A0A087XG83_POEFO Loading...

COP9 signalosome complex subunit 2

AlphaFold DB (A0A3Q3DQ86), UniProt , Accession A0A087XG83, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 443 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
1M28.2Very low30.4Very low230 Ų230167.7 Ų167.7100%1.13388%0.877SS**  081.80-69.9176.7167.200104.5
2S31.6Very low30.7Very low104 Ų104164.6 Ų164.673%0.72786%0.862SS**  77.77578.266.40000111.6
3D27.2Very low31.1Very low172 Ų172166.3 Ų166.392%0.9286%0.863SS**  trans-128.161.8163.6-72.2-29.9000107.7
4M29.7Very low31.5Very low180 Ų180164.8 Ų164.889%0.88785%0.849SS**  trans-13463.8179.6-167.8167.9-164.600108.1
5E30.9Very low31.6Very low192 Ų192163.6 Ų163.690%0.89785%0.845SS**  trans-171.167.9177.9-112.3169.9-14500109.3
6D29.6Very low31.9Very low162 Ų162167.5 Ų167.587%0.86685%0.848SS**  trans-167.860157-133.11.8000114.6
7D27.1Very low32Very low163 Ų163164.8 Ų164.887%0.87284%0.836SS**  trans-146.829.5167-129.60.9000113M9D7-M9 PolarHBondContact O-N 2.86Å
8F34.2Very low32.1Very low205 Ų205162 Ų16290%0.89982%0.823SS**  trans-100.755.5-179-117.1-86.2000111.5
9M34.6Very low32Very low169 Ų169162.1 Ų162.183%0.83382%0.82SS**  trans-140.371.1169.1-68.5-64.6-172.500109.8D7D7-M9 PolarHBondContact O-N 2.86Å
10C30.1Very low32.2Very low126 Ų126163.6 Ų163.685%0.85182%0.817SS**  trans-95.896.2150.2-79.90000106.7D12C10-D12 PolarHBondContact O-N 3.06Å; C10-D12 VanDerWaalsContact O-N 3.15Å
11D30.8Very low32.2Very low142 Ų142161.1 Ų161.176%0.75982%0.815SS**  trans-48.2112.5159.8-85.2-41.2000108.9E13D11-E13 PolarHBondContact O-N 3.05Å
12D34Very low32.5Very low130 Ų130159 Ų15970%0.69580%0.802SS**  trans-71.983.9157.9-81.2-26.5000106.4C10 E14C10-D12 PolarHBondContact O-N 3.06Å; C10-D12 VanDerWaalsContact O-N 3.15Å; D12-E14 PolarHBondContact O-N 3.47Å
13E37Very low32.8Very low187 Ų187161.8 Ų161.887%0.87481%0.809SS**  trans-61.179.2152.9-79.5-174.1157.300108.1D11D11-E13 PolarHBondContact O-N 3.05Å
14E36.7Very low32.9Very low145 Ų145158.4 Ų158.468%0.67880%0.799SS**  trans-11496.6164-80.5-168.3162.700108.7D12D12-E14 PolarHBondContact O-N 3.47Å
15D31.9Very low33.4Very low147 Ų147158.4 Ų158.479%0.78680%0.802SS**  trans35102.7153.3-72.4-33.6000117.7D17D15-D17 HydrophobicContact CB-CB 4.39Å; D15-D17 PolarHBondContact O-N 2.78Å
16Y36.7Very low33.7Very low226 Ų226152.3 Ų152.389%0.88678%0.781SS**  trans-65.472146.1-97.4-91.9000108.9L18Y16-L18 HydrophobicContact CD1-CD1 4.37Å; Y16-L18 PolarHBondContact O-N 3.42Å
17D34.4Very low34.3Very low122 Ų122153 Ų15365%0.65278%0.779SS**  trans-80.480167.8-145.36.4000107.6D15 E19D15-D17 HydrophobicContact CB-CB 4.39Å; D15-D17 PolarHBondContact O-N 2.78Å; D17-E19 PolarHBondContact O-N 2.89Å
18L32.8Very low35.3Very low114 Ų114149.5 Ų149.560%0.59777%0.765SS**  trans-69.472.8164.7-83.9158.7000107.8Y16 Y20Y16-L18 HydrophobicContact CD1-CD1 4.37Å; Y16-L18 PolarHBondContact O-N 3.42Å; L18-Y20 HydrophobicContact CB-CD2 4.32Å; L18-Y20 HydrophobicContact CB-CE2 4.11Å; L18-Y20 HydrophobicContact CD2-CE2 4.37Å; L18-Y20 PolarHBondContact O-N 2.84Å
19E31.5Very low36.4Very low164 Ų164143.5 Ų143.577%0.76674%0.742SS**  trans-67.191.1161.4-84-168.2158.300107.3D17 S21D17-E19 PolarHBondContact O-N 2.89Å; E19-S21 VanDerWaalsContact C-N 3.28Å; E19-S21 PolarHBondContact O-N 3.08Å
20Y35.1Very low37.5Very low192 Ų192139.3 Ų139.375%0.75373%0.726SS**  trans-62.196.8161.1-76.6-88.9000107.2L18 E22L18-Y20 HydrophobicContact CB-CD2 4.32Å; L18-Y20 HydrophobicContact CB-CE2 4.11Å; L18-Y20 HydrophobicContact CD2-CE2 4.37Å; L18-Y20 PolarHBondContact O-N 2.84Å; Y20-E22 VanDerWaalsContact C-N 3.3Å; Y20-E22 PolarHBondContact O-N 2.96Å
21S32.5Very low39.1Very low112 Ų112138.9 Ų138.978%0.78372%0.715SS**  trans-67.492.9167.258.60000108.1E19 D23E19-S21 VanDerWaalsContact C-N 3.28Å; E19-S21 PolarHBondContact O-N 3.08Å; S21-D23 PolarHBondContact O-N 3.43Å
22E34Very low40.7Very low184 Ų184133.1 Ų133.186%0.8669%0.685SS**  trans-62.5120.4166.3-74.8-17316500108.9Y20Y20-E22 VanDerWaalsContact C-N 3.3Å; Y20-E22 PolarHBondContact O-N 2.96Å
23D37.7Very low42.3Very low164 Ų164130.2 Ų130.288%0.87767%0.667SS**  trans58.884.6164.6-69.3-25.3000118.9S21S21-D23 PolarHBondContact O-N 3.43Å
24S29.2Very low43.8Very low100 Ų100125.3 Ų125.370%0.69965%0.647SS**  -148120.4129.985.10000111.6S26S24-S26 PolarHBondContact O-N 3.22Å
25N40.1Very low45.4Very low180 Ų180121 Ų12196%0.96363%0.627SS**  trans-57.597.2173.7-87.8-37.2000111.5
26S36.9Very low47.5Very low65 Ų65114.8 Ų114.846%0.45559%0.592SS.*  trans-144.993.6161.5460000109.8S24 P28S24-S26 PolarHBondContact O-N 3.22Å; S26-P28 VanDerWaalsContact C-N 3.29Å; S26-P28 VanDerWaalsContact O-CD 3.23Å; S26-P28 WeakPolarHBondContact O-CD 3.38Å
27E42.5Very low49.3Very low176 Ų176109.7 Ų109.782%0.82257%0.572SS**THydrogen-bonded Turntrans-53.7-15.9173.9-68.8177.515300117.4N29E27-N29 VanDerWaalsContact C-N 3.26Å; E27-N29 PolarHBondContact O-N 2.92Å
28P49.5Very low51.2Low90 Ų90109 Ų10958%0.58457%0.568SS**Hα-helixtrans-68.8-14.2177.8-20.232.4000116.1S26S26-P28 VanDerWaalsContact C-N 3.29Å; S26-P28 VanDerWaalsContact O-CD 3.23Å; S26-P28 WeakPolarHBondContact O-CD 3.38Å
29N55.9Low53.1Low78 Ų78103.6 Ų103.642%0.41754%0.54SS..Hα-helixtrans-80-30-169.4-136.9-12.8000112.9E27 E33 W67E27-N29 VanDerWaalsContact C-N 3.26Å; E27-N29 PolarHBondContact O-N 2.92Å; N29-E33 VanDerWaalsContact O-CB 3.3Å; N29-E33 WeakPolarHBondContact O-CB 3.36Å; N29-E33 PolarHBondContact O-N 3.49Å; N29-E33 VanDerWaalsContact O-N 3.09Å; N29-W67 VanDerWaalsContact OD1-CD1 3.29Å; N29-W67 PolarHBondContact OD1-NE1 3.02Å
30V58.6Low55.1Low81 Ų81100.6 Ų100.649%0.49153%0.525SS..Hα-helixtrans-72.6-37.3-173.6-179.10000112.2N34V30-N34 VanDerWaalsContact O-CB 3.31Å; V30-N34 WeakPolarHBondContact O-CB 3.37Å; V30-N34 PolarHBondContact O-N 2.98Å; V30-N34 PolarHBondContact O-ND2 2.98Å; V30-N34 VanDerWaalsContact O-ND2 3.1Å
31D62.6Low57Low117 Ų11794.6 Ų94.663%0.62652%0.515SS*.Hα-helixtrans-71.9-37179.7-73.3-26.1000112.3Q35D31-Q35 WeakPolarHBondContact O-CB 3.35Å; D31-Q35 PolarHBondContact O-N 3.38Å; D31-Q35 VanDerWaalsContact O-N 3.07Å
32L65.8Low59Low22 Ų2292 Ų9212%0.11549%0.492CS..Hα-helixtrans-67.5-42.5175-71.4169.8000111.4Q35 Y36 V57 L60 E61L32-Q35 PolarHBondContact O-N 3.28Å; L32-Y36 WeakPolarHBondContact O-CB 3.44Å; L32-Y36 PolarHBondContact O-N 3.38Å; L32-V57 HydrophobicContact CD2-CG1 4.34Å; L32-L60 HydrophobicContact CD2-CB 3.65Å; L32-E61 HydrophobicContact CD1-CG 4.4Å; L32-E61 HydrophobicContact CD2-CB 4.41Å
33E66.4Low60.8Low68 Ų6885.7 Ų85.732%0.31846%0.462SS..Hα-helixtrans-64.2-48.9177.3-178.4167.2-156.100111.8N29 Q35 Y36 Y37 W67N29-E33 VanDerWaalsContact O-CB 3.3Å; N29-E33 WeakPolarHBondContact O-CB 3.36Å; N29-E33 PolarHBondContact O-N 3.49Å; N29-E33 VanDerWaalsContact O-N 3.09Å; E33-Q35 VanDerWaalsContact C-N 3.31Å; E33-Q35 PolarHBondContact O-N 3.05Å; E33-Y36 PolarHBondContact O-N 3.42Å; E33-Y37 HydrophobicContact CG-CD2 3.7Å; E33-Y37 HydrophobicContact CG-CE2 3.41Å; E33-Y37 VanDerWaalsContact CG-CE2 3.41Å; E33-Y37 WeakPolarHBondContact O-CD2 3.46Å; E33-Y37 PolarHBondContact O-N 2.89Å; E33-Y37 WeakPolarHBondContact OE1-CE2 3.34Å; E33-W67 HydrophobicContact CB-CH2 4.13Å; E33-W67 HydrophobicContact CB-CZ2 3.86Å; E33-W67 HydrophobicContact CG-CH2 3.61Å; E33-W67 HydrophobicContact CG-CZ2 3.71Å; E33-W67 HydrophobicContact CG-CZ3 4.34Å
34N68.5Low62.4Low85 Ų8584.6 Ų84.646%0.45545%0.451SS..Hα-helixtrans-59.5-41.6177-76.9-31.3000111.9V30 N38V30-N34 VanDerWaalsContact O-CB 3.31Å; V30-N34 WeakPolarHBondContact O-CB 3.37Å; V30-N34 PolarHBondContact O-N 2.98Å; V30-N34 PolarHBondContact O-ND2 2.98Å; V30-N34 VanDerWaalsContact O-ND2 3.1Å; N34-N38 WeakPolarHBondContact O-CB 3.43Å; N34-N38 PolarHBondContact O-N 3.16Å; N34-N38 PolarHBondContact O-ND2 3.42Å
35Q70.6Confident64.5Low55 Ų5585.9 Ų85.926%0.25745%0.45SS..Hα-helixtrans-71.9-32.6178.9-161.617865.300112.5D31 L32 E33 S39 V57D31-Q35 WeakPolarHBondContact O-CB 3.35Å; D31-Q35 PolarHBondContact O-N 3.38Å; D31-Q35 VanDerWaalsContact O-N 3.07Å; L32-Q35 PolarHBondContact O-N 3.28Å; E33-Q35 VanDerWaalsContact C-N 3.31Å; E33-Q35 PolarHBondContact O-N 3.05Å; Q35-S39 WeakPolarHBondContact O-CB 3.46Å; Q35-S39 PolarHBondContact O-N 3.39Å; Q35-S39 PolarHBondContact O-OG 2.89Å; Q35-V57 HydrophobicContact CB-CG2 4.05Å; Q35-V57 HydrophobicContact CG-CG2 3.89Å
36Y76.9Confident66.4Low16 Ų1682.1 Ų82.16%0.06343%0.43CS..Hα-helixtrans-65-47.4173.2176.3-96.7000112.1L32 E33 S39 K40 F54 W67 K70 A71 Q74L32-Y36 WeakPolarHBondContact O-CB 3.44Å; L32-Y36 PolarHBondContact O-N 3.38Å; E33-Y36 PolarHBondContact O-N 3.42Å; Y36-S39 WeakPolarHBondContact O-CB 3.38Å; Y36-S39 PolarHBondContact O-N 2.9Å; Y36-K40 PolarHBondContact O-N 3.21Å; Y36-F54 HydrophobicContact CD2-CD1 4.15Å; Y36-F54 AromaticContact CD2-CE1 3.72Å; Y36-F54 HydrophobicContact CD2-CE1 3.72Å; Y36-F54 HydrophobicContact CE2-CD1 4.38Å; Y36-F54 AromaticContact CE2-CE1 3.76Å; Y36-F54 HydrophobicContact CE2-CE1 3.76Å; Y36-W67 AromaticContact CD1-CE3 3.92Å; Y36-W67 HydrophobicContact CD1-CE3 3.92Å; Y36-W67 AromaticContact CD1-CZ3 3.62Å; Y36-W67 HydrophobicContact CD1-CZ3 3.62Å; Y36-W67 HydrophobicContact CD2-CE3 4.49Å; Y36-W67 HydrophobicContact CE1-CE3 4.48Å; Y36-W67 HydrophobicContact CE1-CZ3 4.09Å; Y36-W67 AromaticContact CG-CE3 3.92Å; Y36-W67 HydrophobicContact CG-CE3 3.92Å; Y36-W67 HydrophobicContact CG-CZ3 4.1Å; Y36-K70 HydrophobicContact CD2-CB 4.49Å; Y36-K70 HydrophobicContact CE2-CB 3.74Å; Y36-A71 HydrophobicContact CD2-CB 4.23Å; Y36-A71 HydrophobicContact CE2-CB 4.41Å; Y36-Q74 HydrophobicContact CE2-CG 4.43Å
37Y72.9Confident68.4Low118 Ų11881 Ų8146%0.46342%0.422SS..Hα-helixtrans-67.1-38.3178.5-74.2-64.9000112.7E33 S39 K40 A41 W67E33-Y37 HydrophobicContact CG-CD2 3.7Å; E33-Y37 HydrophobicContact CG-CE2 3.41Å; E33-Y37 VanDerWaalsContact CG-CE2 3.41Å; E33-Y37 WeakPolarHBondContact O-CD2 3.46Å; E33-Y37 PolarHBondContact O-N 2.89Å; E33-Y37 WeakPolarHBondContact OE1-CE2 3.34Å; Y37-S39 VanDerWaalsContact C-N 3.31Å; Y37-S39 PolarHBondContact O-N 2.93Å; Y37-K40 PolarHBondContact O-N 2.99Å; Y37-A41 PolarHBondContact O-N 3.37Å; Y37-W67 HydrophobicContact CE2-CH2 4.25Å
38N74.2Confident70.2Confident107 Ų10780.5 Ų80.557%0.57242%0.417SS*.Hα-helixtrans-59.8-42.8171.7-74.9-29.5000111.5N34 K40 A41 L42N34-N38 WeakPolarHBondContact O-CB 3.43Å; N34-N38 PolarHBondContact O-N 3.16Å; N34-N38 PolarHBondContact O-ND2 3.42Å; N38-K40 VanDerWaalsContact C-N 3.31Å; N38-K40 PolarHBondContact O-N 3.43Å; N38-A41 PolarHBondContact O-N 3.02Å; N38-L42 WeakPolarHBondContact O-CD1 3.48Å; N38-L42 WeakPolarHBondContact O-CG 3.11Å; N38-L42 PolarHBondContact O-N 2.81Å
39S74.4Confident71.6Confident1 Ų177.9 Ų77.91%0.00740%0.403CS..Hα-helixtrans-67-32176.6-56.70000112.7Q35 Y36 Y37 S53 F54Q35-S39 WeakPolarHBondContact O-CB 3.46Å; Q35-S39 PolarHBondContact O-N 3.39Å; Q35-S39 PolarHBondContact O-OG 2.89Å; Y36-S39 WeakPolarHBondContact O-CB 3.38Å; Y36-S39 PolarHBondContact O-N 2.9Å; Y37-S39 VanDerWaalsContact C-N 3.31Å; Y37-S39 PolarHBondContact O-N 2.93Å; S39-S53 WeakPolarHBondContact OG-CB 3.33Å; S39-F54 VanDerWaalsContact C-CZ 3.45Å; S39-F54 WeakPolarHBondContact O-CE2 3.5Å; S39-F54 WeakPolarHBondContact O-CZ 3.33Å
40K73.4Confident72.9Confident101 Ų10174.2 Ų74.244%0.43938%0.383SS..Hα-helixtrans-71.1-39.2176.1-168.7-178.9178.3-170.60111.8Y36 Y37 N38 L42 K43 F54Y36-K40 PolarHBondContact O-N 3.21Å; Y37-K40 PolarHBondContact O-N 2.99Å; N38-K40 VanDerWaalsContact C-N 3.31Å; N38-K40 PolarHBondContact O-N 3.43Å; K40-L42 VanDerWaalsContact C-N 3.31Å; K40-L42 PolarHBondContact O-N 3.44Å; K40-K43 WeakPolarHBondContact O-CB 3.39Å; K40-K43 PolarHBondContact O-N 3Å; K40-F54 HydrophobicContact CB-CZ 4.35Å
41A73.9Confident74Confident66 Ų6671.7 Ų71.755%0.54537%0.367SS..Hα-helixtrans-62-40.717400000111.6Y37 N38 K43Y37-A41 PolarHBondContact O-N 3.37Å; N38-A41 PolarHBondContact O-N 3.02Å; A41-K43 PolarHBondContact O-N 3.1Å; A41-K43 VanDerWaalsContact O-N 3.08Å
42L75.8Confident74.9Confident58 Ų5869 Ų6930%0.30436%0.357SS..Hα-helixtrans-64.7-10.2176.4-77.7155.3000114.6N38 K40 D46 A50N38-L42 WeakPolarHBondContact O-CD1 3.48Å; N38-L42 WeakPolarHBondContact O-CG 3.11Å; N38-L42 PolarHBondContact O-N 2.81Å; K40-L42 VanDerWaalsContact C-N 3.31Å; K40-L42 PolarHBondContact O-N 3.44Å; L42-D46 CarbonylContact O-C 3.4Å; L42-D46 PolarHBondContact O-N 2.82Å; L42-A50 HydrophobicContact CB-CB 4.16Å
43K71.9Confident75.6Confident52 Ų5269 Ų6923%0.22636%0.359CS..Hα-helixtrans-66.2-36.6-177.6-177.1179.8171.4-171.60112.9K40 A41 I78K40-K43 WeakPolarHBondContact O-CB 3.39Å; K40-K43 PolarHBondContact O-N 3Å; A41-K43 PolarHBondContact O-N 3.1Å; A41-K43 VanDerWaalsContact O-N 3.08Å; K43-I78 HydrophobicContact CD-CD1 4.32Å; K43-I78 HydrophobicContact CD-CG1 4.28Å; K43-I78 HydrophobicContact CG-CD1 3.96Å; K43-I78 HydrophobicContact CG-CG1 4Å
44E70.4Confident76.3Confident141 Ų14165.8 Ų65.866%0.65934%0.344SS*.Hα-helixtrans-80.8-33-179.3-62.2-53.3135.700111.6
45D73.1Confident77Confident127 Ų12763.9 Ų63.968%0.67933%0.332SS*.Hα-helixtrans-83.6-52.1-177.3-64.1-35.4000113.1
46D80.8Confident77.5Confident100 Ų10066.6 Ų66.654%0.53534%0.343SS..  trans-144.791.5-173.4-93.7-44.3000112.2L42 K48 A49 A50L42-D46 CarbonylContact O-C 3.4Å; L42-D46 PolarHBondContact O-N 2.82Å; D46-K48 PolarHBondContact O-N 2.88Å; D46-K48 VanDerWaalsContact O-N 3.11Å; D46-A49 HydrophobicContact CB-CB 3.84Å; D46-A49 PolarHBondContact O-N 3.11Å; D46-A50 PolarHBondContact O-N 3.24Å
47P78.6Confident77.6Confident43 Ų4365.8 Ų65.828%0.27934%0.34SS..Hα-helixtrans-64.1-26-172.924.5-34.8000113.4L51 I78 L82P47-L51 WeakPolarHBondContact O-CG 3.49Å; P47-L51 PolarHBondContact O-N 3.02Å; P47-I78 HydrophobicContact CB-CG2 3.74Å; P47-L82 HydrophobicContact CB-CD1 4.11Å; P47-L82 HydrophobicContact CB-CD2 4.2Å; P47-L82 HydrophobicContact CB-CG 4.33Å; P47-L82 HydrophobicContact CG-CD1 4.5Å; P47-L82 HydrophobicContact CG-CD2 3.88Å
48K80.3Confident77.8Confident164 Ų16461.5 Ų61.571%0.71333%0.325SS*.Hα-helixtrans-75.5-36.3174.9-68.4-178.7-178.1174.80112.8D46 L51 S52 L82D46-K48 PolarHBondContact O-N 2.88Å; D46-K48 VanDerWaalsContact O-N 3.11Å; K48-L51 PolarHBondContact O-N 3.27Å; K48-S52 PolarHBondContact O-N 2.94Å; K48-L82 HydrophobicContact CG-CD1 4.35Å
49A79.5Confident78.1Confident36 Ų3662.9 Ų62.930%0.29833%0.328SS..Hα-helixtrans-74.7-32.6175.900000111.4D46 S52 S53D46-A49 HydrophobicContact CB-CB 3.84Å; D46-A49 PolarHBondContact O-N 3.11Å; A49-S52 PolarHBondContact O-N 3.05Å; A49-S52 PolarHBondContact O-OG 3.24Å; A49-S53 WeakPolarHBondContact O-CB 3.44Å; A49-S53 PolarHBondContact O-N 3.47Å; A49-S53 PolarHBondContact O-OG 3.2Å
50A81.6Confident78Confident0 Ų067.8 Ų67.80%035%0.354CS..Hα-helixtrans-60.2-43.8170.700000111.4L42 D46 S52 S53 F54 I78L42-A50 HydrophobicContact CB-CB 4.16Å; D46-A50 PolarHBondContact O-N 3.24Å; A50-S52 PolarHBondContact O-N 2.62Å; A50-S53 PolarHBondContact O-N 3.08Å; A50-S53 VanDerWaalsContact O-N 3.16Å; A50-F54 HydrophobicContact CB-CD2 4.37Å; A50-F54 HydrophobicContact CB-CE2 4.19Å; A50-F54 WeakPolarHBondContact O-CD2 3.43Å; A50-F54 PolarHBondContact O-N 3.47Å; A50-I78 HydrophobicContact CB-CD1 4.12Å
51L81.7Confident77.8Confident28 Ų2864 Ų6415%0.14734%0.337CS..Hα-helixtrans-59.8-42.8177.6-73.9170.5000113.1P47 K48 S53 Q55 M75 I78 N79 L82P47-L51 WeakPolarHBondContact O-CG 3.49Å; P47-L51 PolarHBondContact O-N 3.02Å; K48-L51 PolarHBondContact O-N 3.27Å; L51-S53 VanDerWaalsContact C-N 3.3Å; L51-Q55 WeakPolarHBondContact O-CB 3.3Å; L51-Q55 PolarHBondContact O-N 3.47Å; L51-M75 HydrophobicContact CD2-CB 3.87Å; L51-M75 HydrophobicContact CD2-CE 4.26Å; L51-M75 HydrophobicContact CD2-CG 3.97Å; L51-I78 HydrophobicContact CD1-CG2 4.19Å; L51-I78 HydrophobicContact CD2-CB 4.2Å; L51-I78 HydrophobicContact CD2-CG2 4.09Å; L51-I78 HydrophobicContact CG-CG2 3.94Å; L51-N79 VanDerWaalsContact CD1-OD1 3.31Å; L51-N79 WeakPolarHBondContact CD1-OD1 3.43Å; L51-L82 HydrophobicContact CD1-CD1 4.04Å
52S81.4Confident77.2Confident61 Ų6164.7 Ų64.743%0.42735%0.351SS..Hα-helixtrans-70.6-29.2177.5650000112.2K48 A49 A50 K56K48-S52 PolarHBondContact O-N 2.94Å; A49-S52 PolarHBondContact O-N 3.05Å; A49-S52 PolarHBondContact O-OG 3.24Å; A50-S52 PolarHBondContact O-N 2.62Å; S52-K56 WeakPolarHBondContact O-CG 3.33Å; S52-K56 PolarHBondContact O-N 3.26Å
53S80.6Confident76.8Confident22 Ų2270.2 Ų70.215%0.15438%0.375CS..Hα-helixtrans-74.1-43.1175.9-54.50000111.7S39 A49 A50 L51 Q55 K56 V57S39-S53 WeakPolarHBondContact OG-CB 3.33Å; A49-S53 WeakPolarHBondContact O-CB 3.44Å; A49-S53 PolarHBondContact O-N 3.47Å; A49-S53 PolarHBondContact O-OG 3.2Å; A50-S53 PolarHBondContact O-N 3.08Å; A50-S53 VanDerWaalsContact O-N 3.16Å; L51-S53 VanDerWaalsContact C-N 3.3Å; S53-Q55 VanDerWaalsContact C-N 3.28Å; S53-Q55 PolarHBondContact O-N 2.97Å; S53-K56 WeakPolarHBondContact O-CB 3.47Å; S53-K56 PolarHBondContact O-N 2.99Å; S53-K56 VanDerWaalsContact O-N 3.14Å; S53-V57 PolarHBondContact O-N 3.34Å
54F82.6Confident76.8Confident0 Ų072.3 Ų72.30%038%0.384CS..Hα-helixtrans-64.2-31.9171.4-73.8-59.2000112.9Y36 S39 K40 A50 K56 V57 L58 A71 Q74 M75 I78Y36-F54 HydrophobicContact CD2-CD1 4.15Å; Y36-F54 AromaticContact CD2-CE1 3.72Å; Y36-F54 HydrophobicContact CD2-CE1 3.72Å; Y36-F54 HydrophobicContact CE2-CD1 4.38Å; Y36-F54 AromaticContact CE2-CE1 3.76Å; Y36-F54 HydrophobicContact CE2-CE1 3.76Å; S39-F54 VanDerWaalsContact C-CZ 3.45Å; S39-F54 WeakPolarHBondContact O-CE2 3.5Å; S39-F54 WeakPolarHBondContact O-CZ 3.33Å; K40-F54 HydrophobicContact CB-CZ 4.35Å; A50-F54 HydrophobicContact CB-CD2 4.37Å; A50-F54 HydrophobicContact CB-CE2 4.19Å; A50-F54 WeakPolarHBondContact O-CD2 3.43Å; A50-F54 PolarHBondContact O-N 3.47Å; F54-K56 VanDerWaalsContact C-N 3.33Å; F54-V57 WeakPolarHBondContact O-CB 3.4Å; F54-V57 PolarHBondContact O-N 2.72Å; F54-L58 PolarHBondContact O-N 3.12Å; F54-A71 HydrophobicContact CB-CB 4.39Å; F54-A71 HydrophobicContact CD1-CB 3.89Å; F54-Q74 HydrophobicContact CE1-CB 4.29Å; F54-Q74 HydrophobicContact CE2-CB 4.09Å; F54-Q74 HydrophobicContact CZ-CB 3.9Å; F54-Q74 HydrophobicContact CZ-CG 4.34Å; F54-M75 HydrophobicContact CB-CG 3.48Å; F54-M75 VanDerWaalsContact CB-CG 3.48Å; F54-M75 HydrophobicContact CB-SD 3.69Å; F54-M75 HydrophobicContact CD2-CG 4.2Å; F54-M75 HydrophobicContact CG-CG 4.05Å; F54-I78 HydrophobicContact CD2-CD1 4.1Å; F54-I78 HydrophobicContact CE2-CD1 3.74Å
55Q82.3Confident77Confident45 Ų4566.5 Ų66.521%0.2136%0.362CS..Hα-helixtrans-63.9-37.8173178.860.635.600111.9L51 S53 V57 L58 E59 M75L51-Q55 WeakPolarHBondContact O-CB 3.3Å; L51-Q55 PolarHBondContact O-N 3.47Å; S53-Q55 VanDerWaalsContact C-N 3.28Å; S53-Q55 PolarHBondContact O-N 2.97Å; Q55-V57 VanDerWaalsContact C-N 3.34Å; Q55-L58 WeakPolarHBondContact O-CB 3.48Å; Q55-L58 PolarHBondContact O-N 3.49Å; Q55-E59 WeakPolarHBondContact CG-OE1 3.32Å; Q55-E59 PolarHBondContact NE2-OE1 2.94Å; Q55-E59 VanDerWaalsContact NE2-OE1 3.1Å; Q55-E59 PolarHBondContact O-N 3.22Å; Q55-E59 VanDerWaalsContact O-N 3.09Å; Q55-M75 HydrophobicContact CB-CE 4.35Å
56K80.6Confident77.2Confident112 Ų11264.9 Ų64.949%0.48735%0.351SS..Hα-helixtrans-65.4-37.3175.4-69.5170.4-175.9176.20112.1S52 S53 F54 L58 E59 L60S52-K56 WeakPolarHBondContact O-CG 3.33Å; S52-K56 PolarHBondContact O-N 3.26Å; S53-K56 WeakPolarHBondContact O-CB 3.47Å; S53-K56 PolarHBondContact O-N 2.99Å; S53-K56 VanDerWaalsContact O-N 3.14Å; F54-K56 VanDerWaalsContact C-N 3.33Å; K56-L58 PolarHBondContact O-N 2.94Å; K56-E59 PolarHBondContact O-N 3.38Å; K56-E59 VanDerWaalsContact O-N 3.12Å; K56-L60 WeakPolarHBondContact O-CG 3.4Å; K56-L60 PolarHBondContact O-N 3.47Å
57V79.8Confident77Confident0 Ų061.5 Ų61.50%033%0.33CS..Hα-helixtrans-58.1-40.5173.3179.60000110.3L32 Q35 S53 F54 Q55 L60 E61 A71L32-V57 HydrophobicContact CD2-CG1 4.34Å; Q35-V57 HydrophobicContact CB-CG2 4.05Å; Q35-V57 HydrophobicContact CG-CG2 3.89Å; S53-V57 PolarHBondContact O-N 3.34Å; F54-V57 WeakPolarHBondContact O-CB 3.4Å; F54-V57 PolarHBondContact O-N 2.72Å; Q55-V57 VanDerWaalsContact C-N 3.34Å; V57-L60 PolarHBondContact O-N 3.03Å; V57-E61 WeakPolarHBondContact O-CB 3.34Å; V57-E61 PolarHBondContact O-N 3.07Å; V57-E61 VanDerWaalsContact O-N 3.08Å; V57-A71 HydrophobicContact CB-CB 4.44Å; V57-A71 HydrophobicContact CG1-CB 4.27Å
58L77.8Confident77.1Confident27 Ų2759.4 Ų59.414%0.14132%0.317CS..Hα-helixtrans-69.1-31.4177.8-157.272.5000113.4F54 Q55 K56 L72 Y98F54-L58 PolarHBondContact O-N 3.12Å; Q55-L58 WeakPolarHBondContact O-CB 3.48Å; Q55-L58 PolarHBondContact O-N 3.49Å; K56-L58 PolarHBondContact O-N 2.94Å; L58-L72 HydrophobicContact CD1-CD1 3.96Å; L58-L72 HydrophobicContact CD1-CD2 4.45Å; L58-L72 HydrophobicContact CD1-CG 3.98Å; L58-L72 HydrophobicContact CD2-CD2 4.1Å; L58-Y98 VanDerWaalsContact CD1-OH 3.25Å; L58-Y98 WeakPolarHBondContact CD1-OH 3.4Å
59E78.6Confident77.2Confident136 Ų13651.6 Ų51.664%0.63628%0.283SS*.Hα-helixtrans-78.8-31.6177.9-73.1169-164.500112.7Q55 K56Q55-E59 WeakPolarHBondContact CG-OE1 3.32Å; Q55-E59 PolarHBondContact NE2-OE1 2.94Å; Q55-E59 VanDerWaalsContact NE2-OE1 3.1Å; Q55-E59 PolarHBondContact O-N 3.22Å; Q55-E59 VanDerWaalsContact O-N 3.09Å; K56-E59 PolarHBondContact O-N 3.38Å; K56-E59 VanDerWaalsContact O-N 3.12Å
60L73.9Confident77.3Confident105 Ų10551.8 Ų51.855%0.5528%0.277SS..Hα-helixtrans-75.3-27.3173.6-69.3178.4000112.2L32 K56 V57 G62L32-L60 HydrophobicContact CD2-CB 3.65Å; K56-L60 WeakPolarHBondContact O-CG 3.4Å; K56-L60 PolarHBondContact O-N 3.47Å; V57-L60 PolarHBondContact O-N 3.03Å; L60-G62 PolarHBondContact O-N 2.97Å
61E68.6Low77.4Confident20 Ų2051.8 Ų51.89%0.09328%0.277CS..  trans-77.186.2176-152.2-170.2-134.300110.3L32 V57 E63 G65 W67 G68L32-E61 HydrophobicContact CD1-CG 4.4Å; L32-E61 HydrophobicContact CD2-CB 4.41Å; V57-E61 WeakPolarHBondContact O-CB 3.34Å; V57-E61 PolarHBondContact O-N 3.07Å; V57-E61 VanDerWaalsContact O-N 3.08Å; E61-E63 WeakPolarHBondContact CG-O 3.39Å; E61-G65 WeakPolarHBondContact OE1-CA 3.17Å; E61-G65 PolarHBondContact OE1-N 3.47Å; E61-G65 PolarHBondContact OE2-N 3.25Å; E61-W67 PolarHBondContact OE1-N 3.45Å; E61-G68 VanDerWaalsContact CD-N 3.26Å; E61-G68 PolarHBondContact OE1-N 3.33Å; E61-G68 WeakPolarHBondContact OE2-CA 3.43Å; E61-G68 PolarHBondContact OE2-N 3.38Å
62G61.9Low77.5Confident81 Ų8150.5 Ų50.584%0.83527%0.27SS*.  trans-67.5-31.8-176.900000114.8L60L60-G62 PolarHBondContact O-N 2.97Å
63E66.6Low77.6Confident174 Ų17448.8 Ų48.881%0.81326%0.255SS*.SBendtrans-112.9137.4169.9-68.1-168.7164.100109.3E61 G65E61-E63 WeakPolarHBondContact CG-O 3.39Å; E63-G65 PolarHBondContact O-N 3.33Å
64K72.9Confident77.8Confident96 Ų9648.7 Ų48.742%0.41725%0.252SS..  trans-57.1115.2-177.4-64-172-174.6-173.80110.7T97 Y98 A102K64-T97 VanDerWaalsContact NZ-CB 3.3Å; K64-T97 PolarHBondContact NZ-O 2.91Å; K64-T97 PolarHBondContact NZ-OG1 3.32Å; K64-Y98 HydrophobicContact CB-CD1 3.76Å; K64-Y98 HydrophobicContact CB-CE1 3.55Å; K64-Y98 HydrophobicContact CD-CD1 4.21Å; K64-Y98 HydrophobicContact CD-CD2 4.48Å; K64-Y98 HydrophobicContact CD-CE1 4.16Å; K64-Y98 HydrophobicContact CD-CE2 4.41Å; K64-Y98 HydrophobicContact CD-CG 4.35Å; K64-Y98 HydrophobicContact CG-CD1 4.22Å; K64-Y98 HydrophobicContact CG-CE1 3.78Å; K64-A102 HydrophobicContact CB-CB 3.66Å; K64-A102 WeakPolarHBondContact O-CB 3.48Å
65G74.3Confident77.8Confident19 Ų1948.8 Ų48.820%0.19625%0.253CS..  trans-125.1-172.6-177.700000113.1E61 E63E61-G65 WeakPolarHBondContact OE1-CA 3.17Å; E61-G65 PolarHBondContact OE1-N 3.47Å; E61-G65 PolarHBondContact OE2-N 3.25Å; E63-G65 PolarHBondContact O-N 3.33Å
66E75.9Confident77.9Confident93 Ų9346.8 Ų46.844%0.43524%0.244SC..Hα-helixtrans-73.6-32.4-178-167.4-177.915300112.3F69 K70E66-F69 WeakPolarHBondContact O-CB 3.38Å; E66-F69 PolarHBondContact O-N 2.87Å; E66-K70 HydrophobicContact CG-CD 4.46Å; E66-K70 WeakPolarHBondContact O-CG 3.33Å; E66-K70 PolarHBondContact O-N 3.09Å; E66-K70 WeakPolarHBondContact OE1-CE 3.47Å; E66-K70 IonicContact OE1-NZ 2.71Å; E66-K70 PolarHBondContact OE1-NZ 3.45Å
67W78.3Confident78.1Confident29 Ų2943.1 Ų43.111%0.1123%0.228CC..Hα-helixtrans-72.9-38.8-177-69.2112.7000112.3N29 E33 Y36 Y37 E61 F69 K70 A71N29-W67 VanDerWaalsContact OD1-CD1 3.29Å; N29-W67 PolarHBondContact OD1-NE1 3.02Å; E33-W67 HydrophobicContact CB-CH2 4.13Å; E33-W67 HydrophobicContact CB-CZ2 3.86Å; E33-W67 HydrophobicContact CG-CH2 3.61Å; E33-W67 HydrophobicContact CG-CZ2 3.71Å; E33-W67 HydrophobicContact CG-CZ3 4.34Å; Y36-W67 AromaticContact CD1-CE3 3.92Å; Y36-W67 HydrophobicContact CD1-CE3 3.92Å; Y36-W67 AromaticContact CD1-CZ3 3.62Å; Y36-W67 HydrophobicContact CD1-CZ3 3.62Å; Y36-W67 HydrophobicContact CD2-CE3 4.49Å; Y36-W67 HydrophobicContact CE1-CE3 4.48Å; Y36-W67 HydrophobicContact CE1-CZ3 4.09Å; Y36-W67 AromaticContact CG-CE3 3.92Å; Y36-W67 HydrophobicContact CG-CE3 3.92Å; Y36-W67 HydrophobicContact CG-CZ3 4.1Å; Y37-W67 HydrophobicContact CE2-CH2 4.25Å; E61-W67 PolarHBondContact OE1-N 3.45Å; W67-F69 VanDerWaalsContact C-N 3.29Å; W67-F69 PolarHBondContact O-N 3.13Å; W67-K70 HydrophobicContact CE3-CD 3.96Å; W67-K70 HydrophobicContact CZ3-CD 4.1Å; W67-K70 PolarHBondContact O-N 2.96Å; W67-A71 WeakPolarHBondContact O-CB 3.28Å; W67-A71 PolarHBondContact O-N 2.99Å
68G80Confident78.3Confident0 Ų043.3 Ų43.30%023%0.229CC..Hα-helixtrans-64.3-34.9171.400000112.3E61 A71 L72E61-G68 VanDerWaalsContact CD-N 3.26Å; E61-G68 PolarHBondContact OE1-N 3.33Å; E61-G68 WeakPolarHBondContact OE2-CA 3.43Å; E61-G68 PolarHBondContact OE2-N 3.38Å; G68-A71 PolarHBondContact O-N 3.31Å; G68-L72 WeakPolarHBondContact O-CB 3.42Å; G68-L72 VanDerWaalsContact O-CG 3.27Å; G68-L72 WeakPolarHBondContact O-CG 3.05Å; G68-L72 PolarHBondContact O-N 2.92Å
69F81.7Confident78.5Confident0 Ų042.1 Ų42.10%022%0.222CC..Hα-helixtrans-66.5-44.5173.4-172.5-86.9000112.3E66 W67 A71 L72 K73 L95 Y98 V103 Y107E66-F69 WeakPolarHBondContact O-CB 3.38Å; E66-F69 PolarHBondContact O-N 2.87Å; W67-F69 VanDerWaalsContact C-N 3.29Å; W67-F69 PolarHBondContact O-N 3.13Å; F69-A71 VanDerWaalsContact C-N 3.35Å; F69-L72 PolarHBondContact O-N 2.72Å; F69-K73 WeakPolarHBondContact O-CB 3.41Å; F69-K73 PolarHBondContact O-N 3.1Å; F69-L95 HydrophobicContact CD2-CD2 4.31Å; F69-L95 HydrophobicContact CD2-CG 3.99Å; F69-L95 HydrophobicContact CE2-CD1 4.27Å; F69-L95 HydrophobicContact CE2-CD2 3.45Å; F69-L95 VanDerWaalsContact CE2-CD2 3.45Å; F69-L95 HydrophobicContact CE2-CG 3.62Å; F69-L95 HydrophobicContact CZ-CD1 4.36Å; F69-L95 HydrophobicContact CZ-CD2 3.8Å; F69-L95 HydrophobicContact CZ-CG 4.14Å; F69-Y98 HydrophobicContact CB-CD1 4.42Å; F69-Y98 HydrophobicContact CD2-CG 4.28Å; F69-V103 HydrophobicContact CB-CG2 3.69Å; F69-V103 HydrophobicContact CD1-CG1 4.49Å; F69-V103 HydrophobicContact CD1-CG2 4.38Å; F69-V103 HydrophobicContact CD2-CB 4.49Å; F69-V103 HydrophobicContact CD2-CG2 3.82Å; F69-V103 HydrophobicContact CG-CG2 3.71Å; F69-Y107 AromaticContact CD1-CD1 3.99Å; F69-Y107 HydrophobicContact CD1-CD1 3.99Å; F69-Y107 AromaticContact CD1-CE1 3.63Å; F69-Y107 HydrophobicContact CD1-CE1 3.63Å; F69-Y107 AromaticContact CE1-CD1 3.83Å; F69-Y107 HydrophobicContact CE1-CD1 3.83Å; F69-Y107 AromaticContact CE1-CE1 3.74Å; F69-Y107 HydrophobicContact CE1-CE1 3.74Å
70K81.9Confident78.7Confident40 Ų4037 Ų3717%0.17420%0.198CC..Hα-helixtrans-61-43174.4-75.1174.1-178.3167.90111.4Y36 E66 W67 K73 Q74 Y107Y36-K70 HydrophobicContact CD2-CB 4.49Å; Y36-K70 HydrophobicContact CE2-CB 3.74Å; E66-K70 HydrophobicContact CG-CD 4.46Å; E66-K70 WeakPolarHBondContact O-CG 3.33Å; E66-K70 PolarHBondContact O-N 3.09Å; E66-K70 WeakPolarHBondContact OE1-CE 3.47Å; E66-K70 IonicContact OE1-NZ 2.71Å; E66-K70 PolarHBondContact OE1-NZ 3.45Å; W67-K70 HydrophobicContact CE3-CD 3.96Å; W67-K70 HydrophobicContact CZ3-CD 4.1Å; W67-K70 PolarHBondContact O-N 2.96Å; K70-K73 PolarHBondContact O-N 3.2Å; K70-Q74 PolarHBondContact O-N 3.43Å; K70-Q74 VanDerWaalsContact O-N 3.14Å; K70-Y107 WeakPolarHBondContact CE-OH 3.22Å; K70-Y107 HydrophobicContact CG-CE1 4.48Å; K70-Y107 WeakPolarHBondContact CG-OH 3.45Å
71A83.4Confident79.1Confident0 Ų039 Ų390%020%0.202CC..Hα-helixtrans-61.4-49.9176.200000111.4Y36 F54 V57 W67 G68 F69 K73 Q74 M75Y36-A71 HydrophobicContact CD2-CB 4.23Å; Y36-A71 HydrophobicContact CE2-CB 4.41Å; F54-A71 HydrophobicContact CB-CB 4.39Å; F54-A71 HydrophobicContact CD1-CB 3.89Å; V57-A71 HydrophobicContact CB-CB 4.44Å; V57-A71 HydrophobicContact CG1-CB 4.27Å; W67-A71 WeakPolarHBondContact O-CB 3.28Å; W67-A71 PolarHBondContact O-N 2.99Å; G68-A71 PolarHBondContact O-N 3.31Å; F69-A71 VanDerWaalsContact C-N 3.35Å; A71-K73 VanDerWaalsContact C-N 3.32Å; A71-K73 PolarHBondContact O-N 3.45Å; A71-Q74 PolarHBondContact O-N 3.01Å; A71-Q74 VanDerWaalsContact O-N 3.12Å; A71-M75 VanDerWaalsContact O-CG 3.31Å; A71-M75 WeakPolarHBondContact O-CG 3.29Å; A71-M75 PolarHBondContact O-N 3.48Å
72L84.1Confident79.7Confident0 Ų040.8 Ų40.80%021%0.212CC..Hα-helixtrans-59.4-40.7177.1-75.2170000112.2L58 G68 F69 Q74 M75 I76 R91 Q94 L95 Y98L58-L72 HydrophobicContact CD1-CD1 3.96Å; L58-L72 HydrophobicContact CD1-CD2 4.45Å; L58-L72 HydrophobicContact CD1-CG 3.98Å; L58-L72 HydrophobicContact CD2-CD2 4.1Å; G68-L72 WeakPolarHBondContact O-CB 3.42Å; G68-L72 VanDerWaalsContact O-CG 3.27Å; G68-L72 WeakPolarHBondContact O-CG 3.05Å; G68-L72 PolarHBondContact O-N 2.92Å; F69-L72 PolarHBondContact O-N 2.72Å; L72-Q74 VanDerWaalsContact C-N 3.34Å; L72-Q74 PolarHBondContact O-N 2.95Å; L72-M75 HydrophobicContact CD2-SD 4.28Å; L72-M75 PolarHBondContact O-N 3.42Å; L72-I76 WeakPolarHBondContact O-CD1 3.27Å; L72-I76 VanDerWaalsContact O-CG1 3.25Å; L72-I76 WeakPolarHBondContact O-CG1 3.4Å; L72-I76 PolarHBondContact O-N 3.3Å; L72-R91 HydrophobicContact CD2-CB 4.41Å; L72-Q94 HydrophobicContact CD1-CB 4.33Å; L72-Q94 HydrophobicContact CD2-CB 4.35Å; L72-L95 HydrophobicContact CB-CB 4.3Å; L72-L95 HydrophobicContact CB-CD1 4.19Å; L72-L95 HydrophobicContact CD1-CB 4.33Å; L72-Y98 HydrophobicContact CD1-CD2 3.96Å; L72-Y98 HydrophobicContact CD1-CE2 3.48Å; L72-Y98 VanDerWaalsContact CD1-CE2 3.48Å
73K84.8Confident80.5Confident25 Ų2541.6 Ų41.611%0.10920%0.201CC..Hα-helixtrans-57.9-44.8174.8-179.2-179.1178.9-177.50111.6F69 K70 A71 I76 K77 L95 I115F69-K73 WeakPolarHBondContact O-CB 3.41Å; F69-K73 PolarHBondContact O-N 3.1Å; K70-K73 PolarHBondContact O-N 3.2Å; A71-K73 VanDerWaalsContact C-N 3.32Å; A71-K73 PolarHBondContact O-N 3.45Å; K73-I76 PolarHBondContact O-N 3.32Å; K73-K77 PolarHBondContact O-N 2.69Å; K73-L95 HydrophobicContact CB-CD1 4.43Å; K73-I115 HydrophobicContact CG-CD1 4.32Å
74Q83.3Confident81.3Confident20 Ų2036.8 Ų36.89%0.09318%0.181CC..Hα-helixtrans-69.2-40.3177-67.6-59.3-3500112.1Y36 F54 K70 A71 L72 I76 K77 I78Y36-Q74 HydrophobicContact CE2-CG 4.43Å; F54-Q74 HydrophobicContact CE1-CB 4.29Å; F54-Q74 HydrophobicContact CE2-CB 4.09Å; F54-Q74 HydrophobicContact CZ-CB 3.9Å; F54-Q74 HydrophobicContact CZ-CG 4.34Å; K70-Q74 PolarHBondContact O-N 3.43Å; K70-Q74 VanDerWaalsContact O-N 3.14Å; A71-Q74 PolarHBondContact O-N 3.01Å; A71-Q74 VanDerWaalsContact O-N 3.12Å; L72-Q74 VanDerWaalsContact C-N 3.34Å; L72-Q74 PolarHBondContact O-N 2.95Å; Q74-I76 VanDerWaalsContact C-N 3.27Å; Q74-I76 PolarHBondContact O-N 3.37Å; Q74-K77 PolarHBondContact O-N 3.27Å; Q74-K77 VanDerWaalsContact O-N 3.16Å; Q74-I78 VanDerWaalsContact O-CG1 3.3Å; Q74-I78 WeakPolarHBondContact O-CG1 3.25Å; Q74-I78 PolarHBondContact O-N 3.42Å
75M83.6Confident81.6Confident3 Ų334 Ų342%0.01517%0.169CC..Hα-helixtrans-58.8-39.4175.2-67.8175.779.200112L51 F54 Q55 A71 L72 I78 N79L51-M75 HydrophobicContact CD2-CB 3.87Å; L51-M75 HydrophobicContact CD2-CE 4.26Å; L51-M75 HydrophobicContact CD2-CG 3.97Å; F54-M75 HydrophobicContact CB-CG 3.48Å; F54-M75 VanDerWaalsContact CB-CG 3.48Å; F54-M75 HydrophobicContact CB-SD 3.69Å; F54-M75 HydrophobicContact CD2-CG 4.2Å; F54-M75 HydrophobicContact CG-CG 4.05Å; Q55-M75 HydrophobicContact CB-CE 4.35Å; A71-M75 VanDerWaalsContact O-CG 3.31Å; A71-M75 WeakPolarHBondContact O-CG 3.29Å; A71-M75 PolarHBondContact O-N 3.48Å; L72-M75 HydrophobicContact CD2-SD 4.28Å; L72-M75 PolarHBondContact O-N 3.42Å; M75-I78 PolarHBondContact O-N 2.72Å; M75-N79 WeakPolarHBondContact O-CB 3.16Å; M75-N79 PolarHBondContact O-N 3.02Å; M75-N79 PolarHBondContact O-ND2 3.08Å
76I84.8Confident82.1Confident2 Ų237.6 Ų37.61%0.0119%0.189CC..Hα-helixtrans-64.4-46.2175.6-68.3156.8000110.6L72 K73 Q74 I78 N79 F80 M88 R91 Y92 L95 I115L72-I76 WeakPolarHBondContact O-CD1 3.27Å; L72-I76 VanDerWaalsContact O-CG1 3.25Å; L72-I76 WeakPolarHBondContact O-CG1 3.4Å; L72-I76 PolarHBondContact O-N 3.3Å; K73-I76 PolarHBondContact O-N 3.32Å; Q74-I76 VanDerWaalsContact C-N 3.27Å; Q74-I76 PolarHBondContact O-N 3.37Å; I76-I78 VanDerWaalsContact C-N 3.32Å; I76-I78 PolarHBondContact O-N 3.3Å; I76-N79 PolarHBondContact O-N 3.24Å; I76-F80 PolarHBondContact O-N 3.32Å; I76-M88 HydrophobicContact CG2-CE 3.58Å; I76-M88 HydrophobicContact CG2-CG 4.06Å; I76-R91 HydrophobicContact CG1-CB 4.08Å; I76-Y92 HydrophobicContact CD1-CD2 3.99Å; I76-L95 HydrophobicContact CD1-CB 4.15Å; I76-L95 HydrophobicContact CD1-CD1 3.45Å; I76-L95 VanDerWaalsContact CD1-CD1 3.45Å; I76-L95 HydrophobicContact CD1-CG 4.41Å; I76-I115 HydrophobicContact CD1-CD1 4.23Å; I76-I115 HydrophobicContact CG2-CG2 4.06Å
77K83.4Confident82.4Confident35 Ų3535.9 Ų35.915%0.15218%0.181CC..Hα-helixtrans-60.1-40.5176.1-72.4-172174.4-166.10112.1K73 Q74 F80 K81 Y118K73-K77 PolarHBondContact O-N 2.69Å; Q74-K77 PolarHBondContact O-N 3.27Å; Q74-K77 VanDerWaalsContact O-N 3.16Å; K77-F80 WeakPolarHBondContact O-CB 3.4Å; K77-K81 PolarHBondContact O-N 3.25Å; K77-Y118 HydrophobicContact CG-CE1 4.49Å
78I83.8Confident82.7Confident4 Ų434.5 Ų34.52%0.02118%0.176CC..Hα-helixtrans-69-46.1178.2-65.2165.2000111K43 P47 A50 L51 F54 Q74 M75 I76 F80 K81 L82K43-I78 HydrophobicContact CD-CD1 4.32Å; K43-I78 HydrophobicContact CD-CG1 4.28Å; K43-I78 HydrophobicContact CG-CD1 3.96Å; K43-I78 HydrophobicContact CG-CG1 4Å; P47-I78 HydrophobicContact CB-CG2 3.74Å; A50-I78 HydrophobicContact CB-CD1 4.12Å; L51-I78 HydrophobicContact CD1-CG2 4.19Å; L51-I78 HydrophobicContact CD2-CB 4.2Å; L51-I78 HydrophobicContact CD2-CG2 4.09Å; L51-I78 HydrophobicContact CG-CG2 3.94Å; F54-I78 HydrophobicContact CD2-CD1 4.1Å; F54-I78 HydrophobicContact CE2-CD1 3.74Å; Q74-I78 VanDerWaalsContact O-CG1 3.3Å; Q74-I78 WeakPolarHBondContact O-CG1 3.25Å; Q74-I78 PolarHBondContact O-N 3.42Å; M75-I78 PolarHBondContact O-N 2.72Å; I76-I78 VanDerWaalsContact C-N 3.32Å; I76-I78 PolarHBondContact O-N 3.3Å; I78-F80 PolarHBondContact O-N 3.45Å; I78-K81 PolarHBondContact O-N 2.91Å; I78-K81 VanDerWaalsContact O-N 3.12Å; I78-L82 HydrophobicContact CG2-CD1 3.94Å; I78-L82 HydrophobicContact CG2-CG 4.33Å; I78-L82 WeakPolarHBondContact O-CG 3.47Å; I78-L82 PolarHBondContact O-N 3.38Å
79N83.4Confident82.8Confident2 Ų234.9 Ų34.91%0.01118%0.177CC..Hα-helixtrans-63.1-32.2177.9-78.8-35.9000112.5L51 M75 I76 T83 N84 M88L51-N79 VanDerWaalsContact CD1-OD1 3.31Å; L51-N79 WeakPolarHBondContact CD1-OD1 3.43Å; M75-N79 WeakPolarHBondContact O-CB 3.16Å; M75-N79 PolarHBondContact O-N 3.02Å; M75-N79 PolarHBondContact O-ND2 3.08Å; I76-N79 PolarHBondContact O-N 3.24Å; N79-T83 PolarHBondContact O-N 3.11Å; N79-N84 PolarHBondContact O-N 3.42Å; N79-M88 HydrophobicContact CB-CB 3.92Å; N79-M88 HydrophobicContact CB-CG 4.3Å
80F82.2Confident83Confident30 Ų3038.6 Ų38.613%0.13220%0.197CC..Hα-helixtrans-61.8-50.8170-169.8-113.4000111.9I76 K77 I78 L82 T83 F85 M88 Y118 I119I76-F80 PolarHBondContact O-N 3.32Å; K77-F80 WeakPolarHBondContact O-CB 3.4Å; I78-F80 PolarHBondContact O-N 3.45Å; F80-L82 PolarHBondContact O-N 3.07Å; F80-T83 PolarHBondContact O-N 2.91Å; F80-F85 HydrophobicContact CD2-CE1 4.42Å; F80-M88 HydrophobicContact CB-CE 3.5Å; F80-M88 VanDerWaalsContact CB-CE 3.5Å; F80-M88 HydrophobicContact CB-SD 4.44Å; F80-M88 HydrophobicContact CD2-CE 3.59Å; F80-M88 HydrophobicContact CD2-SD 4.18Å; F80-M88 HydrophobicContact CG-CE 3.9Å; F80-Y118 HydrophobicContact CB-CE1 4.35Å; F80-Y118 AromaticContact CD1-CD1 3.73Å; F80-Y118 HydrophobicContact CD1-CD1 3.73Å; F80-Y118 AromaticContact CD1-CE1 3.31Å; F80-Y118 HydrophobicContact CD1-CE1 3.31Å; F80-Y118 HydrophobicContact CE1-CD1 4Å; F80-Y118 AromaticContact CE1-CE1 3.82Å; F80-Y118 HydrophobicContact CE1-CE1 3.82Å; F80-Y118 HydrophobicContact CG-CD1 4.34Å; F80-Y118 HydrophobicContact CG-CE1 4.14Å; F80-I119 HydrophobicContact CD2-CG1 4.33Å; F80-I119 HydrophobicContact CE2-CB 4.34Å; F80-I119 HydrophobicContact CE2-CG1 4.29Å; F80-I119 HydrophobicContact CE2-CG2 4.13Å
81K81.8Confident83.2Confident146 Ų14638.5 Ų38.564%0.63520%0.196SC*.Hα-helixtrans-61.6-33.8179.7-165.1176.6-177.6-178.20111.6K77 I78 T83K77-K81 PolarHBondContact O-N 3.25Å; I78-K81 PolarHBondContact O-N 2.91Å; I78-K81 VanDerWaalsContact O-N 3.12Å; K81-T83 VanDerWaalsContact C-N 3.31Å
82L81Confident83.4Confident58 Ų5838.5 Ų38.530%0.30420%0.196SC..THydrogen-bonded Turntrans-83.21.5176-66.6-179.9000114.3P47 K48 L51 I78 F80 N84P47-L82 HydrophobicContact CB-CD1 4.11Å; P47-L82 HydrophobicContact CB-CD2 4.2Å; P47-L82 HydrophobicContact CB-CG 4.33Å; P47-L82 HydrophobicContact CG-CD1 4.5Å; P47-L82 HydrophobicContact CG-CD2 3.88Å; K48-L82 HydrophobicContact CG-CD1 4.35Å; L51-L82 HydrophobicContact CD1-CD1 4.04Å; I78-L82 HydrophobicContact CG2-CD1 3.94Å; I78-L82 HydrophobicContact CG2-CG 4.33Å; I78-L82 WeakPolarHBondContact O-CG 3.47Å; I78-L82 PolarHBondContact O-N 3.38Å; F80-L82 PolarHBondContact O-N 3.07Å; L82-N84 PolarHBondContact O-N 2.92Å; L82-N84 VanDerWaalsContact O-N 3.15Å
83T79.3Confident83.4Confident98 Ų9843.2 Ų43.260%0.60122%0.216SC*.THydrogen-bonded Turntrans57.621.3-178.763.50000115.2N79 F80 K81 F85N79-T83 PolarHBondContact O-N 3.11Å; F80-T83 PolarHBondContact O-N 2.91Å; K81-T83 VanDerWaalsContact C-N 3.31Å; T83-F85 HydrophobicContact CG2-CZ 4.28Å; T83-F85 VanDerWaalsContact O-CD2 3.29Å; T83-F85 WeakPolarHBondContact O-CD2 3.32Å; T83-F85 WeakPolarHBondContact O-CE2 3.34Å; T83-F85 PolarHBondContact O-N 3.13Å
84N83.1Confident83.4Confident72 Ų7245.5 Ų45.539%0.38523%0.227SC..  trans-92.378.9178.4-170.92.7000111N79 L82 E87 M88N79-N84 PolarHBondContact O-N 3.42Å; L82-N84 PolarHBondContact O-N 2.92Å; L82-N84 VanDerWaalsContact O-N 3.15Å; N84-E87 WeakPolarHBondContact ND2-CB 3.46Å; N84-M88 WeakPolarHBondContact O-CB 3.5Å; N84-M88 PolarHBondContact O-N 3.32Å; N84-M88 VanDerWaalsContact O-N 3.1Å
85F80.6Confident83.5Confident39 Ų3944.6 Ų44.617%0.17122%0.223CC..Hα-helixtrans-68.7-38.4-172.4-52.2-62.2000116F80 T83 E87 M88 M89 L127F80-F85 HydrophobicContact CD2-CE1 4.42Å; T83-F85 HydrophobicContact CG2-CZ 4.28Å; T83-F85 VanDerWaalsContact O-CD2 3.29Å; T83-F85 WeakPolarHBondContact O-CD2 3.32Å; T83-F85 WeakPolarHBondContact O-CE2 3.34Å; T83-F85 PolarHBondContact O-N 3.13Å; F85-E87 PolarHBondContact O-N 2.84Å; F85-M88 HydrophobicContact CD1-SD 4.48Å; F85-M88 WeakPolarHBondContact O-CB 3.41Å; F85-M88 PolarHBondContact O-N 2.88Å; F85-M89 PolarHBondContact O-N 3.32Å; F85-L127 HydrophobicContact CB-CD1 3.63Å; F85-L127 HydrophobicContact CB-CD2 3.93Å; F85-L127 HydrophobicContact CB-CG 4.42Å; F85-L127 HydrophobicContact CD1-CD1 4.48Å; F85-L127 HydrophobicContact CD1-CD2 3.15Å; F85-L127 HydrophobicContact CD1-CG 4.39Å; F85-L127 HydrophobicContact CE1-CD2 3.7Å; F85-L127 HydrophobicContact CG-CD1 4.2Å; F85-L127 HydrophobicContact CG-CD2 3.64Å
86P83.1Confident83.4Confident93 Ų9345.2 Ų45.260%0.60423%0.226SC*.Hα-helixtrans-63.4-43.2177.7-23.434.6000112.4M89 N90P86-M89 PolarHBondContact O-N 2.86Å; P86-N90 PolarHBondContact O-N 3.21Å; P86-N90 VanDerWaalsContact O-N 3.14Å; P86-N90 PolarHBondContact O-ND2 3.12Å
87E82.4Confident83.3Confident57 Ų5748.4 Ų48.427%0.26625%0.246SC..Hα-helixtrans-70.2-37.2179.1-171.458.5-162.900111.1N84 F85 M89 N90 R91N84-E87 WeakPolarHBondContact ND2-CB 3.46Å; F85-E87 PolarHBondContact O-N 2.84Å; E87-M89 VanDerWaalsContact C-N 3.31Å; E87-M89 PolarHBondContact O-N 2.87Å; E87-N90 WeakPolarHBondContact O-CB 3.39Å; E87-N90 PolarHBondContact O-N 3.1Å; E87-N90 PolarHBondContact OE2-ND2 3.27Å; E87-R91 WeakPolarHBondContact O-CG 3.34Å; E87-R91 PolarHBondContact O-N 3.42Å; E87-R91 IonicContact OE1-CZ 2.84Å; E87-R91 VanDerWaalsContact OE1-CZ 3.23Å; E87-R91 IonicContact OE1-NE 2.62Å; E87-R91 PolarHBondContact OE1-NE 3.43Å; E87-R91 IonicContact OE1-NH2 2.83Å; E87-R91 PolarHBondContact OE1-NH2 2.96Å
88M84.3Confident83.1Confident1 Ų147.6 Ų47.61%0.00524%0.242CC..Hα-helixtrans-54.9-46.6171.4-172.6-165.3-156.600112I76 N79 F80 N84 F85 N90 R91 Y92 I119 F131I76-M88 HydrophobicContact CG2-CE 3.58Å; I76-M88 HydrophobicContact CG2-CG 4.06Å; N79-M88 HydrophobicContact CB-CB 3.92Å; N79-M88 HydrophobicContact CB-CG 4.3Å; F80-M88 HydrophobicContact CB-CE 3.5Å; F80-M88 VanDerWaalsContact CB-CE 3.5Å; F80-M88 HydrophobicContact CB-SD 4.44Å; F80-M88 HydrophobicContact CD2-CE 3.59Å; F80-M88 HydrophobicContact CD2-SD 4.18Å; F80-M88 HydrophobicContact CG-CE 3.9Å; N84-M88 WeakPolarHBondContact O-CB 3.5Å; N84-M88 PolarHBondContact O-N 3.32Å; N84-M88 VanDerWaalsContact O-N 3.1Å; F85-M88 HydrophobicContact CD1-SD 4.48Å; F85-M88 WeakPolarHBondContact O-CB 3.41Å; F85-M88 PolarHBondContact O-N 2.88Å; M88-N90 VanDerWaalsContact C-N 3.34Å; M88-N90 PolarHBondContact O-N 3.42Å; M88-R91 PolarHBondContact O-N 3.16Å; M88-Y92 WeakPolarHBondContact O-CB 3.27Å; M88-Y92 PolarHBondContact O-N 3.34Å; M88-I119 HydrophobicContact CE-CD1 3.71Å; M88-I119 HydrophobicContact CE-CG1 3.77Å; M88-F131 HydrophobicContact CB-CZ 4.33Å; M88-F131 HydrophobicContact CE-CZ 4.38Å; M88-F131 HydrophobicContact CG-CE1 4.36Å; M88-F131 HydrophobicContact CG-CZ 3.74Å; M88-F131 HydrophobicContact SD-CE1 4.31Å; M88-F131 HydrophobicContact SD-CE2 3.98Å; M88-F131 HydrophobicContact SD-CZ 3.47Å; M88-F131 WeakPolarHBondContact SD-CZ 3.37Å
89M82.9Confident82.6Confident7 Ų748 Ų483%0.03424%0.244CC..Hα-helixtrans-63.7-39.3178.7-179.158.9103.400111.8F85 P86 E87 Y92 K93 E130 F131 T134F85-M89 PolarHBondContact O-N 3.32Å; P86-M89 PolarHBondContact O-N 2.86Å; E87-M89 VanDerWaalsContact C-N 3.31Å; E87-M89 PolarHBondContact O-N 2.87Å; M89-Y92 PolarHBondContact O-N 3.22Å; M89-Y92 HydrophobicContact SD-CD1 4.46Å; M89-K93 HydrophobicContact CG-CD 4.47Å; M89-K93 WeakPolarHBondContact O-CG 3.23Å; M89-K93 PolarHBondContact O-N 3.19Å; M89-K93 HydrophobicContact SD-CG 4.43Å; M89-E130 HydrophobicContact CE-CB 3.66Å; M89-E130 VanDerWaalsContact CE-CD 3.42Å; M89-E130 HydrophobicContact CE-CG 3.41Å; M89-E130 VanDerWaalsContact CE-CG 3.41Å; M89-E130 WeakPolarHBondContact CE-O 3.5Å; M89-E130 WeakPolarHBondContact CE-OE1 3.21Å; M89-F131 HydrophobicContact CB-CZ 4.32Å; M89-F131 HydrophobicContact CE-CD2 4.28Å; M89-F131 HydrophobicContact CE-CE2 4.44Å; M89-F131 HydrophobicContact CE-CG 4.36Å; M89-F131 HydrophobicContact SD-CD1 4.43Å; M89-F131 HydrophobicContact SD-CE1 4.27Å; M89-F131 HydrophobicContact SD-CZ 4.37Å; M89-T134 HydrophobicContact CE-CG2 3.82Å; M89-T134 HydrophobicContact SD-CG2 4.11Å
90N86.7Confident81.8Confident78 Ų7855.8 Ų55.842%0.41727%0.274SS..Hα-helixtrans-60.9-45.9175-68.9-25.9000111.6P86 E87 M88 Y92 K93 Q94P86-N90 PolarHBondContact O-N 3.21Å; P86-N90 VanDerWaalsContact O-N 3.14Å; P86-N90 PolarHBondContact O-ND2 3.12Å; E87-N90 WeakPolarHBondContact O-CB 3.39Å; E87-N90 PolarHBondContact O-N 3.1Å; E87-N90 PolarHBondContact OE2-ND2 3.27Å; M88-N90 VanDerWaalsContact C-N 3.34Å; M88-N90 PolarHBondContact O-N 3.42Å; N90-Y92 VanDerWaalsContact C-N 3.32Å; N90-Y92 PolarHBondContact O-N 3.31Å; N90-K93 PolarHBondContact O-N 2.94Å; N90-Q94 WeakPolarHBondContact O-CG 3.13Å; N90-Q94 PolarHBondContact O-N 3.46Å; N90-Q94 VanDerWaalsContact O-N 3.07Å
91R86Confident81Confident39 Ų3958.8 Ų58.815%0.14730%0.298CS..Hα-helixtrans-66.9-34.5176.3-58.1-50.1168.7163.84.1112.5L72 I76 E87 M88 Q94 L95L72-R91 HydrophobicContact CD2-CB 4.41Å; I76-R91 HydrophobicContact CG1-CB 4.08Å; E87-R91 WeakPolarHBondContact O-CG 3.34Å; E87-R91 PolarHBondContact O-N 3.42Å; E87-R91 IonicContact OE1-CZ 2.84Å; E87-R91 VanDerWaalsContact OE1-CZ 3.23Å; E87-R91 IonicContact OE1-NE 2.62Å; E87-R91 PolarHBondContact OE1-NE 3.43Å; E87-R91 IonicContact OE1-NH2 2.83Å; E87-R91 PolarHBondContact OE1-NH2 2.96Å; M88-R91 PolarHBondContact O-N 3.16Å; R91-Q94 WeakPolarHBondContact O-CB 3.39Å; R91-Q94 PolarHBondContact O-N 3.46Å; R91-L95 PolarHBondContact O-N 2.72Å
92Y86.4Confident80Confident0 Ų053.1 Ų53.10%028%0.278CS..Hα-helixtrans-64.7-46.6174.3-168.3-106.1000111.8I76 M88 M89 N90 Q94 L95 L96 I115 F131 T135I76-Y92 HydrophobicContact CD1-CD2 3.99Å; M88-Y92 WeakPolarHBondContact O-CB 3.27Å; M88-Y92 PolarHBondContact O-N 3.34Å; M89-Y92 PolarHBondContact O-N 3.22Å; M89-Y92 HydrophobicContact SD-CD1 4.46Å; N90-Y92 VanDerWaalsContact C-N 3.32Å; N90-Y92 PolarHBondContact O-N 3.31Å; Y92-Q94 VanDerWaalsContact C-N 3.27Å; Y92-Q94 PolarHBondContact O-N 3.14Å; Y92-L95 WeakPolarHBondContact O-CB 3.47Å; Y92-L95 PolarHBondContact O-N 2.88Å; Y92-L95 VanDerWaalsContact O-N 3.08Å; Y92-L96 HydrophobicContact CD1-CD1 3.89Å; Y92-L96 HydrophobicContact CD1-CG 4.18Å; Y92-L96 HydrophobicContact CE1-CD1 3.69Å; Y92-L96 HydrophobicContact CE1-CD2 3.94Å; Y92-L96 HydrophobicContact CE1-CG 3.94Å; Y92-L96 WeakPolarHBondContact O-CG 3.34Å; Y92-L96 PolarHBondContact O-N 2.91Å; Y92-I115 HydrophobicContact CD2-CG2 4.38Å; Y92-I115 HydrophobicContact CE2-CD1 4.47Å; Y92-I115 HydrophobicContact CE2-CG2 3.99Å; Y92-F131 AromaticContact CD1-CD1 3.64Å; Y92-F131 HydrophobicContact CD1-CD1 3.64Å; Y92-F131 AromaticContact CD1-CE1 3.86Å; Y92-F131 HydrophobicContact CD1-CE1 3.86Å; Y92-F131 HydrophobicContact CD2-CD1 4.17Å; Y92-F131 HydrophobicContact CD2-CE1 4.02Å; Y92-F131 AromaticContact CE1-CD1 3.94Å; Y92-F131 HydrophobicContact CE1-CD1 3.94Å; Y92-F131 HydrophobicContact CE2-CD1 4.44Å; Y92-F131 AromaticContact CG-CD1 3.78Å; Y92-F131 HydrophobicContact CG-CD1 3.78Å; Y92-F131 AromaticContact CG-CE1 3.57Å; Y92-F131 HydrophobicContact CG-CE1 3.57Å; Y92-T135 VanDerWaalsContact CE1-OG1 3.26Å; Y92-T135 WeakPolarHBondContact CE1-OG1 3.39Å; Y92-T135 WeakPolarHBondContact OH-CG2 3.32Å; Y92-T135 PolarHBondContact OH-OG1 3.36Å
93K85.2Confident79.5Confident99 Ų9951.2 Ų51.243%0.4327%0.269SS..Hα-helixtrans-58.2-39.3173.7-73.2175.4-177.9173.80112M89 N90 L96 T97M89-K93 HydrophobicContact CG-CD 4.47Å; M89-K93 WeakPolarHBondContact O-CG 3.23Å; M89-K93 PolarHBondContact O-N 3.19Å; M89-K93 HydrophobicContact SD-CG 4.43Å; N90-K93 PolarHBondContact O-N 2.94Å; K93-L96 PolarHBondContact O-N 3.36Å; K93-T97 WeakPolarHBondContact O-CG2 3.39Å
94Q83.9Confident79.3Confident73 Ų7351.1 Ų51.134%0.34127%0.269SS..Hα-helixtrans-61.5-48173-72.2175.2-8.700111.3L72 N90 R91 Y92 L96 T97 Y98L72-Q94 HydrophobicContact CD1-CB 4.33Å; L72-Q94 HydrophobicContact CD2-CB 4.35Å; N90-Q94 WeakPolarHBondContact O-CG 3.13Å; N90-Q94 PolarHBondContact O-N 3.46Å; N90-Q94 VanDerWaalsContact O-N 3.07Å; R91-Q94 WeakPolarHBondContact O-CB 3.39Å; R91-Q94 PolarHBondContact O-N 3.46Å; Y92-Q94 VanDerWaalsContact C-N 3.27Å; Y92-Q94 PolarHBondContact O-N 3.14Å; Q94-L96 VanDerWaalsContact C-N 3.31Å; Q94-L96 PolarHBondContact O-N 3.14Å; Q94-T97 WeakPolarHBondContact O-CB 3.34Å; Q94-T97 PolarHBondContact O-N 3.39Å; Q94-T97 PolarHBondContact O-OG1 3.33Å; Q94-Y98 VanDerWaalsContact O-CD2 3.25Å; Q94-Y98 WeakPolarHBondContact O-CD2 3.46Å
95L85.6Confident78.9Confident0 Ų055.9 Ų55.90%028%0.281CS..Hα-helixtrans-57.3-42177.3-173.9155.4000112F69 L72 K73 I76 R91 Y92 T97 Y98 I115F69-L95 HydrophobicContact CD2-CD2 4.31Å; F69-L95 HydrophobicContact CD2-CG 3.99Å; F69-L95 HydrophobicContact CE2-CD1 4.27Å; F69-L95 HydrophobicContact CE2-CD2 3.45Å; F69-L95 VanDerWaalsContact CE2-CD2 3.45Å; F69-L95 HydrophobicContact CE2-CG 3.62Å; F69-L95 HydrophobicContact CZ-CD1 4.36Å; F69-L95 HydrophobicContact CZ-CD2 3.8Å; F69-L95 HydrophobicContact CZ-CG 4.14Å; L72-L95 HydrophobicContact CB-CB 4.3Å; L72-L95 HydrophobicContact CB-CD1 4.19Å; L72-L95 HydrophobicContact CD1-CB 4.33Å; K73-L95 HydrophobicContact CB-CD1 4.43Å; I76-L95 HydrophobicContact CD1-CB 4.15Å; I76-L95 HydrophobicContact CD1-CD1 3.45Å; I76-L95 VanDerWaalsContact CD1-CD1 3.45Å; I76-L95 HydrophobicContact CD1-CG 4.41Å; R91-L95 PolarHBondContact O-N 2.72Å; Y92-L95 WeakPolarHBondContact O-CB 3.47Å; Y92-L95 PolarHBondContact O-N 2.88Å; Y92-L95 VanDerWaalsContact O-N 3.08Å; L95-T97 PolarHBondContact O-N 2.97Å; L95-T97 VanDerWaalsContact O-N 3.12Å; L95-Y98 WeakPolarHBondContact O-CB 3.42Å; L95-Y98 PolarHBondContact O-N 3.49Å; L95-I115 HydrophobicContact CD1-CD1 4.04Å
96L81.7Confident78.7Confident16 Ų1659.8 Ų59.88%0.08430%0.304CS..Hα-helixtrans-59.8-25.1178.3-66.9174.9000112.9Y92 K93 Q94 Y98 I99 I112 T135 A138Y92-L96 HydrophobicContact CD1-CD1 3.89Å; Y92-L96 HydrophobicContact CD1-CG 4.18Å; Y92-L96 HydrophobicContact CE1-CD1 3.69Å; Y92-L96 HydrophobicContact CE1-CD2 3.94Å; Y92-L96 HydrophobicContact CE1-CG 3.94Å; Y92-L96 WeakPolarHBondContact O-CG 3.34Å; Y92-L96 PolarHBondContact O-N 2.91Å; K93-L96 PolarHBondContact O-N 3.36Å; Q94-L96 VanDerWaalsContact C-N 3.31Å; Q94-L96 PolarHBondContact O-N 3.14Å; L96-Y98 VanDerWaalsContact C-N 3.29Å; L96-Y98 PolarHBondContact O-N 3.43Å; L96-I99 HydrophobicContact CB-CD1 4.21Å; L96-I99 HydrophobicContact CD2-CD1 3.56Å; L96-I99 HydrophobicContact CG-CD1 4.49Å; L96-I99 WeakPolarHBondContact O-CB 3.19Å; L96-I99 WeakPolarHBondContact O-CD1 3.42Å; L96-I99 WeakPolarHBondContact O-CG1 3.44Å; L96-I99 PolarHBondContact O-N 2.89Å; L96-I112 HydrophobicContact CD2-CD1 4.47Å; L96-T135 HydrophobicContact CD2-CG2 4.44Å; L96-A138 HydrophobicContact CB-CB 3.84Å; L96-A138 HydrophobicContact CD1-CB 3.74Å; L96-A138 HydrophobicContact CD2-CB 4.14Å; L96-A138 HydrophobicContact CG-CB 4.11Å
97T83.1Confident78.5Confident69 Ų6958.5 Ų58.542%0.42329%0.288SS..THydrogen-bonded Turntrans-73.6-17.1177760000114.3K64 K93 Q94 L95K64-T97 VanDerWaalsContact NZ-CB 3.3Å; K64-T97 PolarHBondContact NZ-O 2.91Å; K64-T97 PolarHBondContact NZ-OG1 3.32Å; K93-T97 WeakPolarHBondContact O-CG2 3.39Å; Q94-T97 WeakPolarHBondContact O-CB 3.34Å; Q94-T97 PolarHBondContact O-N 3.39Å; Q94-T97 PolarHBondContact O-OG1 3.33Å; L95-T97 PolarHBondContact O-N 2.97Å; L95-T97 VanDerWaalsContact O-N 3.12Å
98Y77.9Confident78.3Confident18 Ų1855.9 Ų55.97%0.07128%0.275CS..THydrogen-bonded Turntrans-82.1-15.3179.1-73.4-106.4000112.4L58 K64 F69 L72 Q94 L95 L96 R100 A102L58-Y98 VanDerWaalsContact CD1-OH 3.25Å; L58-Y98 WeakPolarHBondContact CD1-OH 3.4Å; K64-Y98 HydrophobicContact CB-CD1 3.76Å; K64-Y98 HydrophobicContact CB-CE1 3.55Å; K64-Y98 HydrophobicContact CD-CD1 4.21Å; K64-Y98 HydrophobicContact CD-CD2 4.48Å; K64-Y98 HydrophobicContact CD-CE1 4.16Å; K64-Y98 HydrophobicContact CD-CE2 4.41Å; K64-Y98 HydrophobicContact CD-CG 4.35Å; K64-Y98 HydrophobicContact CG-CD1 4.22Å; K64-Y98 HydrophobicContact CG-CE1 3.78Å; F69-Y98 HydrophobicContact CB-CD1 4.42Å; F69-Y98 HydrophobicContact CD2-CG 4.28Å; L72-Y98 HydrophobicContact CD1-CD2 3.96Å; L72-Y98 HydrophobicContact CD1-CE2 3.48Å; L72-Y98 VanDerWaalsContact CD1-CE2 3.48Å; Q94-Y98 VanDerWaalsContact O-CD2 3.25Å; Q94-Y98 WeakPolarHBondContact O-CD2 3.46Å; L95-Y98 WeakPolarHBondContact O-CB 3.42Å; L95-Y98 PolarHBondContact O-N 3.49Å; L96-Y98 VanDerWaalsContact C-N 3.29Å; L96-Y98 PolarHBondContact O-N 3.43Å; Y98-R100 PolarHBondContact O-N 3.31Å; Y98-A102 HydrophobicContact CD1-CB 3.8Å; Y98-A102 HydrophobicContact CG-CB 4.48Å; Y98-A102 PolarHBondContact O-N 3.46Å
99I73.2Confident77.9Confident14 Ų1456.8 Ų56.87%0.07228%0.28CS..THydrogen-bonded Turntrans-61.5-29.3-176.5-60172.5000112.4L96 I112 A142L96-I99 HydrophobicContact CB-CD1 4.21Å; L96-I99 HydrophobicContact CD2-CD1 3.56Å; L96-I99 HydrophobicContact CG-CD1 4.49Å; L96-I99 WeakPolarHBondContact O-CB 3.19Å; L96-I99 WeakPolarHBondContact O-CD1 3.42Å; L96-I99 WeakPolarHBondContact O-CG1 3.44Å; L96-I99 PolarHBondContact O-N 2.89Å; I99-I112 HydrophobicContact CD1-CD1 3.65Å; I99-I112 HydrophobicContact CG1-CD1 4.4Å; I99-A142 HydrophobicContact CG2-CB 3.95Å
100R68.1Low77.9Confident165 Ų16564 Ų6462%0.62331%0.311SS*.THydrogen-bonded Turntrans-84-37-175.4-79.9-178.7168.9164.9-6.9114.6Y98 D141Y98-R100 PolarHBondContact O-N 3.31Å; R100-D141 IonicContact CZ-OD2 2.73Å; R100-D141 PolarHBondContact NE-O 3.31Å; R100-D141 IonicContact NH1-OD2 3.77Å; R100-D141 PolarHBondContact NH2-O 3.23Å; R100-D141 IonicContact NH2-OD1 3.23Å; R100-D141 IonicContact NH2-OD2 3.54Å; R100-D141 PolarHBondContact NH2-OD2 3.4Å
101S65.2Low77.7Confident92 Ų9260.4 Ų60.464%0.64329%0.291SS*.THydrogen-bonded Turntrans-127.7-24.9-159.861.10000115.4
102A61.4Low77.6Confident27 Ų2758.5 Ų58.522%0.22328%0.284CS..THydrogen-bonded Turntrans-112-27.7-165.100000114.1K64 Y98K64-A102 HydrophobicContact CB-CB 3.66Å; K64-A102 WeakPolarHBondContact O-CB 3.48Å; Y98-A102 HydrophobicContact CD1-CB 3.8Å; Y98-A102 HydrophobicContact CG-CB 4.48Å; Y98-A102 PolarHBondContact O-N 3.46Å
103V70.1Confident77.3Confident18 Ų1859.7 Ų59.711%0.10929%0.29CS..SBendtrans-130.6144-166.8177.60000110.2F69 Y107F69-V103 HydrophobicContact CB-CG2 3.69Å; F69-V103 HydrophobicContact CD1-CG1 4.49Å; F69-V103 HydrophobicContact CD1-CG2 4.38Å; F69-V103 HydrophobicContact CD2-CB 4.49Å; F69-V103 HydrophobicContact CD2-CG2 3.82Å; F69-V103 HydrophobicContact CG-CG2 3.71Å; V103-Y107 HydrophobicContact CG1-CD1 3.55Å; V103-Y107 HydrophobicContact CG1-CG 4.19Å
104T75.4Confident77.3Confident97 Ų9756.9 Ų56.960%0.59528%0.284SS*.  trans-61.7144176.968.20000111.1N106 Y107 S108T104-N106 PolarHBondContact O-N 2.99Å; T104-Y107 PolarHBondContact O-N 2.88Å; T104-Y107 VanDerWaalsContact O-N 3.14Å; T104-Y107 WeakPolarHBondContact OG1-CB 3.2Å; T104-Y107 PolarHBondContact OG1-N 2.86Å; T104-S108 PolarHBondContact O-N 2.95Å
105R73Confident77.2Confident172 Ų17253.6 Ų53.665%0.64927%0.268SS*.Hα-helixtrans-54.2-42-179.4-68178.9179.7169.1-0.3112S108 E109R105-S108 PolarHBondContact O-N 3.12Å; R105-S108 PolarHBondContact O-OG 3.15Å; R105-E109 WeakPolarHBondContact O-CB 3.48Å; R105-E109 PolarHBondContact O-N 3.27Å
106N77.3Confident77Confident120 Ų12053.6 Ų53.664%0.64227%0.268SS*.Hα-helixtrans-64.4-43.1179.6-69.5-15.9000112.7T104 E109 K110T104-N106 PolarHBondContact O-N 2.99Å; N106-E109 PolarHBondContact O-N 3.15Å; N106-K110 WeakPolarHBondContact O-CG 3.04Å; N106-K110 PolarHBondContact O-N 3.27Å
107Y79Confident77Confident67 Ų6756.7 Ų56.726%0.26329%0.285SS..Hα-helixtrans-69.1-38.6179.5-169.6-100.4000111.9F69 K70 V103 T104 S111F69-Y107 AromaticContact CD1-CD1 3.99Å; F69-Y107 HydrophobicContact CD1-CD1 3.99Å; F69-Y107 AromaticContact CD1-CE1 3.63Å; F69-Y107 HydrophobicContact CD1-CE1 3.63Å; F69-Y107 AromaticContact CE1-CD1 3.83Å; F69-Y107 HydrophobicContact CE1-CD1 3.83Å; F69-Y107 AromaticContact CE1-CE1 3.74Å; F69-Y107 HydrophobicContact CE1-CE1 3.74Å; K70-Y107 WeakPolarHBondContact CE-OH 3.22Å; K70-Y107 HydrophobicContact CG-CE1 4.48Å; K70-Y107 WeakPolarHBondContact CG-OH 3.45Å; V103-Y107 HydrophobicContact CG1-CD1 3.55Å; V103-Y107 HydrophobicContact CG1-CG 4.19Å; T104-Y107 PolarHBondContact O-N 2.88Å; T104-Y107 VanDerWaalsContact O-N 3.14Å; T104-Y107 WeakPolarHBondContact OG1-CB 3.2Å; T104-Y107 PolarHBondContact OG1-N 2.86Å; Y107-S111 WeakPolarHBondContact O-CB 3.28Å; Y107-S111 PolarHBondContact O-N 3.38Å; Y107-S111 PolarHBondContact O-OG 3.49Å
108S78.3Confident76.9Confident1 Ų158.3 Ų58.31%0.00728%0.284CS..Hα-helixtrans-63.7-41.2173.2730000112.1T104 R105 S111 I112T104-S108 PolarHBondContact O-N 2.95Å; R105-S108 PolarHBondContact O-N 3.12Å; R105-S108 PolarHBondContact O-OG 3.15Å; S108-S111 PolarHBondContact O-N 2.83Å; S108-I112 WeakPolarHBondContact O-CB 3.47Å; S108-I112 WeakPolarHBondContact O-CD1 3.37Å; S108-I112 VanDerWaalsContact O-CG1 3.25Å; S108-I112 WeakPolarHBondContact O-CG1 3.38Å; S108-I112 PolarHBondContact O-N 3.34Å
109E76.4Confident77Confident21 Ų2157.5 Ų57.510%0.09828%0.281CS..Hα-helixtrans-64.9-47.7177.6177.2172.4169.800112.1R105 N106 S111 I112 N113 L147R105-E109 WeakPolarHBondContact O-CB 3.48Å; R105-E109 PolarHBondContact O-N 3.27Å; N106-E109 PolarHBondContact O-N 3.15Å; E109-S111 VanDerWaalsContact C-N 3.3Å; E109-S111 PolarHBondContact O-N 3.34Å; E109-I112 PolarHBondContact O-N 3.39Å; E109-N113 WeakPolarHBondContact CG-ND2 3.39Å; E109-N113 WeakPolarHBondContact O-CB 3.26Å; E109-N113 PolarHBondContact O-N 3.12Å; E109-N113 PolarHBondContact O-ND2 3.44Å; E109-L147 HydrophobicContact CB-CD2 4.22Å; E109-L147 HydrophobicContact CG-CB 4.4Å; E109-L147 HydrophobicContact CG-CD1 4.12Å; E109-L147 HydrophobicContact CG-CD2 4.23Å; E109-L147 HydrophobicContact CG-CG 4.48Å
110K82Confident77Confident159 Ų15959.8 Ų59.869%0.69130%0.298SS*.Hα-helixtrans-58.7-43.8175.6-74.9-174.8178.3-174.20111.3N106 N113 S114N106-K110 WeakPolarHBondContact O-CG 3.04Å; N106-K110 PolarHBondContact O-N 3.27Å; K110-N113 PolarHBondContact O-N 3.27Å; K110-S114 VanDerWaalsContact O-CB 3.29Å; K110-S114 WeakPolarHBondContact O-CB 3.36Å; K110-S114 PolarHBondContact O-N 3.33Å
111S82.3Confident77.4Confident1 Ų157.5 Ų57.51%0.00730%0.303CS..Hα-helixtrans-69.1-41.1-178.3-64.50000112.7Y107 S108 E109 S114 I115Y107-S111 WeakPolarHBondContact O-CB 3.28Å; Y107-S111 PolarHBondContact O-N 3.38Å; Y107-S111 PolarHBondContact O-OG 3.49Å; S108-S111 PolarHBondContact O-N 2.83Å; E109-S111 VanDerWaalsContact C-N 3.3Å; E109-S111 PolarHBondContact O-N 3.34Å; S111-S114 PolarHBondContact O-N 3.45Å; S111-I115 WeakPolarHBondContact O-CB 3.4Å; S111-I115 WeakPolarHBondContact O-CD1 3.49Å; S111-I115 WeakPolarHBondContact O-CG1 3.47Å; S111-I115 PolarHBondContact O-N 3.05Å
112I83.3Confident77.7Confident0 Ų054.5 Ų54.50%028%0.282CS..Hα-helixtrans-64.4-45.3174.9-70.1164.9000110.6L96 I99 S108 E109 I115 L116 T135 L147L96-I112 HydrophobicContact CD2-CD1 4.47Å; I99-I112 HydrophobicContact CD1-CD1 3.65Å; I99-I112 HydrophobicContact CG1-CD1 4.4Å; S108-I112 WeakPolarHBondContact O-CB 3.47Å; S108-I112 WeakPolarHBondContact O-CD1 3.37Å; S108-I112 VanDerWaalsContact O-CG1 3.25Å; S108-I112 WeakPolarHBondContact O-CG1 3.38Å; S108-I112 PolarHBondContact O-N 3.34Å; E109-I112 PolarHBondContact O-N 3.39Å; I112-I115 PolarHBondContact O-N 3.08Å; I112-L116 HydrophobicContact CG2-CD1 3.7Å; I112-L116 HydrophobicContact CG2-CG 4.22Å; I112-L116 WeakPolarHBondContact O-CB 3.27Å; I112-L116 VanDerWaalsContact O-CG 3.27Å; I112-L116 WeakPolarHBondContact O-CG 3.41Å; I112-L116 PolarHBondContact O-N 3.12Å; I112-T135 HydrophobicContact CG2-CG2 3.96Å; I112-L147 HydrophobicContact CB-CD2 4.49Å; I112-L147 HydrophobicContact CD1-CD2 3.95Å; I112-L147 HydrophobicContact CG2-CD1 4.45Å; I112-L147 HydrophobicContact CG2-CD2 4.42Å
113N81.6Confident77.8Confident24 Ų2462.9 Ų62.913%0.12831%0.313CS..Hα-helixtrans-61.3-47.3177.2-74.7-42.3000111.4E109 K110 I115 L116 D117E109-N113 WeakPolarHBondContact CG-ND2 3.39Å; E109-N113 WeakPolarHBondContact O-CB 3.26Å; E109-N113 PolarHBondContact O-N 3.12Å; E109-N113 PolarHBondContact O-ND2 3.44Å; K110-N113 PolarHBondContact O-N 3.27Å; N113-I115 VanDerWaalsContact C-N 3.34Å; N113-I115 PolarHBondContact O-N 3.19Å; N113-L116 PolarHBondContact O-N 3.37Å; N113-D117 WeakPolarHBondContact O-CB 3.23Å; N113-D117 PolarHBondContact O-N 3.47Å
114S83.9Confident77.9Confident41 Ų4166.5 Ų66.529%0.28733%0.329SS..Hα-helixtrans-58.5-43.1176.4175.30000112.3K110 S111 Y118K110-S114 VanDerWaalsContact O-CB 3.29Å; K110-S114 WeakPolarHBondContact O-CB 3.36Å; K110-S114 PolarHBondContact O-N 3.33Å; S111-S114 PolarHBondContact O-N 3.45Å; S114-Y118 VanDerWaalsContact O-CB 3.26Å; S114-Y118 WeakPolarHBondContact O-CB 3.18Å; S114-Y118 PolarHBondContact O-N 3.05Å
115I83.4Confident77.7Confident3 Ų365.8 Ų65.82%0.01532%0.32CS..Hα-helixtrans-65.3-46.6176.2-70166.1000110.5K73 I76 Y92 L95 S111 I112 N113 D117 Y118 I119K73-I115 HydrophobicContact CG-CD1 4.32Å; I76-I115 HydrophobicContact CD1-CD1 4.23Å; I76-I115 HydrophobicContact CG2-CG2 4.06Å; Y92-I115 HydrophobicContact CD2-CG2 4.38Å; Y92-I115 HydrophobicContact CE2-CD1 4.47Å; Y92-I115 HydrophobicContact CE2-CG2 3.99Å; L95-I115 HydrophobicContact CD1-CD1 4.04Å; S111-I115 WeakPolarHBondContact O-CB 3.4Å; S111-I115 WeakPolarHBondContact O-CD1 3.49Å; S111-I115 WeakPolarHBondContact O-CG1 3.47Å; S111-I115 PolarHBondContact O-N 3.05Å; I112-I115 PolarHBondContact O-N 3.08Å; N113-I115 VanDerWaalsContact C-N 3.34Å; N113-I115 PolarHBondContact O-N 3.19Å; I115-D117 VanDerWaalsContact C-N 3.35Å; I115-D117 PolarHBondContact O-N 3.41Å; I115-Y118 PolarHBondContact O-N 3.25Å; I115-I119 HydrophobicContact CG2-CD1 3.44Å; I115-I119 VanDerWaalsContact CG2-CD1 3.44Å; I115-I119 HydrophobicContact CG2-CG1 4.18Å; I115-I119 WeakPolarHBondContact O-CG1 3.27Å; I115-I119 PolarHBondContact O-N 2.97Å
116L81.4Confident77.9Confident0 Ų062.7 Ų62.70%032%0.316CS..Hα-helixtrans-64.1-39.3-179.9-72.6173.1000112I112 N113 I119 S120 Y132 T151I112-L116 HydrophobicContact CG2-CD1 3.7Å; I112-L116 HydrophobicContact CG2-CG 4.22Å; I112-L116 WeakPolarHBondContact O-CB 3.27Å; I112-L116 VanDerWaalsContact O-CG 3.27Å; I112-L116 WeakPolarHBondContact O-CG 3.41Å; I112-L116 PolarHBondContact O-N 3.12Å; N113-L116 PolarHBondContact O-N 3.37Å; L116-I119 PolarHBondContact O-N 3.41Å; L116-S120 WeakPolarHBondContact O-CB 3.48Å; L116-S120 PolarHBondContact O-N 3.06Å; L116-Y132 HydrophobicContact CD1-CD1 4.41Å; L116-Y132 HydrophobicContact CD1-CE1 3.82Å; L116-Y132 HydrophobicContact CD2-CD1 4.25Å; L116-Y132 HydrophobicContact CD2-CE1 3.94Å; L116-Y132 HydrophobicContact CD2-CE2 4.35Å; L116-Y132 HydrophobicContact CG-CE1 4.36Å; L116-T151 HydrophobicContact CD1-CG2 4.48Å
117D80.9Confident78Confident82 Ų8258 Ų5844%0.43929%0.291SS..Hα-helixtrans-67.5-39.7176.4-66.2-27.6000110.6N113 I115 S120 T121 K154N113-D117 WeakPolarHBondContact O-CB 3.23Å; N113-D117 PolarHBondContact O-N 3.47Å; I115-D117 VanDerWaalsContact C-N 3.35Å; I115-D117 PolarHBondContact O-N 3.41Å; D117-S120 WeakPolarHBondContact O-CB 3.32Å; D117-S120 PolarHBondContact O-N 2.96Å; D117-T121 PolarHBondContact O-N 2.97Å; D117-T121 PolarHBondContact O-OG1 3.05Å; D117-K154 IonicContact OD1-NZ 3.9Å; D117-K154 PolarHBondContact OD1-NZ 3.5Å; D117-K154 IonicContact OD2-NZ 2.78Å
118Y80.4Confident78Confident102 Ų10255 Ų5540%0.428%0.279SS..Hα-helixtrans-66.1-41.3175.4-165.8-111.6000112.8K77 F80 S114 I115 S120 T121K77-Y118 HydrophobicContact CG-CE1 4.49Å; F80-Y118 HydrophobicContact CB-CE1 4.35Å; F80-Y118 AromaticContact CD1-CD1 3.73Å; F80-Y118 HydrophobicContact CD1-CD1 3.73Å; F80-Y118 AromaticContact CD1-CE1 3.31Å; F80-Y118 HydrophobicContact CD1-CE1 3.31Å; F80-Y118 HydrophobicContact CE1-CD1 4Å; F80-Y118 AromaticContact CE1-CE1 3.82Å; F80-Y118 HydrophobicContact CE1-CE1 3.82Å; F80-Y118 HydrophobicContact CG-CD1 4.34Å; F80-Y118 HydrophobicContact CG-CE1 4.14Å; S114-Y118 VanDerWaalsContact O-CB 3.26Å; S114-Y118 WeakPolarHBondContact O-CB 3.18Å; S114-Y118 PolarHBondContact O-N 3.05Å; I115-Y118 PolarHBondContact O-N 3.25Å; Y118-S120 VanDerWaalsContact C-N 3.34Å; Y118-T121 WeakPolarHBondContact O-CB 3.39Å; Y118-T121 PolarHBondContact O-N 2.9Å
119I80.6Confident78.2Confident1 Ų156 Ų561%0.00528%0.284CS..Hα-helixtrans-72.8-30.3176.3-59.6167.4000110.7F80 M88 I115 L116 T121 S122 L128 F131F80-I119 HydrophobicContact CD2-CG1 4.33Å; F80-I119 HydrophobicContact CE2-CB 4.34Å; F80-I119 HydrophobicContact CE2-CG1 4.29Å; F80-I119 HydrophobicContact CE2-CG2 4.13Å; M88-I119 HydrophobicContact CE-CD1 3.71Å; M88-I119 HydrophobicContact CE-CG1 3.77Å; I115-I119 HydrophobicContact CG2-CD1 3.44Å; I115-I119 VanDerWaalsContact CG2-CD1 3.44Å; I115-I119 HydrophobicContact CG2-CG1 4.18Å; I115-I119 WeakPolarHBondContact O-CG1 3.27Å; I115-I119 PolarHBondContact O-N 2.97Å; L116-I119 PolarHBondContact O-N 3.41Å; I119-T121 PolarHBondContact O-N 3.44Å; I119-S122 WeakPolarHBondContact O-CA 3.4Å; I119-S122 WeakPolarHBondContact O-CB 3.45Å; I119-S122 PolarHBondContact O-N 3.19Å; I119-L128 HydrophobicContact CB-CD1 4.26Å; I119-L128 HydrophobicContact CG2-CD1 3.79Å; I119-F131 HydrophobicContact CD1-CD1 3.95Å; I119-F131 HydrophobicContact CD1-CE1 4.02Å; I119-F131 HydrophobicContact CD1-CG 4.25Å; I119-F131 HydrophobicContact CD1-CZ 4.42Å
120S73.5Confident78.5Confident62 Ų6259.1 Ų59.143%0.43430%0.299SS..Hα-helixtrans-64-19.1176.3-167.60000113L116 D117 Y118L116-S120 WeakPolarHBondContact O-CB 3.48Å; L116-S120 PolarHBondContact O-N 3.06Å; D117-S120 WeakPolarHBondContact O-CB 3.32Å; D117-S120 PolarHBondContact O-N 2.96Å; Y118-S120 VanDerWaalsContact C-N 3.34Å
121T76.9Confident78.5Confident118 Ų11851.6 Ų51.672%0.72427%0.266SS*.THydrogen-bonded Turntrans-71.5-20.6169.7-50.30000112D117 Y118 I119D117-T121 PolarHBondContact O-N 2.97Å; D117-T121 PolarHBondContact O-OG1 3.05Å; Y118-T121 WeakPolarHBondContact O-CB 3.39Å; Y118-T121 PolarHBondContact O-N 2.9Å; I119-T121 PolarHBondContact O-N 3.44Å
122S70.7Confident78.6Confident28 Ų2851.7 Ų51.720%0.19627%0.266CS..SBendtrans-68.1139.9173-165.90000111.3I119 Q124I119-S122 WeakPolarHBondContact O-CA 3.4Å; I119-S122 WeakPolarHBondContact O-CB 3.45Å; I119-S122 PolarHBondContact O-N 3.19Å; S122-Q124 PolarHBondContact O-N 2.91Å; S122-Q124 PolarHBondContact OG-N 3.33Å
123K63.8Low78.7Confident204 Ų20455.1 Ų55.189%0.88728%0.282SS*.SBendtrans-77.2-4.4174.4-63.8-173.2177.8-177.80113.8M125K123-M125 PolarHBondContact O-N 3.45Å
124Q71.6Confident78.8Confident93 Ų9354.8 Ų54.844%0.43528%0.281SS..  trans-85.890.7-177.8-69.9-169.6-30.600111.9S122 D126 L127 L128S122-Q124 PolarHBondContact O-N 2.91Å; S122-Q124 PolarHBondContact OG-N 3.33Å; Q124-D126 PolarHBondContact O-N 3.09Å; Q124-L127 HydrophobicContact CB-CB 4.14Å; Q124-L127 PolarHBondContact O-N 3.36Å; Q124-L128 PolarHBondContact O-N 2.92Å
125M71.4Confident78.8Confident83 Ų8352.9 Ų52.941%0.40927%0.267SS..Hα-helixtrans-65.5-34.5-178.3-61.6-179.279.500113.6K123 L127 L128 Q129 E161K123-M125 PolarHBondContact O-N 3.45Å; M125-L127 VanDerWaalsContact C-N 3.34Å; M125-L127 PolarHBondContact O-N 3.19Å; M125-L128 PolarHBondContact O-N 3.36Å; M125-Q129 PolarHBondContact O-N 3.36Å; M125-E161 HydrophobicContact CE-CB 3.99Å
126D77.8Confident78.8Confident107 Ų10753.2 Ų53.257%0.57227%0.269SS*.Hα-helixtrans-65-39.4179-69.7-46.9000112.1Q124 E130 R162Q124-D126 PolarHBondContact O-N 3.09Å; D126-E130 PolarHBondContact O-N 3.42Å; D126-R162 IonicContact OD1-CZ 3.2Å; D126-R162 IonicContact OD1-NH1 2.73Å; D126-R162 PolarHBondContact OD1-NH1 3.26Å; D126-R162 IonicContact OD1-NH2 3.2Å; D126-R162 PolarHBondContact OD1-NH2 3.05Å
127L78.3Confident78.8Confident20 Ų2059.6 Ų59.611%0.10530%0.299CS..Hα-helixtrans-67.4-48.2176.6-173.275.2000110.5F85 Q124 M125 Q129 E130 F131F85-L127 HydrophobicContact CB-CD1 3.63Å; F85-L127 HydrophobicContact CB-CD2 3.93Å; F85-L127 HydrophobicContact CB-CG 4.42Å; F85-L127 HydrophobicContact CD1-CD1 4.48Å; F85-L127 HydrophobicContact CD1-CD2 3.15Å; F85-L127 HydrophobicContact CD1-CG 4.39Å; F85-L127 HydrophobicContact CE1-CD2 3.7Å; F85-L127 HydrophobicContact CG-CD1 4.2Å; F85-L127 HydrophobicContact CG-CD2 3.64Å; Q124-L127 HydrophobicContact CB-CB 4.14Å; Q124-L127 PolarHBondContact O-N 3.36Å; M125-L127 VanDerWaalsContact C-N 3.34Å; M125-L127 PolarHBondContact O-N 3.19Å; L127-Q129 PolarHBondContact O-N 2.94Å; L127-E130 PolarHBondContact O-N 2.73Å; L127-F131 HydrophobicContact CD1-CD2 4.28Å; L127-F131 HydrophobicContact CD1-CE2 3.82Å; L127-F131 HydrophobicContact CD2-CD2 4.4Å; L127-F131 HydrophobicContact CD2-CE2 3.93Å; L127-F131 HydrophobicContact CG-CD2 3.83Å; L127-F131 HydrophobicContact CG-CE2 3.64Å; L127-F131 VanDerWaalsContact O-CD2 3.31Å; L127-F131 WeakPolarHBondContact O-CD2 3.38Å; L127-F131 PolarHBondContact O-N 3.3Å
128L80.3Confident78.7Confident5 Ų556.9 Ų56.93%0.02629%0.288CS..Hα-helixtrans-56-40.9-179.6-172.762.7000111.2I119 Q124 M125 F131 Y132 L158I119-L128 HydrophobicContact CB-CD1 4.26Å; I119-L128 HydrophobicContact CG2-CD1 3.79Å; Q124-L128 PolarHBondContact O-N 2.92Å; M125-L128 PolarHBondContact O-N 3.36Å; L128-F131 PolarHBondContact O-N 3.02Å; L128-Y132 HydrophobicContact CD1-CD2 4Å; L128-Y132 HydrophobicContact CD1-CE2 3.5Å; L128-Y132 VanDerWaalsContact CD1-CE2 3.5Å; L128-Y132 HydrophobicContact CD2-CE2 4.12Å; L128-Y132 HydrophobicContact CG-CD2 3.82Å; L128-Y132 HydrophobicContact CG-CE2 3.55Å; L128-Y132 WeakPolarHBondContact O-CD2 3.45Å; L128-Y132 PolarHBondContact O-N 2.7Å; L128-L158 HydrophobicContact CD2-CD1 3.63Å; L128-L158 HydrophobicContact CD2-CD2 3.74Å; L128-L158 HydrophobicContact CD2-CG 4.35Å; L128-L158 HydrophobicContact CG-CD1 3.79Å
129Q80.8Confident78.5Confident22 Ų2252.1 Ų52.110%0.10327%0.27CS..Hα-helixtrans-57.6-48.9173.6171.2169.5-12.500112.6M125 L127 F131 Y132 E133 Y159M125-Q129 PolarHBondContact O-N 3.36Å; L127-Q129 PolarHBondContact O-N 2.94Å; Q129-F131 VanDerWaalsContact C-N 3.29Å; Q129-F131 PolarHBondContact O-N 3.49Å; Q129-Y132 PolarHBondContact O-N 2.99Å; Q129-E133 HydrophobicContact CG-CG 4.45Å; Q129-E133 WeakPolarHBondContact CG-OE1 3.43Å; Q129-E133 PolarHBondContact NE2-OE1 3.39Å; Q129-E133 WeakPolarHBondContact O-CG 3Å; Q129-E133 PolarHBondContact O-N 3.31Å; Q129-Y159 PolarHBondContact NE2-OH 2.73Å
130E83.1Confident78.2Confident87 Ų8757.6 Ų57.641%0.40729%0.293SS..Hα-helixtrans-62-38.6-179.9-154.1-167.1152.400111.4M89 D126 L127 E133 T134M89-E130 HydrophobicContact CE-CB 3.66Å; M89-E130 VanDerWaalsContact CE-CD 3.42Å; M89-E130 HydrophobicContact CE-CG 3.41Å; M89-E130 VanDerWaalsContact CE-CG 3.41Å; M89-E130 WeakPolarHBondContact CE-O 3.5Å; M89-E130 WeakPolarHBondContact CE-OE1 3.21Å; D126-E130 PolarHBondContact O-N 3.42Å; L127-E130 PolarHBondContact O-N 2.73Å; E130-E133 PolarHBondContact O-N 2.89Å; E130-T134 WeakPolarHBondContact O-CB 3.36Å; E130-T134 WeakPolarHBondContact O-CG2 3.42Å; E130-T134 PolarHBondContact O-N 3.34Å; E130-T134 PolarHBondContact O-OG1 3.27Å
131F83.2Confident78Confident0 Ų059.2 Ų59.20%030%0.297CS..Hα-helixtrans-61.6-48.5173.3-86.2-86.4000111.4M88 M89 Y92 I119 L127 L128 Q129 E133 T134 T135M88-F131 HydrophobicContact CB-CZ 4.33Å; M88-F131 HydrophobicContact CE-CZ 4.38Å; M88-F131 HydrophobicContact CG-CE1 4.36Å; M88-F131 HydrophobicContact CG-CZ 3.74Å; M88-F131 HydrophobicContact SD-CE1 4.31Å; M88-F131 HydrophobicContact SD-CE2 3.98Å; M88-F131 HydrophobicContact SD-CZ 3.47Å; M88-F131 WeakPolarHBondContact SD-CZ 3.37Å; M89-F131 HydrophobicContact CB-CZ 4.32Å; M89-F131 HydrophobicContact CE-CD2 4.28Å; M89-F131 HydrophobicContact CE-CE2 4.44Å; M89-F131 HydrophobicContact CE-CG 4.36Å; M89-F131 HydrophobicContact SD-CD1 4.43Å; M89-F131 HydrophobicContact SD-CE1 4.27Å; M89-F131 HydrophobicContact SD-CZ 4.37Å; Y92-F131 AromaticContact CD1-CD1 3.64Å; Y92-F131 HydrophobicContact CD1-CD1 3.64Å; Y92-F131 AromaticContact CD1-CE1 3.86Å; Y92-F131 HydrophobicContact CD1-CE1 3.86Å; Y92-F131 HydrophobicContact CD2-CD1 4.17Å; Y92-F131 HydrophobicContact CD2-CE1 4.02Å; Y92-F131 AromaticContact CE1-CD1 3.94Å; Y92-F131 HydrophobicContact CE1-CD1 3.94Å; Y92-F131 HydrophobicContact CE2-CD1 4.44Å; Y92-F131 AromaticContact CG-CD1 3.78Å; Y92-F131 HydrophobicContact CG-CD1 3.78Å; Y92-F131 AromaticContact CG-CE1 3.57Å; Y92-F131 HydrophobicContact CG-CE1 3.57Å; I119-F131 HydrophobicContact CD1-CD1 3.95Å; I119-F131 HydrophobicContact CD1-CE1 4.02Å; I119-F131 HydrophobicContact CD1-CG 4.25Å; I119-F131 HydrophobicContact CD1-CZ 4.42Å; L127-F131 HydrophobicContact CD1-CD2 4.28Å; L127-F131 HydrophobicContact CD1-CE2 3.82Å; L127-F131 HydrophobicContact CD2-CD2 4.4Å; L127-F131 HydrophobicContact CD2-CE2 3.93Å; L127-F131 HydrophobicContact CG-CD2 3.83Å; L127-F131 HydrophobicContact CG-CE2 3.64Å; L127-F131 VanDerWaalsContact O-CD2 3.31Å; L127-F131 WeakPolarHBondContact O-CD2 3.38Å; L127-F131 PolarHBondContact O-N 3.3Å; L128-F131 PolarHBondContact O-N 3.02Å; Q129-F131 VanDerWaalsContact C-N 3.29Å; Q129-F131 PolarHBondContact O-N 3.49Å; F131-E133 PolarHBondContact O-N 3.45Å; F131-T134 PolarHBondContact O-OG1 3.29Å; F131-T135 VanDerWaalsContact O-CB 3.31Å; F131-T135 WeakPolarHBondContact O-CB 3.11Å; F131-T135 PolarHBondContact O-N 3Å; F131-T135 PolarHBondContact O-OG1 3.08Å
132Y83.9Confident77.5Confident4 Ų454.5 Ų54.52%0.01627%0.27CS..Hα-helixtrans-61.2-43177.9-83.7-71.9000112.4L116 L128 Q129 T135 L136 T151 K154 L155 L158L116-Y132 HydrophobicContact CD1-CD1 4.41Å; L116-Y132 HydrophobicContact CD1-CE1 3.82Å; L116-Y132 HydrophobicContact CD2-CD1 4.25Å; L116-Y132 HydrophobicContact CD2-CE1 3.94Å; L116-Y132 HydrophobicContact CD2-CE2 4.35Å; L116-Y132 HydrophobicContact CG-CE1 4.36Å; L128-Y132 HydrophobicContact CD1-CD2 4Å; L128-Y132 HydrophobicContact CD1-CE2 3.5Å; L128-Y132 VanDerWaalsContact CD1-CE2 3.5Å; L128-Y132 HydrophobicContact CD2-CE2 4.12Å; L128-Y132 HydrophobicContact CG-CD2 3.82Å; L128-Y132 HydrophobicContact CG-CE2 3.55Å; L128-Y132 WeakPolarHBondContact O-CD2 3.45Å; L128-Y132 PolarHBondContact O-N 2.7Å; Q129-Y132 PolarHBondContact O-N 2.99Å; Y132-T135 PolarHBondContact O-N 2.94Å; Y132-L136 WeakPolarHBondContact O-CB 3.29Å; Y132-L136 WeakPolarHBondContact O-CD1 3.46Å; Y132-L136 WeakPolarHBondContact O-CG 3.37Å; Y132-L136 PolarHBondContact O-N 2.71Å; Y132-T151 HydrophobicContact CD1-CG2 3.55Å; Y132-T151 HydrophobicContact CE1-CG2 4.05Å; Y132-K154 HydrophobicContact CE1-CB 3.73Å; Y132-K154 HydrophobicContact CE1-CD 4.24Å; Y132-K154 VanDerWaalsContact OH-CD 3.31Å; Y132-K154 WeakPolarHBondContact OH-CD 3.46Å; Y132-L155 HydrophobicContact CD1-CB 4.42Å; Y132-L155 HydrophobicContact CG-CB 4.33Å; Y132-L155 HydrophobicContact CG-CD1 4.38Å; Y132-L158 HydrophobicContact CD2-CD1 3.47Å; Y132-L158 VanDerWaalsContact CD2-CD1 3.47Å; Y132-L158 HydrophobicContact CE2-CD1 3.44Å; Y132-L158 VanDerWaalsContact CE2-CD1 3.44Å
133E84.6Confident77.3Confident71 Ų7161.7 Ų61.733%0.33230%0.298SS..Hα-helixtrans-64-49179.1-72.7177.4-174.600112.1Q129 E130 F131 T135 L136 E137 L155 Y159Q129-E133 HydrophobicContact CG-CG 4.45Å; Q129-E133 WeakPolarHBondContact CG-OE1 3.43Å; Q129-E133 PolarHBondContact NE2-OE1 3.39Å; Q129-E133 WeakPolarHBondContact O-CG 3Å; Q129-E133 PolarHBondContact O-N 3.31Å; E130-E133 PolarHBondContact O-N 2.89Å; F131-E133 PolarHBondContact O-N 3.45Å; E133-T135 VanDerWaalsContact C-N 3.33Å; E133-T135 PolarHBondContact O-N 3.13Å; E133-L136 PolarHBondContact O-N 3.23Å; E133-E137 PolarHBondContact O-N 3.44Å; E133-L155 HydrophobicContact CG-CD2 4.4Å; E133-Y159 PolarHBondContact OE1-OH 2.97Å
134T84.9Confident77.6Confident18 Ų1853.3 Ų53.311%0.1126%0.263CS..Hα-helixtrans-63.7-37.7177.251.90000112.6M89 E130 F131 E137 A138M89-T134 HydrophobicContact CE-CG2 3.82Å; M89-T134 HydrophobicContact SD-CG2 4.11Å; E130-T134 WeakPolarHBondContact O-CB 3.36Å; E130-T134 WeakPolarHBondContact O-CG2 3.42Å; E130-T134 PolarHBondContact O-N 3.34Å; E130-T134 PolarHBondContact O-OG1 3.27Å; F131-T134 PolarHBondContact O-OG1 3.29Å; T134-E137 PolarHBondContact O-N 3.38Å; T134-A138 PolarHBondContact O-N 3.15Å
135T84.2Confident77.6Confident0 Ų054.5 Ų54.50%027%0.272CS..Hα-helixtrans-61-46.9173.2-50.80000110.5Y92 L96 I112 F131 Y132 E133 E137 A138 L139 T151Y92-T135 VanDerWaalsContact CE1-OG1 3.26Å; Y92-T135 WeakPolarHBondContact CE1-OG1 3.39Å; Y92-T135 WeakPolarHBondContact OH-CG2 3.32Å; Y92-T135 PolarHBondContact OH-OG1 3.36Å; L96-T135 HydrophobicContact CD2-CG2 4.44Å; I112-T135 HydrophobicContact CG2-CG2 3.96Å; F131-T135 VanDerWaalsContact O-CB 3.31Å; F131-T135 WeakPolarHBondContact O-CB 3.11Å; F131-T135 PolarHBondContact O-N 3Å; F131-T135 PolarHBondContact O-OG1 3.08Å; Y132-T135 PolarHBondContact O-N 2.94Å; E133-T135 VanDerWaalsContact C-N 3.33Å; E133-T135 PolarHBondContact O-N 3.13Å; T135-E137 PolarHBondContact O-N 3.33Å; T135-A138 PolarHBondContact O-N 3.17Å; T135-L139 HydrophobicContact CG2-CD1 3.67Å; T135-L139 HydrophobicContact CG2-CG 4.11Å; T135-L139 WeakPolarHBondContact O-CB 3.44Å; T135-L139 WeakPolarHBondContact O-CG 3.29Å; T135-L139 PolarHBondContact O-N 3.47Å; T135-T151 HydrophobicContact CG2-CG2 4.23Å
136L81.6Confident77.8Confident11 Ų1157.7 Ų57.76%0.05828%0.28CS..Hα-helixtrans-65.4-37.1-178-74.8167.7000112.8Y132 E133 L139 K140 T151 N152 L155Y132-L136 WeakPolarHBondContact O-CB 3.29Å; Y132-L136 WeakPolarHBondContact O-CD1 3.46Å; Y132-L136 WeakPolarHBondContact O-CG 3.37Å; Y132-L136 PolarHBondContact O-N 2.71Å; E133-L136 PolarHBondContact O-N 3.23Å; L136-L139 PolarHBondContact O-N 3.25Å; L136-K140 WeakPolarHBondContact O-CG 3.47Å; L136-K140 PolarHBondContact O-N 3.06Å; L136-T151 HydrophobicContact CD1-CG2 4.5Å; L136-T151 HydrophobicContact CD2-CG2 3.71Å; L136-T151 HydrophobicContact CG-CG2 3.79Å; L136-N152 WeakPolarHBondContact CD1-OD1 3.46Å; L136-N152 HydrophobicContact CD2-CB 4.39Å; L136-N152 WeakPolarHBondContact CD2-ND2 3.24Å; L136-N152 WeakPolarHBondContact CD2-OD1 3.5Å; L136-L155 HydrophobicContact CD1-CD2 3.46Å; L136-L155 VanDerWaalsContact CD1-CD2 3.46Å
137E82.2Confident77.7Confident133 Ų13352.6 Ų52.662%0.62125%0.253SS*.Hα-helixtrans-61-46.8173.5-73179.2174.800111.5E133 T134 T135 L139E133-E137 PolarHBondContact O-N 3.44Å; T134-E137 PolarHBondContact O-N 3.38Å; T135-E137 PolarHBondContact O-N 3.33Å; E137-L139 VanDerWaalsContact C-N 3.34Å; E137-L139 PolarHBondContact O-N 3.17Å
138A79.6Confident78Confident26 Ų2653.3 Ų53.322%0.21525%0.254CS..Hα-helixtrans-67.9-32.1176.600000113.3L96 T134 T135 D141 A142L96-A138 HydrophobicContact CB-CB 3.84Å; L96-A138 HydrophobicContact CD1-CB 3.74Å; L96-A138 HydrophobicContact CD2-CB 4.14Å; L96-A138 HydrophobicContact CG-CB 4.11Å; T134-A138 PolarHBondContact O-N 3.15Å; T135-A138 PolarHBondContact O-N 3.17Å; A138-D141 VanDerWaalsContact O-CB 3.31Å; A138-D141 WeakPolarHBondContact O-CB 3.4Å; A138-D141 PolarHBondContact O-N 3.09Å; A138-A142 PolarHBondContact O-N 3.06Å
139L75.9Confident78.1Confident2 Ų253.3 Ų53.31%0.0125%0.254CS..Hα-helixtrans-76.8-32.5-179.6-72.9175.9000113.8T135 L136 E137 D141 A142 K143 L147 T151T135-L139 HydrophobicContact CG2-CD1 3.67Å; T135-L139 HydrophobicContact CG2-CG 4.11Å; T135-L139 WeakPolarHBondContact O-CB 3.44Å; T135-L139 WeakPolarHBondContact O-CG 3.29Å; T135-L139 PolarHBondContact O-N 3.47Å; L136-L139 PolarHBondContact O-N 3.25Å; E137-L139 VanDerWaalsContact C-N 3.34Å; E137-L139 PolarHBondContact O-N 3.17Å; L139-D141 PolarHBondContact O-N 2.78Å; L139-A142 PolarHBondContact O-N 3.34Å; L139-K143 PolarHBondContact O-N 2.99Å; L139-L147 HydrophobicContact CD1-CD2 3.99Å; L139-L147 HydrophobicContact CD1-CG 3.71Å; L139-L147 HydrophobicContact CD2-CD2 3.54Å; L139-L147 HydrophobicContact CD2-CG 4.1Å; L139-L147 HydrophobicContact CG-CD2 4.42Å; L139-T151 HydrophobicContact CD1-CG2 4.49Å
140K73.1Confident78.2Confident115 Ų11556 Ų5650%0.527%0.265SS..Hα-helixtrans-54.1-38.4170.2-79.5174.3-178.2176.70110.9L136 A142L136-K140 WeakPolarHBondContact O-CG 3.47Å; L136-K140 PolarHBondContact O-N 3.06Å; K140-A142 VanDerWaalsContact C-N 3.34Å
141D69Low78.2Confident97 Ų9751.9 Ų51.952%0.51925%0.246SC..THydrogen-bonded Turntrans-76.1-18.9-178.7-103.630.2000113.8R100 A138 L139R100-D141 IonicContact CZ-OD2 2.73Å; R100-D141 PolarHBondContact NE-O 3.31Å; R100-D141 IonicContact NH1-OD2 3.77Å; R100-D141 PolarHBondContact NH2-O 3.23Å; R100-D141 IonicContact NH2-OD1 3.23Å; R100-D141 IonicContact NH2-OD2 3.54Å; R100-D141 PolarHBondContact NH2-OD2 3.4Å; A138-D141 VanDerWaalsContact O-CB 3.31Å; A138-D141 WeakPolarHBondContact O-CB 3.4Å; A138-D141 PolarHBondContact O-N 3.09Å; L139-D141 PolarHBondContact O-N 2.78Å
142A66.8Low78.4Confident19 Ų1952 Ų5216%0.15725%0.247CC..THydrogen-bonded Turntrans-101.8-5.5-177.400000114.3I99 A138 L139 K140 N144I99-A142 HydrophobicContact CG2-CB 3.95Å; A138-A142 PolarHBondContact O-N 3.06Å; L139-A142 PolarHBondContact O-N 3.34Å; K140-A142 VanDerWaalsContact C-N 3.34Å; A142-N144 VanDerWaalsContact C-N 3.31Å; A142-N144 PolarHBondContact O-N 3.49Å
143K67.5Low78.6Confident179 Ų17952.1 Ų52.178%0.77825%0.248SC*.THydrogen-bonded Turntrans50.442.9-178.8-62.5-171.5176.6-173.70114L139L139-K143 PolarHBondContact O-N 2.99Å
144N69.3Low78.6Confident28 Ų2851.6 Ų51.615%0.1524%0.244CC..  trans-101.288.6172.8-170.2-8.6000110.4A142 R146 L147 W148A142-N144 VanDerWaalsContact C-N 3.31Å; A142-N144 PolarHBondContact O-N 3.49Å; N144-R146 VanDerWaalsContact C-N 3.31Å; N144-R146 PolarHBondContact O-N 3.28Å; N144-L147 HydrophobicContact CB-CB 4.36Å; N144-L147 PolarHBondContact O-N 3.32Å; N144-W148 WeakPolarHBondContact O-CB 3.44Å; N144-W148 PolarHBondContact O-N 3.02Å
145D71.7Confident78.6Confident118 Ų11851 Ų5163%0.63124%0.24SC*.Hα-helixtrans-60.3-37.4-172.9-60.3-26.6000113.1F149D145-F149 VanDerWaalsContact O-CB 3.31Å; D145-F149 WeakPolarHBondContact O-CB 3.43Å; D145-F149 PolarHBondContact O-N 3.39Å
146R75.9Confident78.8Confident150 Ų15051 Ų5157%0.56624%0.24SC*.Hα-helixtrans-69-48.4-177.7-172.2-173.7-170.6-169.22.9111.9N144 F149 K150N144-R146 VanDerWaalsContact C-N 3.31Å; N144-R146 PolarHBondContact O-N 3.28Å; R146-F149 PolarHBondContact O-N 3.28Å; R146-K150 PolarHBondContact O-N 3.44Å; R146-K150 VanDerWaalsContact O-N 3.09Å
147L76.5Confident79.1Confident0 Ų055.6 Ų55.60%026%0.26CS..Hα-helixtrans-68.7-42179.1-178.156.3000110.4E109 I112 L139 N144 F149 K150 T151E109-L147 HydrophobicContact CB-CD2 4.22Å; E109-L147 HydrophobicContact CG-CB 4.4Å; E109-L147 HydrophobicContact CG-CD1 4.12Å; E109-L147 HydrophobicContact CG-CD2 4.23Å; E109-L147 HydrophobicContact CG-CG 4.48Å; I112-L147 HydrophobicContact CB-CD2 4.49Å; I112-L147 HydrophobicContact CD1-CD2 3.95Å; I112-L147 HydrophobicContact CG2-CD1 4.45Å; I112-L147 HydrophobicContact CG2-CD2 4.42Å; L139-L147 HydrophobicContact CD1-CD2 3.99Å; L139-L147 HydrophobicContact CD1-CG 3.71Å; L139-L147 HydrophobicContact CD2-CD2 3.54Å; L139-L147 HydrophobicContact CD2-CG 4.1Å; L139-L147 HydrophobicContact CG-CD2 4.42Å; N144-L147 HydrophobicContact CB-CB 4.36Å; N144-L147 PolarHBondContact O-N 3.32Å; L147-F149 VanDerWaalsContact C-N 3.31Å; L147-F149 PolarHBondContact O-N 3.31Å; L147-K150 PolarHBondContact O-N 3.15Å; L147-T151 VanDerWaalsContact O-CB 3.29Å; L147-T151 WeakPolarHBondContact O-CB 3.44Å; L147-T151 PolarHBondContact O-N 3.39Å; L147-T151 PolarHBondContact O-OG1 3.43Å
148W83.4Confident79.2Confident35 Ų3550.5 Ų50.513%0.13324%0.237CC..Hα-helixtrans-56.5-44.8174.6-179.787.6000112N144 N152 Q174 L175N144-W148 WeakPolarHBondContact O-CB 3.44Å; N144-W148 PolarHBondContact O-N 3.02Å; W148-N152 WeakPolarHBondContact CZ2-ND2 3.46Å; W148-N152 PolarHBondContact NE1-ND2 3.06Å; W148-N152 WeakPolarHBondContact O-CB 3.43Å; W148-N152 PolarHBondContact O-N 2.86Å; W148-N152 PolarHBondContact O-ND2 3.41Å; W148-N152 VanDerWaalsContact O-ND2 3.09Å; W148-Q174 HydrophobicContact CH2-CB 4.25Å; W148-Q174 HydrophobicContact CZ2-CB 4.39Å; W148-L175 HydrophobicContact CH2-CD2 4.23Å; W148-L175 HydrophobicContact CZ3-CD2 3.88Å
149F83.5Confident79.6Confident5 Ų549.7 Ų49.72%0.02223%0.228CC..Hα-helixtrans-61.2-53.7176.2-176-89.1000111.6D145 R146 L147 T151 N152 T153 L175 Q193 E196 I197D145-F149 VanDerWaalsContact O-CB 3.31Å; D145-F149 WeakPolarHBondContact O-CB 3.43Å; D145-F149 PolarHBondContact O-N 3.39Å; R146-F149 PolarHBondContact O-N 3.28Å; L147-F149 VanDerWaalsContact C-N 3.31Å; L147-F149 PolarHBondContact O-N 3.31Å; F149-T151 VanDerWaalsContact C-N 3.34Å; F149-T151 PolarHBondContact O-N 2.85Å; F149-N152 PolarHBondContact O-N 3.26Å; F149-T153 WeakPolarHBondContact CE1-OG1 3.38Å; F149-T153 PolarHBondContact O-N 3.33Å; F149-T153 PolarHBondContact O-OG1 2.94Å; F149-L175 HydrophobicContact CD2-CD2 3.67Å; F149-L175 HydrophobicContact CE2-CD2 3.9Å; F149-L175 HydrophobicContact CG-CD2 4.41Å; F149-Q193 HydrophobicContact CD1-CG 4.02Å; F149-Q193 HydrophobicContact CD2-CB 4.36Å; F149-Q193 HydrophobicContact CD2-CG 4.45Å; F149-Q193 HydrophobicContact CE1-CB 3.88Å; F149-Q193 HydrophobicContact CE1-CG 3.73Å; F149-Q193 HydrophobicContact CE2-CB 3.7Å; F149-Q193 HydrophobicContact CE2-CG 4.19Å; F149-Q193 HydrophobicContact CG-CG 4.4Å; F149-Q193 HydrophobicContact CZ-CB 3.45Å; F149-Q193 VanDerWaalsContact CZ-CB 3.45Å; F149-Q193 HydrophobicContact CZ-CG 3.85Å; F149-Q193 WeakPolarHBondContact CZ-O 3.37Å; F149-E196 WeakPolarHBondContact CE1-OE2 3.1Å; F149-E196 HydrophobicContact CZ-CB 4.36Å; F149-I197 HydrophobicContact CE2-CD1 3.88Å; F149-I197 HydrophobicContact CE2-CG1 3.96Å; F149-I197 HydrophobicContact CZ-CD1 4.41Å; F149-I197 HydrophobicContact CZ-CG1 4.08Å
150K82.3Confident80.1Confident78 Ų7850.8 Ų50.834%0.33923%0.234SC..Hα-helixtrans-57.8-44.8-179.9-76.7-178.4174.4-178.20112.7R146 L147 T153 K154R146-K150 PolarHBondContact O-N 3.44Å; R146-K150 VanDerWaalsContact O-N 3.09Å; L147-K150 PolarHBondContact O-N 3.15Å; K150-T153 PolarHBondContact O-N 3.29Å; K150-K154 WeakPolarHBondContact O-CG 3.44Å; K150-K154 PolarHBondContact O-N 3.44Å
151T84.1Confident80.7Confident1 Ų151.8 Ų51.81%0.00624%0.24CC..Hα-helixtrans-65.3-41.6-179.7-600000110.9L116 Y132 T135 L136 L139 L147 F149 K154 L155L116-T151 HydrophobicContact CD1-CG2 4.48Å; Y132-T151 HydrophobicContact CD1-CG2 3.55Å; Y132-T151 HydrophobicContact CE1-CG2 4.05Å; T135-T151 HydrophobicContact CG2-CG2 4.23Å; L136-T151 HydrophobicContact CD1-CG2 4.5Å; L136-T151 HydrophobicContact CD2-CG2 3.71Å; L136-T151 HydrophobicContact CG-CG2 3.79Å; L139-T151 HydrophobicContact CD1-CG2 4.49Å; L147-T151 VanDerWaalsContact O-CB 3.29Å; L147-T151 WeakPolarHBondContact O-CB 3.44Å; L147-T151 PolarHBondContact O-N 3.39Å; L147-T151 PolarHBondContact O-OG1 3.43Å; F149-T151 VanDerWaalsContact C-N 3.34Å; F149-T151 PolarHBondContact O-N 2.85Å; T151-K154 PolarHBondContact O-N 3.19Å; T151-L155 WeakPolarHBondContact O-CB 3.38Å; T151-L155 PolarHBondContact O-N 3.3Å
152N86.9Confident81.5Confident3 Ų352.2 Ų52.22%0.01624%0.235CC..Hα-helixtrans-65.9-40.8173.5-87.2-51.3000113L136 W148 F149 L155 G156 I171 L175L136-N152 WeakPolarHBondContact CD1-OD1 3.46Å; L136-N152 HydrophobicContact CD2-CB 4.39Å; L136-N152 WeakPolarHBondContact CD2-ND2 3.24Å; L136-N152 WeakPolarHBondContact CD2-OD1 3.5Å; W148-N152 WeakPolarHBondContact CZ2-ND2 3.46Å; W148-N152 PolarHBondContact NE1-ND2 3.06Å; W148-N152 WeakPolarHBondContact O-CB 3.43Å; W148-N152 PolarHBondContact O-N 2.86Å; W148-N152 PolarHBondContact O-ND2 3.41Å; W148-N152 VanDerWaalsContact O-ND2 3.09Å; F149-N152 PolarHBondContact O-N 3.26Å; N152-L155 PolarHBondContact O-N 2.99Å; N152-G156 PolarHBondContact O-N 3.06Å; N152-I171 HydrophobicContact CB-CG2 4.16Å; N152-L175 HydrophobicContact CB-CD1 4.23Å; N152-L175 HydrophobicContact CB-CD2 3.62Å; N152-L175 HydrophobicContact CB-CG 4.12Å
153T87.2Confident82.5Confident6 Ų657.9 Ų57.94%0.03726%0.258CS..Hα-helixtrans-62.5-42.8177.1-60.10000110.9F149 K150 G156 K157 L200F149-T153 WeakPolarHBondContact CE1-OG1 3.38Å; F149-T153 PolarHBondContact O-N 3.33Å; F149-T153 PolarHBondContact O-OG1 2.94Å; K150-T153 PolarHBondContact O-N 3.29Å; T153-G156 PolarHBondContact O-N 2.83Å; T153-K157 WeakPolarHBondContact O-CG 3.42Å; T153-K157 PolarHBondContact O-N 3.36Å; T153-L200 HydrophobicContact CG2-CD1 3.86Å
154K84.8Confident83.5Confident59 Ų5953.2 Ų53.226%0.25724%0.239SC..Hα-helixtrans-63.1-44.9173.7-73.4-171.9-178.6-178.30111.7D117 Y132 K150 T151 G156 K157 L158D117-K154 IonicContact OD1-NZ 3.9Å; D117-K154 PolarHBondContact OD1-NZ 3.5Å; D117-K154 IonicContact OD2-NZ 2.78Å; Y132-K154 HydrophobicContact CE1-CB 3.73Å; Y132-K154 HydrophobicContact CE1-CD 4.24Å; Y132-K154 VanDerWaalsContact OH-CD 3.31Å; Y132-K154 WeakPolarHBondContact OH-CD 3.46Å; K150-K154 WeakPolarHBondContact O-CG 3.44Å; K150-K154 PolarHBondContact O-N 3.44Å; T151-K154 PolarHBondContact O-N 3.19Å; K154-G156 VanDerWaalsContact C-N 3.28Å; K154-G156 PolarHBondContact O-N 2.9Å; K154-K157 WeakPolarHBondContact O-CB 3.39Å; K154-K157 PolarHBondContact O-N 3.25Å; K154-L158 PolarHBondContact O-N 2.94Å; K154-L158 VanDerWaalsContact O-N 3.09Å
155L85.7Confident84.5Confident5 Ų554.3 Ų54.33%0.02624%0.241CC..Hα-helixtrans-61.1-37.7174.9-178.658.8000112.1Y132 E133 L136 T151 N152 L158 Y159 I171Y132-L155 HydrophobicContact CD1-CB 4.42Å; Y132-L155 HydrophobicContact CG-CB 4.33Å; Y132-L155 HydrophobicContact CG-CD1 4.38Å; E133-L155 HydrophobicContact CG-CD2 4.4Å; L136-L155 HydrophobicContact CD1-CD2 3.46Å; L136-L155 VanDerWaalsContact CD1-CD2 3.46Å; T151-L155 WeakPolarHBondContact O-CB 3.38Å; T151-L155 PolarHBondContact O-N 3.3Å; N152-L155 PolarHBondContact O-N 2.99Å; L155-L158 PolarHBondContact O-N 3.2Å; L155-Y159 HydrophobicContact CD1-CD2 4.07Å; L155-Y159 HydrophobicContact CD1-CE2 3.64Å; L155-Y159 HydrophobicContact CD2-CE2 3.97Å; L155-Y159 HydrophobicContact CG-CD2 3.9Å; L155-Y159 HydrophobicContact CG-CE2 3.58Å; L155-Y159 VanDerWaalsContact O-CD2 3.31Å; L155-Y159 WeakPolarHBondContact O-CD2 3.36Å; L155-Y159 PolarHBondContact O-N 2.97Å; L155-I171 HydrophobicContact CD2-CD1 3.7Å; L155-I171 HydrophobicContact CG-CD1 3.85Å
156G88.5Confident85.4Confident0 Ų050.8 Ų50.80%023%0.233CC..Hα-helixtrans-61.3-42.4174.300000112.7N152 T153 K154 Y159 L160 L168N152-G156 PolarHBondContact O-N 3.06Å; T153-G156 PolarHBondContact O-N 2.83Å; K154-G156 VanDerWaalsContact C-N 3.28Å; K154-G156 PolarHBondContact O-N 2.9Å; G156-Y159 PolarHBondContact O-N 3.36Å; G156-L160 PolarHBondContact O-N 3.3Å; G156-L168 WeakPolarHBondContact O-CD1 3.22Å
157K86.8Confident85.9Confident109 Ų10947.9 Ų47.947%0.47422%0.224SC..Hα-helixtrans-61.9-41.4173.8-68.7176.1-177.4179.90112.1T153 K154 Y159 L160 E161 L200T153-K157 WeakPolarHBondContact O-CG 3.42Å; T153-K157 PolarHBondContact O-N 3.36Å; K154-K157 WeakPolarHBondContact O-CB 3.39Å; K154-K157 PolarHBondContact O-N 3.25Å; K157-Y159 VanDerWaalsContact C-N 3.35Å; K157-Y159 PolarHBondContact O-N 3.47Å; K157-L160 WeakPolarHBondContact O-CB 3.35Å; K157-L160 PolarHBondContact O-N 3.13Å; K157-E161 PolarHBondContact O-N 2.64Å; K157-L200 HydrophobicContact CG-CD2 3.65Å
158L85.4Confident86.5Confident26 Ų2647.9 Ų47.914%0.13622%0.224CC..Hα-helixtrans-63.1-40175-68.6173.3000112.5L128 Y132 K154 L155 L160 E161 R162L128-L158 HydrophobicContact CD2-CD1 3.63Å; L128-L158 HydrophobicContact CD2-CD2 3.74Å; L128-L158 HydrophobicContact CD2-CG 4.35Å; L128-L158 HydrophobicContact CG-CD1 3.79Å; Y132-L158 HydrophobicContact CD2-CD1 3.47Å; Y132-L158 VanDerWaalsContact CD2-CD1 3.47Å; Y132-L158 HydrophobicContact CE2-CD1 3.44Å; Y132-L158 VanDerWaalsContact CE2-CD1 3.44Å; K154-L158 PolarHBondContact O-N 2.94Å; K154-L158 VanDerWaalsContact O-N 3.09Å; L155-L158 PolarHBondContact O-N 3.2Å; L158-L160 VanDerWaalsContact C-N 3.32Å; L158-L160 PolarHBondContact O-N 3.31Å; L158-E161 PolarHBondContact O-N 3.39Å; L158-R162 PolarHBondContact O-N 2.87Å
159Y87.8Confident86.8Confident8 Ų849.2 Ų49.23%0.03123%0.232CC..Hα-helixtrans-67.7-31.4174.9-78.1-51.8000113.4Q129 E133 L155 G156 K157 R162 E163 E164 K167 I171Q129-Y159 PolarHBondContact NE2-OH 2.73Å; E133-Y159 PolarHBondContact OE1-OH 2.97Å; L155-Y159 HydrophobicContact CD1-CD2 4.07Å; L155-Y159 HydrophobicContact CD1-CE2 3.64Å; L155-Y159 HydrophobicContact CD2-CE2 3.97Å; L155-Y159 HydrophobicContact CG-CD2 3.9Å; L155-Y159 HydrophobicContact CG-CE2 3.58Å; L155-Y159 VanDerWaalsContact O-CD2 3.31Å; L155-Y159 WeakPolarHBondContact O-CD2 3.36Å; L155-Y159 PolarHBondContact O-N 2.97Å; G156-Y159 PolarHBondContact O-N 3.36Å; K157-Y159 VanDerWaalsContact C-N 3.35Å; K157-Y159 PolarHBondContact O-N 3.47Å; Y159-R162 PolarHBondContact O-N 3.1Å; Y159-E163 PolarHBondContact O-N 3.2Å; Y159-E163 VanDerWaalsContact O-N 3.17Å; Y159-E164 HydrophobicContact CD1-CB 3.76Å; Y159-E164 HydrophobicContact CE1-CB 4.45Å; Y159-E164 PolarHBondContact O-N 2.84Å; Y159-K167 HydrophobicContact CD1-CB 4.3Å; Y159-K167 HydrophobicContact CD2-CB 4.42Å; Y159-K167 HydrophobicContact CE1-CB 3.99Å; Y159-K167 HydrophobicContact CE1-CD 3.59Å; Y159-K167 HydrophobicContact CE1-CG 4.42Å; Y159-K167 HydrophobicContact CE2-CB 4.12Å; Y159-K167 HydrophobicContact CG-CB 4.5Å; Y159-K167 VanDerWaalsContact OH-CD 3.29Å; Y159-K167 WeakPolarHBondContact OH-CD 3.38Å; Y159-I171 HydrophobicContact CD2-CD1 3.55Å; Y159-I171 HydrophobicContact CE2-CD1 3.41Å; Y159-I171 VanDerWaalsContact CE2-CD1 3.41Å
160L86.9Confident87.1Confident25 Ų2555.1 Ų55.113%0.13126%0.258CS..Hα-helixtrans-63.6-45171.1-77.4170.6000111.4G156 K157 L158 R162 E163 L168 L200 Q203 M204G156-L160 PolarHBondContact O-N 3.3Å; K157-L160 WeakPolarHBondContact O-CB 3.35Å; K157-L160 PolarHBondContact O-N 3.13Å; L158-L160 VanDerWaalsContact C-N 3.32Å; L158-L160 PolarHBondContact O-N 3.31Å; L160-R162 VanDerWaalsContact C-N 3.29Å; L160-R162 PolarHBondContact O-N 3.39Å; L160-E163 PolarHBondContact O-N 3.43Å; L160-E163 VanDerWaalsContact O-N 3.15Å; L160-L168 HydrophobicContact CD1-CD2 4.48Å; L160-L168 HydrophobicContact CD2-CD2 3.28Å; L160-L168 HydrophobicContact CG-CD2 3.51Å; L160-L200 HydrophobicContact CD1-CD2 3.56Å; L160-Q203 HydrophobicContact CD1-CB 4.02Å; L160-Q203 HydrophobicContact CD2-CB 4.38Å; L160-M204 HydrophobicContact CD2-CB 3.85Å
161E85.7Confident87.4Confident137 Ų13752.1 Ų52.164%0.6425%0.245SC*.Hα-helixtrans-64.8-32.2177.4-70.3176.7-177.800112.7M125 K157 L158 E163M125-E161 HydrophobicContact CE-CB 3.99Å; K157-E161 PolarHBondContact O-N 2.64Å; L158-E161 PolarHBondContact O-N 3.39Å; E161-E163 VanDerWaalsContact C-N 3.3Å
162R85.4Confident87.6Confident105 Ų10552.1 Ų52.140%0.39625%0.245SC..THydrogen-bonded Turntrans-82.2-3.9175.9-162.2176178.6145.518.6113.7D126 L158 Y159 L160 E164D126-R162 IonicContact OD1-CZ 3.2Å; D126-R162 IonicContact OD1-NH1 2.73Å; D126-R162 PolarHBondContact OD1-NH1 3.26Å; D126-R162 IonicContact OD1-NH2 3.2Å; D126-R162 PolarHBondContact OD1-NH2 3.05Å; L158-R162 PolarHBondContact O-N 2.87Å; Y159-R162 PolarHBondContact O-N 3.1Å; L160-R162 VanDerWaalsContact C-N 3.29Å; L160-R162 PolarHBondContact O-N 3.39Å; R162-E164 HydrophobicContact CB-CB 4.43Å; R162-E164 HydrophobicContact CB-CG 4.29Å; R162-E164 HydrophobicContact CG-CG 3.88Å; R162-E164 PolarHBondContact O-N 3.45Å
163E86.3Confident87.7Confident138 Ų13859 Ų5965%0.64527%0.271SS*.THydrogen-bonded Turntrans58.124.5-173.5-54.6-173.9158.100114Y159 L160 E161 Y165Y159-E163 PolarHBondContact O-N 3.2Å; Y159-E163 VanDerWaalsContact O-N 3.17Å; L160-E163 PolarHBondContact O-N 3.43Å; L160-E163 VanDerWaalsContact O-N 3.15Å; E161-E163 VanDerWaalsContact C-N 3.3Å; E163-Y165 HydrophobicContact CB-CE2 4.28Å; E163-Y165 WeakPolarHBondContact O-CD2 3.37Å; E163-Y165 WeakPolarHBondContact O-CE2 3.41Å; E163-Y165 PolarHBondContact O-N 2.88Å; E163-Y165 VanDerWaalsContact O-N 3.13Å
164E89.3Confident87.6Confident81 Ų8162.2 Ų62.238%0.37929%0.286SS..  trans-90.271.3-177.3-85.1-74-172.800111.7Y159 R162 G166 L168Y159-E164 HydrophobicContact CD1-CB 3.76Å; Y159-E164 HydrophobicContact CE1-CB 4.45Å; Y159-E164 PolarHBondContact O-N 2.84Å; R162-E164 HydrophobicContact CB-CB 4.43Å; R162-E164 HydrophobicContact CB-CG 4.29Å; R162-E164 HydrophobicContact CG-CG 3.88Å; R162-E164 PolarHBondContact O-N 3.45Å; E164-G166 VanDerWaalsContact C-N 3.31Å; E164-G166 PolarHBondContact O-N 3.45Å; E164-L168 PolarHBondContact O-N 3.43Å
165Y89.8Confident87.7Confident51 Ų5159.4 Ų59.420%0.227%0.273CS..Hα-helixtrans-69.1-24.9-171.1-49.9-58.7000114.7E163 Q169 M204 A207 Q208E163-Y165 HydrophobicContact CB-CE2 4.28Å; E163-Y165 WeakPolarHBondContact O-CD2 3.37Å; E163-Y165 WeakPolarHBondContact O-CE2 3.41Å; E163-Y165 PolarHBondContact O-N 2.88Å; E163-Y165 VanDerWaalsContact O-N 3.13Å; Y165-Q169 WeakPolarHBondContact O-CG 3.42Å; Y165-Q169 PolarHBondContact O-N 3.23Å; Y165-M204 HydrophobicContact CD1-CG 3.76Å; Y165-M204 HydrophobicContact CG-CG 4.38Å; Y165-A207 HydrophobicContact CE1-CB 4.03Å; Y165-A207 VanDerWaalsContact OH-CB 3.29Å; Y165-A207 WeakPolarHBondContact OH-CB 3.47Å; Y165-Q208 HydrophobicContact CD2-CG 4.17Å; Y165-Q208 HydrophobicContact CE2-CG 4.38Å; Y165-Q208 HydrophobicContact CG-CG 4.33Å; Y165-Q208 VanDerWaalsContact CG-NE2 3.34Å
166G90.1Very high87.7Confident44 Ų4461.1 Ų61.145%0.45428%0.281SS..Hα-helixtrans-67.8-43.5-178.300000112.8E164E164-G166 VanDerWaalsContact C-N 3.31Å; E164-G166 PolarHBondContact O-N 3.45Å
167K87.4Confident87.4Confident90 Ų9067.4 Ų67.439%0.39131%0.311SS..Hα-helixtrans-71.8-39.7175.3-65.7-173.5-177.1179.60111Y159 Q169 K170 I171Y159-K167 HydrophobicContact CD1-CB 4.3Å; Y159-K167 HydrophobicContact CD2-CB 4.42Å; Y159-K167 HydrophobicContact CE1-CB 3.99Å; Y159-K167 HydrophobicContact CE1-CD 3.59Å; Y159-K167 HydrophobicContact CE1-CG 4.42Å; Y159-K167 HydrophobicContact CE2-CB 4.12Å; Y159-K167 HydrophobicContact CG-CB 4.5Å; Y159-K167 VanDerWaalsContact OH-CD 3.29Å; Y159-K167 WeakPolarHBondContact OH-CD 3.38Å; K167-Q169 VanDerWaalsContact C-N 3.34Å; K167-Q169 PolarHBondContact O-N 2.94Å; K167-K170 WeakPolarHBondContact O-CB 3.47Å; K167-K170 PolarHBondContact O-N 3.03Å; K167-I171 PolarHBondContact O-N 2.95Å
168L89.8Confident87.1Confident0 Ų064 Ų640%030%0.3CS..Hα-helixtrans-56.6-44.8175.8-177.559.6000112.6G156 L160 E164 K170 I171 L172 M204G156-L168 WeakPolarHBondContact O-CD1 3.22Å; L160-L168 HydrophobicContact CD1-CD2 4.48Å; L160-L168 HydrophobicContact CD2-CD2 3.28Å; L160-L168 HydrophobicContact CG-CD2 3.51Å; E164-L168 PolarHBondContact O-N 3.43Å; L168-K170 PolarHBondContact O-N 3.33Å; L168-I171 PolarHBondContact O-N 3.01Å; L168-I171 VanDerWaalsContact O-N 3.11Å; L168-L172 HydrophobicContact CD1-CD1 4.19Å; L168-L172 HydrophobicContact CD1-CG 4.2Å; L168-L172 HydrophobicContact CD2-CD1 4.47Å; L168-L172 HydrophobicContact CG-CD1 3.79Å; L168-L172 HydrophobicContact CG-CG 4.3Å; L168-L172 WeakPolarHBondContact O-CG 3.36Å; L168-L172 PolarHBondContact O-N 3.28Å; L168-M204 HydrophobicContact CB-SD 4.43Å; L168-M204 HydrophobicContact CD2-CB 3.85Å; L168-M204 HydrophobicContact CD2-CG 3.83Å; L168-M204 HydrophobicContact CD2-SD 3.8Å; L168-M204 HydrophobicContact CG-SD 4.04Å
169Q89.6Confident86.6Confident62 Ų6262.8 Ų62.829%0.2929%0.294SS..Hα-helixtrans-61.6-26.9175.9-77.8178.56.900114Y165 K167 R173 M204Y165-Q169 WeakPolarHBondContact O-CG 3.42Å; Y165-Q169 PolarHBondContact O-N 3.23Å; K167-Q169 VanDerWaalsContact C-N 3.34Å; K167-Q169 PolarHBondContact O-N 2.94Å; Q169-R173 WeakPolarHBondContact O-CG 3.13Å; Q169-R173 PolarHBondContact O-N 3.44Å; Q169-R173 PolarHBondContact O-NE 2.98Å; Q169-M204 HydrophobicContact CG-CE 3.86Å; Q169-M204 HydrophobicContact CG-SD 3.59Å; Q169-M204 VanDerWaalsContact CG-SD 3.59Å
170K89.9Confident86.1Confident130 Ų13065.5 Ų65.557%0.56531%0.307SS*.Hα-helixtrans-73.7-41.7174.6-66.7179.8-178.2178.60110.6K167 L168 R173 Q174K167-K170 WeakPolarHBondContact O-CB 3.47Å; K167-K170 PolarHBondContact O-N 3.03Å; L168-K170 PolarHBondContact O-N 3.33Å; K170-R173 PolarHBondContact O-N 3.28Å; K170-Q174 WeakPolarHBondContact O-CG 3.45Å; K170-Q174 PolarHBondContact O-N 3.18Å
171I87.9Confident85.2Confident15 Ų1566.8 Ų66.88%0.07732%0.316CS..Hα-helixtrans-66.3-46.7178-68.7169.2000110.6N152 L155 Y159 K167 L168 R173 Q174 L175N152-I171 HydrophobicContact CB-CG2 4.16Å; L155-I171 HydrophobicContact CD2-CD1 3.7Å; L155-I171 HydrophobicContact CG-CD1 3.85Å; Y159-I171 HydrophobicContact CD2-CD1 3.55Å; Y159-I171 HydrophobicContact CE2-CD1 3.41Å; Y159-I171 VanDerWaalsContact CE2-CD1 3.41Å; K167-I171 PolarHBondContact O-N 2.95Å; L168-I171 PolarHBondContact O-N 3.01Å; L168-I171 VanDerWaalsContact O-N 3.11Å; I171-R173 VanDerWaalsContact C-N 3.29Å; I171-R173 PolarHBondContact O-N 3.2Å; I171-Q174 WeakPolarHBondContact O-CB 3.39Å; I171-Q174 PolarHBondContact O-N 3.09Å; I171-L175 HydrophobicContact CG2-CD1 3.84Å; I171-L175 HydrophobicContact CG2-CG 4.17Å; I171-L175 WeakPolarHBondContact O-CG 3.41Å; I171-L175 PolarHBondContact O-N 3.37Å
172L89Confident83.9Confident1 Ų168.8 Ų68.81%0.00533%0.331CS..Hα-helixtrans-58.4-40.7177.9-70.6165.1000112.1L168 Q174 L175 H176 I197 L200 E201 M204L168-L172 HydrophobicContact CD1-CD1 4.19Å; L168-L172 HydrophobicContact CD1-CG 4.2Å; L168-L172 HydrophobicContact CD2-CD1 4.47Å; L168-L172 HydrophobicContact CG-CD1 3.79Å; L168-L172 HydrophobicContact CG-CG 4.3Å; L168-L172 WeakPolarHBondContact O-CG 3.36Å; L168-L172 PolarHBondContact O-N 3.28Å; L172-Q174 PolarHBondContact O-N 2.91Å; L172-L175 PolarHBondContact O-N 3.49Å; L172-H176 VanDerWaalsContact O-CB 3.28Å; L172-H176 WeakPolarHBondContact O-CB 3.42Å; L172-H176 PolarHBondContact O-N 3.38Å; L172-I197 HydrophobicContact CD2-CG2 4.02Å; L172-L200 HydrophobicContact CD2-CB 3.94Å; L172-E201 HydrophobicContact CB-CG 4.41Å; L172-E201 HydrophobicContact CD1-CG 3.79Å; L172-E201 HydrophobicContact CD2-CG 3.68Å; L172-E201 HydrophobicContact CG-CG 4.14Å; L172-M204 HydrophobicContact CD1-CE 3.81Å; L172-M204 HydrophobicContact CD1-SD 3.91Å
173R88.2Confident82.4Confident147 Ų14771 Ų7156%0.55535%0.35SS*.Hα-helixtrans-61.3-42.1173.7-82-177.3-77.8173.7-9.3112.8Q169 K170 I171 Q177Q169-R173 WeakPolarHBondContact O-CG 3.13Å; Q169-R173 PolarHBondContact O-N 3.44Å; Q169-R173 PolarHBondContact O-NE 2.98Å; K170-R173 PolarHBondContact O-N 3.28Å; I171-R173 VanDerWaalsContact C-N 3.29Å; I171-R173 PolarHBondContact O-N 3.2Å; R173-Q177 WeakPolarHBondContact O-CB 3.29Å; R173-Q177 VanDerWaalsContact O-CG 3.26Å; R173-Q177 WeakPolarHBondContact O-CG 3.31Å; R173-Q177 PolarHBondContact O-N 3.07Å
174Q86.3Confident81.2Confident74 Ų7466.5 Ų66.535%0.34634%0.342SS..Hα-helixtrans-66.9-42.3177-70.2174.92.500111.6W148 K170 I171 L172 Q177 S178W148-Q174 HydrophobicContact CH2-CB 4.25Å; W148-Q174 HydrophobicContact CZ2-CB 4.39Å; K170-Q174 WeakPolarHBondContact O-CG 3.45Å; K170-Q174 PolarHBondContact O-N 3.18Å; I171-Q174 WeakPolarHBondContact O-CB 3.39Å; I171-Q174 PolarHBondContact O-N 3.09Å; L172-Q174 PolarHBondContact O-N 2.91Å; Q174-Q177 PolarHBondContact O-N 3.21Å; Q174-S178 PolarHBondContact O-N 3.45Å; Q174-S178 VanDerWaalsContact O-N 3.07Å
175L86Confident80.1Confident0 Ų069.7 Ų69.70%036%0.356CS..Hα-helixtrans-63-45.7176.5-74.1176.1000111.3W148 F149 N152 I171 L172 S178 C179 I197W148-L175 HydrophobicContact CH2-CD2 4.23Å; W148-L175 HydrophobicContact CZ3-CD2 3.88Å; F149-L175 HydrophobicContact CD2-CD2 3.67Å; F149-L175 HydrophobicContact CE2-CD2 3.9Å; F149-L175 HydrophobicContact CG-CD2 4.41Å; N152-L175 HydrophobicContact CB-CD1 4.23Å; N152-L175 HydrophobicContact CB-CD2 3.62Å; N152-L175 HydrophobicContact CB-CG 4.12Å; I171-L175 HydrophobicContact CG2-CD1 3.84Å; I171-L175 HydrophobicContact CG2-CG 4.17Å; I171-L175 WeakPolarHBondContact O-CG 3.41Å; I171-L175 PolarHBondContact O-N 3.37Å; L172-L175 PolarHBondContact O-N 3.49Å; L175-S178 WeakPolarHBondContact O-CB 3.42Å; L175-S178 PolarHBondContact O-N 2.66Å; L175-S178 VanDerWaalsContact O-N 3.14Å; L175-S178 PolarHBondContact O-OG 3.18Å; L175-C179 PolarHBondContact O-N 3.19Å; L175-I197 HydrophobicContact CB-CD1 3.79Å; L175-I197 HydrophobicContact CB-CG1 3.92Å; L175-I197 HydrophobicContact CD1-CG1 4.45Å
176H84.9Confident78.9Confident40 Ų4070 Ų7019%0.18536%0.361CS..Hα-helixtrans-63.6-44178.7-164.571.6000111.4L172 S178 C179 Q180 D186 Y198L172-H176 VanDerWaalsContact O-CB 3.28Å; L172-H176 WeakPolarHBondContact O-CB 3.42Å; L172-H176 PolarHBondContact O-N 3.38Å; H176-S178 VanDerWaalsContact C-N 3.25Å; H176-S178 PolarHBondContact O-N 2.69Å; H176-C179 CarbonylContact O-C 3.57Å; H176-C179 PolarHBondContact O-N 3.46Å; H176-Q180 PolarHBondContact CD2-NE2 3.33Å; H176-Q180 PolarHBondContact NE2-NE2 3.32Å; H176-Q180 WeakPolarHBondContact O-CG 3.47Å; H176-Q180 PolarHBondContact O-N 2.9Å; H176-Q180 VanDerWaalsContact O-N 3.11Å; H176-D186 IonicContact CE1-OD1 2.75Å; H176-D186 IonicContact NE2-OD1 3.88Å; H176-Y198 AromaticContact CE1-CE1 3.93Å; H176-Y198 PolarHBondContact CE1-OH 2.92Å
177Q83.6Confident77.7Confident133 Ų13369.6 Ų69.662%0.62135%0.349SS*.Hα-helixtrans-58.3-35172.9-76.4176.3-7.600113.1R173 Q174 C179 Q180R173-Q177 WeakPolarHBondContact O-CB 3.29Å; R173-Q177 VanDerWaalsContact O-CG 3.26Å; R173-Q177 WeakPolarHBondContact O-CG 3.31Å; R173-Q177 PolarHBondContact O-N 3.07Å; Q174-Q177 PolarHBondContact O-N 3.21Å; Q177-C179 PolarHBondContact O-N 2.8Å; Q177-Q180 PolarHBondContact O-N 3.15Å
178S80.3Confident76.6Confident36 Ų3671 Ų7125%0.25236%0.36SS..Hα-helixtrans-71.6-18.1177.879.50000114Q174 L175 H176 K190Q174-S178 PolarHBondContact O-N 3.45Å; Q174-S178 VanDerWaalsContact O-N 3.07Å; L175-S178 WeakPolarHBondContact O-CB 3.42Å; L175-S178 PolarHBondContact O-N 2.66Å; L175-S178 VanDerWaalsContact O-N 3.14Å; L175-S178 PolarHBondContact O-OG 3.18Å; H176-S178 VanDerWaalsContact C-N 3.25Å; H176-S178 PolarHBondContact O-N 2.69Å; S178-K190 PolarHBondContact O-NZ 3.4Å
179C75.1Confident75.5Confident1 Ų180.3 Ų80.31%0.00740%0.401CS..Hα-helixtrans-102.7-3.8178.8-66.30000112.9L175 H176 Q177 D187 L194 I197L175-C179 PolarHBondContact O-N 3.19Å; H176-C179 CarbonylContact O-C 3.57Å; H176-C179 PolarHBondContact O-N 3.46Å; Q177-C179 PolarHBondContact O-N 2.8Å; C179-D187 VanDerWaalsContact O-CB 3.26Å; C179-D187 WeakPolarHBondContact O-CB 3.24Å; C179-D187 PolarHBondContact O-N 2.94Å; C179-L194 HydrophobicContact CB-CD1 4.12Å; C179-I197 HydrophobicContact CB-CD1 4.28Å
180Q77.1Confident74.6Confident66 Ų6680.6 Ų80.631%0.30840%0.401SS..BIsolated β-bridgetrans-86.4144.1171.1-72.8175.7-20.300110H176 Q177H176-Q180 PolarHBondContact CD2-NE2 3.33Å; H176-Q180 PolarHBondContact NE2-NE2 3.32Å; H176-Q180 WeakPolarHBondContact O-CG 3.47Å; H176-Q180 PolarHBondContact O-N 2.9Å; H176-Q180 VanDerWaalsContact O-N 3.11Å; Q177-Q180 PolarHBondContact O-N 3.15Å
181T67.8Low73.9Confident51 Ų5174.5 Ų74.531%0.31338%0.375SS..  trans-72165.8170.555.40000110.7D183 G184 E185 D187T181-D183 PolarHBondContact O-N 3.48Å; T181-D183 VanDerWaalsContact O-N 3.08Å; T181-G184 PolarHBondContact O-N 3Å; T181-E185 WeakPolarHBondContact CB-O 3.22Å; T181-E185 PolarHBondContact N-O 3.04Å; T181-E185 PolarHBondContact OG1-N 3.28Å; T181-E185 PolarHBondContact OG1-O 3Å; T181-D187 HydrophobicContact CG2-CB 3.79Å
182D57.8Low73.7Confident179 Ų17976.4 Ų76.496%0.95739%0.387SS*.THydrogen-bonded Turntrans-59-21177.5-72.4-26.4000112.9G184D182-G184 VanDerWaalsContact C-N 3.34Å
183D54.5Low73.4Confident151 Ų15178.9 Ų78.981%0.80740%0.399SS*.THydrogen-bonded Turntrans-86-2175.3-64.2-43.4000113.5T181T181-D183 PolarHBondContact O-N 3.48Å; T181-D183 VanDerWaalsContact O-N 3.08Å
184G61.8Low73.3Confident45 Ų4571.9 Ų71.946%0.46437%0.373SS..SBendtrans83.24.3179.300000115.2T181 D182T181-G184 PolarHBondContact O-N 3Å; D182-G184 VanDerWaalsContact C-N 3.34Å
185E64.9Low73.3Confident147 Ų14768.5 Ų68.569%0.68736%0.357SS*.SBendtrans-89.3149.5174-65.6-168.416400111.7T181 D187T181-E185 WeakPolarHBondContact CB-O 3.22Å; T181-E185 PolarHBondContact N-O 3.04Å; T181-E185 PolarHBondContact OG1-N 3.28Å; T181-E185 PolarHBondContact OG1-O 3Å; E185-D187 PolarHBondContact O-N 3.41Å
186D64.5Low73.4Confident57 Ų5771.2 Ų71.231%0.30537%0.37SS..BIsolated β-bridgetrans-61.5123.8179.2-73.4-15.2000111.7H176 L188 L194 Y198H176-D186 IonicContact CE1-OD1 2.75Å; H176-D186 IonicContact NE2-OD1 3.88Å; D186-L188 PolarHBondContact O-N 3.31Å; D186-L188 VanDerWaalsContact O-N 3.08Å; D186-L194 HydrophobicContact CB-CD2 3.62Å; D186-Y198 PolarHBondContact OD2-OH 3.49Å; D186-Y198 VanDerWaalsContact OD2-OH 3.06Å
187D66Low73.6Confident37 Ų3769.3 Ų69.320%0.19836%0.361CS..  trans-72.7104.5178.3-174.1-2.2000110.7C179 T181 E185 K189 K190 G191C179-D187 VanDerWaalsContact O-CB 3.26Å; C179-D187 WeakPolarHBondContact O-CB 3.24Å; C179-D187 PolarHBondContact O-N 2.94Å; T181-D187 HydrophobicContact CG2-CB 3.79Å; E185-D187 PolarHBondContact O-N 3.41Å; D187-K189 PolarHBondContact O-N 3.15Å; D187-K189 VanDerWaalsContact O-N 3.12Å; D187-K189 VanDerWaalsContact OD1-CB 3.26Å; D187-K189 WeakPolarHBondContact OD1-CB 3.33Å; D187-K189 PolarHBondContact OD1-N 3.42Å; D187-K190 HydrophobicContact CB-CB 4.46Å; D187-K190 CarbonylContact O-C 3.55Å; D187-K190 PolarHBondContact O-N 3.47Å; D187-G191 PolarHBondContact O-N 3.08Å
188L63Low73.9Confident118 Ų11863.1 Ų63.162%0.61833%0.332SS*.G310 helixtrans-58.2-24.7177.4-65.3170.4000113D186 K190 G191D186-L188 PolarHBondContact O-N 3.31Å; D186-L188 VanDerWaalsContact O-N 3.08Å; L188-K190 VanDerWaalsContact C-N 3.27Å; L188-K190 PolarHBondContact O-N 2.88Å; L188-G191 PolarHBondContact O-N 2.8Å
189K66.7Low74.4Confident197 Ų19761.7 Ų61.786%0.85732%0.322SS*.G310 helixtrans-70.3-25.1175.5-61.4176.4-178.6171.30112.3D187D187-K189 PolarHBondContact O-N 3.15Å; D187-K189 VanDerWaalsContact O-N 3.12Å; D187-K189 VanDerWaalsContact OD1-CB 3.26Å; D187-K189 WeakPolarHBondContact OD1-CB 3.33Å; D187-K189 PolarHBondContact OD1-N 3.42Å
190K71.8Confident75.1Confident67 Ų6761.9 Ų61.929%0.29132%0.323SS..G310 helixtrans-99.718.9174.3-64-177.7-1751790112.2S178 D187 L188 T192 Q193 L194S178-K190 PolarHBondContact O-NZ 3.4Å; D187-K190 HydrophobicContact CB-CB 4.46Å; D187-K190 CarbonylContact O-C 3.55Å; D187-K190 PolarHBondContact O-N 3.47Å; L188-K190 VanDerWaalsContact C-N 3.27Å; L188-K190 PolarHBondContact O-N 2.88Å; K190-T192 PolarHBondContact O-N 2.84Å; K190-T192 VanDerWaalsContact O-N 3.1Å; K190-Q193 HydrophobicContact CB-CB 4.48Å; K190-Q193 WeakPolarHBondContact O-CA 3.45Å; K190-Q193 WeakPolarHBondContact O-CB 3.48Å; K190-Q193 PolarHBondContact O-N 3.01Å; K190-L194 PolarHBondContact O-N 3.41Å
191G75.3Confident75.8Confident2 Ų260 Ų602%0.02131%0.314CS..Hα-helixtrans-53.3-35.4-176.300000114.6D187 L188 L194 L195D187-G191 PolarHBondContact O-N 3.08Å; L188-G191 PolarHBondContact O-N 2.8Å; G191-L194 PolarHBondContact O-N 2.96Å; G191-L195 WeakPolarHBondContact O-CG 3.42Å; G191-L195 PolarHBondContact O-N 2.69Å
192T82.1Confident76.9Confident55 Ų5557.7 Ų57.734%0.33730%0.3SS..Hα-helixtrans-64.4-42.7175.3-55.10000112.4K190 L194 L195 E196K190-T192 PolarHBondContact O-N 2.84Å; K190-T192 VanDerWaalsContact O-N 3.1Å; T192-L194 VanDerWaalsContact C-N 3.34Å; T192-L195 PolarHBondContact O-N 2.94Å; T192-E196 PolarHBondContact O-N 3.45Å
193Q83.3Confident78.5Confident53 Ų5352.1 Ų52.125%0.24827%0.268CS..Hα-helixtrans-67-39.1176-71.5179.9-18.800110.9F149 K190 L195 E196 I197F149-Q193 HydrophobicContact CD1-CG 4.02Å; F149-Q193 HydrophobicContact CD2-CB 4.36Å; F149-Q193 HydrophobicContact CD2-CG 4.45Å; F149-Q193 HydrophobicContact CE1-CB 3.88Å; F149-Q193 HydrophobicContact CE1-CG 3.73Å; F149-Q193 HydrophobicContact CE2-CB 3.7Å; F149-Q193 HydrophobicContact CE2-CG 4.19Å; F149-Q193 HydrophobicContact CG-CG 4.4Å; F149-Q193 HydrophobicContact CZ-CB 3.45Å; F149-Q193 VanDerWaalsContact CZ-CB 3.45Å; F149-Q193 HydrophobicContact CZ-CG 3.85Å; F149-Q193 WeakPolarHBondContact CZ-O 3.37Å; K190-Q193 HydrophobicContact CB-CB 4.48Å; K190-Q193 WeakPolarHBondContact O-CA 3.45Å; K190-Q193 WeakPolarHBondContact O-CB 3.48Å; K190-Q193 PolarHBondContact O-N 3.01Å; Q193-L195 PolarHBondContact O-N 3.46Å; Q193-E196 WeakPolarHBondContact O-CB 3.3Å; Q193-E196 PolarHBondContact O-N 3.46Å; Q193-I197 WeakPolarHBondContact O-CG1 3.46Å; Q193-I197 PolarHBondContact O-N 3.44Å
194L86.3Confident80.2Confident1 Ų145 Ų451%0.00523%0.23CC..Hα-helixtrans-65.2-39.3178.4-17058.3000112.3C179 D186 K190 G191 T192 E196 I197 Y198 I224C179-L194 HydrophobicContact CB-CD1 4.12Å; D186-L194 HydrophobicContact CB-CD2 3.62Å; K190-L194 PolarHBondContact O-N 3.41Å; G191-L194 PolarHBondContact O-N 2.96Å; T192-L194 VanDerWaalsContact C-N 3.34Å; L194-E196 VanDerWaalsContact C-N 3.33Å; L194-E196 PolarHBondContact O-N 3.26Å; L194-I197 HydrophobicContact CD1-CD1 4.24Å; L194-I197 WeakPolarHBondContact O-CB 3.46Å; L194-I197 PolarHBondContact O-N 2.93Å; L194-Y198 HydrophobicContact CD1-CE1 4.41Å; L194-Y198 HydrophobicContact CD1-CE2 4.27Å; L194-Y198 HydrophobicContact CD2-CE2 4.23Å; L194-Y198 HydrophobicContact CG-CD2 4.28Å; L194-Y198 HydrophobicContact CG-CE2 3.81Å; L194-Y198 PolarHBondContact O-N 2.98Å; L194-I224 HydrophobicContact CB-CD1 4.06Å; L194-I224 HydrophobicContact CD2-CD1 3.47Å; L194-I224 VanDerWaalsContact CD2-CD1 3.47Å; L194-I224 HydrophobicContact CD2-CG1 4.39Å; L194-I224 HydrophobicContact CG-CD1 3.65Å
195L86.9Confident81.6Confident3 Ų343.8 Ų43.82%0.01621%0.212CC..Hα-helixtrans-64.8-35.1172.7-72.1168.9000112.5G191 T192 Q193 I197 Y198 A199 I224 A227 P229 I233 I237G191-L195 WeakPolarHBondContact O-CG 3.42Å; G191-L195 PolarHBondContact O-N 2.69Å; T192-L195 PolarHBondContact O-N 2.94Å; Q193-L195 PolarHBondContact O-N 3.46Å; L195-I197 VanDerWaalsContact C-N 3.34Å; L195-Y198 PolarHBondContact O-N 3.29Å; L195-A199 WeakPolarHBondContact O-CB 3.3Å; L195-A199 PolarHBondContact O-N 3.2Å; L195-I224 HydrophobicContact CD1-CB 4.48Å; L195-I224 HydrophobicContact CD1-CG2 4.06Å; L195-I224 HydrophobicContact CD2-CB 4.25Å; L195-I224 HydrophobicContact CD2-CD1 4.14Å; L195-I224 HydrophobicContact CG-CB 4.31Å; L195-I224 HydrophobicContact CG-CD1 4.22Å; L195-I224 HydrophobicContact CG-CG2 4.09Å; L195-A227 HydrophobicContact CD1-CB 4.14Å; L195-P229 HydrophobicContact CB-CB 4.5Å; L195-P229 HydrophobicContact CD1-CB 3.89Å; L195-P229 HydrophobicContact CD1-CG 3.82Å; L195-I233 HydrophobicContact CB-CG2 4.2Å; L195-I233 WeakPolarHBondContact O-CG2 3.42Å; L195-I237 HydrophobicContact CB-CD1 4.16Å; L195-I237 HydrophobicContact CD2-CD1 3.58Å; L195-I237 HydrophobicContact CG-CD1 4.46Å
196E87.6Confident82.7Confident57 Ų5740 Ų4027%0.26620%0.198SC..Hα-helixtrans-62.1-41.8171.3-76.4-176.8-161.100112.1F149 T192 Q193 L194 A199 L200 I233F149-E196 WeakPolarHBondContact CE1-OE2 3.1Å; F149-E196 HydrophobicContact CZ-CB 4.36Å; T192-E196 PolarHBondContact O-N 3.45Å; Q193-E196 WeakPolarHBondContact O-CB 3.3Å; Q193-E196 PolarHBondContact O-N 3.46Å; L194-E196 VanDerWaalsContact C-N 3.33Å; L194-E196 PolarHBondContact O-N 3.26Å; E196-A199 PolarHBondContact O-N 3.19Å; E196-L200 PolarHBondContact O-N 3.33Å; E196-L200 VanDerWaalsContact O-N 3.16Å; E196-I233 HydrophobicContact CG-CD1 3.26Å; E196-I233 HydrophobicContact CG-CG1 4.1Å
197I89.8Confident83.8Confident0 Ų039.8 Ų39.80%021%0.205CC..Hα-helixtrans-61.5-54175.6-62.5163.8000109.2F149 L172 L175 C179 Q193 L194 L195 A199 L200 E201F149-I197 HydrophobicContact CE2-CD1 3.88Å; F149-I197 HydrophobicContact CE2-CG1 3.96Å; F149-I197 HydrophobicContact CZ-CD1 4.41Å; F149-I197 HydrophobicContact CZ-CG1 4.08Å; L172-I197 HydrophobicContact CD2-CG2 4.02Å; L175-I197 HydrophobicContact CB-CD1 3.79Å; L175-I197 HydrophobicContact CB-CG1 3.92Å; L175-I197 HydrophobicContact CD1-CG1 4.45Å; C179-I197 HydrophobicContact CB-CD1 4.28Å; Q193-I197 WeakPolarHBondContact O-CG1 3.46Å; Q193-I197 PolarHBondContact O-N 3.44Å; L194-I197 HydrophobicContact CD1-CD1 4.24Å; L194-I197 WeakPolarHBondContact O-CB 3.46Å; L194-I197 PolarHBondContact O-N 2.93Å; L195-I197 VanDerWaalsContact C-N 3.34Å; I197-A199 VanDerWaalsContact C-N 3.27Å; I197-A199 PolarHBondContact O-N 3.09Å; I197-L200 WeakPolarHBondContact O-CA 3.32Å; I197-L200 WeakPolarHBondContact O-CB 3.43Å; I197-L200 PolarHBondContact O-N 3.05Å; I197-E201 HydrophobicContact CG2-CG 4.21Å; I197-E201 WeakPolarHBondContact O-CG 3.39Å; I197-E201 PolarHBondContact O-N 3.43Å
198Y90.1Very high84.8Confident2 Ų241.2 Ų41.21%0.00821%0.211CC..Hα-helixtrans-58.3-37.6-179.6-70.3-31.8000112.7H176 D186 L194 L195 L200 E201 I202 L217 Q220 I224H176-Y198 AromaticContact CE1-CE1 3.93Å; H176-Y198 PolarHBondContact CE1-OH 2.92Å; D186-Y198 PolarHBondContact OD2-OH 3.49Å; D186-Y198 VanDerWaalsContact OD2-OH 3.06Å; L194-Y198 HydrophobicContact CD1-CE1 4.41Å; L194-Y198 HydrophobicContact CD1-CE2 4.27Å; L194-Y198 HydrophobicContact CD2-CE2 4.23Å; L194-Y198 HydrophobicContact CG-CD2 4.28Å; L194-Y198 HydrophobicContact CG-CE2 3.81Å; L194-Y198 PolarHBondContact O-N 2.98Å; L195-Y198 PolarHBondContact O-N 3.29Å; Y198-L200 PolarHBondContact O-N 2.97Å; Y198-E201 PolarHBondContact O-N 3.47Å; Y198-I202 WeakPolarHBondContact O-CB 3.44Å; Y198-I202 VanDerWaalsContact O-CG1 3.22Å; Y198-I202 WeakPolarHBondContact O-CG1 3.28Å; Y198-I202 PolarHBondContact O-N 3.11Å; Y198-L217 HydrophobicContact CD1-CD2 3.75Å; Y198-L217 HydrophobicContact CE1-CD2 3.99Å; Y198-Q220 HydrophobicContact CE2-CB 4.2Å; Y198-I224 HydrophobicContact CD2-CD1 3.88Å; Y198-I224 HydrophobicContact CE2-CD1 3.49Å; Y198-I224 VanDerWaalsContact CE2-CD1 3.49Å
199A90.6Very high86Confident7 Ų743.7 Ų43.76%0.05822%0.216CC..Hα-helixtrans-62.5-40.3174.400000112.6L195 E196 I197 Q203 I233 V236 I237L195-A199 WeakPolarHBondContact O-CB 3.3Å; L195-A199 PolarHBondContact O-N 3.2Å; E196-A199 PolarHBondContact O-N 3.19Å; I197-A199 VanDerWaalsContact C-N 3.27Å; I197-A199 PolarHBondContact O-N 3.09Å; A199-Q203 WeakPolarHBondContact O-CG 3.28Å; A199-Q203 PolarHBondContact O-N 3.23Å; A199-I233 HydrophobicContact CB-CG2 3.8Å; A199-V236 HydrophobicContact CB-CG1 4.23Å; A199-I237 HydrophobicContact CB-CG1 4.23Å
200L90.3Very high87.1Confident4 Ų436.9 Ų36.92%0.02119%0.189CC..Hα-helixtrans-66.8-40.2173.9-70.1175.9000112.1T153 K157 L160 L172 E196 I197 Y198 Q203 M204T153-L200 HydrophobicContact CG2-CD1 3.86Å; K157-L200 HydrophobicContact CG-CD2 3.65Å; L160-L200 HydrophobicContact CD1-CD2 3.56Å; L172-L200 HydrophobicContact CD2-CB 3.94Å; E196-L200 PolarHBondContact O-N 3.33Å; E196-L200 VanDerWaalsContact O-N 3.16Å; I197-L200 WeakPolarHBondContact O-CA 3.32Å; I197-L200 WeakPolarHBondContact O-CB 3.43Å; I197-L200 PolarHBondContact O-N 3.05Å; Y198-L200 PolarHBondContact O-N 2.97Å; L200-Q203 PolarHBondContact O-N 3.39Å; L200-M204 PolarHBondContact O-N 3.32Å
201E91.1Very high87.8Confident26 Ų2637.4 Ų37.412%0.12120%0.195CC..Hα-helixtrans-63.5-42.9175.8-61.8-162129.200111.6L172 I197 Y198 Q203 M204 Y205 L217L172-E201 HydrophobicContact CB-CG 4.41Å; L172-E201 HydrophobicContact CD1-CG 3.79Å; L172-E201 HydrophobicContact CD2-CG 3.68Å; L172-E201 HydrophobicContact CG-CG 4.14Å; I197-E201 HydrophobicContact CG2-CG 4.21Å; I197-E201 WeakPolarHBondContact O-CG 3.39Å; I197-E201 PolarHBondContact O-N 3.43Å; Y198-E201 PolarHBondContact O-N 3.47Å; E201-Q203 PolarHBondContact O-N 3.21Å; E201-M204 WeakPolarHBondContact O-CB 3.46Å; E201-M204 PolarHBondContact O-N 3.01Å; E201-Y205 HydrophobicContact CB-CD2 4.36Å; E201-Y205 HydrophobicContact CB-CE2 4.32Å; E201-Y205 WeakPolarHBondContact O-CD2 3.28Å; E201-Y205 PolarHBondContact O-N 2.97Å; E201-L217 HydrophobicContact CB-CD1 3.73Å; E201-L217 HydrophobicContact CB-CD2 4.44Å; E201-L217 WeakPolarHBondContact OE2-CD2 3.42Å
202I91.6Very high88.5Confident3 Ų346.1 Ų46.12%0.01523%0.233CC..Hα-helixtrans-59.8-46.3175.2-76.2167.4000110.4Y198 M204 Y205 T206 L214 L217 V236 I237 C240Y198-I202 WeakPolarHBondContact O-CB 3.44Å; Y198-I202 VanDerWaalsContact O-CG1 3.22Å; Y198-I202 WeakPolarHBondContact O-CG1 3.28Å; Y198-I202 PolarHBondContact O-N 3.11Å; I202-M204 VanDerWaalsContact C-N 3.35Å; I202-M204 PolarHBondContact O-N 3.38Å; I202-Y205 PolarHBondContact O-N 2.9Å; I202-T206 VanDerWaalsContact O-CB 3.24Å; I202-T206 WeakPolarHBondContact O-CB 3.19Å; I202-T206 PolarHBondContact O-N 3.45Å; I202-T206 PolarHBondContact O-OG1 3.02Å; I202-L214 HydrophobicContact CB-CD2 4.29Å; I202-L214 HydrophobicContact CG1-CD2 4.3Å; I202-L214 HydrophobicContact CG2-CD2 4.16Å; I202-L214 WeakPolarHBondContact O-CD2 3.43Å; I202-L217 HydrophobicContact CG1-CB 4.19Å; I202-L217 HydrophobicContact CG1-CD1 4.27Å; I202-V236 HydrophobicContact CG2-CG1 4.39Å; I202-I237 HydrophobicContact CD1-CB 4.38Å; I202-I237 HydrophobicContact CD1-CG1 4.06Å; I202-I237 HydrophobicContact CD1-CG2 4.29Å; I202-C240 HydrophobicContact CD1-CB 4.39Å; I202-C240 HydrophobicContact CG2-CB 3.5Å
203Q89.4Confident88.8Confident63 Ų6348 Ų4829%0.29424%0.236SC..Hα-helixtrans-61.3-43.4177.3-72.7176.819.500111.8L160 A199 L200 E201 T206 A207 V236L160-Q203 HydrophobicContact CD1-CB 4.02Å; L160-Q203 HydrophobicContact CD2-CB 4.38Å; A199-Q203 WeakPolarHBondContact O-CG 3.28Å; A199-Q203 PolarHBondContact O-N 3.23Å; L200-Q203 PolarHBondContact O-N 3.39Å; E201-Q203 PolarHBondContact O-N 3.21Å; Q203-T206 PolarHBondContact O-N 3.05Å; Q203-A207 PolarHBondContact O-N 2.8Å; Q203-V236 HydrophobicContact CG-CG1 4.04Å
204M91.3Very high89.2Confident1 Ų146.1 Ų46.11%0.00523%0.228CC..Hα-helixtrans-60-51.8175.4-179-174.86400112L160 Y165 L168 Q169 L172 L200 E201 I202 T206 A207 Q208L160-M204 HydrophobicContact CD2-CB 3.85Å; Y165-M204 HydrophobicContact CD1-CG 3.76Å; Y165-M204 HydrophobicContact CG-CG 4.38Å; L168-M204 HydrophobicContact CB-SD 4.43Å; L168-M204 HydrophobicContact CD2-CB 3.85Å; L168-M204 HydrophobicContact CD2-CG 3.83Å; L168-M204 HydrophobicContact CD2-SD 3.8Å; L168-M204 HydrophobicContact CG-SD 4.04Å; Q169-M204 HydrophobicContact CG-CE 3.86Å; Q169-M204 HydrophobicContact CG-SD 3.59Å; Q169-M204 VanDerWaalsContact CG-SD 3.59Å; L172-M204 HydrophobicContact CD1-CE 3.81Å; L172-M204 HydrophobicContact CD1-SD 3.91Å; L200-M204 PolarHBondContact O-N 3.32Å; E201-M204 WeakPolarHBondContact O-CB 3.46Å; E201-M204 PolarHBondContact O-N 3.01Å; I202-M204 VanDerWaalsContact C-N 3.35Å; I202-M204 PolarHBondContact O-N 3.38Å; M204-T206 VanDerWaalsContact C-N 3.3Å; M204-T206 PolarHBondContact O-N 2.89Å; M204-A207 PolarHBondContact O-N 2.99Å; M204-Q208 WeakPolarHBondContact O-CG 3.44Å; M204-Q208 PolarHBondContact O-N 3.25Å
205Y91.4Very high89.3Confident20 Ų2049.1 Ų49.18%0.07824%0.241CC..Hα-helixtrans-72.6-23.8-177.1-71.9-57.1000113.2E201 I202 Q208 K209 N210 K213 L217E201-Y205 HydrophobicContact CB-CD2 4.36Å; E201-Y205 HydrophobicContact CB-CE2 4.32Å; E201-Y205 WeakPolarHBondContact O-CD2 3.28Å; E201-Y205 PolarHBondContact O-N 2.97Å; I202-Y205 PolarHBondContact O-N 2.9Å; Y205-Q208 CarbonylContact O-C 3.53Å; Y205-Q208 PolarHBondContact O-N 3.37Å; Y205-K209 PolarHBondContact O-N 2.99Å; Y205-N210 HydrophobicContact CD1-CB 4Å; Y205-N210 PolarHBondContact O-N 2.92Å; Y205-K213 HydrophobicContact CD1-CB 4.31Å; Y205-K213 HydrophobicContact CD1-CD 3.99Å; Y205-K213 HydrophobicContact CD2-CB 4.19Å; Y205-K213 HydrophobicContact CE1-CB 4.42Å; Y205-K213 HydrophobicContact CE1-CD 3.33Å; Y205-K213 HydrophobicContact CE1-CG 4.49Å; Y205-K213 HydrophobicContact CE2-CB 4.29Å; Y205-K213 HydrophobicContact CE2-CD 3.93Å; Y205-K213 HydrophobicContact CG-CB 4.21Å; Y205-K213 WeakPolarHBondContact OH-CD 3.26Å; Y205-K213 PolarHBondContact OH-NZ 3.47Å; Y205-L217 HydrophobicContact CD2-CD1 3.52Å; Y205-L217 HydrophobicContact CE2-CD1 3.84Å
206T87.6Confident89.5Confident66 Ų6651 Ų5141%0.40526%0.256SS..Hα-helixtrans-64.1-46.2170.2-60.90000110.2I202 Q203 M204 Q208 K209I202-T206 VanDerWaalsContact O-CB 3.24Å; I202-T206 WeakPolarHBondContact O-CB 3.19Å; I202-T206 PolarHBondContact O-N 3.45Å; I202-T206 PolarHBondContact O-OG1 3.02Å; Q203-T206 PolarHBondContact O-N 3.05Å; M204-T206 VanDerWaalsContact C-N 3.3Å; M204-T206 PolarHBondContact O-N 2.89Å; T206-Q208 VanDerWaalsContact C-N 3.34Å; T206-Q208 PolarHBondContact O-N 2.8Å; T206-K209 PolarHBondContact O-N 3.45Å; T206-K209 VanDerWaalsContact O-N 3.13Å
207A86.8Confident89.6Confident53 Ų5348.8 Ų48.844%0.43825%0.246SC..Hα-helixtrans-64.3-38.1175.500000112.2Y165 Q203 M204 K209Y165-A207 HydrophobicContact CE1-CB 4.03Å; Y165-A207 VanDerWaalsContact OH-CB 3.29Å; Y165-A207 WeakPolarHBondContact OH-CB 3.47Å; Q203-A207 PolarHBondContact O-N 2.8Å; M204-A207 PolarHBondContact O-N 2.99Å; A207-K209 VanDerWaalsContact C-N 3.26Å; A207-K209 PolarHBondContact O-N 3.5Å
208Q88.5Confident89.6Confident68 Ų6849.2 Ų49.232%0.31825%0.248SC..THydrogen-bonded Turntrans-76.1-5.7174.4-65.6-178.75.800114.7Y165 M204 Y205 T206 N210Y165-Q208 HydrophobicContact CD2-CG 4.17Å; Y165-Q208 HydrophobicContact CE2-CG 4.38Å; Y165-Q208 HydrophobicContact CG-CG 4.33Å; Y165-Q208 VanDerWaalsContact CG-NE2 3.34Å; M204-Q208 WeakPolarHBondContact O-CG 3.44Å; M204-Q208 PolarHBondContact O-N 3.25Å; Y205-Q208 CarbonylContact O-C 3.53Å; Y205-Q208 PolarHBondContact O-N 3.37Å; T206-Q208 VanDerWaalsContact C-N 3.34Å; T206-Q208 PolarHBondContact O-N 2.8Å; Q208-N210 VanDerWaalsContact C-N 3.25Å; Q208-N210 PolarHBondContact O-N 3.29Å
209K86.9Confident89.5Confident170 Ų17053.5 Ų53.574%0.73927%0.268SS*.THydrogen-bonded Turntrans54.634.2-175.3-56.3-178.2179.2179.80114.2Y205 T206 A207 N211Y205-K209 PolarHBondContact O-N 2.99Å; T206-K209 PolarHBondContact O-N 3.45Å; T206-K209 VanDerWaalsContact O-N 3.13Å; A207-K209 VanDerWaalsContact C-N 3.26Å; A207-K209 PolarHBondContact O-N 3.5Å; K209-N211 PolarHBondContact O-N 2.83Å
210N90.4Very high89.3Confident54 Ų5457.3 Ų57.329%0.28929%0.285SS..  trans-91.385.3-179.9-168.5-21.3000112.4Y205 Q208 K212 K213 L214Y205-N210 HydrophobicContact CD1-CB 4Å; Y205-N210 PolarHBondContact O-N 2.92Å; Q208-N210 VanDerWaalsContact C-N 3.25Å; Q208-N210 PolarHBondContact O-N 3.29Å; N210-K212 PolarHBondContact O-N 3.28Å; N210-K213 PolarHBondContact O-N 3.35Å; N210-K213 PolarHBondContact OD1-N 2.66Å; N210-L214 WeakPolarHBondContact O-CG 3.48Å; N210-L214 PolarHBondContact O-N 3.03Å
211N86.9Confident89Confident77 Ų7757.5 Ų57.541%0.41229%0.286SS..Hα-helixtrans-64.5-34-173.2-57-26.2000114.2K209 K213 L214 K215 R247K209-N211 PolarHBondContact O-N 2.83Å; N211-K213 PolarHBondContact O-N 3.27Å; N211-L214 PolarHBondContact O-N 2.88Å; N211-K215 PolarHBondContact O-N 3.45Å; N211-K215 VanDerWaalsContact O-N 3.1Å; N211-R247 PolarHBondContact ND2-NH1 3.17Å; N211-R247 PolarHBondContact OD1-NH1 3.31Å
212K89.5Confident88.6Confident186 Ų18659.5 Ų59.581%0.80930%0.298SS*.Hα-helixtrans-64.8-41.4-178.4-67.9-175178.7-177.70111.6N210 A216N210-K212 PolarHBondContact O-N 3.28Å; K212-A216 PolarHBondContact O-N 3.29Å
213K89.6Confident88Confident93 Ų9366.5 Ų66.540%0.40433%0.33SS..Hα-helixtrans-72.8-38.5177.5-73.5-166.1175-1720112.2Y205 N210 N211 K215 A216 L217Y205-K213 HydrophobicContact CD1-CB 4.31Å; Y205-K213 HydrophobicContact CD1-CD 3.99Å; Y205-K213 HydrophobicContact CD2-CB 4.19Å; Y205-K213 HydrophobicContact CE1-CB 4.42Å; Y205-K213 HydrophobicContact CE1-CD 3.33Å; Y205-K213 HydrophobicContact CE1-CG 4.49Å; Y205-K213 HydrophobicContact CE2-CB 4.29Å; Y205-K213 HydrophobicContact CE2-CD 3.93Å; Y205-K213 HydrophobicContact CG-CB 4.21Å; Y205-K213 WeakPolarHBondContact OH-CD 3.26Å; Y205-K213 PolarHBondContact OH-NZ 3.47Å; N210-K213 PolarHBondContact O-N 3.35Å; N210-K213 PolarHBondContact OD1-N 2.66Å; N211-K213 PolarHBondContact O-N 3.27Å; K213-K215 VanDerWaalsContact C-N 3.26Å; K213-K215 PolarHBondContact O-N 3.02Å; K213-A216 PolarHBondContact O-N 3.26Å; K213-L217 VanDerWaalsContact O-CG 3.32Å; K213-L217 WeakPolarHBondContact O-CG 3.38Å; K213-L217 PolarHBondContact O-N 3.47Å
214L89.9Confident87.4Confident15 Ų1564.1 Ų64.18%0.07932%0.319CS..Hα-helixtrans-56.9-41.6175.1-70174000112I202 N210 N211 L217 Y218I202-L214 HydrophobicContact CB-CD2 4.29Å; I202-L214 HydrophobicContact CG1-CD2 4.3Å; I202-L214 HydrophobicContact CG2-CD2 4.16Å; I202-L214 WeakPolarHBondContact O-CD2 3.43Å; N210-L214 WeakPolarHBondContact O-CG 3.48Å; N210-L214 PolarHBondContact O-N 3.03Å; N211-L214 PolarHBondContact O-N 2.88Å; L214-L217 PolarHBondContact O-N 2.89Å; L214-Y218 WeakPolarHBondContact O-CB 3.43Å; L214-Y218 PolarHBondContact O-N 2.71Å
215K89.5Confident85.8Confident64 Ų6473 Ų7328%0.27836%0.358SS..Hα-helixtrans-60.7-51.1175.3176.5160.4-172.61660112.7N211 K213 L217 Y218 E219 M244 E248N211-K215 PolarHBondContact O-N 3.45Å; N211-K215 VanDerWaalsContact O-N 3.1Å; K213-K215 VanDerWaalsContact C-N 3.26Å; K213-K215 PolarHBondContact O-N 3.02Å; K215-L217 VanDerWaalsContact C-N 3.31Å; K215-L217 PolarHBondContact O-N 2.74Å; K215-Y218 PolarHBondContact O-N 2.95Å; K215-E219 WeakPolarHBondContact CE-OE1 3.49Å; K215-E219 WeakPolarHBondContact O-CG 3.15Å; K215-E219 PolarHBondContact O-N 3.35Å; K215-M244 VanDerWaalsContact CA-SD 3.58Å; K215-M244 HydrophobicContact CB-CG 4.3Å; K215-M244 HydrophobicContact CB-SD 3.65Å; K215-M244 HydrophobicContact CD-SD 4.04Å; K215-M244 HydrophobicContact CG-SD 3.57Å; K215-M244 VanDerWaalsContact CG-SD 3.57Å; K215-E248 VanDerWaalsContact CD-OE1 3.27Å; K215-E248 WeakPolarHBondContact CD-OE1 3.48Å; K215-E248 WeakPolarHBondContact CE-OE1 3.44Å; K215-E248 IonicContact NZ-OE1 3.99Å; K215-E248 PolarHBondContact NZ-OE1 3.18Å; K215-E248 IonicContact NZ-OE2 3.93Å; K215-E248 PolarHBondContact NZ-OE2 3.13Å
216A90.4Very high84.1Confident41 Ų4177.2 Ų77.234%0.33939%0.39SS..Hα-helixtrans-59-42.4178.900000112.2K212 K213 E219 Q220K212-A216 PolarHBondContact O-N 3.29Å; K213-A216 PolarHBondContact O-N 3.26Å; A216-E219 PolarHBondContact O-N 2.73Å; A216-Q220 WeakPolarHBondContact O-CB 3.47Å; A216-Q220 VanDerWaalsContact O-CG 3.22Å; A216-Q220 WeakPolarHBondContact O-CG 3.47Å; A216-Q220 PolarHBondContact O-N 3.28Å
217L90.3Very high83.1Confident12 Ų1274.9 Ų74.96%0.06338%0.377CS..Hα-helixtrans-66.2-40.3178.4-70.5171.9000112.6Y198 E201 I202 Y205 K213 L214 K215 Q220 S221Y198-L217 HydrophobicContact CD1-CD2 3.75Å; Y198-L217 HydrophobicContact CE1-CD2 3.99Å; E201-L217 HydrophobicContact CB-CD1 3.73Å; E201-L217 HydrophobicContact CB-CD2 4.44Å; E201-L217 WeakPolarHBondContact OE2-CD2 3.42Å; I202-L217 HydrophobicContact CG1-CB 4.19Å; I202-L217 HydrophobicContact CG1-CD1 4.27Å; Y205-L217 HydrophobicContact CD2-CD1 3.52Å; Y205-L217 HydrophobicContact CE2-CD1 3.84Å; K213-L217 VanDerWaalsContact O-CG 3.32Å; K213-L217 WeakPolarHBondContact O-CG 3.38Å; K213-L217 PolarHBondContact O-N 3.47Å; L214-L217 PolarHBondContact O-N 2.89Å; K215-L217 VanDerWaalsContact C-N 3.31Å; K215-L217 PolarHBondContact O-N 2.74Å; L217-Q220 PolarHBondContact O-N 3.19Å; L217-S221 WeakPolarHBondContact O-CB 3.28Å; L217-S221 PolarHBondContact O-N 3.45Å
218Y89.8Confident82.1Confident8 Ų879.9 Ų79.93%0.03140%0.395CS..Hα-helixtrans-64.7-46.6176.4176.7-102.8000111.1L214 K215 Q220 S221 L222 I237 R238 G241 M244 H245 D257L214-Y218 WeakPolarHBondContact O-CB 3.43Å; L214-Y218 PolarHBondContact O-N 2.71Å; K215-Y218 PolarHBondContact O-N 2.95Å; Y218-Q220 VanDerWaalsContact C-N 3.33Å; Y218-Q220 PolarHBondContact O-N 2.98Å; Y218-S221 PolarHBondContact O-N 3.46Å; Y218-S221 VanDerWaalsContact O-N 3.13Å; Y218-S221 PolarHBondContact O-OG 3.22Å; Y218-L222 HydrophobicContact CD1-CD1 4.25Å; Y218-L222 HydrophobicContact CE1-CD1 3.7Å; Y218-L222 HydrophobicContact CE1-CG 4.25Å; Y218-L222 HydrophobicContact CE2-CD2 4.41Å; Y218-L222 WeakPolarHBondContact O-CG 3.44Å; Y218-L222 PolarHBondContact O-N 3.33Å; Y218-I237 HydrophobicContact CD2-CG2 4.12Å; Y218-R238 PolarHBondContact OH-NH1 3.37Å; Y218-G241 VanDerWaalsContact CD2-CA 3.47Å; Y218-M244 HydrophobicContact CD1-CE 3.57Å; Y218-M244 HydrophobicContact CD1-SD 4.12Å; Y218-M244 HydrophobicContact CE1-CE 3.87Å; Y218-M244 HydrophobicContact CG-CE 4.5Å; Y218-H245 AromaticContact CE1-CE1 3.62Å; Y218-D257 PolarHBondContact OH-OD1 3.14Å; Y218-D257 PolarHBondContact OH-OD2 3.12Å
219E87.5Confident81.3Confident93 Ų9377.5 Ų77.544%0.43539%0.385SS..Hα-helixtrans-58.7-43.4175.3-70.9173.9178.700111.9K215 A216 S221 L222 H223K215-E219 WeakPolarHBondContact CE-OE1 3.49Å; K215-E219 WeakPolarHBondContact O-CG 3.15Å; K215-E219 PolarHBondContact O-N 3.35Å; A216-E219 PolarHBondContact O-N 2.73Å; E219-S221 PolarHBondContact O-N 2.99Å; E219-L222 PolarHBondContact O-N 3.46Å; E219-H223 PolarHBondContact O-CD2 2.92Å
220Q85.8Confident81Confident86 Ų8674.7 Ų74.740%0.40238%0.375SS..Hα-helixtrans-60.9-41.6174.4-74.6171.7-2.500112.4Y198 A216 L217 Y218 L222 H223Y198-Q220 HydrophobicContact CE2-CB 4.2Å; A216-Q220 WeakPolarHBondContact O-CB 3.47Å; A216-Q220 VanDerWaalsContact O-CG 3.22Å; A216-Q220 WeakPolarHBondContact O-CG 3.47Å; A216-Q220 PolarHBondContact O-N 3.28Å; L217-Q220 PolarHBondContact O-N 3.19Å; Y218-Q220 VanDerWaalsContact C-N 3.33Å; Y218-Q220 PolarHBondContact O-N 2.98Å; Q220-L222 VanDerWaalsContact C-N 3.26Å; Q220-L222 PolarHBondContact O-N 3.49Å; Q220-H223 PolarHBondContact O-N 3.17Å
221S85.2Confident80.7Confident8 Ų873.9 Ų73.96%0.05637%0.372CS..Hα-helixtrans-63.3-31.217977.30000113.2L217 Y218 E219 H223 I224 I237L217-S221 WeakPolarHBondContact O-CB 3.28Å; L217-S221 PolarHBondContact O-N 3.45Å; Y218-S221 PolarHBondContact O-N 3.46Å; Y218-S221 VanDerWaalsContact O-N 3.13Å; Y218-S221 PolarHBondContact O-OG 3.22Å; E219-S221 PolarHBondContact O-N 2.99Å; S221-H223 VanDerWaalsContact C-N 3.26Å; S221-H223 PolarHBondContact O-N 2.85Å; S221-I224 PolarHBondContact O-N 2.95Å; S221-I237 WeakPolarHBondContact OG-CG2 3.46Å
222L81.6Confident80.7Confident69 Ų6973.5 Ų73.536%0.36137%0.37SS..Hα-helixtrans-68.6-22.6178.5-68.2174.6000113.3Y218 E219 Q220 I224Y218-L222 HydrophobicContact CD1-CD1 4.25Å; Y218-L222 HydrophobicContact CE1-CD1 3.7Å; Y218-L222 HydrophobicContact CE1-CG 4.25Å; Y218-L222 HydrophobicContact CE2-CD2 4.41Å; Y218-L222 WeakPolarHBondContact O-CG 3.44Å; Y218-L222 PolarHBondContact O-N 3.33Å; E219-L222 PolarHBondContact O-N 3.46Å; Q220-L222 VanDerWaalsContact C-N 3.26Å; Q220-L222 PolarHBondContact O-N 3.49Å; L222-I224 VanDerWaalsContact C-N 3.28Å
223H79.2Confident80.7Confident150 Ų15065.7 Ų65.769%0.69434%0.337SS*.Hα-helixtrans-73.5-22.2175.8-68.4-68.6000112.2E219 Q220 S221 K225E219-H223 PolarHBondContact O-CD2 2.92Å; Q220-H223 PolarHBondContact O-N 3.17Å; S221-H223 VanDerWaalsContact C-N 3.26Å; S221-H223 PolarHBondContact O-N 2.85Å; H223-K225 VanDerWaalsContact C-N 3.3Å; H223-K225 PolarHBondContact O-N 3.5Å
224I76.8Confident80.6Confident12 Ų1263.6 Ų63.66%0.06233%0.329CS..  trans-86.667.9-179.7-49.4172.4000109.9L194 L195 Y198 S221 L222 A227L194-I224 HydrophobicContact CB-CD1 4.06Å; L194-I224 HydrophobicContact CD2-CD1 3.47Å; L194-I224 VanDerWaalsContact CD2-CD1 3.47Å; L194-I224 HydrophobicContact CD2-CG1 4.39Å; L194-I224 HydrophobicContact CG-CD1 3.65Å; L195-I224 HydrophobicContact CD1-CB 4.48Å; L195-I224 HydrophobicContact CD1-CG2 4.06Å; L195-I224 HydrophobicContact CD2-CB 4.25Å; L195-I224 HydrophobicContact CD2-CD1 4.14Å; L195-I224 HydrophobicContact CG-CB 4.31Å; L195-I224 HydrophobicContact CG-CD1 4.22Å; L195-I224 HydrophobicContact CG-CG2 4.09Å; Y198-I224 HydrophobicContact CD2-CD1 3.88Å; Y198-I224 HydrophobicContact CE2-CD1 3.49Å; Y198-I224 VanDerWaalsContact CE2-CD1 3.49Å; S221-I224 PolarHBondContact O-N 2.95Å; L222-I224 VanDerWaalsContact C-N 3.28Å; I224-A227 HydrophobicContact CG2-CB 4Å
225K58.4Low80.6Confident188 Ų18862.9 Ų62.982%0.81733%0.325SS*.  trans-84.4-19.3179.4-84-177.3178.7-179.50115.2H223 A227H223-K225 VanDerWaalsContact C-N 3.3Å; H223-K225 PolarHBondContact O-N 3.5Å; K225-A227 VanDerWaalsContact C-N 3.33Å
226S55.6Low80.6Confident109 Ų10960.3 Ų60.376%0.76232%0.315SS*.SBendtrans-84.9-4.9-173.8-167.50000114.1
227A65.6Low80.7Confident16 Ų1658.5 Ų58.513%0.13230%0.299CS..  trans-97.5137.917900000110.2L195 I224 K225 P229L195-A227 HydrophobicContact CD1-CB 4.14Å; I224-A227 HydrophobicContact CG2-CB 4Å; K225-A227 VanDerWaalsContact C-N 3.33Å; A227-P229 WeakPolarHBondContact O-CD 3.44Å
228I67.1Low80.8Confident159 Ų15960.1 Ų60.182%0.81531%0.305SS*.  trans-96.794167.8-56.9171.5000106.2
229P70.7Confident80.9Confident17 Ų1760.5 Ų60.511%0.1131%0.307CS..  trans-75.7165175.833.9-38.4000111.5L195 A227 I233 M234L195-P229 HydrophobicContact CB-CB 4.5Å; L195-P229 HydrophobicContact CD1-CB 3.89Å; L195-P229 HydrophobicContact CD1-CG 3.82Å; A227-P229 WeakPolarHBondContact O-CD 3.44Å; P229-I233 HydrophobicContact CB-CB 4.46Å; P229-M234 HydrophobicContact CG-CB 4.12Å; P229-M234 HydrophobicContact CG-CE 3.44Å; P229-M234 VanDerWaalsContact CG-CE 3.44Å
230H80.5Confident81.1Confident111 Ų11156.5 Ų56.551%0.51429%0.289SS..  trans-61.1137.6168.7-170.6-79.5000109.9L232 I233 M234H230-L232 WeakPolarHBondContact ND1-CB 3.5Å; H230-L232 PolarHBondContact ND1-N 3.5Å; H230-L232 PolarHBondContact O-N 3.4Å; H230-L232 VanDerWaalsContact O-N 3.11Å; H230-I233 HydrophobicContact CB-CD1 3.72Å; H230-I233 HydrophobicContact CB-CG1 4.25Å; H230-I233 WeakPolarHBondContact O-CB 3.39Å; H230-I233 PolarHBondContact O-N 2.78Å; H230-M234 PolarHBondContact O-N 3.42Å
231P85.2Confident81.3Confident37 Ų3752.4 Ų52.424%0.2427%0.27CS..Hα-helixtrans-49.2-43.9-176.9-30.234.6000113.2I233 M234 G235 N264 E267P231-I233 VanDerWaalsContact C-N 3.31Å; P231-I233 PolarHBondContact O-N 3.47Å; P231-M234 PolarHBondContact O-N 3.31Å; P231-G235 PolarHBondContact O-N 3.19Å; P231-N264 HydrophobicContact CB-CB 4.37Å; P231-N264 WeakPolarHBondContact O-CB 3.32Å; P231-E267 HydrophobicContact CB-CB 4.47Å
232L87.4Confident81.7Confident69 Ų6952 Ų5236%0.36127%0.267SS..Hα-helixtrans-52.9-41.5176.5-174.765.2000114.5H230 V236 Y265H230-L232 WeakPolarHBondContact ND1-CB 3.5Å; H230-L232 PolarHBondContact ND1-N 3.5Å; H230-L232 PolarHBondContact O-N 3.4Å; H230-L232 VanDerWaalsContact O-N 3.11Å; L232-V236 WeakPolarHBondContact O-CG2 3.44Å; L232-V236 PolarHBondContact O-N 3.49Å; L232-Y265 HydrophobicContact CD1-CD1 4.09Å; L232-Y265 HydrophobicContact CD1-CE1 3.93Å
233I88.1Confident82.2Confident23 Ų2350.7 Ų50.712%0.11826%0.259CS..Hα-helixtrans-70-46.2-178.7-59.7158.4000109.2L195 E196 A199 P229 H230 P231 G235 V236 I237L195-I233 HydrophobicContact CB-CG2 4.2Å; L195-I233 WeakPolarHBondContact O-CG2 3.42Å; E196-I233 HydrophobicContact CG-CD1 3.26Å; E196-I233 HydrophobicContact CG-CG1 4.1Å; A199-I233 HydrophobicContact CB-CG2 3.8Å; P229-I233 HydrophobicContact CB-CB 4.46Å; H230-I233 HydrophobicContact CB-CD1 3.72Å; H230-I233 HydrophobicContact CB-CG1 4.25Å; H230-I233 WeakPolarHBondContact O-CB 3.39Å; H230-I233 PolarHBondContact O-N 2.78Å; P231-I233 VanDerWaalsContact C-N 3.31Å; P231-I233 PolarHBondContact O-N 3.47Å; I233-G235 VanDerWaalsContact C-N 3.28Å; I233-G235 PolarHBondContact O-N 3.03Å; I233-V236 PolarHBondContact O-N 2.9Å; I233-I237 HydrophobicContact CG2-CD1 4.07Å; I233-I237 WeakPolarHBondContact O-CG1 3.48Å; I233-I237 PolarHBondContact O-N 3.37Å; I233-I237 VanDerWaalsContact O-N 3.15Å
234M87.3Confident82.7Confident48 Ų4844.5 Ų44.524%0.23623%0.23CC..Hα-helixtrans-59.9-42.2177.2-171.659.582.700111P229 H230 P231 V236 I237 R238P229-M234 HydrophobicContact CG-CB 4.12Å; P229-M234 HydrophobicContact CG-CE 3.44Å; P229-M234 VanDerWaalsContact CG-CE 3.44Å; H230-M234 PolarHBondContact O-N 3.42Å; P231-M234 PolarHBondContact O-N 3.31Å; M234-V236 VanDerWaalsContact C-N 3.34Å; M234-V236 PolarHBondContact O-N 3Å; M234-I237 PolarHBondContact O-N 3.36Å; M234-R238 HydrophobicContact CG-CG 4.2Å; M234-R238 WeakPolarHBondContact O-CB 3.2Å; M234-R238 VanDerWaalsContact O-CG 3.3Å; M234-R238 WeakPolarHBondContact O-CG 3.39Å; M234-R238 PolarHBondContact O-N 3.07Å; M234-R238 HydrophobicContact SD-CG 4.2Å
235G89.9Confident83.5Confident0 Ų044.7 Ų44.70%023%0.231CC..Hα-helixtrans-55.9-45.2175.400000112.9P231 I233 R238 E239 Y265P231-G235 PolarHBondContact O-N 3.19Å; I233-G235 VanDerWaalsContact C-N 3.28Å; I233-G235 PolarHBondContact O-N 3.03Å; G235-R238 PolarHBondContact O-N 3.21Å; G235-E239 VanDerWaalsContact O-CB 3.3Å; G235-E239 WeakPolarHBondContact O-CB 3.21Å; G235-E239 PolarHBondContact O-N 3.38Å; G235-Y265 PolarHBondContact O-OH 2.98Å
236V91Very high85Confident10 Ų1035.9 Ų35.96%0.06119%0.193CC..Hα-helixtrans-64-43.2178.4171.90000112.2A199 I202 Q203 L232 I233 M234 C240 Y265A199-V236 HydrophobicContact CB-CG1 4.23Å; I202-V236 HydrophobicContact CG2-CG1 4.39Å; Q203-V236 HydrophobicContact CG-CG1 4.04Å; L232-V236 WeakPolarHBondContact O-CG2 3.44Å; L232-V236 PolarHBondContact O-N 3.49Å; I233-V236 PolarHBondContact O-N 2.9Å; M234-V236 VanDerWaalsContact C-N 3.34Å; M234-V236 PolarHBondContact O-N 3Å; V236-C240 PolarHBondContact O-N 2.89Å; V236-Y265 WeakPolarHBondContact CA-OH 3.3Å; V236-Y265 HydrophobicContact CG2-CE1 4.36Å; V236-Y265 WeakPolarHBondContact CG2-OH 3.49Å; V236-Y265 PolarHBondContact N-OH 3.43Å
237I91.3Very high86.5Confident3 Ų336.1 Ų36.12%0.01518%0.177CC..Hα-helixtrans-66.1-46.3-179.9-64171.8000110.1L195 A199 I202 Y218 S221 I233 M234 C240 G241L195-I237 HydrophobicContact CB-CD1 4.16Å; L195-I237 HydrophobicContact CD2-CD1 3.58Å; L195-I237 HydrophobicContact CG-CD1 4.46Å; A199-I237 HydrophobicContact CB-CG1 4.23Å; I202-I237 HydrophobicContact CD1-CB 4.38Å; I202-I237 HydrophobicContact CD1-CG1 4.06Å; I202-I237 HydrophobicContact CD1-CG2 4.29Å; Y218-I237 HydrophobicContact CD2-CG2 4.12Å; S221-I237 WeakPolarHBondContact OG-CG2 3.46Å; I233-I237 HydrophobicContact CG2-CD1 4.07Å; I233-I237 WeakPolarHBondContact O-CG1 3.48Å; I233-I237 PolarHBondContact O-N 3.37Å; I233-I237 VanDerWaalsContact O-N 3.15Å; M234-I237 PolarHBondContact O-N 3.36Å; I237-C240 WeakPolarHBondContact O-CB 3.37Å; I237-C240 PolarHBondContact O-N 3.05Å; I237-G241 PolarHBondContact O-N 3.41Å
238R91.9Very high87.6Confident46 Ų4639.5 Ų39.517%0.17419%0.19CC..Hα-helixtrans-64.7-40.3177.7-71.2-66.2-164.1-167.51.9112.7Y218 M234 G235 C240 G241 G242 D257 E260 A261Y218-R238 PolarHBondContact OH-NH1 3.37Å; M234-R238 HydrophobicContact CG-CG 4.2Å; M234-R238 WeakPolarHBondContact O-CB 3.2Å; M234-R238 VanDerWaalsContact O-CG 3.3Å; M234-R238 WeakPolarHBondContact O-CG 3.39Å; M234-R238 PolarHBondContact O-N 3.07Å; M234-R238 HydrophobicContact SD-CG 4.2Å; G235-R238 PolarHBondContact O-N 3.21Å; R238-C240 VanDerWaalsContact C-N 3.26Å; R238-C240 PolarHBondContact O-N 3.48Å; R238-G241 PolarHBondContact O-N 3.41Å; R238-G241 VanDerWaalsContact O-N 3.13Å; R238-G242 PolarHBondContact O-N 2.99Å; R238-D257 WeakPolarHBondContact CD-OD1 3.35Å; R238-D257 IonicContact CZ-OD1 2.8Å; R238-D257 IonicContact NE-OD1 3.05Å; R238-D257 IonicContact NH1-OD1 2.69Å; R238-D257 PolarHBondContact NH1-OD1 3.15Å; R238-E260 HydrophobicContact CG-CB 4.41Å; R238-E260 IonicContact CZ-OE2 2.97Å; R238-E260 IonicContact NE-OE2 2.8Å; R238-E260 PolarHBondContact NE-OE2 3.03Å; R238-E260 IonicContact NH2-OE1 3.2Å; R238-E260 IonicContact NH2-OE2 2.74Å; R238-E260 PolarHBondContact NH2-OE2 3.11Å; R238-A261 HydrophobicContact CB-CB 3.71Å
239E93.1Very high88.6Confident16 Ų1633.7 Ų33.78%0.07517%0.169CC..Hα-helixtrans-56.8-42.4174.4-167.9-157.3143.600110.9G235 G242 K243 F258 A261 Y265 R272G235-E239 VanDerWaalsContact O-CB 3.3Å; G235-E239 WeakPolarHBondContact O-CB 3.21Å; G235-E239 PolarHBondContact O-N 3.38Å; E239-G242 PolarHBondContact O-N 3.13Å; E239-K243 WeakPolarHBondContact O-CG 3.31Å; E239-K243 PolarHBondContact O-N 3.24Å; E239-K243 VanDerWaalsContact O-N 3.09Å; E239-K243 WeakPolarHBondContact OE1-CE 3.15Å; E239-K243 IonicContact OE1-NZ 2.83Å; E239-K243 PolarHBondContact OE1-NZ 3.11Å; E239-F258 HydrophobicContact CG-CE1 4.49Å; E239-A261 HydrophobicContact CB-CB 4.4Å; E239-Y265 HydrophobicContact CB-CE2 4.28Å; E239-Y265 PolarHBondContact OE2-OH 3.34Å; E239-R272 IonicContact OE2-NH1 3.76Å; E239-R272 PolarHBondContact OE2-NH1 3.14Å
240C91.5Very high89.6Confident10 Ų1036.3 Ų36.37%0.06818%0.18CC..Hα-helixtrans-65.6-43.8175.4-178.60000112.3I202 V236 I237 R238 G242 K243 M244I202-C240 HydrophobicContact CD1-CB 4.39Å; I202-C240 HydrophobicContact CG2-CB 3.5Å; V236-C240 PolarHBondContact O-N 2.89Å; I237-C240 WeakPolarHBondContact O-CB 3.37Å; I237-C240 PolarHBondContact O-N 3.05Å; R238-C240 VanDerWaalsContact C-N 3.26Å; R238-C240 PolarHBondContact O-N 3.48Å; C240-G242 VanDerWaalsContact C-N 3.34Å; C240-G242 PolarHBondContact O-N 3.39Å; C240-K243 PolarHBondContact O-N 2.89Å; C240-M244 WeakPolarHBondContact O-CB 3.28Å; C240-M244 PolarHBondContact O-N 2.78Å
241G91.1Very high90.1Very high0 Ų033.1 Ų33.10%017%0.165CC..Hα-helixtrans-56.6-46.5174.100000112.5Y218 I237 R238 K243 M244 H245Y218-G241 VanDerWaalsContact CD2-CA 3.47Å; I237-G241 PolarHBondContact O-N 3.41Å; R238-G241 PolarHBondContact O-N 3.41Å; R238-G241 VanDerWaalsContact O-N 3.13Å; G241-K243 PolarHBondContact O-N 3.26Å; G241-M244 WeakPolarHBondContact O-CB 3.47Å; G241-M244 PolarHBondContact O-N 3.05Å; G241-H245 PolarHBondContact O-N 3.49Å; G241-H245 PolarHBondContact O-ND1 3.06Å
242G93.1Very high90.4Very high0 Ų038.3 Ų38.30%019%0.186CC..Hα-helixtrans-59.5-45.7176.200000112.7R238 E239 C240 M244 H245 L246R238-G242 PolarHBondContact O-N 2.99Å; E239-G242 PolarHBondContact O-N 3.13Å; C240-G242 VanDerWaalsContact C-N 3.34Å; C240-G242 PolarHBondContact O-N 3.39Å; G242-M244 VanDerWaalsContact C-N 3.33Å; G242-M244 PolarHBondContact O-N 3.13Å; G242-H245 PolarHBondContact O-N 2.83Å; G242-L246 WeakPolarHBondContact O-CB 3.27Å; G242-L246 PolarHBondContact O-N 3.05Å
243K91.8Very high90.6Very high41 Ų4139.8 Ų39.818%0.17819%0.189CC..Hα-helixtrans-63.5-37.6177-74.1176.3169.4170.30112.7E239 C240 G241 R247 F258 Y279 F342E239-K243 WeakPolarHBondContact O-CG 3.31Å; E239-K243 PolarHBondContact O-N 3.24Å; E239-K243 VanDerWaalsContact O-N 3.09Å; E239-K243 WeakPolarHBondContact OE1-CE 3.15Å; E239-K243 IonicContact OE1-NZ 2.83Å; E239-K243 PolarHBondContact OE1-NZ 3.11Å; C240-K243 PolarHBondContact O-N 2.89Å; G241-K243 PolarHBondContact O-N 3.26Å; K243-R247 WeakPolarHBondContact O-CG 3.33Å; K243-R247 PolarHBondContact O-N 3.19Å; K243-F258 HydrophobicContact CG-CE1 4.06Å; K243-F258 HydrophobicContact CG-CZ 3.88Å; K243-F258 VanDerWaalsContact N-CZ 3.3Å; K243-Y279 PolarHBondContact NZ-OH 2.86Å; K243-F342 HydrophobicContact CB-CE2 3.88Å; K243-F342 HydrophobicContact CB-CZ 3.99Å; K243-F342 HydrophobicContact CG-CD2 4.29Å; K243-F342 HydrophobicContact CG-CE1 4.07Å; K243-F342 HydrophobicContact CG-CE2 3.8Å; K243-F342 HydrophobicContact CG-CZ 3.67Å
244M90.4Very high90.8Very high20 Ų2038.7 Ų38.710%0.09918%0.184CC..Hα-helixtrans-66.1-54.2175.6177.9-159.473.800111K215 Y218 C240 G241 G242 L246 R247 E248K215-M244 VanDerWaalsContact CA-SD 3.58Å; K215-M244 HydrophobicContact CB-CG 4.3Å; K215-M244 HydrophobicContact CB-SD 3.65Å; K215-M244 HydrophobicContact CD-SD 4.04Å; K215-M244 HydrophobicContact CG-SD 3.57Å; K215-M244 VanDerWaalsContact CG-SD 3.57Å; Y218-M244 HydrophobicContact CD1-CE 3.57Å; Y218-M244 HydrophobicContact CD1-SD 4.12Å; Y218-M244 HydrophobicContact CE1-CE 3.87Å; Y218-M244 HydrophobicContact CG-CE 4.5Å; C240-M244 WeakPolarHBondContact O-CB 3.28Å; C240-M244 PolarHBondContact O-N 2.78Å; G241-M244 WeakPolarHBondContact O-CB 3.47Å; G241-M244 PolarHBondContact O-N 3.05Å; G242-M244 VanDerWaalsContact C-N 3.33Å; G242-M244 PolarHBondContact O-N 3.13Å; M244-L246 VanDerWaalsContact C-N 3.26Å; M244-L246 PolarHBondContact O-N 3.02Å; M244-R247 WeakPolarHBondContact O-CB 3.29Å; M244-R247 PolarHBondContact O-N 3.49Å; M244-E248 PolarHBondContact O-N 3.19Å
245H92Very high91.1Very high16 Ų1638.3 Ų38.37%0.07418%0.181CC..Hα-helixtrans-58.4-37.7-179.6-72.2135.5000112.3Y218 G241 G242 R247 E248 G249 E250 K253 A254 D257Y218-H245 AromaticContact CE1-CE1 3.62Å; G241-H245 PolarHBondContact O-N 3.49Å; G241-H245 PolarHBondContact O-ND1 3.06Å; G242-H245 PolarHBondContact O-N 2.83Å; H245-R247 VanDerWaalsContact C-N 3.29Å; H245-R247 PolarHBondContact O-N 3.06Å; H245-E248 PolarHBondContact O-N 3.28Å; H245-E248 VanDerWaalsContact O-N 3.15Å; H245-G249 PolarHBondContact O-N 3.46Å; H245-G249 VanDerWaalsContact O-N 3.17Å; H245-E250 HydrophobicContact CB-CB 4.26Å; H245-E250 IonicContact CD2-OE2 3.67Å; H245-E250 PolarHBondContact CD2-OE2 3.18Å; H245-E250 IonicContact NE2-OE2 2.79Å; H245-E250 PolarHBondContact O-N 3.33Å; H245-K253 HydrophobicContact CB-CB 4.34Å; H245-A254 HydrophobicContact CB-CB 3.76Å; H245-D257 IonicContact CE1-OD2 2.94Å; H245-D257 PolarHBondContact CE1-OD2 3.46Å; H245-D257 IonicContact ND1-OD2 2.74Å; H245-D257 PolarHBondContact ND1-OD2 3.03Å
246L90.4Very high91.1Very high3 Ų341.7 Ų41.72%0.01620%0.202CC..Hα-helixtrans-62.3-37177.2-150.877000112.5G242 M244 E248 G249 F251 A254 L282 A283 L286 F342G242-L246 WeakPolarHBondContact O-CB 3.27Å; G242-L246 PolarHBondContact O-N 3.05Å; M244-L246 VanDerWaalsContact C-N 3.26Å; M244-L246 PolarHBondContact O-N 3.02Å; L246-E248 VanDerWaalsContact C-N 3.34Å; L246-G249 PolarHBondContact O-N 3.35Å; L246-F251 HydrophobicContact CD1-CD1 3.77Å; L246-F251 HydrophobicContact CD1-CE1 4.31Å; L246-F251 HydrophobicContact CG-CD1 4.46Å; L246-A254 HydrophobicContact CB-CB 4.26Å; L246-A254 HydrophobicContact CD1-CB 3.79Å; L246-L282 HydrophobicContact CD2-CD2 4.06Å; L246-A283 HydrophobicContact CD1-CB 3.98Å; L246-L286 HydrophobicContact CD1-CD1 3.88Å; L246-L286 HydrophobicContact CD2-CD1 4.12Å; L246-L286 HydrophobicContact CG-CD1 4.16Å; L246-F342 HydrophobicContact CB-CZ 3.98Å; L246-F342 HydrophobicContact CD2-CE1 3.64Å; L246-F342 HydrophobicContact CD2-CE2 4.39Å; L246-F342 HydrophobicContact CD2-CZ 3.38Å; L246-F342 HydrophobicContact CG-CZ 4.31Å
247R88.3Confident91.3Very high113 Ų11341.4 Ų41.443%0.42620%0.2SC..Hα-helixtrans-73.2-25.5176.2-72.9176.9168.9171.7-2.7113.5N211 K243 M244 H245 G249 E345N211-R247 PolarHBondContact ND2-NH1 3.17Å; N211-R247 PolarHBondContact OD1-NH1 3.31Å; K243-R247 WeakPolarHBondContact O-CG 3.33Å; K243-R247 PolarHBondContact O-N 3.19Å; M244-R247 WeakPolarHBondContact O-CB 3.29Å; M244-R247 PolarHBondContact O-N 3.49Å; H245-R247 VanDerWaalsContact C-N 3.29Å; H245-R247 PolarHBondContact O-N 3.06Å; R247-G249 VanDerWaalsContact C-N 3.28Å; R247-E345 IonicContact NH2-OE2 3.91Å
248E87.9Confident91.4Very high88 Ų8841.2 Ų41.241%0.41120%0.199SC..THydrogen-bonded Turntrans-84.8-3.9175-61.7-166161.600112.7K215 M244 H245 L246 E250K215-E248 VanDerWaalsContact CD-OE1 3.27Å; K215-E248 WeakPolarHBondContact CD-OE1 3.48Å; K215-E248 WeakPolarHBondContact CE-OE1 3.44Å; K215-E248 IonicContact NZ-OE1 3.99Å; K215-E248 PolarHBondContact NZ-OE1 3.18Å; K215-E248 IonicContact NZ-OE2 3.93Å; K215-E248 PolarHBondContact NZ-OE2 3.13Å; M244-E248 PolarHBondContact O-N 3.19Å; H245-E248 PolarHBondContact O-N 3.28Å; H245-E248 VanDerWaalsContact O-N 3.15Å; L246-E248 VanDerWaalsContact C-N 3.34Å; E248-E250 VanDerWaalsContact C-N 3.27Å; E248-E250 HydrophobicContact CB-CG 4.46Å
249G87.4Confident91.4Very high37 Ų3741.8 Ų41.838%0.38120%0.203SC..THydrogen-bonded Turntrans78.28.7-176.700000113.8H245 L246 R247 F251H245-G249 PolarHBondContact O-N 3.46Å; H245-G249 VanDerWaalsContact O-N 3.17Å; L246-G249 PolarHBondContact O-N 3.35Å; R247-G249 VanDerWaalsContact C-N 3.28Å; G249-F251 VanDerWaalsContact C-N 3.28Å; G249-F251 WeakPolarHBondContact O-CD2 3.24Å; G249-F251 PolarHBondContact O-N 3.48Å
250E92.1Very high91.2Very high71 Ų7144.9 Ų44.933%0.33222%0.218SC..  trans-84.768177.2-63.2-167.3149.100110.8H245 E248 E252 K253 A254H245-E250 HydrophobicContact CB-CB 4.26Å; H245-E250 IonicContact CD2-OE2 3.67Å; H245-E250 PolarHBondContact CD2-OE2 3.18Å; H245-E250 IonicContact NE2-OE2 2.79Å; H245-E250 PolarHBondContact O-N 3.33Å; E248-E250 VanDerWaalsContact C-N 3.27Å; E248-E250 HydrophobicContact CB-CG 4.46Å; E250-E252 VanDerWaalsContact C-N 3.32Å; E250-E252 PolarHBondContact O-N 2.85Å; E250-K253 HydrophobicContact CB-CB 4.47Å; E250-K253 PolarHBondContact O-N 3.33Å; E250-K253 IonicContact OE1-NZ 3.79Å; E250-K253 PolarHBondContact OE1-NZ 3.45Å; E250-K253 VanDerWaalsContact OE2-CD 3.29Å; E250-K253 WeakPolarHBondContact OE2-CD 3.5Å; E250-K253 WeakPolarHBondContact OE2-CE 3.34Å; E250-K253 IonicContact OE2-NZ 2.89Å; E250-K253 PolarHBondContact OE2-NZ 2.64Å; E250-A254 PolarHBondContact O-N 2.93Å
251F91.2Very high91.3Very high45 Ų4544.4 Ų44.420%0.19721%0.214CC..Hα-helixtrans-61.2-34.5-171.9-54.8-59.1000114.3L246 G249 A254 H255 L286 M287L246-F251 HydrophobicContact CD1-CD1 3.77Å; L246-F251 HydrophobicContact CD1-CE1 4.31Å; L246-F251 HydrophobicContact CG-CD1 4.46Å; G249-F251 VanDerWaalsContact C-N 3.28Å; G249-F251 WeakPolarHBondContact O-CD2 3.24Å; G249-F251 PolarHBondContact O-N 3.48Å; F251-A254 PolarHBondContact O-N 2.92Å; F251-H255 WeakPolarHBondContact O-CB 3.33Å; F251-H255 PolarHBondContact O-N 3.13Å; F251-L286 HydrophobicContact CD1-CB 3.65Å; F251-L286 HydrophobicContact CD1-CD1 4.13Å; F251-L286 HydrophobicContact CD1-CG 4.44Å; F251-L286 HydrophobicContact CE1-CB 3.91Å; F251-L286 HydrophobicContact CE1-CD1 3.96Å; F251-L286 HydrophobicContact CE1-CD2 4.41Å; F251-L286 HydrophobicContact CE1-CG 4.32Å; F251-L286 HydrophobicContact CG-CB 4.02Å; F251-L286 HydrophobicContact CZ-CB 4.47Å; F251-M287 HydrophobicContact CB-CB 4.26Å
252E90.7Very high91.4Very high146 Ų14644.4 Ų44.468%0.68221%0.214SC*.Hα-helixtrans-67.8-44.4-180-172.3173.4-170.700111.8E250 H255 T256 M287E250-E252 VanDerWaalsContact C-N 3.32Å; E250-E252 PolarHBondContact O-N 2.85Å; E252-H255 WeakPolarHBondContact O-CB 3.49Å; E252-H255 PolarHBondContact O-N 2.82Å; E252-T256 PolarHBondContact O-N 2.99Å; E252-T256 VanDerWaalsContact O-N 3.12Å; E252-M287 HydrophobicContact CB-SD 4.18Å; E252-M287 HydrophobicContact CG-SD 4.17Å
253K91.8Very high91.3Very high100 Ų10047.9 Ų47.944%0.43523%0.23SC..Hα-helixtrans-66.4-41.5174.7-63.1-167.9-157.7151.50111.2H245 E250 H255 T256 D257H245-K253 HydrophobicContact CB-CB 4.34Å; E250-K253 HydrophobicContact CB-CB 4.47Å; E250-K253 PolarHBondContact O-N 3.33Å; E250-K253 IonicContact OE1-NZ 3.79Å; E250-K253 PolarHBondContact OE1-NZ 3.45Å; E250-K253 VanDerWaalsContact OE2-CD 3.29Å; E250-K253 WeakPolarHBondContact OE2-CD 3.5Å; E250-K253 WeakPolarHBondContact OE2-CE 3.34Å; E250-K253 IonicContact OE2-NZ 2.89Å; E250-K253 PolarHBondContact OE2-NZ 2.64Å; K253-H255 VanDerWaalsContact C-N 3.29Å; K253-H255 PolarHBondContact O-N 3.16Å; K253-T256 WeakPolarHBondContact CA-OG1 3.44Å; K253-T256 PolarHBondContact O-N 3.47Å; K253-T256 VanDerWaalsContact O-N 3.14Å; K253-T256 PolarHBondContact O-OG1 3.25Å; K253-D257 PolarHBondContact O-N 3.46Å
254A93.6Very high91.2Very high0 Ų047.3 Ų47.30%023%0.228CC..Hα-helixtrans-57.2-43.9175.400000111.8H245 L246 E250 F251 T256 D257 F258 A283H245-A254 HydrophobicContact CB-CB 3.76Å; L246-A254 HydrophobicContact CB-CB 4.26Å; L246-A254 HydrophobicContact CD1-CB 3.79Å; E250-A254 PolarHBondContact O-N 2.93Å; F251-A254 PolarHBondContact O-N 2.92Å; A254-T256 PolarHBondContact O-N 3.47Å; A254-D257 PolarHBondContact O-N 2.92Å; A254-F258 HydrophobicContact CB-CD2 4.42Å; A254-F258 HydrophobicContact CB-CE2 4.31Å; A254-F258 WeakPolarHBondContact O-CB 3.48Å; A254-F258 WeakPolarHBondContact O-CD2 3.17Å; A254-F258 WeakPolarHBondContact O-CG 3.36Å; A254-F258 PolarHBondContact O-N 3.33Å; A254-A283 HydrophobicContact CB-CB 4.48Å
255H92.1Very high91.3Very high39 Ų3946.3 Ų46.318%0.18122%0.223CC..Hα-helixtrans-59.3-46.5175.4177-85.4000111.8F251 E252 K253 F258 F259 A283 N284 M287F251-H255 WeakPolarHBondContact O-CB 3.33Å; F251-H255 PolarHBondContact O-N 3.13Å; E252-H255 WeakPolarHBondContact O-CB 3.49Å; E252-H255 PolarHBondContact O-N 2.82Å; K253-H255 VanDerWaalsContact C-N 3.29Å; K253-H255 PolarHBondContact O-N 3.16Å; H255-F258 PolarHBondContact O-N 2.93Å; H255-F259 VanDerWaalsContact O-CB 3.3Å; H255-F259 WeakPolarHBondContact O-CB 3.45Å; H255-F259 PolarHBondContact O-N 3.27Å; H255-A283 HydrophobicContact CB-CB 4.32Å; H255-N284 PolarHBondContact NE2-ND2 3.15Å; H255-M287 HydrophobicContact CB-SD 4.32Å
256T91.3Very high91.3Very high71 Ų7148 Ų4844%0.43623%0.233SC..Hα-helixtrans-62.7-4417856.20000112.8E252 K253 A254 F259 E260E252-T256 PolarHBondContact O-N 2.99Å; E252-T256 VanDerWaalsContact O-N 3.12Å; K253-T256 WeakPolarHBondContact CA-OG1 3.44Å; K253-T256 PolarHBondContact O-N 3.47Å; K253-T256 VanDerWaalsContact O-N 3.14Å; K253-T256 PolarHBondContact O-OG1 3.25Å; A254-T256 PolarHBondContact O-N 3.47Å; T256-F259 PolarHBondContact O-N 3.19Å; T256-E260 PolarHBondContact O-N 3.28Å
257D93.5Very high91.2Very high4 Ų454.3 Ų54.32%0.02126%0.262CS..Hα-helixtrans-65.9-44.2178.6-83.2-41.8000112Y218 R238 H245 K253 A254 F259 E260 A261Y218-D257 PolarHBondContact OH-OD1 3.14Å; Y218-D257 PolarHBondContact OH-OD2 3.12Å; R238-D257 WeakPolarHBondContact CD-OD1 3.35Å; R238-D257 IonicContact CZ-OD1 2.8Å; R238-D257 IonicContact NE-OD1 3.05Å; R238-D257 IonicContact NH1-OD1 2.69Å; R238-D257 PolarHBondContact NH1-OD1 3.15Å; H245-D257 IonicContact CE1-OD2 2.94Å; H245-D257 PolarHBondContact CE1-OD2 3.46Å; H245-D257 IonicContact ND1-OD2 2.74Å; H245-D257 PolarHBondContact ND1-OD2 3.03Å; K253-D257 PolarHBondContact O-N 3.46Å; A254-D257 PolarHBondContact O-N 2.92Å; D257-F259 VanDerWaalsContact C-N 3.29Å; D257-F259 PolarHBondContact O-N 2.89Å; D257-E260 PolarHBondContact O-N 2.79Å; D257-A261 VanDerWaalsContact O-CB 3.27Å; D257-A261 WeakPolarHBondContact O-CB 3.4Å; D257-A261 PolarHBondContact O-N 3.07Å
258F94.1Very high91.1Very high0 Ų050.9 Ų50.90%026%0.255CS..Hα-helixtrans-66-33.4177-73.9-50.9000112.4E239 K243 A254 H255 A261 F262 Y279 L280 A283 F342E239-F258 HydrophobicContact CG-CE1 4.49Å; K243-F258 HydrophobicContact CG-CE1 4.06Å; K243-F258 HydrophobicContact CG-CZ 3.88Å; K243-F258 VanDerWaalsContact N-CZ 3.3Å; A254-F258 HydrophobicContact CB-CD2 4.42Å; A254-F258 HydrophobicContact CB-CE2 4.31Å; A254-F258 WeakPolarHBondContact O-CB 3.48Å; A254-F258 WeakPolarHBondContact O-CD2 3.17Å; A254-F258 WeakPolarHBondContact O-CG 3.36Å; A254-F258 PolarHBondContact O-N 3.33Å; H255-F258 PolarHBondContact O-N 2.93Å; F258-A261 PolarHBondContact O-N 3.38Å; F258-F262 VanDerWaalsContact O-CB 3.28Å; F258-F262 WeakPolarHBondContact O-CB 3.37Å; F258-F262 PolarHBondContact O-N 3.21Å; F258-Y279 HydrophobicContact CD1-CD2 4.45Å; F258-Y279 AromaticContact CE1-CD2 3.91Å; F258-Y279 HydrophobicContact CE1-CD2 3.91Å; F258-Y279 HydrophobicContact CE1-CG 4.1Å; F258-Y279 HydrophobicContact CZ-CD2 4.45Å; F258-Y279 HydrophobicContact CZ-CG 4.27Å; F258-L280 HydrophobicContact CB-CB 4.07Å; F258-L280 HydrophobicContact CB-CD1 4.16Å; F258-A283 HydrophobicContact CD2-CB 3.93Å; F258-A283 HydrophobicContact CE2-CB 4.36Å; F258-F342 HydrophobicContact CZ-CE1 4.21Å; F258-F342 HydrophobicContact CZ-CZ 4.3Å
259F91.5Very high91.1Very high58 Ų5848.9 Ų48.925%0.25426%0.259SS..Hα-helixtrans-67.9-46.7176.2-171.7-106.2000111.2H255 T256 D257 A261 F262 K263 L280H255-F259 VanDerWaalsContact O-CB 3.3Å; H255-F259 WeakPolarHBondContact O-CB 3.45Å; H255-F259 PolarHBondContact O-N 3.27Å; T256-F259 PolarHBondContact O-N 3.19Å; D257-F259 VanDerWaalsContact C-N 3.29Å; D257-F259 PolarHBondContact O-N 2.89Å; F259-A261 VanDerWaalsContact C-N 3.34Å; F259-A261 PolarHBondContact O-N 3.31Å; F259-F262 PolarHBondContact O-N 3.22Å; F259-K263 HydrophobicContact CD1-CD 4.22Å; F259-K263 HydrophobicContact CE1-CD 3.73Å; F259-K263 HydrophobicContact CE1-CG 4.43Å; F259-K263 HydrophobicContact CZ-CD 4.15Å; F259-K263 WeakPolarHBondContact O-CG 3.47Å; F259-K263 PolarHBondContact O-N 3.39Å; F259-K263 VanDerWaalsContact O-N 3.07Å; F259-L280 HydrophobicContact CB-CD1 3.91Å; F259-L280 HydrophobicContact CD2-CD1 4.33Å; F259-L280 HydrophobicContact CD2-CD2 3.82Å
260E90.5Very high91Very high81 Ų8147.9 Ų47.938%0.37925%0.246SC..Hα-helixtrans-62.6-40.9173.6-73.1-170.3-168.900111.9R238 T256 D257 F262 K263 N264R238-E260 HydrophobicContact CG-CB 4.41Å; R238-E260 IonicContact CZ-OE2 2.97Å; R238-E260 IonicContact NE-OE2 2.8Å; R238-E260 PolarHBondContact NE-OE2 3.03Å; R238-E260 IonicContact NH2-OE1 3.2Å; R238-E260 IonicContact NH2-OE2 2.74Å; R238-E260 PolarHBondContact NH2-OE2 3.11Å; T256-E260 PolarHBondContact O-N 3.28Å; D257-E260 PolarHBondContact O-N 2.79Å; E260-F262 VanDerWaalsContact C-N 3.34Å; E260-F262 PolarHBondContact O-N 3.09Å; E260-K263 PolarHBondContact O-N 3.05Å; E260-N264 PolarHBondContact O-N 3.18Å; E260-N264 VanDerWaalsContact O-N 3.1Å; E260-N264 PolarHBondContact O-ND2 3.49Å
261A93Very high90.7Very high0 Ų049.7 Ų49.70%026%0.264CS..Hα-helixtrans-60.9-43.8175.900000111.6R238 E239 D257 F258 F259 N264 Y265R238-A261 HydrophobicContact CB-CB 3.71Å; E239-A261 HydrophobicContact CB-CB 4.4Å; D257-A261 VanDerWaalsContact O-CB 3.27Å; D257-A261 WeakPolarHBondContact O-CB 3.4Å; D257-A261 PolarHBondContact O-N 3.07Å; F258-A261 PolarHBondContact O-N 3.38Å; F259-A261 VanDerWaalsContact C-N 3.34Å; F259-A261 PolarHBondContact O-N 3.31Å; A261-N264 PolarHBondContact O-N 3.39Å; A261-Y265 HydrophobicContact CB-CE2 4.38Å; A261-Y265 WeakPolarHBondContact O-CD2 3.2Å; A261-Y265 PolarHBondContact O-N 3.2Å
262F92.8Very high90.6Very high0 Ų052.6 Ų52.60%027%0.274CS..Hα-helixtrans-61-47178173.6-106.4000111.9F258 F259 E260 N264 Y265 D266 R273 L277 E298 A299 Y302F258-F262 VanDerWaalsContact O-CB 3.28Å; F258-F262 WeakPolarHBondContact O-CB 3.37Å; F258-F262 PolarHBondContact O-N 3.21Å; F259-F262 PolarHBondContact O-N 3.22Å; E260-F262 VanDerWaalsContact C-N 3.34Å; E260-F262 PolarHBondContact O-N 3.09Å; F262-N264 VanDerWaalsContact C-N 3.33Å; F262-N264 PolarHBondContact O-N 3.4Å; F262-Y265 PolarHBondContact O-N 3.49Å; F262-Y265 VanDerWaalsContact O-N 3.15Å; F262-D266 WeakPolarHBondContact O-CB 3.38Å; F262-D266 PolarHBondContact O-N 3.44Å; F262-R273 HydrophobicContact CD2-CB 4.41Å; F262-R273 HydrophobicContact CE2-CB 4.28Å; F262-L277 HydrophobicContact CD2-CB 4Å; F262-L277 HydrophobicContact CD2-CD1 4.28Å; F262-L277 HydrophobicContact CE2-CB 3.93Å; F262-L277 HydrophobicContact CE2-CD1 4.08Å; F262-L277 HydrophobicContact CE2-CD2 4.05Å; F262-L277 HydrophobicContact CE2-CG 4.25Å; F262-L277 HydrophobicContact CZ-CD1 4.21Å; F262-L277 HydrophobicContact CZ-CD2 4.3Å; F262-E298 HydrophobicContact CD1-CB 4.46Å; F262-E298 HydrophobicContact CE1-CB 3.78Å; F262-A299 HydrophobicContact CE1-CB 4.3Å; F262-Y302 HydrophobicContact CE2-CE2 4.46Å; F262-Y302 AromaticContact CZ-CD2 3.9Å; F262-Y302 HydrophobicContact CZ-CD2 3.9Å; F262-Y302 AromaticContact CZ-CE2 3.87Å; F262-Y302 HydrophobicContact CZ-CE2 3.87Å
263K90.4Very high90.5Very high73 Ų7349.3 Ų49.332%0.31726%0.255SS..Hα-helixtrans-58.1-45.8176.6-69-17464.3138.90112F259 E260 Y265 D266 E267 E298F259-K263 HydrophobicContact CD1-CD 4.22Å; F259-K263 HydrophobicContact CE1-CD 3.73Å; F259-K263 HydrophobicContact CE1-CG 4.43Å; F259-K263 HydrophobicContact CZ-CD 4.15Å; F259-K263 WeakPolarHBondContact O-CG 3.47Å; F259-K263 PolarHBondContact O-N 3.39Å; F259-K263 VanDerWaalsContact O-N 3.07Å; E260-K263 PolarHBondContact O-N 3.05Å; K263-Y265 VanDerWaalsContact C-N 3.33Å; K263-Y265 PolarHBondContact O-N 3.42Å; K263-D266 PolarHBondContact O-N 2.99Å; K263-E267 WeakPolarHBondContact O-CG 3.38Å; K263-E267 PolarHBondContact O-N 3.44Å; K263-E298 WeakPolarHBondContact CE-OE1 3.47Å; K263-E298 HydrophobicContact CG-CG 4.4Å; K263-E298 IonicContact NZ-OE1 3.43Å; K263-E298 PolarHBondContact NZ-OE1 2.99Å
264N91.2Very high90.4Very high28 Ų2845.4 Ų45.415%0.1524%0.24CC..Hα-helixtrans-62.6-38.5176.7-79-61.2000112.7P231 E260 A261 F262 S268P231-N264 HydrophobicContact CB-CB 4.37Å; P231-N264 WeakPolarHBondContact O-CB 3.32Å; E260-N264 PolarHBondContact O-N 3.18Å; E260-N264 VanDerWaalsContact O-N 3.1Å; E260-N264 PolarHBondContact O-ND2 3.49Å; A261-N264 PolarHBondContact O-N 3.39Å; F262-N264 VanDerWaalsContact C-N 3.33Å; F262-N264 PolarHBondContact O-N 3.4Å; N264-S268 WeakPolarHBondContact O-CB 3.19Å; N264-S268 PolarHBondContact O-N 2.83Å; N264-S268 VanDerWaalsContact O-N 3.14Å; N264-S268 PolarHBondContact O-OG 3.49Å
265Y92.6Very high90.3Very high0 Ų047.6 Ų47.60%025%0.253CS..Hα-helixtrans-70.7-37.4176.3-75.5-47.8000113L232 G235 V236 E239 A261 F262 K263 S268 G269 S270 R272 C276L232-Y265 HydrophobicContact CD1-CD1 4.09Å; L232-Y265 HydrophobicContact CD1-CE1 3.93Å; G235-Y265 PolarHBondContact O-OH 2.98Å; V236-Y265 WeakPolarHBondContact CA-OH 3.3Å; V236-Y265 HydrophobicContact CG2-CE1 4.36Å; V236-Y265 WeakPolarHBondContact CG2-OH 3.49Å; V236-Y265 PolarHBondContact N-OH 3.43Å; E239-Y265 HydrophobicContact CB-CE2 4.28Å; E239-Y265 PolarHBondContact OE2-OH 3.34Å; A261-Y265 HydrophobicContact CB-CE2 4.38Å; A261-Y265 WeakPolarHBondContact O-CD2 3.2Å; A261-Y265 PolarHBondContact O-N 3.2Å; F262-Y265 PolarHBondContact O-N 3.49Å; F262-Y265 VanDerWaalsContact O-N 3.15Å; K263-Y265 VanDerWaalsContact C-N 3.33Å; K263-Y265 PolarHBondContact O-N 3.42Å; Y265-S268 WeakPolarHBondContact CA-OG 3.42Å; Y265-S268 PolarHBondContact O-N 3.25Å; Y265-S268 PolarHBondContact O-OG 3.04Å; Y265-G269 PolarHBondContact O-N 3.2Å; Y265-S270 PolarHBondContact O-N 2.88Å; Y265-S270 VanDerWaalsContact O-N 3.12Å; Y265-R272 HydrophobicContact CD1-CB 4.29Å; Y265-R272 HydrophobicContact CD2-CB 4.47Å; Y265-R272 HydrophobicContact CE1-CB 4.18Å; Y265-R272 HydrophobicContact CE2-CB 4.34Å; Y265-R272 HydrophobicContact CG-CB 4.45Å; Y265-C276 HydrophobicContact CD2-CB 3.86Å; Y265-C276 HydrophobicContact CE2-CB 4.2Å
266D90Very high90.3Very high51 Ų5145.8 Ų45.827%0.27325%0.245SC..Hα-helixtrans-63.1-48.9176-167.653.9000111.2F262 K263 S268 G269 Y302F262-D266 WeakPolarHBondContact O-CB 3.38Å; F262-D266 PolarHBondContact O-N 3.44Å; K263-D266 PolarHBondContact O-N 2.99Å; D266-S268 VanDerWaalsContact C-N 3.25Å; D266-S268 PolarHBondContact O-N 3.42Å; D266-G269 PolarHBondContact O-N 3.31Å; D266-Y302 PolarHBondContact OD1-OH 3.35Å
267E88.9Confident90.3Very high136 Ų13642.5 Ų42.564%0.63622%0.224SC*.Hα-helixtrans-59.4-35.2174.6-72.8177.6-169.900112.6P231 K263P231-E267 HydrophobicContact CB-CB 4.47Å; K263-E267 WeakPolarHBondContact O-CG 3.38Å; K263-E267 PolarHBondContact O-N 3.44Å
268S87.6Confident90.2Very high40 Ų4042.9 Ų42.928%0.2823%0.226SC..THydrogen-bonded Turntrans-81.7-9.5178.173.10000114.8N264 Y265 D266 S270N264-S268 WeakPolarHBondContact O-CB 3.19Å; N264-S268 PolarHBondContact O-N 2.83Å; N264-S268 VanDerWaalsContact O-N 3.14Å; N264-S268 PolarHBondContact O-OG 3.49Å; Y265-S268 WeakPolarHBondContact CA-OG 3.42Å; Y265-S268 PolarHBondContact O-N 3.25Å; Y265-S268 PolarHBondContact O-OG 3.04Å; D266-S268 VanDerWaalsContact C-N 3.25Å; D266-S268 PolarHBondContact O-N 3.42Å; S268-S270 PolarHBondContact O-N 2.9Å; S268-S270 WeakPolarHBondContact OG-CB 3.5Å; S268-S270 PolarHBondContact OG-N 3.4Å
269G86.6Confident90.1Very high47 Ų4743.6 Ų43.649%0.48523%0.228SC..THydrogen-bonded Turntrans65.320.1-174.400000114.8Y265 D266Y265-G269 PolarHBondContact O-N 3.2Å; D266-G269 PolarHBondContact O-N 3.31Å
270S85.3Confident90.2Very high16 Ų1640.9 Ų40.911%0.11222%0.217CC..  trans-71.5140.4-175.6176.40000112.1Y265 S268 R272 R273Y265-S270 PolarHBondContact O-N 2.88Å; Y265-S270 VanDerWaalsContact O-N 3.12Å; S268-S270 PolarHBondContact O-N 2.9Å; S268-S270 WeakPolarHBondContact OG-CB 3.5Å; S268-S270 PolarHBondContact OG-N 3.4Å; S270-R272 PolarHBondContact O-N 3.2Å; S270-R272 VanDerWaalsContact O-N 3.13Å; S270-R272 PolarHBondContact OG-N 3.41Å; S270-R273 WeakPolarHBondContact O-CB 3.38Å; S270-R273 WeakPolarHBondContact O-CG 3.44Å; S270-R273 PolarHBondContact O-N 3.14Å; S270-R273 VanDerWaalsContact O-N 3.14Å
271P86.3Confident90.2Very high108 Ų10837 Ų3770%0.70120%0.199SC*.THydrogen-bonded Turntrans-63.2-1917427.6-35.3000112.5R273 T274P271-R273 PolarHBondContact O-N 3.34Å; P271-R273 VanDerWaalsContact O-N 3.14Å; P271-T274 PolarHBondContact O-N 3.35Å; P271-T274 PolarHBondContact O-OG1 3.07Å
272R88.1Confident90Very high107 Ų10737 Ų3740%0.40420%0.199SC..Hα-helixtrans-65.6-11175.2-71.1-166.2171.9-156.91.7114.3E239 Y265 S270 T274 T275 C276E239-R272 IonicContact OE2-NH1 3.76Å; E239-R272 PolarHBondContact OE2-NH1 3.14Å; Y265-R272 HydrophobicContact CD1-CB 4.29Å; Y265-R272 HydrophobicContact CD2-CB 4.47Å; Y265-R272 HydrophobicContact CE1-CB 4.18Å; Y265-R272 HydrophobicContact CE2-CB 4.34Å; Y265-R272 HydrophobicContact CG-CB 4.45Å; S270-R272 PolarHBondContact O-N 3.2Å; S270-R272 VanDerWaalsContact O-N 3.13Å; S270-R272 PolarHBondContact OG-N 3.41Å; R272-T274 VanDerWaalsContact C-N 3.27Å; R272-T274 PolarHBondContact O-N 3.34Å; R272-T275 WeakPolarHBondContact CA-OG1 3.47Å; R272-T275 PolarHBondContact O-N 3.13Å; R272-T275 PolarHBondContact O-OG1 3.18Å; R272-C276 WeakPolarHBondContact O-CB 3.45Å; R272-C276 PolarHBondContact O-N 3.49Å
273R90.5Very high90Very high76 Ų7637 Ų3729%0.28720%0.199SC..Hα-helixtrans-59.4-37.4176.973.1-172.5175.2-153.3-5.4112.4F262 S270 P271 C276 L277 Y302F262-R273 HydrophobicContact CD2-CB 4.41Å; F262-R273 HydrophobicContact CE2-CB 4.28Å; S270-R273 WeakPolarHBondContact O-CB 3.38Å; S270-R273 WeakPolarHBondContact O-CG 3.44Å; S270-R273 PolarHBondContact O-N 3.14Å; S270-R273 VanDerWaalsContact O-N 3.14Å; P271-R273 PolarHBondContact O-N 3.34Å; P271-R273 VanDerWaalsContact O-N 3.14Å; R273-C276 PolarHBondContact O-N 2.76Å; R273-L277 VanDerWaalsContact O-CB 3.28Å; R273-L277 WeakPolarHBondContact O-CB 3.48Å; R273-L277 PolarHBondContact O-N 3.46Å; R273-Y302 WeakPolarHBondContact CD-OH 3.45Å; R273-Y302 PolarHBondContact NE-OH 3.48Å; R273-Y302 PolarHBondContact NH1-OH 3.25Å
274T89.1Confident89.9Confident19 Ų1933.8 Ų33.812%0.11719%0.185CC..Hα-helixtrans-69.7-43.5-177.956.60000110.9P271 R272 L277 K278 I308P271-T274 PolarHBondContact O-N 3.35Å; P271-T274 PolarHBondContact O-OG1 3.07Å; R272-T274 VanDerWaalsContact C-N 3.27Å; R272-T274 PolarHBondContact O-N 3.34Å; T274-L277 PolarHBondContact O-N 3.42Å; T274-K278 WeakPolarHBondContact O-CG 3.45Å; T274-K278 PolarHBondContact O-N 3.41Å; T274-K278 VanDerWaalsContact O-N 3.11Å; T274-I308 WeakPolarHBondContact O-CD1 3.48Å
275T90.8Very high89.7Confident46 Ų4632.6 Ų32.628%0.28218%0.178SC..Hα-helixtrans-65-43.9174.226.10000111.8R272 L277 K278 Y279R272-T275 WeakPolarHBondContact CA-OG1 3.47Å; R272-T275 PolarHBondContact O-N 3.13Å; R272-T275 PolarHBondContact O-OG1 3.18Å; T275-L277 VanDerWaalsContact C-N 3.29Å; T275-L277 PolarHBondContact O-N 3.08Å; T275-K278 WeakPolarHBondContact O-CB 3.34Å; T275-K278 PolarHBondContact O-N 3.42Å; T275-K278 VanDerWaalsContact O-N 3.15Å; T275-Y279 PolarHBondContact O-N 3.17Å
276C92.4Very high89.5Confident1 Ų132.7 Ų32.71%0.00718%0.179CC..Hα-helixtrans-61.9-37.3175.5-165.80000112.1Y265 R272 R273 K278 Y279 L280Y265-C276 HydrophobicContact CD2-CB 3.86Å; Y265-C276 HydrophobicContact CE2-CB 4.2Å; R272-C276 WeakPolarHBondContact O-CB 3.45Å; R272-C276 PolarHBondContact O-N 3.49Å; R273-C276 PolarHBondContact O-N 2.76Å; C276-K278 VanDerWaalsContact C-N 3.34Å; C276-K278 PolarHBondContact O-N 3.36Å; C276-Y279 PolarHBondContact O-N 3.08Å; C276-L280 PolarHBondContact O-N 3.14Å
277L91.3Very high89.3Confident1 Ų133.1 Ų33.11%0.00518%0.18CC..Hα-helixtrans-64.5-37.5175.6-172.956.4000111.8F262 R273 T274 T275 Y279 L280 V281 F294 A299 Y302 I308F262-L277 HydrophobicContact CD2-CB 4Å; F262-L277 HydrophobicContact CD2-CD1 4.28Å; F262-L277 HydrophobicContact CE2-CB 3.93Å; F262-L277 HydrophobicContact CE2-CD1 4.08Å; F262-L277 HydrophobicContact CE2-CD2 4.05Å; F262-L277 HydrophobicContact CE2-CG 4.25Å; F262-L277 HydrophobicContact CZ-CD1 4.21Å; F262-L277 HydrophobicContact CZ-CD2 4.3Å; R273-L277 VanDerWaalsContact O-CB 3.28Å; R273-L277 WeakPolarHBondContact O-CB 3.48Å; R273-L277 PolarHBondContact O-N 3.46Å; T274-L277 PolarHBondContact O-N 3.42Å; T275-L277 VanDerWaalsContact C-N 3.29Å; T275-L277 PolarHBondContact O-N 3.08Å; L277-Y279 VanDerWaalsContact C-N 3.33Å; L277-Y279 PolarHBondContact O-N 3.35Å; L277-L280 HydrophobicContact CD1-CD2 4.04Å; L277-L280 PolarHBondContact O-N 2.75Å; L277-V281 WeakPolarHBondContact O-CG2 3.47Å; L277-V281 PolarHBondContact O-N 3.37Å; L277-F294 HydrophobicContact CD1-CE1 4.33Å; L277-F294 HydrophobicContact CD2-CE1 3.99Å; L277-F294 HydrophobicContact CG-CE1 4.21Å; L277-A299 HydrophobicContact CD1-CB 3.98Å; L277-Y302 HydrophobicContact CD2-CG 4.18Å; L277-I308 HydrophobicContact CB-CD1 4.33Å; L277-I308 HydrophobicContact CD2-CD1 4.11Å; L277-I308 HydrophobicContact CD2-CG1 4.22Å; L277-I308 HydrophobicContact CD2-CG2 3.94Å; L277-I308 HydrophobicContact CG-CD1 4.41Å
278K91.7Very high88.9Confident13 Ų1332.9 Ų32.96%0.05718%0.177CC..Hα-helixtrans-59.3-43.7171.5-64.1176.9-178.21760111.2T274 T275 C276 V281 L282 E307 I308 M311 N336 I343T274-K278 WeakPolarHBondContact O-CG 3.45Å; T274-K278 PolarHBondContact O-N 3.41Å; T274-K278 VanDerWaalsContact O-N 3.11Å; T275-K278 WeakPolarHBondContact O-CB 3.34Å; T275-K278 PolarHBondContact O-N 3.42Å; T275-K278 VanDerWaalsContact O-N 3.15Å; C276-K278 VanDerWaalsContact C-N 3.34Å; C276-K278 PolarHBondContact O-N 3.36Å; K278-V281 PolarHBondContact O-N 3.39Å; K278-L282 WeakPolarHBondContact O-CB 3.39Å; K278-L282 PolarHBondContact O-N 2.79Å; K278-E307 IonicContact NZ-OE1 2.64Å; K278-E307 PolarHBondContact NZ-OE1 3.12Å; K278-I308 HydrophobicContact CG-CD1 4.23Å; K278-M311 HydrophobicContact CB-CE 4.42Å; K278-M311 HydrophobicContact CB-CG 4.27Å; K278-M311 HydrophobicContact CB-SD 4.42Å; K278-M311 HydrophobicContact CG-CG 3.81Å; K278-M311 HydrophobicContact CG-SD 4.36Å; K278-M311 WeakPolarHBondContact O-CE 3.31Å; K278-N336 PolarHBondContact NZ-O 2.93Å; K278-N336 VanDerWaalsContact NZ-O 3.08Å; K278-I343 HydrophobicContact CB-CD1 3.9Å; K278-I343 HydrophobicContact CD-CD1 4.28Å
279Y92.8Very high88.2Confident14 Ų1432 Ų326%0.05517%0.17CC..Hα-helixtrans-67.6-39.5177.8-56.3-32.7000113.2K243 F258 T275 C276 L277 V281 L282 A283 D340 F342 I343K243-Y279 PolarHBondContact NZ-OH 2.86Å; F258-Y279 HydrophobicContact CD1-CD2 4.45Å; F258-Y279 AromaticContact CE1-CD2 3.91Å; F258-Y279 HydrophobicContact CE1-CD2 3.91Å; F258-Y279 HydrophobicContact CE1-CG 4.1Å; F258-Y279 HydrophobicContact CZ-CD2 4.45Å; F258-Y279 HydrophobicContact CZ-CG 4.27Å; T275-Y279 PolarHBondContact O-N 3.17Å; C276-Y279 PolarHBondContact O-N 3.08Å; L277-Y279 VanDerWaalsContact C-N 3.33Å; L277-Y279 PolarHBondContact O-N 3.35Å; Y279-V281 VanDerWaalsContact C-N 3.33Å; Y279-V281 PolarHBondContact O-N 3.3Å; Y279-L282 PolarHBondContact O-N 3.35Å; Y279-A283 WeakPolarHBondContact O-CB 3.44Å; Y279-A283 PolarHBondContact O-N 3.11Å; Y279-D340 VanDerWaalsContact CE1-OD2 3.24Å; Y279-D340 WeakPolarHBondContact CE1-OD2 3.49Å; Y279-D340 PolarHBondContact OH-OD2 3.08Å; Y279-F342 AromaticContact CD1-CD1 3.63Å; Y279-F342 HydrophobicContact CD1-CD1 3.63Å; Y279-F342 AromaticContact CD1-CE1 3.93Å; Y279-F342 HydrophobicContact CD1-CE1 3.93Å; Y279-F342 HydrophobicContact CE1-CB 4.46Å; Y279-F342 AromaticContact CE1-CD1 3.57Å; Y279-F342 HydrophobicContact CE1-CD1 3.57Å; Y279-F342 HydrophobicContact CE1-CE1 4.3Å; Y279-F342 HydrophobicContact CE1-CG 4.42Å; Y279-F342 HydrophobicContact CG-CD1 4.36Å; Y279-F342 HydrophobicContact CG-CE1 4.3Å; Y279-I343 HydrophobicContact CD1-CD1 4.33Å; Y279-I343 HydrophobicContact CD1-CG1 4.01Å; Y279-I343 HydrophobicContact CE1-CD1 4.16Å; Y279-I343 HydrophobicContact CE1-CG1 3.85Å
280L91.9Very high87.1Confident1 Ų132.9 Ų32.91%0.00518%0.18CC..Hα-helixtrans-58.8-47.3174.4174.561.9000111.2F258 F259 C276 L277 A283 N284F258-L280 HydrophobicContact CB-CB 4.07Å; F258-L280 HydrophobicContact CB-CD1 4.16Å; F259-L280 HydrophobicContact CB-CD1 3.91Å; F259-L280 HydrophobicContact CD2-CD1 4.33Å; F259-L280 HydrophobicContact CD2-CD2 3.82Å; C276-L280 PolarHBondContact O-N 3.14Å; L277-L280 HydrophobicContact CD1-CD2 4.04Å; L277-L280 PolarHBondContact O-N 2.75Å; L280-A283 PolarHBondContact O-N 2.9Å; L280-N284 WeakPolarHBondContact O-CB 3.14Å; L280-N284 PolarHBondContact O-N 3.29Å
281V90.3Very high86.6Confident0 Ų037.9 Ų37.90%020%0.204CC..Hα-helixtrans-63.5-42.8179174.50000111L277 K278 Y279 N284 M285 P293 F294 M311 V315L277-V281 WeakPolarHBondContact O-CG2 3.47Å; L277-V281 PolarHBondContact O-N 3.37Å; K278-V281 PolarHBondContact O-N 3.39Å; Y279-V281 VanDerWaalsContact C-N 3.33Å; Y279-V281 PolarHBondContact O-N 3.3Å; V281-N284 WeakPolarHBondContact O-CB 3.39Å; V281-N284 PolarHBondContact O-N 3.02Å; V281-M285 HydrophobicContact CG1-CE 3.96Å; V281-M285 HydrophobicContact CG1-SD 4.45Å; V281-M285 WeakPolarHBondContact O-CG 3.37Å; V281-M285 PolarHBondContact O-N 3.07Å; V281-P293 HydrophobicContact CB-CG 4.38Å; V281-P293 HydrophobicContact CG1-CG 4.39Å; V281-P293 HydrophobicContact CG2-CB 4.36Å; V281-P293 HydrophobicContact CG2-CG 3.8Å; V281-F294 HydrophobicContact CG2-CE1 4.41Å; V281-F294 HydrophobicContact CG2-CE2 3.73Å; V281-F294 HydrophobicContact CG2-CZ 3.57Å; V281-M311 HydrophobicContact CB-CE 3.8Å; V281-M311 HydrophobicContact CG1-CB 4.18Å; V281-M311 HydrophobicContact CG1-CE 3.65Å; V281-V315 HydrophobicContact CB-CG2 4.5Å; V281-V315 HydrophobicContact CG1-CG2 3.13Å
282L90.4Very high86.1Confident1 Ų133.9 Ų33.91%0.00518%0.177CC..Hα-helixtrans-58.8-48.7174.7178.765.7000111.9L246 K278 Y279 N284 M285 L286 F342 I343 H346 L350L246-L282 HydrophobicContact CD2-CD2 4.06Å; K278-L282 WeakPolarHBondContact O-CB 3.39Å; K278-L282 PolarHBondContact O-N 2.79Å; Y279-L282 PolarHBondContact O-N 3.35Å; L282-N284 VanDerWaalsContact C-N 3.3Å; L282-N284 PolarHBondContact O-N 2.64Å; L282-M285 PolarHBondContact O-N 3.27Å; L282-L286 HydrophobicContact CD1-CD1 4.17Å; L282-L286 HydrophobicContact CG-CD1 3.99Å; L282-L286 WeakPolarHBondContact O-CG 3.41Å; L282-L286 PolarHBondContact O-N 3.19Å; L282-F342 HydrophobicContact CD2-CE1 4.46Å; L282-I343 HydrophobicContact CD2-CB 4.44Å; L282-I343 HydrophobicContact CD2-CG1 4.3Å; L282-I343 HydrophobicContact CD2-CG2 4.34Å; L282-H346 HydrophobicContact CD1-CB 4.3Å; L282-H346 HydrophobicContact CD2-CB 4.16Å; L282-L350 HydrophobicContact CD1-CD2 4.36Å
283A91.6Very high85.5Confident0 Ų029.2 Ų29.20%016%0.161CC..Hα-helixtrans-61.3-38.9177.900000112.1L246 A254 H255 F258 Y279 L280 L286 M287L246-A283 HydrophobicContact CD1-CB 3.98Å; A254-A283 HydrophobicContact CB-CB 4.48Å; H255-A283 HydrophobicContact CB-CB 4.32Å; F258-A283 HydrophobicContact CD2-CB 3.93Å; F258-A283 HydrophobicContact CE2-CB 4.36Å; Y279-A283 WeakPolarHBondContact O-CB 3.44Å; Y279-A283 PolarHBondContact O-N 3.11Å; L280-A283 PolarHBondContact O-N 2.9Å; A283-L286 PolarHBondContact O-N 3.08Å; A283-M287 WeakPolarHBondContact O-CB 3.39Å; A283-M287 PolarHBondContact O-N 3.5Å
284N89.4Confident85.1Confident5 Ų525.8 Ų25.83%0.02715%0.148CC..Hα-helixtrans-62.7-45.1176.3-173.2-79.9000112.2H255 L280 V281 L282 M287 S289 I291 P293H255-N284 PolarHBondContact NE2-ND2 3.15Å; L280-N284 WeakPolarHBondContact O-CB 3.14Å; L280-N284 PolarHBondContact O-N 3.29Å; V281-N284 WeakPolarHBondContact O-CB 3.39Å; V281-N284 PolarHBondContact O-N 3.02Å; L282-N284 VanDerWaalsContact C-N 3.3Å; L282-N284 PolarHBondContact O-N 2.64Å; N284-M287 PolarHBondContact O-N 3.02Å; N284-S289 VanDerWaalsContact CG-OG 3.26Å; N284-S289 PolarHBondContact ND2-OG 3.09Å; N284-S289 PolarHBondContact O-OG 3.14Å; N284-S289 PolarHBondContact OD1-OG 3.04Å; N284-S289 VanDerWaalsContact OD1-OG 3.07Å; N284-I291 PolarHBondContact ND2-O 3.2Å; N284-I291 PolarHBondContact OD1-O 3.19Å; N284-I291 VanDerWaalsContact OD1-O 3.05Å; N284-P293 HydrophobicContact CB-CG 4.36Å
285M86.9Confident84.7Confident2 Ų230.5 Ų30.51%0.0117%0.172CC..Hα-helixtrans-66-39.7177.5-62.3-176.6-68.900111.4V281 L282 M287 K288 M311 L314 V315 Y318 L350V281-M285 HydrophobicContact CG1-CE 3.96Å; V281-M285 HydrophobicContact CG1-SD 4.45Å; V281-M285 WeakPolarHBondContact O-CG 3.37Å; V281-M285 PolarHBondContact O-N 3.07Å; L282-M285 PolarHBondContact O-N 3.27Å; M285-M287 PolarHBondContact O-N 3.46Å; M285-K288 PolarHBondContact O-N 3.36Å; M285-K288 VanDerWaalsContact O-N 3.07Å; M285-M311 HydrophobicContact CE-CE 4.2Å; M285-L314 HydrophobicContact SD-CB 4.48Å; M285-V315 HydrophobicContact CG-CG2 4.16Å; M285-V315 HydrophobicContact SD-CG2 3.93Å; M285-Y318 HydrophobicContact CB-CD1 4.29Å; M285-Y318 HydrophobicContact CB-CD2 4.32Å; M285-Y318 HydrophobicContact CB-CE1 4.35Å; M285-Y318 HydrophobicContact CB-CE2 4.43Å; M285-Y318 HydrophobicContact CB-CG 4.29Å; M285-Y318 HydrophobicContact CG-CD1 4.28Å; M285-Y318 HydrophobicContact CG-CG 4.2Å; M285-Y318 VanDerWaalsContact O-CZ 3.29Å; M285-Y318 PolarHBondContact O-OH 2.86Å; M285-Y318 HydrophobicContact SD-CG 4.31Å; M285-L350 HydrophobicContact CB-CD1 3.63Å; M285-L350 HydrophobicContact CB-CD2 3.88Å; M285-L350 HydrophobicContact CB-CG 4.39Å; M285-L350 HydrophobicContact CE-CD2 3.53Å; M285-L350 HydrophobicContact SD-CD2 3.86Å
286L88Confident84.3Confident2 Ų229.6 Ų29.61%0.0117%0.168CC..Hα-helixtrans-67.4-32.5176.3-71.7166.3000113.5L246 F251 L282 A283 K288 H346 E349 L350L246-L286 HydrophobicContact CD1-CD1 3.88Å; L246-L286 HydrophobicContact CD2-CD1 4.12Å; L246-L286 HydrophobicContact CG-CD1 4.16Å; F251-L286 HydrophobicContact CD1-CB 3.65Å; F251-L286 HydrophobicContact CD1-CD1 4.13Å; F251-L286 HydrophobicContact CD1-CG 4.44Å; F251-L286 HydrophobicContact CE1-CB 3.91Å; F251-L286 HydrophobicContact CE1-CD1 3.96Å; F251-L286 HydrophobicContact CE1-CD2 4.41Å; F251-L286 HydrophobicContact CE1-CG 4.32Å; F251-L286 HydrophobicContact CG-CB 4.02Å; F251-L286 HydrophobicContact CZ-CB 4.47Å; L282-L286 HydrophobicContact CD1-CD1 4.17Å; L282-L286 HydrophobicContact CG-CD1 3.99Å; L282-L286 WeakPolarHBondContact O-CG 3.41Å; L282-L286 PolarHBondContact O-N 3.19Å; A283-L286 PolarHBondContact O-N 3.08Å; L286-K288 PolarHBondContact O-N 3.03Å; L286-K288 VanDerWaalsContact O-N 3.09Å; L286-H346 HydrophobicContact CD1-CB 4.1Å; L286-E349 HydrophobicContact CD2-CB 4.45Å; L286-E349 HydrophobicContact CD2-CG 4.21Å; L286-L350 HydrophobicContact CD2-CB 4.45Å; L286-L350 HydrophobicContact CD2-CD1 4.05Å; L286-L350 HydrophobicContact CG-CD1 4.29Å
287M85.7Confident83.8Confident60 Ų6037.8 Ų37.830%0.29621%0.206SC..THydrogen-bonded Turntrans-65-7.8171.8-172.517170.200112.7F251 E252 H255 A283 N284 M285 S289F251-M287 HydrophobicContact CB-CB 4.26Å; E252-M287 HydrophobicContact CB-SD 4.18Å; E252-M287 HydrophobicContact CG-SD 4.17Å; H255-M287 HydrophobicContact CB-SD 4.32Å; A283-M287 WeakPolarHBondContact O-CB 3.39Å; A283-M287 PolarHBondContact O-N 3.5Å; N284-M287 PolarHBondContact O-N 3.02Å; M285-M287 PolarHBondContact O-N 3.46Å; M287-S289 VanDerWaalsContact CE-OG 3.28Å; M287-S289 WeakPolarHBondContact CE-OG 3.42Å; M287-S289 PolarHBondContact O-N 2.99Å
288K81.2Confident83.3Confident131 Ų13140 Ų4057%0.5722%0.216SC*.THydrogen-bonded Turntrans58.225.5-175.9-54.3179.7-179.7-178.10112.6M285 L286 N353M285-K288 PolarHBondContact O-N 3.36Å; M285-K288 VanDerWaalsContact O-N 3.07Å; L286-K288 PolarHBondContact O-N 3.03Å; L286-K288 VanDerWaalsContact O-N 3.09Å; K288-N353 WeakPolarHBondContact CE-OD1 3.46Å; K288-N353 PolarHBondContact NZ-OD1 3.2Å; K288-N353 VanDerWaalsContact NZ-OD1 3.15Å
289S71.2Confident82.9Confident21 Ų2139.4 Ų39.415%0.14721%0.214CC..  trans-79137.217661.10000111.1N284 M287 I291N284-S289 VanDerWaalsContact CG-OG 3.26Å; N284-S289 PolarHBondContact ND2-OG 3.09Å; N284-S289 PolarHBondContact O-OG 3.14Å; N284-S289 PolarHBondContact OD1-OG 3.04Å; N284-S289 VanDerWaalsContact OD1-OG 3.07Å; M287-S289 VanDerWaalsContact CE-OG 3.28Å; M287-S289 WeakPolarHBondContact CE-OG 3.42Å; M287-S289 PolarHBondContact O-N 2.99Å; S289-I291 PolarHBondContact O-N 3.3Å
290G64.9Low82.6Confident66 Ų6645.5 Ų45.568%0.6824%0.241SC*.  trans-81.13.1172.500000114.2Q319G290-Q319 PolarHBondContact O-NE2 3.43Å
291I74.8Confident82.4Confident122 Ų12250 Ų5063%0.62627%0.269SS*.SBendtrans-84.4127.6-176.3-56.7173.2000108.6N284 S289 P293N284-I291 PolarHBondContact ND2-O 3.2Å; N284-I291 PolarHBondContact OD1-O 3.19Å; N284-I291 VanDerWaalsContact OD1-O 3.05Å; S289-I291 PolarHBondContact O-N 3.3Å; I291-P293 WeakPolarHBondContact O-CD 3.45Å
292N74.3Confident82.1Confident23 Ų2351.4 Ų51.412%0.12328%0.275CS..  trans-76.1120.8178.8-165.4-24.2000110.2F294 D295N292-F294 PolarHBondContact O-N 3.48Å; N292-F294 VanDerWaalsContact O-N 3.14Å; N292-F294 WeakPolarHBondContact OD1-CB 3.37Å; N292-F294 VanDerWaalsContact OD1-CD2 3.28Å; N292-F294 WeakPolarHBondContact OD1-CD2 3.05Å; N292-F294 PolarHBondContact OD1-N 3.49Å; N292-D295 WeakPolarHBondContact CB-OD2 3.45Å; N292-D295 WeakPolarHBondContact O-CB 3.48Å; N292-D295 PolarHBondContact O-N 3.34Å; N292-D295 VanDerWaalsContact O-N 3.08Å
293P77.3Confident81.7Confident10 Ų1055.4 Ų55.47%0.06529%0.292CS..G310 helixtrans-59.3-25.5177.122.8-33.3000112.9V281 N284 I291 D295 S296 V315V281-P293 HydrophobicContact CB-CG 4.38Å; V281-P293 HydrophobicContact CG1-CG 4.39Å; V281-P293 HydrophobicContact CG2-CB 4.36Å; V281-P293 HydrophobicContact CG2-CG 3.8Å; N284-P293 HydrophobicContact CB-CG 4.36Å; I291-P293 WeakPolarHBondContact O-CD 3.45Å; P293-D295 VanDerWaalsContact C-N 3.3Å; P293-D295 PolarHBondContact O-N 2.96Å; P293-S296 PolarHBondContact O-N 3.48Å; P293-S296 PolarHBondContact O-OG 3.43Å; P293-V315 HydrophobicContact CG-CG2 4.41Å
294F81.1Confident81.3Confident3 Ų361.9 Ų61.91%0.01333%0.327CS..G310 helixtrans-79.4-3.9178.8-61.5-72.7000114.9L277 V281 N292 S296 A299 K300 I308 M311 T312 V315L277-F294 HydrophobicContact CD1-CE1 4.33Å; L277-F294 HydrophobicContact CD2-CE1 3.99Å; L277-F294 HydrophobicContact CG-CE1 4.21Å; V281-F294 HydrophobicContact CG2-CE1 4.41Å; V281-F294 HydrophobicContact CG2-CE2 3.73Å; V281-F294 HydrophobicContact CG2-CZ 3.57Å; N292-F294 PolarHBondContact O-N 3.48Å; N292-F294 VanDerWaalsContact O-N 3.14Å; N292-F294 WeakPolarHBondContact OD1-CB 3.37Å; N292-F294 VanDerWaalsContact OD1-CD2 3.28Å; N292-F294 WeakPolarHBondContact OD1-CD2 3.05Å; N292-F294 PolarHBondContact OD1-N 3.49Å; F294-S296 VanDerWaalsContact C-N 3.27Å; F294-A299 HydrophobicContact CD1-CB 4.08Å; F294-K300 WeakPolarHBondContact O-CA 3.44Å; F294-I308 HydrophobicContact CE1-CG2 3.41Å; F294-I308 VanDerWaalsContact CE1-CG2 3.41Å; F294-I308 HydrophobicContact CZ-CG2 3.55Å; F294-M311 HydrophobicContact CZ-CB 4.39Å; F294-T312 HydrophobicContact CD2-CG2 4.47Å; F294-V315 HydrophobicContact CE2-CG2 4.38Å
295D80.6Confident81.2Confident118 Ų11864.2 Ų64.263%0.63134%0.34SS*.G310 helixtrans-79.4-13.8172.3-68.7-21.5000112.2N292 P293N292-D295 WeakPolarHBondContact CB-OD2 3.45Å; N292-D295 WeakPolarHBondContact O-CB 3.48Å; N292-D295 PolarHBondContact O-N 3.34Å; N292-D295 VanDerWaalsContact O-N 3.08Å; P293-D295 VanDerWaalsContact C-N 3.3Å; P293-D295 PolarHBondContact O-N 2.96Å
296S82.4Confident80.9Confident27 Ų2768.9 Ų68.919%0.18937%0.37CS..SBendtrans-63.6146.5171.6630000111.3P293 F294 E298 A299 K300P293-S296 PolarHBondContact O-N 3.48Å; P293-S296 PolarHBondContact O-OG 3.43Å; F294-S296 VanDerWaalsContact C-N 3.27Å; S296-E298 PolarHBondContact O-N 3.46Å; S296-A299 PolarHBondContact O-N 3.18Å; S296-A299 VanDerWaalsContact OG-CB 3.24Å; S296-A299 WeakPolarHBondContact OG-CB 3.29Å; S296-A299 PolarHBondContact OG-N 2.92Å; S296-K300 VanDerWaalsContact O-CB 3.29Å; S296-K300 WeakPolarHBondContact O-CB 3.38Å; S296-K300 PolarHBondContact O-N 2.96Å; S296-K300 VanDerWaalsContact O-N 3.07Å
297Q82.7Confident80.6Confident174 Ų17472.1 Ų72.181%0.81339%0.385SS*.THydrogen-bonded Turntrans-61.5-32.9-177.8-68.6-174.8-6.600111.5P301Q297-P301 WeakPolarHBondContact O-CD 3.33Å
298E80.7Confident80.7Confident48 Ų4869.3 Ų69.322%0.22437%0.371CS..THydrogen-bonded Turntrans-76.7-38-176.8-5791.7151.600112.5F262 K263 S296 Y302F262-E298 HydrophobicContact CD1-CB 4.46Å; F262-E298 HydrophobicContact CE1-CB 3.78Å; K263-E298 WeakPolarHBondContact CE-OE1 3.47Å; K263-E298 HydrophobicContact CG-CG 4.4Å; K263-E298 IonicContact NZ-OE1 3.43Å; K263-E298 PolarHBondContact NZ-OE1 2.99Å; S296-E298 PolarHBondContact O-N 3.46Å; E298-Y302 VanDerWaalsContact O-CD2 3.27Å; E298-Y302 WeakPolarHBondContact O-CD2 3.27Å; E298-Y302 WeakPolarHBondContact O-CE2 3.46Å
299A83.3Confident81Confident0 Ų066.5 Ų66.50%036%0.362CS..THydrogen-bonded Turntrans-90.2-19-178.500000113.9F262 L277 F294 S296 P301 Y302F262-A299 HydrophobicContact CE1-CB 4.3Å; L277-A299 HydrophobicContact CD1-CB 3.98Å; F294-A299 HydrophobicContact CD1-CB 4.08Å; S296-A299 PolarHBondContact O-N 3.18Å; S296-A299 VanDerWaalsContact OG-CB 3.24Å; S296-A299 WeakPolarHBondContact OG-CB 3.29Å; S296-A299 PolarHBondContact OG-N 2.92Å; A299-P301 VanDerWaalsContact C-CD 3.43Å; A299-Y302 WeakPolarHBondContact O-CB 3.48Å; A299-Y302 PolarHBondContact O-N 2.96Å; A299-Y302 VanDerWaalsContact O-N 3.08Å
300K85.5Confident81.8Confident142 Ų14265.6 Ų65.662%0.61736%0.356SS*.G310 helixtrans-55.5-40.8-177.7-171.7173.8-175.1175.80114.8F294 S296 Y302 K303F294-K300 WeakPolarHBondContact O-CA 3.44Å; S296-K300 VanDerWaalsContact O-CB 3.29Å; S296-K300 WeakPolarHBondContact O-CB 3.38Å; S296-K300 PolarHBondContact O-N 2.96Å; S296-K300 VanDerWaalsContact O-N 3.07Å; K300-Y302 PolarHBondContact O-N 3.01Å; K300-K303 WeakPolarHBondContact O-CB 3.45Å; K300-K303 PolarHBondContact O-N 3Å
301P87.6Confident82.9Confident94 Ų9462.6 Ų62.661%0.6132%0.324SS*.G310 helixtrans-63.5-30.7177.4-21.434000113.1Q297 A299 K303Q297-P301 WeakPolarHBondContact O-CD 3.33Å; A299-P301 VanDerWaalsContact C-CD 3.43Å; P301-K303 VanDerWaalsContact C-N 3.29Å; P301-K303 PolarHBondContact O-N 3.35Å
302Y84.9Confident83.6Confident31 Ų3157.2 Ų57.212%0.12230%0.297CS..G310 helixtrans-80.7-7.9-174.7-63.6-77.7000113.8F262 D266 R273 L277 E298 A299 K300 N304 D305F262-Y302 HydrophobicContact CE2-CE2 4.46Å; F262-Y302 AromaticContact CZ-CD2 3.9Å; F262-Y302 HydrophobicContact CZ-CD2 3.9Å; F262-Y302 AromaticContact CZ-CE2 3.87Å; F262-Y302 HydrophobicContact CZ-CE2 3.87Å; D266-Y302 PolarHBondContact OD1-OH 3.35Å; R273-Y302 WeakPolarHBondContact CD-OH 3.45Å; R273-Y302 PolarHBondContact NE-OH 3.48Å; R273-Y302 PolarHBondContact NH1-OH 3.25Å; L277-Y302 HydrophobicContact CD2-CG 4.18Å; E298-Y302 VanDerWaalsContact O-CD2 3.27Å; E298-Y302 WeakPolarHBondContact O-CD2 3.27Å; E298-Y302 WeakPolarHBondContact O-CE2 3.46Å; A299-Y302 WeakPolarHBondContact O-CB 3.48Å; A299-Y302 PolarHBondContact O-N 2.96Å; A299-Y302 VanDerWaalsContact O-N 3.08Å; K300-Y302 PolarHBondContact O-N 3.01Å; Y302-N304 PolarHBondContact O-N 3.24Å; Y302-N304 VanDerWaalsContact O-N 3.17Å; Y302-D305 WeakPolarHBondContact O-CB 3.26Å; Y302-D305 PolarHBondContact O-N 2.97Å; Y302-D305 VanDerWaalsContact O-N 3.12Å
303K82.1Confident84.3Confident85 Ų8559 Ų5937%0.3731%0.307SS..G310 helixtrans-58.7-32-176.3-171.5179178.5177.30113.7K300 P301 T312K300-K303 WeakPolarHBondContact O-CB 3.45Å; K300-K303 PolarHBondContact O-N 3Å; P301-K303 VanDerWaalsContact C-N 3.29Å; P301-K303 PolarHBondContact O-N 3.35Å; K303-T312 HydrophobicContact CD-CG2 4.23Å; K303-T312 HydrophobicContact CG-CG2 3.67Å
304N83.6Confident84.8Confident135 Ų13558.6 Ų58.672%0.72230%0.304SS*.G310 helixtrans-94.2-1.7-176.7-61.8-29.9000113.3Y302Y302-N304 PolarHBondContact O-N 3.24Å; Y302-N304 VanDerWaalsContact O-N 3.17Å
305D85.8Confident85.2Confident55 Ų5558.6 Ų58.629%0.29430%0.304SS..  trans-68.4126.8178.1-167.8-34.9000109.2Y302 E307 I308 L309Y302-D305 WeakPolarHBondContact O-CB 3.26Å; Y302-D305 PolarHBondContact O-N 2.97Å; Y302-D305 VanDerWaalsContact O-N 3.12Å; D305-E307 PolarHBondContact O-N 2.88Å; D305-E307 VanDerWaalsContact O-N 3.11Å; D305-E307 PolarHBondContact OD1-N 2.8Å; D305-I308 HydrophobicContact CB-CB 4.21Å; D305-I308 HydrophobicContact CB-CG1 4.22Å; D305-I308 CarbonylContact O-C 3.58Å; D305-I308 PolarHBondContact O-N 3.3Å; D305-L309 WeakPolarHBondContact O-CB 3.26Å; D305-L309 PolarHBondContact O-N 2.74Å
306P82.3Confident85.5Confident100 Ų10055.1 Ų55.165%0.64929%0.289SS*.Hα-helixtrans-55.5-30-177.521.7-35.2000113.7
307E81Confident85.8Confident70 Ų7054 Ų5433%0.32728%0.281SS..Hα-helixtrans-74.3-30.3178.6-159.5-175.1165.300112.6K278 D305K278-E307 IonicContact NZ-OE1 2.64Å; K278-E307 PolarHBondContact NZ-OE1 3.12Å; D305-E307 PolarHBondContact O-N 2.88Å; D305-E307 VanDerWaalsContact O-N 3.11Å; D305-E307 PolarHBondContact OD1-N 2.8Å
308I86.7Confident86Confident0 Ų046.2 Ų46.20%025%0.245CC..Hα-helixtrans-96.3-22.4-177.4-58.8-60000112T274 L277 K278 F294 D305 A310 M311 T312T274-I308 WeakPolarHBondContact O-CD1 3.48Å; L277-I308 HydrophobicContact CB-CD1 4.33Å; L277-I308 HydrophobicContact CD2-CD1 4.11Å; L277-I308 HydrophobicContact CD2-CG1 4.22Å; L277-I308 HydrophobicContact CD2-CG2 3.94Å; L277-I308 HydrophobicContact CG-CD1 4.41Å; K278-I308 HydrophobicContact CG-CD1 4.23Å; F294-I308 HydrophobicContact CE1-CG2 3.41Å; F294-I308 VanDerWaalsContact CE1-CG2 3.41Å; F294-I308 HydrophobicContact CZ-CG2 3.55Å; D305-I308 HydrophobicContact CB-CB 4.21Å; D305-I308 HydrophobicContact CB-CG1 4.22Å; D305-I308 CarbonylContact O-C 3.58Å; D305-I308 PolarHBondContact O-N 3.3Å; I308-A310 PolarHBondContact O-N 2.96Å; I308-A310 VanDerWaalsContact O-N 3.13Å; I308-M311 WeakPolarHBondContact O-CA 3.37Å; I308-M311 WeakPolarHBondContact O-CB 3.2Å; I308-M311 PolarHBondContact O-N 3.33Å; I308-T312 PolarHBondContact O-N 3.45Å; I308-T312 PolarHBondContact O-OG1 3.35Å
309L88.5Confident86.3Confident72 Ų7247.3 Ų47.338%0.37725%0.25SC..Hα-helixtrans-54.8-35.7179.6-173.565.3000111.9D305 M311 T312 N313D305-L309 WeakPolarHBondContact O-CB 3.26Å; D305-L309 PolarHBondContact O-N 2.74Å; L309-M311 VanDerWaalsContact C-N 3.33Å; L309-M311 PolarHBondContact O-N 3.47Å; L309-T312 WeakPolarHBondContact O-CB 3.39Å; L309-T312 PolarHBondContact O-N 2.98Å; L309-N313 WeakPolarHBondContact O-CB 3.31Å; L309-N313 PolarHBondContact O-N 3.22Å; L309-N313 PolarHBondContact O-ND2 2.8Å
310A88.4Confident86.5Confident2 Ų253.1 Ų53.12%0.01728%0.281CS..Hα-helixtrans-58.5-43.8173.500000112I308 N313 L314 N333 I337I308-A310 PolarHBondContact O-N 2.96Å; I308-A310 VanDerWaalsContact O-N 3.13Å; A310-N313 PolarHBondContact O-N 3.01Å; A310-L314 WeakPolarHBondContact O-CG 3.49Å; A310-L314 PolarHBondContact O-N 3.05Å; A310-N333 HydrophobicContact CB-CB 3.78Å; A310-I337 HydrophobicContact CB-CD1 4.08Å; A310-I337 HydrophobicContact CB-CG1 4.46Å
311M88.4Confident86.5Confident3 Ų348.2 Ų48.22%0.01526%0.261CS..Hα-helixtrans-69.9-39176.3-62.3-56.9-66.500112.2K278 V281 M285 F294 I308 L309 N313 L314 V315 I337K278-M311 HydrophobicContact CB-CE 4.42Å; K278-M311 HydrophobicContact CB-CG 4.27Å; K278-M311 HydrophobicContact CB-SD 4.42Å; K278-M311 HydrophobicContact CG-CG 3.81Å; K278-M311 HydrophobicContact CG-SD 4.36Å; K278-M311 WeakPolarHBondContact O-CE 3.31Å; V281-M311 HydrophobicContact CB-CE 3.8Å; V281-M311 HydrophobicContact CG1-CB 4.18Å; V281-M311 HydrophobicContact CG1-CE 3.65Å; M285-M311 HydrophobicContact CE-CE 4.2Å; F294-M311 HydrophobicContact CZ-CB 4.39Å; I308-M311 WeakPolarHBondContact O-CA 3.37Å; I308-M311 WeakPolarHBondContact O-CB 3.2Å; I308-M311 PolarHBondContact O-N 3.33Å; L309-M311 VanDerWaalsContact C-N 3.33Å; L309-M311 PolarHBondContact O-N 3.47Å; M311-N313 VanDerWaalsContact C-N 3.31Å; M311-N313 PolarHBondContact O-N 2.91Å; M311-L314 PolarHBondContact O-N 3.11Å; M311-L314 HydrophobicContact SD-CD1 4.03Å; M311-V315 WeakPolarHBondContact O-CG2 3.05Å; M311-V315 PolarHBondContact O-N 3.42Å; M311-I337 HydrophobicContact SD-CG1 4.44Å
312T88.8Confident86.4Confident10 Ų1046.7 Ų46.76%0.06125%0.248CC..Hα-helixtrans-57.1-46.8173.7-56.80000111.1F294 K303 I308 L309 V315 S316F294-T312 HydrophobicContact CD2-CG2 4.47Å; K303-T312 HydrophobicContact CD-CG2 4.23Å; K303-T312 HydrophobicContact CG-CG2 3.67Å; I308-T312 PolarHBondContact O-N 3.45Å; I308-T312 PolarHBondContact O-OG1 3.35Å; L309-T312 WeakPolarHBondContact O-CB 3.39Å; L309-T312 PolarHBondContact O-N 2.98Å; T312-V315 PolarHBondContact O-N 3.48Å; T312-S316 PolarHBondContact O-N 2.57Å; T312-S316 VanDerWaalsContact O-N 3.09Å
313N88.6Confident86.5Confident61 Ų6145.7 Ų45.733%0.32625%0.245SC..Hα-helixtrans-65.8-41.6178.9-66.4-19.1000111L309 A310 M311 V315 S316 A317 I329L309-N313 WeakPolarHBondContact O-CB 3.31Å; L309-N313 PolarHBondContact O-N 3.22Å; L309-N313 PolarHBondContact O-ND2 2.8Å; A310-N313 PolarHBondContact O-N 3.01Å; M311-N313 VanDerWaalsContact C-N 3.31Å; M311-N313 PolarHBondContact O-N 2.91Å; N313-V315 PolarHBondContact O-N 3.47Å; N313-S316 PolarHBondContact O-N 2.84Å; N313-S316 PolarHBondContact O-OG 3.17Å; N313-A317 PolarHBondContact O-N 3.33Å; N313-I329 HydrophobicContact CB-CD1 3.72Å; N313-I329 HydrophobicContact CB-CG1 4.2Å; N313-I329 HydrophobicContact CB-CG2 4.31Å
314L88.2Confident86.7Confident1 Ų145.7 Ų45.71%0.00525%0.252CS..Hα-helixtrans-59.1-44.9175.5-76.9178.4000112.5M285 A310 M311 S316 A317 Y318 F326 I329 L330 I337M285-L314 HydrophobicContact SD-CB 4.48Å; A310-L314 WeakPolarHBondContact O-CG 3.49Å; A310-L314 PolarHBondContact O-N 3.05Å; M311-L314 PolarHBondContact O-N 3.11Å; M311-L314 HydrophobicContact SD-CD1 4.03Å; L314-S316 VanDerWaalsContact C-N 3.3Å; L314-S316 PolarHBondContact O-N 3.24Å; L314-A317 PolarHBondContact O-N 2.8Å; L314-Y318 WeakPolarHBondContact O-CB 3.43Å; L314-Y318 PolarHBondContact O-N 3.1Å; L314-F326 HydrophobicContact CB-CE2 4.18Å; L314-F326 HydrophobicContact CD2-CD1 4.32Å; L314-F326 HydrophobicContact CD2-CD2 3.76Å; L314-F326 HydrophobicContact CD2-CE1 4.22Å; L314-F326 HydrophobicContact CD2-CE2 3.63Å; L314-F326 HydrophobicContact CD2-CG 4.1Å; L314-F326 HydrophobicContact CD2-CZ 3.86Å; L314-F326 HydrophobicContact CG-CE2 4.42Å; L314-I329 HydrophobicContact CD2-CB 3.93Å; L314-I329 HydrophobicContact CD2-CG2 3.64Å; L314-I329 HydrophobicContact CG-CG2 3.74Å; L314-L330 HydrophobicContact CD1-CD2 4.24Å; L314-L330 HydrophobicContact CD2-CD2 4.09Å; L314-L330 HydrophobicContact CD2-CG 4.15Å; L314-I337 HydrophobicContact CD1-CD1 3.66Å; L314-I337 HydrophobicContact CD1-CG1 4.48Å; L314-I337 HydrophobicContact CG-CD1 4.41Å
315V89.1Confident87Confident2 Ų242.5 Ų42.51%0.01223%0.233CC..Hα-helixtrans-60.5-43.2176.2172.40000110.8V281 M285 P293 F294 M311 T312 N313 A317 Y318 Q319V281-V315 HydrophobicContact CB-CG2 4.5Å; V281-V315 HydrophobicContact CG1-CG2 3.13Å; M285-V315 HydrophobicContact CG-CG2 4.16Å; M285-V315 HydrophobicContact SD-CG2 3.93Å; P293-V315 HydrophobicContact CG-CG2 4.41Å; F294-V315 HydrophobicContact CE2-CG2 4.38Å; M311-V315 WeakPolarHBondContact O-CG2 3.05Å; M311-V315 PolarHBondContact O-N 3.42Å; T312-V315 PolarHBondContact O-N 3.48Å; N313-V315 PolarHBondContact O-N 3.47Å; V315-A317 PolarHBondContact O-N 3.14Å; V315-Y318 WeakPolarHBondContact O-CB 3.38Å; V315-Y318 PolarHBondContact O-N 3.49Å; V315-Q319 HydrophobicContact CG1-CG 4.34Å; V315-Q319 WeakPolarHBondContact O-CG 3.19Å; V315-Q319 PolarHBondContact O-N 3.14Å
316S87.9Confident87.2Confident46 Ų4639.9 Ų39.932%0.32222%0.219SC..Hα-helixtrans-64.4-40.4179.273.50000112.4T312 N313 L314 Q319 N320T312-S316 PolarHBondContact O-N 2.57Å; T312-S316 VanDerWaalsContact O-N 3.09Å; N313-S316 PolarHBondContact O-N 2.84Å; N313-S316 PolarHBondContact O-OG 3.17Å; L314-S316 VanDerWaalsContact C-N 3.3Å; L314-S316 PolarHBondContact O-N 3.24Å; S316-Q319 PolarHBondContact O-N 3.3Å; S316-N320 WeakPolarHBondContact O-CB 3.48Å; S316-N320 VanDerWaalsContact O-CG 3.32Å; S316-N320 PolarHBondContact O-N 3.15Å; S316-N320 PolarHBondContact O-ND2 3.44Å
317A88.8Confident87.5Confident3 Ų336.5 Ų36.53%0.02519%0.194CC..Hα-helixtrans-66-39.8174.600000111.5N313 L314 V315 N320 N321 D322 E325 F326 I329N313-A317 PolarHBondContact O-N 3.33Å; L314-A317 PolarHBondContact O-N 2.8Å; V315-A317 PolarHBondContact O-N 3.14Å; A317-N320 PolarHBondContact O-N 3.31Å; A317-N321 PolarHBondContact O-N 3.02Å; A317-D322 PolarHBondContact O-N 3.37Å; A317-E325 HydrophobicContact CB-CB 4.38Å; A317-E325 HydrophobicContact CB-CG 4.45Å; A317-F326 HydrophobicContact CB-CB 4.08Å; A317-F326 HydrophobicContact CB-CD2 4.12Å; A317-I329 HydrophobicContact CB-CD1 3.98Å
318Y86.7Confident88Confident11 Ų1138.6 Ų38.64%0.04320%0.202CC..Hα-helixtrans-61-48.7174.8-171.7-93.6000111.7M285 L314 V315 N320 N321 L350 I354M285-Y318 HydrophobicContact CB-CD1 4.29Å; M285-Y318 HydrophobicContact CB-CD2 4.32Å; M285-Y318 HydrophobicContact CB-CE1 4.35Å; M285-Y318 HydrophobicContact CB-CE2 4.43Å; M285-Y318 HydrophobicContact CB-CG 4.29Å; M285-Y318 HydrophobicContact CG-CD1 4.28Å; M285-Y318 HydrophobicContact CG-CG 4.2Å; M285-Y318 VanDerWaalsContact O-CZ 3.29Å; M285-Y318 PolarHBondContact O-OH 2.86Å; M285-Y318 HydrophobicContact SD-CG 4.31Å; L314-Y318 WeakPolarHBondContact O-CB 3.43Å; L314-Y318 PolarHBondContact O-N 3.1Å; V315-Y318 WeakPolarHBondContact O-CB 3.38Å; V315-Y318 PolarHBondContact O-N 3.49Å; Y318-N320 VanDerWaalsContact C-N 3.32Å; Y318-N320 PolarHBondContact O-N 3.24Å; Y318-N321 PolarHBondContact O-N 3.49Å; Y318-L350 HydrophobicContact CD2-CD1 4.02Å; Y318-L350 HydrophobicContact CD2-CG 4.2Å; Y318-L350 HydrophobicContact CE2-CD1 3.49Å; Y318-L350 VanDerWaalsContact CE2-CD1 3.49Å; Y318-L350 HydrophobicContact CE2-CG 4.05Å; Y318-I354 HydrophobicContact CD2-CD1 3.58Å; Y318-I354 HydrophobicContact CD2-CG1 3.29Å; Y318-I354 HydrophobicContact CE2-CD1 4.15Å; Y318-I354 HydrophobicContact CE2-CG1 3.4Å; Y318-I354 VanDerWaalsContact CE2-CG1 3.4Å; Y318-I354 HydrophobicContact CG-CG1 4.39Å
319Q86.1Confident88.1Confident71 Ų7139 Ų3933%0.33220%0.204SC..Hα-helixtrans-62.1-38.5178.7-73.9179.4-1100112.6G290 V315 S316 N321G290-Q319 PolarHBondContact O-NE2 3.43Å; V315-Q319 HydrophobicContact CG1-CG 4.34Å; V315-Q319 WeakPolarHBondContact O-CG 3.19Å; V315-Q319 PolarHBondContact O-N 3.14Å; S316-Q319 PolarHBondContact O-N 3.3Å; Q319-N321 PolarHBondContact O-N 2.85Å; Q319-N321 PolarHBondContact O-ND2 3.41Å
320N86.8Confident88.1Confident122 Ų12236.1 Ų36.165%0.65219%0.189SC*.Hα-helixtrans-76-10.1176.4-68.7-27.8000113.1S316 A317 Y318 D322S316-N320 WeakPolarHBondContact O-CB 3.48Å; S316-N320 VanDerWaalsContact O-CG 3.32Å; S316-N320 PolarHBondContact O-N 3.15Å; S316-N320 PolarHBondContact O-ND2 3.44Å; A317-N320 PolarHBondContact O-N 3.31Å; Y318-N320 VanDerWaalsContact C-N 3.32Å; Y318-N320 PolarHBondContact O-N 3.24Å; N320-D322 VanDerWaalsContact C-N 3.29Å
321N85.6Confident88.1Confident39 Ų3943.7 Ų43.721%0.20922%0.222CC..THydrogen-bonded Turntrans56.440.7-171.8-50.6-86.5000112.1A317 Y318 Q319 Q357 V358A317-N321 PolarHBondContact O-N 3.02Å; Y318-N321 PolarHBondContact O-N 3.49Å; Q319-N321 PolarHBondContact O-N 2.85Å; Q319-N321 PolarHBondContact O-ND2 3.41Å; N321-Q357 WeakPolarHBondContact OD1-CG 3.46Å; N321-Q357 PolarHBondContact OD1-NE2 3.21Å; N321-Q357 PolarHBondContact OD1-OE1 2.87Å; N321-V358 HydrophobicContact CB-CG2 3.79Å; N321-V358 WeakPolarHBondContact O-CG2 3.25Å
322D86.7Confident88.1Confident62 Ų6248.4 Ų48.433%0.33225%0.251SS..  trans-100.2105.1179.7-171.2-20.2000110.4A317 N320 T324 E325 F326A317-D322 PolarHBondContact O-N 3.37Å; N320-D322 VanDerWaalsContact C-N 3.29Å; D322-T324 PolarHBondContact OD1-N 2.98Å; D322-T324 PolarHBondContact OD1-OG1 2.75Å; D322-E325 HydrophobicContact CB-CB 4.27Å; D322-E325 PolarHBondContact OD1-N 3.23Å; D322-E325 VanDerWaalsContact OD1-N 3.08Å; D322-F326 VanDerWaalsContact O-CB 3.27Å; D322-F326 WeakPolarHBondContact O-CB 3.41Å; D322-F326 PolarHBondContact O-N 2.85Å
323I85.7Confident88Confident9 Ų949.8 Ų49.85%0.04626%0.258CS..Hα-helixtrans-69.4-37.3-179.5-58.1158.8000110.7F326 E327 I354 R355 V358 L378I323-F326 PolarHBondContact O-N 3.2Å; I323-E327 HydrophobicContact CG2-CG 4.32Å; I323-E327 WeakPolarHBondContact O-CG 3.4Å; I323-E327 PolarHBondContact O-N 3.12Å; I323-I354 HydrophobicContact CG1-CG2 3.73Å; I323-R355 HydrophobicContact CD1-CG 3.94Å; I323-R355 HydrophobicContact CG1-CG 4.32Å; I323-V358 HydrophobicContact CD1-CB 3.93Å; I323-V358 HydrophobicContact CD1-CG1 4Å; I323-V358 HydrophobicContact CD1-CG2 3.85Å; I323-V358 HydrophobicContact CG1-CG2 4.03Å; I323-L378 HydrophobicContact CD1-CB 4.5Å; I323-L378 HydrophobicContact CD1-CD2 3.46Å; I323-L378 VanDerWaalsContact CD1-CD2 3.46Å
324T87.8Confident87.8Confident85 Ų8551.9 Ų51.952%0.52127%0.266SS..Hα-helixtrans-70-44.2-173.662.40000111.4D322 F326 K328D322-T324 PolarHBondContact OD1-N 2.98Å; D322-T324 PolarHBondContact OD1-OG1 2.75Å; T324-F326 VanDerWaalsContact C-N 3.35Å; T324-K328 VanDerWaalsContact O-CB 3.26Å; T324-K328 WeakPolarHBondContact O-CB 3.46Å; T324-K328 PolarHBondContact O-N 3.05Å
325E90.3Very high87.5Confident69 Ų6955 Ų5532%0.32229%0.287SS..Hα-helixtrans-68.3-38.3175.4-168.761.4-156.200110.4A317 D322 K328 I329A317-E325 HydrophobicContact CB-CB 4.38Å; A317-E325 HydrophobicContact CB-CG 4.45Å; D322-E325 HydrophobicContact CB-CB 4.27Å; D322-E325 PolarHBondContact OD1-N 3.23Å; D322-E325 VanDerWaalsContact OD1-N 3.08Å; E325-K328 PolarHBondContact O-N 3.07Å; E325-K328 IonicContact OE1-NZ 3.02Å; E325-K328 PolarHBondContact OE1-NZ 3.1Å; E325-K328 IonicContact OE2-NZ 2.88Å; E325-K328 PolarHBondContact OE2-NZ 3.38Å; E325-I329 HydrophobicContact CG-CD1 3.94Å; E325-I329 HydrophobicContact CG-CG1 4.43Å; E325-I329 WeakPolarHBondContact O-CD1 3.29Å; E325-I329 WeakPolarHBondContact O-CG1 3.31Å; E325-I329 PolarHBondContact O-N 3.25Å
326F88.8Confident87.1Confident0 Ų057.6 Ų57.60%030%0.301CS..Hα-helixtrans-60-49176.1-165.4-86000112.3L314 A317 D322 I323 T324 K328 I329 L330 I347 L350 L351 I354L314-F326 HydrophobicContact CB-CE2 4.18Å; L314-F326 HydrophobicContact CD2-CD1 4.32Å; L314-F326 HydrophobicContact CD2-CD2 3.76Å; L314-F326 HydrophobicContact CD2-CE1 4.22Å; L314-F326 HydrophobicContact CD2-CE2 3.63Å; L314-F326 HydrophobicContact CD2-CG 4.1Å; L314-F326 HydrophobicContact CD2-CZ 3.86Å; L314-F326 HydrophobicContact CG-CE2 4.42Å; A317-F326 HydrophobicContact CB-CB 4.08Å; A317-F326 HydrophobicContact CB-CD2 4.12Å; D322-F326 VanDerWaalsContact O-CB 3.27Å; D322-F326 WeakPolarHBondContact O-CB 3.41Å; D322-F326 PolarHBondContact O-N 2.85Å; I323-F326 PolarHBondContact O-N 3.2Å; T324-F326 VanDerWaalsContact C-N 3.35Å; F326-K328 VanDerWaalsContact C-N 3.34Å; F326-K328 PolarHBondContact O-N 3.45Å; F326-I329 PolarHBondContact O-N 3.41Å; F326-L330 HydrophobicContact CD1-CD1 3.9Å; F326-L330 HydrophobicContact CD1-CG 4.34Å; F326-L330 HydrophobicContact CE1-CD1 3.66Å; F326-L330 HydrophobicContact CE1-CG 4.22Å; F326-L330 WeakPolarHBondContact O-CG 3.35Å; F326-L330 PolarHBondContact O-N 3.32Å; F326-L330 VanDerWaalsContact O-N 3.09Å; F326-I347 HydrophobicContact CE1-CD1 4.3Å; F326-I347 HydrophobicContact CZ-CD1 4.17Å; F326-L350 HydrophobicContact CE2-CD2 4.27Å; F326-L350 HydrophobicContact CZ-CD2 3.78Å; F326-L350 HydrophobicContact CZ-CG 4.26Å; F326-L351 HydrophobicContact CD1-CD2 3.55Å; F326-L351 HydrophobicContact CD1-CG 4.36Å; F326-L351 HydrophobicContact CE1-CD2 3.76Å; F326-L351 HydrophobicContact CE1-CG 4.07Å; F326-I354 HydrophobicContact CB-CD1 4.34Å; F326-I354 HydrophobicContact CD1-CD1 3.94Å; F326-I354 HydrophobicContact CD2-CD1 3.48Å; F326-I354 VanDerWaalsContact CD2-CD1 3.48Å; F326-I354 HydrophobicContact CE1-CD1 4.05Å; F326-I354 HydrophobicContact CE2-CD1 3.62Å; F326-I354 HydrophobicContact CG-CD1 3.66Å; F326-I354 HydrophobicContact CZ-CD1 3.91Å
327E88.1Confident86.9Confident29 Ų2955.5 Ų55.514%0.13629%0.286CS..Hα-helixtrans-64.2-37.4176.8-73.5-178.5172.800112.4I323 L330 K331 L351 R355 N379I323-E327 HydrophobicContact CG2-CG 4.32Å; I323-E327 WeakPolarHBondContact O-CG 3.4Å; I323-E327 PolarHBondContact O-N 3.12Å; E327-L330 PolarHBondContact O-N 3.07Å; E327-K331 WeakPolarHBondContact O-CG 3.27Å; E327-K331 PolarHBondContact O-N 3.04Å; E327-L351 HydrophobicContact CG-CD2 4.25Å; E327-R355 IonicContact OE1-CZ 3.14Å; E327-R355 IonicContact OE1-NH2 3.98Å; E327-R355 PolarHBondContact OE1-NH2 3.27Å; E327-N379 PolarHBondContact OE2-ND2 3.31Å
328K91.3Very high86.6Confident113 Ų11357.1 Ų57.149%0.49129%0.294SS..Hα-helixtrans-65.5-41176.1177.4-176.9156.1-143.60112T324 E325 F326 K331 T332T324-K328 VanDerWaalsContact O-CB 3.26Å; T324-K328 WeakPolarHBondContact O-CB 3.46Å; T324-K328 PolarHBondContact O-N 3.05Å; E325-K328 PolarHBondContact O-N 3.07Å; E325-K328 IonicContact OE1-NZ 3.02Å; E325-K328 PolarHBondContact OE1-NZ 3.1Å; E325-K328 IonicContact OE2-NZ 2.88Å; E325-K328 PolarHBondContact OE2-NZ 3.38Å; F326-K328 VanDerWaalsContact C-N 3.34Å; F326-K328 PolarHBondContact O-N 3.45Å; K328-K331 PolarHBondContact O-N 3.17Å; K328-T332 WeakPolarHBondContact O-CB 3.26Å; K328-T332 PolarHBondContact O-N 3.5Å; K328-T332 PolarHBondContact O-OG1 2.52Å
329I90.5Very high86.6Confident8 Ų862.1 Ų62.14%0.04132%0.321CS..Hα-helixtrans-64-43.1176.2-66.7158.3000110.2N313 L314 A317 E325 F326 K331 T332 N333N313-I329 HydrophobicContact CB-CD1 3.72Å; N313-I329 HydrophobicContact CB-CG1 4.2Å; N313-I329 HydrophobicContact CB-CG2 4.31Å; L314-I329 HydrophobicContact CD2-CB 3.93Å; L314-I329 HydrophobicContact CD2-CG2 3.64Å; L314-I329 HydrophobicContact CG-CG2 3.74Å; A317-I329 HydrophobicContact CB-CD1 3.98Å; E325-I329 HydrophobicContact CG-CD1 3.94Å; E325-I329 HydrophobicContact CG-CG1 4.43Å; E325-I329 WeakPolarHBondContact O-CD1 3.29Å; E325-I329 WeakPolarHBondContact O-CG1 3.31Å; E325-I329 PolarHBondContact O-N 3.25Å; F326-I329 PolarHBondContact O-N 3.41Å; I329-K331 PolarHBondContact O-N 3Å; I329-T332 PolarHBondContact O-N 3.37Å; I329-N333 PolarHBondContact O-N 2.91Å; I329-N333 PolarHBondContact O-ND2 2.73Å
330L87.3Confident86.6Confident12 Ų1260 Ų606%0.06331%0.313CS..Hα-helixtrans-61.7-41175.8-72179.5000112.7L314 F326 E327 H334 I337 M338 I347 L351L314-L330 HydrophobicContact CD1-CD2 4.24Å; L314-L330 HydrophobicContact CD2-CD2 4.09Å; L314-L330 HydrophobicContact CD2-CG 4.15Å; F326-L330 HydrophobicContact CD1-CD1 3.9Å; F326-L330 HydrophobicContact CD1-CG 4.34Å; F326-L330 HydrophobicContact CE1-CD1 3.66Å; F326-L330 HydrophobicContact CE1-CG 4.22Å; F326-L330 WeakPolarHBondContact O-CG 3.35Å; F326-L330 PolarHBondContact O-N 3.32Å; F326-L330 VanDerWaalsContact O-N 3.09Å; E327-L330 PolarHBondContact O-N 3.07Å; L330-H334 WeakPolarHBondContact O-CA 3.31Å; L330-H334 PolarHBondContact O-N 3.15Å; L330-I337 HydrophobicContact CD2-CD1 4.09Å; L330-I337 HydrophobicContact CD2-CG2 3.93Å; L330-M338 HydrophobicContact CD1-CE 4.49Å; L330-M338 HydrophobicContact CD2-CE 4.44Å; L330-I347 HydrophobicContact CD1-CD1 4.41Å; L330-I347 HydrophobicContact CD1-CG1 3.95Å; L330-I347 HydrophobicContact CD2-CD1 4Å; L330-I347 HydrophobicContact CD2-CG1 4.07Å; L330-L351 HydrophobicContact CD1-CD1 4.43Å
331K87.9Confident86.6Confident161 Ų16158.1 Ų58.170%0.731%0.307SS*.Hα-helixtrans-68.2-40.7176.5-75.2176.2-178.7172.10112.6E327 K328 I329E327-K331 WeakPolarHBondContact O-CG 3.27Å; E327-K331 PolarHBondContact O-N 3.04Å; K328-K331 PolarHBondContact O-N 3.17Å; I329-K331 PolarHBondContact O-N 3Å
332T89.4Confident86.6Confident102 Ų10257 Ų5763%0.62630%0.3SS*.Hα-helixtrans-71.9-42.2-176.9-53.30000111.5K328 I329K328-T332 WeakPolarHBondContact O-CB 3.26Å; K328-T332 PolarHBondContact O-N 3.5Å; K328-T332 PolarHBondContact O-OG1 2.52Å; I329-T332 PolarHBondContact O-N 3.37Å
333N87.2Confident86.7Confident40 Ų4054.1 Ų54.121%0.21428%0.284CS..THydrogen-bonded Turntrans-106.538.2-176-58.6-72.6000111.9A310 I329 S335 N336 I337A310-N333 HydrophobicContact CB-CB 3.78Å; I329-N333 PolarHBondContact O-N 2.91Å; I329-N333 PolarHBondContact O-ND2 2.73Å; N333-S335 VanDerWaalsContact C-N 3.34Å; N333-S335 PolarHBondContact O-N 2.82Å; N333-N336 PolarHBondContact O-N 3.46Å; N333-I337 HydrophobicContact CB-CD1 4.07Å; N333-I337 PolarHBondContact O-N 3.12Å
334H83.1Confident86.8Confident105 Ų10560.5 Ų60.549%0.48631%0.308SS..Hα-helixtrans-56-45.9-173.5-174.5-74.4000112.4L330 N336 I337 M338L330-H334 WeakPolarHBondContact O-CA 3.31Å; L330-H334 PolarHBondContact O-N 3.15Å; H334-N336 VanDerWaalsContact C-N 3.35Å; H334-N336 PolarHBondContact O-N 3.45Å; H334-I337 PolarHBondContact O-N 3.44Å; H334-M338 VanDerWaalsContact O-CB 3.28Å; H334-M338 WeakPolarHBondContact O-CB 3.38Å; H334-M338 PolarHBondContact O-N 3.25Å
335S83.3Confident86.9Confident66 Ų6661.9 Ų61.946%0.46231%0.309SS..Hα-helixtrans-60.6-40.6179.854.90000112.8N333 I337 D339N333-S335 VanDerWaalsContact C-N 3.34Å; N333-S335 PolarHBondContact O-N 2.82Å; S335-I337 VanDerWaalsContact C-N 3.29Å; S335-I337 PolarHBondContact O-N 3.23Å; S335-D339 WeakPolarHBondContact CA-OD2 3.37Å; S335-D339 WeakPolarHBondContact O-CB 3.48Å
336N81.1Confident86.8Confident56 Ų5659 Ų5930%0.29930%0.295SS..Hα-helixtrans-75.9-19.1-172.5-64.7-14.5000113.7K278 N333 H334K278-N336 PolarHBondContact NZ-O 2.93Å; K278-N336 VanDerWaalsContact NZ-O 3.08Å; N333-N336 PolarHBondContact O-N 3.46Å; H334-N336 VanDerWaalsContact C-N 3.35Å; H334-N336 PolarHBondContact O-N 3.45Å
337I81.9Confident86.7Confident2 Ų259.6 Ų59.61%0.0130%0.298CS..Hα-helixtrans-115.5-48.5-172.2-61.2163.6000111.4A310 M311 L314 L330 N333 H334 S335 I343A310-I337 HydrophobicContact CB-CD1 4.08Å; A310-I337 HydrophobicContact CB-CG1 4.46Å; M311-I337 HydrophobicContact SD-CG1 4.44Å; L314-I337 HydrophobicContact CD1-CD1 3.66Å; L314-I337 HydrophobicContact CD1-CG1 4.48Å; L314-I337 HydrophobicContact CG-CD1 4.41Å; L330-I337 HydrophobicContact CD2-CD1 4.09Å; L330-I337 HydrophobicContact CD2-CG2 3.93Å; N333-I337 HydrophobicContact CB-CD1 4.07Å; N333-I337 PolarHBondContact O-N 3.12Å; H334-I337 PolarHBondContact O-N 3.44Å; S335-I337 VanDerWaalsContact C-N 3.29Å; S335-I337 PolarHBondContact O-N 3.23Å; I337-I343 HydrophobicContact CG2-CG2 3.96Å
338M82.4Confident86.6Confident37 Ų3762.1 Ų62.118%0.18231%0.31CS..Hα-helixtrans-84.6-16.6-171.8-64-64.6-158.800113.9L330 H334 D340 R344 I347L330-M338 HydrophobicContact CD1-CE 4.49Å; L330-M338 HydrophobicContact CD2-CE 4.44Å; H334-M338 VanDerWaalsContact O-CB 3.28Å; H334-M338 WeakPolarHBondContact O-CB 3.38Å; H334-M338 PolarHBondContact O-N 3.25Å; M338-D340 PolarHBondContact O-N 3.36Å; M338-R344 HydrophobicContact SD-CG 4.25Å; M338-I347 HydrophobicContact CE-CG2 4.26Å; M338-I347 HydrophobicContact SD-CG2 4.39Å
339D86.8Confident86.4Confident116 Ų11660.5 Ų60.562%0.6230%0.304SS*.THydrogen-bonded Turntrans-69.3-24.4175-67.5-7000111.2S335 P341S335-D339 WeakPolarHBondContact CA-OD2 3.37Å; S335-D339 WeakPolarHBondContact O-CB 3.48Å; D339-P341 WeakPolarHBondContact O-CD 3.38Å
340D87Confident86.2Confident28 Ų2860.1 Ų60.115%0.1530%0.302CS..SBendtrans-80113.6172.3-170.1-47.3000110.4Y279 M338 F342 I343 R344Y279-D340 VanDerWaalsContact CE1-OD2 3.24Å; Y279-D340 WeakPolarHBondContact CE1-OD2 3.49Å; Y279-D340 PolarHBondContact OH-OD2 3.08Å; M338-D340 PolarHBondContact O-N 3.36Å; D340-F342 VanDerWaalsContact C-N 3.26Å; D340-F342 PolarHBondContact O-N 3.06Å; D340-F342 WeakPolarHBondContact OD1-CA 3.19Å; D340-F342 VanDerWaalsContact OD1-CB 3.23Å; D340-F342 WeakPolarHBondContact OD1-CB 3.2Å; D340-F342 PolarHBondContact OD1-N 2.88Å; D340-I343 HydrophobicContact CB-CB 4.23Å; D340-I343 HydrophobicContact CB-CD1 3.9Å; D340-I343 HydrophobicContact CB-CG1 3.97Å; D340-I343 PolarHBondContact O-N 3.47Å; D340-I343 PolarHBondContact OD1-N 3.28Å; D340-R344 WeakPolarHBondContact O-CB 3.31Å; D340-R344 PolarHBondContact O-N 3.2Å; D340-R344 VanDerWaalsContact O-N 3.15Å
341P86Confident86.2Confident82 Ų8260.3 Ų60.353%0.53230%0.303SS..Hα-helixtrans-66.9-27-177.428.2-35000113.1D339 E345D339-P341 WeakPolarHBondContact O-CD 3.38Å; P341-E345 PolarHBondContact O-N 3.46Å
342F86.5Confident86.1Confident14 Ų1458.3 Ų58.36%0.06129%0.291CS..Hα-helixtrans-73.3-43.8179.2178.7-99.3000110.7K243 L246 F258 Y279 L282 D340 R344 E345 H346K243-F342 HydrophobicContact CB-CE2 3.88Å; K243-F342 HydrophobicContact CB-CZ 3.99Å; K243-F342 HydrophobicContact CG-CD2 4.29Å; K243-F342 HydrophobicContact CG-CE1 4.07Å; K243-F342 HydrophobicContact CG-CE2 3.8Å; K243-F342 HydrophobicContact CG-CZ 3.67Å; L246-F342 HydrophobicContact CB-CZ 3.98Å; L246-F342 HydrophobicContact CD2-CE1 3.64Å; L246-F342 HydrophobicContact CD2-CE2 4.39Å; L246-F342 HydrophobicContact CD2-CZ 3.38Å; L246-F342 HydrophobicContact CG-CZ 4.31Å; F258-F342 HydrophobicContact CZ-CE1 4.21Å; F258-F342 HydrophobicContact CZ-CZ 4.3Å; Y279-F342 AromaticContact CD1-CD1 3.63Å; Y279-F342 HydrophobicContact CD1-CD1 3.63Å; Y279-F342 AromaticContact CD1-CE1 3.93Å; Y279-F342 HydrophobicContact CD1-CE1 3.93Å; Y279-F342 HydrophobicContact CE1-CB 4.46Å; Y279-F342 AromaticContact CE1-CD1 3.57Å; Y279-F342 HydrophobicContact CE1-CD1 3.57Å; Y279-F342 HydrophobicContact CE1-CE1 4.3Å; Y279-F342 HydrophobicContact CE1-CG 4.42Å; Y279-F342 HydrophobicContact CG-CD1 4.36Å; Y279-F342 HydrophobicContact CG-CE1 4.3Å; L282-F342 HydrophobicContact CD2-CE1 4.46Å; D340-F342 VanDerWaalsContact C-N 3.26Å; D340-F342 PolarHBondContact O-N 3.06Å; D340-F342 WeakPolarHBondContact OD1-CA 3.19Å; D340-F342 VanDerWaalsContact OD1-CB 3.23Å; D340-F342 WeakPolarHBondContact OD1-CB 3.2Å; D340-F342 PolarHBondContact OD1-N 2.88Å; F342-R344 VanDerWaalsContact C-N 3.34Å; F342-R344 PolarHBondContact O-N 3.37Å; F342-E345 PolarHBondContact O-N 2.94Å; F342-H346 PolarHBondContact O-CD2 3.43Å
343I88.3Confident86Confident2 Ų254.5 Ų54.51%0.0127%0.267CS..Hα-helixtrans-64.8-42.8176.8-58.8178000110.6K278 Y279 L282 I337 D340 E345 H346 I347K278-I343 HydrophobicContact CB-CD1 3.9Å; K278-I343 HydrophobicContact CD-CD1 4.28Å; Y279-I343 HydrophobicContact CD1-CD1 4.33Å; Y279-I343 HydrophobicContact CD1-CG1 4.01Å; Y279-I343 HydrophobicContact CE1-CD1 4.16Å; Y279-I343 HydrophobicContact CE1-CG1 3.85Å; L282-I343 HydrophobicContact CD2-CB 4.44Å; L282-I343 HydrophobicContact CD2-CG1 4.3Å; L282-I343 HydrophobicContact CD2-CG2 4.34Å; I337-I343 HydrophobicContact CG2-CG2 3.96Å; D340-I343 HydrophobicContact CB-CB 4.23Å; D340-I343 HydrophobicContact CB-CD1 3.9Å; D340-I343 HydrophobicContact CB-CG1 3.97Å; D340-I343 PolarHBondContact O-N 3.47Å; D340-I343 PolarHBondContact OD1-N 3.28Å; I343-E345 PolarHBondContact O-N 2.93Å; I343-H346 PolarHBondContact O-N 3.19Å; I343-H346 VanDerWaalsContact O-N 3.12Å; I343-I347 PolarHBondContact O-N 2.93Å; I343-I347 VanDerWaalsContact O-N 3.08Å
344R88.6Confident86Confident143 Ų14352.6 Ų52.654%0.5426%0.257SS..Hα-helixtrans-59.9-32179.7-175178.961-172.9-5.4113.4M338 D340 F342 H346 I347M338-R344 HydrophobicContact SD-CG 4.25Å; D340-R344 WeakPolarHBondContact O-CB 3.31Å; D340-R344 PolarHBondContact O-N 3.2Å; D340-R344 VanDerWaalsContact O-N 3.15Å; F342-R344 VanDerWaalsContact C-N 3.34Å; F342-R344 PolarHBondContact O-N 3.37Å; R344-H346 VanDerWaalsContact C-N 3.29Å; R344-H346 PolarHBondContact O-N 2.95Å; R344-I347 WeakPolarHBondContact O-CG2 3.33Å
345E88.7Confident86.2Confident114 Ų11449.1 Ų49.153%0.53324%0.24SC..Hα-helixtrans-63.9-35.5177.7-169.6174.5170.600111.9R247 P341 F342 I343R247-E345 IonicContact NH2-OE2 3.91Å; P341-E345 PolarHBondContact O-N 3.46Å; F342-E345 PolarHBondContact O-N 2.94Å; I343-E345 PolarHBondContact O-N 2.93Å
346H88.9Confident86.5Confident10 Ų1047.1 Ų47.15%0.04623%0.225CC..Hα-helixtrans-100.1-8.9-174.8-64.3-73.7000114.4L282 L286 F342 I343 R344 E348 E349 L350L282-H346 HydrophobicContact CD1-CB 4.3Å; L282-H346 HydrophobicContact CD2-CB 4.16Å; L286-H346 HydrophobicContact CD1-CB 4.1Å; F342-H346 PolarHBondContact O-CD2 3.43Å; I343-H346 PolarHBondContact O-N 3.19Å; I343-H346 VanDerWaalsContact O-N 3.12Å; R344-H346 VanDerWaalsContact C-N 3.29Å; R344-H346 PolarHBondContact O-N 2.95Å; H346-E348 VanDerWaalsContact C-N 3.3Å; H346-E348 PolarHBondContact O-N 3.3Å; H346-E349 IonicContact ND1-OE2 3.69Å; H346-E349 PolarHBondContact O-N 3.38Å; H346-L350 PolarHBondContact O-N 3.1Å; H346-L350 VanDerWaalsContact O-N 3.12Å
347I87.4Confident86.7Confident12 Ų1248.8 Ų48.86%0.06223%0.231CC..Hα-helixtrans-66.4-33.4-177.2-157.465.5000112.7F326 L330 M338 I343 R344 L350 L351F326-I347 HydrophobicContact CE1-CD1 4.3Å; F326-I347 HydrophobicContact CZ-CD1 4.17Å; L330-I347 HydrophobicContact CD1-CD1 4.41Å; L330-I347 HydrophobicContact CD1-CG1 3.95Å; L330-I347 HydrophobicContact CD2-CD1 4Å; L330-I347 HydrophobicContact CD2-CG1 4.07Å; M338-I347 HydrophobicContact CE-CG2 4.26Å; M338-I347 HydrophobicContact SD-CG2 4.39Å; I343-I347 PolarHBondContact O-N 2.93Å; I343-I347 VanDerWaalsContact O-N 3.08Å; R344-I347 WeakPolarHBondContact O-CG2 3.33Å; I347-L350 HydrophobicContact CD1-CD2 4.41Å; I347-L350 PolarHBondContact O-N 3.08Å; I347-L351 PolarHBondContact O-N 2.89Å
348E85.3Confident87Confident82 Ų8250 Ų5038%0.38324%0.238SC..Hα-helixtrans-66.8-41.8178-179.657.2-147.100111.1H346 L350 L351 R352H346-E348 VanDerWaalsContact C-N 3.3Å; H346-E348 PolarHBondContact O-N 3.3Å; E348-L350 VanDerWaalsContact C-N 3.26Å; E348-L350 PolarHBondContact O-N 3.33Å; E348-L351 PolarHBondContact O-N 3.09Å; E348-R352 WeakPolarHBondContact O-CG 3.42Å; E348-R352 PolarHBondContact O-N 3.49Å; E348-R352 IonicContact OE1-CZ 3.6Å; E348-R352 IonicContact OE1-NE 3.84Å; E348-R352 PolarHBondContact OE1-NE 2.83Å; E348-R352 VanDerWaalsContact OE1-NE 3.14Å; E348-R352 IonicContact OE1-NH2 3.77Å
349E87Confident87.4Confident78 Ų7848.2 Ų48.236%0.36423%0.229SC..Hα-helixtrans-61.7-39.1173.6-173.8176.1-175.200111.1L286 H346 R352 N353L286-E349 HydrophobicContact CD2-CB 4.45Å; L286-E349 HydrophobicContact CD2-CG 4.21Å; H346-E349 IonicContact ND1-OE2 3.69Å; H346-E349 PolarHBondContact O-N 3.38Å; E349-R352 PolarHBondContact O-N 3.28Å; E349-N353 PolarHBondContact O-N 2.88Å; E349-N353 PolarHBondContact O-ND2 3.47Å
350L86.4Confident87.4Confident0 Ų045.3 Ų45.30%021%0.213CC..Hα-helixtrans-67.5-42.3178.8-16364.5000112.6L282 M285 L286 Y318 F326 H346 I347 E348 R352 N353 I354L282-L350 HydrophobicContact CD1-CD2 4.36Å; M285-L350 HydrophobicContact CB-CD1 3.63Å; M285-L350 HydrophobicContact CB-CD2 3.88Å; M285-L350 HydrophobicContact CB-CG 4.39Å; M285-L350 HydrophobicContact CE-CD2 3.53Å; M285-L350 HydrophobicContact SD-CD2 3.86Å; L286-L350 HydrophobicContact CD2-CB 4.45Å; L286-L350 HydrophobicContact CD2-CD1 4.05Å; L286-L350 HydrophobicContact CG-CD1 4.29Å; Y318-L350 HydrophobicContact CD2-CD1 4.02Å; Y318-L350 HydrophobicContact CD2-CG 4.2Å; Y318-L350 HydrophobicContact CE2-CD1 3.49Å; Y318-L350 VanDerWaalsContact CE2-CD1 3.49Å; Y318-L350 HydrophobicContact CE2-CG 4.05Å; F326-L350 HydrophobicContact CE2-CD2 4.27Å; F326-L350 HydrophobicContact CZ-CD2 3.78Å; F326-L350 HydrophobicContact CZ-CG 4.26Å; H346-L350 PolarHBondContact O-N 3.1Å; H346-L350 VanDerWaalsContact O-N 3.12Å; I347-L350 HydrophobicContact CD1-CD2 4.41Å; I347-L350 PolarHBondContact O-N 3.08Å; E348-L350 VanDerWaalsContact C-N 3.26Å; E348-L350 PolarHBondContact O-N 3.33Å; L350-R352 VanDerWaalsContact C-N 3.31Å; L350-R352 PolarHBondContact O-N 2.86Å; L350-N353 WeakPolarHBondContact O-CB 3.45Å; L350-N353 PolarHBondContact O-N 2.93Å; L350-I354 WeakPolarHBondContact O-CG1 3.43Å; L350-I354 PolarHBondContact O-N 3.07Å
351L87.1Confident87.5Confident16 Ų1651.3 Ų51.38%0.08424%0.238CC..Hα-helixtrans-58.8-43.1172.9-81.5170000111.7F326 E327 L330 I347 E348 N353 I354 R355F326-L351 HydrophobicContact CD1-CD2 3.55Å; F326-L351 HydrophobicContact CD1-CG 4.36Å; F326-L351 HydrophobicContact CE1-CD2 3.76Å; F326-L351 HydrophobicContact CE1-CG 4.07Å; E327-L351 HydrophobicContact CG-CD2 4.25Å; L330-L351 HydrophobicContact CD1-CD1 4.43Å; I347-L351 PolarHBondContact O-N 2.89Å; E348-L351 PolarHBondContact O-N 3.09Å; L351-N353 VanDerWaalsContact C-N 3.33Å; L351-N353 PolarHBondContact O-N 3.28Å; L351-I354 PolarHBondContact O-N 3.4Å; L351-R355 WeakPolarHBondContact O-CB 3.35Å; L351-R355 VanDerWaalsContact O-CG 3.23Å; L351-R355 WeakPolarHBondContact O-CG 3.49Å; L351-R355 PolarHBondContact O-N 3.2Å
352R86.7Confident87.7Confident119 Ų11948.7 Ų48.745%0.44922%0.219SC..Hα-helixtrans-61.9-40.7175.7-70174-172.8-153.62112E348 E349 L350 R355 T356E348-R352 WeakPolarHBondContact O-CG 3.42Å; E348-R352 PolarHBondContact O-N 3.49Å; E348-R352 IonicContact OE1-CZ 3.6Å; E348-R352 IonicContact OE1-NE 3.84Å; E348-R352 PolarHBondContact OE1-NE 2.83Å; E348-R352 VanDerWaalsContact OE1-NE 3.14Å; E348-R352 IonicContact OE1-NH2 3.77Å; E349-R352 PolarHBondContact O-N 3.28Å; L350-R352 VanDerWaalsContact C-N 3.31Å; L350-R352 PolarHBondContact O-N 2.86Å; R352-R355 PolarHBondContact O-N 2.84Å; R352-T356 WeakPolarHBondContact O-CB 3.41Å; R352-T356 PolarHBondContact O-N 2.83Å; R352-T356 PolarHBondContact O-OG1 3.49Å
353N86.4Confident87.8Confident23 Ų2348.5 Ų48.512%0.12322%0.219CC..Hα-helixtrans-62.3-47.1177.1-78.3-39.3000112.2K288 E349 L350 L351 T356 Q357K288-N353 WeakPolarHBondContact CE-OD1 3.46Å; K288-N353 PolarHBondContact NZ-OD1 3.2Å; K288-N353 VanDerWaalsContact NZ-OD1 3.15Å; E349-N353 PolarHBondContact O-N 2.88Å; E349-N353 PolarHBondContact O-ND2 3.47Å; L350-N353 WeakPolarHBondContact O-CB 3.45Å; L350-N353 PolarHBondContact O-N 2.93Å; L351-N353 VanDerWaalsContact C-N 3.33Å; L351-N353 PolarHBondContact O-N 3.28Å; N353-T356 WeakPolarHBondContact O-CB 3.5Å; N353-T356 PolarHBondContact O-N 3.47Å; N353-Q357 PolarHBondContact O-N 3.02Å
354I86.9Confident87.8Confident0 Ų055.4 Ų55.40%025%0.249CC..Hα-helixtrans-61.1-48.9176.4-58.3168.5000110.1Y318 I323 F326 L350 L351 T356 Q357 V358Y318-I354 HydrophobicContact CD2-CD1 3.58Å; Y318-I354 HydrophobicContact CD2-CG1 3.29Å; Y318-I354 HydrophobicContact CE2-CD1 4.15Å; Y318-I354 HydrophobicContact CE2-CG1 3.4Å; Y318-I354 VanDerWaalsContact CE2-CG1 3.4Å; Y318-I354 HydrophobicContact CG-CG1 4.39Å; I323-I354 HydrophobicContact CG1-CG2 3.73Å; F326-I354 HydrophobicContact CB-CD1 4.34Å; F326-I354 HydrophobicContact CD1-CD1 3.94Å; F326-I354 HydrophobicContact CD2-CD1 3.48Å; F326-I354 VanDerWaalsContact CD2-CD1 3.48Å; F326-I354 HydrophobicContact CE1-CD1 4.05Å; F326-I354 HydrophobicContact CE2-CD1 3.62Å; F326-I354 HydrophobicContact CG-CD1 3.66Å; F326-I354 HydrophobicContact CZ-CD1 3.91Å; L350-I354 WeakPolarHBondContact O-CG1 3.43Å; L350-I354 PolarHBondContact O-N 3.07Å; L351-I354 PolarHBondContact O-N 3.4Å; I354-T356 VanDerWaalsContact C-N 3.27Å; I354-T356 PolarHBondContact O-N 2.62Å; I354-Q357 PolarHBondContact O-N 3.32Å; I354-V358 HydrophobicContact CG2-CG2 4.22Å; I354-V358 WeakPolarHBondContact O-CG2 3.25Å; I354-V358 PolarHBondContact O-N 3.37Å
355R88Confident88Confident32 Ų3253.5 Ų53.512%0.12126%0.255CS..Hα-helixtrans-57.7-41.4179.5-73.3169.6-179.6165.31.9111.6I323 E327 L351 R352 Q357 V358 L359 L388I323-R355 HydrophobicContact CD1-CG 3.94Å; I323-R355 HydrophobicContact CG1-CG 4.32Å; E327-R355 IonicContact OE1-CZ 3.14Å; E327-R355 IonicContact OE1-NH2 3.98Å; E327-R355 PolarHBondContact OE1-NH2 3.27Å; L351-R355 WeakPolarHBondContact O-CB 3.35Å; L351-R355 VanDerWaalsContact O-CG 3.23Å; L351-R355 WeakPolarHBondContact O-CG 3.49Å; L351-R355 PolarHBondContact O-N 3.2Å; R352-R355 PolarHBondContact O-N 2.84Å; R355-Q357 PolarHBondContact O-N 3.29Å; R355-V358 PolarHBondContact O-N 2.86Å; R355-L359 WeakPolarHBondContact O-CB 3.39Å; R355-L359 PolarHBondContact O-N 3.33Å; R355-L388 HydrophobicContact CB-CD2 3.98Å
356T88.3Confident88.1Confident24 Ų2452.4 Ų52.415%0.14725%0.246CC..Hα-helixtrans-60.6-45175-56.90000111.5R352 N353 I354 L359 I360R352-T356 WeakPolarHBondContact O-CB 3.41Å; R352-T356 PolarHBondContact O-N 2.83Å; R352-T356 PolarHBondContact O-OG1 3.49Å; N353-T356 WeakPolarHBondContact O-CB 3.5Å; N353-T356 PolarHBondContact O-N 3.47Å; I354-T356 VanDerWaalsContact C-N 3.27Å; I354-T356 PolarHBondContact O-N 2.62Å; T356-L359 PolarHBondContact O-N 2.81Å; T356-I360 HydrophobicContact CG2-CD1 3.99Å; T356-I360 VanDerWaalsContact O-CG1 3.27Å; T356-I360 WeakPolarHBondContact O-CG1 3.48Å; T356-I360 PolarHBondContact O-N 2.83Å
357Q85.7Confident88Confident91 Ų9156 Ų5643%0.42527%0.269SS..Hα-helixtrans-68.5-41.3-178.8-168.5160.2-400112.6N321 N353 I354 R355 I360 K361N321-Q357 WeakPolarHBondContact OD1-CG 3.46Å; N321-Q357 PolarHBondContact OD1-NE2 3.21Å; N321-Q357 PolarHBondContact OD1-OE1 2.87Å; N353-Q357 PolarHBondContact O-N 3.02Å; I354-Q357 PolarHBondContact O-N 3.32Å; R355-Q357 PolarHBondContact O-N 3.29Å; Q357-I360 PolarHBondContact O-N 3.32Å; Q357-K361 PolarHBondContact O-N 3.18Å
358V88.5Confident88.2Confident27 Ų2762.3 Ų62.316%0.16429%0.292CS..Hα-helixtrans-63.4-44.4173.4176.60000110.7N321 I323 I354 R355 I360 K361 L362 L378N321-V358 HydrophobicContact CB-CG2 3.79Å; N321-V358 WeakPolarHBondContact O-CG2 3.25Å; I323-V358 HydrophobicContact CD1-CB 3.93Å; I323-V358 HydrophobicContact CD1-CG1 4Å; I323-V358 HydrophobicContact CD1-CG2 3.85Å; I323-V358 HydrophobicContact CG1-CG2 4.03Å; I354-V358 HydrophobicContact CG2-CG2 4.22Å; I354-V358 WeakPolarHBondContact O-CG2 3.25Å; I354-V358 PolarHBondContact O-N 3.37Å; R355-V358 PolarHBondContact O-N 2.86Å; V358-I360 PolarHBondContact O-N 3.12Å; V358-K361 PolarHBondContact O-N 2.95Å; V358-K361 VanDerWaalsContact O-N 3.15Å; V358-L362 WeakPolarHBondContact O-CB 3.42Å; V358-L362 PolarHBondContact O-N 2.87Å; V358-L378 HydrophobicContact CB-CD2 3.96Å; V358-L378 HydrophobicContact CG1-CD2 3.62Å
359L90.1Very high88.6Confident0 Ų058.7 Ų58.70%028%0.275CS..Hα-helixtrans-58.5-47.6177.7178.361.5000111.7R355 T356 K361 L362 I363 I374 L378 L388 L389 I398R355-L359 WeakPolarHBondContact O-CB 3.39Å; R355-L359 PolarHBondContact O-N 3.33Å; T356-L359 PolarHBondContact O-N 2.81Å; L359-K361 VanDerWaalsContact C-N 3.26Å; L359-K361 PolarHBondContact O-N 3.41Å; L359-L362 PolarHBondContact O-N 3.4Å; L359-L362 VanDerWaalsContact O-N 3.12Å; L359-I363 HydrophobicContact CD1-CG2 3.8Å; L359-I363 HydrophobicContact CG-CG2 4.43Å; L359-I363 WeakPolarHBondContact O-CG1 3.33Å; L359-I363 WeakPolarHBondContact O-CG2 3.25Å; L359-I363 PolarHBondContact O-N 2.92Å; L359-I374 HydrophobicContact CD1-CD1 4.14Å; L359-I374 HydrophobicContact CD1-CG1 4.41Å; L359-I374 HydrophobicContact CD1-CG2 3.59Å; L359-L378 HydrophobicContact CB-CD1 4.33Å; L359-L378 HydrophobicContact CD1-CD1 4.33Å; L359-L388 HydrophobicContact CD2-CD2 4.11Å; L359-L388 HydrophobicContact CD2-CG 4.35Å; L359-L389 HydrophobicContact CD1-CD2 4.37Å; L359-L389 HydrophobicContact CD2-CD2 3.81Å; L359-L389 HydrophobicContact CD2-CG 4.39Å; L359-I398 HydrophobicContact CD2-CD1 3.63Å; L359-I398 HydrophobicContact CG-CD1 3.88Å
360I88.1Confident89Confident55 Ų5560.4 Ų60.428%0.28228%0.283SS..Hα-helixtrans-59-39.5177.3-69.5164.4000111.1T356 Q357 V358 K364 I398T356-I360 HydrophobicContact CG2-CD1 3.99Å; T356-I360 VanDerWaalsContact O-CG1 3.27Å; T356-I360 WeakPolarHBondContact O-CG1 3.48Å; T356-I360 PolarHBondContact O-N 2.83Å; Q357-I360 PolarHBondContact O-N 3.32Å; V358-I360 PolarHBondContact O-N 3.12Å; I360-K364 WeakPolarHBondContact O-CG 3.44Å; I360-I398 HydrophobicContact CG1-CG1 4.19Å
361K87.8Confident89.3Confident153 Ų15360.4 Ų60.467%0.66528%0.283SS*.Hα-helixtrans-70.4-38177.1-171.4176176.4-175.40111.8Q357 V358 L359Q357-K361 PolarHBondContact O-N 3.18Å; V358-K361 PolarHBondContact O-N 2.95Å; V358-K361 VanDerWaalsContact O-N 3.15Å; L359-K361 VanDerWaalsContact C-N 3.26Å; L359-K361 PolarHBondContact O-N 3.41Å
362L90.3Very high89.6Confident27 Ų2762.2 Ų62.214%0.14130%0.296CS..Hα-helixtrans-68.8-40.3-178.5-175.465.5000112.5V358 L359 P365 Y366 I369 F373 I374 E377V358-L362 WeakPolarHBondContact O-CB 3.42Å; V358-L362 PolarHBondContact O-N 2.87Å; L359-L362 PolarHBondContact O-N 3.4Å; L359-L362 VanDerWaalsContact O-N 3.12Å; L362-P365 WeakPolarHBondContact O-CD 3.48Å; L362-Y366 WeakPolarHBondContact O-CD2 3.2Å; L362-Y366 VanDerWaalsContact O-CE2 3.25Å; L362-Y366 WeakPolarHBondContact O-CE2 3.42Å; L362-I369 HydrophobicContact CG-CD1 4.44Å; L362-F373 HydrophobicContact CD1-CE1 4.34Å; L362-I374 HydrophobicContact CD2-CG1 4.35Å; L362-E377 HydrophobicContact CD1-CG 3.98Å; L362-E377 HydrophobicContact CD2-CB 3.86Å; L362-E377 HydrophobicContact CD2-CG 3.81Å
363I89.9Confident89.9Confident11 Ų1160.7 Ų60.76%0.05629%0.293CS..Hα-helixtrans-78.4-23.7-175.766.3-177.6000113.5L359 P365 Y366 I369 I398 L409 L411L359-I363 HydrophobicContact CD1-CG2 3.8Å; L359-I363 HydrophobicContact CG-CG2 4.43Å; L359-I363 WeakPolarHBondContact O-CG1 3.33Å; L359-I363 WeakPolarHBondContact O-CG2 3.25Å; L359-I363 PolarHBondContact O-N 2.92Å; I363-P365 VanDerWaalsContact C-CD 3.47Å; I363-Y366 PolarHBondContact O-N 3.18Å; I363-I369 HydrophobicContact CG2-CD1 4.44Å; I363-I369 HydrophobicContact CG2-CG2 4.41Å; I363-I398 HydrophobicContact CD1-CB 4.35Å; I363-I398 HydrophobicContact CD1-CD1 3.83Å; I363-I398 HydrophobicContact CD1-CG1 3.79Å; I363-I398 HydrophobicContact CD1-CG2 3.73Å; I363-L409 HydrophobicContact CG2-CD2 4.06Å; I363-L411 HydrophobicContact CB-CD1 3.95Å; I363-L411 HydrophobicContact CD1-CD2 4.18Å; I363-L411 HydrophobicContact CG1-CD1 4.37Å; I363-L411 VanDerWaalsContact O-CD1 3.27Å; I363-L411 WeakPolarHBondContact O-CD1 3.34Å
364K88.2Confident90.2Very high147 Ų14759.6 Ų59.664%0.63929%0.287SS*.THydrogen-bonded Turntrans-47.3-45.3-176.2-91.4177.6-178-175.90115.9I360 Y366I360-K364 WeakPolarHBondContact O-CG 3.44Å; K364-Y366 VanDerWaalsContact C-N 3.32Å
365P91.4Very high90.5Very high102 Ų10260.5 Ų60.566%0.66229%0.293SS*.THydrogen-bonded Turntrans-79.7-9.4-17929.8-34.6000114.3L362 I363L362-P365 WeakPolarHBondContact O-CD 3.48Å; I363-P365 VanDerWaalsContact C-CD 3.47Å
366Y90.8Very high90.6Very high91 Ų9167.2 Ų67.236%0.35732%0.323SS..  trans-101.9149.6-174.7-60.2-81.1000111.6L362 I363 K364 I369 L411L362-Y366 WeakPolarHBondContact O-CD2 3.2Å; L362-Y366 VanDerWaalsContact O-CE2 3.25Å; L362-Y366 WeakPolarHBondContact O-CE2 3.42Å; I363-Y366 PolarHBondContact O-N 3.18Å; K364-Y366 VanDerWaalsContact C-N 3.32Å; Y366-I369 HydrophobicContact CD2-CD1 3.76Å; Y366-I369 HydrophobicContact CD2-CG1 4.49Å; Y366-I369 HydrophobicContact CE2-CD1 4.11Å; Y366-I369 HydrophobicContact CG-CB 4.33Å; Y366-I369 HydrophobicContact CG-CD1 4.2Å; Y366-I369 HydrophobicContact CG-CG1 4.46Å; Y366-L411 WeakPolarHBondContact O-CD1 3.14Å
367T88.3Confident90.6Very high86 Ų8671.3 Ų71.353%0.52834%0.34SS..SBendtrans-98.9-36.4167.744.90000111.5L411 Y413T367-L411 PolarHBondContact O-N 3.25Å; T367-Y413 HydrophobicContact CG2-CD2 4.07Å; T367-Y413 HydrophobicContact CG2-CG 4.42Å
368R91.3Very high90.6Very high145 Ų14567 Ų6755%0.54732%0.32SS..EExtended strand (participates in β ladder)trans-133129.1173.1-64.5174.367.4-169.22.6107.7L409 E410R368-L409 WeakPolarHBondContact CA-O 3.1Å; R368-E410 HydrophobicContact CG-CG 4.24Å
369I94.1Very high90.5Very high5 Ų570.5 Ų70.53%0.02634%0.338CS..EExtended strand (participates in β ladder)trans-133.4137.7-177.8-173.2172.3000109.8L362 I363 Y366 F373 I374 L408 L409L362-I369 HydrophobicContact CG-CD1 4.44Å; I363-I369 HydrophobicContact CG2-CD1 4.44Å; I363-I369 HydrophobicContact CG2-CG2 4.41Å; Y366-I369 HydrophobicContact CD2-CD1 3.76Å; Y366-I369 HydrophobicContact CD2-CG1 4.49Å; Y366-I369 HydrophobicContact CE2-CD1 4.11Å; Y366-I369 HydrophobicContact CG-CB 4.33Å; Y366-I369 HydrophobicContact CG-CD1 4.2Å; Y366-I369 HydrophobicContact CG-CG1 4.46Å; I369-F373 HydrophobicContact CD1-CD1 3.95Å; I369-F373 HydrophobicContact CD1-CE1 4.31Å; I369-F373 HydrophobicContact CG1-CD1 4.04Å; I369-I374 HydrophobicContact CD1-CD1 4.07Å; I369-I374 HydrophobicContact CD1-CG1 3.69Å; I369-I374 HydrophobicContact CG1-CD1 4.21Å; I369-I374 HydrophobicContact CG1-CG1 4.02Å; I369-I374 HydrophobicContact CG2-CD1 3.87Å; I369-L408 CarbonylContact O-C 3.58Å; I369-L408 WeakPolarHBondContact O-CA 3.1Å; I369-L409 HydrophobicContact CG2-CB 3.73Å; I369-L409 HydrophobicContact CG2-CD2 3.89Å; I369-L409 HydrophobicContact CG2-CG 4.24Å; I369-L409 PolarHBondContact N-O 3.14Å; I369-L409 PolarHBondContact O-N 2.97Å
370H94Very high90.5Very high115 Ų11571.4 Ų71.453%0.53234%0.343SS..EExtended strand (participates in β ladder)trans-74132.5178.1-78.4-71.4000110.9F373 I374H370-F373 HydrophobicContact CB-CB 4.09Å; H370-F373 WeakPolarHBondContact O-CB 3.26Å; H370-F373 PolarHBondContact O-N 3.29Å; H370-I374 PolarHBondContact O-N 3.31Å
371I93Very high90.7Very high0 Ų073.1 Ų73.10%035%0.353CS..Hα-helixtrans-60.6-41.3176.2-54.9175.9000111.1F373 I374 S375 V382 V385 L389 I402 Q407I371-F373 PolarHBondContact O-N 3.44Å; I371-I374 WeakPolarHBondContact O-CB 3.29Å; I371-I374 PolarHBondContact O-N 3.31Å; I371-I374 VanDerWaalsContact O-N 3.11Å; I371-S375 PolarHBondContact O-N 2.7Å; I371-V382 HydrophobicContact CG2-CG1 3.84Å; I371-V385 HydrophobicContact CG2-CB 4.14Å; I371-V385 HydrophobicContact CG2-CG1 3.76Å; I371-L389 HydrophobicContact CG1-CD1 4.49Å; I371-I402 HydrophobicContact CD1-CG2 3.89Å; I371-Q407 PolarHBondContact N-O 3.46Å
372P94.3Very high90.9Very high54 Ų5467.9 Ų67.935%0.35133%0.333SS..Hα-helixtrans-61.1-26.4173.7-2735.7000114.6K376 Q407P372-K376 WeakPolarHBondContact O-CG 3.3Å; P372-K376 PolarHBondContact O-N 2.88Å; P372-Q407 HydrophobicContact CG-CB 4.49Å
373F93.4Very high90.9Very high87 Ų8770.4 Ų70.438%0.38235%0.352SS..Hα-helixtrans-71.9-43.6174.9177.1-95.8000110.6L362 I369 H370 I371 S375 K376 E377L362-F373 HydrophobicContact CD1-CE1 4.34Å; I369-F373 HydrophobicContact CD1-CD1 3.95Å; I369-F373 HydrophobicContact CD1-CE1 4.31Å; I369-F373 HydrophobicContact CG1-CD1 4.04Å; H370-F373 HydrophobicContact CB-CB 4.09Å; H370-F373 WeakPolarHBondContact O-CB 3.26Å; H370-F373 PolarHBondContact O-N 3.29Å; I371-F373 PolarHBondContact O-N 3.44Å; F373-S375 VanDerWaalsContact C-N 3.33Å; F373-S375 PolarHBondContact O-N 3.04Å; F373-K376 PolarHBondContact O-N 3.12Å; F373-E377 PolarHBondContact O-N 3.41Å; F373-E377 VanDerWaalsContact O-N 3.1Å
374I92.2Very high91Very high0 Ų074.2 Ų74.20%037%0.373CS..Hα-helixtrans-60.9-42.7174.2-62.4167.2000110.9L359 L362 I369 H370 I371 K376 E377 L378 V385 L409L359-I374 HydrophobicContact CD1-CD1 4.14Å; L359-I374 HydrophobicContact CD1-CG1 4.41Å; L359-I374 HydrophobicContact CD1-CG2 3.59Å; L362-I374 HydrophobicContact CD2-CG1 4.35Å; I369-I374 HydrophobicContact CD1-CD1 4.07Å; I369-I374 HydrophobicContact CD1-CG1 3.69Å; I369-I374 HydrophobicContact CG1-CD1 4.21Å; I369-I374 HydrophobicContact CG1-CG1 4.02Å; I369-I374 HydrophobicContact CG2-CD1 3.87Å; H370-I374 PolarHBondContact O-N 3.31Å; I371-I374 WeakPolarHBondContact O-CB 3.29Å; I371-I374 PolarHBondContact O-N 3.31Å; I371-I374 VanDerWaalsContact O-N 3.11Å; I374-K376 VanDerWaalsContact C-N 3.34Å; I374-K376 PolarHBondContact O-N 3.47Å; I374-E377 PolarHBondContact O-N 2.93Å; I374-L378 HydrophobicContact CG2-CD1 3.54Å; I374-L378 HydrophobicContact CG2-CG 4.02Å; I374-L378 WeakPolarHBondContact O-CB 3.35Å; I374-L378 WeakPolarHBondContact O-CG 3.44Å; I374-L378 PolarHBondContact O-N 3.36Å; I374-V385 HydrophobicContact CB-CG1 4.03Å; I374-V385 HydrophobicContact CG2-CG1 3.54Å; I374-V385 HydrophobicContact CG2-CG2 4.37Å; I374-L409 HydrophobicContact CD1-CD2 4.37Å
375S92.9Very high91.2Very high18 Ų1867.2 Ų67.213%0.12634%0.342CS..Hα-helixtrans-57-44.6176.9162.80000112.5I371 F373 N379 I380I371-S375 PolarHBondContact O-N 2.7Å; F373-S375 VanDerWaalsContact C-N 3.33Å; F373-S375 PolarHBondContact O-N 3.04Å; S375-N379 WeakPolarHBondContact O-CA 3.41Å; S375-N379 PolarHBondContact O-N 3.34Å; S375-I380 WeakPolarHBondContact CB-O 3.25Å; S375-I380 PolarHBondContact O-N 3.32Å; S375-I380 PolarHBondContact OG-O 2.89Å
376K90.1Very high91.2Very high174 Ų17464.2 Ų64.276%0.75732%0.319SS*.Hα-helixtrans-66.1-39.3176.8-72.7179.5-179.1-1770112.7P372 F373 I374P372-K376 WeakPolarHBondContact O-CG 3.3Å; P372-K376 PolarHBondContact O-N 2.88Å; F373-K376 PolarHBondContact O-N 3.12Å; I374-K376 VanDerWaalsContact C-N 3.34Å; I374-K376 PolarHBondContact O-N 3.47Å
377E87.8Confident91.2Very high109 Ų10963.5 Ų63.551%0.50933%0.328SS..Hα-helixtrans-73.5-37.3-178.7-162.168-165.500112.4L362 F373 I374L362-E377 HydrophobicContact CD1-CG 3.98Å; L362-E377 HydrophobicContact CD2-CB 3.86Å; L362-E377 HydrophobicContact CD2-CG 3.81Å; F373-E377 PolarHBondContact O-N 3.41Å; F373-E377 VanDerWaalsContact O-N 3.1Å; I374-E377 PolarHBondContact O-N 2.93Å
378L87.1Confident91.4Very high1 Ų160.1 Ų60.11%0.00531%0.306CS..Hα-helixtrans-86.8-6.8178.3-64.5-178.5000113.6I323 V358 L359 I374 I380 L388I323-L378 HydrophobicContact CD1-CB 4.5Å; I323-L378 HydrophobicContact CD1-CD2 3.46Å; I323-L378 VanDerWaalsContact CD1-CD2 3.46Å; V358-L378 HydrophobicContact CB-CD2 3.96Å; V358-L378 HydrophobicContact CG1-CD2 3.62Å; L359-L378 HydrophobicContact CB-CD1 4.33Å; L359-L378 HydrophobicContact CD1-CD1 4.33Å; I374-L378 HydrophobicContact CG2-CD1 3.54Å; I374-L378 HydrophobicContact CG2-CG 4.02Å; I374-L378 WeakPolarHBondContact O-CB 3.35Å; I374-L378 WeakPolarHBondContact O-CG 3.44Å; I374-L378 PolarHBondContact O-N 3.36Å; L378-I380 VanDerWaalsContact C-N 3.35Å; L378-I380 HydrophobicContact CB-CD1 4.22Å; L378-I380 HydrophobicContact CB-CG1 3.78Å; L378-I380 HydrophobicContact CD1-CD1 4.25Å; L378-I380 PolarHBondContact O-N 2.85Å; L378-L388 HydrophobicContact CD1-CD2 4.47Å
379N86.3Confident91.4Very high100 Ų10053.2 Ų53.254%0.53528%0.28SS..THydrogen-bonded Turntrans55.242.7-177.3-167.545.6000114E327 S375E327-N379 PolarHBondContact OE2-ND2 3.31Å; S375-N379 WeakPolarHBondContact O-CA 3.41Å; S375-N379 PolarHBondContact O-N 3.34Å
380I88.7Confident91.3Very high19 Ų1956.1 Ų56.110%0.09730%0.298CS..SBendtrans-133.1161.717952.9164.8000111.7S375 L378 D384 V385S375-I380 WeakPolarHBondContact CB-O 3.25Å; S375-I380 PolarHBondContact O-N 3.32Å; S375-I380 PolarHBondContact OG-O 2.89Å; L378-I380 VanDerWaalsContact C-N 3.35Å; L378-I380 HydrophobicContact CB-CD1 4.22Å; L378-I380 HydrophobicContact CB-CG1 3.78Å; L378-I380 HydrophobicContact CD1-CD1 4.25Å; L378-I380 PolarHBondContact O-N 2.85Å; I380-D384 HydrophobicContact CD1-CB 4.28Å; I380-V385 HydrophobicContact CD1-CB 4.38Å; I380-V385 HydrophobicContact CD1-CG2 3.52Å; I380-V385 HydrophobicContact CG1-CG2 3.56Å
381D92.6Very high91.2Very high92 Ų9255 Ų5549%0.49229%0.293SS..  trans-63.6150.1178.5-168.7-93.9000111.8C383 D384 V385D381-C383 PolarHBondContact O-N 3.38Å; D381-C383 WeakPolarHBondContact OD1-CB 3.33Å; D381-C383 PolarHBondContact OD1-N 3.44Å; D381-C383 PolarHBondContact OD1-SG 3.06Å; D381-D384 PolarHBondContact O-N 2.95Å; D381-D384 VanDerWaalsContact O-N 3.1Å; D381-V385 WeakPolarHBondContact O-CG2 3.48Å; D381-V385 PolarHBondContact O-N 3.47Å
382V91.8Very high91Very high42 Ų4255.1 Ų55.126%0.25529%0.294SS..Hα-helixtrans-58.5-36.1-179.9-173.80000111.3I371 V385 E386I371-V382 HydrophobicContact CG2-CG1 3.84Å; V382-V385 PolarHBondContact O-N 3.42Å; V382-E386 PolarHBondContact O-N 2.94Å
383C91.3Very high90.9Very high80 Ų8054.7 Ų54.754%0.54129%0.288SS..Hα-helixtrans-66.6-37.4178.2-54.80000112.1D381 E386 S387D381-C383 PolarHBondContact O-N 3.38Å; D381-C383 WeakPolarHBondContact OD1-CB 3.33Å; D381-C383 PolarHBondContact OD1-N 3.44Å; D381-C383 PolarHBondContact OD1-SG 3.06Å; C383-E386 PolarHBondContact O-N 3.27Å; C383-S387 WeakPolarHBondContact O-CB 3.5Å; C383-S387 PolarHBondContact O-N 3.49Å; C383-S387 PolarHBondContact O-OG 3.34Å
384D90.8Very high90.8Very high91 Ų9156.6 Ų56.649%0.48730%0.302SS..Hα-helixtrans-72.1-36.4177.6-67.1-31.6000111.1I380 D381 S387 L388I380-D384 HydrophobicContact CD1-CB 4.28Å; D381-D384 PolarHBondContact O-N 2.95Å; D381-D384 VanDerWaalsContact O-N 3.1Å; D384-S387 PolarHBondContact O-N 2.97Å; D384-L388 VanDerWaalsContact O-CB 3.28Å; D384-L388 WeakPolarHBondContact O-CB 3.36Å; D384-L388 PolarHBondContact O-N 3.48Å
385V92.5Very high90.7Very high0 Ų061.2 Ų61.20%033%0.327CS..Hα-helixtrans-61-46.3171.9178.70000110.6I371 I374 I380 D381 V382 L388 L389I371-V385 HydrophobicContact CG2-CB 4.14Å; I371-V385 HydrophobicContact CG2-CG1 3.76Å; I374-V385 HydrophobicContact CB-CG1 4.03Å; I374-V385 HydrophobicContact CG2-CG1 3.54Å; I374-V385 HydrophobicContact CG2-CG2 4.37Å; I380-V385 HydrophobicContact CD1-CB 4.38Å; I380-V385 HydrophobicContact CD1-CG2 3.52Å; I380-V385 HydrophobicContact CG1-CG2 3.56Å; D381-V385 WeakPolarHBondContact O-CG2 3.48Å; D381-V385 PolarHBondContact O-N 3.47Å; V382-V385 PolarHBondContact O-N 3.42Å; V385-L388 PolarHBondContact O-N 3.41Å; V385-L389 HydrophobicContact CG1-CD1 3.87Å; V385-L389 HydrophobicContact CG1-CG 4.3Å; V385-L389 WeakPolarHBondContact O-CB 3.27Å; V385-L389 VanDerWaalsContact O-CG 3.29Å; V385-L389 WeakPolarHBondContact O-CG 3.34Å; V385-L389 PolarHBondContact O-N 2.9Å
386E91.9Very high90.4Very high39 Ų3965.9 Ų65.918%0.18235%0.35CS..Hα-helixtrans-62.1-45.7179.1-171.3173.8-176.900110.9V382 C383 L388 L389 V390 I402 Q404V382-E386 PolarHBondContact O-N 2.94Å; C383-E386 PolarHBondContact O-N 3.27Å; E386-L388 VanDerWaalsContact C-N 3.33Å; E386-L388 PolarHBondContact O-N 3.43Å; E386-L389 PolarHBondContact O-N 2.93Å; E386-V390 WeakPolarHBondContact O-CG2 3.49Å; E386-V390 PolarHBondContact O-N 3.39Å; E386-I402 HydrophobicContact CG-CG2 4.47Å; E386-Q404 VanDerWaalsContact OE1-CD 3.24Å; E386-Q404 WeakPolarHBondContact OE1-CG 3.5Å; E386-Q404 PolarHBondContact OE1-NE2 3.26Å; E386-Q404 PolarHBondContact OE2-NE2 3.32Å
387S91.8Very high90.2Very high76 Ų7660.9 Ų60.953%0.53133%0.334SS..Hα-helixtrans-59.8-42.9176-59.20000112.2C383 D384 V390 Q391C383-S387 WeakPolarHBondContact O-CB 3.5Å; C383-S387 PolarHBondContact O-N 3.49Å; C383-S387 PolarHBondContact O-OG 3.34Å; D384-S387 PolarHBondContact O-N 2.97Å; S387-V390 PolarHBondContact O-N 2.9Å; S387-Q391 PolarHBondContact O-N 3.25Å; S387-Q391 VanDerWaalsContact O-N 3.07Å
388L91.1Very high90.3Very high15 Ų1555.9 Ų55.98%0.07931%0.311CS..Hα-helixtrans-64.3-42.5176.1-17765.3000111.7R355 L359 L378 D384 V385 E386 Q391 C392R355-L388 HydrophobicContact CB-CD2 3.98Å; L359-L388 HydrophobicContact CD2-CD2 4.11Å; L359-L388 HydrophobicContact CD2-CG 4.35Å; L378-L388 HydrophobicContact CD1-CD2 4.47Å; D384-L388 VanDerWaalsContact O-CB 3.28Å; D384-L388 WeakPolarHBondContact O-CB 3.36Å; D384-L388 PolarHBondContact O-N 3.48Å; V385-L388 PolarHBondContact O-N 3.41Å; E386-L388 VanDerWaalsContact C-N 3.33Å; E386-L388 PolarHBondContact O-N 3.43Å; L388-Q391 PolarHBondContact O-N 3.04Å; L388-C392 WeakPolarHBondContact O-CB 3.46Å; L388-C392 PolarHBondContact O-N 3.16Å; L388-C392 PolarHBondContact O-SG 3.19Å
389L91.6Very high90.3Very high0 Ų060.8 Ų60.80%033%0.333CS..Hα-helixtrans-63.2-42.8176.8-76.7169000111.6L359 I371 V385 E386 C392 I393 I398 I402 L409L359-L389 HydrophobicContact CD1-CD2 4.37Å; L359-L389 HydrophobicContact CD2-CD2 3.81Å; L359-L389 HydrophobicContact CD2-CG 4.39Å; I371-L389 HydrophobicContact CG1-CD1 4.49Å; V385-L389 HydrophobicContact CG1-CD1 3.87Å; V385-L389 HydrophobicContact CG1-CG 4.3Å; V385-L389 WeakPolarHBondContact O-CB 3.27Å; V385-L389 VanDerWaalsContact O-CG 3.29Å; V385-L389 WeakPolarHBondContact O-CG 3.34Å; V385-L389 PolarHBondContact O-N 2.9Å; E386-L389 PolarHBondContact O-N 2.93Å; L389-C392 PolarHBondContact O-N 3.46Å; L389-I393 WeakPolarHBondContact O-CB 3.36Å; L389-I393 WeakPolarHBondContact O-CD1 3.31Å; L389-I393 WeakPolarHBondContact O-CG1 3.38Å; L389-I393 PolarHBondContact O-N 3.27Å; L389-I398 HydrophobicContact CD2-CD1 4.1Å; L389-I402 HydrophobicContact CB-CD1 3.68Å; L389-I402 HydrophobicContact CB-CG1 4.31Å; L389-L409 HydrophobicContact CD1-CD1 4.41Å; L389-L409 HydrophobicContact CD2-CD1 4.08Å; L389-L409 HydrophobicContact CD2-CD2 3.65Å; L389-L409 HydrophobicContact CD2-CG 4.46Å
390V93.2Very high90.4Very high66 Ų6656.3 Ų56.340%0.431%0.311SS..Hα-helixtrans-58.3-50.3175.41700000110.3E386 S387 C392 I393 L394 I402E386-V390 WeakPolarHBondContact O-CG2 3.49Å; E386-V390 PolarHBondContact O-N 3.39Å; S387-V390 PolarHBondContact O-N 2.9Å; V390-C392 PolarHBondContact O-N 3.45Å; V390-I393 PolarHBondContact O-N 3.5Å; V390-L394 HydrophobicContact CG1-CD1 3.96Å; V390-L394 WeakPolarHBondContact O-CG 3.43Å; V390-L394 PolarHBondContact O-N 3.37Å; V390-I402 HydrophobicContact CG2-CD1 3.67Å
391Q90.1Very high90.5Very high92 Ų9263.5 Ų63.543%0.4334%0.337SS..Hα-helixtrans-59-47177.9-174.2-179.9-15.800111.2S387 L388 I393 L394 D395S387-Q391 PolarHBondContact O-N 3.25Å; S387-Q391 VanDerWaalsContact O-N 3.07Å; L388-Q391 PolarHBondContact O-N 3.04Å; Q391-I393 VanDerWaalsContact C-N 3.32Å; Q391-I393 PolarHBondContact O-N 3.11Å; Q391-L394 PolarHBondContact O-N 2.76Å; Q391-D395 WeakPolarHBondContact O-CB 3.46Å; Q391-D395 VanDerWaalsContact O-CG 3.31Å; Q391-D395 PolarHBondContact O-N 3.21Å
392C90.2Very high90.6Very high3 Ų361.2 Ų61.22%0.0233%0.325CS..Hα-helixtrans-64.6-34-178.8-68.80000113.4L388 L389 V390 N396 T397 I398L388-C392 WeakPolarHBondContact O-CB 3.46Å; L388-C392 PolarHBondContact O-N 3.16Å; L388-C392 PolarHBondContact O-SG 3.19Å; L389-C392 PolarHBondContact O-N 3.46Å; V390-C392 PolarHBondContact O-N 3.45Å; C392-N396 PolarHBondContact O-N 3.32Å; C392-T397 WeakPolarHBondContact CA-OG1 3.45Å; C392-T397 VanDerWaalsContact CB-OG1 3.32Å; C392-T397 WeakPolarHBondContact CB-OG1 3.08Å; C392-T397 PolarHBondContact O-N 3.22Å; C392-T397 PolarHBondContact O-OG1 3.41Å; C392-I398 HydrophobicContact CB-CB 4.18Å; C392-I398 HydrophobicContact CB-CD1 3.57Å; C392-I398 HydrophobicContact CB-CG1 3.84Å; C392-I398 PolarHBondContact O-N 3.02Å
393I91.3Very high90.6Very high44 Ų4461.5 Ų61.523%0.22633%0.325CS..Hα-helixtrans-71-42.7175.8-68.5164000110.4L389 V390 Q391 D395 N396 I398 I402 L409L389-I393 WeakPolarHBondContact O-CB 3.36Å; L389-I393 WeakPolarHBondContact O-CD1 3.31Å; L389-I393 WeakPolarHBondContact O-CG1 3.38Å; L389-I393 PolarHBondContact O-N 3.27Å; V390-I393 PolarHBondContact O-N 3.5Å; Q391-I393 VanDerWaalsContact C-N 3.32Å; Q391-I393 PolarHBondContact O-N 3.11Å; I393-D395 VanDerWaalsContact C-N 3.34Å; I393-N396 PolarHBondContact O-N 2.94Å; I393-N396 VanDerWaalsContact O-N 3.08Å; I393-I398 HydrophobicContact CG1-CB 4.35Å; I393-I398 HydrophobicContact CG1-CG2 4.31Å; I393-I402 HydrophobicContact CD1-CD1 3.92Å; I393-I402 HydrophobicContact CD1-CG1 3.73Å; I393-L409 HydrophobicContact CD1-CD1 4.37Å
394L92.3Very high90.6Very high128 Ų12863.5 Ų63.567%0.6733%0.326SS*.Hα-helixtrans-63.3-40.3176.4-70.2173.2000112V390 Q391 N396V390-L394 HydrophobicContact CG1-CD1 3.96Å; V390-L394 WeakPolarHBondContact O-CG 3.43Å; V390-L394 PolarHBondContact O-N 3.37Å; Q391-L394 PolarHBondContact O-N 2.76Å; L394-N396 PolarHBondContact O-N 3.44Å; L394-N396 VanDerWaalsContact O-N 3.16Å; L394-N396 PolarHBondContact O-ND2 2.97Å
395D89.6Confident90.6Very high97 Ų9765.3 Ų65.352%0.51934%0.34SS..THydrogen-bonded Turntrans-730.7175.7-68-17.9000112.9Q391 I393 T397Q391-D395 WeakPolarHBondContact O-CB 3.46Å; Q391-D395 VanDerWaalsContact O-CG 3.31Å; Q391-D395 PolarHBondContact O-N 3.21Å; I393-D395 VanDerWaalsContact C-N 3.34Å; D395-T397 HydrophobicContact CB-CG2 4.07Å; D395-T397 PolarHBondContact O-N 3.44Å; D395-T397 VanDerWaalsContact O-N 3.14Å
396N86.3Confident90.5Very high116 Ų11669.8 Ų69.862%0.6236%0.364SS*.THydrogen-bonded Turntrans56.920.8-176-61.4-75.1000114.4C392 I393 L394 H399C392-N396 PolarHBondContact O-N 3.32Å; I393-N396 PolarHBondContact O-N 2.94Å; I393-N396 VanDerWaalsContact O-N 3.08Å; L394-N396 PolarHBondContact O-N 3.44Å; L394-N396 VanDerWaalsContact O-N 3.16Å; L394-N396 PolarHBondContact O-ND2 2.97Å; N396-H399 PolarHBondContact O-CE1 3.02Å
397T87.1Confident90.5Very high68 Ų6870.6 Ų70.642%0.41737%0.368SS..SBendtrans-79.5-32.2176.561.40000111.5C392 D395C392-T397 WeakPolarHBondContact CA-OG1 3.45Å; C392-T397 VanDerWaalsContact CB-OG1 3.32Å; C392-T397 WeakPolarHBondContact CB-OG1 3.08Å; C392-T397 PolarHBondContact O-N 3.22Å; C392-T397 PolarHBondContact O-OG1 3.41Å; D395-T397 HydrophobicContact CB-CG2 4.07Å; D395-T397 PolarHBondContact O-N 3.44Å; D395-T397 VanDerWaalsContact O-N 3.14Å
398I88.5Confident90.5Very high4 Ų467.7 Ų67.72%0.02135%0.346CS..SBendtrans-115.8131.4174.7-64177.2000109.4L359 I360 I363 L389 C392 I393 L411L359-I398 HydrophobicContact CD2-CD1 3.63Å; L359-I398 HydrophobicContact CG-CD1 3.88Å; I360-I398 HydrophobicContact CG1-CG1 4.19Å; I363-I398 HydrophobicContact CD1-CB 4.35Å; I363-I398 HydrophobicContact CD1-CD1 3.83Å; I363-I398 HydrophobicContact CD1-CG1 3.79Å; I363-I398 HydrophobicContact CD1-CG2 3.73Å; L389-I398 HydrophobicContact CD2-CD1 4.1Å; C392-I398 HydrophobicContact CB-CB 4.18Å; C392-I398 HydrophobicContact CB-CD1 3.57Å; C392-I398 HydrophobicContact CB-CG1 3.84Å; C392-I398 PolarHBondContact O-N 3.02Å; I393-I398 HydrophobicContact CG1-CB 4.35Å; I393-I398 HydrophobicContact CG1-CG2 4.31Å; I398-L411 HydrophobicContact CG2-CD2 4.18Å
399H87.7Confident90.6Very high104 Ų10467 Ų6748%0.48134%0.343SS..  trans-103.2100.2175-60.1-47.5000110.3N396 D412N396-H399 PolarHBondContact O-CE1 3.02Å; H399-D412 PolarHBondContact O-N 3.14Å; H399-D412 VanDerWaalsContact O-N 3.13Å
400G88.9Confident90.6Very high7 Ų771.5 Ų71.57%0.07236%0.364CS..EExtended strand (participates in β ladder)trans-178.3-176.7178.900000112.5E410G400-E410 CarbonylContact C-O 3.45Å; G400-E410 WeakPolarHBondContact CA-O 3.09Å
401R90.8Very high90.3Very high169 Ų16969.4 Ų69.464%0.63835%0.35SS*.EExtended strand (participates in β ladder)trans-129.1143.2-179.8-58.1176.4-166.7-173.6-0.9109.6E410 D412R401-E410 PolarHBondContact N-O 3Å; R401-E410 PolarHBondContact O-N 3.1Å; R401-D412 IonicContact NE-OD1 3.19Å
402I93.5Very high89.8Confident45 Ų4568.5 Ų68.523%0.23135%0.348CS..EExtended strand (participates in β ladder)trans-94.3121.1177.5-55.7171.3000107.8I371 E386 L389 V390 I393 L409I371-I402 HydrophobicContact CD1-CG2 3.89Å; E386-I402 HydrophobicContact CG-CG2 4.47Å; L389-I402 HydrophobicContact CB-CD1 3.68Å; L389-I402 HydrophobicContact CB-CG1 4.31Å; V390-I402 HydrophobicContact CG2-CD1 3.67Å; I393-I402 HydrophobicContact CD1-CD1 3.92Å; I393-I402 HydrophobicContact CD1-CG1 3.73Å; I402-L409 HydrophobicContact CG1-CD1 4.01Å
403D92.7Very high88.9Confident48 Ų4876.4 Ų76.426%0.25738%0.379SS..EExtended strand (participates in β ladder)trans-95.897.8166.5-176.8-16.4000108.4V405 N406 Q407 L408D403-V405 VanDerWaalsContact C-N 3.3Å; D403-V405 PolarHBondContact O-N 2.9Å; D403-V405 PolarHBondContact OD1-N 3.42Å; D403-N406 PolarHBondContact OD1-N 2.89Å; D403-N406 PolarHBondContact OD2-ND2 3.12Å; D403-Q407 WeakPolarHBondContact O-CA 3.46Å; D403-Q407 PolarHBondContact O-N 3.36Å; D403-L408 HydrophobicContact CB-CD1 3.51Å; D403-L408 HydrophobicContact CB-CG 4.19Å; D403-L408 WeakPolarHBondContact CB-O 3.35Å; D403-L408 PolarHBondContact N-O 3.09Å; D403-L408 PolarHBondContact O-N 2.84Å; D403-L408 VanDerWaalsContact O-N 3.08Å
404Q90.1Very high87.5Confident121 Ų12182.4 Ų82.457%0.56541%0.406SS*.THydrogen-bonded Turntrans-70.2-26.7-178.1-163.5176.731.600112.6E386 Q407E386-Q404 VanDerWaalsContact OE1-CD 3.24Å; E386-Q404 WeakPolarHBondContact OE1-CG 3.5Å; E386-Q404 PolarHBondContact OE1-NE2 3.26Å; E386-Q404 PolarHBondContact OE2-NE2 3.32Å; Q404-Q407 PolarHBondContact O-NE2 3.18Å
405V91.4Very high86Confident130 Ų13084.2 Ų84.279%0.78841%0.408SS*.THydrogen-bonded Turntrans-71.5-46.7-178.7179.80000110.2D403D403-V405 VanDerWaalsContact C-N 3.3Å; D403-V405 PolarHBondContact O-N 2.9Å; D403-V405 PolarHBondContact OD1-N 3.42Å
406N89.6Confident85Confident94 Ų9490 Ų9050%0.50342%0.423SS..THydrogen-bonded Turntrans-94.31.4-178.9-61.5-59.8000113.5D403 L408D403-N406 PolarHBondContact OD1-N 2.89Å; D403-N406 PolarHBondContact OD2-ND2 3.12Å; N406-L408 HydrophobicContact CB-CD1 4.09Å; N406-L408 HydrophobicContact CB-CD2 3.44Å; N406-L408 VanDerWaalsContact CB-CD2 3.44Å; N406-L408 HydrophobicContact CB-CG 3.56Å; N406-L408 PolarHBondContact O-N 3.38Å
407Q92Very high84.2Confident56 Ų5686.7 Ų86.726%0.26242%0.416SS..THydrogen-bonded Turntrans54.150.1179.8-68.7-69.9-50.300112.4I371 P372 D403 Q404I371-Q407 PolarHBondContact N-O 3.46Å; P372-Q407 HydrophobicContact CG-CB 4.49Å; D403-Q407 WeakPolarHBondContact O-CA 3.46Å; D403-Q407 PolarHBondContact O-N 3.36Å; Q404-Q407 PolarHBondContact O-NE2 3.18Å
408L93.5Very high83.7Confident14 Ų1485.5 Ų85.57%0.07342%0.418CS..EExtended strand (participates in β ladder)trans-138.1141.7-177.140.992.8000112.3I369 D403 N406I369-L408 CarbonylContact O-C 3.58Å; I369-L408 WeakPolarHBondContact O-CA 3.1Å; D403-L408 HydrophobicContact CB-CD1 3.51Å; D403-L408 HydrophobicContact CB-CG 4.19Å; D403-L408 WeakPolarHBondContact CB-O 3.35Å; D403-L408 PolarHBondContact N-O 3.09Å; D403-L408 PolarHBondContact O-N 2.84Å; D403-L408 VanDerWaalsContact O-N 3.08Å; N406-L408 HydrophobicContact CB-CD1 4.09Å; N406-L408 HydrophobicContact CB-CD2 3.44Å; N406-L408 VanDerWaalsContact CB-CD2 3.44Å; N406-L408 HydrophobicContact CB-CG 3.56Å; N406-L408 PolarHBondContact O-N 3.38Å
409L92.4Very high83.5Confident0 Ų089.2 Ų89.20%045%0.449CS..EExtended strand (participates in β ladder)trans-97.2120.1173.417874.2000108I363 R368 I369 I374 L389 I393 I402 L411I363-L409 HydrophobicContact CG2-CD2 4.06Å; R368-L409 WeakPolarHBondContact CA-O 3.1Å; I369-L409 HydrophobicContact CG2-CB 3.73Å; I369-L409 HydrophobicContact CG2-CD2 3.89Å; I369-L409 HydrophobicContact CG2-CG 4.24Å; I369-L409 PolarHBondContact N-O 3.14Å; I369-L409 PolarHBondContact O-N 2.97Å; I374-L409 HydrophobicContact CD1-CD2 4.37Å; L389-L409 HydrophobicContact CD1-CD1 4.41Å; L389-L409 HydrophobicContact CD2-CD1 4.08Å; L389-L409 HydrophobicContact CD2-CD2 3.65Å; L389-L409 HydrophobicContact CD2-CG 4.46Å; I393-L409 HydrophobicContact CD1-CD1 4.37Å; I402-L409 HydrophobicContact CG1-CD1 4.01Å; L409-L411 HydrophobicContact CD2-CD2 4.02Å; L409-L411 HydrophobicContact CG-CD2 4.23Å
410E91.5Very high83.5Confident95 Ų9592.1 Ų92.144%0.44446%0.456SS..EExtended strand (participates in β ladder)trans-101.6118176.8-171165.8-144.200109.2R368 G400 R401R368-E410 HydrophobicContact CG-CG 4.24Å; G400-E410 CarbonylContact C-O 3.45Å; G400-E410 WeakPolarHBondContact CA-O 3.09Å; R401-E410 PolarHBondContact N-O 3Å; R401-E410 PolarHBondContact O-N 3.1Å
411L87.9Confident83.6Confident23 Ų2398 Ų9812%0.1248%0.477CS..EExtended strand (participates in β ladder)trans-87.7136.8-178.6-64.5177.3000110.8I363 Y366 T367 I398 L409 Y413I363-L411 HydrophobicContact CB-CD1 3.95Å; I363-L411 HydrophobicContact CD1-CD2 4.18Å; I363-L411 HydrophobicContact CG1-CD1 4.37Å; I363-L411 VanDerWaalsContact O-CD1 3.27Å; I363-L411 WeakPolarHBondContact O-CD1 3.34Å; Y366-L411 WeakPolarHBondContact O-CD1 3.14Å; T367-L411 PolarHBondContact O-N 3.25Å; I398-L411 HydrophobicContact CG2-CD2 4.18Å; L409-L411 HydrophobicContact CD2-CD2 4.02Å; L409-L411 HydrophobicContact CG-CD2 4.23Å; L411-Y413 VanDerWaalsContact C-N 3.27Å; L411-Y413 PolarHBondContact O-N 2.98Å
412D79.1Confident83.6Confident73 Ų7393.9 Ų93.939%0.3947%0.47SS..  trans-76.973.8-177.5-82.6-30.1000111.1H399 R401H399-D412 PolarHBondContact O-N 3.14Å; H399-D412 VanDerWaalsContact O-N 3.13Å; R401-D412 IonicContact NE-OD1 3.19Å
413Y70.7Confident83.6Confident169 Ų16994.6 Ų94.666%0.66348%0.483SS*.  trans-77.7-26.9174.6-117.4-86.9000112.6T367 L411 K415T367-Y413 HydrophobicContact CG2-CD2 4.07Å; T367-Y413 HydrophobicContact CG2-CG 4.42Å; L411-Y413 VanDerWaalsContact C-N 3.27Å; L411-Y413 PolarHBondContact O-N 2.98Å; Y413-K415 PolarHBondContact O-N 3.4Å
414Q62.1Low83.7Confident169 Ų16996.1 Ų96.179%0.7949%0.491SS*.  trans-92.574-179.6-67.8-166.7-5.600111.8R416Q414-R416 VanDerWaalsContact C-N 3.31Å; Q414-R416 PolarHBondContact O-N 2.84Å
415K60.5Low83.9Confident166 Ų16695 Ų9572%0.72249%0.489SS*.  trans-70.288.8165.1-82.3-176.4178.1175.40109.7Y413 G417Y413-K415 PolarHBondContact O-N 3.4Å; K415-G417 PolarHBondContact O-N 3.16Å
416R69.2Low84.1Confident218 Ų21896.2 Ų96.282%0.82348%0.483SS*.  trans-55.6127.8153.9-67.7-176.2-176.9-177.11.3106.3Q414 G418Q414-R416 VanDerWaalsContact C-N 3.31Å; Q414-R416 PolarHBondContact O-N 2.84Å; R416-G418 VanDerWaalsContact C-N 3.3Å; R416-G418 PolarHBondContact O-N 3.42Å
417G68.5Low84.4Confident47 Ų4799.6 Ų99.649%0.48549%0.489SS..  trans-60.981.6-167.900000114.2K415 A419 R420 Y421K415-G417 PolarHBondContact O-N 3.16Å; G417-A419 VanDerWaalsContact C-N 3.26Å; G417-A419 PolarHBondContact O-N 3.06Å; G417-R420 PolarHBondContact O-N 2.94Å; G417-Y421 WeakPolarHBondContact O-CD2 3.43Å
418G77.6Confident84.7Confident44 Ų44100.9 Ų100.945%0.45450%0.501SS..Hα-helixtrans-62.3-31.7-175.400000113.3R416 R420 Y421 T422R416-G418 VanDerWaalsContact C-N 3.3Å; R416-G418 PolarHBondContact O-N 3.42Å; G418-R420 VanDerWaalsContact C-N 3.3Å; G418-R420 PolarHBondContact O-N 3.42Å; G418-Y421 PolarHBondContact O-N 3.15Å; G418-T422 PolarHBondContact O-N 3.08Å; G418-T422 PolarHBondContact O-OG1 3.02Å
419A83Confident84.8Confident81 Ų81104.5 Ų104.567%0.66952%0.52SS*.Hα-helixtrans-58.8-38.3-179.400000113.2G417 T422 A423G417-A419 VanDerWaalsContact C-N 3.26Å; G417-A419 PolarHBondContact O-N 3.06Å; A419-T422 WeakPolarHBondContact CA-OG1 3.36Å; A419-T422 PolarHBondContact O-OG1 2.92Å; A419-A423 WeakPolarHBondContact O-CB 3.4Å; A419-A423 PolarHBondContact O-N 3.26Å; A419-A423 VanDerWaalsContact O-N 3.12Å
420R88.9Confident85Confident165 Ų165110.9 Ų110.962%0.62355%0.55SS**Hα-helixtrans-69.7-41.8178.9-173.4176.867.4-1721.8111.4G417 G418 A423 L424G417-R420 PolarHBondContact O-N 2.94Å; G418-R420 VanDerWaalsContact C-N 3.3Å; G418-R420 PolarHBondContact O-N 3.42Å; R420-A423 PolarHBondContact O-N 2.82Å; R420-L424 HydrophobicContact CG-CD1 4.38Å; R420-L424 WeakPolarHBondContact O-CG 3.42Å; R420-L424 PolarHBondContact O-N 3.19Å; R420-L424 VanDerWaalsContact O-N 3.1Å
421Y90.5Very high85.2Confident132 Ų132110.6 Ų110.652%0.51855%0.551SS.*Hα-helixtrans-68.9-40.9179.6-60.1-68.8000111.4G417 G418 A423 L424 D425G417-Y421 WeakPolarHBondContact O-CD2 3.43Å; G418-Y421 PolarHBondContact O-N 3.15Å; Y421-A423 VanDerWaalsContact C-N 3.32Å; Y421-A423 PolarHBondContact O-N 3.01Å; Y421-L424 PolarHBondContact O-N 2.97Å; Y421-D425 WeakPolarHBondContact O-CB 3.43Å; Y421-D425 PolarHBondContact O-N 3.42Å
422T91.6Very high85.6Confident81 Ų81113.6 Ų113.650%0.49757%0.567SS.*Hα-helixtrans-63.7-36174.7210000112.7G418 A419 K426G418-T422 PolarHBondContact O-N 3.08Å; G418-T422 PolarHBondContact O-OG1 3.02Å; A419-T422 WeakPolarHBondContact CA-OG1 3.36Å; A419-T422 PolarHBondContact O-OG1 2.92Å; T422-K426 WeakPolarHBondContact O-CB 3.15Å; T422-K426 WeakPolarHBondContact O-CG 3.49Å; T422-K426 PolarHBondContact O-N 3.03Å
423A92.7Very high86.4Confident60 Ų60112.7 Ų112.750%0.49657%0.567SS.*Hα-helixtrans-65.6-45.3174.800000112.2A419 R420 Y421 D425 K426 W427A419-A423 WeakPolarHBondContact O-CB 3.4Å; A419-A423 PolarHBondContact O-N 3.26Å; A419-A423 VanDerWaalsContact O-N 3.12Å; R420-A423 PolarHBondContact O-N 2.82Å; Y421-A423 VanDerWaalsContact C-N 3.32Å; Y421-A423 PolarHBondContact O-N 3.01Å; A423-D425 VanDerWaalsContact C-N 3.33Å; A423-D425 PolarHBondContact O-N 3.14Å; A423-K426 PolarHBondContact O-N 3.02Å; A423-W427 WeakPolarHBondContact O-CB 3.38Å; A423-W427 PolarHBondContact O-N 3.2Å
424L94.8Very high87.5Confident81 Ų81109.3 Ų109.342%0.42456%0.56SS.*Hα-helixtrans-62.4-40.5176.2-73.8168.4000111.9R420 Y421 W427 T428R420-L424 HydrophobicContact CG-CD1 4.38Å; R420-L424 WeakPolarHBondContact O-CG 3.42Å; R420-L424 PolarHBondContact O-N 3.19Å; R420-L424 VanDerWaalsContact O-N 3.1Å; Y421-L424 PolarHBondContact O-N 2.97Å; L424-W427 HydrophobicContact CD2-CE3 4.33Å; L424-W427 PolarHBondContact O-N 3.08Å; L424-T428 WeakPolarHBondContact O-CB 3.49Å; L424-T428 PolarHBondContact O-N 3.33Å; L424-T428 PolarHBondContact O-OG1 2.93Å
425D94.6Very high89.1Confident98 Ų98105.6 Ų105.652%0.52455%0.545SS..Hα-helixtrans-67.9-42.6-179.7-154.529000111.4Y421 A423 W427 T428 N429Y421-D425 WeakPolarHBondContact O-CB 3.43Å; Y421-D425 PolarHBondContact O-N 3.42Å; A423-D425 VanDerWaalsContact C-N 3.33Å; A423-D425 PolarHBondContact O-N 3.14Å; D425-W427 VanDerWaalsContact C-N 3.34Å; D425-W427 PolarHBondContact O-N 2.86Å; D425-T428 PolarHBondContact O-N 2.96Å; D425-N429 WeakPolarHBondContact O-CB 3.02Å; D425-N429 PolarHBondContact O-N 3.5Å; D425-N429 PolarHBondContact O-ND2 3.27Å; D425-N429 VanDerWaalsContact O-ND2 3.13Å
426K95.6Very high90.7Very high155 Ų155103.8 Ų103.867%0.67454%0.539SS*.Hα-helixtrans-58-45.7171-79.7-175.6179.1-1760111.9T422 A423 N429 Q430T422-K426 WeakPolarHBondContact O-CB 3.15Å; T422-K426 WeakPolarHBondContact O-CG 3.49Å; T422-K426 PolarHBondContact O-N 3.03Å; A423-K426 PolarHBondContact O-N 3.02Å; K426-N429 PolarHBondContact O-N 3.12Å; K426-Q430 WeakPolarHBondContact O-CG 3.35Å; K426-Q430 PolarHBondContact O-N 3.3Å; K426-Q430 VanDerWaalsContact O-N 3.09Å
427W96.3Very high91.9Very high165 Ų16595.8 Ų95.863%0.62552%0.52SS*.Hα-helixtrans-64.4-43.4179.7-173.721.9000111.7A423 L424 D425 N429 Q430 L431A423-W427 WeakPolarHBondContact O-CB 3.38Å; A423-W427 PolarHBondContact O-N 3.2Å; L424-W427 HydrophobicContact CD2-CE3 4.33Å; L424-W427 PolarHBondContact O-N 3.08Å; D425-W427 VanDerWaalsContact C-N 3.34Å; D425-W427 PolarHBondContact O-N 2.86Å; W427-N429 VanDerWaalsContact C-N 3.35Å; W427-N429 PolarHBondContact O-N 3.34Å; W427-Q430 PolarHBondContact O-N 2.7Å; W427-L431 HydrophobicContact CD2-CD1 4.36Å; W427-L431 HydrophobicContact CG-CD1 4.36Å; W427-L431 HydrophobicContact CZ2-CD1 4.4Å; W427-L431 WeakPolarHBondContact O-CG 3.37Å; W427-L431 PolarHBondContact O-N 2.89Å
428T97.1Very high93.1Very high82 Ų8298.4 Ų98.450%0.50352%0.522SS..Hα-helixtrans-60.8-44.3178.2-54.70000111.2L424 D425 Q430 L431 N432L424-T428 WeakPolarHBondContact O-CB 3.49Å; L424-T428 PolarHBondContact O-N 3.33Å; L424-T428 PolarHBondContact O-OG1 2.93Å; D425-T428 PolarHBondContact O-N 2.96Å; T428-Q430 PolarHBondContact O-N 3Å; T428-L431 PolarHBondContact O-N 3.23Å; T428-N432 WeakPolarHBondContact O-CB 3.37Å; T428-N432 PolarHBondContact O-N 3.39Å
429N96.3Very high93.8Very high91 Ų91100.1 Ų100.149%0.48752%0.523SS..Hα-helixtrans-63.6-40.1177.4-74.6-36000112.6D425 K426 W427 N432 S433D425-N429 WeakPolarHBondContact O-CB 3.02Å; D425-N429 PolarHBondContact O-N 3.5Å; D425-N429 PolarHBondContact O-ND2 3.27Å; D425-N429 VanDerWaalsContact O-ND2 3.13Å; K426-N429 PolarHBondContact O-N 3.12Å; W427-N429 VanDerWaalsContact C-N 3.35Å; W427-N429 PolarHBondContact O-N 3.34Å; N429-N432 PolarHBondContact O-N 2.97Å; N429-S433 PolarHBondContact O-N 3.49Å; N429-S433 PolarHBondContact O-OG 3.19Å
430Q96.3Very high94.3Very high134 Ų13499.9 Ų99.963%0.62652%0.516SS*.Hα-helixtrans-69.4-36.2176.5-69-64.5-24.300112.8K426 W427 T428 N432 S433 L434K426-Q430 WeakPolarHBondContact O-CG 3.35Å; K426-Q430 PolarHBondContact O-N 3.3Å; K426-Q430 VanDerWaalsContact O-N 3.09Å; W427-Q430 PolarHBondContact O-N 2.7Å; T428-Q430 PolarHBondContact O-N 3Å; Q430-N432 VanDerWaalsContact C-N 3.33Å; Q430-S433 PolarHBondContact O-OG 3.45Å; Q430-L434 VanDerWaalsContact O-CB 3.3Å; Q430-L434 WeakPolarHBondContact O-CB 3.33Å; Q430-L434 PolarHBondContact O-N 3.17Å
431L96.3Very high94.2Very high89 Ų89101 Ų10147%0.46653%0.526SS..Hα-helixtrans-66.9-37.2173.6-75.2173.7000111.7W427 T428 L434 N435W427-L431 HydrophobicContact CD2-CD1 4.36Å; W427-L431 HydrophobicContact CG-CD1 4.36Å; W427-L431 HydrophobicContact CZ2-CD1 4.4Å; W427-L431 WeakPolarHBondContact O-CG 3.37Å; W427-L431 PolarHBondContact O-N 2.89Å; T428-L431 PolarHBondContact O-N 3.23Å; L431-L434 PolarHBondContact O-N 3.44Å; L431-N435 WeakPolarHBondContact O-CB 3.37Å; L431-N435 PolarHBondContact O-N 3.21Å
432N96.4Very high93.5Very high85 Ų85102.4 Ų102.446%0.45554%0.542SS..Hα-helixtrans-67.2-44.5178.4-163.114.1000111.8T428 N429 Q430 N435 Q436T428-N432 WeakPolarHBondContact O-CB 3.37Å; T428-N432 PolarHBondContact O-N 3.39Å; N429-N432 PolarHBondContact O-N 2.97Å; Q430-N432 VanDerWaalsContact C-N 3.33Å; N432-N435 PolarHBondContact O-N 2.86Å; N432-Q436 WeakPolarHBondContact O-CG 3.19Å; N432-Q436 PolarHBondContact O-N 3.46Å
433S95.1Very high91.7Very high55 Ų55106.2 Ų106.239%0.38557%0.565SS.*Hα-helixtrans-64.1-40.117561.40000112.2N429 Q430 Q436 A437N429-S433 PolarHBondContact O-N 3.49Å; N429-S433 PolarHBondContact O-OG 3.19Å; Q430-S433 PolarHBondContact O-OG 3.45Å; S433-Q436 PolarHBondContact O-N 2.94Å; S433-A437 WeakPolarHBondContact O-CB 3.47Å; S433-A437 PolarHBondContact O-N 3.09Å
434L95Very high91.7Very high97 Ų97108.6 Ų108.651%0.50857%0.569SS.*Hα-helixtrans-61.3-44.7174.9-177.766.7000111.6Q430 L431 A437 I438Q430-L434 VanDerWaalsContact O-CB 3.3Å; Q430-L434 WeakPolarHBondContact O-CB 3.33Å; Q430-L434 PolarHBondContact O-N 3.17Å; L431-L434 PolarHBondContact O-N 3.44Å; L434-A437 PolarHBondContact O-N 3.07Å; L434-I438 HydrophobicContact CD1-CD1 4.37Å; L434-I438 HydrophobicContact CG-CD1 4.02Å; L434-I438 WeakPolarHBondContact O-CG1 3.23Å; L434-I438 PolarHBondContact O-N 3.36Å
435N95Very high91.5Very high92 Ų92110 Ų11049%0.49258%0.576SS.*Hα-helixtrans-60.7-46.5177.4-175.130.2000111.6L431 N432 A437 I438 V439L431-N435 WeakPolarHBondContact O-CB 3.37Å; L431-N435 PolarHBondContact O-N 3.21Å; N432-N435 PolarHBondContact O-N 2.86Å; N435-A437 VanDerWaalsContact C-N 3.31Å; N435-A437 PolarHBondContact O-N 2.71Å; N435-I438 PolarHBondContact O-N 3.04Å; N435-V439 WeakPolarHBondContact O-CG2 3.3Å; N435-V439 PolarHBondContact O-N 3Å
436Q94.3Very high91.4Very high128 Ų128110.7 Ų110.760%0.59858%0.579SS**Hα-helixtrans-58.8-42.2175.3-72.3178.3-5.500112.2N432 S433 I438 V439 S440N432-Q436 WeakPolarHBondContact O-CG 3.19Å; N432-Q436 PolarHBondContact O-N 3.46Å; S433-Q436 PolarHBondContact O-N 2.94Å; Q436-I438 PolarHBondContact O-N 3.05Å; Q436-V439 PolarHBondContact O-N 3.19Å; Q436-S440 WeakPolarHBondContact O-CB 3.31Å; Q436-S440 PolarHBondContact O-N 2.87Å; Q436-S440 PolarHBondContact O-OG 2.9Å
437A93.4Very high91.1Very high50 Ų50108.1 Ų108.141%0.41357%0.573SS.*Hα-helixtrans-64-39.7177.300000112.4S433 L434 N435 S440 K441S433-A437 WeakPolarHBondContact O-CB 3.47Å; S433-A437 PolarHBondContact O-N 3.09Å; L434-A437 PolarHBondContact O-N 3.07Å; N435-A437 VanDerWaalsContact C-N 3.31Å; N435-A437 PolarHBondContact O-N 2.71Å; A437-S440 PolarHBondContact O-N 3.25Å; A437-S440 PolarHBondContact O-OG 3.1Å; A437-K441 PolarHBondContact O-N 3.02Å
438I93.4Very high90.8Very high101 Ų101104.5 Ų104.552%0.51857%0.57SS.*Hα-helixtrans-66.1-46.4176.9-68.2166.7000110.8L434 N435 Q436 S440 K441 L442L434-I438 HydrophobicContact CD1-CD1 4.37Å; L434-I438 HydrophobicContact CG-CD1 4.02Å; L434-I438 WeakPolarHBondContact O-CG1 3.23Å; L434-I438 PolarHBondContact O-N 3.36Å; N435-I438 PolarHBondContact O-N 3.04Å; Q436-I438 PolarHBondContact O-N 3.05Å; I438-S440 VanDerWaalsContact C-N 3.29Å; I438-S440 PolarHBondContact O-N 2.86Å; I438-K441 PolarHBondContact O-N 2.92Å; I438-K441 VanDerWaalsContact O-N 3.12Å; I438-L442 PolarHBondContact O-N 3.3Å
439V94.2Very high90.4Very high81 Ų81106 Ų10649%0.49158%0.575SS.*Hα-helixtrans-60.8-40.1178.5173.90000111.2N435 Q436 K441 L442 T443N435-V439 WeakPolarHBondContact O-CG2 3.3Å; N435-V439 PolarHBondContact O-N 3Å; Q436-V439 PolarHBondContact O-N 3.19Å; V439-K441 PolarHBondContact O-N 2.97Å; V439-K441 VanDerWaalsContact O-N 3.16Å; V439-L442 PolarHBondContact O-N 2.93Å; V439-L442 VanDerWaalsContact O-N 3.08Å; V439-T443 PolarHBondContact O-N 2.91Å; V439-T443 PolarHBondContact O-OG1 2.91Å
440S91.8Very high89.9Confident75 Ų75107.1 Ų107.152%0.52458%0.581SS.*Hα-helixtrans-65.5-14.4177.9740000115.1Q436 A437 I438Q436-S440 WeakPolarHBondContact O-CB 3.31Å; Q436-S440 PolarHBondContact O-N 2.87Å; Q436-S440 PolarHBondContact O-OG 2.9Å; A437-S440 PolarHBondContact O-N 3.25Å; A437-S440 PolarHBondContact O-OG 3.1Å; I438-S440 VanDerWaalsContact C-N 3.29Å; I438-S440 PolarHBondContact O-N 2.86Å
441K87.8Confident89.4Confident189 Ų189105 Ų10582%0.82258%0.577SS**Hα-helixtrans-94.8-15.1174.2-71.9-157.7176.1-168.40113.7A437 I438 V439A437-K441 PolarHBondContact O-N 3.02Å; I438-K441 PolarHBondContact O-N 2.92Å; I438-K441 VanDerWaalsContact O-N 3.12Å; V439-K441 PolarHBondContact O-N 2.97Å; V439-K441 VanDerWaalsContact O-N 3.16Å
442L75.4Confident88.9Confident162 Ų162106.3 Ų106.385%0.84859%0.587SS**Hα-helixtrans-94.5-16.9180-147.686000112.3I438 V439I438-L442 PolarHBondContact O-N 3.3Å; V439-L442 PolarHBondContact O-N 2.93Å; V439-L442 VanDerWaalsContact O-N 3.08Å
443T54.8Low88.2Confident161 Ų161108.3 Ų108.399%0.98860%0.599SS**  trans-98.20165.431.60000108.7V439V439-T443 PolarHBondContact O-N 2.91Å; V439-T443 PolarHBondContact O-OG1 2.91Å

Retrieved 443 of 443 residues in 134.6 ms (Link to these results)