A0A096NNN4_PAPAN Loading...

Potassium voltage-gated channel modifier subfamily G member 1

AlphaFold DB (A0A2K6BD18), UniProt , Accession A0A096NNN4, Species PAPAN (Papio anubis, Olive baboon), Gene KCNG1, Length 513 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
1M34.2Very low29.9Very low244 Ų244147.9 Ų147.9100%1.20282%0.82SS**  0120.60-152.6156.3-175.800106.4
2T25.7Very low30.1Very low133 Ų133146.3 Ų146.382%0.81681%0.809SS**  trans-54.9133.9-167.932.50000114
3L28.6Very low30.6Very low174 Ų174145.5 Ų145.591%0.91179%0.788SS**  trans-70.2122.2166.5-68.9165.7000109
4L27.3Very low31.3Very low162 Ų162140.1 Ų140.185%0.84877%0.766SS**  trans-107.4130.7163.3-78.6169.3000108.2
5P33.6Very low31.7Very low128 Ų128135.9 Ų135.983%0.83176%0.757SS**  trans-83.7126169.533-26.8000108.3
6G27.5Very low32Very low71 Ų71135.1 Ų135.173%0.73275%0.751SS**  trans-155117.1-179.100000111.8
7D26.2Very low32.2Very low159 Ų159132.6 Ų132.685%0.8574%0.744SS**  trans65.4107.2162.9-68.7-17.5000120.4S9D7-S9 VanDerWaalsContact C-N 3.28Å; D7-S9 PolarHBondContact O-N 3.41Å
8N30.8Very low32.7Very low159 Ų159131.7 Ų131.785%0.8575%0.746SS**  trans-51.892.6145.3-91-4.9000109.1D10N8-D10 PolarHBondContact O-N 2.93Å
9S30.2Very low32.9Very low66 Ų66131.5 Ų131.546%0.46275%0.749SS.*  trans-78.6100.9157.756.60000107.9D7 Y11D7-S9 VanDerWaalsContact C-N 3.28Å; D7-S9 PolarHBondContact O-N 3.41Å; S9-Y11 VanDerWaalsContact C-N 3.27Å; S9-Y11 WeakPolarHBondContact O-CD2 3.44Å; S9-Y11 PolarHBondContact O-N 3.27Å; S9-Y11 WeakPolarHBondContact OG-CE2 3.32Å
10D30.2Very low33.4Very low153 Ų153130.1 Ų130.182%0.81875%0.747SS**  trans-58.395.4159.7-79.4-33.4000107.8N8 D12N8-D10 PolarHBondContact O-N 2.93Å; D10-D12 PolarHBondContact O-N 3.04Å
11Y34.4Very low33.3Very low178 Ų178130.4 Ų130.470%0.69875%0.747SS**  trans-7197.5172.1-75.3-74.1000108.2S9 Y13S9-Y11 VanDerWaalsContact C-N 3.27Å; S9-Y11 WeakPolarHBondContact O-CD2 3.44Å; S9-Y11 PolarHBondContact O-N 3.27Å; S9-Y11 WeakPolarHBondContact OG-CE2 3.32Å; Y11-Y13 VanDerWaalsContact O-CD2 3.27Å; Y11-Y13 WeakPolarHBondContact O-CD2 3.29Å; Y11-Y13 PolarHBondContact O-N 3.29Å
12D32.7Very low33.2Very low129 Ų129123.7 Ų123.769%0.6973%0.73SS**  trans-71.688.4177.8-153.8-8.6000109.7D10 S14D10-D12 PolarHBondContact O-N 3.04Å; D12-S14 VanDerWaalsContact CG-OG 3.3Å; D12-S14 PolarHBondContact O-N 3.17Å; D12-S14 VanDerWaalsContact O-N 3.13Å; D12-S14 WeakPolarHBondContact OD1-CB 3.5Å; D12-S14 PolarHBondContact OD1-OG 3.46Å
13Y36.3Very low33.7Very low136 Ų136120.9 Ų120.953%0.53372%0.716SS.*G310 helixtrans-70.93.3178.8-82.6-82.9000113.9Y11 A15 L468Y11-Y13 VanDerWaalsContact O-CD2 3.27Å; Y11-Y13 WeakPolarHBondContact O-CD2 3.29Å; Y11-Y13 PolarHBondContact O-N 3.29Å; Y13-A15 PolarHBondContact O-N 3.07Å; Y13-A15 VanDerWaalsContact O-N 3.14Å; Y13-L468 HydrophobicContact CD2-CD1 4.35Å; Y13-L468 HydrophobicContact CE2-CD1 4.1Å
14S40.5Very low33.8Very low69 Ų69121.8 Ų121.848%0.48371%0.712SS.*G310 helixtrans-68.8-8.4-177.960.10000114.4D12D12-S14 VanDerWaalsContact CG-OG 3.3Å; D12-S14 PolarHBondContact O-N 3.17Å; D12-S14 VanDerWaalsContact O-N 3.13Å; D12-S14 WeakPolarHBondContact OD1-CB 3.5Å; D12-S14 PolarHBondContact OD1-OG 3.46Å
15A37.3Very low34Very low77 Ų77121.6 Ų121.664%0.63671%0.707SS**G310 helixtrans-93-4.1-176.800000116Y13Y13-A15 PolarHBondContact O-N 3.07Å; Y13-A15 VanDerWaalsContact O-N 3.14Å
16L36Very low34Very low124 Ų124121 Ų12165%0.64970%0.703SS**  trans-104.79.6-174.1-78.3160.4000115.1C18L16-C18 PolarHBondContact O-N 3.13Å
17S36.3Very low34.2Very low92 Ų92122 Ų12264%0.64370%0.704SS**  trans-76.662.7171.6174.70000111.7
18C41.4Very low34.5Very low116 Ų116123 Ų12378%0.78470%0.701SS**  trans-134.664.8173.9-71.50000110.1L16L16-C18 PolarHBondContact O-N 3.13Å
19T36.1Very low34.8Very low128 Ų128122.8 Ų122.879%0.78570%0.699SS**SBendtrans-137.3100.5160.655.30000110.9
20S42.2Very low35Very low104 Ų104125.2 Ų125.273%0.72771%0.714SS**  trans55.781141.856.80000119.6
21D31.1Very low35.6Very low137 Ų137124.8 Ų124.873%0.73371%0.707SS**  trans-112.874138.6-91.8-29.6000108.5
22A33Very low36.1Very low103 Ų103127.1 Ų127.185%0.85171%0.714SS**  trans-102.256167.400000108.8
23S36.9Very low36.3Very low73 Ų73129.7 Ų129.751%0.5172%0.722SS.*  trans-143.1134.3165.346.10000107.6
24F29.8Very low36.7Very low193 Ų193125.7 Ų125.785%0.84672%0.717SS**  trans84.580.9-169.8-49.2-71.5000114.4P26F24-P26 VanDerWaalsContact O-CD 3.27Å; F24-P26 WeakPolarHBondContact O-CD 3.47Å
25H31.2Very low36.8Very low159 Ų159128.2 Ų128.274%0.73672%0.724SS**  trans-75.7117.1151.7-88.5-78.6000109.2F28H25-F28 AromaticContact CE1-CE2 3.47Å; H25-F28 VanDerWaalsContact CE1-CE2 3.47Å; H25-F28 WeakPolarHBondContact CE1-CE2 3.41Å; H25-F28 AromaticContact ND1-CE2 3.87Å
26P34.4Very low36.8Very low116 Ų116134.5 Ų134.575%0.75374%0.737SS**  trans-87.1134.9141.213.14.7000108.3F24F24-P26 VanDerWaalsContact O-CD 3.27Å; F24-P26 WeakPolarHBondContact O-CD 3.47Å
27A32.4Very low37.4Very low90 Ų90131 Ų13174%0.74473%0.731SS**  trans-8.3124.2176.600000117.5L29A27-L29 PolarHBondContact O-N 3.36Å
28F31.6Very low37.8Very low180 Ų180129 Ų12979%0.78972%0.72SS**  trans-5199.9161.1-87.5-95.5000109.7H25H25-F28 AromaticContact CE1-CE2 3.47Å; H25-F28 VanDerWaalsContact CE1-CE2 3.47Å; H25-F28 WeakPolarHBondContact CE1-CE2 3.41Å; H25-F28 AromaticContact ND1-CE2 3.87Å
29L36.7Very low38Very low155 Ų155126.4 Ų126.481%0.81270%0.696SS**  trans-63.6130.8158.4-77.4168.9000107A27 Q31A27-L29 PolarHBondContact O-N 3.36Å; L29-Q31 PolarHBondContact O-N 3Å
30P34.6Very low38.4Very low118 Ų118130.3 Ų130.377%0.76670%0.698SS**  trans-60.7108.9-178.421.2-29.1000109.2R32P30-R32 PolarHBondContact O-N 3.27Å
31Q43Very low38.8Very low143 Ų143136 Ų13667%0.66870%0.703SS**  trans-63.5110177.5-167.4166.923.700107.9L29 Q33L29-Q31 PolarHBondContact O-N 3Å; Q31-Q33 PolarHBondContact O-N 3.04Å
32R44Very low40.1Very low227 Ų227133 Ų13386%0.85768%0.681SS**  trans-52.6112.4174.2-86.8-178.4172.6178.6-1.8108.5P30 A34 K135P30-R32 PolarHBondContact O-N 3.27Å; R32-A34 PolarHBondContact O-N 3.07Å; R32-K135 PolarHBondContact O-NZ 2.94Å
33Q38.8Very low41.6Very low184 Ų184128.5 Ų128.586%0.8665%0.645SS**  trans-60.9122.7173.5-81.5-178.6-8.700107.8Q31 I35Q31-Q33 PolarHBondContact O-N 3.04Å; Q33-I35 PolarHBondContact O-N 3.46Å
34A43.8Very low43.3Very low52 Ų52130.3 Ų130.343%0.4365%0.645SS.*  trans-71.4116.4175.800000108R32 K36R32-A34 PolarHBondContact O-N 3.07Å; A34-K36 PolarHBondContact O-N 3.08Å; A34-K36 VanDerWaalsContact O-N 3.11Å
35I42.7Very low45.7Very low122 Ų122128.2 Ų128.263%0.62663%0.631SS**  trans-65.5111.5173.8-59172.9000107.5Q33 G37 A38Q33-I35 PolarHBondContact O-N 3.46Å; I35-G37 PolarHBondContact O-N 2.68Å; I35-A38 HydrophobicContact CB-CB 4.32Å; I35-A38 HydrophobicContact CG2-CB 4.15Å
36K36.7Very low48Very low208 Ų208122.3 Ų122.390%0.90461%0.605SS**THydrogen-bonded Turntrans-59.9126.4175.3-77.6-176.1176.9179.50109.1A34A34-K36 PolarHBondContact O-N 3.08Å; A34-K36 VanDerWaalsContact O-N 3.11Å
37G48Very low49.8Very low50 Ų50124.9 Ų124.952%0.51560%0.6SS.*THydrogen-bonded Turntrans97-18.7172.700000116.8I35I35-G37 PolarHBondContact O-N 2.68Å
38A45.2Very low51.3Low52 Ų52126.2 Ų126.243%0.4360%0.601SS.*THydrogen-bonded Turntrans-70.4-34.1178.100000112.9I35I35-A38 HydrophobicContact CB-CB 4.32Å; I35-A38 HydrophobicContact CG2-CB 4.15Å
39F47Very low52.4Low61 Ų61126.4 Ų126.427%0.26860%0.604SS.*G310 helixtrans-93.9-10.3-172.2-58.5-62.8000114.6R41 R132 A133F39-R41 PolarHBondContact O-N 2.72Å; F39-R132 WeakPolarHBondContact CB-O 3.23Å; F39-R132 WeakPolarHBondContact CD1-O 3.19Å; F39-R132 WeakPolarHBondContact CE1-O 3.29Å; F39-R132 VanDerWaalsContact CG-O 3.29Å; F39-R132 WeakPolarHBondContact CG-O 3.44Å; F39-A133 HydrophobicContact CB-CB 4.4Å; F39-A133 HydrophobicContact CD2-CB 4.26Å; F39-A133 HydrophobicContact CG-CB 4.28Å
40Y44.4Very low53.4Low210 Ų210123 Ų12382%0.82459%0.587SS**G310 helixtrans-74-9.8-179-116-88.9000113.7
41R49.9Very low54.3Low222 Ų222122.4 Ų122.484%0.83857%0.574SS**G310 helixtrans-100.1-3.7-178.6-71.2-173.7-177176.81.5114.7F39F39-R41 PolarHBondContact O-N 2.72Å
42R58.8Low54.6Low74 Ų74119.6 Ų119.628%0.27957%0.568SS.*SBendtrans-101-11.4-168.9-70-175.1178.8-172-10.7115.3P77 E83R42-P77 WeakPolarHBondContact O-CD 3.26Å; R42-E83 IonicContact CZ-OE1 2.73Å; R42-E83 VanDerWaalsContact CZ-OE1 3.29Å; R42-E83 IonicContact NH1-OE1 3.11Å; R42-E83 PolarHBondContact NH1-OE1 3.36Å; R42-E83 IonicContact NH1-OE2 3Å; R42-E83 PolarHBondContact NH1-OE2 3.12Å; R42-E83 IonicContact NH2-OE1 3.92Å; R42-E83 PolarHBondContact NH2-OE1 3.27Å; R42-E83 VanDerWaalsContact NH2-OE1 3.09Å
43A64.8Low54.6Low10 Ų10114.6 Ų114.68%0.08357%0.565CS.*  trans-159149161.600000112.5S75 L76 L128 R132A43-S75 CarbonylContact C-O 3.56Å; A43-S75 WeakPolarHBondContact CA-O 3.46Å; A43-S75 WeakPolarHBondContact CB-O 3.4Å; A43-L76 HydrophobicContact CB-CB 4.46Å; A43-L76 HydrophobicContact CB-CD2 3.18Å; A43-L76 HydrophobicContact CB-CG 3.58Å; A43-L128 HydrophobicContact CB-CD1 4.04Å; A43-R132 VanDerWaalsContact C-CZ 3.49Å; A43-R132 HydrophobicContact CB-CG 4.12Å; A43-R132 PolarHBondContact O-NE 2.91Å; A43-R132 PolarHBondContact O-NH1 3.01Å; A43-R132 PolarHBondContact O-NH2 2.73Å
44Q72.1Confident55Low110 Ų110115.8 Ų115.851%0.51457%0.57SS.*EExtended strand (participates in β ladder)trans-132.9130-177.2-169167.7-2.100109L46 S75Q44-L46 PolarHBondContact O-N 2.98Å; Q44-S75 PolarHBondContact N-O 2.87Å; Q44-S75 PolarHBondContact O-N 2.76Å
45R79.7Confident55.3Low149 Ų149116.2 Ų116.256%0.56258%0.58SS**EExtended strand (participates in β ladder)trans-68.2123.6166.6179.3179174.3-177.50.3106.6R47 I72 Y74R45-R47 PolarHBondContact O-N 2.92Å; R45-I72 HydrophobicContact CG-CG2 3.92Å; R45-I72 VanDerWaalsContact NE-CG2 3.34Å; R45-Y74 HydrophobicContact CB-CD1 4.01Å; R45-Y74 HydrophobicContact CB-CE1 4.1Å; R45-Y74 HydrophobicContact CG-CD1 4.31Å; R45-Y74 HydrophobicContact CG-CE1 4.14Å
46L78.4Confident55.6Low35 Ų35112.4 Ų112.418%0.18356%0.564CS.*PPolyproline II helixtrans-75.9124.2175.5-65.5173.2000107.5Q44 I66 K73Q44-L46 PolarHBondContact O-N 2.98Å; L46-I66 HydrophobicContact CD1-CG2 4.26Å; L46-K73 HydrophobicContact CB-CB 4.15Å; L46-K73 HydrophobicContact CD1-CB 4.18Å; L46-K73 PolarHBondContact N-O 3.46Å
47R73.1Confident56.5Low171 Ų171108.9 Ų108.965%0.64555%0.551SS**PPolyproline II helixtrans-84.4151.9168.9-62.1179.4175.5175.7-1107.9R45 Q49 D50R45-R47 PolarHBondContact O-N 2.92Å; R47-Q49 PolarHBondContact O-N 3.14Å; R47-D50 WeakPolarHBondContact CB-OD2 3.49Å; R47-D50 PolarHBondContact O-N 3.05Å
48P63.3Low56.9Low118 Ų118111.4 Ų111.477%0.76656%0.558SS**G310 helixtrans-55.5-24.5176.7-25.433.8000113.9
49Q55Low57.5Low184 Ų184113.3 Ų113.386%0.8656%0.558SS**G310 helixtrans-81.7-14.3177-65.7177.2-2.900114R47R47-Q49 PolarHBondContact O-N 3.14Å
50D57.7Low58.2Low84 Ų84114 Ų11445%0.44957%0.565SS.*G310 helixtrans-100.25.5179.5-59.1-41.3000111.8R47R47-D50 WeakPolarHBondContact CB-OD2 3.49Å; R47-D50 PolarHBondContact O-N 3.05Å
51E53.5Low59.1Low104 Ų104108.3 Ų108.349%0.48654%0.541SS..PPolyproline II helixtrans-65.5123.4174.7-79.1-165147.500109.3K73E51-K73 IonicContact OE1-NZ 3.63Å; E51-K73 PolarHBondContact OE1-NZ 2.94Å
52P50Low59.9Low84 Ų84107.3 Ų107.355%0.54554%0.538SS..PPolyproline II helixtrans-62.5135.9177.524.7-30.7000109.1Q54P52-Q54 PolarHBondContact O-N 3.01Å
53P44.2Very low60.8Low122 Ų122111.3 Ų111.379%0.79255%0.553SS**SBendtrans-56.7132.2171.522.6-29.9000108.7G55P53-G55 PolarHBondContact O-N 3.17Å; P53-G55 VanDerWaalsContact O-N 3.11Å
54Q47.1Very low61.7Low209 Ų209116.1 Ų116.198%0.97757%0.569SS**SBendtrans-18.4103.6-175.7-74.9172.2-1000114.5P52P52-Q54 PolarHBondContact O-N 3.01Å
55G50.4Low62.4Low62 Ų62110.9 Ų110.964%0.63954%0.544SS*.  trans13873.7174.300000113.7P53 Q57P53-G55 PolarHBondContact O-N 3.17Å; P53-G55 VanDerWaalsContact O-N 3.11Å; G55-Q57 PolarHBondContact O-N 3.02Å
56C47.6Very low62.9Low42 Ų42105.3 Ų105.328%0.28453%0.525SS..  trans-66.4118.8168.3-160.90000108.9
57Q55.7Low63.5Low134 Ų134103.6 Ų103.663%0.62652%0.517SS*.  trans-57.2142.7-179.3-69.3-158.59.800110.4G55 E59 D60G55-Q57 PolarHBondContact O-N 3.02Å; Q57-E59 PolarHBondContact O-N 2.9Å; Q57-E59 VanDerWaalsContact O-N 3.09Å; Q57-D60 PolarHBondContact O-N 2.73Å
58P57.4Low64.5Low102 Ų10296.2 Ų96.266%0.66249%0.49SS*.Hα-helixtrans-55.8-31.5-177.9-23.531.8000113.7R61P58-R61 PolarHBondContact O-N 3.49Å
59E57.7Low65.9Low92 Ų9290.6 Ų90.643%0.4345%0.453SS..Hα-helixtrans-65.6-34177.3-78.3-72.9130.800113.1Q57 R62 R63Q57-E59 PolarHBondContact O-N 2.9Å; Q57-E59 VanDerWaalsContact O-N 3.09Å; E59-R62 PolarHBondContact O-N 3.38Å; E59-R63 IonicContact OE2-CZ 2.87Å; E59-R63 IonicContact OE2-NH2 3.65Å; E59-R63 PolarHBondContact OE2-NH2 3.37Å; E59-R63 VanDerWaalsContact OE2-NH2 3.11Å
60D61.5Low67.6Low77 Ų7783.6 Ų83.641%0.41243%0.43SS..Hα-helixtrans-74-32.2179.8-74.2-35.9000111.7Q57 R62 R63 R64Q57-D60 PolarHBondContact O-N 2.73Å; D60-R62 VanDerWaalsContact C-N 3.26Å; D60-R62 PolarHBondContact O-N 3.48Å; D60-R63 PolarHBondContact O-N 3.32Å; D60-R63 VanDerWaalsContact O-N 3.11Å; D60-R64 PolarHBondContact O-N 2.86Å
61R64.1Low68.9Low89 Ų8982.1 Ų82.134%0.33644%0.435SS..Hα-helixtrans-62.9-31.3175.4-58.6-178.2-172.1-144.4-6.3112.8P58 W78 V110 T111 N113P58-R61 PolarHBondContact O-N 3.49Å; R61-W78 PolarHBondContact O-NE1 2.91Å; R61-V110 PolarHBondContact NH1-O 3.38Å; R61-T111 VanDerWaalsContact CZ-O 3.27Å; R61-T111 PolarHBondContact NH1-O 3.04Å; R61-T111 PolarHBondContact NH2-O 3.28Å; R61-N113 HydrophobicContact CG-CB 4.49Å
62R66.3Low70.6Confident201 Ų20178.9 Ų78.976%0.75842%0.421SS*.Hα-helixtrans-76.6-23.5176.6-71.3-176174.6-177.9-2.5113.1E59 D60E59-R62 PolarHBondContact O-N 3.38Å; D60-R62 VanDerWaalsContact C-N 3.26Å; D60-R62 PolarHBondContact O-N 3.48Å
63R76.4Confident72.5Confident159 Ų15977.3 Ų77.360%0.641%0.405SS*.Hα-helixtrans-100.2-29.1-174.6-64.9179.4-168.1-171.67.4112.7E59 D60 P77 W78E59-R63 IonicContact OE2-CZ 2.87Å; E59-R63 IonicContact OE2-NH2 3.65Å; E59-R63 PolarHBondContact OE2-NH2 3.37Å; E59-R63 VanDerWaalsContact OE2-NH2 3.11Å; D60-R63 PolarHBondContact O-N 3.32Å; D60-R63 VanDerWaalsContact O-N 3.11Å; R63-P77 VanDerWaalsContact O-CA 3.31Å; R63-P77 WeakPolarHBondContact O-CA 3.38Å; R63-W78 PolarHBondContact O-N 2.97Å
64R84.3Confident74.6Confident110 Ų11072 Ų7242%0.41537%0.37SS..EExtended strand (participates in β ladder)trans-132.4149.3-174.4-63.7-177.5175-141.34112.6D60 L76 W78D60-R64 PolarHBondContact O-N 2.86Å; R64-L76 CarbonylContact C-O 3.46Å; R64-L76 WeakPolarHBondContact CA-O 3.5Å; R64-W78 PolarHBondContact O-NE1 2.91Å
65I86.8Confident76.5Confident0 Ų062.6 Ų62.60%033%0.327CS..EExtended strand (participates in β ladder)trans-112.6143172.4-171.2179.1000109.3I67 S75 L76 W78 L81 L92 F115I65-I67 HydrophobicContact CD1-CG1 4.22Å; I65-I67 HydrophobicContact CG1-CG1 4.29Å; I65-I67 HydrophobicContact CG2-CG1 4.37Å; I65-S75 WeakPolarHBondContact O-CA 3.42Å; I65-L76 HydrophobicContact CG2-CB 3.7Å; I65-L76 WeakPolarHBondContact CG2-O 3.45Å; I65-L76 PolarHBondContact N-O 3.08Å; I65-L76 PolarHBondContact O-N 3.19Å; I65-W78 HydrophobicContact CB-CD2 4.24Å; I65-W78 HydrophobicContact CB-CH2 4.26Å; I65-W78 HydrophobicContact CB-CZ2 3.84Å; I65-W78 HydrophobicContact CD1-CH2 3.51Å; I65-W78 HydrophobicContact CD1-CZ2 3.92Å; I65-W78 HydrophobicContact CD1-CZ3 3.85Å; I65-W78 HydrophobicContact CG1-CH2 4.06Å; I65-W78 HydrophobicContact CG1-CZ2 3.93Å; I65-L81 HydrophobicContact CD1-CD1 4.25Å; I65-L81 HydrophobicContact CG2-CD1 4.09Å; I65-L92 HydrophobicContact CD1-CB 4.5Å; I65-L92 HydrophobicContact CD1-CD1 3.69Å; I65-F115 HydrophobicContact CD1-CD2 3.61Å; I65-F115 HydrophobicContact CD1-CE2 3.67Å; I65-F115 HydrophobicContact CD1-CG 4.32Å; I65-F115 HydrophobicContact CD1-CZ 4.39Å; I65-F115 HydrophobicContact CG1-CD2 3.55Å; I65-F115 HydrophobicContact CG1-CE2 3.61Å
66I90.1Very high78.2Confident32 Ų3259.7 Ų59.716%0.16430%0.297CS..EExtended strand (participates in β ladder)trans-105121.6170.9-56.4178.9000107.9L46 K73 Y74 E114 F115L46-I66 HydrophobicContact CD1-CG2 4.26Å; I66-K73 HydrophobicContact CG2-CB 4.37Å; I66-Y74 CarbonylContact C-O 3.33Å; I66-Y74 WeakPolarHBondContact CA-O 3.41Å; I66-E114 HydrophobicContact CB-CB 4.3Å; I66-E114 HydrophobicContact CG2-CB 4.2Å; I66-E114 HydrophobicContact CG2-CG 3.96Å; I66-F115 PolarHBondContact O-N 3.37Å
67I91.7Very high79.9Confident0 Ų058.7 Ų58.70%029%0.29CS..EExtended strand (participates in β ladder)trans-112.4119.7176.8-55.2-173.3000107.6I65 V69 K73 Y74 L76 L89 F117 F124I65-I67 HydrophobicContact CD1-CG1 4.22Å; I65-I67 HydrophobicContact CG1-CG1 4.29Å; I65-I67 HydrophobicContact CG2-CG1 4.37Å; I67-V69 HydrophobicContact CG2-CG2 3.74Å; I67-K73 CarbonylContact O-C 3.53Å; I67-K73 WeakPolarHBondContact O-CA 3.23Å; I67-Y74 PolarHBondContact N-O 3.39Å; I67-Y74 WeakPolarHBondContact O-CD2 3.49Å; I67-Y74 PolarHBondContact O-N 2.95Å; I67-L76 HydrophobicContact CD1-CD1 3.3Å; I67-L76 HydrophobicContact CG1-CD1 3.93Å; I67-L89 HydrophobicContact CD1-CD1 3.55Å; I67-L89 HydrophobicContact CD1-CD2 3.63Å; I67-L89 HydrophobicContact CD1-CG 4.14Å; I67-L89 HydrophobicContact CG2-CD2 4.48Å; I67-F117 HydrophobicContact CG2-CD2 3.76Å; I67-F117 HydrophobicContact CG2-CE2 3.79Å; I67-F124 HydrophobicContact CG2-CE1 4.29Å; I67-F124 HydrophobicContact CG2-CZ 3.94Å
68N92.9Very high81.4Confident15 Ų1554.2 Ų54.28%0.0827%0.267CS..EExtended strand (participates in β ladder)trans-104.2117174.1-176.8-7.5000109.2G71 I72 K73 E114 F115 F116 F117N68-G71 WeakPolarHBondContact OD1-CA 3.4Å; N68-G71 PolarHBondContact OD1-N 3.1Å; N68-I72 WeakPolarHBondContact CA-O 3.37Å; N68-I72 PolarHBondContact OD1-N 2.9Å; N68-K73 HydrophobicContact CB-CG 4.18Å; N68-E114 HydrophobicContact CB-CG 3.96Å; N68-E114 WeakPolarHBondContact CB-OE1 3.31Å; N68-E114 PolarHBondContact ND2-OE1 2.85Å; N68-F115 PolarHBondContact N-O 3.49Å; N68-F116 HydrophobicContact CB-CD2 4.05Å; N68-F116 CarbonylContact O-C 3.56Å; N68-F116 WeakPolarHBondContact O-CA 3.47Å; N68-F117 PolarHBondContact O-N 2.83Å
69V93.9Very high82.6Confident0 Ų053.6 Ų53.60%026%0.261CS..EExtended strand (participates in β ladder)trans-118.1116.1177.5-172.60000109.1I67 G71 I72 Y74 F117 R119 F124 W154I67-V69 HydrophobicContact CG2-CG2 3.74Å; V69-G71 PolarHBondContact O-N 3.5Å; V69-G71 VanDerWaalsContact O-N 3.14Å; V69-I72 PolarHBondContact N-O 2.57Å; V69-I72 PolarHBondContact O-N 2.64Å; V69-Y74 HydrophobicContact CB-CE2 4.35Å; V69-Y74 HydrophobicContact CG2-CE2 4.49Å; V69-F117 WeakPolarHBondContact CA-O 3.19Å; V69-F117 HydrophobicContact CG1-CB 4.47Å; V69-F117 HydrophobicContact CG2-CB 4.26Å; V69-F117 HydrophobicContact CG2-CD2 4.42Å; V69-R119 HydrophobicContact CG1-CB 3.9Å; V69-F124 HydrophobicContact CB-CB 4.24Å; V69-F124 HydrophobicContact CB-CD1 3.99Å; V69-F124 HydrophobicContact CB-CG 4.06Å; V69-F124 HydrophobicContact CG1-CB 3.86Å; V69-F124 HydrophobicContact CG1-CG 4.08Å; V69-F124 HydrophobicContact CG2-CB 4.32Å; V69-F124 HydrophobicContact CG2-CD1 3.48Å; V69-F124 VanDerWaalsContact CG2-CD1 3.48Å; V69-F124 HydrophobicContact CG2-CD2 3.93Å; V69-F124 HydrophobicContact CG2-CE1 3.62Å; V69-F124 HydrophobicContact CG2-CE2 4.05Å; V69-F124 HydrophobicContact CG2-CG 3.63Å; V69-F124 HydrophobicContact CG2-CZ 3.9Å; V69-W154 HydrophobicContact CG1-CZ2 4.18Å; V69-W154 HydrophobicContact CG2-CH2 4Å; V69-W154 HydrophobicContact CG2-CZ2 4.29Å
70G89.8Confident83.8Confident37 Ų3749.2 Ų49.238%0.38124%0.241SC..THydrogen-bonded Turntrans54.932.118000000113.6F117G70-F117 PolarHBondContact N-O 3.27Å
71G86.8Confident84.9Confident53 Ų5345.6 Ų45.655%0.54622%0.222SC..THydrogen-bonded Turntrans89.7-5.1-177.900000115.3N68 V69N68-G71 WeakPolarHBondContact OD1-CA 3.4Å; N68-G71 PolarHBondContact OD1-N 3.1Å; V69-G71 PolarHBondContact O-N 3.5Å; V69-G71 VanDerWaalsContact O-N 3.14Å
72I88.1Confident85.7Confident37 Ų3745 Ų4519%0.1923%0.225CC..EExtended strand (participates in β ladder)trans-96.1120.1175.3-52.7-170000110.4R45 N68 V69 Y74 P121R45-I72 HydrophobicContact CG-CG2 3.92Å; R45-I72 VanDerWaalsContact NE-CG2 3.34Å; N68-I72 WeakPolarHBondContact CA-O 3.37Å; N68-I72 PolarHBondContact OD1-N 2.9Å; V69-I72 PolarHBondContact N-O 2.57Å; V69-I72 PolarHBondContact O-N 2.64Å; I72-Y74 HydrophobicContact CB-CE2 3.88Å; I72-Y74 HydrophobicContact CG2-CD2 4.43Å; I72-Y74 HydrophobicContact CG2-CE1 4.1Å; I72-Y74 HydrophobicContact CG2-CE2 3.68Å; I72-Y74 WeakPolarHBondContact O-CD2 3.47Å; I72-Y74 WeakPolarHBondContact O-CE2 3.49Å; I72-P121 HydrophobicContact CB-CB 4.32Å; I72-P121 HydrophobicContact CD1-CB 3.51Å; I72-P121 HydrophobicContact CD1-CG 4.09Å; I72-P121 HydrophobicContact CG1-CB 3.84Å; I72-P121 HydrophobicContact CG1-CG 4.42Å
73K89.8Confident86.5Confident50 Ų5040 Ų4022%0.21721%0.21CC..EExtended strand (participates in β ladder)trans-88136.8-179.9-56.3-174.5-174.9-170.70112.9L46 E51 I66 I67 N68 E114L46-K73 HydrophobicContact CB-CB 4.15Å; L46-K73 HydrophobicContact CD1-CB 4.18Å; L46-K73 PolarHBondContact N-O 3.46Å; E51-K73 IonicContact OE1-NZ 3.63Å; E51-K73 PolarHBondContact OE1-NZ 2.94Å; I66-K73 HydrophobicContact CG2-CB 4.37Å; I67-K73 CarbonylContact O-C 3.53Å; I67-K73 WeakPolarHBondContact O-CA 3.23Å; N68-K73 HydrophobicContact CB-CG 4.18Å; K73-E114 VanDerWaalsContact CE-OE1 3.29Å; K73-E114 WeakPolarHBondContact CE-OE1 3.49Å; K73-E114 WeakPolarHBondContact CE-OE2 3.46Å; K73-E114 IonicContact NZ-OE1 3.41Å; K73-E114 IonicContact NZ-OE2 2.6Å; K73-E114 PolarHBondContact NZ-OE2 3.48Å
74Y88.4Confident86.8Confident12 Ų1234.2 Ų34.25%0.04719%0.19CC..EExtended strand (participates in β ladder)trans-129.9129.5179-57.3-86.1000110.1R45 I66 I67 V69 I72 F124 L128R45-Y74 HydrophobicContact CB-CD1 4.01Å; R45-Y74 HydrophobicContact CB-CE1 4.1Å; R45-Y74 HydrophobicContact CG-CD1 4.31Å; R45-Y74 HydrophobicContact CG-CE1 4.14Å; I66-Y74 CarbonylContact C-O 3.33Å; I66-Y74 WeakPolarHBondContact CA-O 3.41Å; I67-Y74 PolarHBondContact N-O 3.39Å; I67-Y74 WeakPolarHBondContact O-CD2 3.49Å; I67-Y74 PolarHBondContact O-N 2.95Å; V69-Y74 HydrophobicContact CB-CE2 4.35Å; V69-Y74 HydrophobicContact CG2-CE2 4.49Å; I72-Y74 HydrophobicContact CB-CE2 3.88Å; I72-Y74 HydrophobicContact CG2-CD2 4.43Å; I72-Y74 HydrophobicContact CG2-CE1 4.1Å; I72-Y74 HydrophobicContact CG2-CE2 3.68Å; I72-Y74 WeakPolarHBondContact O-CD2 3.47Å; I72-Y74 WeakPolarHBondContact O-CE2 3.49Å; Y74-F124 AromaticContact CD2-CD1 3.8Å; Y74-F124 HydrophobicContact CD2-CD1 3.8Å; Y74-F124 AromaticContact CD2-CE1 3.57Å; Y74-F124 HydrophobicContact CD2-CE1 3.57Å; Y74-F124 AromaticContact CE2-CD1 3.49Å; Y74-F124 HydrophobicContact CE2-CD1 3.49Å; Y74-F124 VanDerWaalsContact CE2-CD1 3.49Å; Y74-F124 AromaticContact CE2-CE1 3.79Å; Y74-F124 HydrophobicContact CE2-CE1 3.79Å; Y74-F124 HydrophobicContact CG-CE1 4.05Å; Y74-F124 AromaticContact CZ-CD1 3.93Å; Y74-L128 HydrophobicContact CD1-CD2 3.19Å; Y74-L128 HydrophobicContact CE1-CD2 3.51Å; Y74-L128 HydrophobicContact CG-CD2 3.9Å
75S87.3Confident86.8Confident11 Ų1133.1 Ų33.18%0.07720%0.197CC..EExtended strand (participates in β ladder)trans-99.7124.6173.7-175.80000110.2A43 Q44 I65A43-S75 CarbonylContact C-O 3.56Å; A43-S75 WeakPolarHBondContact CA-O 3.46Å; A43-S75 WeakPolarHBondContact CB-O 3.4Å; Q44-S75 PolarHBondContact N-O 2.87Å; Q44-S75 PolarHBondContact O-N 2.76Å; I65-S75 WeakPolarHBondContact O-CA 3.42Å
76L85.2Confident86.8Confident0 Ų040.4 Ų40.40%024%0.235CC..EExtended strand (participates in β ladder)trans-128.2141.5-179.2-75.3145000109.7A43 R64 I65 I67 T80 L128A43-L76 HydrophobicContact CB-CB 4.46Å; A43-L76 HydrophobicContact CB-CD2 3.18Å; A43-L76 HydrophobicContact CB-CG 3.58Å; R64-L76 CarbonylContact C-O 3.46Å; R64-L76 WeakPolarHBondContact CA-O 3.5Å; I65-L76 HydrophobicContact CG2-CB 3.7Å; I65-L76 WeakPolarHBondContact CG2-O 3.45Å; I65-L76 PolarHBondContact N-O 3.08Å; I65-L76 PolarHBondContact O-N 3.19Å; I67-L76 HydrophobicContact CD1-CD1 3.3Å; I67-L76 HydrophobicContact CG1-CD1 3.93Å; L76-T80 HydrophobicContact CD2-CG2 4.18Å; L76-L128 HydrophobicContact CD1-CD1 3.91Å; L76-L128 HydrophobicContact CD2-CD1 3.74Å; L76-L128 HydrophobicContact CG-CD1 4.12Å
77P85.1Confident86.7Confident22 Ų2239.4 Ų39.414%0.14323%0.23CC..EExtended strand (participates in β ladder)trans-70141.7162.4-17.232000110.9R42 R63 T79 T80R42-P77 WeakPolarHBondContact O-CD 3.26Å; R63-P77 VanDerWaalsContact O-CA 3.31Å; R63-P77 WeakPolarHBondContact O-CA 3.38Å; P77-T79 PolarHBondContact O-N 2.96Å; P77-T79 VanDerWaalsContact O-N 3.12Å; P77-T80 WeakPolarHBondContact O-CB 3.46Å; P77-T80 PolarHBondContact O-N 3.08Å; P77-T80 PolarHBondContact O-OG1 3.27Å
78W85.3Confident86.7Confident40 Ų4042.4 Ų42.415%0.15224%0.242CC..Hα-helixtrans-55.4-30.8175.2-75.7108.2000113.2R61 R63 R64 I65 T80 L81 D82 L92 K93 F115R61-W78 PolarHBondContact O-NE1 2.91Å; R63-W78 PolarHBondContact O-N 2.97Å; R64-W78 PolarHBondContact O-NE1 2.91Å; I65-W78 HydrophobicContact CB-CD2 4.24Å; I65-W78 HydrophobicContact CB-CH2 4.26Å; I65-W78 HydrophobicContact CB-CZ2 3.84Å; I65-W78 HydrophobicContact CD1-CH2 3.51Å; I65-W78 HydrophobicContact CD1-CZ2 3.92Å; I65-W78 HydrophobicContact CD1-CZ3 3.85Å; I65-W78 HydrophobicContact CG1-CH2 4.06Å; I65-W78 HydrophobicContact CG1-CZ2 3.93Å; W78-T80 PolarHBondContact O-N 3.33Å; W78-L81 HydrophobicContact CE3-CD1 4.02Å; W78-L81 HydrophobicContact CZ3-CD1 4.14Å; W78-L81 PolarHBondContact O-N 3.43Å; W78-L81 VanDerWaalsContact O-N 3.09Å; W78-D82 PolarHBondContact O-N 2.98Å; W78-L92 HydrophobicContact CH2-CB 4.48Å; W78-L92 HydrophobicContact CZ3-CB 4.29Å; W78-K93 HydrophobicContact CE3-CB 4.13Å; W78-K93 HydrophobicContact CE3-CD 4.41Å; W78-K93 HydrophobicContact CE3-CG 4.17Å; W78-K93 HydrophobicContact CZ3-CB 3.96Å; W78-K93 HydrophobicContact CZ3-CG 4.35Å; W78-F115 HydrophobicContact CH2-CE2 4.49Å; W78-F115 HydrophobicContact CH2-CZ 4.45Å
79T84.1Confident86.6Confident88 Ų8841.9 Ų41.954%0.5424%0.239SC..Hα-helixtrans-62.6-19.9176.754.90000114.3P77 D82P77-T79 PolarHBondContact O-N 2.96Å; P77-T79 VanDerWaalsContact O-N 3.12Å; T79-D82 WeakPolarHBondContact CA-OD2 3.12Å
80T82.9Confident86.2Confident0 Ų042.3 Ų42.30%024%0.243CC..Hα-helixtrans-74.8-33.5176.2-50.30000110.9L76 P77 W78 D82 L131L76-T80 HydrophobicContact CD2-CG2 4.18Å; P77-T80 WeakPolarHBondContact O-CB 3.46Å; P77-T80 PolarHBondContact O-N 3.08Å; P77-T80 PolarHBondContact O-OG1 3.27Å; W78-T80 PolarHBondContact O-N 3.33Å; T80-D82 VanDerWaalsContact C-N 3.33Å; T80-L131 WeakPolarHBondContact CG2-O 3.2Å
81L83.7Confident86.2Confident1 Ų144.9 Ų44.91%0.00525%0.245CC..Hα-helixtrans-76.7-24.6179.6-58.6-179.6000111.7I65 W78 E83 F84 L89I65-L81 HydrophobicContact CD1-CD1 4.25Å; I65-L81 HydrophobicContact CG2-CD1 4.09Å; W78-L81 HydrophobicContact CE3-CD1 4.02Å; W78-L81 HydrophobicContact CZ3-CD1 4.14Å; W78-L81 PolarHBondContact O-N 3.43Å; W78-L81 VanDerWaalsContact O-N 3.09Å; L81-E83 PolarHBondContact O-N 3.27Å; L81-F84 CarbonylContact O-C 3.45Å; L81-F84 PolarHBondContact O-N 3.16Å; L81-L89 HydrophobicContact CD2-CB 3.71Å; L81-L89 HydrophobicContact CD2-CD1 4.49Å
82D82.3Confident86.3Confident77 Ų7742.6 Ų42.641%0.41222%0.22SC..THydrogen-bonded Turntrans-61.9-27.5173.9-71-34.5000113.4W78 T79 T80 F84 K93W78-D82 PolarHBondContact O-N 2.98Å; T79-D82 WeakPolarHBondContact CA-OD2 3.12Å; T80-D82 VanDerWaalsContact C-N 3.33Å; D82-F84 PolarHBondContact O-N 3.41Å; D82-K93 WeakPolarHBondContact OD1-CD 3.41Å; D82-K93 WeakPolarHBondContact OD1-CE 3.3Å; D82-K93 IonicContact OD1-NZ 3.62Å; D82-K93 PolarHBondContact OD1-NZ 2.96Å; D82-K93 IonicContact OD2-NZ 2.73Å; D82-K93 PolarHBondContact OD2-NZ 2.95Å
83E81.2Confident86.1Confident96 Ų9645.8 Ų45.845%0.44923%0.233SC..THydrogen-bonded Turntrans-73.9-15.7176.6-65.2-178.2-177.600112R42 L81R42-E83 IonicContact CZ-OE1 2.73Å; R42-E83 VanDerWaalsContact CZ-OE1 3.29Å; R42-E83 IonicContact NH1-OE1 3.11Å; R42-E83 PolarHBondContact NH1-OE1 3.36Å; R42-E83 IonicContact NH1-OE2 3Å; R42-E83 PolarHBondContact NH1-OE2 3.12Å; R42-E83 IonicContact NH2-OE1 3.92Å; R42-E83 PolarHBondContact NH2-OE1 3.27Å; R42-E83 VanDerWaalsContact NH2-OE1 3.09Å; L81-E83 PolarHBondContact O-N 3.27Å
84F84.3Confident85.8Confident38 Ų3847.3 Ų47.317%0.16726%0.255CS..  trans-137.859-173.6-56.9-78.8000113L81 D82 L86 T87 F130 L131L81-F84 CarbonylContact O-C 3.45Å; L81-F84 PolarHBondContact O-N 3.16Å; D82-F84 PolarHBondContact O-N 3.41Å; F84-L86 VanDerWaalsContact C-N 3.26Å; F84-L86 PolarHBondContact O-N 3.05Å; F84-T87 HydrophobicContact CB-CG2 3.8Å; F84-T87 PolarHBondContact O-N 2.87Å; F84-T87 VanDerWaalsContact O-N 3.14Å; F84-T87 PolarHBondContact O-OG1 2.82Å; F84-F130 HydrophobicContact CD1-CE1 4.06Å; F84-F130 HydrophobicContact CD1-CZ 4.03Å; F84-F130 AromaticContact CE1-CE1 3.93Å; F84-F130 HydrophobicContact CE1-CE1 3.93Å; F84-F130 HydrophobicContact CE1-CE2 4.25Å; F84-F130 AromaticContact CE1-CZ 3.59Å; F84-F130 HydrophobicContact CE1-CZ 3.59Å; F84-F130 HydrophobicContact CZ-CZ 4.34Å; F84-L131 HydrophobicContact CB-CD2 4.05Å; F84-L131 HydrophobicContact CD2-CD2 3.6Å; F84-L131 HydrophobicContact CE2-CD2 4.2Å; F84-L131 HydrophobicContact CG-CD2 3.84Å
85P84.2Confident85.7Confident86 Ų8647.9 Ų47.956%0.55826%0.261SS*.THydrogen-bonded Turntrans-66.2-24.1-170.627.4-36000114.2T87P85-T87 VanDerWaalsContact C-N 3.34Å
86L85.3Confident85.5Confident154 Ų15452.9 Ų52.981%0.80629%0.29SS*.THydrogen-bonded Turntrans-79.7-16.1179.7-62.1176.5000113.3F84F84-L86 VanDerWaalsContact C-N 3.26Å; F84-L86 PolarHBondContact O-N 3.05Å
87T89.4Confident85.6Confident10 Ų1057.6 Ų57.66%0.06132%0.316CS..SBendtrans-72155.5177.564.50000110.6F84 P85 L89 G90 Q91 W154 I156F84-T87 HydrophobicContact CB-CG2 3.8Å; F84-T87 PolarHBondContact O-N 2.87Å; F84-T87 VanDerWaalsContact O-N 3.14Å; F84-T87 PolarHBondContact O-OG1 2.82Å; P85-T87 VanDerWaalsContact C-N 3.34Å; T87-L89 PolarHBondContact O-N 3.12Å; T87-G90 WeakPolarHBondContact O-CA 3.35Å; T87-G90 PolarHBondContact O-N 3.43Å; T87-G90 PolarHBondContact OG1-N 3.22Å; T87-G90 VanDerWaalsContact OG1-N 3.16Å; T87-Q91 PolarHBondContact O-N 3.4Å; T87-Q91 VanDerWaalsContact O-N 3.13Å; T87-W154 WeakPolarHBondContact CA-O 3.23Å; T87-W154 WeakPolarHBondContact CB-O 3.44Å; T87-I156 HydrophobicContact CG2-CG1 3.88Å
88R91.1Very high85.6Confident64 Ų6461.3 Ų61.324%0.24233%0.33CS..Hα-helixtrans-54.1-39.6177-176-179.1-77.2-125.82.1111.9Q91 V104 Y153 W154R88-Q91 WeakPolarHBondContact O-CB 3.24Å; R88-Q91 PolarHBondContact O-N 3.11Å; R88-V104 HydrophobicContact CG-CG1 3.7Å; R88-V104 PolarHBondContact NH1-O 3.42Å; R88-V104 WeakPolarHBondContact O-CG1 3.36Å; R88-Y153 PolarHBondContact NE-O 3.39Å; R88-Y153 PolarHBondContact NH1-OH 3.35Å; R88-W154 PolarHBondContact N-O 3.49Å
89L90.3Very high85.6Confident3 Ų364.9 Ų64.92%0.01635%0.352CS..Hα-helixtrans-70.1-33.8176-66.9-175.6000113.1I67 L81 T87 Q91 L92 F117 F124 L131 W154I67-L89 HydrophobicContact CD1-CD1 3.55Å; I67-L89 HydrophobicContact CD1-CD2 3.63Å; I67-L89 HydrophobicContact CD1-CG 4.14Å; I67-L89 HydrophobicContact CG2-CD2 4.48Å; L81-L89 HydrophobicContact CD2-CB 3.71Å; L81-L89 HydrophobicContact CD2-CD1 4.49Å; T87-L89 PolarHBondContact O-N 3.12Å; L89-Q91 PolarHBondContact O-N 3.42Å; L89-L92 HydrophobicContact CD2-CD1 3.8Å; L89-L92 WeakPolarHBondContact O-CB 3.2Å; L89-L92 PolarHBondContact O-N 3.17Å; L89-F117 HydrophobicContact CD2-CE1 4.46Å; L89-F117 HydrophobicContact CD2-CE2 3.87Å; L89-F117 HydrophobicContact CD2-CZ 3.66Å; L89-F124 HydrophobicContact CD1-CE2 3.75Å; L89-F124 HydrophobicContact CD1-CZ 3.81Å; L89-L131 HydrophobicContact CD1-CD1 3.71Å; L89-W154 HydrophobicContact CD1-CE3 4.34Å; L89-W154 HydrophobicContact CD1-CZ3 4.23Å; L89-W154 HydrophobicContact CD2-CE3 4.19Å; L89-W154 HydrophobicContact CD2-CZ3 3.61Å; L89-W154 HydrophobicContact CG-CE3 3.9Å; L89-W154 HydrophobicContact CG-CZ3 3.82Å
90G87.1Confident85.8Confident9 Ų963.5 Ų63.59%0.09334%0.341CS..Hα-helixtrans-59.4-35.6172.400000112.8T87 L92 K93T87-G90 WeakPolarHBondContact O-CA 3.35Å; T87-G90 PolarHBondContact O-N 3.43Å; T87-G90 PolarHBondContact OG1-N 3.22Å; T87-G90 VanDerWaalsContact OG1-N 3.16Å; G90-L92 VanDerWaalsContact C-N 3.27Å; G90-L92 PolarHBondContact O-N 3.07Å; G90-K93 PolarHBondContact O-N 2.97Å
91Q89.3Confident86Confident91 Ų9164.4 Ų64.443%0.42535%0.346SS..Hα-helixtrans-65.1-27.7-180-63.8170.719.900113T87 R88 L89 K93 A94 C95 V104T87-Q91 PolarHBondContact O-N 3.4Å; T87-Q91 VanDerWaalsContact O-N 3.13Å; R88-Q91 WeakPolarHBondContact O-CB 3.24Å; R88-Q91 PolarHBondContact O-N 3.11Å; L89-Q91 PolarHBondContact O-N 3.42Å; Q91-K93 PolarHBondContact O-N 3.49Å; Q91-A94 WeakPolarHBondContact O-CB 3.23Å; Q91-A94 PolarHBondContact O-N 3.33Å; Q91-C95 PolarHBondContact O-N 3.01Å; Q91-C95 PolarHBondContact O-SG 3.46Å; Q91-C95 VanDerWaalsContact O-SG 3.36Å; Q91-V104 HydrophobicContact CB-CG2 4.4Å
92L88.4Confident86.2Confident6 Ų667.7 Ų67.73%0.03136%0.363CS..THydrogen-bonded Turntrans-56.3-27.7178.5-67.8174.6000113.3I65 W78 L89 G90 A94 V104 F115 F117I65-L92 HydrophobicContact CD1-CB 4.5Å; I65-L92 HydrophobicContact CD1-CD1 3.69Å; W78-L92 HydrophobicContact CH2-CB 4.48Å; W78-L92 HydrophobicContact CZ3-CB 4.29Å; L89-L92 HydrophobicContact CD2-CD1 3.8Å; L89-L92 WeakPolarHBondContact O-CB 3.2Å; L89-L92 PolarHBondContact O-N 3.17Å; G90-L92 VanDerWaalsContact C-N 3.27Å; G90-L92 PolarHBondContact O-N 3.07Å; L92-A94 VanDerWaalsContact C-N 3.35Å; L92-V104 HydrophobicContact CD2-CB 3.87Å; L92-V104 HydrophobicContact CD2-CG1 3.5Å; L92-V104 VanDerWaalsContact CD2-CG1 3.5Å; L92-V104 HydrophobicContact CG-CG1 3.96Å; L92-F115 HydrophobicContact CD1-CD1 4.25Å; L92-F115 HydrophobicContact CD1-CG 4.3Å; L92-F115 HydrophobicContact CD2-CD1 3.71Å; L92-F115 HydrophobicContact CD2-CE1 3.89Å; L92-F117 HydrophobicContact CD1-CZ 4.18Å
93K83.1Confident86.5Confident103 Ų10370.2 Ų70.245%0.44838%0.377SS..THydrogen-bonded Turntrans-76.7-24.1178.3-165175.7179.4-175.80112.8W78 D82 G90 Q91W78-K93 HydrophobicContact CE3-CB 4.13Å; W78-K93 HydrophobicContact CE3-CD 4.41Å; W78-K93 HydrophobicContact CE3-CG 4.17Å; W78-K93 HydrophobicContact CZ3-CB 3.96Å; W78-K93 HydrophobicContact CZ3-CG 4.35Å; D82-K93 WeakPolarHBondContact OD1-CD 3.41Å; D82-K93 WeakPolarHBondContact OD1-CE 3.3Å; D82-K93 IonicContact OD1-NZ 3.62Å; D82-K93 PolarHBondContact OD1-NZ 2.96Å; D82-K93 IonicContact OD2-NZ 2.73Å; D82-K93 PolarHBondContact OD2-NZ 2.95Å; G90-K93 PolarHBondContact O-N 2.97Å; Q91-K93 PolarHBondContact O-N 3.49Å
94A84.4Confident86.9Confident82 Ų8266.2 Ų66.268%0.67836%0.359SS*.THydrogen-bonded Turntrans-83.9-16.8177.500000112.6Q91 L92 T96Q91-A94 WeakPolarHBondContact O-CB 3.23Å; Q91-A94 PolarHBondContact O-N 3.33Å; L92-A94 VanDerWaalsContact C-N 3.35Å; A94-T96 PolarHBondContact O-N 3.4Å
95C86.8Confident87.2Confident25 Ų2564.6 Ų64.617%0.16935%0.352CS..  trans-68.2126.1176.8-57.10000110.8Q91 D100 I101Q91-C95 PolarHBondContact O-N 3.01Å; Q91-C95 PolarHBondContact O-SG 3.46Å; Q91-C95 VanDerWaalsContact O-SG 3.36Å; C95-D100 HydrophobicContact CB-CB 3.88Å; C95-D100 PolarHBondContact SG-O 2.99Å; C95-D100 VanDerWaalsContact SG-O 3.36Å; C95-I101 HydrophobicContact CB-CG1 3.75Å
96T81.7Confident87.5Confident115 Ų11564.7 Ų64.771%0.70635%0.348SS*.  trans-109.1-27.6178.450.50000112.6A94A94-T96 PolarHBondContact O-N 3.4Å
97N86.9Confident87.7Confident99 Ų9961.9 Ų61.953%0.52933%0.333SS..SBendtrans-115.4161.8-177.3-60.1-18.9000111.8D99 D100 I101N97-D99 VanDerWaalsContact C-N 3.31Å; N97-D99 PolarHBondContact O-N 2.81Å; N97-D100 PolarHBondContact N-OD2 3.45Å; N97-D100 PolarHBondContact O-N 2.91Å; N97-I101 WeakPolarHBondContact O-CG1 3.41Å; N97-I101 PolarHBondContact O-N 3.23Å
98F85.5Confident87.8Confident101 Ų10163.1 Ų63.144%0.44334%0.337SS..Hα-helixtrans-61-39179.3-174.8-101.7000112.5D100 I101 L102 Y108F98-D100 VanDerWaalsContact C-N 3.32Å; F98-D100 PolarHBondContact O-N 3.14Å; F98-I101 WeakPolarHBondContact O-CB 3.16Å; F98-I101 PolarHBondContact O-N 2.65Å; F98-I101 VanDerWaalsContact O-N 3.17Å; F98-L102 HydrophobicContact CD1-CD1 3.81Å; F98-L102 HydrophobicContact CD1-CG 4.33Å; F98-L102 HydrophobicContact CE1-CD1 3.27Å; F98-L102 HydrophobicContact CE1-CG 3.97Å; F98-L102 HydrophobicContact CZ-CD1 3.82Å; F98-L102 HydrophobicContact CZ-CD2 4.4Å; F98-L102 HydrophobicContact CZ-CG 4.18Å; F98-L102 PolarHBondContact O-N 3.07Å; F98-L102 VanDerWaalsContact O-N 3.07Å; F98-Y108 HydrophobicContact CD2-CD1 4.01Å; F98-Y108 AromaticContact CE2-CD1 3.93Å; F98-Y108 HydrophobicContact CE2-CD1 3.93Å
99D85.3Confident87.5Confident115 Ų11562.8 Ų62.862%0.61534%0.34SS*.Hα-helixtrans-64.5-36.9177.5-60-36.3000112N97 I101 L102 N103N97-D99 VanDerWaalsContact C-N 3.31Å; N97-D99 PolarHBondContact O-N 2.81Å; D99-I101 VanDerWaalsContact C-N 3.28Å; D99-I101 PolarHBondContact O-N 2.73Å; D99-L102 PolarHBondContact O-N 2.89Å; D99-N103 VanDerWaalsContact O-CG 3.3Å; D99-N103 PolarHBondContact O-N 3.42Å; D99-N103 VanDerWaalsContact O-N 3.11Å; D99-N103 PolarHBondContact O-ND2 3.24Å; D99-N103 VanDerWaalsContact O-ND2 3.12Å
100D87.9Confident87.2Confident58 Ų5866.7 Ų66.731%0.3136%0.364SS..Hα-helixtrans-67.2-32.2176.5-59.4-33.8000111.7C95 N97 F98C95-D100 HydrophobicContact CB-CB 3.88Å; C95-D100 PolarHBondContact SG-O 2.99Å; C95-D100 VanDerWaalsContact SG-O 3.36Å; N97-D100 PolarHBondContact N-OD2 3.45Å; N97-D100 PolarHBondContact O-N 2.91Å; F98-D100 VanDerWaalsContact C-N 3.32Å; F98-D100 PolarHBondContact O-N 3.14Å
101I87.6Confident86.8Confident20 Ų2070.8 Ų70.810%0.10339%0.388CS..Hα-helixtrans-69.4-47.2176.8-67.6170.3000109.9C95 N97 F98 D99 N103 V104 C105 Y108 F115C95-I101 HydrophobicContact CB-CG1 3.75Å; N97-I101 WeakPolarHBondContact O-CG1 3.41Å; N97-I101 PolarHBondContact O-N 3.23Å; F98-I101 WeakPolarHBondContact O-CB 3.16Å; F98-I101 PolarHBondContact O-N 2.65Å; F98-I101 VanDerWaalsContact O-N 3.17Å; D99-I101 VanDerWaalsContact C-N 3.28Å; D99-I101 PolarHBondContact O-N 2.73Å; I101-N103 PolarHBondContact O-N 3.29Å; I101-V104 PolarHBondContact O-N 2.83Å; I101-C105 WeakPolarHBondContact CG2-SG 3.48Å; I101-C105 PolarHBondContact O-N 3.44Å; I101-C105 PolarHBondContact O-SG 2.9Å; I101-Y108 HydrophobicContact CD1-CD1 4.11Å; I101-Y108 HydrophobicContact CD1-CE1 3.97Å; I101-Y108 HydrophobicContact CG2-CD1 4.14Å; I101-Y108 HydrophobicContact CG2-CD2 4.22Å; I101-Y108 HydrophobicContact CG2-CG 3.77Å; I101-F115 HydrophobicContact CB-CE1 4.5Å; I101-F115 HydrophobicContact CD1-CE1 4.28Å; I101-F115 HydrophobicContact CG1-CE1 4.25Å; I101-F115 HydrophobicContact CG2-CD1 3.77Å; I101-F115 HydrophobicContact CG2-CE1 3.52Å
102L88.7Confident86Confident69 Ų6969 Ų6936%0.36138%0.384SS..Hα-helixtrans-67.5-18.5178.8-69.9-178000113.9F98 D99 V104 C105F98-L102 HydrophobicContact CD1-CD1 3.81Å; F98-L102 HydrophobicContact CD1-CG 4.33Å; F98-L102 HydrophobicContact CE1-CD1 3.27Å; F98-L102 HydrophobicContact CE1-CG 3.97Å; F98-L102 HydrophobicContact CZ-CD1 3.82Å; F98-L102 HydrophobicContact CZ-CD2 4.4Å; F98-L102 HydrophobicContact CZ-CG 4.18Å; F98-L102 PolarHBondContact O-N 3.07Å; F98-L102 VanDerWaalsContact O-N 3.07Å; D99-L102 PolarHBondContact O-N 2.89Å; L102-V104 PolarHBondContact O-N 3.42Å; L102-C105 CarbonylContact C-O 3.23Å; L102-C105 VanDerWaalsContact O-O 3.07Å
103N88.1Confident85.8Confident131 Ų13169.6 Ų69.670%0.70139%0.388SS*.THydrogen-bonded Turntrans-72-19.5169.4-73.4-36.5000112.9D99 I101D99-N103 VanDerWaalsContact O-CG 3.3Å; D99-N103 PolarHBondContact O-N 3.42Å; D99-N103 VanDerWaalsContact O-N 3.11Å; D99-N103 PolarHBondContact O-ND2 3.24Å; D99-N103 VanDerWaalsContact O-ND2 3.12Å; I101-N103 PolarHBondContact O-N 3.29Å
104V89.1Confident86.1Confident12 Ų1265.7 Ų65.77%0.07337%0.371CS..THydrogen-bonded Turntrans-104.7-42.2-175.8-178.60000111.8R88 Q91 L92 I101 L102 F117R88-V104 HydrophobicContact CG-CG1 3.7Å; R88-V104 PolarHBondContact NH1-O 3.42Å; R88-V104 WeakPolarHBondContact O-CG1 3.36Å; Q91-V104 HydrophobicContact CB-CG2 4.4Å; L92-V104 HydrophobicContact CD2-CB 3.87Å; L92-V104 HydrophobicContact CD2-CG1 3.5Å; L92-V104 VanDerWaalsContact CD2-CG1 3.5Å; L92-V104 HydrophobicContact CG-CG1 3.96Å; I101-V104 PolarHBondContact O-N 2.83Å; L102-V104 PolarHBondContact O-N 3.42Å; V104-F117 WeakPolarHBondContact O-CE1 3.33Å
105C91Very high86.4Confident3 Ų362 Ų622%0.0234%0.34CS..SBendtrans-119.4159-179.168.60000112.5I101 L102 D107 F115 F116 F117I101-C105 WeakPolarHBondContact CG2-SG 3.48Å; I101-C105 PolarHBondContact O-N 3.44Å; I101-C105 PolarHBondContact O-SG 2.9Å; L102-C105 CarbonylContact C-O 3.23Å; L102-C105 VanDerWaalsContact O-O 3.07Å; C105-D107 PolarHBondContact SG-O 3.24Å; C105-D107 VanDerWaalsContact SG-O 3.42Å; C105-F115 HydrophobicContact CB-CB 4.47Å; C105-F116 WeakPolarHBondContact CB-O 3.49Å; C105-F117 HydrophobicContact CB-CD1 4.17Å; C105-F117 HydrophobicContact CB-CE1 3.64Å; C105-F117 HydrophobicContact CB-CE2 4.02Å; C105-F117 HydrophobicContact CB-CZ 3.55Å
106D90.6Very high86.8Confident89 Ų8963.6 Ų63.648%0.47634%0.344SS..SBendtrans-78.7-30.1-173.7-58.6-55.2000112.7F116 F117 D118D106-F116 HydrophobicContact CB-CD1 4.23Å; D106-F116 PolarHBondContact N-O 2.88Å; D106-F117 WeakPolarHBondContact OD2-CA 3.43Å; D106-D118 PolarHBondContact OD2-N 2.93Å
107D90.4Very high87.4Confident94 Ų9458.1 Ų58.150%0.50331%0.31SS..EExtended strand (participates in β ladder)trans-152.2156174-161.61.9000111.1C105 F116C105-D107 PolarHBondContact SG-O 3.24Å; C105-D107 VanDerWaalsContact SG-O 3.42Å; D107-F116 HydrophobicContact CB-CB 3.95Å; D107-F116 HydrophobicContact CB-CD1 4.06Å; D107-F116 HydrophobicContact CB-CG 4.42Å; D107-F116 PolarHBondContact N-O 3.35Å; D107-F116 PolarHBondContact O-N 3.03Å
108Y89.8Confident87.7Confident36 Ų3659 Ų5914%0.14132%0.315CS..EExtended strand (participates in β ladder)trans-140.4116.3-179.7177-118.8000112.5F98 I101 V110 N113 E114 F115F98-Y108 HydrophobicContact CD2-CD1 4.01Å; F98-Y108 AromaticContact CE2-CD1 3.93Å; F98-Y108 HydrophobicContact CE2-CD1 3.93Å; I101-Y108 HydrophobicContact CD1-CD1 4.11Å; I101-Y108 HydrophobicContact CD1-CE1 3.97Å; I101-Y108 HydrophobicContact CG2-CD1 4.14Å; I101-Y108 HydrophobicContact CG2-CD2 4.22Å; I101-Y108 HydrophobicContact CG2-CG 3.77Å; Y108-V110 HydrophobicContact CD1-CG2 4.02Å; Y108-V110 HydrophobicContact CE1-CB 4.44Å; Y108-V110 HydrophobicContact CE1-CG2 3.81Å; Y108-N113 PolarHBondContact OH-OD1 3.28Å; Y108-E114 WeakPolarHBondContact CA-O 3.4Å; Y108-E114 WeakPolarHBondContact CD2-O 3.47Å; Y108-F115 AromaticContact CD2-CD1 3.6Å; Y108-F115 HydrophobicContact CD2-CD1 3.6Å; Y108-F115 HydrophobicContact CD2-CD2 4.07Å; Y108-F115 AromaticContact CD2-CE1 3.58Å; Y108-F115 HydrophobicContact CD2-CE1 3.58Å; Y108-F115 HydrophobicContact CD2-CE2 4.03Å; Y108-F115 AromaticContact CD2-CG 3.87Å; Y108-F115 HydrophobicContact CD2-CG 3.87Å; Y108-F115 AromaticContact CD2-CZ 3.8Å; Y108-F115 HydrophobicContact CD2-CZ 3.8Å; Y108-F115 HydrophobicContact CE2-CD1 4.06Å; Y108-F115 AromaticContact CE2-CD2 3.95Å; Y108-F115 HydrophobicContact CE2-CD2 3.95Å; Y108-F115 AromaticContact CE2-CE1 3.65Å; Y108-F115 HydrophobicContact CE2-CE1 3.65Å; Y108-F115 AromaticContact CE2-CE2 3.51Å; Y108-F115 HydrophobicContact CE2-CE2 3.51Å; Y108-F115 HydrophobicContact CE2-CG 4.21Å; Y108-F115 AromaticContact CE2-CZ 3.35Å; Y108-F115 HydrophobicContact CE2-CZ 3.35Å; Y108-F115 HydrophobicContact CG-CD1 4.42Å; Y108-F115 HydrophobicContact CG-CE1 4.35Å
109D86.4Confident88.1Confident57 Ų5757.5 Ų57.531%0.30531%0.307SS..EExtended strand (participates in β ladder)trans-91.4107.1173.6177.711.7000111.1T111 C112 N113 E114D109-T111 VanDerWaalsContact C-N 3.25Å; D109-T111 VanDerWaalsContact CG-OG1 3.26Å; D109-T111 PolarHBondContact O-N 3.29Å; D109-T111 WeakPolarHBondContact OD1-CA 3.44Å; D109-T111 WeakPolarHBondContact OD1-CB 3.38Å; D109-T111 PolarHBondContact OD1-N 3.31Å; D109-T111 PolarHBondContact OD1-OG1 2.89Å; D109-T111 PolarHBondContact OD2-OG1 2.93Å; D109-T111 VanDerWaalsContact OD2-OG1 3.07Å; D109-C112 PolarHBondContact O-N 3.2Å; D109-C112 VanDerWaalsContact OD2-CB 3.29Å; D109-C112 WeakPolarHBondContact OD2-CB 3.33Å; D109-C112 PolarHBondContact OD2-N 3.12Å; D109-C112 PolarHBondContact OD2-SG 2.9Å; D109-N113 VanDerWaalsContact O-CA 3.23Å; D109-N113 WeakPolarHBondContact O-CA 3.49Å; D109-N113 PolarHBondContact O-N 2.79Å; D109-E114 HydrophobicContact CB-CB 4.29Å; D109-E114 PolarHBondContact N-O 3.47Å; D109-E114 PolarHBondContact O-N 2.98Å; D109-E114 VanDerWaalsContact O-N 3.1Å
110V82.8Confident88.2Confident86 Ų8655.5 Ų55.552%0.52130%0.296SS..THydrogen-bonded Turntrans-63.3-30.5177.4-172.80000112.3R61 Y108R61-V110 PolarHBondContact NH1-O 3.38Å; Y108-V110 HydrophobicContact CD1-CG2 4.02Å; Y108-V110 HydrophobicContact CE1-CB 4.44Å; Y108-V110 HydrophobicContact CE1-CG2 3.81Å
111T78.6Confident88.3Confident95 Ų9554.5 Ų54.558%0.58329%0.292SS*.THydrogen-bonded Turntrans-72-40.7-17669.80000111.3R61 D109R61-T111 VanDerWaalsContact CZ-O 3.27Å; R61-T111 PolarHBondContact NH1-O 3.04Å; R61-T111 PolarHBondContact NH2-O 3.28Å; D109-T111 VanDerWaalsContact C-N 3.25Å; D109-T111 VanDerWaalsContact CG-OG1 3.26Å; D109-T111 PolarHBondContact O-N 3.29Å; D109-T111 WeakPolarHBondContact OD1-CA 3.44Å; D109-T111 WeakPolarHBondContact OD1-CB 3.38Å; D109-T111 PolarHBondContact OD1-N 3.31Å; D109-T111 PolarHBondContact OD1-OG1 2.89Å; D109-T111 PolarHBondContact OD2-OG1 2.93Å; D109-T111 VanDerWaalsContact OD2-OG1 3.07Å
112C73.8Confident88.2Confident53 Ų5355.4 Ų55.436%0.35831%0.307SS..THydrogen-bonded Turntrans-98.6-7.8179.2-60.40000113.9D109 E114D109-C112 PolarHBondContact O-N 3.2Å; D109-C112 VanDerWaalsContact OD2-CB 3.29Å; D109-C112 WeakPolarHBondContact OD2-CB 3.33Å; D109-C112 PolarHBondContact OD2-N 3.12Å; D109-C112 PolarHBondContact OD2-SG 2.9Å; C112-E114 VanDerWaalsContact C-N 3.28Å; C112-E114 HydrophobicContact CB-CB 4.1Å
113N83Confident88.1Confident18 Ų1852.2 Ų52.210%0.09629%0.29CS..THydrogen-bonded Turntrans53.846.8-169.1-165.539.5000111.6R61 Y108 D109R61-N113 HydrophobicContact CG-CB 4.49Å; Y108-N113 PolarHBondContact OH-OD1 3.28Å; D109-N113 VanDerWaalsContact O-CA 3.23Å; D109-N113 WeakPolarHBondContact O-CA 3.49Å; D109-N113 PolarHBondContact O-N 2.79Å
114E89Confident88.2Confident21 Ų2146 Ų4610%0.09826%0.257CS..EExtended strand (participates in β ladder)trans-108.4124.7-174.8176.9176.2158.600110.2I66 N68 K73 Y108 D109 C112I66-E114 HydrophobicContact CB-CB 4.3Å; I66-E114 HydrophobicContact CG2-CB 4.2Å; I66-E114 HydrophobicContact CG2-CG 3.96Å; N68-E114 HydrophobicContact CB-CG 3.96Å; N68-E114 WeakPolarHBondContact CB-OE1 3.31Å; N68-E114 PolarHBondContact ND2-OE1 2.85Å; K73-E114 VanDerWaalsContact CE-OE1 3.29Å; K73-E114 WeakPolarHBondContact CE-OE1 3.49Å; K73-E114 WeakPolarHBondContact CE-OE2 3.46Å; K73-E114 IonicContact NZ-OE1 3.41Å; K73-E114 IonicContact NZ-OE2 2.6Å; K73-E114 PolarHBondContact NZ-OE2 3.48Å; Y108-E114 WeakPolarHBondContact CA-O 3.4Å; Y108-E114 WeakPolarHBondContact CD2-O 3.47Å; D109-E114 HydrophobicContact CB-CB 4.29Å; D109-E114 PolarHBondContact N-O 3.47Å; D109-E114 PolarHBondContact O-N 2.98Å; D109-E114 VanDerWaalsContact O-N 3.1Å; C112-E114 VanDerWaalsContact C-N 3.28Å; C112-E114 HydrophobicContact CB-CB 4.1Å
115F92.3Very high88.1Confident5 Ų546.6 Ų46.62%0.02227%0.266CS..EExtended strand (participates in β ladder)trans-102.6121.5177.9-62.7-100000109.2I65 I66 N68 W78 L92 I101 C105 Y108 F117I65-F115 HydrophobicContact CD1-CD2 3.61Å; I65-F115 HydrophobicContact CD1-CE2 3.67Å; I65-F115 HydrophobicContact CD1-CG 4.32Å; I65-F115 HydrophobicContact CD1-CZ 4.39Å; I65-F115 HydrophobicContact CG1-CD2 3.55Å; I65-F115 HydrophobicContact CG1-CE2 3.61Å; I66-F115 PolarHBondContact O-N 3.37Å; N68-F115 PolarHBondContact N-O 3.49Å; W78-F115 HydrophobicContact CH2-CE2 4.49Å; W78-F115 HydrophobicContact CH2-CZ 4.45Å; L92-F115 HydrophobicContact CD1-CD1 4.25Å; L92-F115 HydrophobicContact CD1-CG 4.3Å; L92-F115 HydrophobicContact CD2-CD1 3.71Å; L92-F115 HydrophobicContact CD2-CE1 3.89Å; I101-F115 HydrophobicContact CB-CE1 4.5Å; I101-F115 HydrophobicContact CD1-CE1 4.28Å; I101-F115 HydrophobicContact CG1-CE1 4.25Å; I101-F115 HydrophobicContact CG2-CD1 3.77Å; I101-F115 HydrophobicContact CG2-CE1 3.52Å; C105-F115 HydrophobicContact CB-CB 4.47Å; Y108-F115 AromaticContact CD2-CD1 3.6Å; Y108-F115 HydrophobicContact CD2-CD1 3.6Å; Y108-F115 HydrophobicContact CD2-CD2 4.07Å; Y108-F115 AromaticContact CD2-CE1 3.58Å; Y108-F115 HydrophobicContact CD2-CE1 3.58Å; Y108-F115 HydrophobicContact CD2-CE2 4.03Å; Y108-F115 AromaticContact CD2-CG 3.87Å; Y108-F115 HydrophobicContact CD2-CG 3.87Å; Y108-F115 AromaticContact CD2-CZ 3.8Å; Y108-F115 HydrophobicContact CD2-CZ 3.8Å; Y108-F115 HydrophobicContact CE2-CD1 4.06Å; Y108-F115 AromaticContact CE2-CD2 3.95Å; Y108-F115 HydrophobicContact CE2-CD2 3.95Å; Y108-F115 AromaticContact CE2-CE1 3.65Å; Y108-F115 HydrophobicContact CE2-CE1 3.65Å; Y108-F115 AromaticContact CE2-CE2 3.51Å; Y108-F115 HydrophobicContact CE2-CE2 3.51Å; Y108-F115 HydrophobicContact CE2-CG 4.21Å; Y108-F115 AromaticContact CE2-CZ 3.35Å; Y108-F115 HydrophobicContact CE2-CZ 3.35Å; Y108-F115 HydrophobicContact CG-CD1 4.42Å; Y108-F115 HydrophobicContact CG-CE1 4.35Å; F115-F117 HydrophobicContact CB-CE2 3.99Å
116F93.6Very high87.9Confident58 Ų5847.1 Ų47.125%0.25427%0.269SS..EExtended strand (participates in β ladder)trans-100.9137.9-175.9179.6-104.7000112.1N68 C105 D106 D107 D118N68-F116 HydrophobicContact CB-CD2 4.05Å; N68-F116 CarbonylContact O-C 3.56Å; N68-F116 WeakPolarHBondContact O-CA 3.47Å; C105-F116 WeakPolarHBondContact CB-O 3.49Å; D106-F116 HydrophobicContact CB-CD1 4.23Å; D106-F116 PolarHBondContact N-O 2.88Å; D107-F116 HydrophobicContact CB-CB 3.95Å; D107-F116 HydrophobicContact CB-CD1 4.06Å; D107-F116 HydrophobicContact CB-CG 4.42Å; D107-F116 PolarHBondContact N-O 3.35Å; D107-F116 PolarHBondContact O-N 3.03Å; F116-D118 HydrophobicContact CE1-CB 3.96Å; F116-D118 HydrophobicContact CZ-CB 4.29Å
117F95.3Very high87.8Confident0 Ų043 Ų430%025%0.247CC..EExtended strand (participates in β ladder)trans-132120.2176.3-61.9-92.2000109.6I67 N68 V69 G70 L89 L92 V104 C105 D106 F115 R119 Y153 W154I67-F117 HydrophobicContact CG2-CD2 3.76Å; I67-F117 HydrophobicContact CG2-CE2 3.79Å; N68-F117 PolarHBondContact O-N 2.83Å; V69-F117 WeakPolarHBondContact CA-O 3.19Å; V69-F117 HydrophobicContact CG1-CB 4.47Å; V69-F117 HydrophobicContact CG2-CB 4.26Å; V69-F117 HydrophobicContact CG2-CD2 4.42Å; G70-F117 PolarHBondContact N-O 3.27Å; L89-F117 HydrophobicContact CD2-CE1 4.46Å; L89-F117 HydrophobicContact CD2-CE2 3.87Å; L89-F117 HydrophobicContact CD2-CZ 3.66Å; L92-F117 HydrophobicContact CD1-CZ 4.18Å; V104-F117 WeakPolarHBondContact O-CE1 3.33Å; C105-F117 HydrophobicContact CB-CD1 4.17Å; C105-F117 HydrophobicContact CB-CE1 3.64Å; C105-F117 HydrophobicContact CB-CE2 4.02Å; C105-F117 HydrophobicContact CB-CZ 3.55Å; D106-F117 WeakPolarHBondContact OD2-CA 3.43Å; F115-F117 HydrophobicContact CB-CE2 3.99Å; F117-R119 HydrophobicContact CB-CG 4.39Å; F117-R119 PolarHBondContact O-N 3.27Å; F117-Y153 HydrophobicContact CD1-CE1 4.18Å; F117-W154 HydrophobicContact CB-CH2 3.87Å; F117-W154 HydrophobicContact CB-CZ2 4.48Å; F117-W154 AromaticContact CD1-CH2 3.76Å; F117-W154 HydrophobicContact CD1-CH2 3.76Å; F117-W154 AromaticContact CD1-CZ3 3.91Å; F117-W154 HydrophobicContact CD1-CZ3 3.91Å; F117-W154 HydrophobicContact CD2-CH2 4.03Å; F117-W154 HydrophobicContact CD2-CZ3 4.38Å; F117-W154 HydrophobicContact CE1-CH2 4.28Å; F117-W154 AromaticContact CE1-CZ3 3.97Å; F117-W154 HydrophobicContact CE1-CZ3 3.97Å; F117-W154 HydrophobicContact CE2-CZ3 4.45Å; F117-W154 AromaticContact CG-CH2 3.61Å; F117-W154 HydrophobicContact CG-CH2 3.61Å; F117-W154 HydrophobicContact CG-CZ3 4.12Å; F117-W154 HydrophobicContact CZ-CZ3 4.25Å
118D93.9Very high87.6Confident119 Ų11938.7 Ų38.764%0.63622%0.224SC*.  trans-81.865.8177.7-166.319.6000110.8D106 F116D106-D118 PolarHBondContact OD2-N 2.93Å; F116-D118 HydrophobicContact CE1-CB 3.96Å; F116-D118 HydrophobicContact CZ-CB 4.29Å
119R92.9Very high87.2Confident69 Ų6940.4 Ų40.426%0.2624%0.238SC..SBendtrans-131.2170.2-175.7-59.4-62.3-61.8-164.91.4112V69 F117 P121 E150 Y153 W154V69-R119 HydrophobicContact CG1-CB 3.9Å; F117-R119 HydrophobicContact CB-CG 4.39Å; F117-R119 PolarHBondContact O-N 3.27Å; R119-P121 VanDerWaalsContact O-CD 3.24Å; R119-P121 WeakPolarHBondContact O-CD 3.43Å; R119-E150 IonicContact CZ-OE1 2.92Å; R119-E150 VanDerWaalsContact CZ-OE1 3.23Å; R119-E150 IonicContact NE-OE1 3.55Å; R119-E150 PolarHBondContact NE-OE1 3.36Å; R119-E150 IonicContact NE-OE2 3.81Å; R119-E150 IonicContact NH2-OE1 3.6Å; R119-E150 PolarHBondContact NH2-OE1 3.28Å; R119-Y153 HydrophobicContact CG-CD1 4.02Å; R119-Y153 HydrophobicContact CG-CE1 3.53Å; R119-Y153 HydrophobicContact CG-CE2 4.42Å; R119-W154 HydrophobicContact CB-CZ2 4.18Å; R119-W154 HydrophobicContact CG-CZ2 4.22Å
120N88.4Confident87.1Confident72 Ų7237.8 Ų37.839%0.38522%0.224SC..  trans-69114.6-177.9-173.6-28.9000111.7G122 A123 F124N120-G122 VanDerWaalsContact C-N 3.27Å; N120-G122 PolarHBondContact O-N 3.36Å; N120-G122 WeakPolarHBondContact OD1-CA 3.42Å; N120-G122 PolarHBondContact OD1-N 2.85Å; N120-A123 HydrophobicContact CB-CB 4.16Å; N120-A123 PolarHBondContact O-N 2.95Å; N120-A123 PolarHBondContact OD1-N 2.68Å; N120-F124 PolarHBondContact O-N 2.8Å; N120-F124 VanDerWaalsContact O-N 3.11Å
121P88.5Confident87Confident37 Ų3733.8 Ų33.824%0.2420%0.2CC..Hα-helixtrans-65.9-27.7-178.623.1-31.2000113.7I72 R119 G125I72-P121 HydrophobicContact CB-CB 4.32Å; I72-P121 HydrophobicContact CD1-CB 3.51Å; I72-P121 HydrophobicContact CD1-CG 4.09Å; I72-P121 HydrophobicContact CG1-CB 3.84Å; I72-P121 HydrophobicContact CG1-CG 4.42Å; R119-P121 VanDerWaalsContact O-CD 3.24Å; R119-P121 WeakPolarHBondContact O-CD 3.43Å; P121-G125 PolarHBondContact O-N 3.24Å
122G85.4Confident86.9Confident40 Ų4031.9 Ų31.941%0.41218%0.182SC..Hα-helixtrans-66.5-46.1177.300000111.7N120 G125 L139N120-G122 VanDerWaalsContact C-N 3.27Å; N120-G122 PolarHBondContact O-N 3.36Å; N120-G122 WeakPolarHBondContact OD1-CA 3.42Å; N120-G122 PolarHBondContact OD1-N 2.85Å; G122-G125 PolarHBondContact O-N 2.87Å; G122-L139 VanDerWaalsContact O-CD1 3.27Å; G122-L139 WeakPolarHBondContact O-CD1 3.49Å
123A87.3Confident86.8Confident1 Ų130.6 Ų30.61%0.00818%0.175CC..Hα-helixtrans-61.8-46.7174.400000110.9N120 G125 T126 I127 M142 E150N120-A123 HydrophobicContact CB-CB 4.16Å; N120-A123 PolarHBondContact O-N 2.95Å; N120-A123 PolarHBondContact OD1-N 2.68Å; A123-G125 VanDerWaalsContact C-N 3.25Å; A123-G125 PolarHBondContact O-N 3.26Å; A123-T126 VanDerWaalsContact O-CB 3.26Å; A123-T126 WeakPolarHBondContact O-CB 3.25Å; A123-T126 PolarHBondContact O-N 3.08Å; A123-I127 PolarHBondContact O-N 2.79Å; A123-M142 HydrophobicContact CB-CE 4.13Å; A123-M142 HydrophobicContact CB-SD 3.55Å; A123-M142 VanDerWaalsContact CB-SD 3.55Å; A123-E150 HydrophobicContact CB-CB 4.15Å; A123-E150 HydrophobicContact CB-CG 3.58Å
124F89.9Confident86.3Confident0 Ų031.8 Ų31.80%019%0.192CC..Hα-helixtrans-60.9-32.2179.8-172-105.8000113.3I67 V69 Y74 L89 N120 T126 I127 L128 W154I67-F124 HydrophobicContact CG2-CE1 4.29Å; I67-F124 HydrophobicContact CG2-CZ 3.94Å; V69-F124 HydrophobicContact CB-CB 4.24Å; V69-F124 HydrophobicContact CB-CD1 3.99Å; V69-F124 HydrophobicContact CB-CG 4.06Å; V69-F124 HydrophobicContact CG1-CB 3.86Å; V69-F124 HydrophobicContact CG1-CG 4.08Å; V69-F124 HydrophobicContact CG2-CB 4.32Å; V69-F124 HydrophobicContact CG2-CD1 3.48Å; V69-F124 VanDerWaalsContact CG2-CD1 3.48Å; V69-F124 HydrophobicContact CG2-CD2 3.93Å; V69-F124 HydrophobicContact CG2-CE1 3.62Å; V69-F124 HydrophobicContact CG2-CE2 4.05Å; V69-F124 HydrophobicContact CG2-CG 3.63Å; V69-F124 HydrophobicContact CG2-CZ 3.9Å; Y74-F124 AromaticContact CD2-CD1 3.8Å; Y74-F124 HydrophobicContact CD2-CD1 3.8Å; Y74-F124 AromaticContact CD2-CE1 3.57Å; Y74-F124 HydrophobicContact CD2-CE1 3.57Å; Y74-F124 AromaticContact CE2-CD1 3.49Å; Y74-F124 HydrophobicContact CE2-CD1 3.49Å; Y74-F124 VanDerWaalsContact CE2-CD1 3.49Å; Y74-F124 AromaticContact CE2-CE1 3.79Å; Y74-F124 HydrophobicContact CE2-CE1 3.79Å; Y74-F124 HydrophobicContact CG-CE1 4.05Å; Y74-F124 AromaticContact CZ-CD1 3.93Å; L89-F124 HydrophobicContact CD1-CE2 3.75Å; L89-F124 HydrophobicContact CD1-CZ 3.81Å; N120-F124 PolarHBondContact O-N 2.8Å; N120-F124 VanDerWaalsContact O-N 3.11Å; F124-T126 PolarHBondContact O-N 3.43Å; F124-I127 HydrophobicContact CD2-CB 4.32Å; F124-I127 HydrophobicContact CD2-CG2 4.16Å; F124-I127 HydrophobicContact CE2-CG2 4.19Å; F124-I127 PolarHBondContact O-N 2.76Å; F124-L128 HydrophobicContact CE1-CB 4.35Å; F124-L128 HydrophobicContact CE1-CD1 4.34Å; F124-L128 VanDerWaalsContact O-CB 3.23Å; F124-L128 WeakPolarHBondContact O-CB 3.48Å; F124-L128 PolarHBondContact O-N 3.47Å; F124-W154 HydrophobicContact CD2-CD2 4.11Å; F124-W154 AromaticContact CD2-CE2 3.57Å; F124-W154 HydrophobicContact CD2-CE3 4.39Å; F124-W154 AromaticContact CD2-CH2 3.66Å; F124-W154 HydrophobicContact CD2-CH2 3.66Å; F124-W154 AromaticContact CD2-CZ2 3.33Å; F124-W154 HydrophobicContact CD2-CZ2 3.33Å; F124-W154 HydrophobicContact CD2-CZ3 4.2Å; F124-W154 HydrophobicContact CE2-CD2 4.21Å; F124-W154 HydrophobicContact CE2-CE3 4.06Å; F124-W154 AromaticContact CE2-CH2 3.59Å; F124-W154 HydrophobicContact CE2-CH2 3.59Å; F124-W154 AromaticContact CE2-CZ2 3.77Å; F124-W154 HydrophobicContact CE2-CZ2 3.77Å; F124-W154 AromaticContact CE2-CZ3 3.76Å; F124-W154 HydrophobicContact CE2-CZ3 3.76Å; F124-W154 HydrophobicContact CG-CZ2 4.21Å
125G87Confident85.7Confident26 Ų2632.6 Ų32.627%0.26820%0.195SC..Hα-helixtrans-56.3-32.7172.800000113.6P121 G122 A123 T129P121-G125 PolarHBondContact O-N 3.24Å; G122-G125 PolarHBondContact O-N 2.87Å; A123-G125 VanDerWaalsContact C-N 3.25Å; A123-G125 PolarHBondContact O-N 3.26Å; G125-T129 PolarHBondContact O-N 3.47Å; G125-T129 VanDerWaalsContact O-N 3.15Å; G125-T129 PolarHBondContact O-OG1 3.4Å
126T86.2Confident85.3Confident14 Ų1432.4 Ų32.49%0.08619%0.194CC..Hα-helixtrans-75.6-45.8176.3-60.50000111.8A123 F124 L128 T129 F130 L136 R137 L139 F147A123-T126 VanDerWaalsContact O-CB 3.26Å; A123-T126 WeakPolarHBondContact O-CB 3.25Å; A123-T126 PolarHBondContact O-N 3.08Å; F124-T126 PolarHBondContact O-N 3.43Å; T126-L128 VanDerWaalsContact C-N 3.27Å; T126-L128 PolarHBondContact O-N 2.96Å; T126-T129 WeakPolarHBondContact O-CA 3.26Å; T126-T129 WeakPolarHBondContact O-CB 3.25Å; T126-T129 PolarHBondContact O-N 3.09Å; T126-F130 PolarHBondContact O-N 2.7Å; T126-L136 HydrophobicContact CG2-CD1 4.12Å; T126-R137 WeakPolarHBondContact CG2-O 3.34Å; T126-L139 WeakPolarHBondContact OG1-CD1 3.48Å; T126-L139 WeakPolarHBondContact OG1-CG 3.41Å; T126-F147 HydrophobicContact CG2-CE2 4.12Å; T126-F147 HydrophobicContact CG2-CZ 4.05Å
127I88.4Confident84.8Confident1 Ų136.7 Ų36.71%0.00521%0.209CC..Hα-helixtrans-59.2-42.3175.2-71.8145.1000110.7A123 F124 T129 F130 L131 E150 W154 I156A123-I127 PolarHBondContact O-N 2.79Å; F124-I127 HydrophobicContact CD2-CB 4.32Å; F124-I127 HydrophobicContact CD2-CG2 4.16Å; F124-I127 HydrophobicContact CE2-CG2 4.19Å; F124-I127 PolarHBondContact O-N 2.76Å; I127-T129 VanDerWaalsContact C-N 3.3Å; I127-T129 PolarHBondContact O-N 3.2Å; I127-F130 CarbonylContact O-C 3.55Å; I127-F130 WeakPolarHBondContact O-CA 3.48Å; I127-F130 VanDerWaalsContact O-CB 3.31Å; I127-F130 WeakPolarHBondContact O-CB 3.43Å; I127-F130 PolarHBondContact O-N 2.92Å; I127-F130 VanDerWaalsContact O-N 3.09Å; I127-L131 HydrophobicContact CG2-CD1 4.29Å; I127-L131 WeakPolarHBondContact O-CG 3.12Å; I127-L131 PolarHBondContact O-N 2.89Å; I127-E150 HydrophobicContact CD1-CB 4.26Å; I127-W154 HydrophobicContact CD1-CG 3.86Å; I127-W154 HydrophobicContact CG2-CB 4.37Å; I127-W154 HydrophobicContact CG2-CG 4.23Å; I127-I156 HydrophobicContact CB-CD1 4.28Å; I127-I156 HydrophobicContact CG1-CD1 4.08Å; I127-I156 HydrophobicContact CG2-CD1 3.54Å
128L86.3Confident84.1Confident4 Ų438 Ų382%0.02122%0.216CC..Hα-helixtrans-63-36.6174.5-171.966.5000112.2A43 Y74 L76 F124 T126 F130 L131 R132A43-L128 HydrophobicContact CB-CD1 4.04Å; Y74-L128 HydrophobicContact CD1-CD2 3.19Å; Y74-L128 HydrophobicContact CE1-CD2 3.51Å; Y74-L128 HydrophobicContact CG-CD2 3.9Å; L76-L128 HydrophobicContact CD1-CD1 3.91Å; L76-L128 HydrophobicContact CD2-CD1 3.74Å; L76-L128 HydrophobicContact CG-CD1 4.12Å; F124-L128 HydrophobicContact CE1-CB 4.35Å; F124-L128 HydrophobicContact CE1-CD1 4.34Å; F124-L128 VanDerWaalsContact O-CB 3.23Å; F124-L128 WeakPolarHBondContact O-CB 3.48Å; F124-L128 PolarHBondContact O-N 3.47Å; T126-L128 VanDerWaalsContact C-N 3.27Å; T126-L128 PolarHBondContact O-N 2.96Å; L128-F130 VanDerWaalsContact C-N 3.32Å; L128-L131 PolarHBondContact O-N 3.43Å; L128-R132 WeakPolarHBondContact O-CB 3.42Å; L128-R132 WeakPolarHBondContact O-CG 3.19Å; L128-R132 PolarHBondContact O-N 3.28Å
129T82.4Confident83.3Confident72 Ų7235.9 Ų35.944%0.44220%0.204SC..Hα-helixtrans-66.4-37.3173.6-580000111.1G125 T126 I127 R132 A133G125-T129 PolarHBondContact O-N 3.47Å; G125-T129 VanDerWaalsContact O-N 3.15Å; G125-T129 PolarHBondContact O-OG1 3.4Å; T126-T129 WeakPolarHBondContact O-CA 3.26Å; T126-T129 WeakPolarHBondContact O-CB 3.25Å; T126-T129 PolarHBondContact O-N 3.09Å; I127-T129 VanDerWaalsContact C-N 3.3Å; I127-T129 PolarHBondContact O-N 3.2Å; T129-R132 PolarHBondContact O-N 3.43Å; T129-A133 WeakPolarHBondContact O-CB 3.36Å; T129-A133 PolarHBondContact O-N 3.32Å
130F84.5Confident82.1Confident3 Ų342.1 Ų42.11%0.01323%0.227CC..Hα-helixtrans-63.2-49.8171.9165.4-105.2000111.9F84 T126 I127 L128 R132 A133 G134 K135 L136 I156 H160F84-F130 HydrophobicContact CD1-CE1 4.06Å; F84-F130 HydrophobicContact CD1-CZ 4.03Å; F84-F130 AromaticContact CE1-CE1 3.93Å; F84-F130 HydrophobicContact CE1-CE1 3.93Å; F84-F130 HydrophobicContact CE1-CE2 4.25Å; F84-F130 AromaticContact CE1-CZ 3.59Å; F84-F130 HydrophobicContact CE1-CZ 3.59Å; F84-F130 HydrophobicContact CZ-CZ 4.34Å; T126-F130 PolarHBondContact O-N 2.7Å; I127-F130 CarbonylContact O-C 3.55Å; I127-F130 WeakPolarHBondContact O-CA 3.48Å; I127-F130 VanDerWaalsContact O-CB 3.31Å; I127-F130 WeakPolarHBondContact O-CB 3.43Å; I127-F130 PolarHBondContact O-N 2.92Å; I127-F130 VanDerWaalsContact O-N 3.09Å; L128-F130 VanDerWaalsContact C-N 3.32Å; F130-R132 PolarHBondContact O-N 3.18Å; F130-A133 PolarHBondContact O-N 3.48Å; F130-G134 VanDerWaalsContact O-CA 3.22Å; F130-G134 WeakPolarHBondContact O-CA 3.44Å; F130-G134 PolarHBondContact O-N 3.5Å; F130-K135 WeakPolarHBondContact CA-O 3.33Å; F130-L136 HydrophobicContact CB-CB 4.1Å; F130-L136 HydrophobicContact CB-CD1 3.64Å; F130-L136 HydrophobicContact CB-CG 4.48Å; F130-L136 HydrophobicContact CD2-CB 3.81Å; F130-L136 HydrophobicContact CG-CB 4.14Å; F130-L136 HydrophobicContact CG-CD1 4.09Å; F130-I156 HydrophobicContact CD1-CD1 3.79Å; F130-I156 HydrophobicContact CD1-CG1 4.3Å; F130-I156 HydrophobicContact CD1-CG2 4.13Å; F130-I156 HydrophobicContact CE1-CD1 4.04Å; F130-I156 HydrophobicContact CE1-CG1 4.04Å; F130-I156 HydrophobicContact CE1-CG2 3.78Å; F130-I156 HydrophobicContact CZ-CG2 4.17Å; F130-H160 HydrophobicContact CD2-CB 4.24Å; F130-H160 HydrophobicContact CE2-CB 3.54Å; F130-H160 AromaticContact CE2-CD2 3.7Å; F130-H160 AromaticContact CE2-CG 3.68Å; F130-H160 HydrophobicContact CZ-CB 3.98Å; F130-H160 AromaticContact CZ-CD2 3.71Å; F130-H160 AromaticContact CZ-CG 3.69Å
131L80.2Confident81.3Confident2 Ų247.4 Ų47.41%0.0125%0.25CS..Hα-helixtrans-60.1-31.3176.5-66.1172.4000112.3T80 F84 L89 I127 L128T80-L131 WeakPolarHBondContact CG2-O 3.2Å; F84-L131 HydrophobicContact CB-CD2 4.05Å; F84-L131 HydrophobicContact CD2-CD2 3.6Å; F84-L131 HydrophobicContact CE2-CD2 4.2Å; F84-L131 HydrophobicContact CG-CD2 3.84Å; L89-L131 HydrophobicContact CD1-CD1 3.71Å; I127-L131 HydrophobicContact CG2-CD1 4.29Å; I127-L131 WeakPolarHBondContact O-CG 3.12Å; I127-L131 PolarHBondContact O-N 2.89Å; L128-L131 PolarHBondContact O-N 3.43Å
132R75.9Confident80.9Confident54 Ų5447 Ų4720%0.20425%0.245CC..Hα-helixtrans-76.3-53.6175.4-73.6173.1-168.5178.64.5112.3F39 A43 L128 T129 F130F39-R132 WeakPolarHBondContact CB-O 3.23Å; F39-R132 WeakPolarHBondContact CD1-O 3.19Å; F39-R132 WeakPolarHBondContact CE1-O 3.29Å; F39-R132 VanDerWaalsContact CG-O 3.29Å; F39-R132 WeakPolarHBondContact CG-O 3.44Å; A43-R132 VanDerWaalsContact C-CZ 3.49Å; A43-R132 HydrophobicContact CB-CG 4.12Å; A43-R132 PolarHBondContact O-NE 2.91Å; A43-R132 PolarHBondContact O-NH1 3.01Å; A43-R132 PolarHBondContact O-NH2 2.73Å; L128-R132 WeakPolarHBondContact O-CB 3.42Å; L128-R132 WeakPolarHBondContact O-CG 3.19Å; L128-R132 PolarHBondContact O-N 3.28Å; T129-R132 PolarHBondContact O-N 3.43Å; F130-R132 PolarHBondContact O-N 3.18Å
133A72Confident80.7Confident26 Ų2648.7 Ų48.722%0.21525%0.25CC..Hα-helixtrans-109.3-3.5-162.900000114.3F39 T129 F130 K135F39-A133 HydrophobicContact CB-CB 4.4Å; F39-A133 HydrophobicContact CD2-CB 4.26Å; F39-A133 HydrophobicContact CG-CB 4.28Å; T129-A133 WeakPolarHBondContact O-CB 3.36Å; T129-A133 PolarHBondContact O-N 3.32Å; F130-A133 PolarHBondContact O-N 3.48Å; A133-K135 PolarHBondContact O-N 3.33Å
134G72.9Confident80.6Confident44 Ų4449.1 Ų49.145%0.45425%0.253SS..SBendtrans65.515.8-173.100000113.9F130F130-G134 VanDerWaalsContact O-CA 3.22Å; F130-G134 WeakPolarHBondContact O-CA 3.44Å; F130-G134 PolarHBondContact O-N 3.5Å
135K76.6Confident80.2Confident38 Ų3851.2 Ų51.217%0.16526%0.264CS..  trans-123.1117.1-178.8-65.1-167.8179.4-167.80110.5R32 F130 A133R32-K135 PolarHBondContact O-NZ 2.94Å; F130-K135 WeakPolarHBondContact CA-O 3.33Å; A133-K135 PolarHBondContact O-N 3.33Å
136L83.7Confident80.2Confident0 Ų051.9 Ų51.90%027%0.265CS..BIsolated β-bridgetrans-97.6129.4175.5-169.969.1000109.2T126 F130 F147 L151 I156 H160 L161 D162T126-L136 HydrophobicContact CG2-CD1 4.12Å; F130-L136 HydrophobicContact CB-CB 4.1Å; F130-L136 HydrophobicContact CB-CD1 3.64Å; F130-L136 HydrophobicContact CB-CG 4.48Å; F130-L136 HydrophobicContact CD2-CB 3.81Å; F130-L136 HydrophobicContact CG-CB 4.14Å; F130-L136 HydrophobicContact CG-CD1 4.09Å; L136-F147 HydrophobicContact CD1-CZ 4.09Å; L136-F147 HydrophobicContact CG-CZ 4.3Å; L136-L151 HydrophobicContact CD1-CD2 4.16Å; L136-L151 HydrophobicContact CD2-CD1 4.26Å; L136-L151 HydrophobicContact CD2-CD2 3.62Å; L136-L151 HydrophobicContact CG-CD2 4.45Å; L136-I156 HydrophobicContact CD2-CG2 3.98Å; L136-H160 HydrophobicContact CB-CB 4.3Å; L136-H160 WeakPolarHBondContact CB-O 3.29Å; L136-H160 HydrophobicContact CD2-CB 4.3Å; L136-L161 HydrophobicContact CB-CD2 4.39Å; L136-L161 HydrophobicContact CD2-CD2 3.98Å; L136-L161 HydrophobicContact CD2-CG 3.87Å; L136-L161 HydrophobicContact CG-CD2 3.9Å; L136-L161 HydrophobicContact CG-CG 4.3Å; L136-D162 PolarHBondContact O-N 3Å
137R83.2Confident80.3Confident148 Ų14851.2 Ų51.256%0.55826%0.261SS*.  trans-133146.1179.1-62-171.2-167.6167.710.7110.1T126 D162T126-R137 WeakPolarHBondContact CG2-O 3.34Å; R137-D162 IonicContact NE-OD2 3.27Å; R137-D162 PolarHBondContact NE-OD2 3.09Å
138L80.5Confident80.3Confident29 Ų2953.6 Ų53.615%0.15227%0.272CS..  trans-78.1130.1176.1-172.167.4000110.7F147 C165L138-F147 HydrophobicContact CD1-CB 3.99Å; L138-F147 HydrophobicContact CD1-CD1 3.27Å; L138-F147 HydrophobicContact CD1-CE1 3.78Å; L138-F147 HydrophobicContact CD1-CG 3.72Å; L138-C165 HydrophobicContact CB-CB 4.19Å; L138-C165 PolarHBondContact N-SG 2.87Å
139L76.2Confident80.4Confident73 Ų7359.1 Ų59.138%0.38230%0.297SS..  trans-69.4134.3169.4-93.5155.8000109.9G122 T126 E141 M142G122-L139 VanDerWaalsContact O-CD1 3.27Å; G122-L139 WeakPolarHBondContact O-CD1 3.49Å; T126-L139 WeakPolarHBondContact OG1-CD1 3.48Å; T126-L139 WeakPolarHBondContact OG1-CG 3.41Å; L139-E141 PolarHBondContact O-N 3.16Å; L139-M142 HydrophobicContact CB-CB 4.14Å; L139-M142 HydrophobicContact CB-CE 4.15Å; L139-M142 HydrophobicContact CD1-CE 4.21Å; L139-M142 PolarHBondContact O-N 2.86Å
140R68.4Low80.9Confident200 Ų20056 Ų5676%0.75528%0.278SS*.THydrogen-bonded Turntrans-61.9-30-173.4-160.1176.292.7169.96.5113.7
141E72.7Confident81.1Confident184 Ų18455.9 Ų55.986%0.8628%0.278SS*.THydrogen-bonded Turntrans-95.5-5.8-173.8-65.7173.9-176.400113.4L139L139-E141 PolarHBondContact O-N 3.16Å
142M78.6Confident81.7Confident28 Ų2861.8 Ų61.814%0.13831%0.309CS..SBendtrans-94.4134.3-178-174.9164.546.200111.1A123 L139 F147A123-M142 HydrophobicContact CB-CE 4.13Å; A123-M142 HydrophobicContact CB-SD 3.55Å; A123-M142 VanDerWaalsContact CB-SD 3.55Å; L139-M142 HydrophobicContact CB-CB 4.14Å; L139-M142 HydrophobicContact CB-CE 4.15Å; L139-M142 HydrophobicContact CD1-CE 4.21Å; L139-M142 PolarHBondContact O-N 2.86Å; M142-F147 HydrophobicContact CE-CB 3.83Å; M142-F147 HydrophobicContact CE-CD2 3.03Å; M142-F147 HydrophobicContact CE-CE2 3.63Å; M142-F147 HydrophobicContact CE-CG 3.63Å; M142-F147 HydrophobicContact CG-CB 4.24Å; M142-F147 HydrophobicContact SD-CB 4.1Å; M142-F147 HydrophobicContact SD-CD2 3.96Å; M142-F147 HydrophobicContact SD-CG 4.45Å
143C81.6Confident82.4Confident75 Ų7560.8 Ų60.851%0.50731%0.305SS..  trans-59.7136.7172.2179.90000110.6L145 S146 F147C143-L145 VanDerWaalsContact C-N 3.29Å; C143-L145 PolarHBondContact O-N 3.05Å; C143-S146 PolarHBondContact O-N 2.94Å; C143-F147 PolarHBondContact O-N 3.41Å
144A84.9Confident83.4Confident10 Ų1059.6 Ų59.68%0.08330%0.295CS..Hα-helixtrans-60.5-37.6-179.200000112.6F147 Q148 Y169 K172 I173A144-F147 PolarHBondContact O-N 2.79Å; A144-Q148 PolarHBondContact O-N 3.26Å; A144-Y169 HydrophobicContact CB-CD2 4.24Å; A144-K172 HydrophobicContact CB-CB 3.6Å; A144-K172 HydrophobicContact CB-CG 4.38Å; A144-I173 HydrophobicContact CB-CD1 4.45Å
145L82.8Confident84.2Confident45 Ų4559.3 Ų59.324%0.23629%0.292CS..Hα-helixtrans-67.5-47.4178.1-61.7167.7000111.9C143 F147 Q148 E149 I173 F176C143-L145 VanDerWaalsContact C-N 3.29Å; C143-L145 PolarHBondContact O-N 3.05Å; L145-F147 PolarHBondContact O-N 2.94Å; L145-Q148 VanDerWaalsContact O-CB 3.31Å; L145-Q148 WeakPolarHBondContact O-CB 3.38Å; L145-Q148 PolarHBondContact O-N 2.76Å; L145-E149 PolarHBondContact O-N 2.8Å; L145-I173 HydrophobicContact CD2-CD1 3.74Å; L145-F176 HydrophobicContact CD1-CB 4.44Å; L145-F176 HydrophobicContact CD1-CD1 3.88Å; L145-F176 HydrophobicContact CD1-CD2 3.54Å; L145-F176 HydrophobicContact CD1-CE1 3.91Å; L145-F176 HydrophobicContact CD1-CE2 3.59Å; L145-F176 HydrophobicContact CD1-CG 3.67Å; L145-F176 HydrophobicContact CD1-CZ 3.77Å; L145-F176 HydrophobicContact CD2-CB 4.26Å; L145-F176 HydrophobicContact CD2-CD1 3.5Å; L145-F176 HydrophobicContact CD2-CE1 3.92Å; L145-F176 HydrophobicContact CD2-CG 3.86Å; L145-F176 HydrophobicContact CG-CD1 4.3Å; L145-F176 HydrophobicContact CG-CG 4.27Å
146S85.4Confident84.8Confident40 Ų4058 Ų5828%0.2829%0.286SS..Hα-helixtrans-60.4-35.8175.1178.20000111.2C143 E150C143-S146 PolarHBondContact O-N 2.94Å; S146-E150 WeakPolarHBondContact O-CG 3.33Å; S146-E150 PolarHBondContact O-N 2.68Å
147F88.6Confident84.9Confident0 Ų060.5 Ų60.50%031%0.307CS..Hα-helixtrans-69.7-36.5174.3-171.1-123.6000113.2T126 L136 L138 M142 C143 A144 L145 E149 E150 L151 L161 Y169T126-F147 HydrophobicContact CG2-CE2 4.12Å; T126-F147 HydrophobicContact CG2-CZ 4.05Å; L136-F147 HydrophobicContact CD1-CZ 4.09Å; L136-F147 HydrophobicContact CG-CZ 4.3Å; L138-F147 HydrophobicContact CD1-CB 3.99Å; L138-F147 HydrophobicContact CD1-CD1 3.27Å; L138-F147 HydrophobicContact CD1-CE1 3.78Å; L138-F147 HydrophobicContact CD1-CG 3.72Å; M142-F147 HydrophobicContact CE-CB 3.83Å; M142-F147 HydrophobicContact CE-CD2 3.03Å; M142-F147 HydrophobicContact CE-CE2 3.63Å; M142-F147 HydrophobicContact CE-CG 3.63Å; M142-F147 HydrophobicContact CG-CB 4.24Å; M142-F147 HydrophobicContact SD-CB 4.1Å; M142-F147 HydrophobicContact SD-CD2 3.96Å; M142-F147 HydrophobicContact SD-CG 4.45Å; C143-F147 PolarHBondContact O-N 3.41Å; A144-F147 PolarHBondContact O-N 2.79Å; L145-F147 PolarHBondContact O-N 2.94Å; F147-E149 VanDerWaalsContact C-N 3.35Å; F147-E150 PolarHBondContact O-N 2.88Å; F147-L151 HydrophobicContact CD1-CD1 3.96Å; F147-L151 HydrophobicContact CD1-CG 4.22Å; F147-L151 HydrophobicContact CE1-CD1 3.69Å; F147-L151 HydrophobicContact CE1-CD2 4.15Å; F147-L151 HydrophobicContact CE1-CG 3.99Å; F147-L151 HydrophobicContact CE2-CD2 4.18Å; F147-L151 HydrophobicContact CE2-CG 4.38Å; F147-L151 HydrophobicContact CZ-CD1 4.25Å; F147-L151 HydrophobicContact CZ-CD2 3.84Å; F147-L151 HydrophobicContact CZ-CG 4.11Å; F147-L151 WeakPolarHBondContact O-CG 3.44Å; F147-L151 PolarHBondContact O-N 2.93Å; F147-L161 HydrophobicContact CE1-CD2 4.14Å; F147-Y169 HydrophobicContact CD1-CD2 4.37Å; F147-Y169 HydrophobicContact CD1-CE2 4.41Å
148Q88.9Confident85Confident51 Ų5156.2 Ų56.224%0.23829%0.293CS..Hα-helixtrans-58.8-47.1173.6-178.6170.646.800111.2A144 L145 E150 L151 L152 E158 Y169 I173A144-Q148 PolarHBondContact O-N 3.26Å; L145-Q148 VanDerWaalsContact O-CB 3.31Å; L145-Q148 WeakPolarHBondContact O-CB 3.38Å; L145-Q148 PolarHBondContact O-N 2.76Å; Q148-E150 VanDerWaalsContact C-N 3.27Å; Q148-E150 PolarHBondContact O-N 3.45Å; Q148-L151 PolarHBondContact O-N 3.1Å; Q148-L152 HydrophobicContact CG-CD1 4.06Å; Q148-L152 HydrophobicContact CG-CG 4.49Å; Q148-L152 WeakPolarHBondContact O-CB 3.38Å; Q148-L152 WeakPolarHBondContact O-CG 3.35Å; Q148-L152 PolarHBondContact O-N 2.83Å; Q148-E158 PolarHBondContact NE2-OE1 2.95Å; Q148-Y169 HydrophobicContact CB-CE2 4.09Å; Q148-Y169 WeakPolarHBondContact CB-OH 3.4Å; Q148-Y169 WeakPolarHBondContact CG-OH 3.33Å; Q148-Y169 PolarHBondContact NE2-OH 2.89Å; Q148-I173 HydrophobicContact CB-CD1 4.41Å
149E88.9Confident85.1Confident119 Ų11960.7 Ų60.756%0.55632%0.317SS*.Hα-helixtrans-58.2-40.7176.2-69.3175-179.500111.9L145 F147 Y153L145-E149 PolarHBondContact O-N 2.8Å; F147-E149 VanDerWaalsContact C-N 3.35Å; E149-Y153 VanDerWaalsContact O-CB 3.25Å; E149-Y153 WeakPolarHBondContact O-CB 3.23Å; E149-Y153 PolarHBondContact O-N 3.19Å
150E91.8Very high85.5Confident6 Ų661.4 Ų61.43%0.02832%0.319CS..Hα-helixtrans-65.3-47.6175-68.7-71.1142.200111.1R119 A123 I127 S146 F147 Q148 L152 Y153 W154R119-E150 IonicContact CZ-OE1 2.92Å; R119-E150 VanDerWaalsContact CZ-OE1 3.23Å; R119-E150 IonicContact NE-OE1 3.55Å; R119-E150 PolarHBondContact NE-OE1 3.36Å; R119-E150 IonicContact NE-OE2 3.81Å; R119-E150 IonicContact NH2-OE1 3.6Å; R119-E150 PolarHBondContact NH2-OE1 3.28Å; A123-E150 HydrophobicContact CB-CB 4.15Å; A123-E150 HydrophobicContact CB-CG 3.58Å; I127-E150 HydrophobicContact CD1-CB 4.26Å; S146-E150 WeakPolarHBondContact O-CG 3.33Å; S146-E150 PolarHBondContact O-N 2.68Å; F147-E150 PolarHBondContact O-N 2.88Å; Q148-E150 VanDerWaalsContact C-N 3.27Å; Q148-E150 PolarHBondContact O-N 3.45Å; E150-L152 VanDerWaalsContact C-N 3.3Å; E150-L152 PolarHBondContact O-N 3.38Å; E150-Y153 WeakPolarHBondContact O-CB 3.44Å; E150-Y153 PolarHBondContact O-N 3.17Å; E150-Y153 VanDerWaalsContact O-N 3.15Å; E150-W154 PolarHBondContact O-N 2.82Å; E150-W154 PolarHBondContact OE2-NE1 3.23Å
151L89.9Confident86.3Confident2 Ų252.3 Ų52.31%0.0129%0.285CS..Hα-helixtrans-58.2-42.6177.4-69.2-178.2000112.4L136 F147 Q148 G155 I156 E158L136-L151 HydrophobicContact CD1-CD2 4.16Å; L136-L151 HydrophobicContact CD2-CD1 4.26Å; L136-L151 HydrophobicContact CD2-CD2 3.62Å; L136-L151 HydrophobicContact CG-CD2 4.45Å; F147-L151 HydrophobicContact CD1-CD1 3.96Å; F147-L151 HydrophobicContact CD1-CG 4.22Å; F147-L151 HydrophobicContact CE1-CD1 3.69Å; F147-L151 HydrophobicContact CE1-CD2 4.15Å; F147-L151 HydrophobicContact CE1-CG 3.99Å; F147-L151 HydrophobicContact CE2-CD2 4.18Å; F147-L151 HydrophobicContact CE2-CG 4.38Å; F147-L151 HydrophobicContact CZ-CD1 4.25Å; F147-L151 HydrophobicContact CZ-CD2 3.84Å; F147-L151 HydrophobicContact CZ-CG 4.11Å; F147-L151 WeakPolarHBondContact O-CG 3.44Å; F147-L151 PolarHBondContact O-N 2.93Å; Q148-L151 PolarHBondContact O-N 3.1Å; L151-G155 PolarHBondContact O-N 3.42Å; L151-I156 HydrophobicContact CD2-CB 4.12Å; L151-I156 HydrophobicContact CD2-CG2 4.1Å; L151-I156 PolarHBondContact O-N 3.07Å; L151-E158 HydrophobicContact CD1-CG 4.38Å
152L91.3Very high86.8Confident126 Ų12645 Ų4566%0.6625%0.252SS*.Hα-helixtrans-63.2-46.7174.6-71.2170.9000111.4Q148 E150 W154 G155Q148-L152 HydrophobicContact CG-CD1 4.06Å; Q148-L152 HydrophobicContact CG-CG 4.49Å; Q148-L152 WeakPolarHBondContact O-CB 3.38Å; Q148-L152 WeakPolarHBondContact O-CG 3.35Å; Q148-L152 PolarHBondContact O-N 2.83Å; E150-L152 VanDerWaalsContact C-N 3.3Å; E150-L152 PolarHBondContact O-N 3.38Å; L152-W154 PolarHBondContact O-N 3.39Å; L152-G155 PolarHBondContact O-N 3.44Å
153Y92.4Very high86.9Confident32 Ų3246.4 Ų46.413%0.12527%0.273CS..Hα-helixtrans-58.2-48.1178.5-179-94.6000111.9R88 F117 R119 E149 E150 G155R88-Y153 PolarHBondContact NE-O 3.39Å; R88-Y153 PolarHBondContact NH1-OH 3.35Å; F117-Y153 HydrophobicContact CD1-CE1 4.18Å; R119-Y153 HydrophobicContact CG-CD1 4.02Å; R119-Y153 HydrophobicContact CG-CE1 3.53Å; R119-Y153 HydrophobicContact CG-CE2 4.42Å; E149-Y153 VanDerWaalsContact O-CB 3.25Å; E149-Y153 WeakPolarHBondContact O-CB 3.23Å; E149-Y153 PolarHBondContact O-N 3.19Å; E150-Y153 WeakPolarHBondContact O-CB 3.44Å; E150-Y153 PolarHBondContact O-N 3.17Å; E150-Y153 VanDerWaalsContact O-N 3.15Å; Y153-G155 VanDerWaalsContact C-N 3.25Å; Y153-G155 PolarHBondContact O-N 3.48Å
154W92.2Very high86.9Confident2 Ų247.7 Ų47.71%0.00828%0.282CS..Hα-helixtrans-79.8-5-178.7-62.7105000113.6V69 T87 R88 L89 F117 R119 F124 I127 E150 L152 I156V69-W154 HydrophobicContact CG1-CZ2 4.18Å; V69-W154 HydrophobicContact CG2-CH2 4Å; V69-W154 HydrophobicContact CG2-CZ2 4.29Å; T87-W154 WeakPolarHBondContact CA-O 3.23Å; T87-W154 WeakPolarHBondContact CB-O 3.44Å; R88-W154 PolarHBondContact N-O 3.49Å; L89-W154 HydrophobicContact CD1-CE3 4.34Å; L89-W154 HydrophobicContact CD1-CZ3 4.23Å; L89-W154 HydrophobicContact CD2-CE3 4.19Å; L89-W154 HydrophobicContact CD2-CZ3 3.61Å; L89-W154 HydrophobicContact CG-CE3 3.9Å; L89-W154 HydrophobicContact CG-CZ3 3.82Å; F117-W154 HydrophobicContact CB-CH2 3.87Å; F117-W154 HydrophobicContact CB-CZ2 4.48Å; F117-W154 AromaticContact CD1-CH2 3.76Å; F117-W154 HydrophobicContact CD1-CH2 3.76Å; F117-W154 AromaticContact CD1-CZ3 3.91Å; F117-W154 HydrophobicContact CD1-CZ3 3.91Å; F117-W154 HydrophobicContact CD2-CH2 4.03Å; F117-W154 HydrophobicContact CD2-CZ3 4.38Å; F117-W154 HydrophobicContact CE1-CH2 4.28Å; F117-W154 AromaticContact CE1-CZ3 3.97Å; F117-W154 HydrophobicContact CE1-CZ3 3.97Å; F117-W154 HydrophobicContact CE2-CZ3 4.45Å; F117-W154 AromaticContact CG-CH2 3.61Å; F117-W154 HydrophobicContact CG-CH2 3.61Å; F117-W154 HydrophobicContact CG-CZ3 4.12Å; F117-W154 HydrophobicContact CZ-CZ3 4.25Å; R119-W154 HydrophobicContact CB-CZ2 4.18Å; R119-W154 HydrophobicContact CG-CZ2 4.22Å; F124-W154 HydrophobicContact CD2-CD2 4.11Å; F124-W154 AromaticContact CD2-CE2 3.57Å; F124-W154 HydrophobicContact CD2-CE3 4.39Å; F124-W154 AromaticContact CD2-CH2 3.66Å; F124-W154 HydrophobicContact CD2-CH2 3.66Å; F124-W154 AromaticContact CD2-CZ2 3.33Å; F124-W154 HydrophobicContact CD2-CZ2 3.33Å; F124-W154 HydrophobicContact CD2-CZ3 4.2Å; F124-W154 HydrophobicContact CE2-CD2 4.21Å; F124-W154 HydrophobicContact CE2-CE3 4.06Å; F124-W154 AromaticContact CE2-CH2 3.59Å; F124-W154 HydrophobicContact CE2-CH2 3.59Å; F124-W154 AromaticContact CE2-CZ2 3.77Å; F124-W154 HydrophobicContact CE2-CZ2 3.77Å; F124-W154 AromaticContact CE2-CZ3 3.76Å; F124-W154 HydrophobicContact CE2-CZ3 3.76Å; F124-W154 HydrophobicContact CG-CZ2 4.21Å; I127-W154 HydrophobicContact CD1-CG 3.86Å; I127-W154 HydrophobicContact CG2-CB 4.37Å; I127-W154 HydrophobicContact CG2-CG 4.23Å; E150-W154 PolarHBondContact O-N 2.82Å; E150-W154 PolarHBondContact OE2-NE1 3.23Å; L152-W154 PolarHBondContact O-N 3.39Å; W154-I156 HydrophobicContact CB-CD1 4.03Å; W154-I156 HydrophobicContact CB-CG1 4.35Å
155G88.9Confident86.9Confident37 Ų3748 Ų4838%0.38128%0.283SS..THydrogen-bonded Turntrans70.137.3178.400000113.3L151 L152 Y153L151-G155 PolarHBondContact O-N 3.42Å; L152-G155 PolarHBondContact O-N 3.44Å; Y153-G155 VanDerWaalsContact C-N 3.25Å; Y153-G155 PolarHBondContact O-N 3.48Å
156I90.1Very high87Confident11 Ų1148.9 Ų48.96%0.05629%0.285CS..  trans-108.1119.2-178.7-63.4166.6000109.2T87 I127 F130 L136 L151 W154T87-I156 HydrophobicContact CG2-CG1 3.88Å; I127-I156 HydrophobicContact CB-CD1 4.28Å; I127-I156 HydrophobicContact CG1-CD1 4.08Å; I127-I156 HydrophobicContact CG2-CD1 3.54Å; F130-I156 HydrophobicContact CD1-CD1 3.79Å; F130-I156 HydrophobicContact CD1-CG1 4.3Å; F130-I156 HydrophobicContact CD1-CG2 4.13Å; F130-I156 HydrophobicContact CE1-CD1 4.04Å; F130-I156 HydrophobicContact CE1-CG1 4.04Å; F130-I156 HydrophobicContact CE1-CG2 3.78Å; F130-I156 HydrophobicContact CZ-CG2 4.17Å; L136-I156 HydrophobicContact CD2-CG2 3.98Å; L151-I156 HydrophobicContact CD2-CB 4.12Å; L151-I156 HydrophobicContact CD2-CG2 4.1Å; L151-I156 PolarHBondContact O-N 3.07Å; W154-I156 HydrophobicContact CB-CD1 4.03Å; W154-I156 HydrophobicContact CB-CG1 4.35Å
157A86.2Confident86.9Confident52 Ų5254.9 Ų54.943%0.4330%0.302SS..  trans-66.9140.9177.400000111.7D159 H160A157-D159 PolarHBondContact O-N 3.32Å; A157-D159 VanDerWaalsContact O-N 3.13Å; A157-H160 PolarHBondContact O-N 3.29Å; A157-H160 PolarHBondContact O-ND1 2.86Å
158E85.3Confident86.5Confident59 Ų5959.9 Ų59.928%0.27632%0.321SS..G310 helixtrans-61.6-21.2-179.5-55.7179.2166.600113Q148 L151 H160 L161 Y169Q148-E158 PolarHBondContact NE2-OE1 2.95Å; L151-E158 HydrophobicContact CD1-CG 4.38Å; E158-H160 PolarHBondContact O-N 2.76Å; E158-H160 VanDerWaalsContact O-N 3.12Å; E158-L161 WeakPolarHBondContact O-CB 3.27Å; E158-L161 PolarHBondContact O-N 3.36Å; E158-L161 VanDerWaalsContact O-N 3.08Å; E158-Y169 HydrophobicContact CB-CE1 4.43Å; E158-Y169 VanDerWaalsContact CD-CE1 3.47Å; E158-Y169 HydrophobicContact CG-CE1 4.08Å; E158-Y169 PolarHBondContact OE1-OH 3.04Å
159D83Confident86.3Confident122 Ų12257.5 Ų57.565%0.65231%0.31SS*.G310 helixtrans-62.5-16.8177.4-72.7-32.3000114.3A157 L161 K166A157-D159 PolarHBondContact O-N 3.32Å; A157-D159 VanDerWaalsContact O-N 3.13Å; D159-L161 PolarHBondContact O-N 3.26Å; D159-K166 IonicContact OD1-NZ 3.66Å; D159-K166 PolarHBondContact OD1-NZ 2.7Å
160H83.4Confident86Confident89 Ų8954.8 Ų54.841%0.41230%0.298SS..G310 helixtrans-78.2-7.3176.2-61.497.3000113.7F130 L136 A157 E158F130-H160 HydrophobicContact CD2-CB 4.24Å; F130-H160 HydrophobicContact CE2-CB 3.54Å; F130-H160 AromaticContact CE2-CD2 3.7Å; F130-H160 AromaticContact CE2-CG 3.68Å; F130-H160 HydrophobicContact CZ-CB 3.98Å; F130-H160 AromaticContact CZ-CD2 3.71Å; F130-H160 AromaticContact CZ-CG 3.69Å; L136-H160 HydrophobicContact CB-CB 4.3Å; L136-H160 WeakPolarHBondContact CB-O 3.29Å; L136-H160 HydrophobicContact CD2-CB 4.3Å; A157-H160 PolarHBondContact O-N 3.29Å; A157-H160 PolarHBondContact O-ND1 2.86Å; E158-H160 PolarHBondContact O-N 2.76Å; E158-H160 VanDerWaalsContact O-N 3.12Å
161L85.8Confident85.5Confident9 Ų958.4 Ų58.45%0.04732%0.315CS..BIsolated β-bridgetrans-67131.8176.6-78.7162.5000111.8L136 F147 E158 D159 C165 K166 Y169L136-L161 HydrophobicContact CB-CD2 4.39Å; L136-L161 HydrophobicContact CD2-CD2 3.98Å; L136-L161 HydrophobicContact CD2-CG 3.87Å; L136-L161 HydrophobicContact CG-CD2 3.9Å; L136-L161 HydrophobicContact CG-CG 4.3Å; F147-L161 HydrophobicContact CE1-CD2 4.14Å; E158-L161 WeakPolarHBondContact O-CB 3.27Å; E158-L161 PolarHBondContact O-N 3.36Å; E158-L161 VanDerWaalsContact O-N 3.08Å; D159-L161 PolarHBondContact O-N 3.26Å; L161-C165 HydrophobicContact CD2-CB 3.93Å; L161-K166 HydrophobicContact CB-CB 3.76Å; L161-K166 HydrophobicContact CB-CG 4.32Å; L161-Y169 HydrophobicContact CD1-CD1 3.93Å; L161-Y169 HydrophobicContact CD1-CG 3.96Å
162D83.4Confident85.1Confident31 Ų3162.8 Ų62.817%0.16633%0.334CS..  trans-55.2141.2168.4-89.4-39.1000109.8L136 R137 C164 C165 K166L136-D162 PolarHBondContact O-N 3Å; R137-D162 IonicContact NE-OD2 3.27Å; R137-D162 PolarHBondContact NE-OD2 3.09Å; D162-C164 VanDerWaalsContact C-N 3.3Å; D162-C164 PolarHBondContact O-N 3.49Å; D162-C165 CarbonylContact O-C 3.56Å; D162-C165 WeakPolarHBondContact O-CA 3.4Å; D162-C165 WeakPolarHBondContact O-CB 3.47Å; D162-C165 PolarHBondContact O-N 3.24Å; D162-K166 PolarHBondContact O-N 3.44Å
163G80.4Confident84.6Confident57 Ų5758.3 Ų58.359%0.58831%0.311SS*.Hα-helixtrans-53.1-36.6-167.600000116.2R167G163-R167 WeakPolarHBondContact O-CB 3.48Å; G163-R167 PolarHBondContact O-N 2.83Å
164C82.1Confident84Confident102 Ų10262.6 Ų62.669%0.68933%0.332SS*.Hα-helixtrans-68.6-36.717564.40000112.8D162 R168D162-C164 VanDerWaalsContact C-N 3.3Å; D162-C164 PolarHBondContact O-N 3.49Å; C164-R168 PolarHBondContact O-N 3.01Å
165C84.3Confident83Confident17 Ų1765.3 Ų65.312%0.11534%0.344CS..Hα-helixtrans-73.8-40.3176.8-62.90000110.4L138 L161 D162 R168 Y169L138-C165 HydrophobicContact CB-CB 4.19Å; L138-C165 PolarHBondContact N-SG 2.87Å; L161-C165 HydrophobicContact CD2-CB 3.93Å; D162-C165 CarbonylContact O-C 3.56Å; D162-C165 WeakPolarHBondContact O-CA 3.4Å; D162-C165 WeakPolarHBondContact O-CB 3.47Å; D162-C165 PolarHBondContact O-N 3.24Å; C165-R168 PolarHBondContact O-N 2.7Å; C165-Y169 WeakPolarHBondContact O-CB 3.36Å; C165-Y169 PolarHBondContact O-N 3.34Å
166K85.6Confident82.3Confident62 Ų6267.6 Ų67.627%0.2734%0.344SS..Hα-helixtrans-60.2-48.4175.8-168.1175-172.6175.60111.2D159 L161 D162 R168 Y169 L170D159-K166 IonicContact OD1-NZ 3.66Å; D159-K166 PolarHBondContact OD1-NZ 2.7Å; L161-K166 HydrophobicContact CB-CB 3.76Å; L161-K166 HydrophobicContact CB-CG 4.32Å; D162-K166 PolarHBondContact O-N 3.44Å; K166-R168 PolarHBondContact O-N 2.78Å; K166-Y169 PolarHBondContact O-N 2.75Å; K166-L170 HydrophobicContact CG-CD1 3.96Å; K166-L170 HydrophobicContact CG-CG 4.36Å; K166-L170 WeakPolarHBondContact O-CB 3.21Å; K166-L170 WeakPolarHBondContact O-CG 3.16Å; K166-L170 PolarHBondContact O-N 3.44Å
167R81.7Confident81.5Confident167 Ų16769.2 Ų69.263%0.6336%0.359SS*.Hα-helixtrans-59.7-47.5178-171.3-179.8-69.8-174.2-4.8111.9G163 Q171G163-R167 WeakPolarHBondContact O-CB 3.48Å; G163-R167 PolarHBondContact O-N 2.83Å; R167-Q171 VanDerWaalsContact O-CB 3.32Å; R167-Q171 WeakPolarHBondContact O-CB 3.3Å; R167-Q171 PolarHBondContact O-N 3.32Å
168R80.6Confident80.9Confident105 Ų10571.1 Ų71.140%0.39636%0.359SS..Hα-helixtrans-65-38.8178.5-177.1176.1173.3170.2-0.6112.6C164 C165 K166 K172C164-R168 PolarHBondContact O-N 3.01Å; C165-R168 PolarHBondContact O-N 2.7Å; K166-R168 PolarHBondContact O-N 2.78Å; R168-K172 WeakPolarHBondContact O-CG 3.48Å; R168-K172 PolarHBondContact O-N 2.87Å
169Y84.8Confident79.9Confident1 Ų171.9 Ų71.90%0.00436%0.363CS..Hα-helixtrans-64.5-54.4176.7170.6-97.1000110.9A144 F147 Q148 E158 L161 C165 K166 Q171 K172 I173A144-Y169 HydrophobicContact CB-CD2 4.24Å; F147-Y169 HydrophobicContact CD1-CD2 4.37Å; F147-Y169 HydrophobicContact CD1-CE2 4.41Å; Q148-Y169 HydrophobicContact CB-CE2 4.09Å; Q148-Y169 WeakPolarHBondContact CB-OH 3.4Å; Q148-Y169 WeakPolarHBondContact CG-OH 3.33Å; Q148-Y169 PolarHBondContact NE2-OH 2.89Å; E158-Y169 HydrophobicContact CB-CE1 4.43Å; E158-Y169 VanDerWaalsContact CD-CE1 3.47Å; E158-Y169 HydrophobicContact CG-CE1 4.08Å; E158-Y169 PolarHBondContact OE1-OH 3.04Å; L161-Y169 HydrophobicContact CD1-CD1 3.93Å; L161-Y169 HydrophobicContact CD1-CG 3.96Å; C165-Y169 WeakPolarHBondContact O-CB 3.36Å; C165-Y169 PolarHBondContact O-N 3.34Å; K166-Y169 PolarHBondContact O-N 2.75Å; Y169-Q171 PolarHBondContact O-N 3.38Å; Y169-K172 PolarHBondContact O-N 3.29Å; Y169-I173 HydrophobicContact CD1-CG1 4.35Å; Y169-I173 HydrophobicContact CD2-CG1 4.37Å; Y169-I173 HydrophobicContact CE1-CG1 3.96Å; Y169-I173 HydrophobicContact CE2-CD1 4.1Å; Y169-I173 HydrophobicContact CE2-CG1 4Å; Y169-I173 WeakPolarHBondContact O-CG1 3.32Å; Y169-I173 PolarHBondContact O-N 2.93Å
170L84.1Confident79.2Confident62 Ų6268 Ų6833%0.32534%0.344SS..Hα-helixtrans-58.9-44.9179.7-71.4174000111.9K166 K172 I173 E174K166-L170 HydrophobicContact CG-CD1 3.96Å; K166-L170 HydrophobicContact CG-CG 4.36Å; K166-L170 WeakPolarHBondContact O-CB 3.21Å; K166-L170 WeakPolarHBondContact O-CG 3.16Å; K166-L170 PolarHBondContact O-N 3.44Å; L170-K172 PolarHBondContact O-N 3.11Å; L170-I173 PolarHBondContact O-N 3.37Å; L170-I173 VanDerWaalsContact O-N 3.13Å; L170-E174 WeakPolarHBondContact O-CB 3.37Å; L170-E174 WeakPolarHBondContact O-CG 3.36Å; L170-E174 PolarHBondContact O-N 2.93Å
171Q80.9Confident78.5Confident81 Ų8169.3 Ų69.338%0.37935%0.35SS..Hα-helixtrans-55.7-41.7175.4-178-1773.200111.9R167 Y169 E175R167-Q171 VanDerWaalsContact O-CB 3.32Å; R167-Q171 WeakPolarHBondContact O-CB 3.3Å; R167-Q171 PolarHBondContact O-N 3.32Å; Y169-Q171 PolarHBondContact O-N 3.38Å; Q171-E175 PolarHBondContact NE2-OE1 2.95Å; Q171-E175 VanDerWaalsContact O-CB 3.31Å; Q171-E175 WeakPolarHBondContact O-CB 3.45Å; Q171-E175 WeakPolarHBondContact O-CG 3.44Å; Q171-E175 PolarHBondContact O-N 3.44Å
172K80.2Confident77.4Confident95 Ų9575.2 Ų75.241%0.41337%0.372SS..Hα-helixtrans-71.5-34.7179.3-76.2-74.1166.1-152.90113A144 R168 Y169 L170 E175 F176A144-K172 HydrophobicContact CB-CB 3.6Å; A144-K172 HydrophobicContact CB-CG 4.38Å; R168-K172 WeakPolarHBondContact O-CG 3.48Å; R168-K172 PolarHBondContact O-N 2.87Å; Y169-K172 PolarHBondContact O-N 3.29Å; L170-K172 PolarHBondContact O-N 3.11Å; K172-E175 WeakPolarHBondContact CE-OE2 3.17Å; K172-E175 IonicContact NZ-OE2 3.54Å; K172-E175 PolarHBondContact NZ-OE2 3.24Å; K172-F176 WeakPolarHBondContact O-CB 3.42Å; K172-F176 PolarHBondContact O-N 3.2Å; K172-F176 VanDerWaalsContact O-N 3.13Å
173I81.5Confident76.4Confident32 Ų3277.4 Ų77.416%0.16438%0.381CS..Hα-helixtrans-68.5-44.9174.3-63.6-60.1000110.3A144 L145 Q148 Y169 L170 F176 A177A144-I173 HydrophobicContact CB-CD1 4.45Å; L145-I173 HydrophobicContact CD2-CD1 3.74Å; Q148-I173 HydrophobicContact CB-CD1 4.41Å; Y169-I173 HydrophobicContact CD1-CG1 4.35Å; Y169-I173 HydrophobicContact CD2-CG1 4.37Å; Y169-I173 HydrophobicContact CE1-CG1 3.96Å; Y169-I173 HydrophobicContact CE2-CD1 4.1Å; Y169-I173 HydrophobicContact CE2-CG1 4Å; Y169-I173 WeakPolarHBondContact O-CG1 3.32Å; Y169-I173 PolarHBondContact O-N 2.93Å; L170-I173 PolarHBondContact O-N 3.37Å; L170-I173 VanDerWaalsContact O-N 3.13Å; I173-F176 PolarHBondContact O-N 3.14Å; I173-A177 WeakPolarHBondContact O-CB 3.27Å; I173-A177 PolarHBondContact O-N 3.27Å
174E79.1Confident75.6Confident121 Ų12180.2 Ų80.257%0.56538%0.379SS*.Hα-helixtrans-62.3-46.4175.6-73.3171-17400111.6L170 F176 A177 E178L170-E174 WeakPolarHBondContact O-CB 3.37Å; L170-E174 WeakPolarHBondContact O-CG 3.36Å; L170-E174 PolarHBondContact O-N 2.93Å; E174-F176 PolarHBondContact O-N 3.01Å; E174-A177 PolarHBondContact O-N 2.74Å; E174-E178 PolarHBondContact O-N 3.38Å
175E72.4Confident74.5Confident59 Ų5981.3 Ų81.328%0.27637%0.374SS..Hα-helixtrans-56.2-38.9174.4-80.2173-171.600111.7Q171 K172 M179Q171-E175 PolarHBondContact NE2-OE1 2.95Å; Q171-E175 VanDerWaalsContact O-CB 3.31Å; Q171-E175 WeakPolarHBondContact O-CB 3.45Å; Q171-E175 WeakPolarHBondContact O-CG 3.44Å; Q171-E175 PolarHBondContact O-N 3.44Å; K172-E175 WeakPolarHBondContact CE-OE2 3.17Å; K172-E175 IonicContact NZ-OE2 3.54Å; K172-E175 PolarHBondContact NZ-OE2 3.24Å; E175-M179 WeakPolarHBondContact O-CG 3.24Å; E175-M179 PolarHBondContact O-N 2.88Å; E175-M179 VanDerWaalsContact O-N 3.17Å
176F73.6Confident73.2Confident86 Ų8684.3 Ų84.338%0.37739%0.389SS..Hα-helixtrans-72.8-43.7176.6-178.9-102.3000112.3L145 K172 I173 E174 E178 M179 V180L145-F176 HydrophobicContact CD1-CB 4.44Å; L145-F176 HydrophobicContact CD1-CD1 3.88Å; L145-F176 HydrophobicContact CD1-CD2 3.54Å; L145-F176 HydrophobicContact CD1-CE1 3.91Å; L145-F176 HydrophobicContact CD1-CE2 3.59Å; L145-F176 HydrophobicContact CD1-CG 3.67Å; L145-F176 HydrophobicContact CD1-CZ 3.77Å; L145-F176 HydrophobicContact CD2-CB 4.26Å; L145-F176 HydrophobicContact CD2-CD1 3.5Å; L145-F176 HydrophobicContact CD2-CE1 3.92Å; L145-F176 HydrophobicContact CD2-CG 3.86Å; L145-F176 HydrophobicContact CG-CD1 4.3Å; L145-F176 HydrophobicContact CG-CG 4.27Å; K172-F176 WeakPolarHBondContact O-CB 3.42Å; K172-F176 PolarHBondContact O-N 3.2Å; K172-F176 VanDerWaalsContact O-N 3.13Å; I173-F176 PolarHBondContact O-N 3.14Å; E174-F176 PolarHBondContact O-N 3.01Å; F176-E178 VanDerWaalsContact C-N 3.33Å; F176-E178 PolarHBondContact O-N 2.95Å; F176-M179 HydrophobicContact CB-CE 4.44Å; F176-M179 HydrophobicContact CD2-CE 4.15Å; F176-M179 WeakPolarHBondContact O-CA 3.37Å; F176-M179 WeakPolarHBondContact O-CB 3.41Å; F176-M179 PolarHBondContact O-N 2.93Å; F176-V180 HydrophobicContact CD1-CG2 3.96Å; F176-V180 HydrophobicContact CE1-CG2 3.5Å; F176-V180 HydrophobicContact CE2-CG2 4.11Å; F176-V180 HydrophobicContact CG-CG2 4.46Å; F176-V180 HydrophobicContact CZ-CG2 3.59Å; F176-V180 WeakPolarHBondContact O-CG2 3.02Å; F176-V180 PolarHBondContact O-N 3.03Å
177A74Confident71.7Confident44 Ų4486 Ų8636%0.36440%0.401SS..Hα-helixtrans-58.6-44.9176.200000111.1I173 E174 M179 V180 E181I173-A177 WeakPolarHBondContact O-CB 3.27Å; I173-A177 PolarHBondContact O-N 3.27Å; E174-A177 PolarHBondContact O-N 2.74Å; A177-M179 VanDerWaalsContact C-N 3.3Å; A177-M179 PolarHBondContact O-N 2.85Å; A177-V180 PolarHBondContact O-N 2.54Å; A177-E181 WeakPolarHBondContact O-CB 3.17Å; A177-E181 WeakPolarHBondContact O-CG 3.2Å; A177-E181 PolarHBondContact O-N 3.1Å
178E71.9Confident70.4Confident93 Ų9381.8 Ų81.844%0.43539%0.394SS..Hα-helixtrans-61.9-36.4173.6-76.1-168.2-163.400112.8E174 F176 R182E174-E178 PolarHBondContact O-N 3.38Å; F176-E178 VanDerWaalsContact C-N 3.33Å; F176-E178 PolarHBondContact O-N 2.95Å; E178-R182 WeakPolarHBondContact O-CB 3.41Å; E178-R182 VanDerWaalsContact O-CG 3.28Å; E178-R182 WeakPolarHBondContact O-CG 3.35Å; E178-R182 PolarHBondContact O-N 2.98Å; E178-R182 IonicContact OE2-CZ 3.99Å; E178-R182 IonicContact OE2-NH1 2.96Å; E178-R182 PolarHBondContact OE2-NH1 3.44Å; E178-R182 IonicContact OE2-NH2 2.81Å; E178-R182 PolarHBondContact OE2-NH2 3.24Å
179M65.2Low69.1Low74 Ų7482 Ų8237%0.36540%0.402SS..Hα-helixtrans-65.7-44.1174.4-79.6-171.6-65.500110.8E175 F176 A177 R182 E183E175-M179 WeakPolarHBondContact O-CG 3.24Å; E175-M179 PolarHBondContact O-N 2.88Å; E175-M179 VanDerWaalsContact O-N 3.17Å; F176-M179 HydrophobicContact CB-CE 4.44Å; F176-M179 HydrophobicContact CD2-CE 4.15Å; F176-M179 WeakPolarHBondContact O-CA 3.37Å; F176-M179 WeakPolarHBondContact O-CB 3.41Å; F176-M179 PolarHBondContact O-N 2.93Å; A177-M179 VanDerWaalsContact C-N 3.3Å; A177-M179 PolarHBondContact O-N 2.85Å; M179-R182 PolarHBondContact O-N 3.37Å; M179-E183 WeakPolarHBondContact O-CB 3.46Å; M179-E183 VanDerWaalsContact O-CG 3.25Å; M179-E183 WeakPolarHBondContact O-CG 3.41Å; M179-E183 PolarHBondContact O-N 2.99Å
180V68.8Low67.6Low40 Ų4085.7 Ų85.724%0.24242%0.422CS..Hα-helixtrans-63.8-45.3177.11740000110.7F176 A177 R182 E183 E184F176-V180 HydrophobicContact CD1-CG2 3.96Å; F176-V180 HydrophobicContact CE1-CG2 3.5Å; F176-V180 HydrophobicContact CE2-CG2 4.11Å; F176-V180 HydrophobicContact CG-CG2 4.46Å; F176-V180 HydrophobicContact CZ-CG2 3.59Å; F176-V180 WeakPolarHBondContact O-CG2 3.02Å; F176-V180 PolarHBondContact O-N 3.03Å; A177-V180 PolarHBondContact O-N 2.54Å; V180-R182 VanDerWaalsContact C-N 3.34Å; V180-R182 PolarHBondContact O-N 3.34Å; V180-E183 CarbonylContact O-C 3.48Å; V180-E183 WeakPolarHBondContact O-CA 3.23Å; V180-E183 WeakPolarHBondContact O-CB 3.47Å; V180-E183 PolarHBondContact O-N 2.75Å; V180-E183 VanDerWaalsContact O-N 3.08Å; V180-E184 HydrophobicContact CG1-CG 4.25Å; V180-E184 WeakPolarHBondContact O-CB 3.14Å; V180-E184 WeakPolarHBondContact O-CG 3.45Å; V180-E184 PolarHBondContact O-N 3.09Å
181E68.7Low65.7Low118 Ų11885.2 Ų85.255%0.55142%0.424SS*.Hα-helixtrans-60-43.4175.8-74.7-178168.800111.5A177 E183 E184 E185A177-E181 WeakPolarHBondContact O-CB 3.17Å; A177-E181 WeakPolarHBondContact O-CG 3.2Å; A177-E181 PolarHBondContact O-N 3.1Å; E181-E183 VanDerWaalsContact C-N 3.32Å; E181-E183 PolarHBondContact O-N 2.84Å; E181-E184 PolarHBondContact O-N 2.99Å; E181-E185 WeakPolarHBondContact O-CB 3.36Å; E181-E185 VanDerWaalsContact O-CG 3.3Å; E181-E185 WeakPolarHBondContact O-CG 3.44Å; E181-E185 PolarHBondContact O-N 3.33Å
182R62.9Low63.9Low133 Ų13387.6 Ų87.650%0.50244%0.435SS..Hα-helixtrans-64.3-37.1173.5-75.3-179.5-173109.49.7112.3E178 M179 V180 D186E178-R182 WeakPolarHBondContact O-CB 3.41Å; E178-R182 VanDerWaalsContact O-CG 3.28Å; E178-R182 WeakPolarHBondContact O-CG 3.35Å; E178-R182 PolarHBondContact O-N 2.98Å; E178-R182 IonicContact OE2-CZ 3.99Å; E178-R182 IonicContact OE2-NH1 2.96Å; E178-R182 PolarHBondContact OE2-NH1 3.44Å; E178-R182 IonicContact OE2-NH2 2.81Å; E178-R182 PolarHBondContact OE2-NH2 3.24Å; M179-R182 PolarHBondContact O-N 3.37Å; V180-R182 VanDerWaalsContact C-N 3.34Å; V180-R182 PolarHBondContact O-N 3.34Å; R182-D186 VanDerWaalsContact O-CB 3.27Å; R182-D186 WeakPolarHBondContact O-CB 3.31Å; R182-D186 VanDerWaalsContact O-CG 3.26Å; R182-D186 PolarHBondContact O-N 2.83Å
183E61.5Low62.2Low76 Ų7684.1 Ų84.136%0.35543%0.426SS..Hα-helixtrans-67.9-38.9175.8-75.4-170.8153.700111.9M179 V180 E181 D186 D187 R480M179-E183 WeakPolarHBondContact O-CB 3.46Å; M179-E183 VanDerWaalsContact O-CG 3.25Å; M179-E183 WeakPolarHBondContact O-CG 3.41Å; M179-E183 PolarHBondContact O-N 2.99Å; V180-E183 CarbonylContact O-C 3.48Å; V180-E183 WeakPolarHBondContact O-CA 3.23Å; V180-E183 WeakPolarHBondContact O-CB 3.47Å; V180-E183 PolarHBondContact O-N 2.75Å; V180-E183 VanDerWaalsContact O-N 3.08Å; E181-E183 VanDerWaalsContact C-N 3.32Å; E181-E183 PolarHBondContact O-N 2.84Å; E183-D186 PolarHBondContact O-N 3.46Å; E183-D187 VanDerWaalsContact O-CB 3.25Å; E183-D187 WeakPolarHBondContact O-CB 3.29Å; E183-D187 PolarHBondContact O-N 2.93Å; E183-R480 IonicContact OE1-CZ 2.79Å; E183-R480 IonicContact OE1-NE 3.75Å; E183-R480 IonicContact OE1-NH2 3.23Å; E183-R480 PolarHBondContact OE1-NH2 3.1Å
184E63.1Low60.4Low117 Ų11788.7 Ų88.755%0.54744%0.441SS..Hα-helixtrans-68.5-42173.4-72.8179.7-179.700111.2V180 E181 D187 V188V180-E184 HydrophobicContact CG1-CG 4.25Å; V180-E184 WeakPolarHBondContact O-CB 3.14Å; V180-E184 WeakPolarHBondContact O-CG 3.45Å; V180-E184 PolarHBondContact O-N 3.09Å; E181-E184 PolarHBondContact O-N 2.99Å; E184-D187 PolarHBondContact O-N 3.22Å; E184-V188 VanDerWaalsContact O-CB 3.26Å; E184-V188 WeakPolarHBondContact O-CB 3.47Å; E184-V188 WeakPolarHBondContact O-CG2 3.37Å; E184-V188 PolarHBondContact O-N 3.48Å
185E60.2Low58.4Low124 Ų12490.1 Ų90.158%0.57945%0.453SS*.Hα-helixtrans-61.5-44.4172.6-76.8-178.4170.400111.2E181 V188 L189E181-E185 WeakPolarHBondContact O-CB 3.36Å; E181-E185 VanDerWaalsContact O-CG 3.3Å; E181-E185 WeakPolarHBondContact O-CG 3.44Å; E181-E185 PolarHBondContact O-N 3.33Å; E185-V188 PolarHBondContact O-N 3.22Å; E185-L189 VanDerWaalsContact O-CB 3.32Å; E185-L189 WeakPolarHBondContact O-CB 3.45Å; E185-L189 WeakPolarHBondContact O-CD1 3.31Å; E185-L189 WeakPolarHBondContact O-CG 3.49Å; E185-L189 PolarHBondContact O-N 2.9Å
186D55.6Low56.9Low80 Ų8092 Ų9243%0.42847%0.472SS..Hα-helixtrans-64.5-41.9175.4-80.7-19.9000111.5R182 E183 L189 D190R182-D186 VanDerWaalsContact O-CB 3.27Å; R182-D186 WeakPolarHBondContact O-CB 3.31Å; R182-D186 VanDerWaalsContact O-CG 3.26Å; R182-D186 PolarHBondContact O-N 2.83Å; E183-D186 PolarHBondContact O-N 3.46Å; D186-L189 PolarHBondContact O-N 2.95Å; D186-D190 WeakPolarHBondContact O-CB 3.34Å; D186-D190 PolarHBondContact O-N 3.25Å
187D55Low55.8Low97 Ų9791.2 Ų91.252%0.51947%0.47SS..Hα-helixtrans-69.2-35.4177.4-84.7-8.8000111.6E183 E184 S191E183-D187 VanDerWaalsContact O-CB 3.25Å; E183-D187 WeakPolarHBondContact O-CB 3.29Å; E183-D187 PolarHBondContact O-N 2.93Å; E184-D187 PolarHBondContact O-N 3.22Å; D187-S191 WeakPolarHBondContact O-CB 3.42Å; D187-S191 PolarHBondContact O-N 3.43Å
188V55.1Low54.1Low80 Ų8090.8 Ų90.849%0.48547%0.469SS..Hα-helixtrans-70-40.1172.7171.10000110.3E184 E185 S191 E192E184-V188 VanDerWaalsContact O-CB 3.26Å; E184-V188 WeakPolarHBondContact O-CB 3.47Å; E184-V188 WeakPolarHBondContact O-CG2 3.37Å; E184-V188 PolarHBondContact O-N 3.48Å; E185-V188 PolarHBondContact O-N 3.22Å; V188-S191 CarbonylContact O-C 3.59Å; V188-S191 PolarHBondContact O-N 2.96Å; V188-S191 VanDerWaalsContact O-N 3.08Å; V188-E192 HydrophobicContact CG1-CG 4.21Å; V188-E192 WeakPolarHBondContact O-CB 3.34Å; V188-E192 WeakPolarHBondContact O-CG 3.39Å; V188-E192 PolarHBondContact O-N 2.81Å
189L53.7Low52.6Low110 Ų11092.4 Ų92.458%0.57649%0.488SS*.Hα-helixtrans-65.5-39.7173.5-74.6166.5000111.8E185 D186 S191 G193E185-L189 VanDerWaalsContact O-CB 3.32Å; E185-L189 WeakPolarHBondContact O-CB 3.45Å; E185-L189 WeakPolarHBondContact O-CD1 3.31Å; E185-L189 WeakPolarHBondContact O-CG 3.49Å; E185-L189 PolarHBondContact O-N 2.9Å; D186-L189 PolarHBondContact O-N 2.95Å; L189-S191 VanDerWaalsContact C-N 3.28Å; L189-G193 PolarHBondContact O-N 3.35Å
190D51.2Low51.3Low77 Ų7792 Ų9241%0.41250%0.496SS..Hα-helixtrans-66.9-30.8170.6-105.45.5000110.6D186 G193 R194D186-D190 WeakPolarHBondContact O-CB 3.34Å; D186-D190 PolarHBondContact O-N 3.25Å; D190-G193 CarbonylContact O-C 3.42Å; D190-G193 WeakPolarHBondContact O-CA 3.31Å; D190-G193 PolarHBondContact O-N 3.49Å; D190-R194 WeakPolarHBondContact O-CG 3.25Å; D190-R194 PolarHBondContact O-N 2.87Å
191S44.5Very low49.9Very low52 Ų52100 Ų10036%0.36453%0.531SS..Hα-helixtrans-84.5-30.5179.5-159.90000114.7D187 V188 L189 R194 D195D187-S191 WeakPolarHBondContact O-CB 3.42Å; D187-S191 PolarHBondContact O-N 3.43Å; V188-S191 CarbonylContact O-C 3.59Å; V188-S191 PolarHBondContact O-N 2.96Å; V188-S191 VanDerWaalsContact O-N 3.08Å; L189-S191 VanDerWaalsContact C-N 3.28Å; S191-R194 VanDerWaalsContact C-N 3.31Å; S191-R194 CarbonylContact O-C 3.52Å; S191-R194 VanDerWaalsContact O-CA 3.23Å; S191-R194 WeakPolarHBondContact O-CA 3.45Å; S191-R194 WeakPolarHBondContact O-CB 3.34Å; S191-R194 PolarHBondContact O-N 3.28Å; S191-D195 PolarHBondContact O-N 3.03Å
192E44.8Very low48.8Very low132 Ų13298 Ų9862%0.61754%0.542SS*.Hα-helixtrans-71.1-28.7165.1-71.5-171.3140.300109.8V188V188-E192 HydrophobicContact CG1-CG 4.21Å; V188-E192 WeakPolarHBondContact O-CB 3.34Å; V188-E192 WeakPolarHBondContact O-CG 3.39Å; V188-E192 PolarHBondContact O-N 2.81Å
193G42.8Very low48.1Very low21 Ų2193.9 Ų93.922%0.21653%0.528CS..Hα-helixtrans-56.5-45.9156.600000112.2L189 D190 D195 S196 E197L189-G193 PolarHBondContact O-N 3.35Å; D190-G193 CarbonylContact O-C 3.42Å; D190-G193 WeakPolarHBondContact O-CA 3.31Å; D190-G193 PolarHBondContact O-N 3.49Å; G193-D195 PolarHBondContact O-N 3.18Å; G193-S196 CarbonylContact O-C 3.51Å; G193-S196 VanDerWaalsContact O-C 3.23Å; G193-S196 VanDerWaalsContact O-CA 3.3Å; G193-S196 WeakPolarHBondContact O-CA 3.25Å; G193-S196 WeakPolarHBondContact O-CB 3.39Å; G193-S196 PolarHBondContact O-N 3.24Å; G193-E197 VanDerWaalsContact O-CB 3.24Å; G193-E197 WeakPolarHBondContact O-CB 3.41Å; G193-E197 WeakPolarHBondContact O-CG 3.41Å; G193-E197 PolarHBondContact O-N 3.35Å
194R43.8Very low48.1Very low128 Ų12892.5 Ų92.548%0.48353%0.534SS..Hα-helixtrans-64-28.3176.4-70.9171-172.6-177.85.9116.6D190 S191 S196 E197 G198D190-R194 WeakPolarHBondContact O-CG 3.25Å; D190-R194 PolarHBondContact O-N 2.87Å; S191-R194 VanDerWaalsContact C-N 3.31Å; S191-R194 CarbonylContact O-C 3.52Å; S191-R194 VanDerWaalsContact O-CA 3.23Å; S191-R194 WeakPolarHBondContact O-CA 3.45Å; S191-R194 WeakPolarHBondContact O-CB 3.34Å; S191-R194 PolarHBondContact O-N 3.28Å; R194-S196 PolarHBondContact O-N 3.05Å; R194-E197 VanDerWaalsContact C-N 3.26Å; R194-E197 CarbonylContact O-C 3.46Å; R194-E197 VanDerWaalsContact O-C 3.31Å; R194-E197 WeakPolarHBondContact O-CA 3.49Å; R194-E197 PolarHBondContact O-N 2.83Å; R194-G198 PolarHBondContact O-N 2.73Å
195D38.7Very low48.5Very low152 Ų15297.6 Ų97.681%0.81355%0.549SS*.THydrogen-bonded Turntrans-70.9-10.1170-74.6-17.9000112.1S191 G193S191-D195 PolarHBondContact O-N 3.03Å; G193-D195 PolarHBondContact O-N 3.18Å
196S40.7Very low49Very low98 Ų9898.3 Ų98.369%0.68556%0.555SS**THydrogen-bonded Turntrans-107.8-0.8158.4-69.20000114.7G193 R194G193-S196 CarbonylContact O-C 3.51Å; G193-S196 VanDerWaalsContact O-C 3.23Å; G193-S196 VanDerWaalsContact O-CA 3.3Å; G193-S196 WeakPolarHBondContact O-CA 3.25Å; G193-S196 WeakPolarHBondContact O-CB 3.39Å; G193-S196 PolarHBondContact O-N 3.24Å; R194-S196 PolarHBondContact O-N 3.05Å
197E49.7Very low49.8Very low70 Ų7096 Ų9633%0.32755%0.551SS.*THydrogen-bonded Turntrans-130.621.8-171.1-63.2173.5150.800115.2G193 R194 R214G193-E197 VanDerWaalsContact O-CB 3.24Å; G193-E197 WeakPolarHBondContact O-CB 3.41Å; G193-E197 WeakPolarHBondContact O-CG 3.41Å; G193-E197 PolarHBondContact O-N 3.35Å; R194-E197 VanDerWaalsContact C-N 3.26Å; R194-E197 CarbonylContact O-C 3.46Å; R194-E197 VanDerWaalsContact O-C 3.31Å; R194-E197 WeakPolarHBondContact O-CA 3.49Å; R194-E197 PolarHBondContact O-N 2.83Å; E197-R214 IonicContact OE1-NH1 2.99Å
198G37.8Very low50.7Low34 Ų3497.1 Ų97.135%0.35155%0.548SS..SBendtrans-71.9156.1154.700000110.8R194 A200R194-G198 PolarHBondContact O-N 2.73Å; G198-A200 PolarHBondContact O-N 3.48Å
199P40.3Very low51.7Low128 Ų12897 Ų9783%0.83155%0.55SS*.  trans-68.879.3164.230.6-30000107.5E201P199-E201 PolarHBondContact O-N 3.43Å
200A38.5Very low52.9Low65 Ų6595 Ų9554%0.53754%0.538SS..  trans-64109.3167.100000106.1G198 G202 E203G198-A200 PolarHBondContact O-N 3.48Å; A200-G202 PolarHBondContact O-N 3.34Å; A200-E203 HydrophobicContact CB-CG 4.35Å; A200-E203 PolarHBondContact O-N 3.46Å; A200-E203 VanDerWaalsContact O-N 3.17Å
201E39.7Very low53.9Low209 Ų20994.3 Ų94.398%0.97753%0.53SS*.THydrogen-bonded Turntrans-50.589.4163-67-178.6143.400107.9P199P199-E201 PolarHBondContact O-N 3.43Å
202G45.9Very low55.4Low75 Ų75100.9 Ų100.977%0.77355%0.547SS*.THydrogen-bonded Turntrans140.47.7-171.700000117.6A200 G204A200-G202 PolarHBondContact O-N 3.34Å; G202-G204 PolarHBondContact O-N 2.96Å
203E47.8Very low57Low46 Ų4696.9 Ų96.922%0.21553%0.529CS..  trans-63.8111.7176-71.3-179.5153.300112.6A200 R208 R211A200-E203 HydrophobicContact CB-CG 4.35Å; A200-E203 PolarHBondContact O-N 3.46Å; A200-E203 VanDerWaalsContact O-N 3.17Å; E203-R208 VanDerWaalsContact O-CZ 3.24Å; E203-R208 PolarHBondContact O-NH1 2.83Å; E203-R208 VanDerWaalsContact O-NH1 3.14Å; E203-R208 PolarHBondContact O-NH2 2.87Å; E203-R211 IonicContact OE1-CZ 3.03Å; E203-R211 IonicContact OE1-NH1 2.76Å; E203-R211 PolarHBondContact OE1-NH1 2.85Å; E203-R211 IonicContact OE1-NH2 2.57Å; E203-R211 PolarHBondContact OE1-NH2 3.06Å; E203-R211 IonicContact OE2-CZ 3.41Å; E203-R211 IonicContact OE2-NH1 3.46Å; E203-R211 PolarHBondContact OE2-NH1 3.17Å; E203-R211 IonicContact OE2-NH2 2.64Å; E203-R211 PolarHBondContact OE2-NH2 3.44Å
204G61.8Low58.8Low47 Ų4799.6 Ų99.649%0.48553%0.533SS..  trans-56.9154.3169.800000111.6G202 L206 G207G202-G204 PolarHBondContact O-N 2.96Å; G204-L206 PolarHBondContact O-N 3.08Å; G204-G207 PolarHBondContact O-N 2.71Å
205R70.6Confident60.2Low225 Ų22596 Ų9685%0.84952%0.523SS*.Hα-helixtrans-50.6-28.1177.9-69.6-175.6-174.3-157.31.7113.1C209R205-C209 WeakPolarHBondContact O-CB 3.25Å; R205-C209 PolarHBondContact O-N 3.44Å; R205-C209 VanDerWaalsContact O-N 3.1Å
206L72Confident62.2Low138 Ų13891 Ų9172%0.72350%0.496SS*.Hα-helixtrans-66.9-41.6179.9-164.668.4000113.3G204 C209 M210G204-L206 PolarHBondContact O-N 3.08Å; L206-C209 WeakPolarHBondContact O-CB 3.35Å; L206-C209 PolarHBondContact O-N 2.95Å; L206-M210 WeakPolarHBondContact O-CB 3.09Å; L206-M210 WeakPolarHBondContact O-CG 3.5Å; L206-M210 PolarHBondContact O-N 3.46Å
207G72.4Confident64.1Low32 Ų3286.9 Ų86.933%0.3347%0.466SS..Hα-helixtrans-67.2-40.9179.900000112.7G204 C209 M210 R211G204-G207 PolarHBondContact O-N 2.71Å; G207-C209 PolarHBondContact O-N 3.37Å; G207-M210 PolarHBondContact O-N 3.08Å; G207-R211 PolarHBondContact O-N 3.36Å
208R73.5Confident65.3Low120 Ų12088.2 Ų88.245%0.45347%0.472SS..Hα-helixtrans-64-38.9172.2-73.7-171.8-76.3-94.8-6112.5E203 R212E203-R208 VanDerWaalsContact O-CZ 3.24Å; E203-R208 PolarHBondContact O-NH1 2.83Å; E203-R208 VanDerWaalsContact O-NH1 3.14Å; E203-R208 PolarHBondContact O-NH2 2.87Å; R208-R212 WeakPolarHBondContact O-CG 3.45Å; R208-R212 PolarHBondContact O-N 2.87Å; R208-R212 VanDerWaalsContact O-N 3.16Å
209C76.6Confident66.7Low78 Ų7890.2 Ų90.253%0.52747%0.469SS..Hα-helixtrans-65.1-46.4176.4-1690000111.4R205 L206 G207 R211 R212 L213R205-C209 WeakPolarHBondContact O-CB 3.25Å; R205-C209 PolarHBondContact O-N 3.44Å; R205-C209 VanDerWaalsContact O-N 3.1Å; L206-C209 WeakPolarHBondContact O-CB 3.35Å; L206-C209 PolarHBondContact O-N 2.95Å; G207-C209 PolarHBondContact O-N 3.37Å; C209-R211 PolarHBondContact O-N 2.85Å; C209-R212 PolarHBondContact O-N 2.84Å; C209-L213 WeakPolarHBondContact O-CB 3.49Å; C209-L213 PolarHBondContact O-N 3.47Å
210M77.3Confident68.1Low69 Ų6986.6 Ų86.634%0.3445%0.446SS..Hα-helixtrans-62-39.1178.8-77.2-72.6-8100112.6L206 G207 L213 R214 I288L206-M210 WeakPolarHBondContact O-CB 3.09Å; L206-M210 WeakPolarHBondContact O-CG 3.5Å; L206-M210 PolarHBondContact O-N 3.46Å; G207-M210 PolarHBondContact O-N 3.08Å; M210-L213 PolarHBondContact O-N 2.92Å; M210-L213 HydrophobicContact SD-CD2 4.42Å; M210-R214 WeakPolarHBondContact O-CB 3.43Å; M210-R214 PolarHBondContact O-N 2.89Å; M210-I288 HydrophobicContact CE-CG2 3.95Å
211R72.8Confident69.4Low61 Ų6190.6 Ų90.623%0.2345%0.453CS..Hα-helixtrans-64.9-46.7173.4-93.5178-68-165.8-8.1113E203 G207 C209 L213 R214 D215E203-R211 IonicContact OE1-CZ 3.03Å; E203-R211 IonicContact OE1-NH1 2.76Å; E203-R211 PolarHBondContact OE1-NH1 2.85Å; E203-R211 IonicContact OE1-NH2 2.57Å; E203-R211 PolarHBondContact OE1-NH2 3.06Å; E203-R211 IonicContact OE2-CZ 3.41Å; E203-R211 IonicContact OE2-NH1 3.46Å; E203-R211 PolarHBondContact OE2-NH1 3.17Å; E203-R211 IonicContact OE2-NH2 2.64Å; E203-R211 PolarHBondContact OE2-NH2 3.44Å; G207-R211 PolarHBondContact O-N 3.36Å; C209-R211 PolarHBondContact O-N 2.85Å; R211-L213 PolarHBondContact O-N 2.89Å; R211-R214 WeakPolarHBondContact O-CB 3.46Å; R211-R214 PolarHBondContact O-N 3.04Å; R211-R214 VanDerWaalsContact O-N 3.12Å; R211-D215 PolarHBondContact O-N 3.16Å
212R75.4Confident70.6Confident191 Ų19183.7 Ų83.772%0.72143%0.428SS*.Hα-helixtrans-59.4-37.3175.2-72.8-179.3-176.4176.40.7112.2R208 C209 M216R208-R212 WeakPolarHBondContact O-CG 3.45Å; R208-R212 PolarHBondContact O-N 2.87Å; R208-R212 VanDerWaalsContact O-N 3.16Å; C209-R212 PolarHBondContact O-N 2.84Å; R212-M216 WeakPolarHBondContact O-CB 3.39Å; R212-M216 PolarHBondContact O-N 3.18Å
213L79Confident72.2Confident47 Ų4781.3 Ų81.325%0.24640%0.404CS..Hα-helixtrans-68.3-40.5176.5-168.674000111.7C209 M210 R211 M216 V217 L285 Q289C209-L213 WeakPolarHBondContact O-CB 3.49Å; C209-L213 PolarHBondContact O-N 3.47Å; M210-L213 PolarHBondContact O-N 2.92Å; M210-L213 HydrophobicContact SD-CD2 4.42Å; R211-L213 PolarHBondContact O-N 2.89Å; L213-M216 HydrophobicContact CD1-CE 3.79Å; L213-M216 PolarHBondContact O-N 3.45Å; L213-V217 WeakPolarHBondContact O-CB 3.45Å; L213-V217 VanDerWaalsContact O-CG2 3.31Å; L213-V217 WeakPolarHBondContact O-CG2 3.3Å; L213-V217 PolarHBondContact O-N 3.15Å; L213-L285 HydrophobicContact CD1-CD2 4.28Å; L213-L285 HydrophobicContact CD2-CD2 3.95Å; L213-L285 HydrophobicContact CG-CD2 4.43Å; L213-Q289 PolarHBondContact O-NE2 3.33Å
214R80.1Confident73.9Confident78 Ų7885.8 Ų85.829%0.29443%0.428SS..Hα-helixtrans-61.4-49173.9-174.1-176-67.6161-4.8111.7E197 M210 R211 M216 V217 E218E197-R214 IonicContact OE1-NH1 2.99Å; M210-R214 WeakPolarHBondContact O-CB 3.43Å; M210-R214 PolarHBondContact O-N 2.89Å; R211-R214 WeakPolarHBondContact O-CB 3.46Å; R211-R214 PolarHBondContact O-N 3.04Å; R211-R214 VanDerWaalsContact O-N 3.12Å; R214-M216 PolarHBondContact O-N 3.39Å; R214-V217 PolarHBondContact O-N 2.92Å; R214-E218 WeakPolarHBondContact CG-OE2 3.28Å; R214-E218 PolarHBondContact O-N 3.39Å
215D73.3Confident75Confident52 Ų5287.2 Ų87.228%0.27843%0.429SS..Hα-helixtrans-61.3-32.8176.9-73.3-36000112.4R211 R219 S222R211-D215 PolarHBondContact O-N 3.16Å; D215-R219 CarbonylContact O-C 3.31Å; D215-R219 WeakPolarHBondContact O-CB 3.5Å; D215-R219 PolarHBondContact O-N 2.92Å; D215-R219 WeakPolarHBondContact OD1-CD 3.41Å; D215-R219 IonicContact OD1-CZ 3.91Å; D215-R219 IonicContact OD1-NE 2.78Å; D215-R219 IonicContact OD1-NH1 3.53Å; D215-R219 PolarHBondContact OD1-NH1 3.32Å; D215-S222 PolarHBondContact O-OG 3.05Å
216M81.5Confident75.7Confident49 Ų4976.5 Ų76.524%0.24139%0.388CS..Hα-helixtrans-72-40.3176.2-175.3-175.778.600112.8R212 L213 R214 P225 G226 F229R212-M216 WeakPolarHBondContact O-CB 3.39Å; R212-M216 PolarHBondContact O-N 3.18Å; L213-M216 HydrophobicContact CD1-CE 3.79Å; L213-M216 PolarHBondContact O-N 3.45Å; R214-M216 PolarHBondContact O-N 3.39Å; M216-P225 HydrophobicContact CG-CB 4.14Å; M216-P225 HydrophobicContact SD-CB 4.22Å; M216-G226 WeakPolarHBondContact O-CA 3.3Å; M216-F229 HydrophobicContact CE-CD2 4.08Å; M216-F229 HydrophobicContact CE-CE2 4.43Å; M216-F229 HydrophobicContact CG-CB 4.08Å; M216-F229 HydrophobicContact CG-CG 4.43Å
217V81.1Confident76.4Confident10 Ų1075.9 Ų75.96%0.06138%0.38CS..Hα-helixtrans-89-39-170.1172.70000112.9L213 R214 F229 L285 R286L213-V217 WeakPolarHBondContact O-CB 3.45Å; L213-V217 VanDerWaalsContact O-CG2 3.31Å; L213-V217 WeakPolarHBondContact O-CG2 3.3Å; L213-V217 PolarHBondContact O-N 3.15Å; R214-V217 PolarHBondContact O-N 2.92Å; V217-F229 HydrophobicContact CB-CE1 4.35Å; V217-F229 HydrophobicContact CG1-CE1 4.2Å; V217-F229 HydrophobicContact CG1-CZ 4.38Å; V217-F229 HydrophobicContact CG2-CE1 4.2Å; V217-F229 HydrophobicContact CG2-CE2 4.41Å; V217-F229 HydrophobicContact CG2-CZ 4.01Å; V217-L285 HydrophobicContact CG2-CB 4.27Å; V217-L285 HydrophobicContact CG2-CD1 4.19Å; V217-R286 HydrophobicContact CG1-CG 3.54Å
218E73.8Confident77.2Confident98 Ų9878 Ų7846%0.45839%0.386SS..Hα-helixtrans-93.7-26.3-176.9-67.8-178.4164.700112.8R214 P220R214-E218 WeakPolarHBondContact CG-OE2 3.28Å; R214-E218 PolarHBondContact O-N 3.39Å; E218-P220 WeakPolarHBondContact O-CD 3.44Å
219R67.7Low78Confident77 Ų7773 Ų7329%0.29137%0.368SS..  trans-119.388.3-171.6-59.8175.1-175.7172-7.5111.3D215 H221 S222D215-R219 CarbonylContact O-C 3.31Å; D215-R219 WeakPolarHBondContact O-CB 3.5Å; D215-R219 PolarHBondContact O-N 2.92Å; D215-R219 WeakPolarHBondContact OD1-CD 3.41Å; D215-R219 IonicContact OD1-CZ 3.91Å; D215-R219 IonicContact OD1-NE 2.78Å; D215-R219 IonicContact OD1-NH1 3.53Å; D215-R219 PolarHBondContact OD1-NH1 3.32Å; R219-H221 PolarHBondContact O-N 3.34Å; R219-S222 WeakPolarHBondContact O-CB 3.2Å; R219-S222 PolarHBondContact O-N 3.2Å; R219-S222 VanDerWaalsContact O-N 3.09Å; R219-S222 PolarHBondContact O-OG 3.43Å
220P69.9Low78.5Confident52 Ų5270.3 Ų70.334%0.33835%0.351SS..THydrogen-bonded Turntrans-60-20.7-178.922.6-32.8000113.9E218 G226 K227 A230E218-P220 WeakPolarHBondContact O-CD 3.44Å; P220-G226 CarbonylContact O-C 3.53Å; P220-K227 WeakPolarHBondContact O-CG 3.46Å; P220-K227 PolarHBondContact O-N 3.14Å; P220-A230 HydrophobicContact CB-CB 3.7Å
221H64.7Low79.1Confident149 Ų14971.1 Ų71.169%0.6936%0.362SS*.THydrogen-bonded Turntrans-96.9-2.2-178.8-57.6-67.6000114.6R219 G223R219-H221 PolarHBondContact O-N 3.34Å; H221-G223 VanDerWaalsContact C-N 3.29Å; H221-G223 PolarHBondContact O-N 2.98Å
222S66.4Low79.9Confident63 Ų6371.1 Ų71.144%0.44137%0.367SS..SBendtrans-66.4-26.8-175.662.60000113.8D215 R219D215-S222 PolarHBondContact O-OG 3.05Å; R219-S222 WeakPolarHBondContact O-CB 3.2Å; R219-S222 PolarHBondContact O-N 3.2Å; R219-S222 VanDerWaalsContact O-N 3.09Å; R219-S222 PolarHBondContact O-OG 3.43Å
223G79Confident80.6Confident26 Ų2662 Ų6227%0.26833%0.333SS..SBendtrans176.7-176.7179.600000113.6H221 P225 G226 K227H221-G223 VanDerWaalsContact C-N 3.29Å; H221-G223 PolarHBondContact O-N 2.98Å; G223-P225 VanDerWaalsContact C-CD 3.48Å; G223-G226 PolarHBondContact O-N 2.8Å; G223-K227 WeakPolarHBondContact O-CG 3.2Å; G223-K227 PolarHBondContact O-N 3.48Å; G223-K227 VanDerWaalsContact O-N 3.09Å
224L82.9Confident81.1Confident140 Ų14062.4 Ų62.473%0.73334%0.337SS*.Hα-helixtrans-51-47.7174.2-166.685.5000113.5G226 K227 V228L224-G226 PolarHBondContact O-N 3.19Å; L224-K227 PolarHBondContact O-N 3.33Å; L224-V228 HydrophobicContact CG-CG2 4.49Å; L224-V228 WeakPolarHBondContact O-CG2 3.48Å; L224-V228 PolarHBondContact O-N 3Å
225P85.5Confident81.7Confident76 Ų7662.9 Ų62.949%0.49435%0.345SS..Hα-helixtrans-65.4-37.1-178.125.2-34.7000112.9M216 G223 V228 F229M216-P225 HydrophobicContact CG-CB 4.14Å; M216-P225 HydrophobicContact SD-CB 4.22Å; G223-P225 VanDerWaalsContact C-CD 3.48Å; P225-V228 PolarHBondContact O-N 3.49Å; P225-F229 WeakPolarHBondContact O-CB 3.4Å; P225-F229 PolarHBondContact O-N 3.02Å
226G85.3Confident82.6Confident0 Ų062.4 Ų62.40%034%0.34CS..Hα-helixtrans-65.9-40.4175.100000112.5M216 P220 G223 L224 F229 A230M216-G226 WeakPolarHBondContact O-CA 3.3Å; P220-G226 CarbonylContact O-C 3.53Å; G223-G226 PolarHBondContact O-N 2.8Å; L224-G226 PolarHBondContact O-N 3.19Å; G226-F229 PolarHBondContact O-N 2.87Å; G226-A230 WeakPolarHBondContact O-CB 3.28Å; G226-A230 PolarHBondContact O-N 3.13Å
227K86.7Confident83.1Confident126 Ų12660.4 Ų60.455%0.54833%0.331SS..Hα-helixtrans-62.9-44.1174.6-70179-177.2179.60111.9P220 G223 L224 C231P220-K227 WeakPolarHBondContact O-CG 3.46Å; P220-K227 PolarHBondContact O-N 3.14Å; G223-K227 WeakPolarHBondContact O-CG 3.2Å; G223-K227 PolarHBondContact O-N 3.48Å; G223-K227 VanDerWaalsContact O-N 3.09Å; L224-K227 PolarHBondContact O-N 3.33Å; K227-C231 VanDerWaalsContact O-CB 3.27Å; K227-C231 WeakPolarHBondContact O-CB 3.32Å; K227-C231 PolarHBondContact O-N 2.83Å
228V89.6Confident83.5Confident76 Ų7663.3 Ų63.346%0.46135%0.348SS..Hα-helixtrans-63.5-46.3176.9171.90000110.4L224 P225 A230 C231 L232L224-V228 HydrophobicContact CG-CG2 4.49Å; L224-V228 WeakPolarHBondContact O-CG2 3.48Å; L224-V228 PolarHBondContact O-N 3Å; P225-V228 PolarHBondContact O-N 3.49Å; V228-A230 PolarHBondContact O-N 3.45Å; V228-C231 PolarHBondContact O-N 3.24Å; V228-L232 HydrophobicContact CG1-CD1 4.06Å; V228-L232 HydrophobicContact CG1-CG 4.39Å; V228-L232 WeakPolarHBondContact O-CG 3.43Å; V228-L232 PolarHBondContact O-N 3.1Å
229F90Very high84.4Confident15 Ų1561.2 Ų61.27%0.06634%0.342CS..Hα-helixtrans-58.6-48.5177.8-174.9-96.2000111.6M216 V217 P225 G226 C231 L232 S233 W278 E282 L285M216-F229 HydrophobicContact CE-CD2 4.08Å; M216-F229 HydrophobicContact CE-CE2 4.43Å; M216-F229 HydrophobicContact CG-CB 4.08Å; M216-F229 HydrophobicContact CG-CG 4.43Å; V217-F229 HydrophobicContact CB-CE1 4.35Å; V217-F229 HydrophobicContact CG1-CE1 4.2Å; V217-F229 HydrophobicContact CG1-CZ 4.38Å; V217-F229 HydrophobicContact CG2-CE1 4.2Å; V217-F229 HydrophobicContact CG2-CE2 4.41Å; V217-F229 HydrophobicContact CG2-CZ 4.01Å; P225-F229 WeakPolarHBondContact O-CB 3.4Å; P225-F229 PolarHBondContact O-N 3.02Å; G226-F229 PolarHBondContact O-N 2.87Å; F229-C231 PolarHBondContact O-N 3.28Å; F229-L232 PolarHBondContact O-N 2.9Å; F229-S233 PolarHBondContact O-N 3.48Å; F229-S233 PolarHBondContact O-OG 3.19Å; F229-W278 HydrophobicContact CD2-CH2 4.08Å; F229-W278 HydrophobicContact CD2-CZ2 4.04Å; F229-W278 HydrophobicContact CE2-CH2 4.06Å; F229-W278 AromaticContact CE2-CZ2 3.9Å; F229-W278 HydrophobicContact CE2-CZ2 3.9Å; F229-E282 HydrophobicContact CE2-CG 4.47Å; F229-E282 HydrophobicContact CZ-CB 4.48Å; F229-E282 HydrophobicContact CZ-CG 3.8Å; F229-L285 HydrophobicContact CE2-CD1 4.35Å
230A86.7Confident85.5Confident21 Ų2158 Ų5817%0.17433%0.331CS..Hα-helixtrans-64-38.2177.500000113.2P220 G226 V228 S233 V234P220-A230 HydrophobicContact CB-CB 3.7Å; G226-A230 WeakPolarHBondContact O-CB 3.28Å; G226-A230 PolarHBondContact O-N 3.13Å; V228-A230 PolarHBondContact O-N 3.45Å; A230-S233 PolarHBondContact O-N 3.19Å; A230-V234 WeakPolarHBondContact O-CG2 3.4Å; A230-V234 PolarHBondContact O-N 2.91Å; A230-V234 VanDerWaalsContact O-N 3.1Å
231C88.8Confident86.4Confident86 Ų8657 Ų5758%0.58133%0.328SS*.Hα-helixtrans-63.4-43.7174.4-1770000111.4K227 V228 F229 V234 L235K227-C231 VanDerWaalsContact O-CB 3.27Å; K227-C231 WeakPolarHBondContact O-CB 3.32Å; K227-C231 PolarHBondContact O-N 2.83Å; V228-C231 PolarHBondContact O-N 3.24Å; F229-C231 PolarHBondContact O-N 3.28Å; C231-V234 PolarHBondContact O-N 3.46Å; C231-L235 WeakPolarHBondContact O-CB 3.36Å; C231-L235 PolarHBondContact O-N 3.16Å
232L91.1Very high87.7Confident61 Ų6154.3 Ų54.332%0.31932%0.321SS..Hα-helixtrans-62.4-43.9174.2-72174.7000111.5V228 F229 V234 L235 F236 W278V228-L232 HydrophobicContact CG1-CD1 4.06Å; V228-L232 HydrophobicContact CG1-CG 4.39Å; V228-L232 WeakPolarHBondContact O-CG 3.43Å; V228-L232 PolarHBondContact O-N 3.1Å; F229-L232 PolarHBondContact O-N 2.9Å; L232-V234 VanDerWaalsContact C-N 3.32Å; L232-V234 PolarHBondContact O-N 3.37Å; L232-L235 HydrophobicContact CD2-CD2 4.34Å; L232-L235 WeakPolarHBondContact O-CB 3.47Å; L232-L235 PolarHBondContact O-N 3.28Å; L232-L235 VanDerWaalsContact O-N 3.16Å; L232-F236 HydrophobicContact CB-CD2 4.49Å; L232-F236 VanDerWaalsContact O-CD2 3.23Å; L232-F236 WeakPolarHBondContact O-CD2 3.38Å; L232-F236 PolarHBondContact O-N 2.92Å; L232-W278 HydrophobicContact CB-CH2 4.22Å; L232-W278 HydrophobicContact CB-CZ2 3.8Å; L232-W278 HydrophobicContact CD1-CH2 3.92Å; L232-W278 HydrophobicContact CD1-CZ2 4.35Å
233S89.6Confident88.7Confident1 Ų152.2 Ų52.21%0.00731%0.305CS..Hα-helixtrans-55-47.2175.7-57.70000112F229 A230 F236 V237 E282 H359F229-S233 PolarHBondContact O-N 3.48Å; F229-S233 PolarHBondContact O-OG 3.19Å; A230-S233 PolarHBondContact O-N 3.19Å; S233-F236 PolarHBondContact O-N 3.29Å; S233-V237 WeakPolarHBondContact O-CG2 3.49Å; S233-V237 PolarHBondContact O-N 2.93Å; S233-V237 VanDerWaalsContact O-N 3.09Å; S233-E282 WeakPolarHBondContact CA-OE1 3.33Å; S233-E282 WeakPolarHBondContact CB-OE1 3.44Å; S233-E282 PolarHBondContact OG-OE1 2.92Å; S233-H359 VanDerWaalsContact CB-CE1 3.41Å; S233-H359 WeakPolarHBondContact CB-CE1 3.44Å; S233-H359 WeakPolarHBondContact CB-NE2 3.3Å
234V89.7Confident89.1Confident54 Ų5452.8 Ų52.833%0.32730%0.302SS..Hα-helixtrans-65.5-41.7177.4174.30000111.2A230 C231 L232 V237 T238 H359A230-V234 WeakPolarHBondContact O-CG2 3.4Å; A230-V234 PolarHBondContact O-N 2.91Å; A230-V234 VanDerWaalsContact O-N 3.1Å; C231-V234 PolarHBondContact O-N 3.46Å; L232-V234 VanDerWaalsContact C-N 3.32Å; L232-V234 PolarHBondContact O-N 3.37Å; V234-V237 PolarHBondContact O-N 2.92Å; V234-T238 WeakPolarHBondContact O-CG2 3.34Å; V234-T238 PolarHBondContact O-N 3.43Å; V234-T238 PolarHBondContact O-OG1 3.11Å; V234-H359 HydrophobicContact CG2-CB 3.96Å
235L92.4Very high89.4Confident89 Ų8949.8 Ų49.847%0.46629%0.292SS..Hα-helixtrans-60.7-45176.5178.766.7000112.1C231 L232 V237 T238 V239C231-L235 WeakPolarHBondContact O-CB 3.36Å; C231-L235 PolarHBondContact O-N 3.16Å; L232-L235 HydrophobicContact CD2-CD2 4.34Å; L232-L235 WeakPolarHBondContact O-CB 3.47Å; L232-L235 PolarHBondContact O-N 3.28Å; L232-L235 VanDerWaalsContact O-N 3.16Å; L235-V237 VanDerWaalsContact C-N 3.32Å; L235-V237 PolarHBondContact O-N 3.09Å; L235-T238 PolarHBondContact O-N 3.45Å; L235-T238 PolarHBondContact O-OG1 2.97Å; L235-V239 HydrophobicContact CD1-CG2 4.38Å; L235-V239 HydrophobicContact CG-CG2 4.5Å; L235-V239 VanDerWaalsContact O-CG2 3.28Å; L235-V239 WeakPolarHBondContact O-CG2 3.26Å; L235-V239 PolarHBondContact O-N 2.96Å
236F92.5Very high89.5Confident42 Ų4247.8 Ų47.818%0.18428%0.279CS..Hα-helixtrans-65.3-37.4177.5-83.6-74.2000111.6L232 S233 V239 T240 V274 C275 W278 F279L232-F236 HydrophobicContact CB-CD2 4.49Å; L232-F236 VanDerWaalsContact O-CD2 3.23Å; L232-F236 WeakPolarHBondContact O-CD2 3.38Å; L232-F236 PolarHBondContact O-N 2.92Å; S233-F236 PolarHBondContact O-N 3.29Å; F236-V239 PolarHBondContact O-N 3.05Å; F236-T240 WeakPolarHBondContact O-CG2 3.47Å; F236-T240 PolarHBondContact O-N 3.47Å; F236-T240 PolarHBondContact O-OG1 3.34Å; F236-V274 HydrophobicContact CE1-CG1 4.13Å; F236-C275 HydrophobicContact CD1-CB 4.33Å; F236-W278 HydrophobicContact CB-CG 4.46Å; F236-W278 HydrophobicContact CD1-CB 4.2Å; F236-W278 HydrophobicContact CD1-CG 4.29Å; F236-W278 HydrophobicContact CD2-CB 4.27Å; F236-W278 AromaticContact CD2-CD1 3.38Å; F236-W278 AromaticContact CD2-CD2 3.72Å; F236-W278 HydrophobicContact CD2-CD2 3.72Å; F236-W278 AromaticContact CD2-CE2 3.74Å; F236-W278 AromaticContact CD2-CG 3.52Å; F236-W278 HydrophobicContact CD2-CG 3.52Å; F236-W278 AromaticContact CD2-NE1 3.54Å; F236-W278 HydrophobicContact CE1-CB 4.23Å; F236-W278 HydrophobicContact CE1-CG 4.46Å; F236-W278 HydrophobicContact CE2-CB 4.3Å; F236-W278 AromaticContact CE2-CD2 3.62Å; F236-W278 HydrophobicContact CE2-CD2 3.62Å; F236-W278 AromaticContact CE2-CE2 3.96Å; F236-W278 AromaticContact CE2-CE3 3.99Å; F236-W278 HydrophobicContact CE2-CE3 3.99Å; F236-W278 AromaticContact CE2-CG 3.73Å; F236-W278 HydrophobicContact CE2-CG 3.73Å; F236-W278 HydrophobicContact CG-CB 4.23Å; F236-W278 AromaticContact CG-CD1 3.57Å; F236-W278 HydrophobicContact CG-CD2 4.49Å; F236-W278 AromaticContact CG-CG 3.84Å; F236-W278 HydrophobicContact CG-CG 3.84Å; F236-W278 HydrophobicContact CZ-CB 4.29Å; F236-W278 HydrophobicContact CZ-CD2 4.32Å; F236-W278 HydrophobicContact CZ-CG 4.2Å; F236-F279 HydrophobicContact CB-CE1 3.78Å; F236-F279 HydrophobicContact CB-CZ 4.34Å
237V90.9Very high89.4Confident7 Ų748.9 Ų48.94%0.04229%0.287CS..Hα-helixtrans-61.1-45.8173171.90000111.2S233 V234 L235 T240 A241 F279 R355 L356S233-V237 WeakPolarHBondContact O-CG2 3.49Å; S233-V237 PolarHBondContact O-N 2.93Å; S233-V237 VanDerWaalsContact O-N 3.09Å; V234-V237 PolarHBondContact O-N 2.92Å; L235-V237 VanDerWaalsContact C-N 3.32Å; L235-V237 PolarHBondContact O-N 3.09Å; V237-T240 WeakPolarHBondContact CA-OG1 3.5Å; V237-T240 PolarHBondContact O-N 2.87Å; V237-T240 PolarHBondContact O-OG1 3.03Å; V237-A241 PolarHBondContact O-N 3.36Å; V237-F279 HydrophobicContact CG2-CE1 4.16Å; V237-F279 HydrophobicContact CG2-CZ 4.07Å; V237-R355 HydrophobicContact CG2-CB 4.36Å; V237-L356 HydrophobicContact CG1-CB 4.46Å
238T90.2Very high89.3Confident70 Ų7046 Ų4643%0.42928%0.28SS..Hα-helixtrans-65.8-42178.158.20000112.3V234 L235 T240 A241 V242V234-T238 WeakPolarHBondContact O-CG2 3.34Å; V234-T238 PolarHBondContact O-N 3.43Å; V234-T238 PolarHBondContact O-OG1 3.11Å; L235-T238 PolarHBondContact O-N 3.45Å; L235-T238 PolarHBondContact O-OG1 2.97Å; T238-T240 VanDerWaalsContact C-N 3.31Å; T238-T240 PolarHBondContact O-N 3.28Å; T238-A241 PolarHBondContact O-N 3.24Å; T238-V242 WeakPolarHBondContact O-CG2 3.41Å; T238-V242 PolarHBondContact O-N 3.21Å
239V92.6Very high89.2Confident55 Ų5546.4 Ų46.433%0.33328%0.279SS..Hα-helixtrans-59.2-42.4174.6171.60000110.9L235 F236 A241 V242 N243 V271L235-V239 HydrophobicContact CD1-CG2 4.38Å; L235-V239 HydrophobicContact CG-CG2 4.5Å; L235-V239 VanDerWaalsContact O-CG2 3.28Å; L235-V239 WeakPolarHBondContact O-CG2 3.26Å; L235-V239 PolarHBondContact O-N 2.96Å; F236-V239 PolarHBondContact O-N 3.05Å; V239-A241 PolarHBondContact O-N 2.98Å; V239-V242 PolarHBondContact O-N 3.48Å; V239-N243 WeakPolarHBondContact O-CB 3.48Å; V239-N243 PolarHBondContact O-N 3.31Å; V239-V271 HydrophobicContact CG1-CG1 3.79Å
240T90.1Very high88.8Confident9 Ų949.6 Ų49.66%0.05530%0.301CS..Hα-helixtrans-66.5-35.7176.754.10000113.8F236 V237 T238 N243 L244 C275 F279 Y352F236-T240 WeakPolarHBondContact O-CG2 3.47Å; F236-T240 PolarHBondContact O-N 3.47Å; F236-T240 PolarHBondContact O-OG1 3.34Å; V237-T240 WeakPolarHBondContact CA-OG1 3.5Å; V237-T240 PolarHBondContact O-N 2.87Å; V237-T240 PolarHBondContact O-OG1 3.03Å; T238-T240 VanDerWaalsContact C-N 3.31Å; T238-T240 PolarHBondContact O-N 3.28Å; T240-N243 PolarHBondContact O-N 2.72Å; T240-L244 WeakPolarHBondContact O-CB 3.35Å; T240-L244 PolarHBondContact O-N 2.72Å; T240-C275 HydrophobicContact CG2-CB 3.22Å; T240-C275 VanDerWaalsContact CG2-SG 3.58Å; T240-F279 HydrophobicContact CG2-CE2 3.64Å; T240-F279 HydrophobicContact CG2-CZ 3.81Å; T240-Y352 HydrophobicContact CG2-CD2 4.37Å
241A89.6Confident88.5Confident32 Ų3251.9 Ų51.926%0.26432%0.316SS..Hα-helixtrans-64.2-44.9175.500000111.1V237 T238 V239 L244 S245 V353V237-A241 PolarHBondContact O-N 3.36Å; T238-A241 PolarHBondContact O-N 3.24Å; V239-A241 PolarHBondContact O-N 2.98Å; A241-L244 WeakPolarHBondContact O-CB 3.39Å; A241-L244 PolarHBondContact O-N 3.43Å; A241-S245 PolarHBondContact O-N 2.93Å; A241-S245 PolarHBondContact O-OG 2.81Å; A241-S245 VanDerWaalsContact O-OG 3.13Å; A241-V353 HydrophobicContact CB-CG2 4.22Å
242V91.1Very high88Confident92 Ų9248.7 Ų48.756%0.55829%0.293SS*.Hα-helixtrans-63.4-45.3175.1175.50000110.8T238 V239 L244 S245 V246T238-V242 WeakPolarHBondContact O-CG2 3.41Å; T238-V242 PolarHBondContact O-N 3.21Å; V239-V242 PolarHBondContact O-N 3.48Å; V242-L244 VanDerWaalsContact C-N 3.28Å; V242-L244 PolarHBondContact O-N 2.9Å; V242-S245 WeakPolarHBondContact O-CB 3.04Å; V242-S245 PolarHBondContact O-N 3.45Å; V242-S245 VanDerWaalsContact O-N 3.13Å; V242-V246 HydrophobicContact CG1-CG2 4.42Å; V242-V246 WeakPolarHBondContact O-CG2 3.23Å; V242-V246 PolarHBondContact O-N 2.91Å
243N89.4Confident87.2Confident19 Ų1951.3 Ų51.310%0.10230%0.299CS..Hα-helixtrans-60.6-39.3178.3-165.254.2000111.7V239 T240 V246 S247 V268 V271V239-N243 WeakPolarHBondContact O-CB 3.48Å; V239-N243 PolarHBondContact O-N 3.31Å; T240-N243 PolarHBondContact O-N 2.72Å; N243-V246 PolarHBondContact O-N 3.3Å; N243-S247 WeakPolarHBondContact O-CB 3.47Å; N243-S247 PolarHBondContact O-N 3.31Å; N243-V268 PolarHBondContact ND2-O 3.32Å; N243-V271 HydrophobicContact CB-CG1 4.31Å
244L86.8Confident86.6Confident37 Ų3756.7 Ų56.719%0.19432%0.323CS..Hα-helixtrans-60.7-48.1173.3-178.664.6000111T240 A241 V242 V246 S247 T248 R349 I350T240-L244 WeakPolarHBondContact O-CB 3.35Å; T240-L244 PolarHBondContact O-N 2.72Å; A241-L244 WeakPolarHBondContact O-CB 3.39Å; A241-L244 PolarHBondContact O-N 3.43Å; V242-L244 VanDerWaalsContact C-N 3.28Å; V242-L244 PolarHBondContact O-N 2.9Å; L244-V246 VanDerWaalsContact C-N 3.33Å; L244-V246 PolarHBondContact O-N 2.94Å; L244-S247 PolarHBondContact O-N 2.87Å; L244-S247 PolarHBondContact O-OG 3.17Å; L244-T248 WeakPolarHBondContact O-CG2 3.26Å; L244-T248 PolarHBondContact O-N 3.42Å; L244-R349 HydrophobicContact CD1-CB 3.95Å; L244-I350 HydrophobicContact CD2-CB 4.2Å; L244-I350 HydrophobicContact CD2-CG1 4.24Å
245S87.8Confident85.9Confident77 Ų7757.1 Ų57.154%0.53832%0.322SS..Hα-helixtrans-58.7-44.5177.3-55.20000112A241 V242 T248A241-S245 PolarHBondContact O-N 2.93Å; A241-S245 PolarHBondContact O-OG 2.81Å; A241-S245 VanDerWaalsContact O-OG 3.13Å; V242-S245 WeakPolarHBondContact O-CB 3.04Å; V242-S245 PolarHBondContact O-N 3.45Å; V242-S245 VanDerWaalsContact O-N 3.13Å; S245-T248 PolarHBondContact O-N 2.87Å; S245-T248 PolarHBondContact O-OG1 3.44Å
246V89Confident84.8Confident34 Ų3457.3 Ų57.321%0.20632%0.321CS..Hα-helixtrans-62.7-44.4176.7173.90000110.9V242 N243 L244 T248 L249 L252 M264 V268V242-V246 HydrophobicContact CG1-CG2 4.42Å; V242-V246 WeakPolarHBondContact O-CG2 3.23Å; V242-V246 PolarHBondContact O-N 2.91Å; N243-V246 PolarHBondContact O-N 3.3Å; L244-V246 VanDerWaalsContact C-N 3.33Å; L244-V246 PolarHBondContact O-N 2.94Å; V246-T248 PolarHBondContact O-N 3.45Å; V246-T248 VanDerWaalsContact O-N 3.08Å; V246-L249 HydrophobicContact CG1-CD1 4.27Å; V246-L249 VanDerWaalsContact O-CB 3.31Å; V246-L249 WeakPolarHBondContact O-CB 3.43Å; V246-L249 WeakPolarHBondContact O-CG 3.31Å; V246-L249 PolarHBondContact O-N 2.73Å; V246-L252 HydrophobicContact CG1-CD1 3.74Å; V246-L252 WeakPolarHBondContact O-CD1 3.45Å; V246-M264 HydrophobicContact CG1-CE 3.9Å; V246-V268 HydrophobicContact CG1-CG2 3.99Å
247S83.1Confident83.6Confident24 Ų2463 Ų6317%0.16835%0.347CS..Hα-helixtrans-63.2-16.9179.376.60000114N243 L244N243-S247 WeakPolarHBondContact O-CB 3.47Å; N243-S247 PolarHBondContact O-N 3.31Å; L244-S247 PolarHBondContact O-N 2.87Å; L244-S247 PolarHBondContact O-OG 3.17Å
248T84Confident82.7Confident66 Ų6669.1 Ų69.141%0.40538%0.376SS..THydrogen-bonded Turntrans-88.8-5.8175.262.20000114.6L244 S245 V246L244-T248 WeakPolarHBondContact O-CG2 3.26Å; L244-T248 PolarHBondContact O-N 3.42Å; S245-T248 PolarHBondContact O-N 2.87Å; S245-T248 PolarHBondContact O-OG1 3.44Å; V246-T248 PolarHBondContact O-N 3.45Å; V246-T248 VanDerWaalsContact O-N 3.08Å
249L86.8Confident81.5Confident83 Ų8369.1 Ų69.144%0.43539%0.389SS..  trans-61.7138.7179.7-70.5171.1000111.3V246 S251 L252 R253V246-L249 HydrophobicContact CG1-CD1 4.27Å; V246-L249 VanDerWaalsContact O-CB 3.31Å; V246-L249 WeakPolarHBondContact O-CB 3.43Å; V246-L249 WeakPolarHBondContact O-CG 3.31Å; V246-L249 PolarHBondContact O-N 2.73Å; L249-S251 VanDerWaalsContact C-N 3.29Å; L249-S251 PolarHBondContact O-N 3.14Å; L249-L252 PolarHBondContact O-N 2.96Å; L249-R253 PolarHBondContact O-N 2.86Å; L249-R253 VanDerWaalsContact O-N 3.17Å
250P82.6Confident80.4Confident83 Ų8373 Ų7354%0.53940%0.404SS..Hα-helixtrans-61-37.7-174.723.4-32.9000112.3L252 R253 E254P250-L252 VanDerWaalsContact C-N 3.32Å; P250-L252 PolarHBondContact O-N 3.29Å; P250-R253 PolarHBondContact O-N 3.35Å; P250-R253 VanDerWaalsContact O-N 3.15Å; P250-E254 WeakPolarHBondContact O-CB 3.19Å; P250-E254 WeakPolarHBondContact O-CG 3.45Å; P250-E254 PolarHBondContact O-N 2.98Å
251S81.3Confident79.5Confident68 Ų6876.5 Ų76.548%0.47643%0.427SS..Hα-helixtrans-58.2-40.8177.351.70000113.3L249 E255L249-S251 VanDerWaalsContact C-N 3.29Å; L249-S251 PolarHBondContact O-N 3.14Å; S251-E255 WeakPolarHBondContact O-CG 3.16Å; S251-E255 PolarHBondContact O-N 3.34Å
252L76.7Confident79Confident19 Ų1977.4 Ų77.410%0.09943%0.432CS..Hα-helixtrans-76.8-30.4178.5-72.3170.4000112.3V246 L249 P250 E256 M264 C265 V268V246-L252 HydrophobicContact CG1-CD1 3.74Å; V246-L252 WeakPolarHBondContact O-CD1 3.45Å; L249-L252 PolarHBondContact O-N 2.96Å; P250-L252 VanDerWaalsContact C-N 3.32Å; P250-L252 PolarHBondContact O-N 3.29Å; L252-E256 WeakPolarHBondContact O-CB 3.38Å; L252-E256 PolarHBondContact O-N 3.2Å; L252-E256 VanDerWaalsContact O-N 3.14Å; L252-M264 HydrophobicContact CD1-CG 4.41Å; L252-M264 HydrophobicContact CD2-CB 4.05Å; L252-M264 HydrophobicContact CD2-CG 3.92Å; L252-C265 HydrophobicContact CD2-CB 4.4Å; L252-V268 HydrophobicContact CD1-CG2 4.49Å
253R75.9Confident78.6Confident117 Ų11779.6 Ų79.644%0.44244%0.436SS..Hα-helixtrans-71.4-42.3175.9-75-175.8169.2-179.3-0.3112.3L249 P250 E255 E256 E257L249-R253 PolarHBondContact O-N 2.86Å; L249-R253 VanDerWaalsContact O-N 3.17Å; P250-R253 PolarHBondContact O-N 3.35Å; P250-R253 VanDerWaalsContact O-N 3.15Å; R253-E255 VanDerWaalsContact C-N 3.34Å; R253-E256 PolarHBondContact O-N 3.11Å; R253-E257 WeakPolarHBondContact O-CG 3.43Å; R253-E257 PolarHBondContact O-N 2.78Å
254E77.1Confident78.1Confident113 Ų11383.1 Ų83.153%0.52845%0.453SS..Hα-helixtrans-63.8-41177.2-72.2170.5-162.200111.3P250 E257 Q258P250-E254 WeakPolarHBondContact O-CB 3.19Å; P250-E254 WeakPolarHBondContact O-CG 3.45Å; P250-E254 PolarHBondContact O-N 2.98Å; E254-E257 PolarHBondContact O-N 3.19Å; E254-Q258 WeakPolarHBondContact O-CB 3.39Å; E254-Q258 VanDerWaalsContact O-CG 3.23Å; E254-Q258 WeakPolarHBondContact O-CG 3.39Å; E254-Q258 PolarHBondContact O-N 3.19Å
255E73.9Confident78Confident63 Ų6383 Ų8329%0.29446%0.455SS..Hα-helixtrans-61.7-43.4173.6-79.3-176.6-179.600112.4S251 R253 Q258 G259 H260 S262S251-E255 WeakPolarHBondContact O-CG 3.16Å; S251-E255 PolarHBondContact O-N 3.34Å; R253-E255 VanDerWaalsContact C-N 3.34Å; E255-Q258 PolarHBondContact O-N 2.78Å; E255-G259 PolarHBondContact O-N 2.91Å; E255-H260 CarbonylContact C-O 3.49Å; E255-H260 WeakPolarHBondContact CB-O 3.3Å; E255-H260 PolarHBondContact O-N 3.16Å; E255-H260 VanDerWaalsContact O-N 3.09Å; E255-H260 VanDerWaalsContact O-O 3.04Å; E255-S262 WeakPolarHBondContact OE2-CB 3.46Å
256E68.9Low77.8Confident94 Ų9483.9 Ų83.944%0.43945%0.45SS..Hα-helixtrans-65.2-41.6177.9-167.7-177.3-163.400112.1L252 R253 Q258 G259 R346L252-E256 WeakPolarHBondContact O-CB 3.38Å; L252-E256 PolarHBondContact O-N 3.2Å; L252-E256 VanDerWaalsContact O-N 3.14Å; R253-E256 PolarHBondContact O-N 3.11Å; E256-Q258 VanDerWaalsContact C-N 3.32Å; E256-Q258 PolarHBondContact O-N 3.32Å; E256-G259 PolarHBondContact O-N 3Å; E256-R346 VanDerWaalsContact CD-NH2 3.26Å; E256-R346 IonicContact OE1-CZ 3.25Å; E256-R346 IonicContact OE1-NH1 2.69Å; E256-R346 IonicContact OE1-NH2 3.23Å; E256-R346 PolarHBondContact OE1-NH2 3.11Å; E256-R346 IonicContact OE2-CZ 2.72Å; E256-R346 VanDerWaalsContact OE2-CZ 3.25Å; E256-R346 IonicContact OE2-NH1 3.47Å; E256-R346 PolarHBondContact OE2-NH1 2.65Å; E256-R346 IonicContact OE2-NH2 3.05Å; E256-R346 PolarHBondContact OE2-NH2 2.8Å
257E68.7Low77.9Confident160 Ų16085.6 Ų85.675%0.74846%0.458SS*.Hα-helixtrans-68.1-30.9177.1-73.9-177.3173.600112.8R253 E254 G259R253-E257 WeakPolarHBondContact O-CG 3.43Å; R253-E257 PolarHBondContact O-N 2.78Å; E254-E257 PolarHBondContact O-N 3.19Å; E257-G259 VanDerWaalsContact C-N 3.26Å; E257-G259 PolarHBondContact O-N 2.72Å
258Q70.4Confident78.1Confident137 Ų13785.3 Ų85.364%0.6446%0.455SS*.THydrogen-bonded Turntrans-80.5-5.3174.7-69.317317.800113.1E254 E255 E256 H260E254-Q258 WeakPolarHBondContact O-CB 3.39Å; E254-Q258 VanDerWaalsContact O-CG 3.23Å; E254-Q258 WeakPolarHBondContact O-CG 3.39Å; E254-Q258 PolarHBondContact O-N 3.19Å; E255-Q258 PolarHBondContact O-N 2.78Å; E256-Q258 VanDerWaalsContact C-N 3.32Å; E256-Q258 PolarHBondContact O-N 3.32Å; Q258-H260 VanDerWaalsContact C-N 3.27Å; Q258-H260 PolarHBondContact O-CD2 3.05Å; Q258-H260 PolarHBondContact O-N 3.47Å
259G65.2Low78.2Confident69 Ų6987 Ų8771%0.71146%0.457SS*.THydrogen-bonded Turntrans73.913.5179.600000114.5E255 E256 E257E255-G259 PolarHBondContact O-N 2.91Å; E256-G259 PolarHBondContact O-N 3Å; E257-G259 VanDerWaalsContact C-N 3.26Å; E257-G259 PolarHBondContact O-N 2.72Å
260H70.7Confident78.5Confident137 Ų13786.5 Ų86.563%0.63445%0.454SS*.  trans-104.9109.2176.6-75-79.3000109.5E255 Q258 S262E255-H260 CarbonylContact C-O 3.49Å; E255-H260 WeakPolarHBondContact CB-O 3.3Å; E255-H260 PolarHBondContact O-N 3.16Å; E255-H260 VanDerWaalsContact O-N 3.09Å; E255-H260 VanDerWaalsContact O-O 3.04Å; Q258-H260 VanDerWaalsContact C-N 3.27Å; Q258-H260 PolarHBondContact O-CD2 3.05Å; Q258-H260 PolarHBondContact O-N 3.47Å; H260-S262 PolarHBondContact O-N 3.38Å
261C70.7Confident78.9Confident82 Ų8285.1 Ų85.155%0.55444%0.444SS*.  trans-92.5105.8175.5-173.60000109.6C265C261-C265 HydrophobicContact CB-CB 4.08Å; C261-C265 WeakPolarHBondContact CB-SG 3.34Å; C261-C265 WeakPolarHBondContact SG-CB 3.37Å; C261-C265 CovalentContact SG-SG 2.06Å; C261-C265 PolarHBondContact SG-SG 3.17Å
262S78.8Confident79.3Confident51 Ų5182.5 Ų82.536%0.35743%0.425SS..  trans-63.7166.6170.8-178.40000111.7E255 H260 M264 C265 H266E255-S262 WeakPolarHBondContact OE2-CB 3.46Å; H260-S262 PolarHBondContact O-N 3.38Å; S262-M264 PolarHBondContact O-N 3.27Å; S262-M264 VanDerWaalsContact O-N 3.11Å; S262-C265 WeakPolarHBondContact O-CB 3.19Å; S262-C265 PolarHBondContact O-N 3.22Å; S262-H266 PolarHBondContact O-N 3.13Å; S262-H266 VanDerWaalsContact O-N 3.1Å
263Q82.4Confident80Confident139 Ų13983 Ų8365%0.6543%0.43SS*.Hα-helixtrans-52.1-34.5173-168.675.4800111.7H266 N267Q263-H266 PolarHBondContact O-N 3.13Å; Q263-N267 WeakPolarHBondContact O-CB 3.44Å; Q263-N267 PolarHBondContact O-N 2.89Å; Q263-N267 PolarHBondContact O-ND2 3.12Å
264M80.3Confident80.9Confident93 Ų9381.5 Ų81.546%0.45843%0.433SS..Hα-helixtrans-68.5-41.9178.8-168.262.5-17900112.4V246 L252 S262 H266 N267 V268V246-M264 HydrophobicContact CG1-CE 3.9Å; L252-M264 HydrophobicContact CD1-CG 4.41Å; L252-M264 HydrophobicContact CD2-CB 4.05Å; L252-M264 HydrophobicContact CD2-CG 3.92Å; S262-M264 PolarHBondContact O-N 3.27Å; S262-M264 VanDerWaalsContact O-N 3.11Å; M264-H266 VanDerWaalsContact C-N 3.33Å; M264-H266 PolarHBondContact O-N 2.98Å; M264-N267 PolarHBondContact O-N 3.09Å; M264-V268 VanDerWaalsContact O-CG2 3.29Å; M264-V268 WeakPolarHBondContact O-CG2 3.34Å; M264-V268 PolarHBondContact O-N 3.3Å
265C82.7Confident81.6Confident34 Ų3476.2 Ų76.223%0.2341%0.408CS..Hα-helixtrans-60.1-43.4172.91580000111.1L252 C261 S262 V268 F269L252-C265 HydrophobicContact CD2-CB 4.4Å; C261-C265 HydrophobicContact CB-CB 4.08Å; C261-C265 WeakPolarHBondContact CB-SG 3.34Å; C261-C265 WeakPolarHBondContact SG-CB 3.37Å; C261-C265 CovalentContact SG-SG 2.06Å; C261-C265 PolarHBondContact SG-SG 3.17Å; S262-C265 WeakPolarHBondContact O-CB 3.19Å; S262-C265 PolarHBondContact O-N 3.22Å; C265-V268 PolarHBondContact O-N 3.17Å; C265-F269 PolarHBondContact O-N 2.63Å
266H85.4Confident82.5Confident96 Ų9673.2 Ų73.244%0.44440%0.395SS..Hα-helixtrans-63.7-44176.1-169.675.3000112.5S262 Q263 M264 V268 F269 I270S262-H266 PolarHBondContact O-N 3.13Å; S262-H266 VanDerWaalsContact O-N 3.1Å; Q263-H266 PolarHBondContact O-N 3.13Å; M264-H266 VanDerWaalsContact C-N 3.33Å; M264-H266 PolarHBondContact O-N 2.98Å; H266-V268 PolarHBondContact O-N 3.41Å; H266-F269 PolarHBondContact O-N 2.9Å; H266-I270 WeakPolarHBondContact CD2-CD1 3.47Å; H266-I270 WeakPolarHBondContact NE2-CD1 3.41Å; H266-I270 WeakPolarHBondContact O-CG1 3.41Å; H266-I270 PolarHBondContact O-N 3.49Å
267N89.4Confident83.7Confident70 Ų7070.5 Ų70.537%0.37439%0.392SS..Hα-helixtrans-62.4-42.6177-70.2-22.4000112Q263 M264 F269 I270 V271Q263-N267 WeakPolarHBondContact O-CB 3.44Å; Q263-N267 PolarHBondContact O-N 2.89Å; Q263-N267 PolarHBondContact O-ND2 3.12Å; M264-N267 PolarHBondContact O-N 3.09Å; N267-F269 VanDerWaalsContact C-N 3.33Å; N267-F269 PolarHBondContact O-N 3.28Å; N267-I270 PolarHBondContact O-N 2.97Å; N267-V271 VanDerWaalsContact O-CG2 3.32Å; N267-V271 WeakPolarHBondContact O-CG2 3.47Å; N267-V271 PolarHBondContact O-N 3.33Å
268V88.4Confident85Confident17 Ų1765.1 Ų65.110%0.10336%0.364CS..Hα-helixtrans-61.1-41.8175.9166.10000111.1N243 V246 L252 M264 C265 H266 V271 E272N243-V268 PolarHBondContact ND2-O 3.32Å; V246-V268 HydrophobicContact CG1-CG2 3.99Å; L252-V268 HydrophobicContact CD1-CG2 4.49Å; M264-V268 VanDerWaalsContact O-CG2 3.29Å; M264-V268 WeakPolarHBondContact O-CG2 3.34Å; M264-V268 PolarHBondContact O-N 3.3Å; C265-V268 PolarHBondContact O-N 3.17Å; H266-V268 PolarHBondContact O-N 3.41Å; V268-V271 PolarHBondContact O-N 3.41Å; V268-E272 WeakPolarHBondContact O-CB 3.3Å; V268-E272 PolarHBondContact O-N 2.93Å
269F86.7Confident86Confident101 Ų10158.6 Ų58.644%0.44333%0.334SS..Hα-helixtrans-65.4-41.4175.3177.8-98.2000112.6C265 H266 N267 E272 S273 Y312C265-F269 PolarHBondContact O-N 2.63Å; H266-F269 PolarHBondContact O-N 2.9Å; N267-F269 VanDerWaalsContact C-N 3.33Å; N267-F269 PolarHBondContact O-N 3.28Å; F269-E272 PolarHBondContact O-N 3.41Å; F269-S273 WeakPolarHBondContact O-CB 3.47Å; F269-S273 PolarHBondContact O-N 2.96Å; F269-S273 PolarHBondContact O-OG 3.19Å; F269-Y312 HydrophobicContact CE2-CE2 4.22Å
270I91.3Very high87.4Confident74 Ų7456.3 Ų56.338%0.37931%0.307SS..Hα-helixtrans-61.4-50175.2-70.2167000110.2H266 N267 E272 S273 V274H266-I270 WeakPolarHBondContact CD2-CD1 3.47Å; H266-I270 WeakPolarHBondContact NE2-CD1 3.41Å; H266-I270 WeakPolarHBondContact O-CG1 3.41Å; H266-I270 PolarHBondContact O-N 3.49Å; N267-I270 PolarHBondContact O-N 2.97Å; I270-E272 VanDerWaalsContact C-N 3.32Å; I270-E272 PolarHBondContact O-N 3.04Å; I270-S273 WeakPolarHBondContact O-CB 3.23Å; I270-S273 PolarHBondContact O-N 3.07Å; I270-V274 HydrophobicContact CG2-CG2 4.31Å; I270-V274 WeakPolarHBondContact O-CG2 3.45Å; I270-V274 PolarHBondContact O-N 3.26Å
271V92.1Very high88.5Confident53 Ų5353.7 Ų53.732%0.32130%0.297SS..Hα-helixtrans-59.1-46.1179.6171.30000110.2V239 N243 N267 V268 S273 V274 C275V239-V271 HydrophobicContact CG1-CG1 3.79Å; N243-V271 HydrophobicContact CB-CG1 4.31Å; N267-V271 VanDerWaalsContact O-CG2 3.32Å; N267-V271 WeakPolarHBondContact O-CG2 3.47Å; N267-V271 PolarHBondContact O-N 3.33Å; V268-V271 PolarHBondContact O-N 3.41Å; V271-S273 VanDerWaalsContact C-N 3.34Å; V271-S273 PolarHBondContact O-N 3.27Å; V271-V274 PolarHBondContact O-N 3.03Å; V271-C275 PolarHBondContact O-N 3.46Å; V271-C275 PolarHBondContact O-SG 3Å
272E90.1Very high89.5Confident14 Ų1449.8 Ų49.87%0.06527%0.271CS..Hα-helixtrans-57-47.2175.5-171.7175.8177.700111.8V268 F269 I270 V274 C275 V276 Y312 R349V268-E272 WeakPolarHBondContact O-CB 3.3Å; V268-E272 PolarHBondContact O-N 2.93Å; F269-E272 PolarHBondContact O-N 3.41Å; I270-E272 VanDerWaalsContact C-N 3.32Å; I270-E272 PolarHBondContact O-N 3.04Å; E272-V274 PolarHBondContact O-N 3.29Å; E272-C275 PolarHBondContact O-N 3.36Å; E272-V276 HydrophobicContact CG-CG2 4.4Å; E272-V276 WeakPolarHBondContact O-CB 3.29Å; E272-V276 WeakPolarHBondContact O-CG2 3.32Å; E272-V276 PolarHBondContact O-N 2.99Å; E272-Y312 HydrophobicContact CG-CD2 4.07Å; E272-Y312 HydrophobicContact CG-CE2 4.38Å; E272-R349 IonicContact OE1-CZ 3.09Å; E272-R349 IonicContact OE1-NE 3.4Å; E272-R349 PolarHBondContact OE1-NE 2.86Å; E272-R349 IonicContact OE1-NH1 2.96Å; E272-R349 PolarHBondContact OE1-NH1 3.18Å; E272-R349 IonicContact OE1-NH2 2.71Å; E272-R349 PolarHBondContact OE1-NH2 2.81Å; E272-R349 VanDerWaalsContact OE1-NH2 3.12Å; E272-R349 IonicContact OE2-CZ 2.79Å; E272-R349 IonicContact OE2-NH1 2.93Å; E272-R349 PolarHBondContact OE2-NH1 2.83Å; E272-R349 IonicContact OE2-NH2 3.12Å
273S91.3Very high90.1Very high30 Ų3048.6 Ų48.621%0.2126%0.26CS..Hα-helixtrans-62.3-41.8-180-57.60000112.2F269 I270 V271 G277 Y312F269-S273 WeakPolarHBondContact O-CB 3.47Å; F269-S273 PolarHBondContact O-N 2.96Å; F269-S273 PolarHBondContact O-OG 3.19Å; I270-S273 WeakPolarHBondContact O-CB 3.23Å; I270-S273 PolarHBondContact O-N 3.07Å; V271-S273 VanDerWaalsContact C-N 3.34Å; V271-S273 PolarHBondContact O-N 3.27Å; S273-G277 PolarHBondContact O-N 2.72Å; S273-Y312 VanDerWaalsContact CB-OH 3.26Å; S273-Y312 WeakPolarHBondContact CB-OH 3.49Å; S273-Y312 PolarHBondContact OG-OH 3.42Å
274V94.6Very high90.5Very high84 Ų8446.2 Ų46.251%0.50925%0.251SS..Hα-helixtrans-65.6-44.9176.5172.80000110.8F236 I270 V271 E272 G277 W278F236-V274 HydrophobicContact CE1-CG1 4.13Å; I270-V274 HydrophobicContact CG2-CG2 4.31Å; I270-V274 WeakPolarHBondContact O-CG2 3.45Å; I270-V274 PolarHBondContact O-N 3.26Å; V271-V274 PolarHBondContact O-N 3.03Å; E272-V274 PolarHBondContact O-N 3.29Å; V274-G277 PolarHBondContact O-N 2.78Å; V274-W278 PolarHBondContact O-N 2.6Å
275C92.6Very high90.9Very high2 Ų243.2 Ų43.21%0.01424%0.236CC..Hα-helixtrans-64.8-46.1178.6-64.60000112.3F236 T240 V271 E272 G277 W278 F279F236-C275 HydrophobicContact CD1-CB 4.33Å; T240-C275 HydrophobicContact CG2-CB 3.22Å; T240-C275 VanDerWaalsContact CG2-SG 3.58Å; V271-C275 PolarHBondContact O-N 3.46Å; V271-C275 PolarHBondContact O-SG 3Å; E272-C275 PolarHBondContact O-N 3.36Å; C275-G277 VanDerWaalsContact C-N 3.29Å; C275-G277 PolarHBondContact O-N 3.25Å; C275-W278 WeakPolarHBondContact O-CB 3.28Å; C275-W278 PolarHBondContact O-N 2.97Å; C275-F279 WeakPolarHBondContact O-CB 3.5Å; C275-F279 WeakPolarHBondContact O-CD1 3.47Å; C275-F279 WeakPolarHBondContact O-CD2 3.42Å; C275-F279 WeakPolarHBondContact O-CG 3.18Å; C275-F279 PolarHBondContact O-N 3.49Å
276V92.6Very high91.2Very high1 Ų142.3 Ų42.31%0.00623%0.228CC..Hα-helixtrans-63.7-37.7175.6174.80000110.6E272 W278 F279 S280 I309 Y312 Y313 Y352E272-V276 HydrophobicContact CG-CG2 4.4Å; E272-V276 WeakPolarHBondContact O-CB 3.29Å; E272-V276 WeakPolarHBondContact O-CG2 3.32Å; E272-V276 PolarHBondContact O-N 2.99Å; V276-W278 PolarHBondContact O-N 3.36Å; V276-F279 WeakPolarHBondContact O-CB 2.95Å; V276-F279 PolarHBondContact O-N 3.27Å; V276-S280 WeakPolarHBondContact O-CB 3.04Å; V276-S280 PolarHBondContact O-N 3.05Å; V276-S280 PolarHBondContact O-OG 3.11Å; V276-S280 VanDerWaalsContact O-OG 3.08Å; V276-I309 HydrophobicContact CG1-CB 4.4Å; V276-I309 HydrophobicContact CG1-CG2 4.42Å; V276-Y312 HydrophobicContact CB-CD1 4.28Å; V276-Y312 HydrophobicContact CB-CG 4.21Å; V276-Y312 HydrophobicContact CG1-CD1 3.73Å; V276-Y312 HydrophobicContact CG1-CE1 4.41Å; V276-Y312 HydrophobicContact CG1-CG 3.94Å; V276-Y312 HydrophobicContact CG2-CD2 4.19Å; V276-Y312 HydrophobicContact CG2-CG 4Å; V276-Y313 HydrophobicContact CG1-CE2 3.9Å; V276-Y352 HydrophobicContact CG2-CE2 4.14Å
277G94.4Very high91.3Very high36 Ų3639.7 Ų39.737%0.37122%0.217SC..Hα-helixtrans-58.1-47.1172.700000112.8S273 V274 C275 F279 S280 L281S273-G277 PolarHBondContact O-N 2.72Å; V274-G277 PolarHBondContact O-N 2.78Å; C275-G277 VanDerWaalsContact C-N 3.29Å; C275-G277 PolarHBondContact O-N 3.25Å; G277-F279 VanDerWaalsContact C-N 3.34Å; G277-F279 PolarHBondContact O-N 3.48Å; G277-S280 PolarHBondContact O-N 3.1Å; G277-L281 WeakPolarHBondContact O-CB 3.28Å; G277-L281 PolarHBondContact O-N 2.94Å
278W94.2Very high91.2Very high47 Ų4740.3 Ų40.318%0.17822%0.22CC..Hα-helixtrans-60.2-44.1174178.5-98.4000111.7F229 L232 F236 V274 C275 V276 L281 E282F229-W278 HydrophobicContact CD2-CH2 4.08Å; F229-W278 HydrophobicContact CD2-CZ2 4.04Å; F229-W278 HydrophobicContact CE2-CH2 4.06Å; F229-W278 AromaticContact CE2-CZ2 3.9Å; F229-W278 HydrophobicContact CE2-CZ2 3.9Å; L232-W278 HydrophobicContact CB-CH2 4.22Å; L232-W278 HydrophobicContact CB-CZ2 3.8Å; L232-W278 HydrophobicContact CD1-CH2 3.92Å; L232-W278 HydrophobicContact CD1-CZ2 4.35Å; F236-W278 HydrophobicContact CB-CG 4.46Å; F236-W278 HydrophobicContact CD1-CB 4.2Å; F236-W278 HydrophobicContact CD1-CG 4.29Å; F236-W278 HydrophobicContact CD2-CB 4.27Å; F236-W278 AromaticContact CD2-CD1 3.38Å; F236-W278 AromaticContact CD2-CD2 3.72Å; F236-W278 HydrophobicContact CD2-CD2 3.72Å; F236-W278 AromaticContact CD2-CE2 3.74Å; F236-W278 AromaticContact CD2-CG 3.52Å; F236-W278 HydrophobicContact CD2-CG 3.52Å; F236-W278 AromaticContact CD2-NE1 3.54Å; F236-W278 HydrophobicContact CE1-CB 4.23Å; F236-W278 HydrophobicContact CE1-CG 4.46Å; F236-W278 HydrophobicContact CE2-CB 4.3Å; F236-W278 AromaticContact CE2-CD2 3.62Å; F236-W278 HydrophobicContact CE2-CD2 3.62Å; F236-W278 AromaticContact CE2-CE2 3.96Å; F236-W278 AromaticContact CE2-CE3 3.99Å; F236-W278 HydrophobicContact CE2-CE3 3.99Å; F236-W278 AromaticContact CE2-CG 3.73Å; F236-W278 HydrophobicContact CE2-CG 3.73Å; F236-W278 HydrophobicContact CG-CB 4.23Å; F236-W278 AromaticContact CG-CD1 3.57Å; F236-W278 HydrophobicContact CG-CD2 4.49Å; F236-W278 AromaticContact CG-CG 3.84Å; F236-W278 HydrophobicContact CG-CG 3.84Å; F236-W278 HydrophobicContact CZ-CB 4.29Å; F236-W278 HydrophobicContact CZ-CD2 4.32Å; F236-W278 HydrophobicContact CZ-CG 4.2Å; V274-W278 PolarHBondContact O-N 2.6Å; C275-W278 WeakPolarHBondContact O-CB 3.28Å; C275-W278 PolarHBondContact O-N 2.97Å; V276-W278 PolarHBondContact O-N 3.36Å; W278-L281 HydrophobicContact CE3-CD2 4.27Å; W278-L281 HydrophobicContact CZ3-CD2 4.33Å; W278-L281 WeakPolarHBondContact O-CB 3.41Å; W278-L281 PolarHBondContact O-N 3.48Å; W278-E282 PolarHBondContact NE1-OE1 3.32Å; W278-E282 WeakPolarHBondContact O-CG 3.27Å; W278-E282 PolarHBondContact O-N 2.93Å
279F92.6Very high91Very high1 Ų139.9 Ų39.90%0.00422%0.216CC..Hα-helixtrans-63.7-42.6179.2-68.2-17.2000113.9F236 V237 T240 C275 V276 G277 L281 E282 F283 I309 Y352 R355F236-F279 HydrophobicContact CB-CE1 3.78Å; F236-F279 HydrophobicContact CB-CZ 4.34Å; V237-F279 HydrophobicContact CG2-CE1 4.16Å; V237-F279 HydrophobicContact CG2-CZ 4.07Å; T240-F279 HydrophobicContact CG2-CE2 3.64Å; T240-F279 HydrophobicContact CG2-CZ 3.81Å; C275-F279 WeakPolarHBondContact O-CB 3.5Å; C275-F279 WeakPolarHBondContact O-CD1 3.47Å; C275-F279 WeakPolarHBondContact O-CD2 3.42Å; C275-F279 WeakPolarHBondContact O-CG 3.18Å; C275-F279 PolarHBondContact O-N 3.49Å; V276-F279 WeakPolarHBondContact O-CB 2.95Å; V276-F279 PolarHBondContact O-N 3.27Å; G277-F279 VanDerWaalsContact C-N 3.34Å; G277-F279 PolarHBondContact O-N 3.48Å; F279-L281 VanDerWaalsContact C-N 3.33Å; F279-E282 PolarHBondContact O-N 3.41Å; F279-F283 WeakPolarHBondContact O-CB 3.13Å; F279-F283 PolarHBondContact O-N 3.28Å; F279-I309 HydrophobicContact CB-CG2 3.69Å; F279-Y352 HydrophobicContact CE2-CD2 4.17Å; F279-R355 VanDerWaalsContact CD2-NH1 3.27Å
280S94Very high90.7Very high21 Ų2135.3 Ų35.315%0.14720%0.198CC..Hα-helixtrans-65.6-37.6173.6-64.60000111.6V276 G277 F283 L284 Y313V276-S280 WeakPolarHBondContact O-CB 3.04Å; V276-S280 PolarHBondContact O-N 3.05Å; V276-S280 PolarHBondContact O-OG 3.11Å; V276-S280 VanDerWaalsContact O-OG 3.08Å; G277-S280 PolarHBondContact O-N 3.1Å; S280-F283 PolarHBondContact O-N 3.48Å; S280-L284 VanDerWaalsContact O-CB 3.25Å; S280-L284 WeakPolarHBondContact O-CB 3.46Å; S280-L284 PolarHBondContact O-N 3.2Å; S280-Y313 WeakPolarHBondContact CB-OH 3.35Å; S280-Y313 VanDerWaalsContact OG-CE2 3.31Å; S280-Y313 WeakPolarHBondContact OG-CE2 3.5Å; S280-Y313 PolarHBondContact OG-OH 3.33Å
281L93.3Very high90Very high81 Ų8138.1 Ų38.142%0.42422%0.22SC..Hα-helixtrans-61-49.7172.5176.367.6000110.9G277 W278 F279 F283 L284 L285G277-L281 WeakPolarHBondContact O-CB 3.28Å; G277-L281 PolarHBondContact O-N 2.94Å; W278-L281 HydrophobicContact CE3-CD2 4.27Å; W278-L281 HydrophobicContact CZ3-CD2 4.33Å; W278-L281 WeakPolarHBondContact O-CB 3.41Å; W278-L281 PolarHBondContact O-N 3.48Å; F279-L281 VanDerWaalsContact C-N 3.33Å; L281-F283 VanDerWaalsContact C-N 3.33Å; L281-F283 PolarHBondContact O-N 3.49Å; L281-L284 PolarHBondContact O-N 2.96Å; L281-L285 HydrophobicContact CD1-CD1 4.16Å; L281-L285 HydrophobicContact CD1-CG 4.16Å; L281-L285 HydrophobicContact CG-CD1 3.99Å; L281-L285 HydrophobicContact CG-CG 4.38Å; L281-L285 WeakPolarHBondContact O-CB 3.11Å; L281-L285 VanDerWaalsContact O-CG 3.23Å; L281-L285 WeakPolarHBondContact O-CG 3.38Å; L281-L285 PolarHBondContact O-N 3.41Å
282E92.1Very high89.6Confident0 Ų038.6 Ų38.60%023%0.226CC..Hα-helixtrans-58.8-45177-67.4-168.6175.800112.5F229 S233 W278 F279 L285 R286 R355F229-E282 HydrophobicContact CE2-CG 4.47Å; F229-E282 HydrophobicContact CZ-CB 4.48Å; F229-E282 HydrophobicContact CZ-CG 3.8Å; S233-E282 WeakPolarHBondContact CA-OE1 3.33Å; S233-E282 WeakPolarHBondContact CB-OE1 3.44Å; S233-E282 PolarHBondContact OG-OE1 2.92Å; W278-E282 PolarHBondContact NE1-OE1 3.32Å; W278-E282 WeakPolarHBondContact O-CG 3.27Å; W278-E282 PolarHBondContact O-N 2.93Å; F279-E282 PolarHBondContact O-N 3.41Å; E282-L285 PolarHBondContact O-N 3.31Å; E282-R286 WeakPolarHBondContact O-CG 3.22Å; E282-R286 PolarHBondContact O-N 3.04Å; E282-R286 VanDerWaalsContact O-N 3.07Å; E282-R286 IonicContact OE2-CZ 2.73Å; E282-R286 IonicContact OE2-NH1 3.3Å; E282-R286 PolarHBondContact OE2-NH1 3.49Å; E282-R286 IonicContact OE2-NH2 3.48Å; E282-R286 PolarHBondContact OE2-NH2 3.4Å; E282-R355 IonicContact OE2-NH2 2.76Å; E282-R355 PolarHBondContact OE2-NH2 3.47Å
283F91.2Very high89.5Confident27 Ų2742.3 Ų42.312%0.11824%0.242CC..Hα-helixtrans-61.4-45.2177.9174.9-96.2000111.3F279 S280 L281 R286 L287 F296 L297 T302 D305 L306F279-F283 WeakPolarHBondContact O-CB 3.13Å; F279-F283 PolarHBondContact O-N 3.28Å; S280-F283 PolarHBondContact O-N 3.48Å; L281-F283 VanDerWaalsContact C-N 3.33Å; L281-F283 PolarHBondContact O-N 3.49Å; F283-R286 PolarHBondContact O-N 3.29Å; F283-L287 HydrophobicContact CE1-CD2 4.16Å; F283-L287 VanDerWaalsContact O-CB 3.3Å; F283-L287 WeakPolarHBondContact O-CB 3.45Å; F283-L287 PolarHBondContact O-N 3.18Å; F283-F296 HydrophobicContact CE2-CE1 4.28Å; F283-L297 HydrophobicContact CE2-CD2 4.27Å; F283-L297 HydrophobicContact CZ-CD2 3.77Å; F283-T302 HydrophobicContact CD2-CG2 4.44Å; F283-T302 HydrophobicContact CE2-CG2 3.76Å; F283-D305 HydrophobicContact CD2-CB 4.45Å; F283-L306 HydrophobicContact CE2-CB 4.46Å; F283-L306 HydrophobicContact CZ-CD1 4.34Å
284L91.4Very high89.3Confident89 Ų8948.4 Ų48.447%0.46627%0.265SS..Hα-helixtrans-64.5-43.6178.7-176.365.6000111.8S280 L281 R286 L287 I288S280-L284 VanDerWaalsContact O-CB 3.25Å; S280-L284 WeakPolarHBondContact O-CB 3.46Å; S280-L284 PolarHBondContact O-N 3.2Å; L281-L284 PolarHBondContact O-N 2.96Å; L284-R286 VanDerWaalsContact C-N 3.33Å; L284-R286 PolarHBondContact O-N 3.43Å; L284-L287 PolarHBondContact O-N 3.04Å; L284-I288 HydrophobicContact CD1-CD1 4.15Å; L284-I288 HydrophobicContact CD1-CG1 4.33Å; L284-I288 HydrophobicContact CD2-CD1 4.47Å; L284-I288 HydrophobicContact CG-CD1 3.85Å; L284-I288 HydrophobicContact CG-CG1 4.42Å; L284-I288 WeakPolarHBondContact O-CB 2.85Å; L284-I288 VanDerWaalsContact O-CG1 3.25Å; L284-I288 WeakPolarHBondContact O-CG1 3.46Å; L284-I288 PolarHBondContact O-N 2.75Å
285L89.4Confident88.8Confident29 Ų2947.2 Ų47.215%0.15226%0.264CS..Hα-helixtrans-59-45.1177-71.8173.2000111.1L213 V217 F229 L281 E282 I288 Q289L213-L285 HydrophobicContact CD1-CD2 4.28Å; L213-L285 HydrophobicContact CD2-CD2 3.95Å; L213-L285 HydrophobicContact CG-CD2 4.43Å; V217-L285 HydrophobicContact CG2-CB 4.27Å; V217-L285 HydrophobicContact CG2-CD1 4.19Å; F229-L285 HydrophobicContact CE2-CD1 4.35Å; L281-L285 HydrophobicContact CD1-CD1 4.16Å; L281-L285 HydrophobicContact CD1-CG 4.16Å; L281-L285 HydrophobicContact CG-CD1 3.99Å; L281-L285 HydrophobicContact CG-CG 4.38Å; L281-L285 WeakPolarHBondContact O-CB 3.11Å; L281-L285 VanDerWaalsContact O-CG 3.23Å; L281-L285 WeakPolarHBondContact O-CG 3.38Å; L281-L285 PolarHBondContact O-N 3.41Å; E282-L285 PolarHBondContact O-N 3.31Å; L285-I288 PolarHBondContact O-N 3.38Å; L285-Q289 WeakPolarHBondContact O-CG 3.31Å; L285-Q289 PolarHBondContact O-N 2.86Å; L285-Q289 PolarHBondContact O-NE2 2.85Å
286R87.7Confident88.5Confident15 Ų1548.8 Ų48.86%0.05727%0.271CS..Hα-helixtrans-66.7-41.8175.9-68.4175-176.9123.98.2112.1V217 E282 F283 L284 I288 Q289 A290 F296 D305V217-R286 HydrophobicContact CG1-CG 3.54Å; E282-R286 WeakPolarHBondContact O-CG 3.22Å; E282-R286 PolarHBondContact O-N 3.04Å; E282-R286 VanDerWaalsContact O-N 3.07Å; E282-R286 IonicContact OE2-CZ 2.73Å; E282-R286 IonicContact OE2-NH1 3.3Å; E282-R286 PolarHBondContact OE2-NH1 3.49Å; E282-R286 IonicContact OE2-NH2 3.48Å; E282-R286 PolarHBondContact OE2-NH2 3.4Å; F283-R286 PolarHBondContact O-N 3.29Å; L284-R286 VanDerWaalsContact C-N 3.33Å; L284-R286 PolarHBondContact O-N 3.43Å; R286-I288 VanDerWaalsContact C-N 3.34Å; R286-I288 PolarHBondContact O-N 2.94Å; R286-Q289 PolarHBondContact O-N 3.23Å; R286-A290 PolarHBondContact O-N 3.2Å; R286-F296 HydrophobicContact CB-CE2 4.07Å; R286-F296 HydrophobicContact CB-CZ 3.61Å; R286-D305 IonicContact NH1-OD2 3.98Å
287L88.7Confident88.2Confident41 Ų4152.2 Ų52.222%0.21529%0.289CS..Hα-helixtrans-61.7-42.2177.4-177.566.4000111.3F283 L284 Q289 K293 F296 L297F283-L287 HydrophobicContact CE1-CD2 4.16Å; F283-L287 VanDerWaalsContact O-CB 3.3Å; F283-L287 WeakPolarHBondContact O-CB 3.45Å; F283-L287 PolarHBondContact O-N 3.18Å; L284-L287 PolarHBondContact O-N 3.04Å; L287-Q289 VanDerWaalsContact C-N 3.33Å; L287-Q289 PolarHBondContact O-N 3.37Å; L287-K293 HydrophobicContact CD1-CB 4.3Å; L287-K293 HydrophobicContact CD1-CD 4.05Å; L287-K293 HydrophobicContact CG-CD 4.45Å; L287-K293 WeakPolarHBondContact O-CD 3.36Å; L287-K293 WeakPolarHBondContact O-CE 3.49Å; L287-K293 PolarHBondContact O-NZ 3.3Å; L287-F296 HydrophobicContact CB-CE1 4.2Å; L287-F296 HydrophobicContact CD1-CD1 3.78Å; L287-F296 HydrophobicContact CD1-CE1 4.12Å; L287-L297 HydrophobicContact CD1-CD2 4.41Å; L287-L297 HydrophobicContact CD1-CG 4.46Å
288I86.9Confident87.9Confident84 Ų8460.2 Ų60.243%0.43131%0.307SS..Hα-helixtrans-64.1-39.7177.7-69.9166.9000110.7M210 L284 L285 R286 K293M210-I288 HydrophobicContact CE-CG2 3.95Å; L284-I288 HydrophobicContact CD1-CD1 4.15Å; L284-I288 HydrophobicContact CD1-CG1 4.33Å; L284-I288 HydrophobicContact CD2-CD1 4.47Å; L284-I288 HydrophobicContact CG-CD1 3.85Å; L284-I288 HydrophobicContact CG-CG1 4.42Å; L284-I288 WeakPolarHBondContact O-CB 2.85Å; L284-I288 VanDerWaalsContact O-CG1 3.25Å; L284-I288 WeakPolarHBondContact O-CG1 3.46Å; L284-I288 PolarHBondContact O-N 2.75Å; L285-I288 PolarHBondContact O-N 3.38Å; R286-I288 VanDerWaalsContact C-N 3.34Å; R286-I288 PolarHBondContact O-N 2.94Å; I288-K293 PolarHBondContact O-NZ 3.46Å
289Q83Confident87.5Confident7 Ų760 Ų603%0.03331%0.313CS..Hα-helixtrans-74.5-28.8-177.6-69.6167.329.100114.1L213 L285 R286 L287L213-Q289 PolarHBondContact O-NE2 3.33Å; L285-Q289 WeakPolarHBondContact O-CG 3.31Å; L285-Q289 PolarHBondContact O-N 2.86Å; L285-Q289 PolarHBondContact O-NE2 2.85Å; R286-Q289 PolarHBondContact O-N 3.23Å; L287-Q289 VanDerWaalsContact C-N 3.33Å; L287-Q289 PolarHBondContact O-N 3.37Å
290A80.8Confident87.1Confident6 Ų664.4 Ų64.45%0.0534%0.342CS..  trans-61.7132.2-176.100000112.6R286 K293 F296R286-A290 PolarHBondContact O-N 3.2Å; A290-K293 PolarHBondContact O-NZ 3.14Å; A290-F296 HydrophobicContact CB-CB 3.71Å; A290-F296 HydrophobicContact CB-CD1 4.39Å; A290-F296 HydrophobicContact CB-CD2 3.92Å; A290-F296 HydrophobicContact CB-CG 3.75Å
291P77.8Confident86.7Confident132 Ų13265.9 Ų65.986%0.85735%0.348SS*.SBendtrans-64.6-46.517924-32000111.5
292S84.1Confident86.5Confident63 Ų6362.1 Ų62.144%0.44133%0.328SS..  trans-114.9105.7178.555.80000111.2F294 A295 F296S292-F294 VanDerWaalsContact C-N 3.32Å; S292-F294 PolarHBondContact O-N 2.94Å; S292-A295 PolarHBondContact O-N 3.35Å; S292-A295 WeakPolarHBondContact OG-CB 3.46Å; S292-F296 WeakPolarHBondContact O-CB 3.41Å; S292-F296 PolarHBondContact O-N 2.93Å
293K86.6Confident86.3Confident92 Ų9266.7 Ų66.740%0.435%0.352SS..Hα-helixtrans-60.4-38.9-175.7-50.9-52.8-177.7-155.20113L287 I288 A290 F296 L297L287-K293 HydrophobicContact CD1-CB 4.3Å; L287-K293 HydrophobicContact CD1-CD 4.05Å; L287-K293 HydrophobicContact CG-CD 4.45Å; L287-K293 WeakPolarHBondContact O-CD 3.36Å; L287-K293 WeakPolarHBondContact O-CE 3.49Å; L287-K293 PolarHBondContact O-NZ 3.3Å; I288-K293 PolarHBondContact O-NZ 3.46Å; A290-K293 PolarHBondContact O-NZ 3.14Å; K293-F296 PolarHBondContact O-N 3.24Å; K293-L297 VanDerWaalsContact O-CG 3.3Å; K293-L297 WeakPolarHBondContact O-CG 3.34Å; K293-L297 PolarHBondContact O-N 3.28Å
294F87Confident86.2Confident159 Ų15967.7 Ų67.770%0.69736%0.358SS*.Hα-helixtrans-70.8-43.5-177.1-168.2-100.6000112.6S292 F296 L297 R298S292-F294 VanDerWaalsContact C-N 3.32Å; S292-F294 PolarHBondContact O-N 2.94Å; F294-F296 VanDerWaalsContact C-N 3.32Å; F294-F296 PolarHBondContact O-N 3.03Å; F294-L297 PolarHBondContact O-N 3.2Å; F294-R298 PolarHBondContact O-N 3.36Å; F294-R298 VanDerWaalsContact O-N 3.1Å
295A85Confident86.1Confident58 Ų5863.6 Ų63.648%0.47934%0.337SS..Hα-helixtrans-66.1-36.9174.700000111.5S292 L297 R298 S299S292-A295 PolarHBondContact O-N 3.35Å; S292-A295 WeakPolarHBondContact OG-CB 3.46Å; A295-L297 PolarHBondContact O-N 2.85Å; A295-R298 PolarHBondContact O-N 2.94Å; A295-S299 PolarHBondContact O-N 3.15Å
296F85.8Confident86.1Confident36 Ų3665.3 Ų65.316%0.15835%0.346CS..Hα-helixtrans-59.9-45.2173.3175.4-100.5000112.4F283 R286 L287 A290 S292 K293 F294 R298 S299 T302F283-F296 HydrophobicContact CE2-CE1 4.28Å; R286-F296 HydrophobicContact CB-CE2 4.07Å; R286-F296 HydrophobicContact CB-CZ 3.61Å; L287-F296 HydrophobicContact CB-CE1 4.2Å; L287-F296 HydrophobicContact CD1-CD1 3.78Å; L287-F296 HydrophobicContact CD1-CE1 4.12Å; A290-F296 HydrophobicContact CB-CB 3.71Å; A290-F296 HydrophobicContact CB-CD1 4.39Å; A290-F296 HydrophobicContact CB-CD2 3.92Å; A290-F296 HydrophobicContact CB-CG 3.75Å; S292-F296 WeakPolarHBondContact O-CB 3.41Å; S292-F296 PolarHBondContact O-N 2.93Å; K293-F296 PolarHBondContact O-N 3.24Å; F294-F296 VanDerWaalsContact C-N 3.32Å; F294-F296 PolarHBondContact O-N 3.03Å; F296-R298 VanDerWaalsContact C-N 3.28Å; F296-R298 PolarHBondContact O-N 3.48Å; F296-S299 WeakPolarHBondContact O-CB 3.22Å; F296-S299 PolarHBondContact O-N 2.92Å; F296-T302 HydrophobicContact CD1-CG2 3.85Å; F296-T302 HydrophobicContact CE1-CG2 3.43Å; F296-T302 VanDerWaalsContact CE1-CG2 3.43Å; F296-T302 HydrophobicContact CE2-CG2 4.39Å; F296-T302 HydrophobicContact CG-CG2 4.49Å; F296-T302 HydrophobicContact CZ-CG2 3.73Å; F296-T302 WeakPolarHBondContact O-CB 3.41Å; F296-T302 WeakPolarHBondContact O-CG2 2.65Å; F296-T302 PolarHBondContact O-OG1 2.06Å
297L87.3Confident86.1Confident73 Ų7366.8 Ų66.838%0.38236%0.356SS..Hα-helixtrans-67.2-27178.1-71.7173000113.3F283 L287 K293 F294 A295 S299 T302F283-L297 HydrophobicContact CE2-CD2 4.27Å; F283-L297 HydrophobicContact CZ-CD2 3.77Å; L287-L297 HydrophobicContact CD1-CD2 4.41Å; L287-L297 HydrophobicContact CD1-CG 4.46Å; K293-L297 VanDerWaalsContact O-CG 3.3Å; K293-L297 WeakPolarHBondContact O-CG 3.34Å; K293-L297 PolarHBondContact O-N 3.28Å; F294-L297 PolarHBondContact O-N 3.2Å; A295-L297 PolarHBondContact O-N 2.85Å; L297-S299 VanDerWaalsContact C-N 3.31Å; L297-T302 HydrophobicContact CD2-CG2 4.42Å
298R87.1Confident86Confident203 Ų20364.8 Ų64.877%0.76635%0.346SS*.Hα-helixtrans-81-9.2177.6-162174.1176.6121.5-2113.3F294 A295 F296F294-R298 PolarHBondContact O-N 3.36Å; F294-R298 VanDerWaalsContact O-N 3.1Å; A295-R298 PolarHBondContact O-N 2.94Å; F296-R298 VanDerWaalsContact C-N 3.28Å; F296-R298 PolarHBondContact O-N 3.48Å
299S85.8Confident86.2Confident43 Ų4361.4 Ų61.430%0.30133%0.329SS..SBendtrans-67.2134.3176.9178.50000111.5A295 F296 L297 L301 T302 L303A295-S299 PolarHBondContact O-N 3.15Å; F296-S299 WeakPolarHBondContact O-CB 3.22Å; F296-S299 PolarHBondContact O-N 2.92Å; L297-S299 VanDerWaalsContact C-N 3.31Å; S299-L301 VanDerWaalsContact C-N 3.3Å; S299-L301 PolarHBondContact O-N 2.9Å; S299-T302 WeakPolarHBondContact O-CB 2.77Å; S299-T302 PolarHBondContact O-N 3.28Å; S299-L303 PolarHBondContact O-N 2.93Å
300P85.3Confident86.5Confident93 Ų9364.8 Ų64.860%0.60435%0.346SS*.Hα-helixtrans-61.5-35.2-175.224.1-34.3000113.2L303 I304P300-L303 PolarHBondContact O-N 3.38Å; P300-I304 WeakPolarHBondContact O-CG1 3.34Å; P300-I304 PolarHBondContact O-N 2.76Å; P300-I304 VanDerWaalsContact O-N 3.15Å
301L85.3Confident86.9Confident52 Ų5264.5 Ų64.527%0.27234%0.344SS..Hα-helixtrans-69.3-35176.8-65.5175000111.9S299 I304 D305 A357S299-L301 VanDerWaalsContact C-N 3.3Å; S299-L301 PolarHBondContact O-N 2.9Å; L301-I304 PolarHBondContact O-N 3.42Å; L301-D305 PolarHBondContact O-N 3.26Å; L301-D305 VanDerWaalsContact O-N 3.16Å; L301-A357 HydrophobicContact CD2-CB 4.31Å
302T88.7Confident87.4Confident3 Ų359.5 Ų59.52%0.01831%0.308CS..Hα-helixtrans-71.5-36.3175.7-54.50000111.4F283 F296 L297 S299 I304 D305 L306F283-T302 HydrophobicContact CD2-CG2 4.44Å; F283-T302 HydrophobicContact CE2-CG2 3.76Å; F296-T302 HydrophobicContact CD1-CG2 3.85Å; F296-T302 HydrophobicContact CE1-CG2 3.43Å; F296-T302 VanDerWaalsContact CE1-CG2 3.43Å; F296-T302 HydrophobicContact CE2-CG2 4.39Å; F296-T302 HydrophobicContact CG-CG2 4.49Å; F296-T302 HydrophobicContact CZ-CG2 3.73Å; F296-T302 WeakPolarHBondContact O-CB 3.41Å; F296-T302 WeakPolarHBondContact O-CG2 2.65Å; F296-T302 PolarHBondContact O-OG1 2.06Å; L297-T302 HydrophobicContact CD2-CG2 4.42Å; S299-T302 WeakPolarHBondContact O-CB 2.77Å; S299-T302 PolarHBondContact O-N 3.28Å; T302-I304 VanDerWaalsContact C-N 3.33Å; T302-I304 PolarHBondContact O-N 3.03Å; T302-D305 PolarHBondContact O-N 3.12Å; T302-L306 PolarHBondContact O-N 3.04Å
303L88.4Confident87.7Confident96 Ų9661.2 Ų61.250%0.50331%0.306SS..Hα-helixtrans-61.5-42173.8-174.867000111.4S299 P300 L306 V307S299-L303 PolarHBondContact O-N 2.93Å; P300-L303 PolarHBondContact O-N 3.38Å; L303-L306 PolarHBondContact O-N 3.06Å; L303-V307 HydrophobicContact CD1-CG2 4.24Å; L303-V307 HydrophobicContact CG-CG2 4.33Å; L303-V307 WeakPolarHBondContact O-CB 3.34Å; L303-V307 VanDerWaalsContact O-CG2 3.28Å; L303-V307 WeakPolarHBondContact O-CG2 3.4Å; L303-V307 PolarHBondContact O-N 3.14Å
304I88.6Confident87.8Confident47 Ų4759.4 Ų59.424%0.24130%0.3CS..Hα-helixtrans-60.6-45.8174.3-67.4166.5000110.7P300 L301 T302 L306 V307 A308 M354 R355P300-I304 WeakPolarHBondContact O-CG1 3.34Å; P300-I304 PolarHBondContact O-N 2.76Å; P300-I304 VanDerWaalsContact O-N 3.15Å; L301-I304 PolarHBondContact O-N 3.42Å; T302-I304 VanDerWaalsContact C-N 3.33Å; T302-I304 PolarHBondContact O-N 3.03Å; I304-L306 VanDerWaalsContact C-N 3.33Å; I304-L306 PolarHBondContact O-N 3.32Å; I304-V307 PolarHBondContact O-N 3.12Å; I304-A308 WeakPolarHBondContact O-CB 3.21Å; I304-A308 PolarHBondContact O-N 3.14Å; I304-M354 HydrophobicContact CG2-CB 3.81Å; I304-R355 HydrophobicContact CG2-CG 4.15Å
305D89.1Confident87.6Confident4 Ų453.1 Ų53.12%0.02128%0.275CS..Hα-helixtrans-60.9-41177.7-70.4-23.3000111.9F283 R286 L301 T302 I309 R355 R358F283-D305 HydrophobicContact CD2-CB 4.45Å; R286-D305 IonicContact NH1-OD2 3.98Å; L301-D305 PolarHBondContact O-N 3.26Å; L301-D305 VanDerWaalsContact O-N 3.16Å; T302-D305 PolarHBondContact O-N 3.12Å; D305-I309 PolarHBondContact O-N 2.99Å; D305-R355 WeakPolarHBondContact OD1-CG 3.37Å; D305-R355 IonicContact OD1-CZ 3.88Å; D305-R355 IonicContact OD1-NE 2.87Å; D305-R355 PolarHBondContact OD1-NE 2.89Å; D305-R355 IonicContact OD1-NH2 2.95Å; D305-R358 IonicContact OD2-CZ 2.8Å; D305-R358 VanDerWaalsContact OD2-CZ 3.27Å; D305-R358 IonicContact OD2-NE 3.43Å; D305-R358 PolarHBondContact OD2-NE 3.01Å; D305-R358 IonicContact OD2-NH2 2.72Å; D305-R358 PolarHBondContact OD2-NH2 3.21Å
306L89.5Confident87.6Confident65 Ų6554.7 Ų54.734%0.3428%0.275SS..Hα-helixtrans-68.6-48.8178.3179.663.9000112.3F283 T302 L303 I304 A308 I309 L310F283-L306 HydrophobicContact CE2-CB 4.46Å; F283-L306 HydrophobicContact CZ-CD1 4.34Å; T302-L306 PolarHBondContact O-N 3.04Å; L303-L306 PolarHBondContact O-N 3.06Å; I304-L306 VanDerWaalsContact C-N 3.33Å; I304-L306 PolarHBondContact O-N 3.32Å; L306-A308 PolarHBondContact O-N 2.73Å; L306-I309 WeakPolarHBondContact O-CG1 3.34Å; L306-I309 PolarHBondContact O-N 2.8Å; L306-L310 WeakPolarHBondContact O-CB 3.16Å; L306-L310 PolarHBondContact O-N 2.72Å; L306-L310 VanDerWaalsContact O-N 3.09Å
307V88.1Confident87.6Confident45 Ų4559.1 Ų59.127%0.27330%0.299SS..Hα-helixtrans-63.7-29.4179.6172.10000111L303 I304 P311 L351L303-V307 HydrophobicContact CD1-CG2 4.24Å; L303-V307 HydrophobicContact CG-CG2 4.33Å; L303-V307 WeakPolarHBondContact O-CB 3.34Å; L303-V307 VanDerWaalsContact O-CG2 3.28Å; L303-V307 WeakPolarHBondContact O-CG2 3.4Å; L303-V307 PolarHBondContact O-N 3.14Å; I304-V307 PolarHBondContact O-N 3.12Å; V307-P311 WeakPolarHBondContact O-CD 3.22Å; V307-L351 HydrophobicContact CG1-CD1 3.48Å; V307-L351 VanDerWaalsContact CG1-CD1 3.48Å
308A86.9Confident87.4Confident0 Ų057.4 Ų57.40%029%0.292CS..Hα-helixtrans-66.5-49.2172.300000111.9I304 L306 L310 P311 Y352 R355I304-A308 WeakPolarHBondContact O-CB 3.21Å; I304-A308 PolarHBondContact O-N 3.14Å; L306-A308 PolarHBondContact O-N 2.73Å; A308-L310 VanDerWaalsContact C-N 3.3Å; A308-L310 PolarHBondContact O-N 3.3Å; A308-P311 WeakPolarHBondContact O-CD 3.31Å; A308-Y352 VanDerWaalsContact C-CE1 3.46Å; A308-Y352 HydrophobicContact CB-CD1 3.71Å; A308-Y352 HydrophobicContact CB-CE1 4.12Å; A308-Y352 HydrophobicContact CB-CG 4.33Å; A308-Y352 WeakPolarHBondContact O-CE1 3.47Å; A308-Y352 PolarHBondContact O-OH 3.06Å; A308-R355 HydrophobicContact CB-CG 4.17Å
309I89.9Confident86.9Confident13 Ų1352 Ų527%0.06728%0.278CS..Hα-helixtrans-74.4-22.2-177.762.1174.7000113.7V276 F279 D305 L306 Y312 Y313V276-I309 HydrophobicContact CG1-CB 4.4Å; V276-I309 HydrophobicContact CG1-CG2 4.42Å; F279-I309 HydrophobicContact CB-CG2 3.69Å; D305-I309 PolarHBondContact O-N 2.99Å; L306-I309 WeakPolarHBondContact O-CG1 3.34Å; L306-I309 PolarHBondContact O-N 2.8Å; I309-Y312 PolarHBondContact O-N 2.93Å; I309-Y313 HydrophobicContact CB-CD2 4.39Å; I309-Y313 HydrophobicContact CB-CE2 4.13Å; I309-Y313 HydrophobicContact CD1-CE2 4.37Å; I309-Y313 VanDerWaalsContact O-CD2 3.3Å; I309-Y313 WeakPolarHBondContact O-CD2 3.48Å
310L89.4Confident86.6Confident77 Ų7752.2 Ų52.240%0.40329%0.287SS..Hα-helixtrans-58.7-46.2-170.8-174.574.7000114.9L306 A308 Y312 Y313 I314L306-L310 WeakPolarHBondContact O-CB 3.16Å; L306-L310 PolarHBondContact O-N 2.72Å; L306-L310 VanDerWaalsContact O-N 3.09Å; A308-L310 VanDerWaalsContact C-N 3.3Å; A308-L310 PolarHBondContact O-N 3.3Å; L310-Y312 VanDerWaalsContact C-N 3.31Å; L310-Y312 PolarHBondContact O-N 3.39Å; L310-Y313 PolarHBondContact O-N 3.05Å; L310-I314 HydrophobicContact CD1-CD1 3.96Å; L310-I314 HydrophobicContact CD1-CG1 4.15Å; L310-I314 HydrophobicContact CD2-CD1 3.91Å; L310-I314 HydrophobicContact CG-CD1 3.55Å; L310-I314 HydrophobicContact CG-CG1 4.1Å; L310-I314 WeakPolarHBondContact O-CG1 3.4Å; L310-I314 PolarHBondContact O-N 3.41Å
311P88.5Confident86.2Confident0 Ų050.4 Ų50.40%028%0.28CS..Hα-helixtrans-53.8-42.8180-30.536.5000114.3V307 A308 I314 T315 L345 L348 R349V307-P311 WeakPolarHBondContact O-CD 3.22Å; A308-P311 WeakPolarHBondContact O-CD 3.31Å; P311-I314 PolarHBondContact O-N 2.87Å; P311-T315 PolarHBondContact O-N 3.45Å; P311-T315 PolarHBondContact O-OG1 3.09Å; P311-T315 VanDerWaalsContact O-OG1 3.05Å; P311-L345 HydrophobicContact CB-CB 4.32Å; P311-L345 WeakPolarHBondContact CB-O 3.29Å; P311-L348 HydrophobicContact CG-CB 3.77Å; P311-L348 HydrophobicContact CG-CD1 4.46Å; P311-R349 HydrophobicContact CB-CG 4.37Å
312Y88.8Confident85.4Confident28 Ų2850.6 Ų50.611%0.1129%0.289CS..Hα-helixtrans-62.7-48.2-178.6177.5-89.3000111.5F269 E272 S273 V276 I309 L310 I314 T315 L316F269-Y312 HydrophobicContact CE2-CE2 4.22Å; E272-Y312 HydrophobicContact CG-CD2 4.07Å; E272-Y312 HydrophobicContact CG-CE2 4.38Å; S273-Y312 VanDerWaalsContact CB-OH 3.26Å; S273-Y312 WeakPolarHBondContact CB-OH 3.49Å; S273-Y312 PolarHBondContact OG-OH 3.42Å; V276-Y312 HydrophobicContact CB-CD1 4.28Å; V276-Y312 HydrophobicContact CB-CG 4.21Å; V276-Y312 HydrophobicContact CG1-CD1 3.73Å; V276-Y312 HydrophobicContact CG1-CE1 4.41Å; V276-Y312 HydrophobicContact CG1-CG 3.94Å; V276-Y312 HydrophobicContact CG2-CD2 4.19Å; V276-Y312 HydrophobicContact CG2-CG 4Å; I309-Y312 PolarHBondContact O-N 2.93Å; L310-Y312 VanDerWaalsContact C-N 3.31Å; L310-Y312 PolarHBondContact O-N 3.39Å; Y312-I314 PolarHBondContact O-N 2.94Å; Y312-T315 PolarHBondContact O-N 3.12Å; Y312-L316 PolarHBondContact O-N 3.22Å
313Y90.4Very high84.2Confident98 Ų9854 Ų5438%0.38432%0.317SS..Hα-helixtrans-67.3-36.2179.3-70.2-69.1000112.7V276 S280 I309 L310 L317V276-Y313 HydrophobicContact CG1-CE2 3.9Å; S280-Y313 WeakPolarHBondContact CB-OH 3.35Å; S280-Y313 VanDerWaalsContact OG-CE2 3.31Å; S280-Y313 WeakPolarHBondContact OG-CE2 3.5Å; S280-Y313 PolarHBondContact OG-OH 3.33Å; I309-Y313 HydrophobicContact CB-CD2 4.39Å; I309-Y313 HydrophobicContact CB-CE2 4.13Å; I309-Y313 HydrophobicContact CD1-CE2 4.37Å; I309-Y313 VanDerWaalsContact O-CD2 3.3Å; I309-Y313 WeakPolarHBondContact O-CD2 3.48Å; L310-Y313 PolarHBondContact O-N 3.05Å; Y313-L317 VanDerWaalsContact O-CB 3.3Å; Y313-L317 WeakPolarHBondContact O-CB 3.42Å; Y313-L317 PolarHBondContact O-N 3.31Å
314I88.4Confident82.7Confident55 Ų5552.7 Ų52.728%0.28233%0.327SS..Hα-helixtrans-65.1-46174.8-65.5175.3000110.4L310 P311 Y312 L316 L317 V318 L345L310-I314 HydrophobicContact CD1-CD1 3.96Å; L310-I314 HydrophobicContact CD1-CG1 4.15Å; L310-I314 HydrophobicContact CD2-CD1 3.91Å; L310-I314 HydrophobicContact CG-CD1 3.55Å; L310-I314 HydrophobicContact CG-CG1 4.1Å; L310-I314 WeakPolarHBondContact O-CG1 3.4Å; L310-I314 PolarHBondContact O-N 3.41Å; P311-I314 PolarHBondContact O-N 2.87Å; Y312-I314 PolarHBondContact O-N 2.94Å; I314-L316 PolarHBondContact O-N 3.34Å; I314-L317 PolarHBondContact O-N 3.49Å; I314-V318 HydrophobicContact CG2-CG2 4.17Å; I314-V318 VanDerWaalsContact O-CG2 3.29Å; I314-V318 WeakPolarHBondContact O-CG2 3.5Å; I314-V318 PolarHBondContact O-N 3.43Å; I314-L345 HydrophobicContact CB-CD1 4.04Å; I314-L345 HydrophobicContact CD1-CD1 4.49Å; I314-L345 HydrophobicContact CD1-CD2 4.12Å; I314-L345 HydrophobicContact CG2-CD1 3.42Å; I314-L345 VanDerWaalsContact CG2-CD1 3.42Å
315T84Confident81.1Confident27 Ų2759.9 Ų59.917%0.16635%0.351CS..Hα-helixtrans-58-48.6176.9-61.90000111P311 Y312 L317 V318 D319 L342P311-T315 PolarHBondContact O-N 3.45Å; P311-T315 PolarHBondContact O-OG1 3.09Å; P311-T315 VanDerWaalsContact O-OG1 3.05Å; Y312-T315 PolarHBondContact O-N 3.12Å; T315-L317 VanDerWaalsContact C-N 3.3Å; T315-L317 PolarHBondContact O-N 2.93Å; T315-V318 PolarHBondContact O-N 3.19Å; T315-D319 WeakPolarHBondContact CG2-OD2 3.11Å; T315-D319 WeakPolarHBondContact O-CB 3.49Å; T315-D319 VanDerWaalsContact O-CG 3.3Å; T315-D319 PolarHBondContact O-N 2.84Å; T315-L342 HydrophobicContact CG2-CD2 4.32Å
316L85.1Confident79.1Confident91 Ų9171 Ų7148%0.47639%0.393SS..Hα-helixtrans-59.2-40.4178.1-169.772.1000112.6Y312 I314 G320Y312-L316 PolarHBondContact O-N 3.22Å; I314-L316 PolarHBondContact O-N 3.34Å; L316-G320 PolarHBondContact O-N 2.98Å
317L85.8Confident76.8Confident128 Ų12876.7 Ų76.767%0.6742%0.415SS*.Hα-helixtrans-68.9-39.6178.9-174.9141.6000112.1Y313 I314 T315 A321Y313-L317 VanDerWaalsContact O-CB 3.3Å; Y313-L317 WeakPolarHBondContact O-CB 3.42Å; Y313-L317 PolarHBondContact O-N 3.31Å; I314-L317 PolarHBondContact O-N 3.49Å; T315-L317 VanDerWaalsContact C-N 3.3Å; T315-L317 PolarHBondContact O-N 2.93Å; L317-A321 VanDerWaalsContact O-CB 3.25Å; L317-A321 WeakPolarHBondContact O-CB 3.48Å; L317-A321 PolarHBondContact O-N 3.26Å
318V82Confident74.8Confident37 Ų3781 Ų8122%0.22444%0.444CS..Hα-helixtrans-66.8-45.7176.7170.90000110.8I314 T315 G320 A321 A322 V338 L342I314-V318 HydrophobicContact CG2-CG2 4.17Å; I314-V318 VanDerWaalsContact O-CG2 3.29Å; I314-V318 WeakPolarHBondContact O-CG2 3.5Å; I314-V318 PolarHBondContact O-N 3.43Å; T315-V318 PolarHBondContact O-N 3.19Å; V318-G320 PolarHBondContact O-N 3.18Å; V318-A321 PolarHBondContact O-N 3.04Å; V318-A322 WeakPolarHBondContact O-CB 3.38Å; V318-A322 PolarHBondContact O-N 3.26Å; V318-V338 HydrophobicContact CG1-CG1 3.55Å; V318-L342 HydrophobicContact CB-CD2 4.33Å; V318-L342 HydrophobicContact CG1-CD1 4.11Å; V318-L342 HydrophobicContact CG1-CD2 4.29Å
319D77.2Confident73Confident90 Ų9085 Ų8548%0.48148%0.484SS..Hα-helixtrans-64.6-40.9178.5-67.7-21.6000111.4T315 A322 A323T315-D319 WeakPolarHBondContact CG2-OD2 3.11Å; T315-D319 WeakPolarHBondContact O-CB 3.49Å; T315-D319 VanDerWaalsContact O-CG 3.3Å; T315-D319 PolarHBondContact O-N 2.84Å; D319-A322 PolarHBondContact O-N 3.28Å; D319-A323 PolarHBondContact O-N 3.39Å
320G78.9Confident70.8Confident48 Ų4889 Ų8950%0.49552%0.52SS..Hα-helixtrans-65.3-40.9174.500000113.4L316 V318 A323 G324L316-G320 PolarHBondContact O-N 2.98Å; V318-G320 PolarHBondContact O-N 3.18Å; G320-A323 PolarHBondContact O-N 2.9Å; G320-G324 PolarHBondContact O-N 3.23Å
321A77.3Confident68.8Low55 Ų5587.5 Ų87.546%0.45552%0.522SS..Hα-helixtrans-69.7-33.8176.800000112.6L317 V318 G324 R325L317-A321 VanDerWaalsContact O-CB 3.25Å; L317-A321 WeakPolarHBondContact O-CB 3.48Å; L317-A321 PolarHBondContact O-N 3.26Å; V318-A321 PolarHBondContact O-N 3.04Å; A321-G324 PolarHBondContact O-N 2.84Å; A321-R325 PolarHBondContact O-N 2.76Å
322A68.3Low67.3Low55 Ų5593.6 Ų93.646%0.45556%0.555SS.*Hα-helixtrans-68.5-39174.900000111.9V318 D319 G324 R325V318-A322 WeakPolarHBondContact O-CB 3.38Å; V318-A322 PolarHBondContact O-N 3.26Å; D319-A322 PolarHBondContact O-N 3.28Å; A322-G324 VanDerWaalsContact C-N 3.29Å; A322-G324 PolarHBondContact O-N 3.32Å; A322-R325 PolarHBondContact O-N 3.33Å
323A63Low65.9Low75 Ų7596.2 Ų96.262%0.6258%0.578SS**Hα-helixtrans-62.2-33.4175.500000113.1D319 G320D319-A323 PolarHBondContact O-N 3.39Å; G320-A323 PolarHBondContact O-N 2.9Å
324G58.7Low64.7Low68 Ų6899.1 Ų99.170%0.70159%0.589SS**Hα-helixtrans-79.5-14.1177.300000115.6G320 A321 A322G320-G324 PolarHBondContact O-N 3.23Å; A321-G324 PolarHBondContact O-N 2.84Å; A322-G324 VanDerWaalsContact C-N 3.29Å; A322-G324 PolarHBondContact O-N 3.32Å
325R54.9Low63.5Low198 Ų198102 Ų10275%0.74760%0.604SS**THydrogen-bonded Turntrans-112.945.7-177.5-76.4-170.8-177159.72.6113.4A321 A322 K327A321-R325 PolarHBondContact O-N 2.76Å; A322-R325 PolarHBondContact O-N 3.33Å; R325-K327 PolarHBondContact O-N 3.21Å
326R46.2Very low62.6Low237 Ų237105.8 Ų105.889%0.89462%0.624SS**  trans-68.473.7161.1-78.6-175.6175.3164.6-0.6110.6
327K42.3Very low61.7Low186 Ų186108.7 Ų108.781%0.80963%0.633SS**  trans-106.3116.2154.8-94.8-173.6177.3179.80107.9R325 G329R325-K327 PolarHBondContact O-N 3.21Å; K327-G329 PolarHBondContact O-N 3.47Å
328P45.6Very low61.1Low136 Ų136104 Ų10488%0.88361%0.609SS**THydrogen-bonded Turntrans-72.8117.3178.830.2-29.5000108.1
329G47.5Very low60.6Low82 Ų82103.9 Ų103.985%0.84562%0.615SS**THydrogen-bonded Turntrans133.9-0.1164.600000118.4K327K327-G329 PolarHBondContact O-N 3.47Å
330A43.9Very low60.4Low98 Ų98104.9 Ų104.981%0.8162%0.62SS**SBendtrans-110.889.6179.900000113
331G47.6Very low60.4Low45 Ų45106.7 Ų106.746%0.46462%0.621SS.*  trans7990.214700000118.2S333 Y334G331-S333 PolarHBondContact O-N 3Å; G331-Y334 PolarHBondContact O-N 2.92Å
332N57.7Low60.2Low128 Ų128105.7 Ų105.768%0.68461%0.608SS**Hα-helixtrans-47.8-30.5167.7-134.857.8000113.3Y334 L335 D336N332-Y334 PolarHBondContact O-N 3.21Å; N332-L335 PolarHBondContact O-N 3.35Å; N332-D336 PolarHBondContact O-N 3Å
333S60.3Low60.6Low84 Ų84111.4 Ų111.459%0.58762%0.618SS**Hα-helixtrans-72.1-20.9-176.4-41.80000115.7G331 K337G331-S333 PolarHBondContact O-N 3Å; S333-K337 VanDerWaalsContact O-CG 3.29Å; S333-K337 WeakPolarHBondContact O-CG 3.28Å; S333-K337 PolarHBondContact O-N 3.28Å
334Y64.4Low61.4Low158 Ų158111.8 Ų111.862%0.6261%0.613SS**Hα-helixtrans-81.5-40.4175.9-175.3-101.2000110.8G331 N332 K337 V338G331-Y334 PolarHBondContact O-N 2.92Å; N332-Y334 PolarHBondContact O-N 3.21Å; Y334-K337 PolarHBondContact O-N 3.32Å; Y334-V338 HydrophobicContact CD1-CG2 3.99Å; Y334-V338 HydrophobicContact CE1-CG2 3.7Å; Y334-V338 HydrophobicContact CE2-CG2 4.43Å; Y334-V338 HydrophobicContact CG-CG2 4.49Å; Y334-V338 WeakPolarHBondContact O-CB 3.4Å; Y334-V338 VanDerWaalsContact O-CG2 3.22Å; Y334-V338 WeakPolarHBondContact O-CG2 3.41Å; Y334-V338 PolarHBondContact O-N 3.42Å
335L62.4Low62.4Low116 Ų116109.4 Ų109.461%0.60758%0.583SS**Hα-helixtrans-65.8-38.7176.6-67.7174.3000111.9N332 K337 V338 G339N332-L335 PolarHBondContact O-N 3.35Å; L335-K337 PolarHBondContact O-N 2.95Å; L335-V338 PolarHBondContact O-N 3.49Å; L335-G339 PolarHBondContact O-N 3.41Å
336D65.3Low63.4Low107 Ų107104 Ų10457%0.57256%0.563SS**Hα-helixtrans-63.8-40.2174.3-73.7-22.8000112.5N332 G339 L340N332-D336 PolarHBondContact O-N 3Å; D336-G339 PolarHBondContact O-N 2.88Å; D336-L340 PolarHBondContact O-N 2.88Å; D336-L340 VanDerWaalsContact O-N 3.07Å
337K67.5Low64.9Low152 Ų15295.9 Ų95.966%0.66155%0.546SS*.Hα-helixtrans-68.1-39.5175.8-73.9179.9-177.3-176.50112S333 Y334 L335 L340 V341S333-K337 VanDerWaalsContact O-CG 3.29Å; S333-K337 WeakPolarHBondContact O-CG 3.28Å; S333-K337 PolarHBondContact O-N 3.28Å; Y334-K337 PolarHBondContact O-N 3.32Å; L335-K337 PolarHBondContact O-N 2.95Å; K337-L340 PolarHBondContact O-N 3.13Å; K337-V341 WeakPolarHBondContact O-CG2 3.37Å; K337-V341 PolarHBondContact O-N 3.27Å; K337-V341 VanDerWaalsContact O-N 3.16Å
338V73.2Confident66.8Low30 Ų3089.9 Ų89.918%0.18252%0.523CS..Hα-helixtrans-67.2-38175173.60000110.7V318 Y334 L335 L340 V341 L342V318-V338 HydrophobicContact CG1-CG1 3.55Å; Y334-V338 HydrophobicContact CD1-CG2 3.99Å; Y334-V338 HydrophobicContact CE1-CG2 3.7Å; Y334-V338 HydrophobicContact CE2-CG2 4.43Å; Y334-V338 HydrophobicContact CG-CG2 4.49Å; Y334-V338 WeakPolarHBondContact O-CB 3.4Å; Y334-V338 VanDerWaalsContact O-CG2 3.22Å; Y334-V338 WeakPolarHBondContact O-CG2 3.41Å; Y334-V338 PolarHBondContact O-N 3.42Å; L335-V338 PolarHBondContact O-N 3.49Å; V338-L340 PolarHBondContact O-N 3.08Å; V338-V341 PolarHBondContact O-N 3.05Å; V338-L342 HydrophobicContact CG1-CD1 4.02Å; V338-L342 HydrophobicContact CG1-CG 4.28Å; V338-L342 VanDerWaalsContact O-CG 3.3Å; V338-L342 WeakPolarHBondContact O-CG 3.37Å; V338-L342 PolarHBondContact O-N 3.09Å
339G71.6Confident68.6Low34 Ų3484.9 Ų84.935%0.35149%0.486SS..Hα-helixtrans-61.9-40.5174.400000113.4L335 D336 L342 R343L335-G339 PolarHBondContact O-N 3.41Å; D336-G339 PolarHBondContact O-N 2.88Å; G339-L342 PolarHBondContact O-N 3.15Å; G339-R343 WeakPolarHBondContact O-CB 3.47Å; G339-R343 PolarHBondContact O-N 3.01Å
340L72.4Confident70.3Confident111 Ų11186.3 Ų86.358%0.58147%0.473SS*.Hα-helixtrans-63-43.6173-173.770.3000111.6D336 K337 V338 R343 V344D336-L340 PolarHBondContact O-N 2.88Å; D336-L340 VanDerWaalsContact O-N 3.07Å; K337-L340 PolarHBondContact O-N 3.13Å; V338-L340 PolarHBondContact O-N 3.08Å; L340-R343 WeakPolarHBondContact O-CB 3.45Å; L340-R343 PolarHBondContact O-N 3.12Å; L340-V344 WeakPolarHBondContact O-CG2 3.34Å; L340-V344 PolarHBondContact O-N 3.21Å
341V77.7Confident72.2Confident85 Ų8584.4 Ų84.452%0.51545%0.449SS..Hα-helixtrans-63.3-44.9177.2172.40000111K337 V338 R343 V344 L345K337-V341 WeakPolarHBondContact O-CG2 3.37Å; K337-V341 PolarHBondContact O-N 3.27Å; K337-V341 VanDerWaalsContact O-N 3.16Å; V338-V341 PolarHBondContact O-N 3.05Å; V341-R343 VanDerWaalsContact C-N 3.3Å; V341-R343 PolarHBondContact O-N 2.88Å; V341-V344 PolarHBondContact O-N 3.04Å; V341-L345 HydrophobicContact CG1-CD1 3.91Å; V341-L345 HydrophobicContact CG1-CG 4.24Å; V341-L345 WeakPolarHBondContact O-CB 3.34Å; V341-L345 VanDerWaalsContact O-CG 3.27Å; V341-L345 WeakPolarHBondContact O-CG 3.25Å; V341-L345 PolarHBondContact O-N 3.32Å
342L74.1Confident73.9Confident35 Ų3582.8 Ų82.818%0.18343%0.429CS..Hα-helixtrans-61.5-36.7176-70.3172.2000112.1T315 V318 V338 G339 L345 R346T315-L342 HydrophobicContact CG2-CD2 4.32Å; V318-L342 HydrophobicContact CB-CD2 4.33Å; V318-L342 HydrophobicContact CG1-CD1 4.11Å; V318-L342 HydrophobicContact CG1-CD2 4.29Å; V338-L342 HydrophobicContact CG1-CD1 4.02Å; V338-L342 HydrophobicContact CG1-CG 4.28Å; V338-L342 VanDerWaalsContact O-CG 3.3Å; V338-L342 WeakPolarHBondContact O-CG 3.37Å; V338-L342 PolarHBondContact O-N 3.09Å; G339-L342 PolarHBondContact O-N 3.15Å; L342-L345 HydrophobicContact CD2-CD1 4.34Å; L342-L345 PolarHBondContact O-N 2.94Å; L342-R346 WeakPolarHBondContact O-CB 3.02Å; L342-R346 PolarHBondContact O-N 3.5Å
343R75.4Confident75.1Confident174 Ų17479.8 Ų79.866%0.65742%0.415SS*.Hα-helixtrans-64.2-41.7174.5-169.9-179.9-68.7175.6-3.6112.1G339 L340 V341 R346 A347G339-R343 WeakPolarHBondContact O-CB 3.47Å; G339-R343 PolarHBondContact O-N 3.01Å; L340-R343 WeakPolarHBondContact O-CB 3.45Å; L340-R343 PolarHBondContact O-N 3.12Å; V341-R343 VanDerWaalsContact C-N 3.3Å; V341-R343 PolarHBondContact O-N 2.88Å; R343-R346 PolarHBondContact O-N 3.43Å; R343-A347 PolarHBondContact O-N 3.24Å
344V80.1Confident76.2Confident84 Ų8480.1 Ų80.151%0.50941%0.409SS..Hα-helixtrans-67.6-43.2174.5174.80000111.1L340 V341 R346 A347 L348L340-V344 WeakPolarHBondContact O-CG2 3.34Å; L340-V344 PolarHBondContact O-N 3.21Å; V341-V344 PolarHBondContact O-N 3.04Å; V344-R346 VanDerWaalsContact C-N 3.28Å; V344-R346 PolarHBondContact O-N 2.9Å; V344-A347 WeakPolarHBondContact O-CA 3.47Å; V344-A347 WeakPolarHBondContact O-CB 3.27Å; V344-A347 PolarHBondContact O-N 3.44Å; V344-L348 PolarHBondContact O-N 2.98Å
345L79.7Confident77.1Confident17 Ų1772.9 Ų72.99%0.08938%0.38CS..Hα-helixtrans-60.9-37.7175.9-70.1172.7000111.7P311 I314 V341 L342 A347 L348P311-L345 HydrophobicContact CB-CB 4.32Å; P311-L345 WeakPolarHBondContact CB-O 3.29Å; I314-L345 HydrophobicContact CB-CD1 4.04Å; I314-L345 HydrophobicContact CD1-CD1 4.49Å; I314-L345 HydrophobicContact CD1-CD2 4.12Å; I314-L345 HydrophobicContact CG2-CD1 3.42Å; I314-L345 VanDerWaalsContact CG2-CD1 3.42Å; V341-L345 HydrophobicContact CG1-CD1 3.91Å; V341-L345 HydrophobicContact CG1-CG 4.24Å; V341-L345 WeakPolarHBondContact O-CB 3.34Å; V341-L345 VanDerWaalsContact O-CG 3.27Å; V341-L345 WeakPolarHBondContact O-CG 3.25Å; V341-L345 PolarHBondContact O-N 3.32Å; L342-L345 HydrophobicContact CD2-CD1 4.34Å; L342-L345 PolarHBondContact O-N 2.94Å; L345-A347 VanDerWaalsContact C-N 3.3Å; L345-A347 PolarHBondContact O-N 2.89Å; L345-L348 HydrophobicContact CD2-CD1 3.9Å; L345-L348 WeakPolarHBondContact O-CB 3.03Å; L345-L348 PolarHBondContact O-N 2.98Å
346R76.1Confident78Confident86 Ų8670.4 Ų70.433%0.32537%0.367SS..Hα-helixtrans-62.2-38.1173-164.6-176.5-66.2177.1-1.9111.6E256 L342 R343 V344 R349E256-R346 VanDerWaalsContact CD-NH2 3.26Å; E256-R346 IonicContact OE1-CZ 3.25Å; E256-R346 IonicContact OE1-NH1 2.69Å; E256-R346 IonicContact OE1-NH2 3.23Å; E256-R346 PolarHBondContact OE1-NH2 3.11Å; E256-R346 IonicContact OE2-CZ 2.72Å; E256-R346 VanDerWaalsContact OE2-CZ 3.25Å; E256-R346 IonicContact OE2-NH1 3.47Å; E256-R346 PolarHBondContact OE2-NH1 2.65Å; E256-R346 IonicContact OE2-NH2 3.05Å; E256-R346 PolarHBondContact OE2-NH2 2.8Å; L342-R346 WeakPolarHBondContact O-CB 3.02Å; L342-R346 PolarHBondContact O-N 3.5Å; R343-R346 PolarHBondContact O-N 3.43Å; V344-R346 VanDerWaalsContact C-N 3.28Å; V344-R346 PolarHBondContact O-N 2.9Å; R346-R349 VanDerWaalsContact O-CB 3.25Å; R346-R349 WeakPolarHBondContact O-CB 3.39Å; R346-R349 VanDerWaalsContact O-CG 3.29Å; R346-R349 WeakPolarHBondContact O-CG 3.4Å; R346-R349 PolarHBondContact O-N 2.92Å
347A78.6Confident78.9Confident65 Ų6565.7 Ų65.754%0.53734%0.343SS..Hα-helixtrans-67.8-33.6174.900000112.7R343 V344 L345 R349 I350R343-A347 PolarHBondContact O-N 3.24Å; V344-A347 WeakPolarHBondContact O-CA 3.47Å; V344-A347 WeakPolarHBondContact O-CB 3.27Å; V344-A347 PolarHBondContact O-N 3.44Å; L345-A347 VanDerWaalsContact C-N 3.3Å; L345-A347 PolarHBondContact O-N 2.89Å; A347-R349 PolarHBondContact O-N 2.67Å; A347-R349 VanDerWaalsContact O-N 3.07Å; A347-I350 WeakPolarHBondContact O-CB 3.49Å; A347-I350 WeakPolarHBondContact O-CG2 3.47Å; A347-I350 PolarHBondContact O-N 3.21Å
348L82.7Confident79.5Confident61 Ų6161.3 Ų61.332%0.31932%0.323SS..Hα-helixtrans-60.7-17.2174.4-64.9179.9000113.1P311 V344 L345 I350 L351P311-L348 HydrophobicContact CG-CB 3.77Å; P311-L348 HydrophobicContact CG-CD1 4.46Å; V344-L348 PolarHBondContact O-N 2.98Å; L345-L348 HydrophobicContact CD2-CD1 3.9Å; L345-L348 WeakPolarHBondContact O-CB 3.03Å; L345-L348 PolarHBondContact O-N 2.98Å; L348-I350 PolarHBondContact O-N 3.39Å; L348-I350 VanDerWaalsContact O-N 3.15Å; L348-L351 HydrophobicContact CB-CD1 4.37Å; L348-L351 HydrophobicContact CD2-CD1 3.88Å; L348-L351 WeakPolarHBondContact O-CB 3.36Å; L348-L351 WeakPolarHBondContact O-CG 3.38Å; L348-L351 PolarHBondContact O-N 3.13Å
349R81.4Confident79.9Confident31 Ų3163 Ų6312%0.11733%0.328CS..G310 helixtrans-59.6-22.1172.6-60.4177.6-174.5-168.6-8.3113L244 E272 P311 R346 A347 L351 Y352L244-R349 HydrophobicContact CD1-CB 3.95Å; E272-R349 IonicContact OE1-CZ 3.09Å; E272-R349 IonicContact OE1-NE 3.4Å; E272-R349 PolarHBondContact OE1-NE 2.86Å; E272-R349 IonicContact OE1-NH1 2.96Å; E272-R349 PolarHBondContact OE1-NH1 3.18Å; E272-R349 IonicContact OE1-NH2 2.71Å; E272-R349 PolarHBondContact OE1-NH2 2.81Å; E272-R349 VanDerWaalsContact OE1-NH2 3.12Å; E272-R349 IonicContact OE2-CZ 2.79Å; E272-R349 IonicContact OE2-NH1 2.93Å; E272-R349 PolarHBondContact OE2-NH1 2.83Å; E272-R349 IonicContact OE2-NH2 3.12Å; P311-R349 HydrophobicContact CB-CG 4.37Å; R346-R349 VanDerWaalsContact O-CB 3.25Å; R346-R349 WeakPolarHBondContact O-CB 3.39Å; R346-R349 VanDerWaalsContact O-CG 3.29Å; R346-R349 WeakPolarHBondContact O-CG 3.4Å; R346-R349 PolarHBondContact O-N 2.92Å; A347-R349 PolarHBondContact O-N 2.67Å; A347-R349 VanDerWaalsContact O-N 3.07Å; R349-L351 PolarHBondContact O-N 3.5Å; R349-Y352 HydrophobicContact CB-CD1 4.34Å; R349-Y352 HydrophobicContact CB-CE1 4.02Å; R349-Y352 HydrophobicContact CG-CE1 4.13Å; R349-Y352 WeakPolarHBondContact O-CB 3.29Å; R349-Y352 WeakPolarHBondContact O-CD1 3.46Å; R349-Y352 PolarHBondContact O-N 2.87Å
350I83.6Confident80.5Confident111 Ų11163 Ų6357%0.56932%0.324SS*.G310 helixtrans-61.5-26.1172.7-157.1166.1000112.7L244 A347 L348 Y352 V353L244-I350 HydrophobicContact CD2-CB 4.2Å; L244-I350 HydrophobicContact CD2-CG1 4.24Å; A347-I350 WeakPolarHBondContact O-CB 3.49Å; A347-I350 WeakPolarHBondContact O-CG2 3.47Å; A347-I350 PolarHBondContact O-N 3.21Å; L348-I350 PolarHBondContact O-N 3.39Å; L348-I350 VanDerWaalsContact O-N 3.15Å; I350-Y352 PolarHBondContact O-N 2.93Å; I350-Y352 VanDerWaalsContact O-N 3.11Å; I350-V353 PolarHBondContact O-N 3.37Å
351L83.7Confident80.9Confident58 Ų5859.5 Ų59.530%0.30431%0.305SS..G310 helixtrans-66.2-11.4176.3-58.7176.1000112.5V307 L348 R349 V353 M354V307-L351 HydrophobicContact CG1-CD1 3.48Å; V307-L351 VanDerWaalsContact CG1-CD1 3.48Å; L348-L351 HydrophobicContact CB-CD1 4.37Å; L348-L351 HydrophobicContact CD2-CD1 3.88Å; L348-L351 WeakPolarHBondContact O-CB 3.36Å; L348-L351 WeakPolarHBondContact O-CG 3.38Å; L348-L351 PolarHBondContact O-N 3.13Å; R349-L351 PolarHBondContact O-N 3.5Å; L351-V353 PolarHBondContact O-N 3.35Å; L351-M354 HydrophobicContact CD2-CG 4.39Å; L351-M354 VanDerWaalsContact O-CB 3.28Å; L351-M354 WeakPolarHBondContact O-CB 3.37Å; L351-M354 PolarHBondContact O-N 2.87Å
352Y83.1Confident81.1Confident12 Ų1256.7 Ų56.75%0.04729%0.293CS..G310 helixtrans-62.6-35.6176.8-70.427.7000110.1T240 V276 F279 A308 R349 I350 M354 R355T240-Y352 HydrophobicContact CG2-CD2 4.37Å; V276-Y352 HydrophobicContact CG2-CE2 4.14Å; F279-Y352 HydrophobicContact CE2-CD2 4.17Å; A308-Y352 VanDerWaalsContact C-CE1 3.46Å; A308-Y352 HydrophobicContact CB-CD1 3.71Å; A308-Y352 HydrophobicContact CB-CE1 4.12Å; A308-Y352 HydrophobicContact CB-CG 4.33Å; A308-Y352 WeakPolarHBondContact O-CE1 3.47Å; A308-Y352 PolarHBondContact O-OH 3.06Å; R349-Y352 HydrophobicContact CB-CD1 4.34Å; R349-Y352 HydrophobicContact CB-CE1 4.02Å; R349-Y352 HydrophobicContact CG-CE1 4.13Å; R349-Y352 WeakPolarHBondContact O-CB 3.29Å; R349-Y352 WeakPolarHBondContact O-CD1 3.46Å; R349-Y352 PolarHBondContact O-N 2.87Å; I350-Y352 PolarHBondContact O-N 2.93Å; I350-Y352 VanDerWaalsContact O-N 3.11Å; Y352-M354 PolarHBondContact O-N 3.41Å; Y352-R355 VanDerWaalsContact O-CB 3.28Å; Y352-R355 WeakPolarHBondContact O-CB 3.31Å; Y352-R355 WeakPolarHBondContact O-CG 3.17Å; Y352-R355 PolarHBondContact O-N 3.13Å; Y352-R355 VanDerWaalsContact O-N 3.12Å
353V83.7Confident81.6Confident64 Ų6457.9 Ų57.939%0.38830%0.3SS..G310 helixtrans-63.4-31.4177.2-177.70000111.1A241 I350 L351 R355 L356A241-V353 HydrophobicContact CB-CG2 4.22Å; I350-V353 PolarHBondContact O-N 3.37Å; L351-V353 PolarHBondContact O-N 3.35Å; V353-R355 PolarHBondContact O-N 3.41Å; V353-R355 VanDerWaalsContact O-N 3.14Å; V353-L356 VanDerWaalsContact O-CB 3.23Å; V353-L356 WeakPolarHBondContact O-CB 3.47Å; V353-L356 PolarHBondContact O-N 3.42Å
354M83.9Confident82.1Confident92 Ų9252.6 Ų52.645%0.45328%0.282SS..G310 helixtrans-64.3-18.6178-62.4-60-64.100112.8I304 L351 Y352 L356 A357I304-M354 HydrophobicContact CG2-CB 3.81Å; L351-M354 HydrophobicContact CD2-CG 4.39Å; L351-M354 VanDerWaalsContact O-CB 3.28Å; L351-M354 WeakPolarHBondContact O-CB 3.37Å; L351-M354 PolarHBondContact O-N 2.87Å; Y352-M354 PolarHBondContact O-N 3.41Å; M354-L356 PolarHBondContact O-N 3.23Å; M354-A357 WeakPolarHBondContact O-CB 3.38Å; M354-A357 PolarHBondContact O-N 3.4Å
355R82.3Confident82.3Confident6 Ų648.6 Ų48.62%0.02326%0.258CS..G310 helixtrans-63.5-20.1173-63.9-169.765.8-159.8-11.4113.3V237 F279 E282 I304 D305 A308 Y352 V353 A357 R358V237-R355 HydrophobicContact CG2-CB 4.36Å; F279-R355 VanDerWaalsContact CD2-NH1 3.27Å; E282-R355 IonicContact OE2-NH2 2.76Å; E282-R355 PolarHBondContact OE2-NH2 3.47Å; I304-R355 HydrophobicContact CG2-CG 4.15Å; D305-R355 WeakPolarHBondContact OD1-CG 3.37Å; D305-R355 IonicContact OD1-CZ 3.88Å; D305-R355 IonicContact OD1-NE 2.87Å; D305-R355 PolarHBondContact OD1-NE 2.89Å; D305-R355 IonicContact OD1-NH2 2.95Å; A308-R355 HydrophobicContact CB-CG 4.17Å; Y352-R355 VanDerWaalsContact O-CB 3.28Å; Y352-R355 WeakPolarHBondContact O-CB 3.31Å; Y352-R355 WeakPolarHBondContact O-CG 3.17Å; Y352-R355 PolarHBondContact O-N 3.13Å; Y352-R355 VanDerWaalsContact O-N 3.12Å; V353-R355 PolarHBondContact O-N 3.41Å; V353-R355 VanDerWaalsContact O-N 3.14Å; R355-A357 PolarHBondContact O-N 3.33Å; R355-A357 VanDerWaalsContact O-N 3.12Å; R355-R358 PolarHBondContact O-N 3.13Å
356L82.8Confident82.6Confident63 Ų6352.4 Ų52.433%0.3328%0.278SS..G310 helixtrans-57.8-24.3170.6-167.467.1000111.9V237 V353 M354 R358 H359 S360 L363V237-L356 HydrophobicContact CG1-CB 4.46Å; V353-L356 VanDerWaalsContact O-CB 3.23Å; V353-L356 WeakPolarHBondContact O-CB 3.47Å; V353-L356 PolarHBondContact O-N 3.42Å; M354-L356 PolarHBondContact O-N 3.23Å; L356-R358 PolarHBondContact O-N 2.81Å; L356-H359 CarbonylContact O-C 3.6Å; L356-H359 PolarHBondContact O-N 3.14Å; L356-S360 WeakPolarHBondContact O-CB 3.35Å; L356-S360 PolarHBondContact O-N 3.04Å; L356-L363 HydrophobicContact CB-CD2 4.4Å
357A83.2Confident83.1Confident9 Ų950.4 Ų50.47%0.07428%0.284CS..G310 helixtrans-55.5-35.8174.400000112.6L301 M354 R355 H359 S360 L363 Q364L301-A357 HydrophobicContact CD2-CB 4.31Å; M354-A357 WeakPolarHBondContact O-CB 3.38Å; M354-A357 PolarHBondContact O-N 3.4Å; R355-A357 PolarHBondContact O-N 3.33Å; R355-A357 VanDerWaalsContact O-N 3.12Å; A357-H359 PolarHBondContact O-N 3.21Å; A357-S360 PolarHBondContact O-N 3.25Å; A357-L363 HydrophobicContact CB-CB 3.99Å; A357-L363 HydrophobicContact CB-CD2 4.04Å; A357-Q364 WeakPolarHBondContact O-CG 3.04Å; A357-Q364 PolarHBondContact O-NE2 2.81Å
358R80.5Confident83.3Confident59 Ų5949.7 Ų49.722%0.22327%0.271CS..G310 helixtrans-65.2-28.4177-177.6177.2-67.4-74.53.8112.8D305 R355 L356 Q364D305-R358 IonicContact OD2-CZ 2.8Å; D305-R358 VanDerWaalsContact OD2-CZ 3.27Å; D305-R358 IonicContact OD2-NE 3.43Å; D305-R358 PolarHBondContact OD2-NE 3.01Å; D305-R358 IonicContact OD2-NH2 2.72Å; D305-R358 PolarHBondContact OD2-NH2 3.21Å; R355-R358 PolarHBondContact O-N 3.13Å; L356-R358 PolarHBondContact O-N 2.81Å; R358-Q364 PolarHBondContact O-NE2 3.36Å; R358-Q364 VanDerWaalsContact O-NE2 3.14Å
359H81.8Confident83.6Confident65 Ų6546.9 Ų46.930%0.30126%0.257SS..THydrogen-bonded Turntrans-101.1-9.8-175.7-62.7-74.2000113.4S233 V234 L356 A357S233-H359 VanDerWaalsContact CB-CE1 3.41Å; S233-H359 WeakPolarHBondContact CB-CE1 3.44Å; S233-H359 WeakPolarHBondContact CB-NE2 3.3Å; V234-H359 HydrophobicContact CG2-CB 3.96Å; L356-H359 CarbonylContact O-C 3.6Å; L356-H359 PolarHBondContact O-N 3.14Å; A357-H359 PolarHBondContact O-N 3.21Å
360S84.3Confident83.8Confident36 Ų3647.6 Ų47.625%0.25227%0.269SS..  trans-117.1112.1-178.4174.90000110.6L356 A357 G362 L363 Q364L356-S360 WeakPolarHBondContact O-CB 3.35Å; L356-S360 PolarHBondContact O-N 3.04Å; A357-S360 PolarHBondContact O-N 3.25Å; S360-G362 PolarHBondContact O-N 3.33Å; S360-G362 PolarHBondContact OG-N 3.24Å; S360-L363 PolarHBondContact O-N 3.11Å; S360-L363 PolarHBondContact OG-N 2.99Å; S360-Q364 WeakPolarHBondContact O-CG 3.49Å; S360-Q364 PolarHBondContact O-N 3.05Å
361L80.2Confident84Confident36 Ų3651.5 Ų51.519%0.18828%0.277CS..Hα-helixtrans-53.5-42170.5-178.762.8000110.6L363 Q364 T365 Y467 L470L361-L363 PolarHBondContact O-N 3.47Å; L361-Q364 WeakPolarHBondContact O-CB 3.42Å; L361-Q364 PolarHBondContact O-N 2.85Å; L361-Q364 VanDerWaalsContact O-N 3.14Å; L361-T365 PolarHBondContact O-N 3.4Å; L361-T365 PolarHBondContact O-OG1 3.47Å; L361-Y467 HydrophobicContact CD2-CE2 4.26Å; L361-L470 HydrophobicContact CD1-CB 4.09Å; L361-L470 HydrophobicContact CD1-CD1 4.48Å
362G82.7Confident84.1Confident26 Ų2654.4 Ų54.427%0.26828%0.284SS..Hα-helixtrans-58.6-43179.400000113.3S360 T365 L366S360-G362 PolarHBondContact O-N 3.33Å; S360-G362 PolarHBondContact OG-N 3.24Å; G362-T365 PolarHBondContact O-N 3.37Å; G362-L366 VanDerWaalsContact O-CG 3.29Å; G362-L366 WeakPolarHBondContact O-CG 3.29Å; G362-L366 PolarHBondContact O-N 2.92Å
363L84.1Confident84.4Confident61 Ų6154 Ų5432%0.31928%0.282SS..Hα-helixtrans-69.5-35.1176.8-104.464.4000112.4L356 A357 S360 L361 L366 G367L356-L363 HydrophobicContact CB-CD2 4.4Å; A357-L363 HydrophobicContact CB-CB 3.99Å; A357-L363 HydrophobicContact CB-CD2 4.04Å; S360-L363 PolarHBondContact O-N 3.11Å; S360-L363 PolarHBondContact OG-N 2.99Å; L361-L363 PolarHBondContact O-N 3.47Å; L363-L366 HydrophobicContact CD1-CD1 4.33Å; L363-L366 PolarHBondContact O-N 2.87Å; L363-G367 PolarHBondContact O-N 3.38Å
364Q85.3Confident84.6Confident63 Ų6355.4 Ų55.429%0.29429%0.291SS..Hα-helixtrans-65.3-44.5174.4-63.9174.522.800110.7A357 R358 S360 L361 L366 G367 L368A357-Q364 WeakPolarHBondContact O-CG 3.04Å; A357-Q364 PolarHBondContact O-NE2 2.81Å; R358-Q364 PolarHBondContact O-NE2 3.36Å; R358-Q364 VanDerWaalsContact O-NE2 3.14Å; S360-Q364 WeakPolarHBondContact O-CG 3.49Å; S360-Q364 PolarHBondContact O-N 3.05Å; L361-Q364 WeakPolarHBondContact O-CB 3.42Å; L361-Q364 PolarHBondContact O-N 2.85Å; L361-Q364 VanDerWaalsContact O-N 3.14Å; Q364-L366 VanDerWaalsContact C-N 3.33Å; Q364-L366 PolarHBondContact O-N 2.92Å; Q364-G367 PolarHBondContact O-N 3.3Å; Q364-L368 WeakPolarHBondContact O-CB 3.26Å; Q364-L368 PolarHBondContact O-N 2.65Å
365T84.4Confident84.9Confident0 Ų060 Ų600%030%0.303CS..Hα-helixtrans-60-43.4173.9-52.90000111.2L361 G362 G367 L368 T369 F463 Y467 L470L361-T365 PolarHBondContact O-N 3.4Å; L361-T365 PolarHBondContact O-OG1 3.47Å; G362-T365 PolarHBondContact O-N 3.37Å; T365-G367 PolarHBondContact O-N 2.65Å; T365-L368 PolarHBondContact O-N 3.36Å; T365-T369 VanDerWaalsContact O-CB 3.26Å; T365-T369 WeakPolarHBondContact O-CB 3.3Å; T365-T369 PolarHBondContact O-N 2.72Å; T365-T369 PolarHBondContact O-OG1 2.96Å; T365-F463 HydrophobicContact CG2-CD2 3.77Å; T365-F463 HydrophobicContact CG2-CE2 3.56Å; T365-F463 HydrophobicContact CG2-CZ 4.26Å; T365-Y467 HydrophobicContact CG2-CD2 4.39Å; T365-L470 HydrophobicContact CG2-CD1 4.44Å; T365-L470 WeakPolarHBondContact OG1-CD1 3.4Å
366L87.2Confident85.2Confident96 Ų9661.9 Ų61.950%0.50331%0.312SS..Hα-helixtrans-59.8-44.8175.7-75.3172.2000111.7G362 L363 Q364 T369 A370 F463G362-L366 VanDerWaalsContact O-CG 3.29Å; G362-L366 WeakPolarHBondContact O-CG 3.29Å; G362-L366 PolarHBondContact O-N 2.92Å; L363-L366 HydrophobicContact CD1-CD1 4.33Å; L363-L366 PolarHBondContact O-N 2.87Å; Q364-L366 VanDerWaalsContact C-N 3.33Å; Q364-L366 PolarHBondContact O-N 2.92Å; L366-T369 PolarHBondContact O-N 3.47Å; L366-A370 WeakPolarHBondContact O-CB 3.48Å; L366-A370 PolarHBondContact O-N 2.82Å; L366-F463 HydrophobicContact CD2-CD2 3.81Å; L366-F463 HydrophobicContact CD2-CE2 3.61Å; L366-F463 HydrophobicContact CG-CD2 4.43Å; L366-F463 HydrophobicContact CG-CE2 3.86Å
367G85.7Confident85.5Confident45 Ų4563.1 Ų63.146%0.46432%0.315SS..Hα-helixtrans-63.4-43.6176.900000113.1L363 Q364 T365 A370 R371L363-G367 PolarHBondContact O-N 3.38Å; Q364-G367 PolarHBondContact O-N 3.3Å; T365-G367 PolarHBondContact O-N 2.65Å; G367-A370 PolarHBondContact O-N 3.25Å; G367-R371 PolarHBondContact O-N 3.15Å
368L83.6Confident85.9Confident49 Ų4964.6 Ų64.626%0.25733%0.331SS..Hα-helixtrans-64.7-42.2176.4-176.362.3000111.6Q364 T365 R371 R372 L470Q364-L368 WeakPolarHBondContact O-CB 3.26Å; Q364-L368 PolarHBondContact O-N 2.65Å; T365-L368 PolarHBondContact O-N 3.36Å; L368-R371 PolarHBondContact O-N 3.05Å; L368-R372 WeakPolarHBondContact O-CG 3.25Å; L368-R372 PolarHBondContact O-N 3.07Å; L368-L470 HydrophobicContact CD2-CD1 3.89Å; L368-L470 HydrophobicContact CD2-CD2 4.45Å; L368-L470 HydrophobicContact CD2-CG 4.22Å
369T87.5Confident86.3Confident3 Ų364.5 Ų64.52%0.01834%0.335CS..Hα-helixtrans-62.8-46176.2-55.70000110.6T365 L366 R371 R372 C373 I459 T462 F463T365-T369 VanDerWaalsContact O-CB 3.26Å; T365-T369 WeakPolarHBondContact O-CB 3.3Å; T365-T369 PolarHBondContact O-N 2.72Å; T365-T369 PolarHBondContact O-OG1 2.96Å; L366-T369 PolarHBondContact O-N 3.47Å; T369-R371 VanDerWaalsContact C-N 3.27Å; T369-R371 PolarHBondContact O-N 3.4Å; T369-R372 PolarHBondContact O-N 2.93Å; T369-R372 VanDerWaalsContact O-N 3.17Å; T369-C373 VanDerWaalsContact O-CB 3.32Å; T369-C373 WeakPolarHBondContact O-CB 3.28Å; T369-C373 PolarHBondContact O-N 3.28Å; T369-C373 PolarHBondContact O-SG 3.48Å; T369-C373 VanDerWaalsContact O-SG 3.42Å; T369-I459 HydrophobicContact CG2-CG2 4.39Å; T369-T462 HydrophobicContact CG2-CG2 4.21Å; T369-F463 HydrophobicContact CG2-CB 3.83Å; T369-F463 WeakPolarHBondContact OG1-CA 3.35Å
370A86.9Confident86.8Confident45 Ų4562.5 Ų62.537%0.37233%0.326SS..Hα-helixtrans-57.9-42.2176.800000111.3L366 G367 T374L366-A370 WeakPolarHBondContact O-CB 3.48Å; L366-A370 PolarHBondContact O-N 2.82Å; G367-A370 PolarHBondContact O-N 3.25Å; A370-T374 WeakPolarHBondContact O-CG2 3.2Å; A370-T374 PolarHBondContact O-N 3.05Å; A370-T374 VanDerWaalsContact O-N 3.14Å
371R87.1Confident87.2Confident194 Ų19465.9 Ų65.973%0.73234%0.341SS*.Hα-helixtrans-62.9-46.7175.2-174.7178.1175.2-170.1-3.1112.1G367 L368 T369 T374G367-R371 PolarHBondContact O-N 3.15Å; L368-R371 PolarHBondContact O-N 3.05Å; T369-R371 VanDerWaalsContact C-N 3.27Å; T369-R371 PolarHBondContact O-N 3.4Å; R371-T374 VanDerWaalsContact O-CG2 3.29Å; R371-T374 WeakPolarHBondContact O-CG2 3.34Å; R371-T374 PolarHBondContact O-N 2.84Å; R371-T374 PolarHBondContact O-OG1 3.07Å
372R86.8Confident87.8Confident119 Ų11968.9 Ų68.945%0.44936%0.356SS..Hα-helixtrans-67.6-35-179.6-71.2174.4178.9-173.5-6.8112.2L368 T369 T462 S466 E469L368-R372 WeakPolarHBondContact O-CG 3.25Å; L368-R372 PolarHBondContact O-N 3.07Å; T369-R372 PolarHBondContact O-N 2.93Å; T369-R372 VanDerWaalsContact O-N 3.17Å; R372-T462 HydrophobicContact CB-CG2 4.03Å; R372-S466 PolarHBondContact NH1-OG 2.89Å; R372-E469 IonicContact CZ-OE2 2.65Å; R372-E469 IonicContact NH1-OE2 3.19Å; R372-E469 PolarHBondContact NH1-OE2 2.96Å; R372-E469 IonicContact NH2-OE2 3.36Å; R372-E469 PolarHBondContact NH2-OE2 2.73Å
373C88.9Confident88.3Confident2 Ų272.5 Ų72.51%0.01437%0.365CS..THydrogen-bonded Turntrans-92.913.9179-62.10000114T369 R375 E376 F377 I459 T462T369-C373 VanDerWaalsContact O-CB 3.32Å; T369-C373 WeakPolarHBondContact O-CB 3.28Å; T369-C373 PolarHBondContact O-N 3.28Å; T369-C373 PolarHBondContact O-SG 3.48Å; T369-C373 VanDerWaalsContact O-SG 3.42Å; C373-R375 PolarHBondContact O-N 3.41Å; C373-R375 VanDerWaalsContact O-N 3.14Å; C373-E376 HydrophobicContact CB-CB 4.43Å; C373-E376 PolarHBondContact O-N 3.24Å; C373-F377 HydrophobicContact CB-CD2 3.79Å; C373-F377 HydrophobicContact CB-CE2 3.98Å; C373-F377 WeakPolarHBondContact O-CD2 3.39Å; C373-F377 PolarHBondContact O-N 3.46Å; C373-I459 HydrophobicContact CB-CG1 4.16Å; C373-T462 WeakPolarHBondContact SG-CB 3.29Å; C373-T462 WeakPolarHBondContact SG-CG2 3.17Å; C373-T462 PolarHBondContact SG-OG1 3.39Å
374T88.4Confident88.7Confident94 Ų9470.9 Ų70.958%0.57736%0.357SS*.Hα-helixtrans-53-38.6-177.8400000112.9A370 R371 G378A370-T374 WeakPolarHBondContact O-CG2 3.2Å; A370-T374 PolarHBondContact O-N 3.05Å; A370-T374 VanDerWaalsContact O-N 3.14Å; R371-T374 VanDerWaalsContact O-CG2 3.29Å; R371-T374 WeakPolarHBondContact O-CG2 3.34Å; R371-T374 PolarHBondContact O-N 2.84Å; R371-T374 PolarHBondContact O-OG1 3.07Å; T374-G378 PolarHBondContact O-N 2.82Å
375R88.6Confident89.2Confident189 Ų18971 Ų7171%0.71336%0.364SS*.Hα-helixtrans-63.6-47.5175.1-177.1-178.5168.3111.4-0.9112.2C373 G378 L379C373-R375 PolarHBondContact O-N 3.41Å; C373-R375 VanDerWaalsContact O-N 3.14Å; R375-G378 PolarHBondContact O-N 3.28Å; R375-L379 HydrophobicContact CG-CD1 4.42Å; R375-L379 WeakPolarHBondContact O-CG 3.32Å; R375-L379 PolarHBondContact O-N 3.09Å
376E89.9Confident89.7Confident45 Ų4574.7 Ų74.721%0.2139%0.386CS..Hα-helixtrans-65.9-42.1179.9-59.3-54.2143.200111.8C373 G378 L379 L380C373-E376 HydrophobicContact CB-CB 4.43Å; C373-E376 PolarHBondContact O-N 3.24Å; E376-G378 VanDerWaalsContact C-N 3.32Å; E376-G378 PolarHBondContact O-N 2.71Å; E376-L379 PolarHBondContact O-N 2.96Å; E376-L380 WeakPolarHBondContact O-CB 2.7Å; E376-L380 PolarHBondContact O-N 3.37Å
377F88.8Confident90.1Very high90 Ų9070.4 Ų70.440%0.39537%0.365SS..Hα-helixtrans-60.6-41.5171.6-87-72000112C373 L380 L381 I459C373-F377 HydrophobicContact CB-CD2 3.79Å; C373-F377 HydrophobicContact CB-CE2 3.98Å; C373-F377 WeakPolarHBondContact O-CD2 3.39Å; C373-F377 PolarHBondContact O-N 3.46Å; F377-L380 PolarHBondContact O-N 3.01Å; F377-L381 WeakPolarHBondContact O-CB 3.38Å; F377-L381 PolarHBondContact O-N 3.3Å; F377-I459 HydrophobicContact CD1-CD1 4.03Å; F377-I459 HydrophobicContact CD2-CD1 4.14Å; F377-I459 HydrophobicContact CD2-CG1 4.36Å; F377-I459 HydrophobicContact CE1-CD1 3.66Å; F377-I459 HydrophobicContact CE2-CD1 3.77Å; F377-I459 HydrophobicContact CE2-CG1 3.93Å; F377-I459 HydrophobicContact CE2-CG2 4.17Å; F377-I459 HydrophobicContact CG-CD1 4.26Å; F377-I459 HydrophobicContact CZ-CD1 3.52Å; F377-I459 HydrophobicContact CZ-CG1 4.11Å; F377-I459 HydrophobicContact CZ-CG2 4.09Å
378G90.6Very high90.6Very high39 Ų3969.1 Ų69.140%0.40235%0.347SS..Hα-helixtrans-62.7-42.7175.900000112.6T374 R375 E376 L381 L382T374-G378 PolarHBondContact O-N 2.82Å; R375-G378 PolarHBondContact O-N 3.28Å; E376-G378 VanDerWaalsContact C-N 3.32Å; E376-G378 PolarHBondContact O-N 2.71Å; G378-L381 PolarHBondContact O-N 3.33Å; G378-L382 WeakPolarHBondContact O-CB 3.33Å; G378-L382 PolarHBondContact O-N 2.88Å
379L90.3Very high91.2Very high58 Ų5869.1 Ų69.130%0.30435%0.354SS..Hα-helixtrans-66.3-42.5175.8-70.8174000112.1R375 E376 L381 L382 F383R375-L379 HydrophobicContact CG-CD1 4.42Å; R375-L379 WeakPolarHBondContact O-CG 3.32Å; R375-L379 PolarHBondContact O-N 3.09Å; E376-L379 PolarHBondContact O-N 2.96Å; L379-L381 PolarHBondContact O-N 3.18Å; L379-L382 PolarHBondContact O-N 3.29Å; L379-F383 WeakPolarHBondContact O-CD2 3.5Å; L379-F383 WeakPolarHBondContact O-CG 3.27Å; L379-F383 PolarHBondContact O-N 3.17Å
380L91.4Very high91.6Very high22 Ų2274.5 Ų74.512%0.11538%0.382CS..Hα-helixtrans-57.2-50.6174.517765.4000111.1E376 F377 L382 F383 L384 M452 P455E376-L380 WeakPolarHBondContact O-CB 2.7Å; E376-L380 PolarHBondContact O-N 3.37Å; F377-L380 PolarHBondContact O-N 3.01Å; L380-L382 VanDerWaalsContact C-N 3.33Å; L380-L382 PolarHBondContact O-N 3.05Å; L380-F383 PolarHBondContact O-N 3.43Å; L380-L384 VanDerWaalsContact O-CB 3.32Å; L380-L384 WeakPolarHBondContact O-CB 3.42Å; L380-L384 PolarHBondContact O-N 2.74Å; L380-M452 HydrophobicContact CD1-SD 3.68Å; L380-M452 HydrophobicContact CD2-SD 4.39Å; L380-M452 HydrophobicContact CG-SD 4.42Å; L380-P455 HydrophobicContact CB-CB 3.82Å; L380-P455 HydrophobicContact CB-CG 3.83Å; L380-P455 HydrophobicContact CD1-CB 3.99Å; L380-P455 HydrophobicContact CD1-CG 3.67Å; L380-P455 HydrophobicContact CD2-CB 4.19Å; L380-P455 HydrophobicContact CG-CB 4.21Å; L380-P455 HydrophobicContact CG-CG 4.25Å
381L92Very high92Very high108 Ų10873.8 Ų73.857%0.56537%0.37SS*.Hα-helixtrans-62.7-40.9179.4-176.863.4000111.4F377 G378 L379 L384 C385F377-L381 WeakPolarHBondContact O-CB 3.38Å; F377-L381 PolarHBondContact O-N 3.3Å; G378-L381 PolarHBondContact O-N 3.33Å; L379-L381 PolarHBondContact O-N 3.18Å; L381-L384 PolarHBondContact O-N 3.23Å; L381-C385 WeakPolarHBondContact O-CB 3.33Å; L381-C385 PolarHBondContact O-N 2.91Å; L381-C385 PolarHBondContact O-SG 3.33Å
382L93.2Very high92.4Very high98 Ų9864.5 Ų64.551%0.51334%0.335SS..Hα-helixtrans-59.8-50.9177179.667.3000111.5G378 L379 L380 L384 C385 V386G378-L382 WeakPolarHBondContact O-CB 3.33Å; G378-L382 PolarHBondContact O-N 2.88Å; L379-L382 PolarHBondContact O-N 3.29Å; L380-L382 VanDerWaalsContact C-N 3.33Å; L380-L382 PolarHBondContact O-N 3.05Å; L382-L384 VanDerWaalsContact C-N 3.35Å; L382-L384 PolarHBondContact O-N 3.23Å; L382-C385 PolarHBondContact O-N 3.49Å; L382-V386 WeakPolarHBondContact O-CG2 3.29Å; L382-V386 PolarHBondContact O-N 3.31Å
383F93Very high92.9Very high102 Ų10260.5 Ų60.545%0.44732%0.324SS..Hα-helixtrans-65.9-38179.9-65.6-36.7000112.6L379 L380 V386 A387 L451L379-F383 WeakPolarHBondContact O-CD2 3.5Å; L379-F383 WeakPolarHBondContact O-CG 3.27Å; L379-F383 PolarHBondContact O-N 3.17Å; L380-F383 PolarHBondContact O-N 3.43Å; F383-V386 PolarHBondContact O-N 2.99Å; F383-A387 WeakPolarHBondContact O-CB 3.3Å; F383-A387 PolarHBondContact O-N 3.08Å; F383-L451 HydrophobicContact CB-CD1 4.41Å; F383-L451 HydrophobicContact CB-CD2 3.86Å; F383-L451 HydrophobicContact CD2-CD2 4.41Å; F383-L451 HydrophobicContact CG-CD2 4.29Å
384L93.4Very high93.1Very high28 Ų2864.4 Ų64.415%0.14735%0.345CS..Hα-helixtrans-62-46.8174.7-173.967.7000111.2L380 L381 L382 V386 A387 I388 M422L380-L384 VanDerWaalsContact O-CB 3.32Å; L380-L384 WeakPolarHBondContact O-CB 3.42Å; L380-L384 PolarHBondContact O-N 2.74Å; L381-L384 PolarHBondContact O-N 3.23Å; L382-L384 VanDerWaalsContact C-N 3.35Å; L382-L384 PolarHBondContact O-N 3.23Å; L384-V386 PolarHBondContact O-N 2.71Å; L384-A387 PolarHBondContact O-N 3.38Å; L384-I388 HydrophobicContact CD1-CD1 4.2Å; L384-I388 HydrophobicContact CD2-CD1 4.42Å; L384-I388 HydrophobicContact CG-CD1 3.76Å; L384-I388 WeakPolarHBondContact O-CB 3.22Å; L384-I388 WeakPolarHBondContact O-CD1 3.34Å; L384-I388 VanDerWaalsContact O-CG1 3.24Å; L384-I388 WeakPolarHBondContact O-CG1 3.33Å; L384-I388 PolarHBondContact O-N 3.49Å; L384-M422 HydrophobicContact CD1-CB 4.17Å; L384-M422 HydrophobicContact CD1-CE 4.06Å; L384-M422 HydrophobicContact CD1-SD 4.22Å
385C95.1Very high93.4Very high66 Ų6660 Ų6045%0.44632%0.318SS..Hα-helixtrans-60.5-44.5176.8-75.10000112.4L381 L382 I388 A389L381-C385 WeakPolarHBondContact O-CB 3.33Å; L381-C385 PolarHBondContact O-N 2.91Å; L381-C385 PolarHBondContact O-SG 3.33Å; L382-C385 PolarHBondContact O-N 3.49Å; C385-I388 PolarHBondContact O-N 3.49Å; C385-A389 VanDerWaalsContact O-CB 3.3Å; C385-A389 WeakPolarHBondContact O-CB 3.46Å; C385-A389 PolarHBondContact O-N 2.98Å
386V95.8Very high93.7Very high77 Ų7753.8 Ų53.847%0.46730%0.295SS..Hα-helixtrans-61.6-46.5176.9170.10000110.6L382 F383 L384 A389 L390L382-V386 WeakPolarHBondContact O-CG2 3.29Å; L382-V386 PolarHBondContact O-N 3.31Å; F383-V386 PolarHBondContact O-N 2.99Å; L384-V386 PolarHBondContact O-N 2.71Å; V386-A389 PolarHBondContact O-N 3.42Å; V386-L390 HydrophobicContact CG1-CD1 4.03Å; V386-L390 VanDerWaalsContact O-CG 3.31Å; V386-L390 WeakPolarHBondContact O-CG 3.37Å; V386-L390 PolarHBondContact O-N 3.21Å; V386-L390 VanDerWaalsContact O-N 3.09Å
387A95.2Very high93.9Very high6 Ų655.6 Ų55.65%0.0531%0.308CS..Hα-helixtrans-65.7-42.1-179.700000112.5F383 L384 A389 L390 F391 M422 L451F383-A387 WeakPolarHBondContact O-CB 3.3Å; F383-A387 PolarHBondContact O-N 3.08Å; L384-A387 PolarHBondContact O-N 3.38Å; A387-A389 VanDerWaalsContact C-N 3.33Å; A387-A389 PolarHBondContact O-N 3.49Å; A387-L390 PolarHBondContact O-N 3.31Å; A387-L390 VanDerWaalsContact O-N 3.13Å; A387-F391 HydrophobicContact CB-CD2 4.25Å; A387-F391 HydrophobicContact CB-CE2 4.33Å; A387-F391 VanDerWaalsContact O-CD2 3.23Å; A387-F391 WeakPolarHBondContact O-CD2 3.45Å; A387-F391 PolarHBondContact O-N 3.37Å; A387-M422 HydrophobicContact CB-CE 3.22Å; A387-M422 HydrophobicContact CB-SD 3.75Å; A387-L451 HydrophobicContact CB-CD1 3.8Å
388I95.9Very high94Very high18 Ų1852.4 Ų52.49%0.09230%0.295CS..Hα-helixtrans-58.9-45.6173.5-70.6161.2000110.7L384 C385 L390 A392 Y415 A418 V419 M422L384-I388 HydrophobicContact CD1-CD1 4.2Å; L384-I388 HydrophobicContact CD2-CD1 4.42Å; L384-I388 HydrophobicContact CG-CD1 3.76Å; L384-I388 WeakPolarHBondContact O-CB 3.22Å; L384-I388 WeakPolarHBondContact O-CD1 3.34Å; L384-I388 VanDerWaalsContact O-CG1 3.24Å; L384-I388 WeakPolarHBondContact O-CG1 3.33Å; L384-I388 PolarHBondContact O-N 3.49Å; C385-I388 PolarHBondContact O-N 3.49Å; I388-L390 PolarHBondContact O-N 3.09Å; I388-A392 VanDerWaalsContact O-CB 3.22Å; I388-A392 WeakPolarHBondContact O-CB 3.5Å; I388-A392 PolarHBondContact O-N 3.14Å; I388-Y415 HydrophobicContact CG2-CD1 3.39Å; I388-Y415 HydrophobicContact CG2-CE1 4.11Å; I388-Y415 HydrophobicContact CG2-CG 3.91Å; I388-A418 HydrophobicContact CB-CB 4.39Å; I388-A418 HydrophobicContact CG1-CB 4.17Å; I388-A418 HydrophobicContact CG2-CB 4.09Å; I388-V419 HydrophobicContact CD1-CB 4.47Å; I388-V419 HydrophobicContact CD1-CG2 3.41Å; I388-V419 VanDerWaalsContact CD1-CG2 3.41Å; I388-V419 HydrophobicContact CG1-CG2 4.19Å; I388-M422 HydrophobicContact CG1-SD 3.95Å
389A96Very high94.1Very high48 Ų4850.5 Ų50.540%0.39728%0.276SS..Hα-helixtrans-65.3-20.2178.800000113.5C385 V386 A387 P393C385-A389 VanDerWaalsContact O-CB 3.3Å; C385-A389 WeakPolarHBondContact O-CB 3.46Å; C385-A389 PolarHBondContact O-N 2.98Å; V386-A389 PolarHBondContact O-N 3.42Å; A387-A389 VanDerWaalsContact C-N 3.33Å; A387-A389 PolarHBondContact O-N 3.49Å; A389-P393 WeakPolarHBondContact O-CD 3.48Å; A389-P393 VanDerWaalsContact O-CG 3.23Å; A389-P393 WeakPolarHBondContact O-CG 3.31Å
390L96.2Very high94Very high116 Ų11650.8 Ų50.861%0.60728%0.278SS*.Hα-helixtrans-91.4-49.6176-69.2173.8000112.6V386 A387 I388 L394V386-L390 HydrophobicContact CG1-CD1 4.03Å; V386-L390 VanDerWaalsContact O-CG 3.31Å; V386-L390 WeakPolarHBondContact O-CG 3.37Å; V386-L390 PolarHBondContact O-N 3.21Å; V386-L390 VanDerWaalsContact O-N 3.09Å; A387-L390 PolarHBondContact O-N 3.31Å; A387-L390 VanDerWaalsContact O-N 3.13Å; I388-L390 PolarHBondContact O-N 3.09Å; L390-L394 WeakPolarHBondContact O-CB 3.43Å
391F95.9Very high93.6Very high30 Ų3056.9 Ų56.913%0.13231%0.306CS..Hα-helixtrans-76.2-35.4-173.7-72.3-64.5000113.2A387 L394 L395 M422 V440A387-F391 HydrophobicContact CB-CD2 4.25Å; A387-F391 HydrophobicContact CB-CE2 4.33Å; A387-F391 VanDerWaalsContact O-CD2 3.23Å; A387-F391 WeakPolarHBondContact O-CD2 3.45Å; A387-F391 PolarHBondContact O-N 3.37Å; F391-L394 PolarHBondContact O-N 3.31Å; F391-L395 WeakPolarHBondContact O-CB 3.41Å; F391-L395 PolarHBondContact O-N 3.31Å; F391-M422 HydrophobicContact CD2-SD 4.41Å; F391-V440 HydrophobicContact CD1-CG1 4.24Å
392A96Very high93Very high0 Ų057.8 Ų57.80%031%0.309CS..Hα-helixtrans-67.3-47.9-177.200000113.5I388 L394 L395 Y396 C414 Y415 A418I388-A392 VanDerWaalsContact O-CB 3.22Å; I388-A392 WeakPolarHBondContact O-CB 3.5Å; I388-A392 PolarHBondContact O-N 3.14Å; A392-L394 VanDerWaalsContact C-N 3.32Å; A392-L394 PolarHBondContact O-N 2.96Å; A392-L395 PolarHBondContact O-N 2.98Å; A392-Y396 WeakPolarHBondContact O-CB 3.42Å; A392-Y396 PolarHBondContact O-N 3Å; A392-C414 HydrophobicContact CB-CB 3.82Å; A392-C414 WeakPolarHBondContact CB-O 3.16Å; A392-Y415 HydrophobicContact CB-CD1 3.44Å; A392-Y415 VanDerWaalsContact CB-CD1 3.44Å; A392-Y415 HydrophobicContact CB-CE1 3.86Å; A392-A418 HydrophobicContact CB-CB 4.01Å
393P95.4Very high92.1Very high34 Ų3454.9 Ų54.922%0.22130%0.299CS..Hα-helixtrans-66.3-35.5175.7-18.131.6000112.5A389 Y396 V397 I411A389-P393 WeakPolarHBondContact O-CD 3.48Å; A389-P393 VanDerWaalsContact O-CG 3.23Å; A389-P393 WeakPolarHBondContact O-CG 3.31Å; P393-Y396 PolarHBondContact O-N 2.88Å; P393-V397 WeakPolarHBondContact O-CG2 3.41Å; P393-V397 PolarHBondContact O-N 2.84Å; P393-I411 HydrophobicContact CB-CD1 4.28Å; P393-I411 HydrophobicContact CB-CG1 4.49Å; P393-I411 HydrophobicContact CB-CG2 4.29Å; P393-I411 HydrophobicContact CG-CG2 3.82Å
394L94.5Very high91.2Very high85 Ų8556.4 Ų56.445%0.44531%0.312SS..Hα-helixtrans-62.3-46177.718062000111.2L390 F391 A392 I398 V440L390-L394 WeakPolarHBondContact O-CB 3.43Å; F391-L394 PolarHBondContact O-N 3.31Å; A392-L394 VanDerWaalsContact C-N 3.32Å; A392-L394 PolarHBondContact O-N 2.96Å; L394-I398 HydrophobicContact CD1-CD1 4.06Å; L394-I398 HydrophobicContact CG-CD1 4.1Å; L394-I398 WeakPolarHBondContact O-CD1 3.48Å; L394-I398 WeakPolarHBondContact O-CG1 3.36Å; L394-I398 PolarHBondContact O-N 3.18Å; L394-V440 HydrophobicContact CD2-CG1 4.11Å; L394-V440 HydrophobicContact CD2-CG2 3.95Å; L394-V440 HydrophobicContact CG-CG1 4.31Å; L394-V440 HydrophobicContact CG-CG2 4.18Å
395L94.8Very high90.3Very high0 Ų055.5 Ų55.50%031%0.308CS..Hα-helixtrans-66.5-41.9177.2-168.475000111.7F391 A392 V397 I398 E399 F408 W417 P432 G437 V440F391-L395 WeakPolarHBondContact O-CB 3.41Å; F391-L395 PolarHBondContact O-N 3.31Å; A392-L395 PolarHBondContact O-N 2.98Å; L395-V397 VanDerWaalsContact C-N 3.34Å; L395-V397 PolarHBondContact O-N 3.42Å; L395-I398 PolarHBondContact O-N 3.49Å; L395-E399 HydrophobicContact CD1-CG 4.15Å; L395-E399 HydrophobicContact CG-CG 4.05Å; L395-E399 WeakPolarHBondContact O-CB 3.47Å; L395-E399 PolarHBondContact O-N 3.23Å; L395-F408 HydrophobicContact CD2-CD1 4.18Å; L395-F408 HydrophobicContact CD2-CE1 3.41Å; L395-F408 VanDerWaalsContact CD2-CE1 3.41Å; L395-F408 HydrophobicContact CD2-CZ 3.8Å; L395-F408 HydrophobicContact CG-CE1 4.32Å; L395-W417 HydrophobicContact CB-CZ3 4.19Å; L395-W417 HydrophobicContact CD2-CD2 3.52Å; L395-W417 HydrophobicContact CD2-CE3 3.46Å; L395-W417 VanDerWaalsContact CD2-CE3 3.46Å; L395-W417 HydrophobicContact CD2-CG 4.38Å; L395-W417 HydrophobicContact CD2-CH2 3.55Å; L395-W417 HydrophobicContact CD2-CZ2 3.57Å; L395-W417 HydrophobicContact CD2-CZ3 3.47Å; L395-W417 VanDerWaalsContact CD2-CZ3 3.47Å; L395-W417 HydrophobicContact CG-CH2 4.45Å; L395-W417 HydrophobicContact CG-CZ3 4.37Å; L395-P432 HydrophobicContact CD1-CB 3.94Å; L395-P432 HydrophobicContact CD1-CG 4.36Å; L395-P432 HydrophobicContact CD2-CB 4.34Å; L395-P432 HydrophobicContact CD2-CG 4.46Å; L395-G437 WeakPolarHBondContact CD1-O 3.31Å; L395-V440 HydrophobicContact CB-CG1 4.29Å; L395-V440 HydrophobicContact CD1-CB 4.09Å; L395-V440 HydrophobicContact CD1-CG1 4.04Å
396Y94.6Very high89.5Confident59 Ų5957.4 Ų57.423%0.23132%0.319CS..Hα-helixtrans-53.5-50.2176.5172.6-101.4000111.7A392 P393 I398 N400 F408 I411A392-Y396 WeakPolarHBondContact O-CB 3.42Å; A392-Y396 PolarHBondContact O-N 3Å; P393-Y396 PolarHBondContact O-N 2.88Å; Y396-I398 PolarHBondContact O-N 3.4Å; Y396-N400 WeakPolarHBondContact O-CB 3.47Å; Y396-N400 PolarHBondContact O-N 3.03Å; Y396-F408 WeakPolarHBondContact CD2-O 3.29Å; Y396-F408 VanDerWaalsContact CE2-O 3.26Å; Y396-F408 WeakPolarHBondContact CE2-O 3.37Å; Y396-I411 HydrophobicContact CD1-CD1 4.5Å; Y396-I411 HydrophobicContact CD1-CG1 3.84Å; Y396-I411 HydrophobicContact CE1-CG1 4.33Å; Y396-I411 HydrophobicContact CG-CG1 4.05Å
397V93Very high89Confident83 Ų8356.4 Ų56.450%0.50331%0.309SS..Hα-helixtrans-62.4-44.3-179.5172.70000111.1P393 L395 E401P393-V397 WeakPolarHBondContact O-CG2 3.41Å; P393-V397 PolarHBondContact O-N 2.84Å; L395-V397 VanDerWaalsContact C-N 3.34Å; L395-V397 PolarHBondContact O-N 3.42Å; V397-E401 HydrophobicContact CG1-CG 4.32Å; V397-E401 VanDerWaalsContact O-CB 3.29Å; V397-E401 WeakPolarHBondContact O-CB 3.42Å; V397-E401 WeakPolarHBondContact O-CG 3.2Å; V397-E401 PolarHBondContact O-N 3.49Å
398I92.8Very high88.6Confident23 Ų2356.1 Ų56.112%0.11831%0.307CS..Hα-helixtrans-65.1-49.2-178.5-70.4167000111.4L394 L395 Y396 M402 S434 P436 V440L394-I398 HydrophobicContact CD1-CD1 4.06Å; L394-I398 HydrophobicContact CG-CD1 4.1Å; L394-I398 WeakPolarHBondContact O-CD1 3.48Å; L394-I398 WeakPolarHBondContact O-CG1 3.36Å; L394-I398 PolarHBondContact O-N 3.18Å; L395-I398 PolarHBondContact O-N 3.49Å; Y396-I398 PolarHBondContact O-N 3.4Å; I398-M402 HydrophobicContact CG2-SD 3.94Å; I398-M402 VanDerWaalsContact O-CB 3.27Å; I398-M402 WeakPolarHBondContact O-CB 3.45Å; I398-M402 PolarHBondContact O-N 3.2Å; I398-S434 WeakPolarHBondContact CG2-OG 3.2Å; I398-P436 HydrophobicContact CG2-CB 3.94Å; I398-P436 HydrophobicContact CG2-CG 3.74Å; I398-V440 HydrophobicContact CD1-CG2 3.57Å
399E91.3Very high88.2Confident0 Ų060 Ų600%033%0.332CS..Hα-helixtrans-73.2-28.6-176.1-72.8-65.3136.900112.7L395 A403 D404 S405 F408 P432 R433 S434 G437L395-E399 HydrophobicContact CD1-CG 4.15Å; L395-E399 HydrophobicContact CG-CG 4.05Å; L395-E399 WeakPolarHBondContact O-CB 3.47Å; L395-E399 PolarHBondContact O-N 3.23Å; E399-A403 CarbonylContact O-C 3.59Å; E399-A403 PolarHBondContact O-N 3.03Å; E399-A403 WeakPolarHBondContact OE2-CB 3.46Å; E399-D404 PolarHBondContact O-N 3.44Å; E399-D404 VanDerWaalsContact O-N 3.15Å; E399-S405 PolarHBondContact O-OG 3.42Å; E399-F408 HydrophobicContact CB-CB 4.47Å; E399-F408 HydrophobicContact CB-CD2 3.98Å; E399-F408 HydrophobicContact CB-CE2 4.47Å; E399-F408 HydrophobicContact CB-CG 4.22Å; E399-F408 HydrophobicContact CG-CD2 4.13Å; E399-F408 HydrophobicContact CG-CE2 4.12Å; E399-P432 HydrophobicContact CG-CB 3.99Å; E399-P432 VanDerWaalsContact OE1-CB 3.26Å; E399-P432 WeakPolarHBondContact OE1-CB 3.34Å; E399-R433 PolarHBondContact OE1-N 2.87Å; E399-R433 PolarHBondContact OE2-N 2.99Å; E399-S434 VanDerWaalsContact OE1-CB 3.25Å; E399-S434 WeakPolarHBondContact OE1-CB 3.32Å; E399-S434 PolarHBondContact OE1-N 3.14Å; E399-S434 PolarHBondContact OE1-OG 2.69Å; E399-S434 PolarHBondContact OE2-N 3.24Å; E399-G437 WeakPolarHBondContact OE1-CA 3.37Å
400N87.8Confident88.1Confident64 Ų6459.9 Ų59.934%0.34233%0.328SS..Hα-helixtrans-75.7-38.5175-167.471.6000112Y396Y396-N400 WeakPolarHBondContact O-CB 3.47Å; Y396-N400 PolarHBondContact O-N 3.03Å
401E84.1Confident87.9Confident150 Ų15057.3 Ų57.370%0.70131%0.314SS*.Hα-helixtrans-80.1-32.1-179.8-68.9-75.8141.500113.4V397V397-E401 HydrophobicContact CG1-CG 4.32Å; V397-E401 VanDerWaalsContact O-CB 3.29Å; V397-E401 WeakPolarHBondContact O-CB 3.42Å; V397-E401 WeakPolarHBondContact O-CG 3.2Å; V397-E401 PolarHBondContact O-N 3.49Å
402M78.7Confident87.9Confident126 Ų12660.1 Ų60.162%0.62134%0.336SS*.Hα-helixtrans-111.5-25.3-167.8-60.9172.4-17600114.9I398 P436I398-M402 HydrophobicContact CG2-SD 3.94Å; I398-M402 VanDerWaalsContact O-CB 3.27Å; I398-M402 WeakPolarHBondContact O-CB 3.45Å; I398-M402 PolarHBondContact O-N 3.2Å; M402-P436 HydrophobicContact SD-CB 4.36Å; M402-P436 HydrophobicContact SD-CG 3.31Å; M402-P436 WeakPolarHBondContact SD-CG 3.4Å
403A74.1Confident87.7Confident38 Ų3861.5 Ų61.531%0.31435%0.347SS..SBendtrans-120.2-7.6-175.900000113.9E399 S405E399-A403 CarbonylContact O-C 3.59Å; E399-A403 PolarHBondContact O-N 3.03Å; E399-A403 WeakPolarHBondContact OE2-CB 3.46Å; A403-S405 PolarHBondContact O-N 3.2Å; A403-S405 VanDerWaalsContact O-N 3.13Å
404D74.5Confident87.7Confident134 Ų13459.9 Ų59.972%0.71734%0.337SS*.  trans4247-175.8-158.415.2000111.6E399E399-D404 PolarHBondContact O-N 3.44Å; E399-D404 VanDerWaalsContact O-N 3.15Å
405S75Confident87.7Confident8 Ų860.2 Ų60.26%0.05633%0.332CS..  trans-81.4123.6-16959.30000110.7E399 A403 E407 F408E399-S405 PolarHBondContact O-OG 3.42Å; A403-S405 PolarHBondContact O-N 3.2Å; A403-S405 VanDerWaalsContact O-N 3.13Å; S405-E407 PolarHBondContact O-N 2.79Å; S405-F408 PolarHBondContact O-N 3.14Å; S405-F408 VanDerWaalsContact OG-CD2 3.28Å; S405-F408 WeakPolarHBondContact OG-CD2 3.48Å
406P78.6Confident87.8Confident106 Ų10665.8 Ų65.869%0.68835%0.353SS*.THydrogen-bonded Turntrans-72.9-11.8-177.629.9-35.9000113.1T409P406-T409 VanDerWaalsContact O-CG2 3.29Å; P406-T409 WeakPolarHBondContact O-CG2 3.33Å
407E84.1Confident87.8Confident56 Ų5663.3 Ų63.326%0.26234%0.344SS..THydrogen-bonded Turntrans-74.2-35.9-179.1-65.7169.2-154.600111.3S405 T409 M430 V431 R433S405-E407 PolarHBondContact O-N 2.79Å; E407-T409 PolarHBondContact O-N 3.44Å; E407-T409 VanDerWaalsContact O-N 3.17Å; E407-M430 VanDerWaalsContact O-CE 3.29Å; E407-M430 WeakPolarHBondContact O-CE 3.32Å; E407-V431 PolarHBondContact OE2-N 3.34Å; E407-R433 IonicContact OE1-CZ 3.69Å; E407-R433 IonicContact OE1-NE 3.89Å; E407-R433 IonicContact OE1-NH2 2.78Å; E407-R433 PolarHBondContact OE1-NH2 3.17Å
408F86.9Confident88Confident1 Ų159.3 Ų59.30%0.00432%0.32CS..  trans-93.163.6-176-65.1-85.9000111.9L395 Y396 E399 S405 S410 W417 M430 P432L395-F408 HydrophobicContact CD2-CD1 4.18Å; L395-F408 HydrophobicContact CD2-CE1 3.41Å; L395-F408 VanDerWaalsContact CD2-CE1 3.41Å; L395-F408 HydrophobicContact CD2-CZ 3.8Å; L395-F408 HydrophobicContact CG-CE1 4.32Å; Y396-F408 WeakPolarHBondContact CD2-O 3.29Å; Y396-F408 VanDerWaalsContact CE2-O 3.26Å; Y396-F408 WeakPolarHBondContact CE2-O 3.37Å; E399-F408 HydrophobicContact CB-CB 4.47Å; E399-F408 HydrophobicContact CB-CD2 3.98Å; E399-F408 HydrophobicContact CB-CE2 4.47Å; E399-F408 HydrophobicContact CB-CG 4.22Å; E399-F408 HydrophobicContact CG-CD2 4.13Å; E399-F408 HydrophobicContact CG-CE2 4.12Å; S405-F408 PolarHBondContact O-N 3.14Å; S405-F408 VanDerWaalsContact OG-CD2 3.28Å; S405-F408 WeakPolarHBondContact OG-CD2 3.48Å; F408-S410 PolarHBondContact O-N 3Å; F408-W417 HydrophobicContact CE1-CB 4.35Å; F408-W417 HydrophobicContact CE1-CD2 4.34Å; F408-W417 HydrophobicContact CE1-CG 4Å; F408-M430 HydrophobicContact CD1-CE 3.54Å; F408-M430 HydrophobicContact CE1-CB 4.41Å; F408-M430 HydrophobicContact CE1-CE 3.74Å; F408-M430 HydrophobicContact CG-CE 4.11Å; F408-M430 HydrophobicContact CZ-CB 4.28Å; F408-M430 HydrophobicContact CZ-CE 4.48Å; F408-P432 HydrophobicContact CZ-CB 4.45Å
409T88.5Confident88.1Confident99 Ų9960.8 Ų60.861%0.60733%0.33SS*.  trans-68.6-30.7-171.555.80000115.7P406 E407P406-T409 VanDerWaalsContact O-CG2 3.29Å; P406-T409 WeakPolarHBondContact O-CG2 3.33Å; E407-T409 PolarHBondContact O-N 3.44Å; E407-T409 VanDerWaalsContact O-N 3.17Å
410S92.4Very high88.3Confident46 Ų4661.1 Ų61.132%0.32233%0.331SS..  trans-160.3158.7-175.865.20000111.8F408 A413 C414F408-S410 PolarHBondContact O-N 3Å; S410-A413 WeakPolarHBondContact O-CB 3.49Å; S410-A413 PolarHBondContact O-N 2.98Å; S410-A413 VanDerWaalsContact O-N 3.1Å; S410-A413 WeakPolarHBondContact OG-CB 3.37Å; S410-A413 PolarHBondContact OG-N 3.38Å; S410-C414 PolarHBondContact O-N 3.19Å; S410-C414 PolarHBondContact O-SG 3.38Å
411I94Very high88.7Confident62 Ų6258.9 Ų58.932%0.31832%0.32SS..Hα-helixtrans-56.8-44.9177.2-61171.7000112.2P393 Y396 A413 C414 Y415P393-I411 HydrophobicContact CB-CD1 4.28Å; P393-I411 HydrophobicContact CB-CG1 4.49Å; P393-I411 HydrophobicContact CB-CG2 4.29Å; P393-I411 HydrophobicContact CG-CG2 3.82Å; Y396-I411 HydrophobicContact CD1-CD1 4.5Å; Y396-I411 HydrophobicContact CD1-CG1 3.84Å; Y396-I411 HydrophobicContact CE1-CG1 4.33Å; Y396-I411 HydrophobicContact CG-CG1 4.05Å; I411-A413 VanDerWaalsContact C-N 3.31Å; I411-A413 PolarHBondContact O-N 2.85Å; I411-C414 CarbonylContact O-C 3.58Å; I411-C414 WeakPolarHBondContact O-CA 3.23Å; I411-C414 WeakPolarHBondContact O-CB 3.34Å; I411-C414 PolarHBondContact O-N 3.06Å; I411-Y415 HydrophobicContact CG2-CE1 3.91Å; I411-Y415 PolarHBondContact O-N 3.29Å
412P94.7Very high89.2Confident89 Ų8951.8 Ų51.858%0.57829%0.287SS*.Hα-helixtrans-62.4-34.2175.6-24.936.5000114C414 Y415P412-C414 VanDerWaalsContact C-N 3.3Å; P412-Y415 HydrophobicContact CB-CD2 4.42Å; P412-Y415 WeakPolarHBondContact O-CB 3.39Å; P412-Y415 PolarHBondContact O-N 2.94Å
413A92.4Very high89.9Confident29 Ų2947.8 Ų47.824%0.2427%0.27CS..Hα-helixtrans-65.6-36.3171.700000111.2S410 I411 Y415 W416S410-A413 WeakPolarHBondContact O-CB 3.49Å; S410-A413 PolarHBondContact O-N 2.98Å; S410-A413 VanDerWaalsContact O-N 3.1Å; S410-A413 WeakPolarHBondContact OG-CB 3.37Å; S410-A413 PolarHBondContact OG-N 3.38Å; I411-A413 VanDerWaalsContact C-N 3.31Å; I411-A413 PolarHBondContact O-N 2.85Å; A413-Y415 VanDerWaalsContact C-N 3.26Å; A413-Y415 PolarHBondContact O-N 3.43Å; A413-W416 WeakPolarHBondContact O-CB 3.29Å; A413-W416 PolarHBondContact O-N 3.33Å
414C94.3Very high90.8Very high0 Ų050.6 Ų50.60%028%0.283CS..Hα-helixtrans-68.5-22.1174.9-57.60000113.1A392 S410 I411 P412 W416 W417 A418A392-C414 HydrophobicContact CB-CB 3.82Å; A392-C414 WeakPolarHBondContact CB-O 3.16Å; S410-C414 PolarHBondContact O-N 3.19Å; S410-C414 PolarHBondContact O-SG 3.38Å; I411-C414 CarbonylContact O-C 3.58Å; I411-C414 WeakPolarHBondContact O-CA 3.23Å; I411-C414 WeakPolarHBondContact O-CB 3.34Å; I411-C414 PolarHBondContact O-N 3.06Å; P412-C414 VanDerWaalsContact C-N 3.3Å; C414-W416 VanDerWaalsContact C-N 3.29Å; C414-W416 PolarHBondContact O-N 2.82Å; C414-W417 PolarHBondContact O-N 3.4Å; C414-A418 WeakPolarHBondContact O-CB 3.39Å; C414-A418 PolarHBondContact O-N 3.22Å
415Y96.2Very high91.9Very high91 Ų9147.9 Ų47.936%0.35727%0.271SS..Hα-helixtrans-63.1-37.2170.9-65.3-29000111.9I388 A392 I411 P412 A413 A418 V419I388-Y415 HydrophobicContact CG2-CD1 3.39Å; I388-Y415 HydrophobicContact CG2-CE1 4.11Å; I388-Y415 HydrophobicContact CG2-CG 3.91Å; A392-Y415 HydrophobicContact CB-CD1 3.44Å; A392-Y415 VanDerWaalsContact CB-CD1 3.44Å; A392-Y415 HydrophobicContact CB-CE1 3.86Å; I411-Y415 HydrophobicContact CG2-CE1 3.91Å; I411-Y415 PolarHBondContact O-N 3.29Å; P412-Y415 HydrophobicContact CB-CD2 4.42Å; P412-Y415 WeakPolarHBondContact O-CB 3.39Å; P412-Y415 PolarHBondContact O-N 2.94Å; A413-Y415 VanDerWaalsContact C-N 3.26Å; A413-Y415 PolarHBondContact O-N 3.43Å; Y415-A418 PolarHBondContact O-N 3.16Å; Y415-V419 WeakPolarHBondContact O-CB 3.4Å; Y415-V419 VanDerWaalsContact O-CG2 3.22Å; Y415-V419 WeakPolarHBondContact O-CG2 3.27Å; Y415-V419 PolarHBondContact O-N 3.49Å
416W95.8Very high92.8Very high117 Ų11749.8 Ų49.844%0.44329%0.292SS..Hα-helixtrans-59.1-50.6173.6169.5-109.8000110.7A413 C414 A418 V419 I420 Y427 D429A413-W416 WeakPolarHBondContact O-CB 3.29Å; A413-W416 PolarHBondContact O-N 3.33Å; C414-W416 VanDerWaalsContact C-N 3.29Å; C414-W416 PolarHBondContact O-N 2.82Å; W416-A418 VanDerWaalsContact C-N 3.34Å; W416-A418 PolarHBondContact O-N 3.49Å; W416-V419 PolarHBondContact O-N 3.45Å; W416-I420 HydrophobicContact CD2-CG2 4.06Å; W416-I420 HydrophobicContact CE3-CG2 4.1Å; W416-I420 HydrophobicContact CH2-CG2 3.91Å; W416-I420 HydrophobicContact CZ2-CG2 3.83Å; W416-I420 HydrophobicContact CZ3-CG2 4.03Å; W416-I420 WeakPolarHBondContact O-CG1 3.08Å; W416-I420 PolarHBondContact O-N 3.07Å; W416-Y427 HydrophobicContact CH2-CD2 4.19Å; W416-Y427 AromaticContact CH2-CE2 3.72Å; W416-Y427 HydrophobicContact CH2-CE2 3.72Å; W416-Y427 AromaticContact CZ2-CD2 3.65Å; W416-Y427 HydrophobicContact CZ2-CD2 3.65Å; W416-Y427 AromaticContact CZ2-CE2 3.67Å; W416-Y427 HydrophobicContact CZ2-CE2 3.67Å; W416-D429 PolarHBondContact NE1-OD2 3.2Å
417W95.6Very high93.6Very high7 Ų752.1 Ų52.13%0.02729%0.288CS..Hα-helixtrans-55.5-46.4174.4172.883000112.5L395 F408 C414 I420 T421 M430 P432 A441 S444L395-W417 HydrophobicContact CB-CZ3 4.19Å; L395-W417 HydrophobicContact CD2-CD2 3.52Å; L395-W417 HydrophobicContact CD2-CE3 3.46Å; L395-W417 VanDerWaalsContact CD2-CE3 3.46Å; L395-W417 HydrophobicContact CD2-CG 4.38Å; L395-W417 HydrophobicContact CD2-CH2 3.55Å; L395-W417 HydrophobicContact CD2-CZ2 3.57Å; L395-W417 HydrophobicContact CD2-CZ3 3.47Å; L395-W417 VanDerWaalsContact CD2-CZ3 3.47Å; L395-W417 HydrophobicContact CG-CH2 4.45Å; L395-W417 HydrophobicContact CG-CZ3 4.37Å; F408-W417 HydrophobicContact CE1-CB 4.35Å; F408-W417 HydrophobicContact CE1-CD2 4.34Å; F408-W417 HydrophobicContact CE1-CG 4Å; C414-W417 PolarHBondContact O-N 3.4Å; W417-I420 VanDerWaalsContact O-CG1 3.27Å; W417-I420 WeakPolarHBondContact O-CG1 3.46Å; W417-I420 PolarHBondContact O-N 3.19Å; W417-T421 HydrophobicContact CH2-CG2 4.37Å; W417-T421 HydrophobicContact CZ2-CG2 3.97Å; W417-T421 PolarHBondContact NE1-OG1 2.85Å; W417-T421 WeakPolarHBondContact O-CB 3.44Å; W417-T421 PolarHBondContact O-N 3.41Å; W417-T421 PolarHBondContact O-OG1 2.89Å; W417-M430 HydrophobicContact CB-CB 4.32Å; W417-M430 HydrophobicContact CB-CE 4.24Å; W417-M430 HydrophobicContact CB-SD 4.22Å; W417-M430 HydrophobicContact CG-CB 4.48Å; W417-P432 HydrophobicContact CZ2-CG 4.49Å; W417-A441 HydrophobicContact CH2-CB 4.31Å; W417-A441 HydrophobicContact CZ2-CB 3.86Å; W417-S444 WeakPolarHBondContact CH2-OG 3.29Å
418A95.7Very high94Very high0 Ų052 Ų520%030%0.302CS..Hα-helixtrans-65.2-42.4-17900000111.9I388 A392 C414 Y415 W416 T421 M422I388-A418 HydrophobicContact CB-CB 4.39Å; I388-A418 HydrophobicContact CG1-CB 4.17Å; I388-A418 HydrophobicContact CG2-CB 4.09Å; A392-A418 HydrophobicContact CB-CB 4.01Å; C414-A418 WeakPolarHBondContact O-CB 3.39Å; C414-A418 PolarHBondContact O-N 3.22Å; Y415-A418 PolarHBondContact O-N 3.16Å; W416-A418 VanDerWaalsContact C-N 3.34Å; W416-A418 PolarHBondContact O-N 3.49Å; A418-T421 PolarHBondContact O-N 3.18Å; A418-M422 WeakPolarHBondContact O-CB 3.38Å; A418-M422 WeakPolarHBondContact O-CG 3.09Å; A418-M422 PolarHBondContact O-N 3.15Å
419V95.6Very high94.2Very high54 Ų5455.7 Ų55.733%0.32732%0.321SS..Hα-helixtrans-59.5-53176.5170.30000110.7I388 Y415 W416 T421 T423I388-V419 HydrophobicContact CD1-CB 4.47Å; I388-V419 HydrophobicContact CD1-CG2 3.41Å; I388-V419 VanDerWaalsContact CD1-CG2 3.41Å; I388-V419 HydrophobicContact CG1-CG2 4.19Å; Y415-V419 WeakPolarHBondContact O-CB 3.4Å; Y415-V419 VanDerWaalsContact O-CG2 3.22Å; Y415-V419 WeakPolarHBondContact O-CG2 3.27Å; Y415-V419 PolarHBondContact O-N 3.49Å; W416-V419 PolarHBondContact O-N 3.45Å; V419-T421 VanDerWaalsContact C-N 3.3Å; V419-T421 PolarHBondContact O-N 2.92Å; V419-T423 WeakPolarHBondContact O-CB 3.33Å; V419-T423 VanDerWaalsContact O-CG2 3.32Å; V419-T423 WeakPolarHBondContact O-CG2 3.47Å; V419-T423 PolarHBondContact O-N 2.93Å; V419-T423 PolarHBondContact O-OG1 3.32Å
420I95.6Very high94.4Very high6 Ų652 Ų523%0.03130%0.297CS..Hα-helixtrans-68.8-30.2-175.866.7179.6000112.2W416 W417 T423 T424 V425 G426 Y427 D429W416-I420 HydrophobicContact CD2-CG2 4.06Å; W416-I420 HydrophobicContact CE3-CG2 4.1Å; W416-I420 HydrophobicContact CH2-CG2 3.91Å; W416-I420 HydrophobicContact CZ2-CG2 3.83Å; W416-I420 HydrophobicContact CZ3-CG2 4.03Å; W416-I420 WeakPolarHBondContact O-CG1 3.08Å; W416-I420 PolarHBondContact O-N 3.07Å; W417-I420 VanDerWaalsContact O-CG1 3.27Å; W417-I420 WeakPolarHBondContact O-CG1 3.46Å; W417-I420 PolarHBondContact O-N 3.19Å; I420-T423 PolarHBondContact O-OG1 3.49Å; I420-T424 PolarHBondContact O-N 3.48Å; I420-V425 HydrophobicContact CB-CB 4.36Å; I420-V425 PolarHBondContact O-N 3.46Å; I420-G426 PolarHBondContact O-N 2.84Å; I420-G426 VanDerWaalsContact O-N 3.09Å; I420-Y427 HydrophobicContact CB-CD2 4.36Å; I420-Y427 HydrophobicContact CD1-CD2 4.2Å; I420-Y427 HydrophobicContact CG2-CD2 3.89Å; I420-Y427 HydrophobicContact CG2-CE2 3.94Å; I420-D429 WeakPolarHBondContact CD1-OD1 3.34Å
421T95.4Very high94.4Very high17 Ų1753.3 Ų53.310%0.10430%0.303CS..Hα-helixtrans-76.8-47.7179.1-59.70000111.1W417 A418 V419 T423 T424 I445W417-T421 HydrophobicContact CH2-CG2 4.37Å; W417-T421 HydrophobicContact CZ2-CG2 3.97Å; W417-T421 PolarHBondContact NE1-OG1 2.85Å; W417-T421 WeakPolarHBondContact O-CB 3.44Å; W417-T421 PolarHBondContact O-N 3.41Å; W417-T421 PolarHBondContact O-OG1 2.89Å; A418-T421 PolarHBondContact O-N 3.18Å; V419-T421 VanDerWaalsContact C-N 3.3Å; V419-T421 PolarHBondContact O-N 2.92Å; T421-T423 VanDerWaalsContact C-N 3.3Å; T421-T423 PolarHBondContact O-N 3.33Å; T421-T424 PolarHBondContact O-N 3.21Å; T421-I445 HydrophobicContact CG2-CD1 4.09Å; T421-I445 HydrophobicContact CG2-CG1 3.39Å
422M94.3Very high94.3Very high1 Ų150.9 Ų50.91%0.00529%0.292CS..Hα-helixtrans-66.8-31.6178.9-72.4-171.674.900113L384 A387 I388 F391 A418 T424 G448 L451L384-M422 HydrophobicContact CD1-CB 4.17Å; L384-M422 HydrophobicContact CD1-CE 4.06Å; L384-M422 HydrophobicContact CD1-SD 4.22Å; A387-M422 HydrophobicContact CB-CE 3.22Å; A387-M422 HydrophobicContact CB-SD 3.75Å; I388-M422 HydrophobicContact CG1-SD 3.95Å; F391-M422 HydrophobicContact CD2-SD 4.41Å; A418-M422 WeakPolarHBondContact O-CB 3.38Å; A418-M422 WeakPolarHBondContact O-CG 3.09Å; A418-M422 PolarHBondContact O-N 3.15Å; M422-T424 PolarHBondContact O-N 3.04Å; M422-G448 WeakPolarHBondContact O-CA 3.38Å; M422-L451 HydrophobicContact CE-CD1 3.81Å
423T94Very high94.1Very high43 Ų4354.3 Ų54.326%0.26429%0.293SS..THydrogen-bonded Turntrans-84.1417457.30000113.2V419 I420 T421 V425V419-T423 WeakPolarHBondContact O-CB 3.33Å; V419-T423 VanDerWaalsContact O-CG2 3.32Å; V419-T423 WeakPolarHBondContact O-CG2 3.47Å; V419-T423 PolarHBondContact O-N 2.93Å; V419-T423 PolarHBondContact O-OG1 3.32Å; I420-T423 PolarHBondContact O-OG1 3.49Å; T421-T423 VanDerWaalsContact C-N 3.3Å; T421-T423 PolarHBondContact O-N 3.33Å; T423-V425 PolarHBondContact O-N 3.47Å
424T94.3Very high94.1Very high97 Ų9753.5 Ų53.560%0.59529%0.286SS*.THydrogen-bonded Turntrans61.521178.367.50000115I420 T421 M422 I449I420-T424 PolarHBondContact O-N 3.48Å; T421-T424 PolarHBondContact O-N 3.21Å; M422-T424 PolarHBondContact O-N 3.04Å; T424-I449 HydrophobicContact CG2-CD1 4.45Å; T424-I449 HydrophobicContact CG2-CG1 3.88Å
425V96.1Very high94Very high76 Ų7658.7 Ų58.746%0.46132%0.318SS..  trans-76-52.8176.4176.80000111I420 T423 Y427I420-V425 HydrophobicContact CB-CB 4.36Å; I420-V425 PolarHBondContact O-N 3.46Å; T423-V425 PolarHBondContact O-N 3.47Å; V425-Y427 HydrophobicContact CG1-CD1 4.15Å; V425-Y427 HydrophobicContact CG1-CD2 4.03Å; V425-Y427 HydrophobicContact CG1-CE1 3.78Å; V425-Y427 HydrophobicContact CG1-CE2 3.64Å; V425-Y427 HydrophobicContact CG1-CG 4.26Å
426G94.3Very high93.9Very high48 Ų4856.5 Ų56.550%0.49531%0.314SS..  trans53.763.8172.200000115.6I420 G428I420-G426 PolarHBondContact O-N 2.84Å; I420-G426 VanDerWaalsContact O-N 3.09Å; G426-G428 PolarHBondContact O-N 3.28Å; G426-G428 VanDerWaalsContact O-N 3.14Å
427Y94.6Very high93.7Very high156 Ų15650.9 Ų50.961%0.61229%0.293SS*.  trans-58.9-25.3177.9-67.4-63.8000114.1W416 I420 V425W416-Y427 HydrophobicContact CH2-CD2 4.19Å; W416-Y427 AromaticContact CH2-CE2 3.72Å; W416-Y427 HydrophobicContact CH2-CE2 3.72Å; W416-Y427 AromaticContact CZ2-CD2 3.65Å; W416-Y427 HydrophobicContact CZ2-CD2 3.65Å; W416-Y427 AromaticContact CZ2-CE2 3.67Å; W416-Y427 HydrophobicContact CZ2-CE2 3.67Å; I420-Y427 HydrophobicContact CB-CD2 4.36Å; I420-Y427 HydrophobicContact CD1-CD2 4.2Å; I420-Y427 HydrophobicContact CG2-CD2 3.89Å; I420-Y427 HydrophobicContact CG2-CE2 3.94Å; V425-Y427 HydrophobicContact CG1-CD1 4.15Å; V425-Y427 HydrophobicContact CG1-CD2 4.03Å; V425-Y427 HydrophobicContact CG1-CE1 3.78Å; V425-Y427 HydrophobicContact CG1-CE2 3.64Å; V425-Y427 HydrophobicContact CG1-CG 4.26Å
428G92.7Very high93.7Very high53 Ų5355.6 Ų55.655%0.54632%0.315SS..SBendtrans81.613.517900000114.3G426G426-G428 PolarHBondContact O-N 3.28Å; G426-G428 VanDerWaalsContact O-N 3.14Å
429D91.9Very high93.7Very high78 Ų7860.2 Ų60.242%0.41734%0.343SS..SBendtrans-76-24175.759.5-38.3000113.4W416 I420W416-D429 PolarHBondContact NE1-OD2 3.2Å; I420-D429 WeakPolarHBondContact CD1-OD1 3.34Å
430M91.6Very high93.7Very high21 Ų2158.4 Ų58.410%0.10333%0.333CS..SBendtrans-134.3120.8172.4-61.6179.363.700109.2E407 F408 W417E407-M430 VanDerWaalsContact O-CE 3.29Å; E407-M430 WeakPolarHBondContact O-CE 3.32Å; F408-M430 HydrophobicContact CD1-CE 3.54Å; F408-M430 HydrophobicContact CE1-CB 4.41Å; F408-M430 HydrophobicContact CE1-CE 3.74Å; F408-M430 HydrophobicContact CG-CE 4.11Å; F408-M430 HydrophobicContact CZ-CB 4.28Å; F408-M430 HydrophobicContact CZ-CE 4.48Å; W417-M430 HydrophobicContact CB-CB 4.32Å; W417-M430 HydrophobicContact CB-CE 4.24Å; W417-M430 HydrophobicContact CB-SD 4.22Å; W417-M430 HydrophobicContact CG-CB 4.48Å
431V92.8Very high93.6Very high74 Ų7458.7 Ų58.745%0.44834%0.336SS..  trans-137126.3-177.5-175.40000110.9E407 R433E407-V431 PolarHBondContact OE2-N 3.34Å; V431-R433 PolarHBondContact O-N 3.3Å
432P92.8Very high93.7Very high11 Ų1163.7 Ų63.77%0.07136%0.361CS..  trans-67.8132.8178.925.5-29.9000111.2L395 E399 F408 W417 A441L395-P432 HydrophobicContact CD1-CB 3.94Å; L395-P432 HydrophobicContact CD1-CG 4.36Å; L395-P432 HydrophobicContact CD2-CB 4.34Å; L395-P432 HydrophobicContact CD2-CG 4.46Å; E399-P432 HydrophobicContact CG-CB 3.99Å; E399-P432 VanDerWaalsContact OE1-CB 3.26Å; E399-P432 WeakPolarHBondContact OE1-CB 3.34Å; F408-P432 HydrophobicContact CZ-CB 4.45Å; W417-P432 HydrophobicContact CZ2-CG 4.49Å; P432-A441 HydrophobicContact CG-CB 3.77Å
433R89.7Confident93.7Very high162 Ų16266.5 Ų66.561%0.61138%0.381SS*.  trans-103.1-23.7-175.6-60.2-169.4-174.2-173.54.2112.2E399 E407 V431E399-R433 PolarHBondContact OE1-N 2.87Å; E399-R433 PolarHBondContact OE2-N 2.99Å; E407-R433 IonicContact OE1-CZ 3.69Å; E407-R433 IonicContact OE1-NE 3.89Å; E407-R433 IonicContact OE1-NH2 2.78Å; E407-R433 PolarHBondContact OE1-NH2 3.17Å; V431-R433 PolarHBondContact O-N 3.3Å
434S92.2Very high93.8Very high12 Ų1264.5 Ų64.58%0.08437%0.369CS..SBendtrans-73.7147.1177.676.40000111.2I398 E399 G437 Q438I398-S434 WeakPolarHBondContact CG2-OG 3.2Å; E399-S434 VanDerWaalsContact OE1-CB 3.25Å; E399-S434 WeakPolarHBondContact OE1-CB 3.32Å; E399-S434 PolarHBondContact OE1-N 3.14Å; E399-S434 PolarHBondContact OE1-OG 2.69Å; E399-S434 PolarHBondContact OE2-N 3.24Å; S434-G437 PolarHBondContact O-N 3.11Å; S434-G437 WeakPolarHBondContact OG-CA 3.32Å; S434-G437 PolarHBondContact OG-N 3.24Å; S434-Q438 WeakPolarHBondContact O-CG 3.35Å; S434-Q438 PolarHBondContact O-N 3.23Å
435T92.8Very high93.9Very high109 Ų10963 Ų6367%0.66936%0.356SS*.Hα-helixtrans-58.8-43.8173.949.90000113.2Q438 V439T435-Q438 PolarHBondContact O-N 2.91Å; T435-V439 PolarHBondContact O-N 2.9Å
436P93.2Very high93.9Very high44 Ų4464.6 Ų64.629%0.28636%0.362SS..Hα-helixtrans-67-33.9173.322.6-31.7000113.2I398 M402 Q438 V439 V440I398-P436 HydrophobicContact CG2-CB 3.94Å; I398-P436 HydrophobicContact CG2-CG 3.74Å; M402-P436 HydrophobicContact SD-CB 4.36Å; M402-P436 HydrophobicContact SD-CG 3.31Å; M402-P436 WeakPolarHBondContact SD-CG 3.4Å; P436-Q438 VanDerWaalsContact C-N 3.33Å; P436-Q438 PolarHBondContact O-N 2.94Å; P436-V439 WeakPolarHBondContact O-CB 3.45Å; P436-V439 PolarHBondContact O-N 2.86Å; P436-V440 PolarHBondContact O-N 3.5Å
437G93.5Very high93.9Very high0 Ų063.8 Ų63.80%035%0.348CS..Hα-helixtrans-64.4-38174.900000112.2L395 E399 S434 V439 V440 A441L395-G437 WeakPolarHBondContact CD1-O 3.31Å; E399-G437 WeakPolarHBondContact OE1-CA 3.37Å; S434-G437 PolarHBondContact O-N 3.11Å; S434-G437 WeakPolarHBondContact OG-CA 3.32Å; S434-G437 PolarHBondContact OG-N 3.24Å; G437-V439 VanDerWaalsContact C-N 3.34Å; G437-V439 PolarHBondContact O-N 3.03Å; G437-V440 PolarHBondContact O-N 2.91Å; G437-A441 WeakPolarHBondContact O-CB 3.35Å; G437-A441 PolarHBondContact O-N 3.15Å
438Q94.6Very high93.9Very high105 Ų10556.3 Ų56.349%0.49132%0.319SS..Hα-helixtrans-63.4-36.6172-71.1172.62.500112.7S434 T435 P436 A441 L442S434-Q438 WeakPolarHBondContact O-CG 3.35Å; S434-Q438 PolarHBondContact O-N 3.23Å; T435-Q438 PolarHBondContact O-N 2.91Å; P436-Q438 VanDerWaalsContact C-N 3.33Å; P436-Q438 PolarHBondContact O-N 2.94Å; Q438-A441 WeakPolarHBondContact O-CB 3.36Å; Q438-A441 PolarHBondContact O-N 3.04Å; Q438-L442 WeakPolarHBondContact O-CB 3.37Å; Q438-L442 PolarHBondContact O-N 3.23Å
439V95.9Very high93.9Very high97 Ų9758 Ų5859%0.58831%0.314SS*.Hα-helixtrans-66.2-42.5174.2174.50000111T435 P436 G437 A441 L442 S443T435-V439 PolarHBondContact O-N 2.9Å; P436-V439 WeakPolarHBondContact O-CB 3.45Å; P436-V439 PolarHBondContact O-N 2.86Å; G437-V439 VanDerWaalsContact C-N 3.34Å; G437-V439 PolarHBondContact O-N 3.03Å; V439-A441 VanDerWaalsContact C-N 3.34Å; V439-L442 PolarHBondContact O-N 3.41Å; V439-S443 PolarHBondContact O-N 3.5Å
440V95.3Very high93.9Very high17 Ų1759.8 Ų59.810%0.10332%0.323CS..Hα-helixtrans-63.9-41.1174.5172.20000111.1F391 L394 L395 I398 P436 G437 S443 S444F391-V440 HydrophobicContact CD1-CG1 4.24Å; L394-V440 HydrophobicContact CD2-CG1 4.11Å; L394-V440 HydrophobicContact CD2-CG2 3.95Å; L394-V440 HydrophobicContact CG-CG1 4.31Å; L394-V440 HydrophobicContact CG-CG2 4.18Å; L395-V440 HydrophobicContact CB-CG1 4.29Å; L395-V440 HydrophobicContact CD1-CB 4.09Å; L395-V440 HydrophobicContact CD1-CG1 4.04Å; I398-V440 HydrophobicContact CD1-CG2 3.57Å; P436-V440 PolarHBondContact O-N 3.5Å; G437-V440 PolarHBondContact O-N 2.91Å; V440-S443 PolarHBondContact O-N 3.49Å; V440-S444 WeakPolarHBondContact O-CB 3.32Å; V440-S444 PolarHBondContact O-N 2.98Å
441A94.6Very high93.9Very high12 Ų1260.9 Ų60.910%0.09933%0.33CS..Hα-helixtrans-59.1-48.8174.700000111.5W417 P432 G437 Q438 V439 S443 S444 I445W417-A441 HydrophobicContact CH2-CB 4.31Å; W417-A441 HydrophobicContact CZ2-CB 3.86Å; P432-A441 HydrophobicContact CG-CB 3.77Å; G437-A441 WeakPolarHBondContact O-CB 3.35Å; G437-A441 PolarHBondContact O-N 3.15Å; Q438-A441 WeakPolarHBondContact O-CB 3.36Å; Q438-A441 PolarHBondContact O-N 3.04Å; V439-A441 VanDerWaalsContact C-N 3.34Å; A441-S443 VanDerWaalsContact C-N 3.32Å; A441-S443 PolarHBondContact O-N 2.84Å; A441-S444 PolarHBondContact O-N 3.21Å; A441-S444 VanDerWaalsContact O-N 3.15Å; A441-S444 PolarHBondContact O-OG 3.38Å; A441-I445 VanDerWaalsContact O-CG1 3.31Å; A441-I445 WeakPolarHBondContact O-CG1 3.27Å; A441-I445 PolarHBondContact O-N 3.43Å
442L95.9Very high93.8Very high121 Ų12160 Ų6063%0.63432%0.322SS*.Hα-helixtrans-57.6-44.9176.5-177.967.6000111.8Q438 V439 I445 L446Q438-L442 WeakPolarHBondContact O-CB 3.37Å; Q438-L442 PolarHBondContact O-N 3.23Å; V439-L442 PolarHBondContact O-N 3.41Å; L442-I445 PolarHBondContact O-N 3.43Å; L442-L446 PolarHBondContact O-N 2.93Å; L442-L446 VanDerWaalsContact O-N 3.07Å
443S95.4Very high93.6Very high61 Ų6162 Ų6243%0.42734%0.339SS..Hα-helixtrans-61.6-42.7176.3-174.70000112.1V439 V440 A441 L446 S447V439-S443 PolarHBondContact O-N 3.5Å; V440-S443 PolarHBondContact O-N 3.49Å; A441-S443 VanDerWaalsContact C-N 3.32Å; A441-S443 PolarHBondContact O-N 2.84Å; S443-L446 PolarHBondContact O-N 3.24Å; S443-S447 WeakPolarHBondContact O-CB 3.2Å; S443-S447 PolarHBondContact O-N 3.04Å
444S95.9Very high93.4Very high0 Ų061 Ų610%034%0.339CS..Hα-helixtrans-65.2-39.7178.679.70000112.7W417 V440 A441 S447 G448W417-S444 WeakPolarHBondContact CH2-OG 3.29Å; V440-S444 WeakPolarHBondContact O-CB 3.32Å; V440-S444 PolarHBondContact O-N 2.98Å; A441-S444 PolarHBondContact O-N 3.21Å; A441-S444 VanDerWaalsContact O-N 3.15Å; A441-S444 PolarHBondContact O-OG 3.38Å; S444-S447 PolarHBondContact O-N 3.43Å; S444-G448 PolarHBondContact O-N 3.49Å
445I96.2Very high93.1Very high66 Ų6660.6 Ų60.634%0.33834%0.336SS..Hα-helixtrans-64.9-48.8177.4-66.7164.3000109.6T421 A441 L442 S447 G448 I449T421-I445 HydrophobicContact CG2-CD1 4.09Å; T421-I445 HydrophobicContact CG2-CG1 3.39Å; A441-I445 VanDerWaalsContact O-CG1 3.31Å; A441-I445 WeakPolarHBondContact O-CG1 3.27Å; A441-I445 PolarHBondContact O-N 3.43Å; L442-I445 PolarHBondContact O-N 3.43Å; I445-S447 VanDerWaalsContact C-N 3.32Å; I445-S447 PolarHBondContact O-N 2.9Å; I445-G448 PolarHBondContact O-N 3.32Å; I445-I449 HydrophobicContact CG2-CD1 3.93Å; I445-I449 WeakPolarHBondContact O-CG1 3.4Å; I445-I449 PolarHBondContact O-N 3.47Å
446L95.6Very high92.9Very high109 Ų10959.2 Ų59.257%0.57133%0.327SS*.Hα-helixtrans-60.9-43.5178.9-176.564.3000111.3L442 S443 L450L442-L446 PolarHBondContact O-N 2.93Å; L442-L446 VanDerWaalsContact O-N 3.07Å; S443-L446 PolarHBondContact O-N 3.24Å; L446-L450 HydrophobicContact CG-CD1 4.29Å; L446-L450 VanDerWaalsContact O-CG 3.32Å; L446-L450 WeakPolarHBondContact O-CG 3.2Å; L446-L450 PolarHBondContact O-N 3.44Å; L446-L450 VanDerWaalsContact O-N 3.17Å
447S94.1Very high92.8Very high31 Ų3160.8 Ų60.822%0.21734%0.336CS..Hα-helixtrans-61.8-45.3175.4-177.30000111.8S443 S444 I445 I449 L450 L451S443-S447 WeakPolarHBondContact O-CB 3.2Å; S443-S447 PolarHBondContact O-N 3.04Å; S444-S447 PolarHBondContact O-N 3.43Å; I445-S447 VanDerWaalsContact C-N 3.32Å; I445-S447 PolarHBondContact O-N 2.9Å; S447-I449 PolarHBondContact O-N 2.63Å; S447-L450 PolarHBondContact O-N 3.49Å; S447-L451 WeakPolarHBondContact O-CB 3.35Å; S447-L451 VanDerWaalsContact O-CG 3.26Å; S447-L451 WeakPolarHBondContact O-CG 3.46Å; S447-L451 PolarHBondContact O-N 3.4Å
448G94.2Very high92.5Very high0 Ų062.4 Ų62.40%035%0.347CS..Hα-helixtrans-59.3-46.5177.900000113.2M422 S444 I445 L450 L451 M452M422-G448 WeakPolarHBondContact O-CA 3.38Å; S444-G448 PolarHBondContact O-N 3.49Å; I445-G448 PolarHBondContact O-N 3.32Å; G448-L450 PolarHBondContact O-N 2.95Å; G448-L451 PolarHBondContact O-N 3.46Å; G448-M452 WeakPolarHBondContact O-CB 3.22Å; G448-M452 WeakPolarHBondContact O-CG 3.48Å; G448-M452 PolarHBondContact O-N 3.24Å
449I93.9Very high92.2Very high87 Ų8758.8 Ų58.845%0.44633%0.331SS..Hα-helixtrans-59.4-46.7177.2-66.5167000110.9T424 I445 S447 M452 A453T424-I449 HydrophobicContact CG2-CD1 4.45Å; T424-I449 HydrophobicContact CG2-CG1 3.88Å; I445-I449 HydrophobicContact CG2-CD1 3.93Å; I445-I449 WeakPolarHBondContact O-CG1 3.4Å; I445-I449 PolarHBondContact O-N 3.47Å; S447-I449 PolarHBondContact O-N 2.63Å; I449-M452 PolarHBondContact O-N 3.5Å; I449-A453 WeakPolarHBondContact O-CB 3.26Å; I449-A453 PolarHBondContact O-N 2.96Å
450L92Very high91.9Very high116 Ų11660.3 Ų60.361%0.60733%0.33SS*.Hα-helixtrans-65.6-42.6-179.8-69.1172.8000112.3L446 S447 G448 A453L446-L450 HydrophobicContact CG-CD1 4.29Å; L446-L450 VanDerWaalsContact O-CG 3.32Å; L446-L450 WeakPolarHBondContact O-CG 3.2Å; L446-L450 PolarHBondContact O-N 3.44Å; L446-L450 VanDerWaalsContact O-N 3.17Å; S447-L450 PolarHBondContact O-N 3.49Å; G448-L450 PolarHBondContact O-N 2.95Å; L450-A453 PolarHBondContact O-N 3.35Å
451L91.3Very high91.6Very high44 Ų4464.7 Ų64.723%0.2335%0.349CS..Hα-helixtrans-66.4-37.2179.2-73.5177.8000112.4F383 A387 M422 S447 G448 P455F383-L451 HydrophobicContact CB-CD1 4.41Å; F383-L451 HydrophobicContact CB-CD2 3.86Å; F383-L451 HydrophobicContact CD2-CD2 4.41Å; F383-L451 HydrophobicContact CG-CD2 4.29Å; A387-L451 HydrophobicContact CB-CD1 3.8Å; M422-L451 HydrophobicContact CE-CD1 3.81Å; S447-L451 WeakPolarHBondContact O-CB 3.35Å; S447-L451 VanDerWaalsContact O-CG 3.26Å; S447-L451 WeakPolarHBondContact O-CG 3.46Å; S447-L451 PolarHBondContact O-N 3.4Å; G448-L451 PolarHBondContact O-N 3.46Å; L451-P455 WeakPolarHBondContact O-CD 3.42Å
452M90.1Very high91.2Very high57 Ų5765.9 Ų65.928%0.28136%0.356SS..Hα-helixtrans-76.9-32.3179.3-65.4-70.4-75.800112.2L380 G448 I449 F454 V456L380-M452 HydrophobicContact CD1-SD 3.68Å; L380-M452 HydrophobicContact CD2-SD 4.39Å; L380-M452 HydrophobicContact CG-SD 4.42Å; G448-M452 WeakPolarHBondContact O-CB 3.22Å; G448-M452 WeakPolarHBondContact O-CG 3.48Å; G448-M452 PolarHBondContact O-N 3.24Å; I449-M452 PolarHBondContact O-N 3.5Å; M452-F454 PolarHBondContact O-N 2.9Å; M452-V456 VanDerWaalsContact O-CB 3.29Å; M452-V456 WeakPolarHBondContact O-CB 3.24Å; M452-V456 WeakPolarHBondContact O-CG2 3.33Å; M452-V456 PolarHBondContact O-N 2.99Å
453A90.3Very high90.9Very high52 Ų5262.9 Ų62.943%0.4334%0.337SS..Hα-helixtrans-60.8-44.9-173.900000113.9I449 L450 T457I449-A453 WeakPolarHBondContact O-CB 3.26Å; I449-A453 PolarHBondContact O-N 2.96Å; L450-A453 PolarHBondContact O-N 3.35Å; A453-T457 WeakPolarHBondContact O-CG2 3.38Å; A453-T457 PolarHBondContact O-N 2.87Å; A453-T457 PolarHBondContact O-OG1 3.41Å
454F84.4Confident90.6Very high141 Ų14161.4 Ų61.462%0.61833%0.327SS*.Hα-helixtrans-68.2-52.2-174.9174.5-92.2000112.9M452 V456 T457 S458M452-F454 PolarHBondContact O-N 2.9Å; F454-V456 PolarHBondContact O-N 3.14Å; F454-T457 PolarHBondContact O-N 3.05Å; F454-T457 PolarHBondContact O-OG1 3.48Å; F454-S458 PolarHBondContact O-N 3.43Å
455P86.5Confident90.1Very high4 Ų468.9 Ų68.93%0.02636%0.355CS..Hα-helixtrans-66.3-36.1179-25.539.6000112.8L380 L451 T457 S458 I459L380-P455 HydrophobicContact CB-CB 3.82Å; L380-P455 HydrophobicContact CB-CG 3.83Å; L380-P455 HydrophobicContact CD1-CB 3.99Å; L380-P455 HydrophobicContact CD1-CG 3.67Å; L380-P455 HydrophobicContact CD2-CB 4.19Å; L380-P455 HydrophobicContact CG-CB 4.21Å; L380-P455 HydrophobicContact CG-CG 4.25Å; L451-P455 WeakPolarHBondContact O-CD 3.42Å; P455-T457 VanDerWaalsContact C-N 3.35Å; P455-T457 PolarHBondContact O-N 3.38Å; P455-S458 PolarHBondContact O-N 3.31Å; P455-I459 HydrophobicContact CB-CD1 4.47Å; P455-I459 WeakPolarHBondContact O-CB 3.3Å; P455-I459 WeakPolarHBondContact O-CD1 3.31Å; P455-I459 WeakPolarHBondContact O-CG1 3.36Å; P455-I459 PolarHBondContact O-N 2.96Å
456V88.8Confident89.5Confident79 Ų7965.8 Ų65.848%0.47934%0.339SS..Hα-helixtrans-60.2-44.1177.9169.50000111.4M452 F454 I459 F460M452-V456 VanDerWaalsContact O-CB 3.29Å; M452-V456 WeakPolarHBondContact O-CB 3.24Å; M452-V456 WeakPolarHBondContact O-CG2 3.33Å; M452-V456 PolarHBondContact O-N 2.99Å; F454-V456 PolarHBondContact O-N 3.14Å; V456-I459 PolarHBondContact O-N 3.09Å; V456-F460 WeakPolarHBondContact O-CB 3.45Å; V456-F460 PolarHBondContact O-N 3.17Å
457T89.9Confident89.1Confident77 Ų7764.9 Ų64.947%0.47233%0.329SS..Hα-helixtrans-65.8-41.7177.253.60000112.3A453 F454 P455 F460 H461A453-T457 WeakPolarHBondContact O-CG2 3.38Å; A453-T457 PolarHBondContact O-N 2.87Å; A453-T457 PolarHBondContact O-OG1 3.41Å; F454-T457 PolarHBondContact O-N 3.05Å; F454-T457 PolarHBondContact O-OG1 3.48Å; P455-T457 VanDerWaalsContact C-N 3.35Å; P455-T457 PolarHBondContact O-N 3.38Å; T457-F460 PolarHBondContact O-N 3.43Å; T457-H461 PolarHBondContact O-CD2 3.49Å; T457-H461 PolarHBondContact O-N 3.39Å
458S87.3Confident88.7Confident34 Ų3466.4 Ų66.424%0.23833%0.334CS..Hα-helixtrans-62.7-44.5175.6-1770000112.8F454 P455 F460 H461 T462F454-S458 PolarHBondContact O-N 3.43Å; P455-S458 PolarHBondContact O-N 3.31Å; S458-F460 VanDerWaalsContact C-N 3.33Å; S458-F460 PolarHBondContact O-N 3.31Å; S458-H461 PolarHBondContact O-N 3.29Å; S458-T462 PolarHBondContact O-N 2.88Å; S458-T462 PolarHBondContact O-OG1 3.46Å
459I89.4Confident88.1Confident30 Ų3068.7 Ų68.715%0.15435%0.345CS..Hα-helixtrans-61.5-43.8175.3-67.8159.7000110.1T369 C373 F377 P455 V456 H461 T462 F463T369-I459 HydrophobicContact CG2-CG2 4.39Å; C373-I459 HydrophobicContact CB-CG1 4.16Å; F377-I459 HydrophobicContact CD1-CD1 4.03Å; F377-I459 HydrophobicContact CD2-CD1 4.14Å; F377-I459 HydrophobicContact CD2-CG1 4.36Å; F377-I459 HydrophobicContact CE1-CD1 3.66Å; F377-I459 HydrophobicContact CE2-CD1 3.77Å; F377-I459 HydrophobicContact CE2-CG1 3.93Å; F377-I459 HydrophobicContact CE2-CG2 4.17Å; F377-I459 HydrophobicContact CG-CD1 4.26Å; F377-I459 HydrophobicContact CZ-CD1 3.52Å; F377-I459 HydrophobicContact CZ-CG1 4.11Å; F377-I459 HydrophobicContact CZ-CG2 4.09Å; P455-I459 HydrophobicContact CB-CD1 4.47Å; P455-I459 WeakPolarHBondContact O-CB 3.3Å; P455-I459 WeakPolarHBondContact O-CD1 3.31Å; P455-I459 WeakPolarHBondContact O-CG1 3.36Å; P455-I459 PolarHBondContact O-N 2.96Å; V456-I459 PolarHBondContact O-N 3.09Å; I459-H461 PolarHBondContact O-N 3.07Å; I459-T462 PolarHBondContact O-N 3.23Å; I459-F463 WeakPolarHBondContact O-CB 3.47Å; I459-F463 PolarHBondContact O-N 3Å
460F89.6Confident87.5Confident128 Ų12866 Ų6656%0.56133%0.332SS*.Hα-helixtrans-61.4-44177.7176.5-99.2000112.4V456 T457 S458 T462 F463 S464V456-F460 WeakPolarHBondContact O-CB 3.45Å; V456-F460 PolarHBondContact O-N 3.17Å; T457-F460 PolarHBondContact O-N 3.43Å; S458-F460 VanDerWaalsContact C-N 3.33Å; S458-F460 PolarHBondContact O-N 3.31Å; F460-T462 PolarHBondContact O-N 3.49Å; F460-F463 WeakPolarHBondContact O-CB 3.47Å; F460-F463 PolarHBondContact O-N 2.75Å; F460-S464 WeakPolarHBondContact O-CB 3.33Å; F460-S464 PolarHBondContact O-N 2.9Å
461H87.8Confident87.1Confident109 Ų10964.8 Ų64.851%0.50532%0.321SS..Hα-helixtrans-62.8-43176.3-84.3-66.9000112.2T457 S458 I459 F463 S464 R465T457-H461 PolarHBondContact O-CD2 3.49Å; T457-H461 PolarHBondContact O-N 3.39Å; S458-H461 PolarHBondContact O-N 3.29Å; I459-H461 PolarHBondContact O-N 3.07Å; H461-F463 VanDerWaalsContact C-N 3.33Å; H461-F463 PolarHBondContact O-N 3.02Å; H461-S464 PolarHBondContact O-N 2.86Å; H461-R465 PolarHBondContact O-N 3.49Å
462T87.1Confident86.7Confident38 Ų3867.2 Ų67.223%0.23333%0.331CS..Hα-helixtrans-67.1-36.6177.7-52.50000111.6T369 R372 C373 S458 I459 F460 S466T369-T462 HydrophobicContact CG2-CG2 4.21Å; R372-T462 HydrophobicContact CB-CG2 4.03Å; C373-T462 WeakPolarHBondContact SG-CB 3.29Å; C373-T462 WeakPolarHBondContact SG-CG2 3.17Å; C373-T462 PolarHBondContact SG-OG1 3.39Å; S458-T462 PolarHBondContact O-N 2.88Å; S458-T462 PolarHBondContact O-OG1 3.46Å; I459-T462 PolarHBondContact O-N 3.23Å; F460-T462 PolarHBondContact O-N 3.49Å; T462-S466 VanDerWaalsContact O-CB 3.3Å; T462-S466 WeakPolarHBondContact O-CB 3.42Å; T462-S466 PolarHBondContact O-N 3.17Å; T462-S466 PolarHBondContact O-OG 2.89Å
463F89.1Confident86Confident57 Ų5769.4 Ų69.425%0.2534%0.341CS..Hα-helixtrans-60.7-51.8172.9177-100000111.3T365 L366 T369 I459 F460 H461 R465 S466 Y467T365-F463 HydrophobicContact CG2-CD2 3.77Å; T365-F463 HydrophobicContact CG2-CE2 3.56Å; T365-F463 HydrophobicContact CG2-CZ 4.26Å; L366-F463 HydrophobicContact CD2-CD2 3.81Å; L366-F463 HydrophobicContact CD2-CE2 3.61Å; L366-F463 HydrophobicContact CG-CD2 4.43Å; L366-F463 HydrophobicContact CG-CE2 3.86Å; T369-F463 HydrophobicContact CG2-CB 3.83Å; T369-F463 WeakPolarHBondContact OG1-CA 3.35Å; I459-F463 WeakPolarHBondContact O-CB 3.47Å; I459-F463 PolarHBondContact O-N 3Å; F460-F463 WeakPolarHBondContact O-CB 3.47Å; F460-F463 PolarHBondContact O-N 2.75Å; H461-F463 VanDerWaalsContact C-N 3.33Å; H461-F463 PolarHBondContact O-N 3.02Å; F463-R465 VanDerWaalsContact C-N 3.33Å; F463-R465 PolarHBondContact O-N 2.97Å; F463-S466 PolarHBondContact O-N 3.5Å; F463-Y467 VanDerWaalsContact O-CB 3.31Å; F463-Y467 WeakPolarHBondContact O-CB 3.49Å; F463-Y467 PolarHBondContact O-N 3.36Å
464S88.8Confident85.3Confident30 Ų3071.7 Ų71.721%0.2134%0.343CS..Hα-helixtrans-57.9-46-179.8-176.50000111.5F460 H461 Y467 L468F460-S464 WeakPolarHBondContact O-CB 3.33Å; F460-S464 PolarHBondContact O-N 2.9Å; H461-S464 PolarHBondContact O-N 2.86Å; S464-Y467 WeakPolarHBondContact O-CB 3.48Å; S464-Y467 PolarHBondContact O-N 3.49Å; S464-L468 WeakPolarHBondContact O-CG 3.35Å; S464-L468 PolarHBondContact O-N 2.95Å
465R84.9Confident84.9Confident158 Ų15869.6 Ų69.660%0.59634%0.335SS*.Hα-helixtrans-61.2-50.1175.6-178.8177.8173.2172.33112H461 F463 Y467 L468 E469H461-R465 PolarHBondContact O-N 3.49Å; F463-R465 VanDerWaalsContact C-N 3.33Å; F463-R465 PolarHBondContact O-N 2.97Å; R465-Y467 PolarHBondContact O-N 3.31Å; R465-L468 PolarHBondContact O-N 3.43Å; R465-E469 HydrophobicContact CG-CG 4.44Å; R465-E469 WeakPolarHBondContact CG-OE1 3.44Å; R465-E469 IonicContact CZ-OE1 2.65Å; R465-E469 IonicContact NE-OE1 3.29Å; R465-E469 PolarHBondContact NE-OE1 3.38Å; R465-E469 IonicContact NH2-OE1 3.63Å; R465-E469 WeakPolarHBondContact O-CG 3.46Å; R465-E469 PolarHBondContact O-N 2.96Å
466S84.8Confident84.4Confident0 Ų074.6 Ų74.60%035%0.353CS..Hα-helixtrans-63.8-32.3-179.5-54.20000112.1R372 T462 F463 L470R372-S466 PolarHBondContact NH1-OG 2.89Å; T462-S466 VanDerWaalsContact O-CB 3.3Å; T462-S466 WeakPolarHBondContact O-CB 3.42Å; T462-S466 PolarHBondContact O-N 3.17Å; T462-S466 PolarHBondContact O-OG 2.89Å; F463-S466 PolarHBondContact O-N 3.5Å; S466-L470 WeakPolarHBondContact O-CB 3.22Å; S466-L470 WeakPolarHBondContact O-CG 3.23Å; S466-L470 PolarHBondContact O-N 3.15Å; S466-L470 VanDerWaalsContact O-N 3.14Å
467Y86.3Confident83.5Confident91 Ų9173.6 Ų73.636%0.35735%0.347SS..Hα-helixtrans-66.2-49.2174.8-179.3-103.2000111.4L361 T365 F463 S464 R465 L470 K471L361-Y467 HydrophobicContact CD2-CE2 4.26Å; T365-Y467 HydrophobicContact CG2-CD2 4.39Å; F463-Y467 VanDerWaalsContact O-CB 3.31Å; F463-Y467 WeakPolarHBondContact O-CB 3.49Å; F463-Y467 PolarHBondContact O-N 3.36Å; S464-Y467 WeakPolarHBondContact O-CB 3.48Å; S464-Y467 PolarHBondContact O-N 3.49Å; R465-Y467 PolarHBondContact O-N 3.31Å; Y467-L470 PolarHBondContact O-N 3.48Å; Y467-K471 HydrophobicContact CE1-CD 4.41Å; Y467-K471 VanDerWaalsContact O-CB 3.28Å; Y467-K471 WeakPolarHBondContact O-CB 3.31Å; Y467-K471 PolarHBondContact O-N 3.44Å
468L85.9Confident82.6Confident62 Ų6275.6 Ų75.633%0.32535%0.353SS..Hα-helixtrans-64.2-42.8179.4-70173.7000111.7Y13 S464 R465 K471 Q472Y13-L468 HydrophobicContact CD2-CD1 4.35Å; Y13-L468 HydrophobicContact CE2-CD1 4.1Å; S464-L468 WeakPolarHBondContact O-CG 3.35Å; S464-L468 PolarHBondContact O-N 2.95Å; R465-L468 PolarHBondContact O-N 3.43Å; L468-K471 PolarHBondContact O-N 3.41Å; L468-Q472 WeakPolarHBondContact O-CB 3.2Å; L468-Q472 VanDerWaalsContact O-CG 3.3Å; L468-Q472 WeakPolarHBondContact O-CG 3.23Å; L468-Q472 PolarHBondContact O-N 3.34Å
469E82.1Confident81.9Confident49 Ų4980 Ų8023%0.22937%0.368CS..Hα-helixtrans-56.9-54.3175.3-75.2171.6-176.400111.1R372 R465 K471 Q472 E473R372-E469 IonicContact CZ-OE2 2.65Å; R372-E469 IonicContact NH1-OE2 3.19Å; R372-E469 PolarHBondContact NH1-OE2 2.96Å; R372-E469 IonicContact NH2-OE2 3.36Å; R372-E469 PolarHBondContact NH2-OE2 2.73Å; R465-E469 HydrophobicContact CG-CG 4.44Å; R465-E469 WeakPolarHBondContact CG-OE1 3.44Å; R465-E469 IonicContact CZ-OE1 2.65Å; R465-E469 IonicContact NE-OE1 3.29Å; R465-E469 PolarHBondContact NE-OE1 3.38Å; R465-E469 IonicContact NH2-OE1 3.63Å; R465-E469 WeakPolarHBondContact O-CG 3.46Å; R465-E469 PolarHBondContact O-N 2.96Å; E469-K471 VanDerWaalsContact C-N 3.31Å; E469-K471 PolarHBondContact O-N 3.37Å; E469-Q472 PolarHBondContact O-N 2.74Å; E469-E473 WeakPolarHBondContact O-CG 3.49Å; E469-E473 PolarHBondContact O-N 2.91Å
470L80.9Confident80.9Confident31 Ų3182.5 Ų82.516%0.16238%0.375CS..Hα-helixtrans-63.4-36.5179.7-76.1169.1000112.8L361 T365 L368 S466 Y467 Q474L361-L470 HydrophobicContact CD1-CB 4.09Å; L361-L470 HydrophobicContact CD1-CD1 4.48Å; T365-L470 HydrophobicContact CG2-CD1 4.44Å; T365-L470 WeakPolarHBondContact OG1-CD1 3.4Å; L368-L470 HydrophobicContact CD2-CD1 3.89Å; L368-L470 HydrophobicContact CD2-CD2 4.45Å; L368-L470 HydrophobicContact CD2-CG 4.22Å; S466-L470 WeakPolarHBondContact O-CB 3.22Å; S466-L470 WeakPolarHBondContact O-CG 3.23Å; S466-L470 PolarHBondContact O-N 3.15Å; S466-L470 VanDerWaalsContact O-N 3.14Å; Y467-L470 PolarHBondContact O-N 3.48Å; L470-Q474 WeakPolarHBondContact O-CG 3.45Å; L470-Q474 PolarHBondContact O-N 3.07Å
471K83.6Confident79.6Confident89 Ų8981.5 Ų81.539%0.38737%0.368SS..Hα-helixtrans-64.3-44.7176.2-171.6-171.5178-152.80110.9Y467 L468 E469 Q474 E475Y467-K471 HydrophobicContact CE1-CD 4.41Å; Y467-K471 VanDerWaalsContact O-CB 3.28Å; Y467-K471 WeakPolarHBondContact O-CB 3.31Å; Y467-K471 PolarHBondContact O-N 3.44Å; L468-K471 PolarHBondContact O-N 3.41Å; E469-K471 VanDerWaalsContact C-N 3.31Å; E469-K471 PolarHBondContact O-N 3.37Å; K471-Q474 PolarHBondContact O-N 3.31Å; K471-E475 WeakPolarHBondContact CE-OE1 3.26Å; K471-E475 IonicContact NZ-OE1 3.54Å; K471-E475 WeakPolarHBondContact O-CG 3.28Å; K471-E475 PolarHBondContact O-N 2.86Å
472Q82.9Confident78.7Confident96 Ų9678.6 Ų78.645%0.44936%0.362SS..Hα-helixtrans-65.1-41.5177.4-74.9177.4-6.900111.9L468 E469 Q474 E475 R476L468-Q472 WeakPolarHBondContact O-CB 3.2Å; L468-Q472 VanDerWaalsContact O-CG 3.3Å; L468-Q472 WeakPolarHBondContact O-CG 3.23Å; L468-Q472 PolarHBondContact O-N 3.34Å; E469-Q472 PolarHBondContact O-N 2.74Å; Q472-Q474 VanDerWaalsContact C-N 3.34Å; Q472-Q474 PolarHBondContact O-N 3.45Å; Q472-E475 PolarHBondContact O-N 2.92Å; Q472-R476 WeakPolarHBondContact O-CB 3.44Å; Q472-R476 VanDerWaalsContact O-CG 3.29Å; Q472-R476 WeakPolarHBondContact O-CG 3.26Å; Q472-R476 PolarHBondContact O-N 3.24Å
473E75.8Confident77.9Confident103 Ų10381.2 Ų81.248%0.48137%0.372SS..Hα-helixtrans-58-46.3173.9-74.9176.5177.900111.3E469 E475 R476 V477E469-E473 WeakPolarHBondContact O-CG 3.49Å; E469-E473 PolarHBondContact O-N 2.91Å; E473-E475 PolarHBondContact O-N 3.35Å; E473-R476 PolarHBondContact O-N 3.06Å; E473-V477 VanDerWaalsContact O-CG2 3.31Å; E473-V477 WeakPolarHBondContact O-CG2 3.39Å; E473-V477 PolarHBondContact O-N 2.98Å
474Q75.5Confident76.8Confident99 Ų9983.8 Ų83.846%0.46338%0.384SS..Hα-helixtrans-60.2-43.8175.2-75.2-169.6-1600112.6L470 K471 Q472 M478L470-Q474 WeakPolarHBondContact O-CG 3.45Å; L470-Q474 PolarHBondContact O-N 3.07Å; K471-Q474 PolarHBondContact O-N 3.31Å; Q472-Q474 VanDerWaalsContact C-N 3.34Å; Q472-Q474 PolarHBondContact O-N 3.45Å; Q474-M478 WeakPolarHBondContact O-CG 3.37Å; Q474-M478 PolarHBondContact O-N 3.03Å
475E76.4Confident75.7Confident97 Ų9788.1 Ų88.145%0.45340%0.403SS..Hα-helixtrans-64.9-41.9177.8-74.1174.7-177.800112.1K471 Q472 E473 M478 F479K471-E475 WeakPolarHBondContact CE-OE1 3.26Å; K471-E475 IonicContact NZ-OE1 3.54Å; K471-E475 WeakPolarHBondContact O-CG 3.28Å; K471-E475 PolarHBondContact O-N 2.86Å; Q472-E475 PolarHBondContact O-N 2.92Å; E473-E475 PolarHBondContact O-N 3.35Å; E475-M478 PolarHBondContact O-N 3.07Å; E475-F479 WeakPolarHBondContact O-CB 3.45Å; E475-F479 PolarHBondContact O-N 3.13Å
476R75.6Confident74.9Confident109 Ų10986 Ų8641%0.41140%0.403SS..Hα-helixtrans-61.9-46.2176.2-74.1176.6-169.8170.84.8111.6Q472 E473 M478 F479 R480Q472-R476 WeakPolarHBondContact O-CB 3.44Å; Q472-R476 VanDerWaalsContact O-CG 3.29Å; Q472-R476 WeakPolarHBondContact O-CG 3.26Å; Q472-R476 PolarHBondContact O-N 3.24Å; E473-R476 PolarHBondContact O-N 3.06Å; R476-M478 VanDerWaalsContact C-N 3.29Å; R476-M478 PolarHBondContact O-N 2.88Å; R476-F479 PolarHBondContact O-N 3.45Å; R476-F479 VanDerWaalsContact O-N 3.16Å; R476-R480 WeakPolarHBondContact O-CG 3.29Å; R476-R480 PolarHBondContact O-N 3.38Å
477V70.1Confident74.1Confident58 Ų5892.5 Ų92.535%0.35243%0.431SS..Hα-helixtrans-60.6-40.8176.3171.60000110.8E473 R481E473-V477 VanDerWaalsContact O-CG2 3.31Å; E473-V477 WeakPolarHBondContact O-CG2 3.39Å; E473-V477 PolarHBondContact O-N 2.98Å; V477-R481 WeakPolarHBondContact O-CB 3.43Å; V477-R481 WeakPolarHBondContact O-CG 3.39Å; V477-R481 PolarHBondContact O-N 3.38Å
478M70.6Confident72.9Confident120 Ų12091 Ų9159%0.59143%0.431SS*.Hα-helixtrans-64.7-42.2174.4-71.8-143.5-70.500112.4Q474 E475 R476 R481 A482Q474-M478 WeakPolarHBondContact O-CG 3.37Å; Q474-M478 PolarHBondContact O-N 3.03Å; E475-M478 PolarHBondContact O-N 3.07Å; R476-M478 VanDerWaalsContact C-N 3.29Å; R476-M478 PolarHBondContact O-N 2.88Å; M478-R481 PolarHBondContact O-N 3.24Å; M478-A482 PolarHBondContact O-N 3.3Å
479F73.6Confident71.9Confident127 Ų12795.8 Ų95.856%0.55745%0.45SS*.Hα-helixtrans-66.8-48.2180-177.2-99.4000112.9E475 R476 R481 A482 Q483E475-F479 WeakPolarHBondContact O-CB 3.45Å; E475-F479 PolarHBondContact O-N 3.13Å; R476-F479 PolarHBondContact O-N 3.45Å; R476-F479 VanDerWaalsContact O-N 3.16Å; F479-R481 PolarHBondContact O-N 3.09Å; F479-A482 PolarHBondContact O-N 3.21Å; F479-A482 VanDerWaalsContact O-N 3.14Å; F479-Q483 HydrophobicContact CD1-CG 4.43Å; F479-Q483 VanDerWaalsContact CE1-CD 3.44Å; F479-Q483 HydrophobicContact CE1-CG 4.05Å; F479-Q483 HydrophobicContact CZ-CG 4.18Å; F479-Q483 PolarHBondContact O-N 3.43Å
480R68.4Low71Confident82 Ų8296.1 Ų96.131%0.30946%0.458SS..Hα-helixtrans-54.5-40.3175.4-70.1-168.6-1491628.4111E183 R476 Q483 F484E183-R480 IonicContact OE1-CZ 2.79Å; E183-R480 IonicContact OE1-NE 3.75Å; E183-R480 IonicContact OE1-NH2 3.23Å; E183-R480 PolarHBondContact OE1-NH2 3.1Å; R476-R480 WeakPolarHBondContact O-CG 3.29Å; R476-R480 PolarHBondContact O-N 3.38Å; R480-Q483 PolarHBondContact O-N 2.91Å; R480-F484 PolarHBondContact O-N 3.39Å
481R62.1Low69.9Low106 Ų106101.2 Ų101.240%0.448%0.48SS..Hα-helixtrans-71.8-38.1178.8-74-178.9176.5173.45113.7V477 M478 F479 Q483 F484 L485V477-R481 WeakPolarHBondContact O-CB 3.43Å; V477-R481 WeakPolarHBondContact O-CG 3.39Å; V477-R481 PolarHBondContact O-N 3.38Å; M478-R481 PolarHBondContact O-N 3.24Å; F479-R481 PolarHBondContact O-N 3.09Å; R481-Q483 VanDerWaalsContact C-N 3.28Å; R481-Q483 PolarHBondContact O-N 3.37Å; R481-F484 PolarHBondContact O-N 3.2Å; R481-L485 WeakPolarHBondContact O-CG 3.35Å; R481-L485 PolarHBondContact O-N 3.29Å
482A67.6Low68.6Low48 Ų48102.7 Ų102.740%0.39749%0.492SS..Hα-helixtrans-59.8-43.3172.500000110.6M478 F479 L485 I486M478-A482 PolarHBondContact O-N 3.3Å; F479-A482 PolarHBondContact O-N 3.21Å; F479-A482 VanDerWaalsContact O-N 3.14Å; A482-L485 PolarHBondContact O-N 2.78Å; A482-I486 WeakPolarHBondContact O-CD1 3.25Å; A482-I486 VanDerWaalsContact O-CG1 3.23Å; A482-I486 WeakPolarHBondContact O-CG1 3.46Å; A482-I486 PolarHBondContact O-N 2.99Å; A482-I486 VanDerWaalsContact O-N 3.08Å
483Q70.4Confident67.3Low93 Ų93100.6 Ų100.644%0.43549%0.488SS..Hα-helixtrans-63.6-41.3174.2-70.3-169.1-24.100112.7F479 R480 R481 I486 K487F479-Q483 HydrophobicContact CD1-CG 4.43Å; F479-Q483 VanDerWaalsContact CE1-CD 3.44Å; F479-Q483 HydrophobicContact CE1-CG 4.05Å; F479-Q483 HydrophobicContact CZ-CG 4.18Å; F479-Q483 PolarHBondContact O-N 3.43Å; R480-Q483 PolarHBondContact O-N 2.91Å; R481-Q483 VanDerWaalsContact C-N 3.28Å; R481-Q483 PolarHBondContact O-N 3.37Å; Q483-I486 PolarHBondContact O-N 2.81Å; Q483-K487 WeakPolarHBondContact O-CG 3.4Å; Q483-K487 PolarHBondContact O-N 3.49Å
484F66.8Low66.4Low112 Ų112100.3 Ų100.349%0.49149%0.493SS..Hα-helixtrans-60.3-49.8175.6-177.4-95.1000111.7R480 R481 I486 K487 T488R480-F484 PolarHBondContact O-N 3.39Å; R481-F484 PolarHBondContact O-N 3.2Å; F484-I486 PolarHBondContact O-N 3.17Å; F484-K487 PolarHBondContact O-N 3.16Å; F484-K487 VanDerWaalsContact O-N 3.08Å; F484-T488 WeakPolarHBondContact CE1-OG1 3.45Å; F484-T488 PolarHBondContact O-N 3.01Å; F484-T488 PolarHBondContact O-OG1 3.39Å
485L64.8Low65.2Low120 Ų12098.9 Ų98.963%0.62849%0.494SS*.Hα-helixtrans-58.8-37.1177.7-74.2172.2000112.4R481 A482 K489R481-L485 WeakPolarHBondContact O-CG 3.35Å; R481-L485 PolarHBondContact O-N 3.29Å; A482-L485 PolarHBondContact O-N 2.78Å; L485-K489 VanDerWaalsContact O-CB 3.26Å; L485-K489 WeakPolarHBondContact O-CB 3.39Å; L485-K489 PolarHBondContact O-N 3.45Å
486I68.9Low63.9Low115 Ų115100.4 Ų100.459%0.5950%0.501SS*.Hα-helixtrans-65.8-46.5175-68.1164.4000110.5A482 Q483 F484 K489 S490A482-I486 WeakPolarHBondContact O-CD1 3.25Å; A482-I486 VanDerWaalsContact O-CG1 3.23Å; A482-I486 WeakPolarHBondContact O-CG1 3.46Å; A482-I486 PolarHBondContact O-N 2.99Å; A482-I486 VanDerWaalsContact O-N 3.08Å; Q483-I486 PolarHBondContact O-N 2.81Å; F484-I486 PolarHBondContact O-N 3.17Å; I486-K489 PolarHBondContact O-N 2.97Å; I486-S490 WeakPolarHBondContact O-CB 3.48Å; I486-S490 PolarHBondContact O-N 3.49Å; I486-S490 PolarHBondContact O-OG 3.44Å
487K67.3Low62.7Low136 Ų136100.3 Ų100.359%0.59151%0.509SS*.Hα-helixtrans-61.9-42.6176.7-75.5-178.4179.1178.70112.5Q483 F484 S490 Q491Q483-K487 WeakPolarHBondContact O-CG 3.4Å; Q483-K487 PolarHBondContact O-N 3.49Å; F484-K487 PolarHBondContact O-N 3.16Å; F484-K487 VanDerWaalsContact O-N 3.08Å; K487-S490 WeakPolarHBondContact CA-OG 3.42Å; K487-S490 PolarHBondContact O-N 3.06Å; K487-S490 PolarHBondContact O-OG 2.99Å; K487-Q491 WeakPolarHBondContact O-CG 3.49Å; K487-Q491 PolarHBondContact O-N 2.96Å
488T62.3Low61.7Low58 Ų58100 Ų10036%0.35651%0.509SS..Hα-helixtrans-65.7-41.7177.3-46.40000111F484 S490 Q491 L492F484-T488 WeakPolarHBondContact CE1-OG1 3.45Å; F484-T488 PolarHBondContact O-N 3.01Å; F484-T488 PolarHBondContact O-OG1 3.39Å; T488-S490 VanDerWaalsContact C-N 3.34Å; T488-S490 PolarHBondContact O-N 3.49Å; T488-Q491 PolarHBondContact O-N 3.31Å; T488-L492 WeakPolarHBondContact O-CB 3.09Å; T488-L492 PolarHBondContact O-N 2.92Å
489K63.8Low60.8Low163 Ų163100.1 Ų100.171%0.70951%0.512SS*.Hα-helixtrans-65.7-37.3177.1-166.6176.3-178.6-1780111.9L485 I486 L492 S493L485-K489 VanDerWaalsContact O-CB 3.26Å; L485-K489 WeakPolarHBondContact O-CB 3.39Å; L485-K489 PolarHBondContact O-N 3.45Å; I486-K489 PolarHBondContact O-N 2.97Å; K489-L492 PolarHBondContact O-N 3.47Å; K489-S493 PolarHBondContact O-N 3.49Å; K489-S493 PolarHBondContact O-OG 3.38Å
490S64.1Low59.9Low57 Ų5799.7 Ų99.740%0.39952%0.515SS..Hα-helixtrans-70.5-36.9176.368.60000112.7I486 K487 T488 S493 V494I486-S490 WeakPolarHBondContact O-CB 3.48Å; I486-S490 PolarHBondContact O-N 3.49Å; I486-S490 PolarHBondContact O-OG 3.44Å; K487-S490 WeakPolarHBondContact CA-OG 3.42Å; K487-S490 PolarHBondContact O-N 3.06Å; K487-S490 PolarHBondContact O-OG 2.99Å; T488-S490 VanDerWaalsContact C-N 3.34Å; T488-S490 PolarHBondContact O-N 3.49Å; S490-S493 WeakPolarHBondContact CA-OG 3.29Å; S490-S493 PolarHBondContact O-OG 3.22Å; S490-V494 VanDerWaalsContact O-CG2 3.23Å; S490-V494 WeakPolarHBondContact O-CG2 3.2Å; S490-V494 PolarHBondContact O-N 3.22Å; S490-V494 VanDerWaalsContact O-N 3.12Å
491Q57Low58.9Low137 Ų137102.4 Ų102.464%0.6453%0.534SS*.Hα-helixtrans-66-41173.1-75.9179.8-16.600111.6K487 T488 V494 S495K487-Q491 WeakPolarHBondContact O-CG 3.49Å; K487-Q491 PolarHBondContact O-N 2.96Å; T488-Q491 PolarHBondContact O-N 3.31Å; Q491-V494 PolarHBondContact O-N 3.19Å; Q491-S495 PolarHBondContact O-N 3.45Å; Q491-S495 VanDerWaalsContact O-N 3.08Å
492L56.5Low58.1Low120 Ų120105.4 Ų105.463%0.62855%0.551SS**Hα-helixtrans-66.2-38.9177.7-14583.8000112.3T488 K489 S495 Q496T488-L492 WeakPolarHBondContact O-CB 3.09Å; T488-L492 PolarHBondContact O-N 2.92Å; K489-L492 PolarHBondContact O-N 3.47Å; L492-S495 PolarHBondContact O-N 3.13Å; L492-Q496 WeakPolarHBondContact O-CB 3.49Å; L492-Q496 PolarHBondContact O-N 3.27Å
493S56.4Low56.9Low53 Ų53105.6 Ų105.637%0.37156%0.557SS.*Hα-helixtrans-67.5-36.9175.958.60000112.4K489 S490 Q496 D497K489-S493 PolarHBondContact O-N 3.49Å; K489-S493 PolarHBondContact O-OG 3.38Å; S490-S493 WeakPolarHBondContact CA-OG 3.29Å; S490-S493 PolarHBondContact O-OG 3.22Å; S493-Q496 PolarHBondContact O-N 2.92Å; S493-D497 PolarHBondContact O-N 3Å
494V56Low55.7Low97 Ų97105.7 Ų105.759%0.58857%0.568SS**Hα-helixtrans-66.6-39.2176.2171.20000111.4S490 Q491 S498S490-V494 VanDerWaalsContact O-CG2 3.23Å; S490-V494 WeakPolarHBondContact O-CG2 3.2Å; S490-V494 PolarHBondContact O-N 3.22Å; S490-V494 VanDerWaalsContact O-N 3.12Å; Q491-V494 PolarHBondContact O-N 3.19Å; V494-S498 PolarHBondContact O-N 2.95Å; V494-S498 VanDerWaalsContact O-N 3.13Å; V494-S498 PolarHBondContact O-OG 3.47Å
495S50.9Low54.6Low68 Ų68104.5 Ų104.548%0.47658%0.579SS.*Hα-helixtrans-64.4-37.9172.4-74.10000112.6Q491 L492 S498 D499Q491-S495 PolarHBondContact O-N 3.45Å; Q491-S495 VanDerWaalsContact O-N 3.08Å; L492-S495 PolarHBondContact O-N 3.13Å; S495-S498 VanDerWaalsContact CA-OG 3.29Å; S495-S498 WeakPolarHBondContact CA-OG 3.36Å; S495-S498 PolarHBondContact O-N 2.89Å; S495-S498 PolarHBondContact O-OG 2.54Å; S495-S498 VanDerWaalsContact O-OG 3.07Å; S495-D499 PolarHBondContact O-N 3.03Å
496Q49.8Very low53.7Low130 Ų130103.8 Ų103.861%0.60758%0.584SS**Hα-helixtrans-70.3-36.8179.8-141.71699.200112.5L492 S493 I500L492-Q496 WeakPolarHBondContact O-CB 3.49Å; L492-Q496 PolarHBondContact O-N 3.27Å; S493-Q496 PolarHBondContact O-N 2.92Å; Q496-I500 WeakPolarHBondContact O-CG1 3.31Å; Q496-I500 PolarHBondContact O-N 3.45Å
497D50.3Low52.5Low107 Ų107103.1 Ų103.157%0.57259%0.59SS**Hα-helixtrans-70.4-30.6173.9-79.7-23.1000112.6S493 L501S493-D497 PolarHBondContact O-N 3Å; D497-L501 PolarHBondContact O-N 3.24Å; D497-L501 VanDerWaalsContact O-N 3.17Å
498S49.3Very low51.3Low51 Ų51104.1 Ų104.136%0.35760%0.602SS.*Hα-helixtrans-74.4-35.7175.831.20000112.7V494 S495 I500 L501 F502V494-S498 PolarHBondContact O-N 2.95Å; V494-S498 VanDerWaalsContact O-N 3.13Å; V494-S498 PolarHBondContact O-OG 3.47Å; S495-S498 VanDerWaalsContact CA-OG 3.29Å; S495-S498 WeakPolarHBondContact CA-OG 3.36Å; S495-S498 PolarHBondContact O-N 2.89Å; S495-S498 PolarHBondContact O-OG 2.54Å; S495-S498 VanDerWaalsContact O-OG 3.07Å; S498-I500 VanDerWaalsContact C-N 3.32Å; S498-I500 PolarHBondContact O-N 3.23Å; S498-L501 PolarHBondContact O-N 3.39Å; S498-F502 WeakPolarHBondContact O-CD2 3.27Å; S498-F502 PolarHBondContact O-N 3.15Å
499D50.4Low50.6Low122 Ų122107.6 Ų107.665%0.65262%0.623SS**Hα-helixtrans-65.8-32.7172.6-77.2-24000112.8S495 G503S495-D499 PolarHBondContact O-N 3.03Å; D499-G503 PolarHBondContact O-N 3.25Å
500I54.5Low49.7Very low119 Ų119111.3 Ų111.361%0.6163%0.632SS**Hα-helixtrans-71.4-36.2174.6-65.8167.7000111.1Q496 S498Q496-I500 WeakPolarHBondContact O-CG1 3.31Å; Q496-I500 PolarHBondContact O-N 3.45Å; S498-I500 VanDerWaalsContact C-N 3.32Å; S498-I500 PolarHBondContact O-N 3.23Å
501L47.4Very low48.8Very low139 Ų139116.2 Ų116.273%0.72865%0.654SS**Hα-helixtrans-70.8-37.6177.6-125.889.5000112.6D497 S498D497-L501 PolarHBondContact O-N 3.24Å; D497-L501 VanDerWaalsContact O-N 3.17Å; S498-L501 PolarHBondContact O-N 3.39Å
502F46.7Very low48.1Very low169 Ų169117.6 Ų117.674%0.74167%0.666SS**Hα-helixtrans-87.5-18.6179.6-82-82.8000114.2S498 S504S498-F502 WeakPolarHBondContact O-CD2 3.27Å; S498-F502 PolarHBondContact O-N 3.15Å; F502-S504 VanDerWaalsContact C-N 3.3Å; F502-S504 PolarHBondContact O-N 2.98Å
503G42.1Very low47.2Very low52 Ų52123.5 Ų123.554%0.53670%0.698SS.*THydrogen-bonded Turntrans-71.6-16.3176.400000115.2D499D499-G503 PolarHBondContact O-N 3.25Å
504S44.2Very low46.8Very low95 Ų95127.1 Ų127.166%0.66471%0.714SS**THydrogen-bonded Turntrans-88.3-8.2-179.879.80000114.8F502F502-S504 VanDerWaalsContact C-N 3.3Å; F502-S504 PolarHBondContact O-N 2.98Å
505A44.4Very low46.3Very low87 Ų87128.6 Ų128.672%0.71972%0.721SS**SBendtrans-93.13.8-172.300000115.5
506S44.6Very low46Very low104 Ų104132 Ų13273%0.72774%0.735SS**SBendtrans-118.411.7-171.5690000116.7
507S43.8Very low45.8Very low102 Ų102132.1 Ų132.171%0.71374%0.742SS**SBendtrans-1119.3-175.959.50000117.4
508D43.5Very low45.5Very low157 Ų157133.7 Ų133.784%0.8475%0.753SS**SBendtrans-120.139-176-97.2-11.9000115
509T46.8Very low45.3Very low130 Ų130139.2 Ų139.280%0.79878%0.779SS**  trans-148.774165.842.90000112.5
510R45.8Very low44.9Very low242 Ų242140.4 Ų140.491%0.91379%0.788SS**  trans-167.483.3155.7-111.2169.3-173.4174.62.9110.2
511D44.4Very low44.2Very low160 Ų160142.1 Ų142.186%0.85680%0.802SS**  trans-160.591149-91.6-24.4000108.2
512N41.6Very low43.9Very low166 Ų166142.3 Ų142.389%0.88881%0.808SS**  trans-171.278.5156.4-100.5-13000108.6
513N39.2Very low43.7Very low244 Ų244139.9 Ų139.9100%1.30581%0.814SS**  trans-178.40132.9-112.93.3000110.9

Retrieved 513 of 513 residues in 445.7 ms (Link to these results)