6-77.7-89.8000112.3R59 K60 R61 W67R59-N63 PolarHBondContact O-N 3.35Å; R59-N63 PolarHBondContact O-ND2 2.99Å; K60-N63 PolarHBondContact O-N 2.93Å; R61-N63 VanDerWaalsContact C-N 3.34Å; R61-N63 PolarHBondContact O-N 3.47Å; N63-W67 VanDerWaalsContact O-CB 3.22Å; N63-W67 WeakPolarHBondContact O-CB 3.31Å; N63-W67 PolarHBondContact O-N 2.84Å; N63-W67 VanDerWaalsContact O-N 3.11Å
64L83.9Confident80.8Confident4 Ų482.4 Ų82.42%0.02139%0.39CS..Hα-helixtrans-70.1-47.8175.3-178.267.9000110.7K60 R61 L62 W67 I68 V90 L124 K127 I128 M131K60-L64 WeakPolarHBondContact O-CB 3.06Å; K60-L64 PolarHBondContact O-N 3.4Å; R61-L64 WeakPolarHBondContact O-CB 3.48Å; R61-L64 PolarHBondContact O-N 2.89Å; R61-L64 VanDerWaalsContact O-N 3.1Å; L62-L64 PolarHBondContact O-N 3.25Å; L64-W67 HydrophobicContact CD1-CE3 3.85Å; L64-W67 HydrophobicContact CD1-CZ3 4.19Å; L64-W67 PolarHBondContact O-N 3.41Å; L64-I68 HydrophobicContact CD1-CD1 4.33Å; L64-I68 HydrophobicContact CD1-CG1 4.4Å; L64-I68 HydrophobicContact CD2-CD1 4.32Å; L64-I68 HydrophobicContact CG-CD1 3.88Å; L64-I68 HydrophobicContact CG-CG1 4.35Å; L64-I68 VanDerWaalsContact O-CG1 3.29Å; L64-I68 WeakPolarHBondContact O-CG1 3.37Å; L64-I68 PolarHBondContact O-N 3.28Å; L64-V90 HydrophobicContact CD2-CG1 4.38Å; L64-V90 HydrophobicContact CD2-CG2 3.91Å; L64-L124 HydrophobicContact CD1-CD1 4.02Å; L64-L124 HydrophobicContact CD2-CD1 4.44Å; L64-K127 HydrophobicContact CD1-CB 3.6Å; L64-K127 HydrophobicContact CD1-CD 3.58Å; L64-K127 HydrophobicContact CD1-CG 4.22Å; L64-I128 HydrophobicContact CD2-CG2 3.81Å; L64-M131 HydrophobicContact CB-SD 4.31Å; L64-M131 HydrophobicContact CD2-CE 4.11Å; L64-M131 HydrophobicContact CD2-SD 3.36Å; L64-M131 WeakPolarHBondContact CD2-SD 3.04Å; L64-M131 HydrophobicContact CG-SD 4.36Å
65E81.5Confident80.6Confident84 Ų8477.5 Ų77.539%0.39336%0.364SS..Hα-helixtrans-60.7-46.1179.3-72.6173-162.700111.5R61 L62 W67 I68 I69R61-E65 WeakPolarHBondContact CG-OE1 3.48Å; R61-E65 IonicContact CZ-OE1 2.64Å; R61-E65 IonicContact NE-OE1 3.7Å; R61-E65 PolarHBondContact NE-OE1 2.97Å; R61-E65 PolarHBondContact O-N 2.68Å; L62-E65 PolarHBondContact O-N 3.12Å; E65-W67 PolarHBondContact O-N 3.43Å; E65-I68 PolarHBondContact O-N 3.2Å; E65-I69 WeakPolarHBondContact O-CD1 3.26Å; E65-I69 VanDerWaalsContact O-CG1 3.29Å; E65-I69 WeakPolarHBondContact O-CG1 3.14Å; E65-I69 PolarHBondContact O-N 3.14Å
66E83.3Confident80.1Confident118 Ų11870.4 Ų70.455%0.55134%0.337SS*.Hα-helixtrans-59-46.4174.8-173.2175.9173.800111.4L62 I68 I69 D70L62-E66 WeakPolarHBondContact O-CB 3.33Å; L62-E66 PolarHBondContact O-N 2.91Å; E66-I68 PolarHBondContact O-N 3.44Å; E66-I69 PolarHBondContact O-N 3.44Å; E66-D70 PolarHBondContact O-N 2.64Å
67W87.8Confident79.1Confident30 Ų3068.4 Ų68.411%0.11434%0.335CS..Hα-helixtrans-65.5-37.7177.3172.381.4000113.3N63 L64 E65 I69 D70 Q71 F120 E123 L124 K127N63-W67 VanDerWaalsContact O-CB 3.22Å; N63-W67 WeakPolarHBondContact O-CB 3.31Å; N63-W67 PolarHBondContact O-N 2.84Å; N63-W67 VanDerWaalsContact O-N 3.11Å; L64-W67 HydrophobicContact CD1-CE3 3.85Å; L64-W67 HydrophobicContact CD1-CZ3 4.19Å; L64-W67 PolarHBondContact O-N 3.41Å; E65-W67 PolarHBondContact O-N 3.43Å; W67-I69 VanDerWaalsContact C-N 3.3Å; W67-I69 PolarHBondContact O-N 2.83Å; W67-D70 PolarHBondContact O-N 3.32Å; W67-Q71 HydrophobicContact CD2-CG 4.02Å; W67-Q71 VanDerWaalsContact CE2-CG 3.47Å; W67-Q71 HydrophobicContact CG-CG 4.36Å; W67-Q71 HydrophobicContact CH2-CG 4.4Å; W67-Q71 HydrophobicContact CZ2-CG 3.69Å; W67-Q71 WeakPolarHBondContact O-CB 3.43Å; W67-Q71 VanDerWaalsContact O-CG 3.29Å; W67-Q71 WeakPolarHBondContact O-CG 3.2Å; W67-Q71 PolarHBondContact O-N 3.01Å; W67-F120 AromaticContact CH2-CD2 3.73Å; W67-F120 HydrophobicContact CH2-CD2 3.73Å; W67-F120 AromaticContact CH2-CE2 3.82Å; W67-F120 HydrophobicContact CH2-CE2 3.82Å; W67-F120 HydrophobicContact CZ2-CD2 4.23Å; W67-F120 HydrophobicContact CZ3-CD2 4.22Å; W67-F120 AromaticContact CZ3-CE2 3.83Å; W67-F120 HydrophobicContact CZ3-CE2 3.83Å; W67-E123 HydrophobicContact CH2-CB 3.63Å; W67-E123 HydrophobicContact CZ2-CB 3.39Å; W67-E123 HydrophobicContact CZ2-CG 4.32Å; W67-E123 VanDerWaalsContact CZ2-OE2 3.28Å; W67-E123 WeakPolarHBondContact CZ2-OE2 3.45Å; W67-L124 HydrophobicContact CH2-CB 3.92Å; W67-L124 HydrophobicContact CZ3-CB 3.86Å; W67-L124 HydrophobicContact CZ3-CD1 4.02Å; W67-K127 HydrophobicContact CD2-CD 3.89Å; W67-K127 HydrophobicContact CE3-CD 3.78Å; W67-K127 HydrophobicContact CG-CD 4.42Å; W67-K127 HydrophobicContact CZ3-CD 4.14Å
68I81.9Confident77.9Confident16 Ų1671.7 Ų71.78%0.08236%0.358CS..Hα-helixtrans-60.8-45.3175.1-73.2169.4000109.4L64 E65 E66 Q71 L72 I88 F120 L124L64-I68 HydrophobicContact CD1-CD1 4.33Å; L64-I68 HydrophobicContact CD1-CG1 4.4Å; L64-I68 HydrophobicContact CD2-CD1 4.32Å; L64-I68 HydrophobicContact CG-CD1 3.88Å; L64-I68 HydrophobicContact CG-CG1 4.35Å; L64-I68 VanDerWaalsContact O-CG1 3.29Å; L64-I68 WeakPolarHBondContact O-CG1 3.37Å; L64-I68 PolarHBondContact O-N 3.28Å; E65-I68 PolarHBondContact O-N 3.2Å; E66-I68 PolarHBondContact O-N 3.44Å; I68-Q71 PolarHBondContact O-N 3.05Å; I68-L72 HydrophobicContact CG2-CD1 3.78Å; I68-L72 HydrophobicContact CG2-CG 4.3Å; I68-L72 WeakPolarHBondContact O-CB 3.23Å; I68-L72 VanDerWaalsContact O-CG 3.22Å; I68-L72 WeakPolarHBondContact O-CG 3.37Å; I68-L72 PolarHBondContact O-N 3.2Å; I68-I88 HydrophobicContact CG2-CD1 3.92Å; I68-F120 HydrophobicContact CG1-CE2 4.46Å; I68-F120 HydrophobicContact CG1-CZ 4.43Å; I68-F120 HydrophobicContact CG2-CZ 4.34Å; I68-L124 HydrophobicContact CD1-CD1 3.84Å; I68-L124 HydrophobicContact CG1-CD1 4.13Å
69I79.5Confident76.2Confident103 Ų10376.7 Ų76.753%0.52838%0.38SS..Hα-helixtrans-63.2-46.9178.9-67.1162.5000110.9E65 E66 W67 Q71 L72 T73E65-I69 WeakPolarHBondContact O-CD1 3.26Å; E65-I69 VanDerWaalsContact O-CG1 3.29Å; E65-I69 WeakPolarHBondContact O-CG1 3.14Å; E65-I69 PolarHBondContact O-N 3.14Å; E66-I69 PolarHBondContact O-N 3.44Å; W67-I69 VanDerWaalsContact C-N 3.3Å; W67-I69 PolarHBondContact O-N 2.83Å; I69-Q71 PolarHBondContact O-N 3.39Å; I69-L72 PolarHBondContact O-N 3.36Å; I69-T73 WeakPolarHBondContact O-CB 3.46Å; I69-T73 PolarHBondContact O-N 3.48Å; I69-T73 PolarHBondContact O-OG1 2.93Å
70D82.2Confident74.6Confident85 Ų8579 Ų7946%0.45540%0.397SS..Hα-helixtrans-59.8-47.3177.8-78.9-8.2000111.2E66 W67 L72 T73 D74E66-D70 PolarHBondContact O-N 2.64Å; W67-D70 PolarHBondContact O-N 3.32Å; D70-L72 PolarHBondContact O-N 2.93Å; D70-T73 WeakPolarHBondContact O-CB 3.47Å; D70-T73 PolarHBondContact O-N 2.96Å; D70-D74 PolarHBondContact O-N 3.48Å
71Q81.9Confident72.8Confident47 Ų4783.3 Ų83.322%0.2242%0.419CS..Hα-helixtrans-63.7-41.8177.8-72.3-59.2-73.800112.4W67 I68 I69 T73 D74 L75 F120W67-Q71 HydrophobicContact CD2-CG 4.02Å; W67-Q71 VanDerWaalsContact CE2-CG 3.47Å; W67-Q71 HydrophobicContact CG-CG 4.36Å; W67-Q71 HydrophobicContact CH2-CG 4.4Å; W67-Q71 HydrophobicContact CZ2-CG 3.69Å; W67-Q71 WeakPolarHBondContact O-CB 3.43Å; W67-Q71 VanDerWaalsContact O-CG 3.29Å; W67-Q71 WeakPolarHBondContact O-CG 3.2Å; W67-Q71 PolarHBondContact O-N 3.01Å; I68-Q71 PolarHBondContact O-N 3.05Å; I69-Q71 PolarHBondContact O-N 3.39Å; Q71-T73 VanDerWaalsContact C-N 3.29Å; Q71-T73 PolarHBondContact O-N 3.27Å; Q71-D74 PolarHBondContact O-N 2.98Å; Q71-L75 WeakPolarHBondContact O-CB 3.32Å; Q71-L75 WeakPolarHBondContact O-CD1 3.38Å; Q71-L75 VanDerWaalsContact O-CG 3.32Å; Q71-L75 WeakPolarHBondContact O-CG 3.46Å; Q71-L75 PolarHBondContact O-N 3.48Å; Q71-F120 HydrophobicContact CB-CD2 3.52Å; Q71-F120 HydrophobicContact CB-CE2 3.74Å; Q71-F120 HydrophobicContact CG-CD2 3.96Å; Q71-F120 HydrophobicContact CG-CE2 4.35Å
72L76.1Confident71.2Confident16 Ų1684 Ų848%0.08443%0.433CS..Hα-helixtrans-63.1-37.4174.7-74.1174.8000111.6I68 I69 D70 L75 Y76 L86 L110I68-L72 HydrophobicContact CG2-CD1 3.78Å; I68-L72 HydrophobicContact CG2-CG 4.3Å; I68-L72 WeakPolarHBondContact O-CB 3.23Å; I68-L72 VanDerWaalsContact O-CG 3.22Å; I68-L72 WeakPolarHBondContact O-CG 3.37Å; I68-L72 PolarHBondContact O-N 3.2Å; I69-L72 PolarHBondContact O-N 3.36Å; D70-L72 PolarHBondContact O-N 2.93Å; L72-L75 PolarHBondContact O-N 3.42Å; L72-Y76 HydrophobicContact CD2-CD2 4.32Å; L72-Y76 HydrophobicContact CD2-CE2 4.04Å; L72-Y76 WeakPolarHBondContact O-CB 3.41Å; L72-Y76 WeakPolarHBondContact O-CD2 3.33Å; L72-Y76 PolarHBondContact O-N 3.44Å; L72-L86 HydrophobicContact CD2-CD2 4.43Å; L72-L110 HydrophobicContact CD2-CD2 3.63Å
73T75.5Confident69.8Low77 Ų7782.4 Ų82.447%0.47243%0.425SS..Hα-helixtrans-63.2-48.2176.1-56.30000110.9I69 D70 Q71 L75 D77I69-T73 WeakPolarHBondContact O-CB 3.46Å; I69-T73 PolarHBondContact O-N 3.48Å; I69-T73 PolarHBondContact O-OG1 2.93Å; D70-T73 WeakPolarHBondContact O-CB 3.47Å; D70-T73 PolarHBondContact O-N 2.96Å; Q71-T73 VanDerWaalsContact C-N 3.29Å; Q71-T73 PolarHBondContact O-N 3.27Å; T73-L75 VanDerWaalsContact C-N 3.33Å; T73-L75 PolarHBondContact O-N 2.84Å; T73-D77 PolarHBondContact O-N 2.89Å
74D76.3Confident68.4Low104 Ų10480.3 Ų80.356%0.55642%0.417SS*.Hα-helixtrans-62.9-39175.9-72.8-20.3000112.3D70 Q71 K115D70-D74 PolarHBondContact O-N 3.48Å; Q71-D74 PolarHBondContact O-N 2.98Å; D74-K115 PolarHBondContact O-NZ 3.3Å
75L71.8Confident67.2Low18 Ų1889.9 Ų89.99%0.09446%0.461CS..Hα-helixtrans-69.1-43.4-179.4-86.6156.1000112.1Q71 L72 T73 K115 T117 F120Q71-L75 WeakPolarHBondContact O-CB 3.32Å; Q71-L75 WeakPolarHBondContact O-CD1 3.38Å; Q71-L75 VanDerWaalsContact O-CG 3.32Å; Q71-L75 WeakPolarHBondContact O-CG 3.46Å; Q71-L75 PolarHBondContact O-N 3.48Å; L72-L75 PolarHBondContact O-N 3.42Å; T73-L75 VanDerWaalsContact C-N 3.33Å; T73-L75 PolarHBondContact O-N 2.84Å; L75-K115 HydrophobicContact CD2-CB 3.73Å; L75-K115 WeakPolarHBondContact O-CD 3.43Å; L75-K115 WeakPolarHBondContact O-CE 3.11Å; L75-K115 WeakPolarHBondContact O-CG 3.3Å; L75-T117 HydrophobicContact CD2-CG2 4.19Å; L75-F120 HydrophobicContact CD1-CB 4Å; L75-F120 HydrophobicContact CD1-CD2 4.32Å; L75-F120 HydrophobicContact CD1-CG 4.07Å
76Y66Low66.4Low34 Ų3487.9 Ų87.913%0.13345%0.453CS..Hα-helixtrans-89.5-21.3-174.6-80.9-89.6000114.3L72 C78 L110 C113L72-Y76 HydrophobicContact CD2-CD2 4.32Å; L72-Y76 HydrophobicContact CD2-CE2 4.04Å; L72-Y76 WeakPolarHBondContact O-CB 3.41Å; L72-Y76 WeakPolarHBondContact O-CD2 3.33Å; L72-Y76 PolarHBondContact O-N 3.44Å; Y76-C78 VanDerWaalsContact O-CB 3.27Å; Y76-C78 WeakPolarHBondContact O-CB 3.27Å; Y76-C78 PolarHBondContact O-N 2.8Å; Y76-L110 HydrophobicContact CE2-CD2 4.47Å; Y76-C113 HydrophobicContact CE1-CB 4.35Å; Y76-C113 HydrophobicContact CE2-CB 4.02Å; Y76-C113 WeakPolarHBondContact OH-CB 3.22Å; Y76-C113 PolarHBondContact OH-N 3.11Å
77D60.4Low65.8Low131 Ų13189.1 Ų89.170%0.70146%0.459SS*.  trans49.517.7173.3-124.3-22.2000114.7T73 K115T73-D77 PolarHBondContact O-N 2.89Å; D77-K115 IonicContact OD2-NZ 3.6Å; D77-K115 PolarHBondContact OD2-NZ 3.28Å
78C52.7Low65.4Low82 Ų8288.6 Ų88.655%0.55446%0.458SS*.SBendtrans-123.6142.5-165-99.40000111.3Y76Y76-C78 VanDerWaalsContact O-CB 3.27Å; Y76-C78 WeakPolarHBondContact O-CB 3.27Å; Y76-C78 PolarHBondContact O-N 2.8Å
79E46.2Very low65.3Low171 Ų17191.4 Ų91.480%0.79947%0.473SS*.  trans-42.2135.3166.4-95.2168162.900111E81 A82E79-E81 PolarHBondContact O-N 2.86Å; E79-A82 PolarHBondContact O-N 3.46Å
80E49.1Very low65.4Low191 Ų19186.6 Ų86.689%0.89345%0.449SS*.THydrogen-bonded Turntrans-30.2-14.4178.3-161173.2115.300118.3
81E45Very low65.3Low188 Ų18885.5 Ų85.588%0.87944%0.443SS*.THydrogen-bonded Turntrans-86.1-12.1-176.4-74.4-170.9130.100115.9E79E79-E81 PolarHBondContact O-N 2.86Å
82A46.4Very low65.4Low58 Ų5886.4 Ų86.448%0.47945%0.447SS..SBendtrans-115.12-174.900000115.1E79 P84E79-A82 PolarHBondContact O-N 3.46Å; A82-P84 WeakPolarHBondContact O-CD 3.36Å
83I52.8Low65.8Low73 Ų7385.8 Ų85.837%0.37444%0.444SS..  trans-81.2102.2170.7-55.7175.5000106
84P56.5Low66.1Low57 Ų5783.7 Ų83.737%0.3743%0.429SS..  trans-54.8154.9170.424.5-33.5000109.1A82 L86A82-P84 WeakPolarHBondContact O-CD 3.36Å; P84-L86 PolarHBondContact O-N 2.85Å
85E57.8Low66.4Low205 Ų20583.7 Ų83.796%0.95843%0.429SS*.  trans-62.276.7172.1-72.3177.2111.700109.8E87E85-E87 PolarHBondContact O-N 3.39Å
86L64.9Low67Low41 Ų4184.5 Ų84.522%0.21543%0.433CS..  trans-88.694.9-175.2-164.973.5000108.6L72 P84 L109 L110L72-L86 HydrophobicContact CD2-CD2 4.43Å; P84-L86 PolarHBondContact O-N 2.85Å; L86-L109 HydrophobicContact CD1-CB 3.79Å; L86-L109 HydrophobicContact CD1-CD2 3.54Å; L86-L109 HydrophobicContact CD1-CG 4.29Å; L86-L109 WeakPolarHBondContact CD1-O 3.29Å; L86-L109 HydrophobicContact CD2-CB 4.32Å; L86-L109 HydrophobicContact CG-CB 4.3Å; L86-L109 HydrophobicContact CG-CD2 4.25Å; L86-L110 HydrophobicContact CD2-CD2 3.76Å
87E71.3Confident67.7Low145 Ų14588.5 Ų88.568%0.67846%0.464SS*.  trans-87.8108.1176.3-168.9168.6-169.200109.9E85 D89E85-E87 PolarHBondContact O-N 3.39Å; E87-D89 PolarHBondContact O-N 2.88Å
88I79.1Confident68.9Low18 Ų1884.4 Ų84.49%0.09245%0.445CS..  trans-8698.8172.3-57.8-179.3000108.8I68 V90 L93 F120 L124I68-I88 HydrophobicContact CG2-CD1 3.92Å; I88-V90 PolarHBondContact O-N 3.03Å; I88-L93 HydrophobicContact CG2-CD1 3.77Å; I88-F120 HydrophobicContact CD1-CE1 4.28Å; I88-F120 HydrophobicContact CD1-CZ 4Å; I88-L124 HydrophobicContact CD1-CD2 4.4Å; I88-L124 HydrophobicContact CG2-CD2 4.3Å
89D79.8Confident70.6Confident76 Ų7682.3 Ų82.341%0.40643%0.428SS..  trans-71.990.3175.8-81.3-45.8000112E87 D91 E92 L93E87-D89 PolarHBondContact O-N 2.88Å; D89-D91 PolarHBondContact O-N 2.66Å; D89-E92 HydrophobicContact CB-CB 3.73Å; D89-E92 WeakPolarHBondContact O-CB 3.2Å; D89-E92 PolarHBondContact O-N 3.09Å; D89-E92 VanDerWaalsContact O-N 3.09Å; D89-L93 PolarHBondContact O-N 3.29Å
90V82Confident72.6Confident2 Ų279.5 Ų79.51%0.01242%0.423CS..Hα-helixtrans-65-28.5178.8177.30000112.9R61 L64 I88 E92 L93 L94 I128R61-V90 VanDerWaalsContact NH2-CG2 3.34Å; L64-V90 HydrophobicContact CD2-CG1 4.38Å; L64-V90 HydrophobicContact CD2-CG2 3.91Å; I88-V90 PolarHBondContact O-N 3.03Å; V90-E92 VanDerWaalsContact C-N 3.3Å; V90-L93 PolarHBondContact O-N 2.97Å; V90-L94 HydrophobicContact CG1-CD1 4.12Å; V90-L94 HydrophobicContact CG1-CG 4.19Å; V90-L94 WeakPolarHBondContact O-CB 3.43Å; V90-L94 VanDerWaalsContact O-CG 3.28Å; V90-L94 WeakPolarHBondContact O-CG 3.32Å; V90-L94 PolarHBondContact O-N 3.35Å; V90-I128 HydrophobicContact CG1-CB 4.35Å; V90-I128 HydrophobicContact CG1-CG2 3.68Å
91D79.8Confident74.5Confident61 Ų6175.4 Ų75.433%0.32640%0.403SS..Hα-helixtrans-65.8-36.4173.9-78.4-29.9000111.1D89 L94 D95D89-D91 PolarHBondContact O-N 2.66Å; D91-L94 PolarHBondContact O-N 3.28Å; D91-D95 PolarHBondContact O-N 2.89Å
92E83.9Confident76.6Confident66 Ų6667.8 Ų67.831%0.30837%0.367SS..Hα-helixtrans-63.6-46.8171.6-169.9-169.2146.600110.2D89 V90 L94 D95 M96 R105D89-E92 HydrophobicContact CB-CB 3.73Å; D89-E92 WeakPolarHBondContact O-CB 3.2Å; D89-E92 PolarHBondContact O-N 3.09Å; D89-E92 VanDerWaalsContact O-N 3.09Å; V90-E92 VanDerWaalsContact C-N 3.3Å; E92-L94 VanDerWaalsContact C-N 3.32Å; E92-L94 PolarHBondContact O-N 2.63Å; E92-D95 PolarHBondContact O-N 3.36Å; E92-D95 VanDerWaalsContact O-N 3.14Å; E92-M96 HydrophobicContact CG-CE 4.1Å; E92-M96 PolarHBondContact O-N 3.27Å; E92-M96 WeakPolarHBondContact OE1-CE 3.22Å; E92-R105 IonicContact OE1-CZ 2.62Å; E92-R105 IonicContact OE1-NE 3.82Å; E92-R105 PolarHBondContact OE1-NE 3.27Å; E92-R105 IonicContact OE1-NH2 3.69Å; E92-R105 IonicContact OE2-NH2 2.8Å
93L84.4Confident78.5Confident3 Ų365.9 Ų65.92%0.01635%0.351CS..Hα-helixtrans-60.7-41.1177-61.5-179.8000111.8I88 D89 V90 D95 M96 R102 R105 V106 L124 I128I88-L93 HydrophobicContact CG2-CD1 3.77Å; D89-L93 PolarHBondContact O-N 3.29Å; V90-L93 PolarHBondContact O-N 2.97Å; L93-D95 VanDerWaalsContact C-N 3.29Å; L93-D95 PolarHBondContact O-N 2.97Å; L93-M96 PolarHBondContact O-N 3.47Å; L93-R102 HydrophobicContact CB-CG 4.4Å; L93-R102 HydrophobicContact CD2-CB 4.19Å; L93-R102 HydrophobicContact CD2-CG 4.48Å; L93-R102 VanDerWaalsContact O-CD 3.3Å; L93-R102 WeakPolarHBondContact O-CD 3.32Å; L93-R102 WeakPolarHBondContact O-CG 3.28Å; L93-R102 PolarHBondContact O-NE 3.38Å; L93-R105 HydrophobicContact CD2-CB 4.19Å; L93-R105 HydrophobicContact CD2-CG 4.33Å; L93-V106 HydrophobicContact CD1-CG2 3.86Å; L93-V106 HydrophobicContact CD2-CG2 3.95Å; L93-L124 HydrophobicContact CD1-CD2 4.35Å; L93-I128 HydrophobicContact CB-CD1 3.79Å; L93-I128 HydrophobicContact CD1-CD1 4.07Å
94L82.5Confident80.2Confident33 Ų3364.6 Ų64.617%0.17335%0.351CS..Hα-helixtrans-66.7-30.2177-75174.1000112.8V90 D91 E92 M96 R102 I128 K133V90-L94 HydrophobicContact CG1-CD1 4.12Å; V90-L94 HydrophobicContact CG1-CG 4.19Å; V90-L94 WeakPolarHBondContact O-CB 3.43Å; V90-L94 VanDerWaalsContact O-CG 3.28Å; V90-L94 WeakPolarHBondContact O-CG 3.32Å; V90-L94 PolarHBondContact O-N 3.35Å; D91-L94 PolarHBondContact O-N 3.28Å; E92-L94 VanDerWaalsContact C-N 3.32Å; E92-L94 PolarHBondContact O-N 2.63Å; L94-M96 VanDerWaalsContact C-N 3.33Å; L94-R102 PolarHBondContact O-NH2 3.43Å; L94-I128 HydrophobicContact CD2-CB 4.38Å; L94-I128 WeakPolarHBondContact CD2-O 3.43Å; L94-K133 HydrophobicContact CD1-CB 4.27Å
95D82.6Confident81.7Confident104 Ų10466.5 Ų66.556%0.55635%0.351SS*.Hα-helixtrans-73.6-23.4176.1-80.1-25.1000113.2D91 E92 L93 K133D91-D95 PolarHBondContact O-N 2.89Å; E92-D95 PolarHBondContact O-N 3.36Å; E92-D95 VanDerWaalsContact O-N 3.14Å; L93-D95 VanDerWaalsContact C-N 3.29Å; L93-D95 PolarHBondContact O-N 2.97Å; D95-K133 IonicContact OD1-NZ 3.13Å; D95-K133 PolarHBondContact OD1-NZ 2.83Å; D95-K133 IonicContact OD2-NZ 3.8Å; D95-K133 PolarHBondContact OD2-NZ 3.06Å
96M84.3Confident82.9Confident35 Ų3556.7 Ų56.717%0.17231%0.305CS..  trans-71134174.2-65-176.6-175.100110.9E92 L93 L94 E101 R102 R105E92-M96 HydrophobicContact CG-CE 4.1Å; E92-M96 PolarHBondContact O-N 3.27Å; E92-M96 WeakPolarHBondContact OE1-CE 3.22Å; L93-M96 PolarHBondContact O-N 3.47Å; L94-M96 VanDerWaalsContact C-N 3.33Å; M96-E101 HydrophobicContact SD-CB 4.05Å; M96-R102 HydrophobicContact CB-CG 3.69Å; M96-R102 HydrophobicContact CG-CG 4.45Å; M96-R102 VanDerWaalsContact O-CZ 3.27Å; M96-R102 PolarHBondContact O-NE 3.48Å; M96-R102 PolarHBondContact O-NH2 3.28Å; M96-R102 HydrophobicContact SD-CG 4.16Å; M96-R105 HydrophobicContact CE-CB 3.9Å; M96-R105 HydrophobicContact CE-CG 3.78Å; M96-R105 HydrophobicContact SD-CB 4.25Å
97P79.7Confident83.8Confident119 Ų11958.9 Ų58.977%0.77331%0.313SS*.SBendtrans-80.2-19.3-176.231.7-35.5000113.6
98S87Confident84.4Confident45 Ų4557.3 Ų57.332%0.31531%0.309SS..  trans-121.1135-173.9-175.80000112.1V100 E101 R102S98-V100 PolarHBondContact O-N 2.88Å; S98-V100 PolarHBondContact OG-N 3.32Å; S98-E101 PolarHBondContact O-N 2.85Å; S98-E101 VanDerWaalsContact O-N 3.16Å; S98-R102 WeakPolarHBondContact O-CG 3.27Å; S98-R102 PolarHBondContact O-N 3.48Å; S98-R102 VanDerWaalsContact O-N 3.13Å
99D87.4Confident84.4Confident38 Ų3858.2 Ų58.220%0.20331%0.314CS..Hα-helixtrans-65.4-23.3175.2-54.5-58.1000112.3R102 A103 L125 R129D99-R102 IonicContact OD1-CZ 3.83Å; D99-R102 IonicContact OD1-NH1 2.94Å; D99-R102 PolarHBondContact OD1-NH1 2.92Å; D99-A103 VanDerWaalsContact O-CB 3.23Å; D99-A103 WeakPolarHBondContact O-CB 3.44Å; D99-A103 PolarHBondContact O-N 3.25Å; D99-L125 HydrophobicContact CB-CD1 4.3Å; D99-L125 HydrophobicContact CB-CD2 4.49Å; D99-R129 IonicContact OD1-CZ 2.66Å; D99-R129 IonicContact OD1-NH1 2.9Å; D99-R129 IonicContact OD1-NH2 3.85Å; D99-R129 IonicContact OD2-CZ 3.65Å; D99-R129 IonicContact OD2-NH1 2.88Å; D99-R129 PolarHBondContact OD2-NH1 3.5Å; D99-R129 IonicContact OD2-NH2 2.84Å; D99-R129 PolarHBondContact OD2-NH2 3.02Å
100V88Confident84.2Confident112 Ų11254.8 Ų54.868%0.67930%0.296SS*.Hα-helixtrans-67.3-42174.3-178.90000111.1S98 A103 A104S98-V100 PolarHBondContact O-N 2.88Å; S98-V100 PolarHBondContact OG-N 3.32Å; V100-A103 PolarHBondContact O-N 3.44Å; V100-A104 WeakPolarHBondContact O-CB 3.09Å; V100-A104 PolarHBondContact O-N 2.75Å
101E89Confident83.7Confident104 Ų10459.5 Ų59.549%0.48632%0.324SS..Hα-helixtrans-69.9-41.6177.9-67178.2119.200110.6M96 S98 A103 A104 R105M96-E101 HydrophobicContact SD-CB 4.05Å; S98-E101 PolarHBondContact O-N 2.85Å; S98-E101 VanDerWaalsContact O-N 3.16Å; E101-A103 PolarHBondContact O-N 3.19Å; E101-A104 PolarHBondContact O-N 2.82Å; E101-R105 WeakPolarHBondContact O-CB 3.09Å; E101-R105 PolarHBondContact O-N 3.46Å
102R89.3Confident83Confident28 Ų2861.5 Ų61.511%0.10634%0.335CS..Hα-helixtrans-59-46.9173.8-64.5172.4-174.6177.4-12.2111.5L93 L94 M96 S98 D99 A104 R105 V106 L125L93-R102 HydrophobicContact CB-CG 4.4Å; L93-R102 HydrophobicContact CD2-CB 4.19Å; L93-R102 HydrophobicContact CD2-CG 4.48Å; L93-R102 VanDerWaalsContact O-CD 3.3Å; L93-R102 WeakPolarHBondContact O-CD 3.32Å; L93-R102 WeakPolarHBondContact O-CG 3.28Å; L93-R102 PolarHBondContact O-NE 3.38Å; L94-R102 PolarHBondContact O-NH2 3.43Å; M96-R102 HydrophobicContact CB-CG 3.69Å; M96-R102 HydrophobicContact CG-CG 4.45Å; M96-R102 VanDerWaalsContact O-CZ 3.27Å; M96-R102 PolarHBondContact O-NE 3.48Å; M96-R102 PolarHBondContact O-NH2 3.28Å; M96-R102 HydrophobicContact SD-CG 4.16Å; S98-R102 WeakPolarHBondContact O-CG 3.27Å; S98-R102 PolarHBondContact O-N 3.48Å; S98-R102 VanDerWaalsContact O-N 3.13Å; D99-R102 IonicContact OD1-CZ 3.83Å; D99-R102 IonicContact OD1-NH1 2.94Å; D99-R102 PolarHBondContact OD1-NH1 2.92Å; R102-A104 PolarHBondContact O-N 2.8Å; R102-R105 PolarHBondContact O-N 2.66Å; R102-V106 WeakPolarHBondContact O-CG2 3.49Å; R102-V106 PolarHBondContact O-N 2.82Å; R102-L125 HydrophobicContact CB-CD2 3.34Å; R102-L125 HydrophobicContact CG-CD2 4.25Å
103A86.9Confident82.2Confident18 Ų1859.2 Ų59.215%0.14933%0.326CS..Hα-helixtrans-59.4-47176.500000111.5D99 V100 E101 R105 V106 K107 I121 L125D99-A103 VanDerWaalsContact O-CB 3.23Å; D99-A103 WeakPolarHBondContact O-CB 3.44Å; D99-A103 PolarHBondContact O-N 3.25Å; V100-A103 PolarHBondContact O-N 3.44Å; E101-A103 PolarHBondContact O-N 3.19Å; A103-R105 VanDerWaalsContact C-N 3.32Å; A103-R105 PolarHBondContact O-N 3.13Å; A103-V106 PolarHBondContact O-N 3.1Å; A103-K107 WeakPolarHBondContact O-CG 3.43Å; A103-K107 PolarHBondContact O-N 2.95Å; A103-I121 HydrophobicContact CB-CG2 3.62Å; A103-L125 HydrophobicContact CB-CD1 4.03Å
104A88.4Confident81.2Confident47 Ų4769 Ų6939%0.38837%0.369SS..Hα-helixtrans-60.7-42.5178.800000111.4V100 E101 R102 V106 K107 D108V100-A104 WeakPolarHBondContact O-CB 3.09Å; V100-A104 PolarHBondContact O-N 2.75Å; E101-A104 PolarHBondContact O-N 2.82Å; R102-A104 PolarHBondContact O-N 2.8Å; A104-V106 PolarHBondContact O-N 2.87Å; A104-K107 WeakPolarHBondContact O-CB 3.28Å; A104-K107 PolarHBondContact O-N 3.05Å; A104-D108 PolarHBondContact O-N 2.9Å
105R86.7Confident80.7Confident96 Ų9671.4 Ų71.436%0.36238%0.378SS..Hα-helixtrans-62.1-42.9177.7-168.564172.7121.57.8112.6E92 L93 M96 E101 R102 A103 D108 L109E92-R105 IonicContact OE1-CZ 2.62Å; E92-R105 IonicContact OE1-NE 3.82Å; E92-R105 PolarHBondContact OE1-NE 3.27Å; E92-R105 IonicContact OE1-NH2 3.69Å; E92-R105 IonicContact OE2-NH2 2.8Å; L93-R105 HydrophobicContact CD2-CB 4.19Å; L93-R105 HydrophobicContact CD2-CG 4.33Å; M96-R105 HydrophobicContact CE-CB 3.9Å; M96-R105 HydrophobicContact CE-CG 3.78Å; M96-R105 HydrophobicContact SD-CB 4.25Å; E101-R105 WeakPolarHBondContact O-CB 3.09Å; E101-R105 PolarHBondContact O-N 3.46Å; R102-R105 PolarHBondContact O-N 2.66Å; A103-R105 VanDerWaalsContact C-N 3.32Å; A103-R105 PolarHBondContact O-N 3.13Å; R105-D108 PolarHBondContact O-N 3.06Å; R105-L109 WeakPolarHBondContact O-CD1 3.38Å; R105-L109 WeakPolarHBondContact O-CG 3.4Å; R105-L109 PolarHBondContact O-N 3.15Å; R105-L109 VanDerWaalsContact O-N 3.12Å
106V83.9Confident80.4Confident0 Ų071.3 Ų71.30%038%0.383CS..Hα-helixtrans-68.1-37.8175.8178.20000110.9L93 R102 A103 A104 L109 L110 F120 I121 L124L93-V106 HydrophobicContact CD1-CG2 3.86Å; L93-V106 HydrophobicContact CD2-CG2 3.95Å; R102-V106 WeakPolarHBondContact O-CG2 3.49Å; R102-V106 PolarHBondContact O-N 2.82Å; A103-V106 PolarHBondContact O-N 3.1Å; A104-V106 PolarHBondContact O-N 2.87Å; V106-L109 WeakPolarHBondContact O-CB 3.43Å; V106-L109 PolarHBondContact O-N 2.98Å; V106-L110 HydrophobicContact CG1-CD1 3.77Å; V106-L110 HydrophobicContact CG1-CG 4.39Å; V106-L110 VanDerWaalsContact O-CG 3.31Å; V106-L110 WeakPolarHBondContact O-CG 3.16Å; V106-L110 PolarHBondContact O-N 3.35Å; V106-F120 HydrophobicContact CG1-CD1 4.3Å; V106-F120 HydrophobicContact CG1-CE1 3.82Å; V106-I121 HydrophobicContact CB-CG1 4.3Å; V106-I121 HydrophobicContact CG1-CG1 3.78Å; V106-L124 HydrophobicContact CB-CD2 4.45Å; V106-L124 HydrophobicContact CG1-CD2 3.88Å; V106-L124 HydrophobicContact CG2-CD2 3.7Å
107K83.2Confident80.3Confident87 Ų8770.6 Ų70.638%0.37838%0.381SS..Hα-helixtrans-61.5-41.9173.1-75.2-176.5177.5-170.50112A103 A104 L109 L110 V111 E118 I121A103-K107 WeakPolarHBondContact O-CG 3.43Å; A103-K107 PolarHBondContact O-N 2.95Å; A104-K107 WeakPolarHBondContact O-CB 3.28Å; A104-K107 PolarHBondContact O-N 3.05Å; K107-L109 PolarHBondContact O-N 2.94Å; K107-L110 CarbonylContact O-C 3.49Å; K107-L110 PolarHBondContact O-N 3.34Å; K107-L110 VanDerWaalsContact O-N 3.13Å; K107-V111 WeakPolarHBondContact O-CG2 3.36Å; K107-V111 PolarHBondContact O-N 3.45Å; K107-E118 IonicContact NZ-OE1 3.17Å; K107-E118 PolarHBondContact NZ-OE1 3.38Å; K107-E118 VanDerWaalsContact NZ-OE1 3.17Å; K107-I121 HydrophobicContact CB-CD1 4.47Å; K107-I121 HydrophobicContact CD-CD1 3.95Å; K107-I121 HydrophobicContact CG-CD1 3.23Å; K107-I121 HydrophobicContact CG-CG1 4.45Å
108D83.6Confident80.5Confident111 Ų11170.9 Ų70.959%0.59437%0.372SS*.Hα-helixtrans-67.4-23.3176.1-83.1-18.1000113.3A104 R105 V111A104-D108 PolarHBondContact O-N 2.9Å; R105-D108 PolarHBondContact O-N 3.06Å; D108-V111 VanDerWaalsContact C-CG2 3.48Å; D108-V111 WeakPolarHBondContact O-CG2 2.98Å
109L79.4Confident80.4Confident37 Ų3774.1 Ų74.119%0.19439%0.386CS..Hα-helixtrans-78.3-36.6170.9-80.3158.8000110.7L86 R105 V106 K107 V111L86-L109 HydrophobicContact CD1-CB 3.79Å; L86-L109 HydrophobicContact CD1-CD2 3.54Å; L86-L109 HydrophobicContact CD1-CG 4.29Å; L86-L109 WeakPolarHBondContact CD1-O 3.29Å; L86-L109 HydrophobicContact CD2-CB 4.32Å; L86-L109 HydrophobicContact CG-CB 4.3Å; L86-L109 HydrophobicContact CG-CD2 4.25Å; R105-L109 WeakPolarHBondContact O-CD1 3.38Å; R105-L109 WeakPolarHBondContact O-CG 3.4Å; R105-L109 PolarHBondContact O-N 3.15Å; R105-L109 VanDerWaalsContact O-N 3.12Å; V106-L109 WeakPolarHBondContact O-CB 3.43Å; V106-L109 PolarHBondContact O-N 2.98Å; K107-L109 PolarHBondContact O-N 2.94Å; L109-V111 VanDerWaalsContact C-N 3.32Å; L109-V111 PolarHBondContact O-N 3.34Å
110L76.8Confident80.3Confident5 Ų572.5 Ų72.53%0.02638%0.377CS..SBendtrans-90.125.1-177.4-63.7169.7000114.4L72 Y76 L86 V106 K107 D112 C113 T117 F120 I121L72-L110 HydrophobicContact CD2-CD2 3.63Å; Y76-L110 HydrophobicContact CE2-CD2 4.47Å; L86-L110 HydrophobicContact CD2-CD2 3.76Å; V106-L110 HydrophobicContact CG1-CD1 3.77Å; V106-L110 HydrophobicContact CG1-CG 4.39Å; V106-L110 VanDerWaalsContact O-CG 3.31Å; V106-L110 WeakPolarHBondContact O-CG 3.16Å; V106-L110 PolarHBondContact O-N 3.35Å; K107-L110 CarbonylContact O-C 3.49Å; K107-L110 PolarHBondContact O-N 3.34Å; K107-L110 VanDerWaalsContact O-N 3.13Å; L110-D112 PolarHBondContact O-N 3.47Å; L110-C113 HydrophobicContact CB-CB 4.26Å; L110-C113 VanDerWaalsContact O-CB 3.23Å; L110-C113 WeakPolarHBondContact O-CB 3.35Å; L110-C113 PolarHBondContact O-N 2.94Å; L110-T117 HydrophobicContact CB-CG2 4.12Å; L110-T117 HydrophobicContact CD1-CG2 3.75Å; L110-T117 HydrophobicContact CG-CG2 4.45Å; L110-F120 HydrophobicContact CD1-CD1 3.58Å; L110-F120 HydrophobicContact CD1-CE1 3.72Å; L110-I121 HydrophobicContact CD1-CG1 4.42Å
111V70.2Confident80.3Confident100 Ų10067.4 Ų67.461%0.60635%0.346SS*.THydrogen-bonded Turntrans-64.7-26.6-171.4-178.30000112.5K107 D108 L109 C113K107-V111 WeakPolarHBondContact O-CG2 3.36Å; K107-V111 PolarHBondContact O-N 3.45Å; D108-V111 VanDerWaalsContact C-CG2 3.48Å; D108-V111 WeakPolarHBondContact O-CG2 2.98Å; L109-V111 VanDerWaalsContact C-N 3.32Å; L109-V111 PolarHBondContact O-N 3.34Å; V111-C113 VanDerWaalsContact C-N 3.29Å
112D64.8Low80.3Confident104 Ų10465.5 Ų65.556%0.55634%0.344SS*.THydrogen-bonded Turntrans-85.21176.5-62.6-54.9000113.3L110 F114L110-D112 PolarHBondContact O-N 3.47Å; D112-F114 WeakPolarHBondContact O-CD2 3.41Å
113C67.6Low80.2Confident18 Ų1868.5 Ų68.512%0.12236%0.359CS..  trans-87.3118.1179.2-155.10000110.9Y76 L110 V111 T117Y76-C113 HydrophobicContact CE1-CB 4.35Å; Y76-C113 HydrophobicContact CE2-CB 4.02Å; Y76-C113 WeakPolarHBondContact OH-CB 3.22Å; Y76-C113 PolarHBondContact OH-N 3.11Å; L110-C113 HydrophobicContact CB-CB 4.26Å; L110-C113 VanDerWaalsContact O-CB 3.23Å; L110-C113 WeakPolarHBondContact O-CB 3.35Å; L110-C113 PolarHBondContact O-N 2.94Å; V111-C113 VanDerWaalsContact C-N 3.29Å; C113-T117 HydrophobicContact CB-CG2 3.86Å
114F64.1Low80.3Confident209 Ų20967.6 Ų67.692%0.91735%0.352SS*.  trans-88.5-2.4179.1-67.3-86000113.9D112D112-F114 WeakPolarHBondContact O-CD2 3.41Å
115K71.9Confident80.2Confident82 Ų8266.2 Ų66.236%0.35734%0.338SS..SBendtrans-95.7159.5178.3-70.5-161.3-162.9174.70110.9D74 L75 D77 T117D74-K115 PolarHBondContact O-NZ 3.3Å; L75-K115 HydrophobicContact CD2-CB 3.73Å; L75-K115 WeakPolarHBondContact O-CD 3.43Å; L75-K115 WeakPolarHBondContact O-CE 3.11Å; L75-K115 WeakPolarHBondContact O-CG 3.3Å; D77-K115 IonicContact OD2-NZ 3.6Å; D77-K115 PolarHBondContact OD2-NZ 3.28Å; K115-T117 PolarHBondContact O-N 2.91Å; K115-T117 VanDerWaalsContact O-N 3.12Å
116P76.4Confident80.3Confident102 Ų10266.8 Ų66.866%0.66235%0.348SS*.  trans-63.2114.7175.425.7-34.2000110.8
117T81.9Confident80.3Confident21 Ų2170.7 Ų70.713%0.12937%0.365CS..  trans-94.9-2.3178.953.90000113.1L75 L110 C113 K115 D119 F120 I121L75-T117 HydrophobicContact CD2-CG2 4.19Å; L110-T117 HydrophobicContact CB-CG2 4.12Å; L110-T117 HydrophobicContact CD1-CG2 3.75Å; L110-T117 HydrophobicContact CG-CG2 4.45Å; C113-T117 HydrophobicContact CB-CG2 3.86Å; K115-T117 PolarHBondContact O-N 2.91Å; K115-T117 VanDerWaalsContact O-N 3.12Å; T117-D119 PolarHBondContact O-N 3.15Å; T117-F120 WeakPolarHBondContact O-CB 3.22Å; T117-F120 PolarHBondContact O-N 2.82Å; T117-I121 VanDerWaalsContact O-CD1 3.26Å; T117-I121 WeakPolarHBondContact O-CD1 3.4Å; T117-I121 WeakPolarHBondContact O-CG1 3.38Å; T117-I121 PolarHBondContact O-N 2.87Å
118E83.8Confident80.4Confident124 Ų12466.6 Ų66.658%0.57935%0.347SS*.Hα-helixtrans-62.9-40.2-174.6-60.6-154.911100112.9K107 I121 S122K107-E118 IonicContact NZ-OE1 3.17Å; K107-E118 PolarHBondContact NZ-OE1 3.38Å; K107-E118 VanDerWaalsContact NZ-OE1 3.17Å; E118-I121 PolarHBondContact O-N 2.97Å; E118-S122 WeakPolarHBondContact O-CB 3.29Å; E118-S122 PolarHBondContact O-N 3.34Å; E118-S122 PolarHBondContact O-OG 3.04Å
119D85.7Confident80.3Confident114 Ų11468.3 Ų68.361%0.6135%0.345SS*.Hα-helixtrans-64.6-46.7175.3-65.3-61.1000111T117 I121 S122 E123T117-D119 PolarHBondContact O-N 3.15Å; D119-I121 PolarHBondContact O-N 3.13Å; D119-S122 PolarHBondContact O-N 2.98Å; D119-E123 PolarHBondContact O-N 3.45Å
120F85.1Confident80.2Confident3 Ų368.6 Ų68.61%0.01336%0.358CS..Hα-helixtrans-56.7-47.4175.5170.3-101.3000112.2W67 I68 Q71 L75 I88 V106 L110 T117 S122 E123 L124W67-F120 AromaticContact CH2-CD2 3.73Å; W67-F120 HydrophobicContact CH2-CD2 3.73Å; W67-F120 AromaticContact CH2-CE2 3.82Å; W67-F120 HydrophobicContact CH2-CE2 3.82Å; W67-F120 HydrophobicContact CZ2-CD2 4.23Å; W67-F120 HydrophobicContact CZ3-CD2 4.22Å; W67-F120 AromaticContact CZ3-CE2 3.83Å; W67-F120 HydrophobicContact CZ3-CE2 3.83Å; I68-F120 HydrophobicContact CG1-CE2 4.46Å; I68-F120 HydrophobicContact CG1-CZ 4.43Å; I68-F120 HydrophobicContact CG2-CZ 4.34Å; Q71-F120 HydrophobicContact CB-CD2 3.52Å; Q71-F120 HydrophobicContact CB-CE2 3.74Å; Q71-F120 HydrophobicContact CG-CD2 3.96Å; Q71-F120 HydrophobicContact CG-CE2 4.35Å; L75-F120 HydrophobicContact CD1-CB 4Å; L75-F120 HydrophobicContact CD1-CD2 4.32Å; L75-F120 HydrophobicContact CD1-CG 4.07Å; I88-F120 HydrophobicContact CD1-CE1 4.28Å; I88-F120 HydrophobicContact CD1-CZ 4Å; V106-F120 HydrophobicContact CG1-CD1 4.3Å; V106-F120 HydrophobicContact CG1-CE1 3.82Å; L110-F120 HydrophobicContact CD1-CD1 3.58Å; L110-F120 HydrophobicContact CD1-CE1 3.72Å; T117-F120 WeakPolarHBondContact O-CB 3.22Å; T117-F120 PolarHBondContact O-N 2.82Å; F120-S122 VanDerWaalsContact C-N 3.35Å; F120-S122 PolarHBondContact O-N 2.74Å; F120-E123 PolarHBondContact O-N 3.03Å; F120-L124 HydrophobicContact CE1-CD2 3.98Å; F120-L124 HydrophobicContact CZ-CD2 4.06Å; F120-L124 WeakPolarHBondContact O-CB 3.44Å; F120-L124 PolarHBondContact O-N 2.81Å
121I87.1Confident80.3Confident5 Ų568.9 Ų68.93%0.02636%0.359CS..Hα-helixtrans-63.8-44180-66.6155.5000110.3A103 V106 K107 L110 T117 E118 D119 L124 L125A103-I121 HydrophobicContact CB-CG2 3.62Å; V106-I121 HydrophobicContact CB-CG1 4.3Å; V106-I121 HydrophobicContact CG1-CG1 3.78Å; K107-I121 HydrophobicContact CB-CD1 4.47Å; K107-I121 HydrophobicContact CD-CD1 3.95Å; K107-I121 HydrophobicContact CG-CD1 3.23Å; K107-I121 HydrophobicContact CG-CG1 4.45Å; L110-I121 HydrophobicContact CD1-CG1 4.42Å; T117-I121 VanDerWaalsContact O-CD1 3.26Å; T117-I121 WeakPolarHBondContact O-CD1 3.4Å; T117-I121 WeakPolarHBondContact O-CG1 3.38Å; T117-I121 PolarHBondContact O-N 2.87Å; E118-I121 PolarHBondContact O-N 2.97Å; D119-I121 PolarHBondContact O-N 3.13Å; I121-L124 PolarHBondContact O-N 3.36Å; I121-L125 HydrophobicContact CG2-CD1 3.91Å; I121-L125 HydrophobicContact CG2-CG 4.34Å; I121-L125 WeakPolarHBondContact O-CB 3.43Å; I121-L125 WeakPolarHBondContact O-CG 3.4Å; I121-L125 PolarHBondContact O-N 3.3Å
122S89Confident80.4Confident64 Ų6470.9 Ų70.945%0.44836%0.362SS..Hα-helixtrans-61.1-48179.3-55.60000111.3E118 D119 F120 L125 D126E118-S122 WeakPolarHBondContact O-CB 3.29Å; E118-S122 PolarHBondContact O-N 3.34Å; E118-S122 PolarHBondContact O-OG 3.04Å; D119-S122 PolarHBondContact O-N 2.98Å; F120-S122 VanDerWaalsContact C-N 3.35Å; F120-S122 PolarHBondContact O-N 2.74Å; S122-L125 PolarHBondContact O-N 3.12Å; S122-D126 PolarHBondContact O-N 3.49Å
123E88.6Confident80.7Confident91 Ų9170.2 Ų70.243%0.42535%0.354SS..Hα-helixtrans-65.3-39.8177-74.2-168.7-151.900112.5W67 D119 F120 L125 D126 K127W67-E123 HydrophobicContact CH2-CB 3.63Å; W67-E123 HydrophobicContact CZ2-CB 3.39Å; W67-E123 HydrophobicContact CZ2-CG 4.32Å; W67-E123 VanDerWaalsContact CZ2-OE2 3.28Å; W67-E123 WeakPolarHBondContact CZ2-OE2 3.45Å; D119-E123 PolarHBondContact O-N 3.45Å; F120-E123 PolarHBondContact O-N 3.03Å; E123-L125 VanDerWaalsContact C-N 3.34Å; E123-L125 PolarHBondContact O-N 3.18Å; E123-D126 PolarHBondContact O-N 3.2Å; E123-K127 WeakPolarHBondContact O-CG 3.44Å; E123-K127 PolarHBondContact O-N 2.86Å
124L87.6Confident80.6Confident0 Ų070.9 Ų70.90%036%0.356CS..Hα-helixtrans-60.9-46.1176.8175.459.8000110.2L64 W67 I68 I88 L93 V106 F120 I121 D126 K127 I128L64-L124 HydrophobicContact CD1-CD1 4.02Å; L64-L124 HydrophobicContact CD2-CD1 4.44Å; W67-L124 HydrophobicContact CH2-CB 3.92Å; W67-L124 HydrophobicContact CZ3-CB 3.86Å; W67-L124 HydrophobicContact CZ3-CD1 4.02Å; I68-L124 HydrophobicContact CD1-CD1 3.84Å; I68-L124 HydrophobicContact CG1-CD1 4.13Å; I88-L124 HydrophobicContact CD1-CD2 4.4Å; I88-L124 HydrophobicContact CG2-CD2 4.3Å; L93-L124 HydrophobicContact CD1-CD2 4.35Å; V106-L124 HydrophobicContact CB-CD2 4.45Å; V106-L124 HydrophobicContact CG1-CD2 3.88Å; V106-L124 HydrophobicContact CG2-CD2 3.7Å; F120-L124 HydrophobicContact CE1-CD2 3.98Å; F120-L124 HydrophobicContact CZ-CD2 4.06Å; F120-L124 WeakPolarHBondContact O-CB 3.44Å; F120-L124 PolarHBondContact O-N 2.81Å; I121-L124 PolarHBondContact O-N 3.36Å; L124-D126 PolarHBondContact O-N 2.83Å; L124-K127 PolarHBondContact O-N 3.01Å; L124-I128 HydrophobicContact CD1-CG2 4.06Å; L124-I128 WeakPolarHBondContact O-CG1 3.47Å; L124-I128 WeakPolarHBondContact O-CG2 3.21Å; L124-I128 PolarHBondContact O-N 3.35Å
125L86.8Confident80.3Confident18 Ų1865.3 Ų65.39%0.09434%0.343CS..Hα-helixtrans-60.2-44.1176.8-69.1171.6000111.9D99 R102 A103 I121 S122 E123 K127 I128 R129D99-L125 HydrophobicContact CB-CD1 4.3Å; D99-L125 HydrophobicContact CB-CD2 4.49Å; R102-L125 HydrophobicContact CB-CD2 3.34Å; R102-L125 HydrophobicContact CG-CD2 4.25Å; A103-L125 HydrophobicContact CB-CD1 4.03Å; I121-L125 HydrophobicContact CG2-CD1 3.91Å; I121-L125 HydrophobicContact CG2-CG 4.34Å; I121-L125 WeakPolarHBondContact O-CB 3.43Å; I121-L125 WeakPolarHBondContact O-CG 3.4Å; I121-L125 PolarHBondContact O-N 3.3Å; S122-L125 PolarHBondContact O-N 3.12Å; E123-L125 VanDerWaalsContact C-N 3.34Å; E123-L125 PolarHBondContact O-N 3.18Å; L125-K127 VanDerWaalsContact C-N 3.34Å; L125-K127 PolarHBondContact O-N 2.92Å; L125-I128 HydrophobicContact CD2-CD1 4.01Å; L125-I128 VanDerWaalsContact O-CG1 3.27Å; L125-I128 WeakPolarHBondContact O-CG1 3.29Å; L125-I128 PolarHBondContact O-N 3.01Å; L125-R129 WeakPolarHBondContact O-CG 3.43Å; L125-R129 PolarHBondContact O-N 2.93Å
126D89.1Confident79.2Confident108 Ų10864.6 Ų64.658%0.57835%0.346SS*.Hα-helixtrans-65.2-38177.6-82.1-24.8000112.5S122 E123 L124 R129S122-D126 PolarHBondContact O-N 3.49Å; E123-D126 PolarHBondContact O-N 3.2Å; L124-D126 PolarHBondContact O-N 2.83Å; D126-R129 IonicContact OD1-NE 2.99Å
127K84.7Confident77.7Confident82 Ų8263.8 Ų63.836%0.35734%0.34SS..Hα-helixtrans-67.2-44.2176-70.9-174.3-177.2-155.30112L64 W67 E123 L124 L125 G130 M131L64-K127 HydrophobicContact CD1-CB 3.6Å; L64-K127 HydrophobicContact CD1-CD 3.58Å; L64-K127 HydrophobicContact CD1-CG 4.22Å; W67-K127 HydrophobicContact CD2-CD 3.89Å; W67-K127 HydrophobicContact CE3-CD 3.78Å; W67-K127 HydrophobicContact CG-CD 4.42Å; W67-K127 HydrophobicContact CZ3-CD 4.14Å; E123-K127 WeakPolarHBondContact O-CG 3.44Å; E123-K127 PolarHBondContact O-N 2.86Å; L124-K127 PolarHBondContact O-N 3.01Å; L125-K127 VanDerWaalsContact C-N 3.34Å; L125-K127 PolarHBondContact O-N 2.92Å; K127-G130 PolarHBondContact O-N 3.33Å; K127-M131 WeakPolarHBondContact O-CG 3.39Å
128I83.9Confident76Confident0 Ų070.9 Ų70.90%037%0.372CS..Hα-helixtrans-72.3-27179.468.3179.4000112.7L64 V90 L93 L94 L124 L125 G130 M131L64-I128 HydrophobicContact CD2-CG2 3.81Å; V90-I128 HydrophobicContact CG1-CB 4.35Å; V90-I128 HydrophobicContact CG1-CG2 3.68Å; L93-I128 HydrophobicContact CB-CD1 3.79Å; L93-I128 HydrophobicContact CD1-CD1 4.07Å; L94-I128 HydrophobicContact CD2-CB 4.38Å; L94-I128 WeakPolarHBondContact CD2-O 3.43Å; L124-I128 HydrophobicContact CD1-CG2 4.06Å; L124-I128 WeakPolarHBondContact O-CG1 3.47Å; L124-I128 WeakPolarHBondContact O-CG2 3.21Å; L124-I128 PolarHBondContact O-N 3.35Å; L125-I128 HydrophobicContact CD2-CD1 4.01Å; L125-I128 VanDerWaalsContact O-CG1 3.27Å; L125-I128 WeakPolarHBondContact O-CG1 3.29Å; L125-I128 PolarHBondContact O-N 3.01Å; I128-G130 PolarHBondContact O-N 3.33Å; I128-M131 HydrophobicContact CG2-SD 4.35Å; I128-M131 WeakPolarHBondContact O-CB 3.42Å; I128-M131 PolarHBondContact O-N 3.09Å
129R82.1Confident73.9Confident147 Ų14774 Ų7456%0.55538%0.383SS*.Hα-helixtrans-55.6-34.6172.5-84.4-173.7-163.7-77.86112.6D99 L125 D126 M131D99-R129 IonicContact OD1-CZ 2.66Å; D99-R129 IonicContact OD1-NH1 2.9Å; D99-R129 IonicContact OD1-NH2 3.85Å; D99-R129 IonicContact OD2-CZ 3.65Å; D99-R129 IonicContact OD2-NH1 2.88Å; D99-R129 PolarHBondContact OD2-NH1 3.5Å; D99-R129 IonicContact OD2-NH2 2.84Å; D99-R129 PolarHBondContact OD2-NH2 3.02Å; L125-R129 WeakPolarHBondContact O-CG 3.43Å; L125-R129 PolarHBondContact O-N 2.93Å; D126-R129 IonicContact OD1-NE 2.99Å; R129-M131 VanDerWaalsContact C-N 3.33Å
130G77.1Confident71.6Confident44 Ų4481.7 Ų81.745%0.45441%0.412SS..THydrogen-bonded Turntrans-87.90.517900000114.5K60 K127 I128K60-G130 PolarHBondContact NZ-O 2.72Å; K127-G130 PolarHBondContact O-N 3.33Å; I128-G130 PolarHBondContact O-N 3.33Å
131M78.6Confident71Confident11 Ų1185.6 Ų85.65%0.05443%0.431CS..  trans-93.8149-179.3-69.6-178.584.800112E57 R61 L64 K127 I128 R129E57-M131 WeakPolarHBondContact OE1-CA 3.48Å; E57-M131 WeakPolarHBondContact OE1-CB 3.39Å; R61-M131 HydrophobicContact CB-CE 3.95Å; R61-M131 HydrophobicContact CG-CE 4.44Å; L64-M131 HydrophobicContact CB-SD 4.31Å; L64-M131 HydrophobicContact CD2-CE 4.11Å; L64-M131 HydrophobicContact CD2-SD 3.36Å; L64-M131 WeakPolarHBondContact CD2-SD 3.04Å; L64-M131 HydrophobicContact CG-SD 4.36Å; K127-M131 WeakPolarHBondContact O-CG 3.39Å; I128-M131 HydrophobicContact CG2-SD 4.35Å; I128-M131 WeakPolarHBondContact O-CB 3.42Å; I128-M131 PolarHBondContact O-N 3.09Å; R129-M131 VanDerWaalsContact C-N 3.33Å
132Q73.2Confident70.1Confident142 Ų14289.8 Ų89.866%0.66445%0.453SS*.  trans-104.8134.2172.7-71.3-69-74.900108.7E57 L134E57-Q132 HydrophobicContact CG-CB 4.3Å; E57-Q132 PolarHBondContact OE1-N 2.92Å; Q132-L134 PolarHBondContact O-N 2.91Å
133K70.6Confident69.1Low90 Ų9091.3 Ų91.339%0.39145%0.453SS..  trans-54.7118174.5-165.5175.6-170.8175.70108.4L94 D95 S135L94-K133 HydrophobicContact CD1-CB 4.27Å; D95-K133 IonicContact OD1-NZ 3.13Å; D95-K133 PolarHBondContact OD1-NZ 2.83Å; D95-K133 IonicContact OD2-NZ 3.8Å; D95-K133 PolarHBondContact OD2-NZ 3.06Å; K133-S135 PolarHBondContact O-N 3.06Å
134L65.4Low67.9Low32 Ų3291.3 Ų91.317%0.16846%0.455CS..  trans-74.280.3177.1-71.7177000106.9Y53 E57 L58 R61 Q132 T136Y53-L134 HydrophobicContact CD1-CB 3.76Å; Y53-L134 HydrophobicContact CD1-CD1 4.19Å; Y53-L134 HydrophobicContact CD1-CD2 3.78Å; Y53-L134 HydrophobicContact CD1-CG 4.11Å; Y53-L134 HydrophobicContact CE1-CB 3.77Å; Y53-L134 HydrophobicContact CE1-CD1 4.47Å; Y53-L134 HydrophobicContact CG-CD2 4.45Å; E57-L134 HydrophobicContact CB-CD2 4.05Å; E57-L134 HydrophobicContact CG-CD2 3.72Å; E57-L134 HydrophobicContact CG-CG 4.42Å; L58-L134 HydrophobicContact CD2-CD1 4.09Å; R61-L134 HydrophobicContact CB-CD1 4.47Å; R61-L134 HydrophobicContact CG-CD1 4.41Å; Q132-L134 PolarHBondContact O-N 2.91Å; L134-T136 PolarHBondContact O-N 3.47Å
135S56.9Low66.7Low91 Ų9197 Ų9764%0.63648%0.483SS*.  trans-58.8103.7-172.1-158.50000109.9V51 K133V51-S135 WeakPolarHBondContact CG1-O 3.1Å; K133-S135 PolarHBondContact O-N 3.06Å
136T50.5Low65.3Low68 Ų68102.3 Ų102.342%0.41751%0.509SS..  trans-68.4126.6160.455.90000106.2V51 L134 Q138V51-T136 HydrophobicContact CG1-CG2 4.46Å; V51-T136 HydrophobicContact CG2-CG2 4.29Å; L134-T136 PolarHBondContact O-N 3.47Å; T136-Q138 VanDerWaalsContact C-N 3.27Å; T136-Q138 PolarHBondContact O-N 3.42Å
137P44.3Very low63.6Low85 Ų85101.9 Ų101.955%0.55250%0.504SS*.  trans-67.895.5173.328.2-29.6000106.4V51 K139V51-P137 VanDerWaalsContact CG2-CD 3.43Å; V51-P137 HydrophobicContact CG2-CG 4.26Å; P137-K139 PolarHBondContact O-N 3.42Å
138Q46.4Very low62Low169 Ų169103.4 Ų103.479%0.7952%0.516SS*.  trans-59.9111.9167.3-66.2-165.619.500106.7T136 K140T136-Q138 VanDerWaalsContact C-N 3.27Å; T136-Q138 PolarHBondContact O-N 3.42Å; Q138-K140 PolarHBondContact O-N 3.47Å; Q138-K140 VanDerWaalsContact O-N 3.15Å
139K39.3Very low60.2Low189 Ų189112 Ų11282%0.82256%0.558SS**  trans-58.4118.4171.3-88.9-175.8171.1175.60107.8P137P137-K139 PolarHBondContact O-N 3.42Å
140K37.8Very low58.2Low276 Ų276108.8 Ų108.8100%1.256%0.559SS**  trans-66.70161.7-70.9-177.2174.9-178.40110.8Q138Q138-K140 PolarHBondContact O-N 3.47Å; Q138-K140 VanDerWaalsContact O-N 3.15Å

Retrieved 140 of 140 residues in 37.2 ms (Link to these results)