G4LYR1_SCHMA Loading...

Transcription initiation factor, putative

AlphaFold DB , UniProt , Accession G4LYR1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 678 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M37.3Very low44.5Very low232 Ų232135.7 Ų135.7100%1.14372%0.718SS**  0107.20-69.1166.876.900107.9
2V42Very low43.7Very low142 Ų142130.7 Ų130.786%0.86172%0.723SS**  trans-92.9101.9176.7-1790000106.3Q4V2-Q4 PolarHBondContact O-N 2.76Å
3N46Very low43.4Very low114 Ų114133.5 Ų133.561%0.6173%0.733SS**  trans-69.9108.8175.3-95.1-2000108.7V5N3-V5 PolarHBondContact O-N 3.14Å
4Q48.7Very low43.3Very low121 Ų121131.6 Ų131.657%0.56573%0.728SS**  trans-72.8115.4164.2-72-159.13800108.6V2 Y6V2-Q4 PolarHBondContact O-N 2.76Å; Q4-Y6 HydrophobicContact CB-CD2 4.2Å; Q4-Y6 HydrophobicContact CB-CE2 3.67Å; Q4-Y6 PolarHBondContact O-N 2.95Å; Q4-Y6 VanDerWaalsContact OE1-CZ 3.27Å; Q4-Y6 PolarHBondContact OE1-OH 3.24Å
5V44.9Very low42.9Very low98 Ų98132.2 Ų132.259%0.59473%0.729SS**  trans-80.5112.1169.3178.50000107N3 L7N3-V5 PolarHBondContact O-N 3.14Å; V5-L7 HydrophobicContact CG1-CD1 3.82Å; V5-L7 HydrophobicContact CG1-CG 4.21Å
6Y43.3Very low42.6Very low119 Ų119133.1 Ų133.147%0.46773%0.733SS.*  trans-97119.7171.1-70.4-83.4000108.6Q4 T666Q4-Y6 HydrophobicContact CB-CD2 4.2Å; Q4-Y6 HydrophobicContact CB-CE2 3.67Å; Q4-Y6 PolarHBondContact O-N 2.95Å; Q4-Y6 VanDerWaalsContact OE1-CZ 3.27Å; Q4-Y6 PolarHBondContact OE1-OH 3.24Å; Y6-T666 HydrophobicContact CE1-CG2 4.47Å; Y6-T666 HydrophobicContact CE2-CG2 4.12Å; Y6-T666 WeakPolarHBondContact OH-CG2 3.36Å
7L42.2Very low42.5Very low79 Ų79133.1 Ų133.141%0.41474%0.737SS.*  trans-116.7123.5173.9-85.1150.9000109V5 L462 T465V5-L7 HydrophobicContact CG1-CD1 3.82Å; V5-L7 HydrophobicContact CG1-CG 4.21Å; L7-L462 HydrophobicContact CB-CD2 4.41Å; L7-L462 HydrophobicContact CD1-CB 4.48Å; L7-L462 HydrophobicContact CD1-CD2 4.05Å; L7-T465 HydrophobicContact CD2-CG2 4.02Å
8L47.6Very low42.1Very low139 Ų139134.3 Ų134.373%0.72874%0.741SS**  trans-93.6135.9-177.4-158.976.9000109.3
9P52.2Low42.1Very low116 Ų116133.1 Ų133.175%0.75374%0.74SS**  trans-72.8129.8176.726.3-30.1000111.3
10K41.5Very low41.9Very low213 Ų213131.5 Ų131.593%0.92674%0.739SS**  trans-90.4113.7168-99.5-177.8173.4-179.10109.3
11S44Very low41.9Very low120 Ų120129.7 Ų129.784%0.83974%0.74SS**  trans-67.8130.6161.623.40000109.7
12G35.4Very low42.6Very low75 Ų75124.9 Ų124.977%0.77373%0.726SS**  trans-84127.8176.500000111.2
13I39.2Very low42.4Very low167 Ų167123.3 Ų123.386%0.85672%0.721SS**  trans-138.6139.8149.9-57.4-176.5000107.1
14T42.2Very low42Very low108 Ų108123 Ų12366%0.66372%0.723SS**  trans-73.1159.7-162.149.60000116.1
15N37.7Very low41.3Very low140 Ų140126.2 Ų126.275%0.74974%0.741SS**  trans87.4125.8148.9-60.5-19.7000120.1
16N36.7Very low41Very low147 Ų147128.6 Ų128.679%0.78675%0.745SS**  trans100.9107.2144.9-70.96.5000120.1
17V41.1Very low40.8Very low133 Ų133129.9 Ų129.981%0.80677%0.765SS**  trans87103.4136.7-175.50000117.6
18L35.8Very low40.6Very low155 Ų155136 Ų13681%0.81278%0.783SS**  trans-65.7154.4159.6-163.871.3000109.7
19P42Very low39.8Very low110 Ų110134.3 Ų134.371%0.71478%0.782SS**  -142.8140.3102.436.6-20.7000114.8
20S38.5Very low38.9Very low102 Ų102137.1 Ų137.171%0.71379%0.79SS**  trans65112.4141.246.40000121.6
21A42.5Very low38.7Very low94 Ų94131.2 Ų131.278%0.77778%0.781SS**PPolyproline II helixtrans-81.5149.9155.700000111.3
22P50.7Low38.4Very low131 Ų131132.3 Ų132.385%0.85178%0.782SS**PPolyproline II helixtrans-84.8122.5159.132.1-26.4000109.6
23S38.7Very low38.2Very low108 Ų108131.9 Ų131.976%0.75578%0.778SS**PPolyproline II helixtrans-80.9166.5170-163.40000110.5
24V36.6Very low38Very low107 Ų107133.4 Ų133.465%0.64878%0.782SS**  trans84.299.8157.5-142.50000118.8
25M34Very low37.3Very low189 Ų189134.4 Ų134.493%0.93179%0.788SS**  -139.992.7122.8-109.3-163.9160.900109.5
26Q40.1Very low37Very low148 Ų148134.2 Ų134.269%0.69279%0.791SS**  trans-69.1118.1161.7-78.3175.5-30.900108.2R28Q26-R28 PolarHBondContact O-N 3.02Å
27V38.1Very low36.8Very low146 Ų146135.1 Ų135.189%0.88580%0.795SS**  trans-81.596.5163-178.40000106.9
28R38.2Very low36.6Very low209 Ų209137.1 Ų137.179%0.78980%0.796SS**  trans-72.6138.3168.9-93.6178.4168.8143.4-4.3109.8Q26Q26-R28 PolarHBondContact O-N 3.02Å
29S30.3Very low36.6Very low102 Ų102134.9 Ų134.971%0.71379%0.79SS**  trans-44.4136.2170-173.80000114
30L34.3Very low36.4Very low175 Ų175136.9 Ų136.992%0.91680%0.795SS**  trans-121.994.7151.6-74.6173.6000107.1
31A37.5Very low36.1Very low89 Ų89135.5 Ų135.574%0.73680%0.797SS**  trans-103104.9162.700000107.7
32V36.3Very low35.8Very low143 Ų143138.2 Ų138.287%0.86780%0.804SS**  trans-90.6123.5152.4173.40000103.5
33G31.8Very low34.8Very low66 Ų66140 Ų14068%0.6881%0.805SS**  cis112.469.836.700000107.7
34Q34.3Very low34.4Very low200 Ų200139.2 Ų139.294%0.93581%0.805SS**  trans-156.2119.3155.1-111.617410.800110.8
35T27.5Very low34Very low129 Ų129139.9 Ų139.979%0.79181%0.81SS**  trans-78.8139.1-176.842.60000112.6
36V32.3Very low33.6Very low136 Ų136137.1 Ų137.182%0.82480%0.804SS**  trans-156.1101.9132.2175.90000109.4
37L33.1Very low33.2Very low165 Ų165135.3 Ų135.386%0.86481%0.805SS**  trans42.5110.1135.4-53.9172.4000121.4
38Q35.7Very low32.7Very low175 Ų175135.4 Ų135.482%0.81881%0.805SS**  trans-87.4178.7143.8-60.7-179.431.300109.6
39P36.2Very low32.2Very low108 Ų108133.3 Ų133.370%0.70181%0.806SS**  -155.9167.887.739.3-18.7000118.6
40N37Very low32Very low152 Ų152133.6 Ų133.681%0.81381%0.806SS**  trans87.8120.8159.6-58.3-11.1000118.4
41G32.6Very low31.7Very low73 Ų73136.5 Ų136.575%0.75381%0.805SS**  cis108.2970.100000114.1
42V36.7Very low31.5Very low152 Ų152138.4 Ų138.492%0.92181%0.807SS**  trans-156130.6150.6-178.70000111.3
43L29.4Very low31.2Very low167 Ų167137.4 Ų137.487%0.87480%0.801SS**  trans-71.7148.6171.8-99.675.9000113.4
44A30.8Very low31Very low92 Ų92140.1 Ų140.176%0.7681%0.805SS**  trans-174112.2137.200000113.7
45T26.9Very low30.8Very low121 Ų121135.2 Ų135.274%0.74279%0.792SS**  trans6.5140.7143.256.90000123.5
46T27.4Very low31Very low132 Ų132137.2 Ų137.281%0.8179%0.793SS**  trans70.4157.5145.7610000120.4
47P29.8Very low31.2Very low109 Ų109134.3 Ų134.371%0.70877%0.772SS**  cis-126.1163-18.130.7-10.9000114.5M49P47-M49 PolarHBondContact O-N 3.33Å
48V27.8Very low31.6Very low148 Ų148128.6 Ų128.690%0.89775%0.753SS**  trans-61.6120.2168.1174.10000110
49M28.9Very low32.4Very low165 Ų165122.6 Ų122.681%0.81373%0.731SS**  trans-111.9146.2164.1-81.2-150105.300110.7P47 R51P47-M49 PolarHBondContact O-N 3.33Å; M49-R51 PolarHBondContact O-N 3.18Å
50P26.2Very low33.7Very low109 Ų109117.4 Ų117.471%0.70870%0.697SS**  trans-75.1122.6-161.430.3-33000110.8V52P50-V52 PolarHBondContact O-N 3.25Å; P50-V52 VanDerWaalsContact O-N 3.13Å
51R27.7Very low35.1Very low236 Ų236113.8 Ų113.889%0.89168%0.68SS**  trans-70.5109.2166.3-176.6168.5172.194.2-1.6107.6M49 V53M49-R51 PolarHBondContact O-N 3.18Å; R51-V53 PolarHBondContact O-N 3.21Å
52V32.6Very low36.9Very low129 Ų129117 Ų11778%0.78267%0.674SS**  trans-42.7111.9170.2174.80000109.4P50P50-V52 PolarHBondContact O-N 3.25Å; P50-V52 VanDerWaalsContact O-N 3.13Å
53V29.5Very low38.9Very low121 Ų121109.8 Ų109.873%0.73363%0.63SS**  trans-74.7155.8155.7176.10000106.9R51R51-V53 PolarHBondContact O-N 3.21Å
54T28.6Very low41.2Very low124 Ų124102.7 Ų102.776%0.76159%0.593SS**  trans106.7114.9169.5-40.90000109.8
55S29Very low43.5Very low97 Ų97100.1 Ų100.168%0.67858%0.576SS**  cis-162.1144.128.833.60000111.1
56Q32.2Very low46.2Very low171 Ų17196.7 Ų96.780%0.79955%0.551SS**  trans20.995151.4-54.4-160.3-36.600119
57L38Very low48.8Very low74 Ų7490.4 Ų90.439%0.38751%0.513SS..  trans-130.678169-14766.4000111.8S60 T61 D133 V138L57-S60 WeakPolarHBondContact CD1-OG 3.12Å; L57-S60 WeakPolarHBondContact CG-OG 3.48Å; L57-T61 HydrophobicContact CD2-CG2 3.38Å; L57-T61 HydrophobicContact CG-CG2 3.92Å; L57-D133 WeakPolarHBondContact CD1-OD2 3.33Å; L57-V138 HydrophobicContact CD1-CG1 4.17Å; L57-V138 HydrophobicContact CD2-CG1 4.42Å
58G40.4Very low51.2Low46 Ų4688.1 Ų88.147%0.47449%0.494SS..  trans-79.1135.1167.200000110.4S60G58-S60 PolarHBondContact O-N 3.01Å
59S52.1Low53.9Low48 Ų4886.2 Ų86.234%0.33648%0.476SS..SBendtrans54.3-22.3162.269.60000120.7T61 K62 N126 L129S59-T61 PolarHBondContact O-N 3.33Å; S59-K62 PolarHBondContact O-N 2.93Å; S59-N126 WeakPolarHBondContact CB-OD1 3.48Å; S59-N126 PolarHBondContact O-OD1 3.42Å; S59-N126 PolarHBondContact OG-OD1 3.46Å; S59-L129 WeakPolarHBondContact OG-CD1 3.35Å
60S63.2Low56.4Low0 Ų079.4 Ų79.40%044%0.442CS..Hα-helixtrans-65.9-32.3175.960.50000113.4L57 G58 K62 L63 V64 D133L57-S60 WeakPolarHBondContact CD1-OG 3.12Å; L57-S60 WeakPolarHBondContact CG-OG 3.48Å; G58-S60 PolarHBondContact O-N 3.01Å; S60-K62 PolarHBondContact O-N 3.45Å; S60-L63 PolarHBondContact O-N 3.48Å; S60-L63 VanDerWaalsContact O-N 3.07Å; S60-V64 WeakPolarHBondContact O-CG2 3.5Å; S60-V64 PolarHBondContact O-N 2.81Å; S60-D133 WeakPolarHBondContact CB-OD2 3.39Å; S60-D133 PolarHBondContact OG-OD2 3.47Å
61T66.9Low59Low75 Ų7574.5 Ų74.546%0.4641%0.41SS..Hα-helixtrans-59.1-31.117651.90000113.2L57 S59 G65L57-T61 HydrophobicContact CD2-CG2 3.38Å; L57-T61 HydrophobicContact CG-CG2 3.92Å; S59-T61 PolarHBondContact O-N 3.33Å; T61-G65 PolarHBondContact O-N 2.9Å
62K71.5Confident61.6Low141 Ų14167.9 Ų67.961%0.61339%0.389SS*.Hα-helixtrans-73.1-37.6177-60.7-176.4179-177.20111.5S59 S60 F66 F122S59-K62 PolarHBondContact O-N 2.93Å; S60-K62 PolarHBondContact O-N 3.45Å; K62-F66 VanDerWaalsContact O-CB 3.27Å; K62-F66 WeakPolarHBondContact O-CB 3.4Å; K62-F66 PolarHBondContact O-N 2.76Å; K62-F122 HydrophobicContact CB-CE2 4.1Å; K62-F122 HydrophobicContact CB-CZ 3.73Å
63L77.3Confident63.8Low0 Ų066.4 Ų66.40%038%0.377CS..Hα-helixtrans-68-41.7174.3-109.3-167.9000111.4S60 F66 F67 F122 I123 N126 L130S60-L63 PolarHBondContact O-N 3.48Å; S60-L63 VanDerWaalsContact O-N 3.07Å; L63-F66 HydrophobicContact CD2-CD1 4.25Å; L63-F66 PolarHBondContact O-N 2.91Å; L63-F67 HydrophobicContact CD1-CE2 4.34Å; L63-F67 HydrophobicContact CD2-CD2 4.3Å; L63-F67 HydrophobicContact CD2-CE1 4.18Å; L63-F67 HydrophobicContact CD2-CE2 3.68Å; L63-F67 HydrophobicContact CD2-CZ 3.6Å; L63-F67 HydrophobicContact CG-CE2 4.43Å; L63-F67 WeakPolarHBondContact O-CD2 3.16Å; L63-F67 WeakPolarHBondContact O-CG 3.3Å; L63-F67 PolarHBondContact O-N 3.25Å; L63-F122 HydrophobicContact CD2-CD1 4.39Å; L63-F122 HydrophobicContact CD2-CE1 3.94Å; L63-F122 HydrophobicContact CG-CE1 4.19Å; L63-F122 HydrophobicContact CG-CZ 4.46Å; L63-I123 HydrophobicContact CD2-CG1 4.26Å; L63-N126 HydrophobicContact CB-CB 4.31Å; L63-N126 HydrophobicContact CD1-CB 3.25Å; L63-N126 HydrophobicContact CG-CB 3.66Å; L63-L130 HydrophobicContact CD1-CB 4.37Å; L63-L130 HydrophobicContact CD1-CD2 4.19Å
64V77.8Confident66Low18 Ų1860.8 Ų60.811%0.10934%0.343CS..Hα-helixtrans-62.4-45.1175.8175.80000111S60 F67 N68 L130 C139S60-V64 WeakPolarHBondContact O-CG2 3.5Å; S60-V64 PolarHBondContact O-N 2.81Å; V64-F67 PolarHBondContact O-N 3.09Å; V64-N68 WeakPolarHBondContact O-CB 3.5Å; V64-N68 PolarHBondContact O-N 2.88Å; V64-N68 PolarHBondContact O-ND2 3.44Å; V64-L130 HydrophobicContact CG2-CD1 3.49Å; V64-L130 VanDerWaalsContact CG2-CD1 3.49Å; V64-C139 HydrophobicContact CG2-CB 3.98Å
65G79.4Confident68.3Low39 Ų3959.6 Ų59.640%0.40233%0.327SS..Hα-helixtrans-61.7-42.9174.300000112.7T61 N68 Q69T61-G65 PolarHBondContact O-N 2.9Å; G65-N68 PolarHBondContact O-N 2.9Å; G65-Q69 WeakPolarHBondContact O-CB 3.43Å; G65-Q69 PolarHBondContact O-N 3.39Å
66F83.1Confident70.3Confident48 Ų4861.7 Ų61.721%0.21133%0.331CS..Hα-helixtrans-61.3-45.8175.9174.2-103.4000112.3K62 L63 Q69 L70 L119 F122K62-F66 VanDerWaalsContact O-CB 3.27Å; K62-F66 WeakPolarHBondContact O-CB 3.4Å; K62-F66 PolarHBondContact O-N 2.76Å; L63-F66 HydrophobicContact CD2-CD1 4.25Å; L63-F66 PolarHBondContact O-N 2.91Å; F66-Q69 PolarHBondContact O-N 3.35Å; F66-L70 HydrophobicContact CE1-CD2 4.35Å; F66-L70 WeakPolarHBondContact O-CB 3.37Å; F66-L70 PolarHBondContact O-N 3.05Å; F66-L119 HydrophobicContact CE1-CD2 4.34Å; F66-L119 HydrophobicContact CE2-CD2 3.82Å; F66-L119 HydrophobicContact CZ-CD1 4.08Å; F66-L119 HydrophobicContact CZ-CD2 3.62Å; F66-F122 HydrophobicContact CB-CE1 4.4Å
67F82.6Confident72.1Confident1 Ų158 Ų580%0.00432%0.32CS..Hα-helixtrans-70.1-37.2179.1-70.4-36000113.2L63 V64 Q69 L70 L71 I89 L92 F102 L130 L141L63-F67 HydrophobicContact CD1-CE2 4.34Å; L63-F67 HydrophobicContact CD2-CD2 4.3Å; L63-F67 HydrophobicContact CD2-CE1 4.18Å; L63-F67 HydrophobicContact CD2-CE2 3.68Å; L63-F67 HydrophobicContact CD2-CZ 3.6Å; L63-F67 HydrophobicContact CG-CE2 4.43Å; L63-F67 WeakPolarHBondContact O-CD2 3.16Å; L63-F67 WeakPolarHBondContact O-CG 3.3Å; L63-F67 PolarHBondContact O-N 3.25Å; V64-F67 PolarHBondContact O-N 3.09Å; F67-Q69 VanDerWaalsContact C-N 3.34Å; F67-L70 HydrophobicContact CD1-CD2 4.48Å; F67-L70 PolarHBondContact O-N 3.07Å; F67-L71 WeakPolarHBondContact O-CB 3.41Å; F67-L71 PolarHBondContact O-N 3.37Å; F67-I89 HydrophobicContact CD1-CD1 4.24Å; F67-I89 HydrophobicContact CD1-CG1 4.24Å; F67-I89 HydrophobicContact CD1-CG2 4.26Å; F67-I89 HydrophobicContact CD2-CG2 4.19Å; F67-I89 HydrophobicContact CE1-CG1 4.44Å; F67-I89 HydrophobicContact CE1-CG2 4.37Å; F67-I89 HydrophobicContact CE2-CG2 4.27Å; F67-I89 HydrophobicContact CG-CG2 4.19Å; F67-I89 HydrophobicContact CZ-CG2 4.38Å; F67-L92 HydrophobicContact CE1-CD2 4.44Å; F67-L92 HydrophobicContact CE2-CD2 4.34Å; F67-L92 HydrophobicContact CZ-CD2 3.61Å; F67-F102 HydrophobicContact CE1-CE1 4.38Å; F67-F102 HydrophobicContact CE1-CZ 4.01Å; F67-L130 HydrophobicContact CD2-CD2 3.86Å; F67-L130 HydrophobicContact CE2-CD2 3.43Å; F67-L130 VanDerWaalsContact CE2-CD2 3.43Å; F67-L141 HydrophobicContact CB-CD2 3.36Å; F67-L141 HydrophobicContact CD2-CD2 3.92Å; F67-L141 HydrophobicContact CG-CD2 4.07Å
68N80.7Confident73.8Confident60 Ų6056.3 Ų56.332%0.32131%0.314SS..Hα-helixtrans-61.5-44.3172.1-78.8-31.9000111.4V64 G65 L70 L71 E72 P142V64-N68 WeakPolarHBondContact O-CB 3.5Å; V64-N68 PolarHBondContact O-N 2.88Å; V64-N68 PolarHBondContact O-ND2 3.44Å; G65-N68 PolarHBondContact O-N 2.9Å; N68-L70 VanDerWaalsContact C-N 3.32Å; N68-L70 PolarHBondContact O-N 3.33Å; N68-L71 PolarHBondContact O-N 3.3Å; N68-E72 VanDerWaalsContact O-CB 3.31Å; N68-E72 WeakPolarHBondContact O-CB 3.47Å; N68-E72 PolarHBondContact O-N 2.94Å; N68-P142 WeakPolarHBondContact OD1-CD 3.4Å
69Q83.3Confident75.6Confident109 Ų10960.2 Ų60.251%0.50933%0.328SS..Hα-helixtrans-63.3-40175.5-173.164.557.400111.6G65 F66 F67 E72 L73G65-Q69 WeakPolarHBondContact O-CB 3.43Å; G65-Q69 PolarHBondContact O-N 3.39Å; F66-Q69 PolarHBondContact O-N 3.35Å; F67-Q69 VanDerWaalsContact C-N 3.34Å; Q69-E72 PolarHBondContact O-N 2.76Å; Q69-L73 HydrophobicContact CG-CD1 3.95Å; Q69-L73 HydrophobicContact CG-CG 4.44Å; Q69-L73 WeakPolarHBondContact O-CB 3.45Å; Q69-L73 WeakPolarHBondContact O-CG 3.47Å; Q69-L73 PolarHBondContact O-N 2.65Å
70L81.6Confident76.8Confident21 Ų2162.2 Ų62.211%0.1134%0.342CS..Hα-helixtrans-66-42.5178.2-168.566.6000111.7F66 F67 N68 S74 V85 I89 F102 L106 L110F66-L70 HydrophobicContact CE1-CD2 4.35Å; F66-L70 WeakPolarHBondContact O-CB 3.37Å; F66-L70 PolarHBondContact O-N 3.05Å; F67-L70 HydrophobicContact CD1-CD2 4.48Å; F67-L70 PolarHBondContact O-N 3.07Å; N68-L70 VanDerWaalsContact C-N 3.32Å; N68-L70 PolarHBondContact O-N 3.33Å; L70-S74 VanDerWaalsContact O-CB 3.31Å; L70-S74 WeakPolarHBondContact O-CB 3.49Å; L70-S74 PolarHBondContact O-N 2.83Å; L70-S74 PolarHBondContact O-OG 2.86Å; L70-V85 HydrophobicContact CD2-CG1 4.06Å; L70-V85 HydrophobicContact CG-CG1 4Å; L70-I89 HydrophobicContact CD2-CD1 4.38Å; L70-F102 HydrophobicContact CD2-CZ 4.19Å; L70-L106 HydrophobicContact CD1-CD1 4.36Å; L70-L106 HydrophobicContact CD1-CD2 4.5Å; L70-L106 HydrophobicContact CD2-CD1 4.05Å; L70-L106 HydrophobicContact CD2-CD2 4.12Å; L70-L110 HydrophobicContact CD1-CD1 4.18Å
71L80.9Confident77.7Confident6 Ų663 Ų633%0.03135%0.347CS..Hα-helixtrans-64.7-44.4175.9-133.881.3000110.7F67 N68 S74 K75 V85 I89 P142F67-L71 WeakPolarHBondContact O-CB 3.41Å; F67-L71 PolarHBondContact O-N 3.37Å; N68-L71 PolarHBondContact O-N 3.3Å; L71-S74 PolarHBondContact O-N 3.39Å; L71-S74 PolarHBondContact O-OG 2.83Å; L71-K75 WeakPolarHBondContact O-CG 3.4Å; L71-K75 PolarHBondContact O-N 3.15Å; L71-V85 HydrophobicContact CD1-CG1 4.48Å; L71-I89 HydrophobicContact CD1-CD1 3.62Å; L71-P142 HydrophobicContact CD2-CB 4.41Å; L71-P142 HydrophobicContact CD2-CG 3.91Å; L71-P142 WeakPolarHBondContact CD2-O 3.42Å
72E82.6Confident78.4Confident97 Ų9761 Ų6145%0.45333%0.333SS..Hα-helixtrans-63.1-44.9179-160.361.3-144.100111.9N68 Q69 S74 K75 N76N68-E72 VanDerWaalsContact O-CB 3.31Å; N68-E72 WeakPolarHBondContact O-CB 3.47Å; N68-E72 PolarHBondContact O-N 2.94Å; Q69-E72 PolarHBondContact O-N 2.76Å; E72-S74 VanDerWaalsContact C-N 3.32Å; E72-S74 PolarHBondContact O-N 2.89Å; E72-K75 WeakPolarHBondContact O-CB 3.37Å; E72-K75 PolarHBondContact O-N 3.36Å; E72-K75 IonicContact OE1-NZ 2.69Å; E72-K75 IonicContact OE2-NZ 3.57Å; E72-K75 PolarHBondContact OE2-NZ 2.86Å; E72-N76 PolarHBondContact O-OD1 3.21Å
73L80Confident78.8Confident99 Ų9957.7 Ų57.752%0.51833%0.327SS..Hα-helixtrans-66.5-35176.8-69.5170.5000112.2Q69 K75 N76Q69-L73 HydrophobicContact CG-CD1 3.95Å; Q69-L73 HydrophobicContact CG-CG 4.44Å; Q69-L73 WeakPolarHBondContact O-CB 3.45Å; Q69-L73 WeakPolarHBondContact O-CG 3.47Å; Q69-L73 PolarHBondContact O-N 2.65Å; L73-K75 VanDerWaalsContact C-N 3.3Å; L73-K75 PolarHBondContact O-N 3.18Å; L73-N76 PolarHBondContact O-N 3.45Å
74S75.8Confident79.1Confident3 Ų359.2 Ų59.22%0.02134%0.338CS..Hα-helixtrans-68.5-27.1-179.472.70000113.4L70 L71 E72 N76 V77 H82L70-S74 VanDerWaalsContact O-CB 3.31Å; L70-S74 WeakPolarHBondContact O-CB 3.49Å; L70-S74 PolarHBondContact O-N 2.83Å; L70-S74 PolarHBondContact O-OG 2.86Å; L71-S74 PolarHBondContact O-N 3.39Å; L71-S74 PolarHBondContact O-OG 2.83Å; E72-S74 VanDerWaalsContact C-N 3.32Å; E72-S74 PolarHBondContact O-N 2.89Å; S74-N76 PolarHBondContact O-N 3.46Å; S74-V77 PolarHBondContact O-N 3.3Å; S74-H82 PolarHBondContact OG-CD2 3.25Å; S74-H82 VanDerWaalsContact OG-CD2 3.24Å
75K75.9Confident79.4Confident99 Ų9958.4 Ų58.443%0.4333%0.333SS..Hα-helixtrans-59.2-33174.3-68.2172-174.1169.40112.3L71 E72 L73 H82L71-K75 WeakPolarHBondContact O-CG 3.4Å; L71-K75 PolarHBondContact O-N 3.15Å; E72-K75 WeakPolarHBondContact O-CB 3.37Å; E72-K75 PolarHBondContact O-N 3.36Å; E72-K75 IonicContact OE1-NZ 2.69Å; E72-K75 IonicContact OE2-NZ 3.57Å; E72-K75 PolarHBondContact OE2-NZ 2.86Å; L73-K75 VanDerWaalsContact C-N 3.3Å; L73-K75 PolarHBondContact O-N 3.18Å; K75-H82 VanDerWaalsContact CG-CD2 3.45Å; K75-H82 WeakPolarHBondContact CG-CD2 3.34Å
76N70.2Confident79.6Confident141 Ų14157.3 Ų57.375%0.75432%0.32SS*.Hα-helixtrans-90.9-13.6-174.8-66.246.6000113.4E72 L73 S74E72-N76 PolarHBondContact O-OD1 3.21Å; L73-N76 PolarHBondContact O-N 3.45Å; S74-N76 PolarHBondContact O-N 3.46Å
77V71.3Confident79.7Confident94 Ų9459.3 Ų59.357%0.5734%0.336SS*.Hα-helixtrans-87.7-54.8-178.3175.90000111S74 T81S74-V77 PolarHBondContact O-N 3.3Å; V77-T81 HydrophobicContact CG1-CG2 4.37Å
78S73.3Confident79.7Confident38 Ų3859.7 Ų59.727%0.26634%0.338SS..  trans-171.1154.8168.176.20000110.9S80 T81 H82S78-S80 VanDerWaalsContact C-N 3.29Å; S78-S80 PolarHBondContact O-N 3.12Å; S78-S80 PolarHBondContact OG-OG 3.1Å; S78-S80 VanDerWaalsContact OG-OG 3.11Å; S78-T81 PolarHBondContact O-N 2.92Å; S78-T81 WeakPolarHBondContact OG-CB 3.42Å; S78-T81 PolarHBondContact OG-N 3.46Å; S78-T81 PolarHBondContact OG-OG1 2.9Å; S78-H82 PolarHBondContact O-N 3.16Å
79V78.4Confident79.8Confident127 Ų12756.8 Ų56.877%0.7732%0.323SS*.Hα-helixtrans-63-35177.6-178.50000111.8S83V79-S83 PolarHBondContact O-N 3.23Å
80S76.5Confident79.6Confident90 Ų9053.3 Ų53.363%0.62931%0.306SS*.Hα-helixtrans-71-39176.1560000112.1S78 S83 S84S78-S80 VanDerWaalsContact C-N 3.29Å; S78-S80 PolarHBondContact O-N 3.12Å; S78-S80 PolarHBondContact OG-OG 3.1Å; S78-S80 VanDerWaalsContact OG-OG 3.11Å; S80-S83 PolarHBondContact O-N 2.71Å; S80-S84 WeakPolarHBondContact O-CB 3.22Å; S80-S84 PolarHBondContact O-N 3.14Å
81T81.7Confident79.5Confident18 Ų1852.9 Ų52.911%0.1131%0.306CS..Hα-helixtrans-65.3-42.5172.7-57.40000111.1V77 S78 S83 S84 V85 L110V77-T81 HydrophobicContact CG1-CG2 4.37Å; S78-T81 PolarHBondContact O-N 2.92Å; S78-T81 WeakPolarHBondContact OG-CB 3.42Å; S78-T81 PolarHBondContact OG-N 3.46Å; S78-T81 PolarHBondContact OG-OG1 2.9Å; T81-S83 PolarHBondContact O-N 3.32Å; T81-S84 PolarHBondContact O-N 3.39Å; T81-V85 HydrophobicContact CG2-CG2 4.21Å; T81-V85 WeakPolarHBondContact O-CB 3.37Å; T81-V85 VanDerWaalsContact O-CG2 3.25Å; T81-V85 WeakPolarHBondContact O-CG2 3.49Å; T81-V85 PolarHBondContact O-N 2.76Å; T81-L110 HydrophobicContact CG2-CD2 3.73Å
82H81.9Confident79.6Confident33 Ų3352.7 Ų52.715%0.15331%0.305CS..Hα-helixtrans-59.6-46175.9175.8-89.9000111.9S74 K75 S78 V85 A86S74-H82 PolarHBondContact OG-CD2 3.25Å; S74-H82 VanDerWaalsContact OG-CD2 3.24Å; K75-H82 VanDerWaalsContact CG-CD2 3.45Å; K75-H82 WeakPolarHBondContact CG-CD2 3.34Å; S78-H82 PolarHBondContact O-N 3.16Å; H82-V85 PolarHBondContact O-N 3Å; H82-A86 WeakPolarHBondContact O-CB 3.43Å; H82-A86 PolarHBondContact O-N 3.04Å
83S81.1Confident79.3Confident70 Ų7048.2 Ų48.249%0.4928%0.284SS..Hα-helixtrans-62.9-43.7175.9-1780000112V79 S80 T81 A86 T87V79-S83 PolarHBondContact O-N 3.23Å; S80-S83 PolarHBondContact O-N 2.71Å; T81-S83 PolarHBondContact O-N 3.32Å; S83-A86 PolarHBondContact O-N 3.25Å; S83-T87 PolarHBondContact O-N 3.04Å; S83-T87 PolarHBondContact O-OG1 3.45Å
84S83Confident79Confident33 Ų3345.8 Ų45.823%0.23127%0.272CS..Hα-helixtrans-62.8-43.3176.9-172.10000112.6S80 T81 T87 L88 N109S80-S84 WeakPolarHBondContact O-CB 3.22Å; S80-S84 PolarHBondContact O-N 3.14Å; T81-S84 PolarHBondContact O-N 3.39Å; S84-T87 PolarHBondContact O-N 3.14Å; S84-L88 WeakPolarHBondContact O-CB 3.43Å; S84-L88 WeakPolarHBondContact O-CD1 3.35Å; S84-L88 WeakPolarHBondContact O-CG 3.39Å; S84-L88 PolarHBondContact O-N 3.2Å; S84-N109 PolarHBondContact OG-ND2 3.08Å; S84-N109 PolarHBondContact OG-OD1 3.27Å
85V84.7Confident78.9Confident1 Ų147.8 Ų47.81%0.00629%0.293CS..Hα-helixtrans-65-42.2176.5170.90000111.2L70 L71 T81 H82 L88 I89 L106L70-V85 HydrophobicContact CD2-CG1 4.06Å; L70-V85 HydrophobicContact CG-CG1 4Å; L71-V85 HydrophobicContact CD1-CG1 4.48Å; T81-V85 HydrophobicContact CG2-CG2 4.21Å; T81-V85 WeakPolarHBondContact O-CB 3.37Å; T81-V85 VanDerWaalsContact O-CG2 3.25Å; T81-V85 WeakPolarHBondContact O-CG2 3.49Å; T81-V85 PolarHBondContact O-N 2.76Å; H82-V85 PolarHBondContact O-N 3Å; V85-L88 PolarHBondContact O-N 3.35Å; V85-I89 HydrophobicContact CG1-CD1 3.81Å; V85-I89 HydrophobicContact CG1-CG1 4.42Å; V85-I89 VanDerWaalsContact O-CG1 3.25Å; V85-I89 WeakPolarHBondContact O-CG1 3.47Å; V85-I89 PolarHBondContact O-N 3.14Å; V85-L106 HydrophobicContact CG2-CD1 4.2Å
86A82.9Confident78.8Confident15 Ų1550.8 Ų50.812%0.12431%0.308CS..Hα-helixtrans-61.6-44.4175.600000111.9H82 S83 L88 I89 Q90H82-A86 WeakPolarHBondContact O-CB 3.43Å; H82-A86 PolarHBondContact O-N 3.04Å; S83-A86 PolarHBondContact O-N 3.25Å; A86-L88 PolarHBondContact O-N 3.33Å; A86-I89 PolarHBondContact O-N 3.11Å; A86-Q90 WeakPolarHBondContact O-CB 3.41Å; A86-Q90 PolarHBondContact O-N 3.17Å
87T84.6Confident79.1Confident90 Ų9045.5 Ų45.555%0.55228%0.28SS*.Hα-helixtrans-62.5-40.6175.7-56.90000112S83 S84 Q90 A91S83-T87 PolarHBondContact O-N 3.04Å; S83-T87 PolarHBondContact O-OG1 3.45Å; S84-T87 PolarHBondContact O-N 3.14Å; T87-Q90 PolarHBondContact O-N 3.12Å; T87-A91 WeakPolarHBondContact O-CB 3.42Å; T87-A91 PolarHBondContact O-N 2.95Å
88L84.2Confident79.6Confident9 Ų946.4 Ų46.45%0.04728%0.282CS..Hα-helixtrans-63.6-42.9176.6-81161.4000112.6S84 V85 A86 A91 L92 L97 F102 Q105S84-L88 WeakPolarHBondContact O-CB 3.43Å; S84-L88 WeakPolarHBondContact O-CD1 3.35Å; S84-L88 WeakPolarHBondContact O-CG 3.39Å; S84-L88 PolarHBondContact O-N 3.2Å; V85-L88 PolarHBondContact O-N 3.35Å; A86-L88 PolarHBondContact O-N 3.33Å; L88-A91 PolarHBondContact O-N 3.35Å; L88-L92 WeakPolarHBondContact O-CB 3.27Å; L88-L92 PolarHBondContact O-N 3.1Å; L88-L97 HydrophobicContact CD2-CD1 4.39Å; L88-L97 HydrophobicContact CD2-CD2 4.21Å; L88-F102 HydrophobicContact CB-CD2 4.06Å; L88-F102 HydrophobicContact CB-CE2 3.99Å; L88-Q105 HydrophobicContact CD1-CG 4.29Å; L88-Q105 HydrophobicContact CD2-CB 3.79Å; L88-Q105 HydrophobicContact CD2-CG 3.78Å
89I82Confident79.8Confident0 Ų045 Ų450%027%0.272CS..Hα-helixtrans-69.8-37.7177.6-55.4161.1000110F67 L70 L71 V85 A86 L92 V93 F102 I144F67-I89 HydrophobicContact CD1-CD1 4.24Å; F67-I89 HydrophobicContact CD1-CG1 4.24Å; F67-I89 HydrophobicContact CD1-CG2 4.26Å; F67-I89 HydrophobicContact CD2-CG2 4.19Å; F67-I89 HydrophobicContact CE1-CG1 4.44Å; F67-I89 HydrophobicContact CE1-CG2 4.37Å; F67-I89 HydrophobicContact CE2-CG2 4.27Å; F67-I89 HydrophobicContact CG-CG2 4.19Å; F67-I89 HydrophobicContact CZ-CG2 4.38Å; L70-I89 HydrophobicContact CD2-CD1 4.38Å; L71-I89 HydrophobicContact CD1-CD1 3.62Å; V85-I89 HydrophobicContact CG1-CD1 3.81Å; V85-I89 HydrophobicContact CG1-CG1 4.42Å; V85-I89 VanDerWaalsContact O-CG1 3.25Å; V85-I89 WeakPolarHBondContact O-CG1 3.47Å; V85-I89 PolarHBondContact O-N 3.14Å; A86-I89 PolarHBondContact O-N 3.11Å; I89-L92 PolarHBondContact O-N 3.47Å; I89-V93 HydrophobicContact CG2-CG2 4.39Å; I89-V93 WeakPolarHBondContact O-CB 3.44Å; I89-V93 VanDerWaalsContact O-CG2 3.28Å; I89-V93 WeakPolarHBondContact O-CG2 3.4Å; I89-V93 PolarHBondContact O-N 3.48Å; I89-F102 HydrophobicContact CG1-CE2 4.04Å; I89-F102 HydrophobicContact CG1-CZ 4.35Å; I89-I144 HydrophobicContact CB-CD1 3.7Å; I89-I144 HydrophobicContact CD1-CD1 4.49Å; I89-I144 HydrophobicContact CG2-CD1 3.21Å
90Q78.6Confident79.7Confident36 Ų3642.4 Ų42.417%0.16826%0.26CS..Hα-helixtrans-61.4-44.9173.8-171.468.857.300111.9A86 T87 L92 V93 N94 Q145A86-Q90 WeakPolarHBondContact O-CB 3.41Å; A86-Q90 PolarHBondContact O-N 3.17Å; T87-Q90 PolarHBondContact O-N 3.12Å; Q90-L92 VanDerWaalsContact C-N 3.34Å; Q90-L92 PolarHBondContact O-N 3.2Å; Q90-V93 PolarHBondContact O-N 3.41Å; Q90-N94 PolarHBondContact NE2-OD1 3.31Å; Q90-N94 VanDerWaalsContact O-CB 3.3Å; Q90-N94 WeakPolarHBondContact O-CB 3.43Å; Q90-N94 PolarHBondContact O-N 3.5Å; Q90-N94 PolarHBondContact O-ND2 2.89Å; Q90-N94 PolarHBondContact O-OD1 3Å; Q90-Q145 PolarHBondContact NE2-O 3.48Å
91A80.9Confident79.9Confident12 Ų1240.8 Ų40.810%0.09925%0.248CC..Hα-helixtrans-64.8-36.5177.400000112.5T87 L88 G95 E96 L97T87-A91 WeakPolarHBondContact O-CB 3.42Å; T87-A91 PolarHBondContact O-N 2.95Å; L88-A91 PolarHBondContact O-N 3.35Å; A91-G95 PolarHBondContact O-N 3.21Å; A91-E96 HydrophobicContact CB-CB 4.46Å; A91-E96 PolarHBondContact O-N 3.2Å; A91-L97 HydrophobicContact CB-CB 3.95Å; A91-L97 HydrophobicContact CB-CD1 3.97Å; A91-L97 PolarHBondContact O-N 3.42Å
92L81.6Confident79.9Confident2 Ų239.9 Ų39.91%0.0124%0.243CC..Hα-helixtrans-65.7-44.2174.2-170.493.2000111.7F67 L88 I89 Q90 G95 F102 I123 I127 R131F67-L92 HydrophobicContact CE1-CD2 4.44Å; F67-L92 HydrophobicContact CE2-CD2 4.34Å; F67-L92 HydrophobicContact CZ-CD2 3.61Å; L88-L92 WeakPolarHBondContact O-CB 3.27Å; L88-L92 PolarHBondContact O-N 3.1Å; I89-L92 PolarHBondContact O-N 3.47Å; Q90-L92 VanDerWaalsContact C-N 3.34Å; Q90-L92 PolarHBondContact O-N 3.2Å; L92-G95 PolarHBondContact O-N 2.95Å; L92-F102 HydrophobicContact CB-CD2 4.37Å; L92-F102 HydrophobicContact CD1-CB 3.6Å; L92-F102 HydrophobicContact CD1-CD1 4.49Å; L92-F102 HydrophobicContact CD1-CD2 4.21Å; L92-F102 HydrophobicContact CD1-CG 3.86Å; L92-I123 HydrophobicContact CD1-CG2 4.17Å; L92-I123 HydrophobicContact CD2-CG2 3.9Å; L92-I127 HydrophobicContact CD2-CD1 3.58Å; L92-I127 HydrophobicContact CG-CD1 3.8Å; L92-I127 HydrophobicContact CG-CG1 4.48Å; L92-R131 PolarHBondContact O-NH2 2.94Å
93V77.3Confident79.8Confident2 Ų238.6 Ų38.61%0.01224%0.238CC..Hα-helixtrans-65.8-41.8177.6168.90000111I89 Q90 G95 R131 L134 I144 P147I89-V93 HydrophobicContact CG2-CG2 4.39Å; I89-V93 WeakPolarHBondContact O-CB 3.44Å; I89-V93 VanDerWaalsContact O-CG2 3.28Å; I89-V93 WeakPolarHBondContact O-CG2 3.4Å; I89-V93 PolarHBondContact O-N 3.48Å; Q90-V93 PolarHBondContact O-N 3.41Å; V93-G95 PolarHBondContact O-N 2.97Å; V93-R131 PolarHBondContact O-NE 3.22Å; V93-R131 VanDerWaalsContact O-NE 3.14Å; V93-L134 HydrophobicContact CG1-CD1 3.72Å; V93-L134 HydrophobicContact CG2-CD1 3.88Å; V93-I144 HydrophobicContact CG2-CG2 4.36Å; V93-P147 HydrophobicContact CG1-CG 4.11Å
94N72.9Confident79.7Confident49 Ų4938 Ų3826%0.26224%0.237SC..Hα-helixtrans-71.7-11.6179.4-69.3-5.8000114Q90 E96Q90-N94 PolarHBondContact NE2-OD1 3.31Å; Q90-N94 VanDerWaalsContact O-CB 3.3Å; Q90-N94 WeakPolarHBondContact O-CB 3.43Å; Q90-N94 PolarHBondContact O-N 3.5Å; Q90-N94 PolarHBondContact O-ND2 2.89Å; Q90-N94 PolarHBondContact O-OD1 3Å; N94-E96 VanDerWaalsContact C-N 3.35Å; N94-E96 HydrophobicContact CB-CG 4.42Å
95G75Confident79.4Confident45 Ų4540.7 Ų40.746%0.46425%0.246SC..THydrogen-bonded Turntrans83.77.2-178.800000115.1A91 L92 V93 L97 R131A91-G95 PolarHBondContact O-N 3.21Å; L92-G95 PolarHBondContact O-N 2.95Å; V93-G95 PolarHBondContact O-N 2.97Å; G95-L97 VanDerWaalsContact C-N 3.3Å; G95-R131 VanDerWaalsContact CA-NH2 3.31Å
96E72.9Confident79.1Confident161 Ų16141.1 Ų41.175%0.75225%0.248SC*.SBendtrans-78.6-17.6176.1-65.6-172.2154.900112.6A91 N94A91-E96 HydrophobicContact CB-CB 4.46Å; A91-E96 PolarHBondContact O-N 3.2Å; N94-E96 VanDerWaalsContact C-N 3.35Å; N94-E96 HydrophobicContact CB-CG 4.42Å
97L77.4Confident78.8Confident31 Ų3144.8 Ų44.816%0.16226%0.258CS..SBendtrans-130.2127.2-172-140.1121.7000112.1L88 A91 G95 F102L88-L97 HydrophobicContact CD2-CD1 4.39Å; L88-L97 HydrophobicContact CD2-CD2 4.21Å; A91-L97 HydrophobicContact CB-CB 3.95Å; A91-L97 HydrophobicContact CB-CD1 3.97Å; A91-L97 PolarHBondContact O-N 3.42Å; G95-L97 VanDerWaalsContact C-N 3.3Å; L97-F102 HydrophobicContact CD2-CB 3.55Å
98D80.3Confident78.2Confident113 Ų11344.5 Ų44.560%0.60426%0.26SS*.  trans-77.5152.1177.7-167.917000111.7S100 S101 F102D98-S100 PolarHBondContact O-N 2.85Å; D98-S101 PolarHBondContact O-N 3.31Å; D98-F102 PolarHBondContact O-N 2.88Å
99A78.4Confident77.4Confident8 Ų846.4 Ų46.47%0.06627%0.27CS..Hα-helixtrans-58.5-33.3-17600000112.7S103 I123 K124A99-S103 PolarHBondContact O-N 2.7Å; A99-I123 HydrophobicContact CB-CB 4.1Å; A99-I123 HydrophobicContact CB-CG2 3.84Å; A99-K124 HydrophobicContact CB-CB 4.41Å
100S76.5Confident76.8Confident73 Ų7348 Ų4851%0.5128%0.278SS..Hα-helixtrans-68.7-48.1174.8-173.50000111.8D98 F102 S103 A104D98-S100 PolarHBondContact O-N 2.85Å; S100-F102 PolarHBondContact O-N 3.47Å; S100-S103 PolarHBondContact O-N 2.94Å; S100-S103 PolarHBondContact O-OG 3.44Å; S100-A104 PolarHBondContact O-N 3.19Å
101S80.1Confident76Confident55 Ų5556 Ų5639%0.38531%0.313SS..Hα-helixtrans-61.7-42.2178-169.80000111.7D98 S103 A104 Q105D98-S101 PolarHBondContact O-N 3.31Å; S101-S103 VanDerWaalsContact C-N 3.34Å; S101-S103 PolarHBondContact O-N 3.36Å; S101-A104 PolarHBondContact O-N 3.05Å; S101-Q105 WeakPolarHBondContact O-CB 3.21Å; S101-Q105 PolarHBondContact O-N 2.82Å
102F82.4Confident74.7Confident0 Ų060.4 Ų60.40%034%0.343CS..Hα-helixtrans-58.4-47.2174.7171.9-95.9000111F67 L70 L88 I89 L92 L97 D98 S100 A104 Q105 L106 I123F67-F102 HydrophobicContact CE1-CE1 4.38Å; F67-F102 HydrophobicContact CE1-CZ 4.01Å; L70-F102 HydrophobicContact CD2-CZ 4.19Å; L88-F102 HydrophobicContact CB-CD2 4.06Å; L88-F102 HydrophobicContact CB-CE2 3.99Å; I89-F102 HydrophobicContact CG1-CE2 4.04Å; I89-F102 HydrophobicContact CG1-CZ 4.35Å; L92-F102 HydrophobicContact CB-CD2 4.37Å; L92-F102 HydrophobicContact CD1-CB 3.6Å; L92-F102 HydrophobicContact CD1-CD1 4.49Å; L92-F102 HydrophobicContact CD1-CD2 4.21Å; L92-F102 HydrophobicContact CD1-CG 3.86Å; L97-F102 HydrophobicContact CD2-CB 3.55Å; D98-F102 PolarHBondContact O-N 2.88Å; S100-F102 PolarHBondContact O-N 3.47Å; F102-A104 VanDerWaalsContact C-N 3.3Å; F102-A104 PolarHBondContact O-N 2.98Å; F102-Q105 PolarHBondContact O-N 2.93Å; F102-L106 HydrophobicContact CE1-CD2 3.84Å; F102-L106 HydrophobicContact CZ-CD2 4.04Å; F102-L106 WeakPolarHBondContact O-CB 3.35Å; F102-L106 PolarHBondContact O-N 3.15Å; F102-I123 HydrophobicContact CD1-CD1 3.56Å; F102-I123 HydrophobicContact CE1-CD1 3.66Å
103S78.9Confident73.2Confident6 Ų662.9 Ų62.94%0.04236%0.364CS..Hα-helixtrans-64.2-35.5-18080.80000112.4A99 S100 S101 R107A99-S103 PolarHBondContact O-N 2.7Å; S100-S103 PolarHBondContact O-N 2.94Å; S100-S103 PolarHBondContact O-OG 3.44Å; S101-S103 VanDerWaalsContact C-N 3.34Å; S101-S103 PolarHBondContact O-N 3.36Å; S103-R107 VanDerWaalsContact CB-NH1 3.33Å; S103-R107 WeakPolarHBondContact O-CG 3.5Å; S103-R107 PolarHBondContact O-N 3.29Å; S103-R107 PolarHBondContact O-NH1 3.44Å; S103-R107 PolarHBondContact OG-NH1 3.37Å
104A79.2Confident72.1Confident57 Ų5769.7 Ų69.747%0.47140%0.4SS..Hα-helixtrans-71.3-44.9177.500000111.7S100 S101 F102 R107 S108S100-A104 PolarHBondContact O-N 3.19Å; S101-A104 PolarHBondContact O-N 3.05Å; F102-A104 VanDerWaalsContact C-N 3.3Å; F102-A104 PolarHBondContact O-N 2.98Å; A104-R107 WeakPolarHBondContact O-CB 3.46Å; A104-R107 PolarHBondContact O-N 3.37Å; A104-S108 PolarHBondContact O-N 3.38Å
105Q76.6Confident71.2Confident90 Ų9073.1 Ų73.142%0.42143%0.425SS..Hα-helixtrans-73.8-30.7-179.3-157.6149.25.400112.2L88 S101 F102 S108 N109L88-Q105 HydrophobicContact CD1-CG 4.29Å; L88-Q105 HydrophobicContact CD2-CB 3.79Å; L88-Q105 HydrophobicContact CD2-CG 3.78Å; S101-Q105 WeakPolarHBondContact O-CB 3.21Å; S101-Q105 PolarHBondContact O-N 2.82Å; F102-Q105 PolarHBondContact O-N 2.93Å; Q105-S108 PolarHBondContact O-N 3.43Å; Q105-N109 WeakPolarHBondContact O-CB 3.41Å; Q105-N109 PolarHBondContact O-N 3.01Å; Q105-N109 PolarHBondContact O-ND2 3.43Å
106L79.7Confident70.3Confident10 Ų1074.6 Ų74.65%0.05244%0.441CS..Hα-helixtrans-62.8-43.9169.6-173.765.2000111.1L70 V85 F102 S108 N109 L110L70-L106 HydrophobicContact CD1-CD1 4.36Å; L70-L106 HydrophobicContact CD1-CD2 4.5Å; L70-L106 HydrophobicContact CD2-CD1 4.05Å; L70-L106 HydrophobicContact CD2-CD2 4.12Å; V85-L106 HydrophobicContact CG2-CD1 4.2Å; F102-L106 HydrophobicContact CE1-CD2 3.84Å; F102-L106 HydrophobicContact CZ-CD2 4.04Å; F102-L106 WeakPolarHBondContact O-CB 3.35Å; F102-L106 PolarHBondContact O-N 3.15Å; L106-S108 VanDerWaalsContact C-N 3.3Å; L106-S108 PolarHBondContact O-N 3.1Å; L106-N109 PolarHBondContact O-N 3.03Å; L106-L110 HydrophobicContact CD1-CD1 3.51Å; L106-L110 HydrophobicContact CD1-CG 4.26Å; L106-L110 HydrophobicContact CG-CD1 3.9Å; L106-L110 WeakPolarHBondContact O-CB 3.41Å; L106-L110 PolarHBondContact O-N 3.31Å
107R74.8Confident69.6Low91 Ų9172.8 Ų72.834%0.34343%0.434SS..Hα-helixtrans-63.3-33.3173.6-72.4175.2-165.9106-4.6112.7S103 A104 L110 A113S103-R107 VanDerWaalsContact CB-NH1 3.33Å; S103-R107 WeakPolarHBondContact O-CG 3.5Å; S103-R107 PolarHBondContact O-N 3.29Å; S103-R107 PolarHBondContact O-NH1 3.44Å; S103-R107 PolarHBondContact OG-NH1 3.37Å; A104-R107 WeakPolarHBondContact O-CB 3.46Å; A104-R107 PolarHBondContact O-N 3.37Å; R107-L110 CarbonylContact O-C 3.55Å; R107-A113 HydrophobicContact CG-CB 4.41Å
108S71.9Confident68.9Low84 Ų8476.4 Ų76.459%0.58745%0.453SS*.Hα-helixtrans-73.2-36.6176.6-174.10000113.3A104 Q105 L106A104-S108 PolarHBondContact O-N 3.38Å; Q105-S108 PolarHBondContact O-N 3.43Å; L106-S108 VanDerWaalsContact C-N 3.3Å; L106-S108 PolarHBondContact O-N 3.1Å
109N68.5Low68.4Low50 Ų5072.3 Ų72.327%0.26743%0.431SS..Hα-helixtrans-81.8-32.5-179.4-79.1-80.9000112.3S84 Q105 L106S84-N109 PolarHBondContact OG-ND2 3.08Å; S84-N109 PolarHBondContact OG-OD1 3.27Å; Q105-N109 WeakPolarHBondContact O-CB 3.41Å; Q105-N109 PolarHBondContact O-N 3.01Å; Q105-N109 PolarHBondContact O-ND2 3.43Å; L106-N109 PolarHBondContact O-N 3.03Å
110L69.7Low68.1Low32 Ų3272.8 Ų72.817%0.16844%0.435CS..SBendtrans-100.282.3171.7-63.5169.4000108L70 T81 L106 R107 S112 A113L70-L110 HydrophobicContact CD1-CD1 4.18Å; T81-L110 HydrophobicContact CG2-CD2 3.73Å; L106-L110 HydrophobicContact CD1-CD1 3.51Å; L106-L110 HydrophobicContact CD1-CG 4.26Å; L106-L110 HydrophobicContact CG-CD1 3.9Å; L106-L110 WeakPolarHBondContact O-CB 3.41Å; L106-L110 PolarHBondContact O-N 3.31Å; R107-L110 CarbonylContact O-C 3.55Å; L110-S112 PolarHBondContact O-N 3.43Å; L110-A113 PolarHBondContact O-N 3.18Å
111K62Low68.1Low204 Ų20472.1 Ų72.189%0.88743%0.429SS*.THydrogen-bonded Turntrans-55.817.3-179.6-71171.4172.9173.10115.6
112S52.1Low68Low105 Ų10572.7 Ų72.773%0.73443%0.425SS*.THydrogen-bonded Turntrans-1416.4-174.960.70000115.3L110 N114L110-S112 PolarHBondContact O-N 3.43Å; S112-N114 PolarHBondContact O-N 3.23Å
113A51.3Low67.9Low55 Ų5572.7 Ų72.746%0.45543%0.425SS..  trans-76108.8-177.200000112.3R107 L110R107-A113 HydrophobicContact CG-CB 4.41Å; L110-A113 PolarHBondContact O-N 3.18Å
114N52.9Low67.8Low144 Ų14479.3 Ų79.377%0.7745%0.453SS*.  trans-43.6131.9175.2-85.2-63.3000112.7S112 G116S112-N114 PolarHBondContact O-N 3.23Å; N114-G116 PolarHBondContact O-N 3.04Å
115P55Low67.5Low122 Ų12282.2 Ų82.279%0.79246%0.46SS*.THydrogen-bonded Turntrans-70.16.6-171.427.3-34.8000115.5
116G55.3Low67.3Low76 Ų7678.4 Ų78.478%0.78444%0.443SS*.THydrogen-bonded Turntrans-95.1-8.3-165.700000117N114N114-G116 PolarHBondContact O-N 3.04Å
117M57.9Low67.3Low123 Ų12378.6 Ų78.661%0.60644%0.444SS*.  trans-116.2105-174.1-150.6170.371.900111.2L119M117-L119 HydrophobicContact CE-CD1 4.48Å; M117-L119 HydrophobicContact CE-CD2 3.66Å; M117-L119 HydrophobicContact CE-CG 4.05Å; M117-L119 PolarHBondContact O-N 3.12Å
118D63.1Low67.3Low106 Ų10679.3 Ų79.357%0.56746%0.455SS*.  trans-74.395.3173.5-168.812.7000109.7A120 P121D118-A120 VanDerWaalsContact C-N 3.31Å; D118-A120 WeakPolarHBondContact OD1-CB 3.35Å; D118-A120 PolarHBondContact OD1-N 3.24Å; D118-P121 WeakPolarHBondContact O-CD 3.48Å; D118-P121 WeakPolarHBondContact OD1-CD 3.5Å; D118-P121 WeakPolarHBondContact OD2-CD 3.42Å; D118-P121 WeakPolarHBondContact OD2-CG 3.41Å
119L70.4Confident67.4Low27 Ų2777.5 Ų77.514%0.14144%0.438CS..  trans-76.9-17.8177.4-75.6160.7000112.3F66 M117 F122 I123F66-L119 HydrophobicContact CE1-CD2 4.34Å; F66-L119 HydrophobicContact CE2-CD2 3.82Å; F66-L119 HydrophobicContact CZ-CD1 4.08Å; F66-L119 HydrophobicContact CZ-CD2 3.62Å; M117-L119 HydrophobicContact CE-CD1 4.48Å; M117-L119 HydrophobicContact CE-CD2 3.66Å; M117-L119 HydrophobicContact CE-CG 4.05Å; M117-L119 PolarHBondContact O-N 3.12Å; L119-F122 PolarHBondContact O-N 3.3Å; L119-I123 HydrophobicContact CB-CD1 4.02Å; L119-I123 WeakPolarHBondContact O-CD1 3.21Å; L119-I123 VanDerWaalsContact O-CG1 3.27Å; L119-I123 WeakPolarHBondContact O-CG1 3.45Å; L119-I123 PolarHBondContact O-N 3.45Å
120A72.3Confident67.6Low18 Ų1875.1 Ų75.115%0.14943%0.425CS..Hα-helixtrans-62.6-42.6-172.500000113.4D118 I123 K124D118-A120 VanDerWaalsContact C-N 3.31Å; D118-A120 WeakPolarHBondContact OD1-CB 3.35Å; D118-A120 PolarHBondContact OD1-N 3.24Å; A120-I123 PolarHBondContact O-N 3.46Å; A120-K124 VanDerWaalsContact O-CB 3.23Å; A120-K124 WeakPolarHBondContact O-CB 3.45Å; A120-K124 PolarHBondContact O-N 3.03Å
121P76.5Confident67.8Low60 Ų6076.4 Ų76.439%0.3943%0.428SS..Hα-helixtrans-64.4-42.4175.3-2031.7000112.3D118 I123 K124 D125D118-P121 WeakPolarHBondContact O-CD 3.48Å; D118-P121 WeakPolarHBondContact OD1-CD 3.5Å; D118-P121 WeakPolarHBondContact OD2-CD 3.42Å; D118-P121 WeakPolarHBondContact OD2-CG 3.41Å; P121-I123 VanDerWaalsContact C-N 3.33Å; P121-I123 PolarHBondContact O-N 2.94Å; P121-K124 PolarHBondContact O-N 3.5Å; P121-D125 PolarHBondContact O-N 3.3Å
122F77.5Confident68.4Low66 Ų6671.7 Ų71.729%0.28940%0.404SS..Hα-helixtrans-64.9-37.1-179.5176.5-110.4000112.4K62 L63 F66 L119 N126K62-F122 HydrophobicContact CB-CE2 4.1Å; K62-F122 HydrophobicContact CB-CZ 3.73Å; L63-F122 HydrophobicContact CD2-CD1 4.39Å; L63-F122 HydrophobicContact CD2-CE1 3.94Å; L63-F122 HydrophobicContact CG-CE1 4.19Å; L63-F122 HydrophobicContact CG-CZ 4.46Å; F66-F122 HydrophobicContact CB-CE1 4.4Å; L119-F122 PolarHBondContact O-N 3.3Å; F122-N126 PolarHBondContact O-ND2 2.88Å
123I79.2Confident69.2Low0 Ų067 Ų670%037%0.371CS..Hα-helixtrans-73.8-44.5176.9-64.4165000110.2L63 L92 A99 F102 L119 A120 P121 D125 N126 I127L63-I123 HydrophobicContact CD2-CG1 4.26Å; L92-I123 HydrophobicContact CD1-CG2 4.17Å; L92-I123 HydrophobicContact CD2-CG2 3.9Å; A99-I123 HydrophobicContact CB-CB 4.1Å; A99-I123 HydrophobicContact CB-CG2 3.84Å; F102-I123 HydrophobicContact CD1-CD1 3.56Å; F102-I123 HydrophobicContact CE1-CD1 3.66Å; L119-I123 HydrophobicContact CB-CD1 4.02Å; L119-I123 WeakPolarHBondContact O-CD1 3.21Å; L119-I123 VanDerWaalsContact O-CG1 3.27Å; L119-I123 WeakPolarHBondContact O-CG1 3.45Å; L119-I123 PolarHBondContact O-N 3.45Å; A120-I123 PolarHBondContact O-N 3.46Å; P121-I123 VanDerWaalsContact C-N 3.33Å; P121-I123 PolarHBondContact O-N 2.94Å; I123-D125 VanDerWaalsContact C-N 3.32Å; I123-D125 PolarHBondContact O-N 3.18Å; I123-N126 PolarHBondContact O-N 3.23Å; I123-N126 VanDerWaalsContact O-N 3.13Å; I123-I127 WeakPolarHBondContact O-CB 3.36Å; I123-I127 PolarHBondContact O-N 3.43Å
124K78Confident70.1Confident145 Ų14564.9 Ų64.963%0.6335%0.352SS*.Hα-helixtrans-59.2-39.9-178.8-172.7171.8-178172.10112.9A99 A120 P121 N126A99-K124 HydrophobicContact CB-CB 4.41Å; A120-K124 VanDerWaalsContact O-CB 3.23Å; A120-K124 WeakPolarHBondContact O-CB 3.45Å; A120-K124 PolarHBondContact O-N 3.03Å; P121-K124 PolarHBondContact O-N 3.5Å; K124-N126 VanDerWaalsContact C-N 3.26Å; K124-N126 PolarHBondContact O-N 3.31Å
125D71.9Confident70.5Confident119 Ų11960.5 Ų60.564%0.63634%0.336SS*.THydrogen-bonded Turntrans-73.4-16.2-179.3-70-11.2000113.6P121 I123P121-D125 PolarHBondContact O-N 3.3Å; I123-D125 VanDerWaalsContact C-N 3.32Å; I123-D125 PolarHBondContact O-N 3.18Å
126N73.8Confident70.7Confident9 Ų959.9 Ų59.95%0.04833%0.326CS..THydrogen-bonded Turntrans-122.8-10.5-169.6-66.5-70.1000114.3S59 L63 F122 I123 K124 L129 L130S59-N126 WeakPolarHBondContact CB-OD1 3.48Å; S59-N126 PolarHBondContact O-OD1 3.42Å; S59-N126 PolarHBondContact OG-OD1 3.46Å; L63-N126 HydrophobicContact CB-CB 4.31Å; L63-N126 HydrophobicContact CD1-CB 3.25Å; L63-N126 HydrophobicContact CG-CB 3.66Å; F122-N126 PolarHBondContact O-ND2 2.88Å; I123-N126 PolarHBondContact O-N 3.23Å; I123-N126 VanDerWaalsContact O-N 3.13Å; K124-N126 VanDerWaalsContact C-N 3.26Å; K124-N126 PolarHBondContact O-N 3.31Å; N126-L129 PolarHBondContact O-N 2.96Å; N126-L130 WeakPolarHBondContact O-CB 3.49Å; N126-L130 PolarHBondContact O-N 2.83Å
127I78Confident71Confident15 Ų1558.8 Ų58.88%0.07732%0.315CS..Hα-helixtrans-66.9-38.4-176.4-167.460000112.5L92 I123 L130 R131L92-I127 HydrophobicContact CD2-CD1 3.58Å; L92-I127 HydrophobicContact CG-CD1 3.8Å; L92-I127 HydrophobicContact CG-CG1 4.48Å; I123-I127 WeakPolarHBondContact O-CB 3.36Å; I123-I127 PolarHBondContact O-N 3.43Å; I127-L130 HydrophobicContact CD1-CD2 4.39Å; I127-L130 PolarHBondContact O-N 3.08Å; I127-R131 WeakPolarHBondContact O-CG 3.43Å; I127-R131 PolarHBondContact O-N 3.13Å
128D74.8Confident70.9Confident106 Ų10657 Ų5757%0.56731%0.31SS*.Hα-helixtrans-69.3-37.3179-64-35.9000111.7R131 R132D128-R131 IonicContact OD1-NH1 3.04Å; D128-R132 WeakPolarHBondContact O-CB 3.2Å; D128-R132 PolarHBondContact O-N 3.28Å; D128-R132 VanDerWaalsContact O-N 3.09Å
129L75.2Confident70.4Confident45 Ų4552.8 Ų52.824%0.23629%0.289CS..Hα-helixtrans-64.6-43.3172.1-75.5153.7000111S59 N126 R132 D133S59-L129 WeakPolarHBondContact OG-CD1 3.35Å; N126-L129 PolarHBondContact O-N 2.96Å; L129-R132 PolarHBondContact O-N 3.42Å; L129-D133 WeakPolarHBondContact O-CB 3.46Å; L129-D133 VanDerWaalsContact O-CG 3.26Å; L129-D133 PolarHBondContact O-N 3.17Å
130L71.8Confident69.4Low1 Ų162.3 Ų62.31%0.00532%0.323CS..Hα-helixtrans-65.9-41.8178.1-17668.4000112.2L63 V64 F67 N126 I127 R132 D133 L134 L141L63-L130 HydrophobicContact CD1-CB 4.37Å; L63-L130 HydrophobicContact CD1-CD2 4.19Å; V64-L130 HydrophobicContact CG2-CD1 3.49Å; V64-L130 VanDerWaalsContact CG2-CD1 3.49Å; F67-L130 HydrophobicContact CD2-CD2 3.86Å; F67-L130 HydrophobicContact CE2-CD2 3.43Å; F67-L130 VanDerWaalsContact CE2-CD2 3.43Å; N126-L130 WeakPolarHBondContact O-CB 3.49Å; N126-L130 PolarHBondContact O-N 2.83Å; I127-L130 HydrophobicContact CD1-CD2 4.39Å; I127-L130 PolarHBondContact O-N 3.08Å; L130-R132 VanDerWaalsContact C-N 3.3Å; L130-R132 PolarHBondContact O-N 2.85Å; L130-D133 PolarHBondContact O-N 3.46Å; L130-L134 HydrophobicContact CD1-CD1 4.23Å; L130-L134 HydrophobicContact CD2-CD1 4.38Å; L130-L134 HydrophobicContact CG-CD1 3.86Å; L130-L134 VanDerWaalsContact O-CB 3.31Å; L130-L134 WeakPolarHBondContact O-CB 3.38Å; L130-L134 PolarHBondContact O-N 3.4Å; L130-L141 HydrophobicContact CD1-CD1 4.28Å
131R75.7Confident68.8Low58 Ų5862.1 Ų62.122%0.21932%0.319CS..Hα-helixtrans-59.8-41.9174.5-76.3179.4-176.6146.97.8111.2L92 V93 G95 I127 D128 A135L92-R131 PolarHBondContact O-NH2 2.94Å; V93-R131 PolarHBondContact O-NE 3.22Å; V93-R131 VanDerWaalsContact O-NE 3.14Å; G95-R131 VanDerWaalsContact CA-NH2 3.31Å; I127-R131 WeakPolarHBondContact O-CG 3.43Å; I127-R131 PolarHBondContact O-N 3.13Å; D128-R131 IonicContact OD1-NH1 3.04Å; R131-A135 WeakPolarHBondContact O-CB 3.44Å; R131-A135 PolarHBondContact O-N 2.89Å
132R73.8Confident67.6Low105 Ų10562.4 Ų62.440%0.39632%0.321SS..Hα-helixtrans-65.3-43.3175-170178.670.2171.83.8112.2D128 L129 L130 A135 N136D128-R132 WeakPolarHBondContact O-CB 3.2Å; D128-R132 PolarHBondContact O-N 3.28Å; D128-R132 VanDerWaalsContact O-N 3.09Å; L129-R132 PolarHBondContact O-N 3.42Å; L130-R132 VanDerWaalsContact C-N 3.3Å; L130-R132 PolarHBondContact O-N 2.85Å; R132-A135 PolarHBondContact O-N 2.75Å; R132-N136 VanDerWaalsContact O-CB 3.25Å; R132-N136 WeakPolarHBondContact O-CB 3.47Å; R132-N136 PolarHBondContact O-N 3.17Å; R132-N136 PolarHBondContact O-ND2 3.37Å
133D69.7Low66.5Low6 Ų665.4 Ų65.43%0.03234%0.341CS..Hα-helixtrans-73-32.9-179-70.2-15.5000112.9L57 S60 L129 L130 G137 V138 C139L57-D133 WeakPolarHBondContact CD1-OD2 3.33Å; S60-D133 WeakPolarHBondContact CB-OD2 3.39Å; S60-D133 PolarHBondContact OG-OD2 3.47Å; L129-D133 WeakPolarHBondContact O-CB 3.46Å; L129-D133 VanDerWaalsContact O-CG 3.26Å; L129-D133 PolarHBondContact O-N 3.17Å; L130-D133 PolarHBondContact O-N 3.46Å; D133-G137 PolarHBondContact O-N 3.04Å; D133-V138 HydrophobicContact CB-CB 4.25Å; D133-V138 PolarHBondContact O-N 2.83Å; D133-C139 HydrophobicContact CB-CB 4.49Å; D133-C139 PolarHBondContact O-N 3.3Å
134L69.5Low65.3Low12 Ų1266.2 Ų66.26%0.06334%0.344CS..Hα-helixtrans-68.6-43170.1-87.6160.2000111.6V93 L130 N136 G137 L141V93-L134 HydrophobicContact CG1-CD1 3.72Å; V93-L134 HydrophobicContact CG2-CD1 3.88Å; L130-L134 HydrophobicContact CD1-CD1 4.23Å; L130-L134 HydrophobicContact CD2-CD1 4.38Å; L130-L134 HydrophobicContact CG-CD1 3.86Å; L130-L134 VanDerWaalsContact O-CB 3.31Å; L130-L134 WeakPolarHBondContact O-CB 3.38Å; L130-L134 PolarHBondContact O-N 3.4Å; L134-N136 VanDerWaalsContact C-N 3.33Å; L134-N136 PolarHBondContact O-N 3.19Å; L134-G137 PolarHBondContact O-N 3.3Å; L134-L141 HydrophobicContact CD1-CD1 3.97Å; L134-L141 HydrophobicContact CD2-CD1 3.87Å; L134-L141 HydrophobicContact CG-CD1 4.14Å
135A60.9Low63.8Low51 Ų5166.6 Ų66.642%0.42135%0.348SS..Hα-helixtrans-65.1-35.9176.400000112.5R131 R132 G137R131-A135 WeakPolarHBondContact O-CB 3.44Å; R131-A135 PolarHBondContact O-N 2.89Å; R132-A135 PolarHBondContact O-N 2.75Å; A135-G137 VanDerWaalsContact C-N 3.32Å
136N59.3Low62.8Low110 Ų11064.8 Ų64.859%0.58834%0.344SS*.THydrogen-bonded Turntrans-85-1.3178.3-67.3-16.1000113.6R132 L134 V138R132-N136 VanDerWaalsContact O-CB 3.25Å; R132-N136 WeakPolarHBondContact O-CB 3.47Å; R132-N136 PolarHBondContact O-N 3.17Å; R132-N136 PolarHBondContact O-ND2 3.37Å; L134-N136 VanDerWaalsContact C-N 3.33Å; L134-N136 PolarHBondContact O-N 3.19Å; N136-V138 HydrophobicContact CB-CG2 3.86Å; N136-V138 PolarHBondContact O-N 3.19Å
137G61.2Low61.4Low53 Ų5365.7 Ų65.755%0.54635%0.35SS..THydrogen-bonded Turntrans68.614.8-179.500000115D133 L134 A135 C139D133-G137 PolarHBondContact O-N 3.04Å; L134-G137 PolarHBondContact O-N 3.3Å; A135-G137 VanDerWaalsContact C-N 3.32Å; G137-C139 VanDerWaalsContact C-N 3.31Å
138V56.1Low59.7Low84 Ų8469.7 Ų69.751%0.50938%0.377SS..SBendtrans-74.5-25-178.8-178.40000111.2L57 D133 N136L57-V138 HydrophobicContact CD1-CG1 4.17Å; L57-V138 HydrophobicContact CD2-CG1 4.42Å; D133-V138 HydrophobicContact CB-CB 4.25Å; D133-V138 PolarHBondContact O-N 2.83Å; N136-V138 HydrophobicContact CB-CG2 3.86Å; N136-V138 PolarHBondContact O-N 3.19Å
139C52.1Low58.6Low19 Ų1973.9 Ų73.913%0.12839%0.39CS..  trans-132.2135.8176.6-68.30000110.4V64 D133 G137V64-C139 HydrophobicContact CG2-CB 3.98Å; D133-C139 HydrophobicContact CB-CB 4.49Å; D133-C139 PolarHBondContact O-N 3.3Å; G137-C139 VanDerWaalsContact C-N 3.31Å
140R49.4Very low57Low227 Ų22778.4 Ų78.486%0.85741%0.414SS*.  trans-114.4121.2170.3-77.1-168.5160.9123.7-0.7109.3
141L60.6Low55.8Low13 Ų1384.9 Ų84.97%0.06845%0.447CS..  trans-93.7135166.4-72.6104.8000108.9F67 L130 L134 I144F67-L141 HydrophobicContact CB-CD2 3.36Å; F67-L141 HydrophobicContact CD2-CD2 3.92Å; F67-L141 HydrophobicContact CG-CD2 4.07Å; L130-L141 HydrophobicContact CD1-CD1 4.28Å; L134-L141 HydrophobicContact CD1-CD1 3.97Å; L134-L141 HydrophobicContact CD2-CD1 3.87Å; L134-L141 HydrophobicContact CG-CD1 4.14Å; L141-I144 HydrophobicContact CB-CB 4.13Å; L141-I144 HydrophobicContact CB-CD1 3.92Å; L141-I144 HydrophobicContact CB-CG1 4.03Å; L141-I144 HydrophobicContact CD2-CD1 4.01Å; L141-I144 HydrophobicContact CG-CD1 4.47Å
142P51.5Low54.3Low66 Ų6688.4 Ų88.443%0.42947%0.465SS..THydrogen-bonded Turntrans-64.813617524.8-26.6000109.5N68 L71 I144N68-P142 WeakPolarHBondContact OD1-CD 3.4Å; L71-P142 HydrophobicContact CD2-CB 4.41Å; L71-P142 HydrophobicContact CD2-CG 3.91Å; L71-P142 WeakPolarHBondContact CD2-O 3.42Å; P142-I144 PolarHBondContact O-N 2.82Å
143N53.2Low52.4Low130 Ų13090 Ų9070%0.69549%0.486SS*.THydrogen-bonded Turntrans66.314.6-179.3-89.60.6000118.5
144I53.8Low50.6Low16 Ų1693.1 Ų93.18%0.08252%0.519CS..  trans-117.3118.9176.9-49.1-169000109.6I89 V93 L141 P142I89-I144 HydrophobicContact CB-CD1 3.7Å; I89-I144 HydrophobicContact CD1-CD1 4.49Å; I89-I144 HydrophobicContact CG2-CD1 3.21Å; V93-I144 HydrophobicContact CG2-CG2 4.36Å; L141-I144 HydrophobicContact CB-CB 4.13Å; L141-I144 HydrophobicContact CB-CD1 3.92Å; L141-I144 HydrophobicContact CB-CG1 4.03Å; L141-I144 HydrophobicContact CD2-CD1 4.01Å; L141-I144 HydrophobicContact CG-CD1 4.47Å; P142-I144 PolarHBondContact O-N 2.82Å
145Q48.5Very low49.3Very low153 Ų15397.9 Ų97.972%0.71555%0.549SS*.PPolyproline II helixtrans-74.7132.2179.7-137.1169.835.200108.9Q90Q90-Q145 PolarHBondContact NE2-O 3.48Å
146P49.6Very low48.2Very low82 Ų82101.3 Ų101.353%0.53257%0.567SS.*PPolyproline II helixtrans-59138176.823.4-31.7000109.8
147P44.3Very low47.1Very low27 Ų27101.4 Ų101.418%0.17557%0.572CS.*PPolyproline II helixtrans-59.6141.2-178.922.7-30.6000110.3V93V93-P147 HydrophobicContact CG1-CG 4.11Å
148P43Very low45.8Very low99 Ų99103.3 Ų103.364%0.64358%0.582SS**PPolyproline II helixtrans-54.8141.3174.9-21.231.2000111D150P148-D150 PolarHBondContact O-N 2.86Å
149K51.1Low44.9Very low194 Ų194104.2 Ų104.284%0.84359%0.587SS**G310 helixtrans-66.711.9-169.1-70.2178.2177.7175.20116
150D42.6Very low44Very low141 Ų141108.9 Ų108.975%0.75462%0.618SS**G310 helixtrans-101.312.6-166.6-68.1-35000115.7P148P148-D150 PolarHBondContact O-N 2.86Å
151I46.3Very low43.3Very low136 Ų136103.9 Ų103.970%0.69761%0.612SS**G310 helixtrans-110.71.9177.5-56173000113
152F43.9Very low42.1Very low133 Ų133107.8 Ų107.858%0.58364%0.641SS**  trans-111.356.5176.9-78.8-84.6000112.7
153T34Very low41.2Very low138 Ų138112.5 Ų112.585%0.84766%0.661SS**  trans-97.886165.448.10000109.5
154G32.8Very low40.2Very low71 Ų71111.6 Ų111.673%0.73266%0.659SS**  trans-174.243.6179.800000112.8
155V42Very low39.1Very low113 Ų113116.9 Ų116.969%0.68569%0.693SS**  trans-102.5122.8171.1-179.30000107.4T157V155-T157 PolarHBondContact O-N 3.5Å
156P37.3Very low38.5Very low123 Ų123115.3 Ų115.380%0.79969%0.693SS**  trans-73.2106.215130.1-24.6000106.6A158P156-A158 PolarHBondContact O-N 3.13Å
157T36.8Very low37.6Very low112 Ų112118.4 Ų118.469%0.68771%0.705SS**  trans-11.1108.8161.3-62.80000114.6V155 V159V155-T157 PolarHBondContact O-N 3.5Å; T157-V159 HydrophobicContact CG2-CG1 3.98Å; T157-V159 PolarHBondContact O-N 3.28Å
158A33.1Very low37.3Very low92 Ų92123.1 Ų123.176%0.7674%0.736SS**  trans-74.5100.5155.200000107.3P156P156-A158 PolarHBondContact O-N 3.13Å
159V37.6Very low36.7Very low103 Ų103123.2 Ų123.262%0.62473%0.734SS**  trans-61.2127.8166.9-80.30000109.2T157 V161T157-V159 HydrophobicContact CG2-CG1 3.98Å; T157-V159 PolarHBondContact O-N 3.28Å; V159-V161 HydrophobicContact CG2-CG2 4.3Å; V159-V161 PolarHBondContact O-N 3.43Å
160P32.8Very low36Very low118 Ų118122.2 Ų122.277%0.76674%0.737SS**  trans-75.7103166.830.7-28.4000107.2S162P160-S162 PolarHBondContact O-N 3.25Å; P160-S162 VanDerWaalsContact O-N 3.09Å
161V35.6Very low35.7Very low122 Ų122118.6 Ų118.674%0.73973%0.733SS**  trans-78.796.1169.8-177.70000107.4V159 I163V159-V161 HydrophobicContact CG2-CG2 4.3Å; V159-V161 PolarHBondContact O-N 3.43Å; V161-I163 PolarHBondContact O-N 3.03Å
162S35.1Very low35.3Very low95 Ų95120.7 Ų120.766%0.66475%0.745SS**  trans-56.2125.7166-68.50000110P160 V164P160-S162 PolarHBondContact O-N 3.25Å; P160-S162 VanDerWaalsContact O-N 3.09Å; S162-V164 PolarHBondContact O-N 3.5Å
163I31.5Very low34.8Very low165 Ų165121.8 Ų121.885%0.84675%0.751SS**  trans-74100.3171.3-36.8166000105.7V161V161-I163 PolarHBondContact O-N 3.03Å
164V32.7Very low34.8Very low111 Ų111120.1 Ų120.167%0.67374%0.743SS**  trans-115.7101.6170172.70000108.4S162 T166S162-V164 PolarHBondContact O-N 3.5Å; V164-T166 HydrophobicContact CG1-CG2 4.2Å; V164-T166 PolarHBondContact O-N 3.41Å
165T30.2Very low35Very low127 Ų127127.8 Ų127.878%0.77975%0.75SS**  trans-53.3111.3155.8-60.50000109.8
166T36.6Very low34.7Very low119 Ų119126.5 Ų126.573%0.7375%0.746SS**  trans-146.1114.7153.844.80000110.4V164V164-T166 HydrophobicContact CG1-CG2 4.2Å; V164-T166 PolarHBondContact O-N 3.41Å
167L30.4Very low34.5Very low148 Ų148128.5 Ų128.578%0.77575%0.75SS**  trans-64.8145.2167.2-159.975.8000109.4T169L167-T169 VanDerWaalsContact CD2-OG1 3.32Å; L167-T169 WeakPolarHBondContact CD2-OG1 3.36Å
168P37.6Very low34.5Very low126 Ų126127.6 Ų127.682%0.81875%0.754SS**  trans-129.3121.9134.130.5-16.9000111.9
169T30.4Very low34.3Very low101 Ų101127.7 Ų127.762%0.6276%0.755SS**  trans-69.8163.1168.5-62.90000111.4L167L167-T169 VanDerWaalsContact CD2-OG1 3.32Å; L167-T169 WeakPolarHBondContact CD2-OG1 3.36Å
170L37.4Very low34.2Very low173 Ų173129.9 Ų129.991%0.90677%0.768SS**  trans99.2119.5168.9-52.2173.4000113.4
171G36.3Very low34Very low64 Ų64128.7 Ų128.766%0.6676%0.762SS**  cis164.1150.21.800000109.3
172L37Very low33.7Very low180 Ų180129 Ų12994%0.94277%0.765SS**  trans76.5125.3166.8-44171.6000114.3
173Q33.8Very low33.7Very low156 Ų156131.4 Ų131.473%0.72978%0.776SS**  cis-164.5145.336-158-101.120.500110.3
174P33.1Very low33.8Very low104 Ų104131.2 Ų131.268%0.67578%0.775SS**  trans-111.5148.9-172.538.3-27.9000113.9
175R37.3Very low34.1Very low232 Ų232133.1 Ų133.188%0.87579%0.787SS**  trans176.4149.3152.4-106.3176.1154.3111.8-2109.5
176S37Very low34.2Very low85 Ų85133.2 Ų133.259%0.59479%0.793SS**  cis-178.3127.1-31.346.90000105.7
177N32.3Very low34.3Very low165 Ų165133.1 Ų133.188%0.88280%0.797SS**  trans46.9128.1144.7-57.2-10.6000122.9
178A37Very low34.7Very low94 Ų94130.1 Ų130.178%0.77779%0.794SS**  157.3105.3123.500000108.5
179A29.3Very low35.1Very low94 Ų94130.7 Ų130.778%0.77780%0.795SS**  47.911687.800000113.6
180V34Very low35.7Very low148 Ų148131.6 Ų131.690%0.89780%0.802SS**  -176.3142.3124.6173.70000109.6
181S29.3Very low35.8Very low93 Ų93128.3 Ų128.365%0.6580%0.8SS**  trans-73.3162.2-172.1-49.30000117.2
182T29.1Very low36Very low128 Ų128128.7 Ų128.779%0.78580%0.804SS**  trans42.3124.3136.657.40000120.4
183T36.3Very low36.2Very low146 Ų146126.1 Ų126.190%0.89680%0.798SS**  -160138.9128.6-29.70000112.8
184L32.5Very low36.3Very low161 Ų161129.1 Ų129.184%0.84380%0.803SS**  trans-73.8149.8169.4-62.6152.3000110.9
185V39.4Very low36.7Very low152 Ų152132.4 Ų132.492%0.92181%0.813SS**  trans-149.5127.4145.2-77.70000111.8
186S31.2Very low36.5Very low128 Ų128125.8 Ų125.890%0.89580%0.799SS**  trans-90.7153.4167.1-81.40000110.9
187S38.9Very low36.7Very low117 Ų117129.2 Ų129.282%0.81881%0.81SS**  trans-171.8100156.9169.80000108
188A39.4Very low37.3Very low86 Ų86125.8 Ų125.871%0.71180%0.796SS**  77.490.375.100000116.1
189V45.2Very low37.5Very low137 Ų137127.5 Ų127.583%0.8380%0.797SS**  9.2145.8127.8-157.50000117.2
190P43.6Very low37.8Very low120 Ų120129.4 Ų129.478%0.77979%0.794SS**  -159.3166.17939.6-15.3000122.5
191A39.5Very low38.2Very low104 Ų104128 Ų12886%0.8679%0.786SS**  trans71133.7152.200000119.1
192G40.5Very low38.6Very low73 Ų73129.9 Ų129.975%0.75379%0.794SS**  cis123.6163.629.700000108.1
193P42.6Very low39.4Very low126 Ų126130 Ų13082%0.81880%0.797SS**  cis-137.5158.5-16.740.1-20.8000116.6
194R35.1Very low39.2Very low218 Ų218134.2 Ų134.282%0.82380%0.796SS**  trans37.8123.2131.7-150.4-178.6-166.3176.13.4122.2T196R194-T196 HydrophobicContact CG-CG2 4.48Å
195I41.4Very low39.7Very low174 Ų174133.8 Ų133.889%0.89279%0.794SS**  trans-136.5139.7141.5-66.1-168000110.2
196T34Very low39.6Very low93 Ų93133 Ų13357%0.57179%0.789SS**  trans-117.1170.3-175.5390000111.6R194R194-T196 HydrophobicContact CG-CG2 4.48Å
197L40.5Very low39.7Very low157 Ų157129.8 Ų129.882%0.82278%0.776SS**  trans108.7159.6148.8-116.782.7000118.7
198P45.3Very low39.9Very low92 Ų92131.6 Ų131.660%0.59778%0.782SS**  -139.8-153.1-88.446.3-28.2000114.9
199T40.4Very low39.8Very low131 Ų131135.3 Ų135.380%0.80479%0.789SS**  trans85.1145.5155.856.10000119.8
200N36.4Very low39.5Very low133 Ų133137.4 Ų137.471%0.71179%0.792SS**  cis-173.7165-6.2-172.13.3000110.5
201T41.3Very low39.1Very low119 Ų119137.5 Ų137.573%0.7380%0.796SS**  trans80.4120.9148.2500000124.6
202T38.9Very low38.9Very low133 Ų133137.3 Ų137.382%0.81679%0.788SS**  trans-82170.6153.445.30000111.4
203P44.4Very low39Very low131 Ų131140.4 Ų140.485%0.85179%0.792SS**  -148.7174.2107.135.8-16.8000116.4
204R33.5Very low38.9Very low233 Ų233139.8 Ų139.888%0.87979%0.791SS**  trans-118.4141.2-173.1175.6-169.3-170.4178.52.9108.2
205I41.7Very low39Very low153 Ų153134.8 Ų134.879%0.78579%0.789SS**  trans-161.7111.4162.4-90.9139.7000106.4
206V37.2Very low39Very low135 Ų135132.2 Ų132.282%0.81878%0.784SS**  57.4124.591.9-174.10000111.1
207G33.1Very low39.1Very low61 Ų61133.8 Ų133.863%0.62979%0.793SS**  cis142139.115.600000105.9
208T44.9Very low39.4Very low155 Ų155134.4 Ų134.495%0.95180%0.795SS**  trans-175.2150156.424.10000112.4
209L36.1Very low39.2Very low164 Ų164134.9 Ų134.986%0.85980%0.799SS**  trans-107.7176-161.3-70147.7000113.1
210M39.1Very low39.3Very low180 Ų180134.1 Ų134.189%0.88780%0.799SS**  trans88.6117.9149.6-46.3-173.672.900119.3
211S35.3Very low40Very low123 Ų123133.4 Ų133.486%0.8680%0.804SS**  178.6139.2111.2-174.20000110.8
212S35.5Very low40Very low99 Ų99133.6 Ų133.669%0.69281%0.807SS**  trans-122.8147.2-17147.30000109.8
213V41.7Very low40.3Very low139 Ų139133.6 Ų133.684%0.84281%0.807SS**  trans167153.1149.4-81.40000108
214S41.4Very low40Very low112 Ų112132.9 Ų132.978%0.78380%0.8SS**  cis-171.5153.6-24.1-90.90000106
215S37.1Very low40.5Very low114 Ų114128.6 Ų128.680%0.79780%0.8SS**  trans-71.2-170.3176.7-37.20000112.8
216P41.5Very low40.4Very low119 Ų119125.7 Ų125.777%0.77379%0.791SS**  cis-142.9158.43032.2-5.9000116.5
217V36.9Very low41.2Very low127 Ų127125.5 Ų125.577%0.7779%0.79SS**  51.5116.790.8-173.10000118.9
218I46.3Very low41.6Very low169 Ų169127.7 Ų127.787%0.86779%0.793SS**  trans-149.4131.5150.6-56.6-180000109.8
219P40.6Very low41.3Very low103 Ų103131.7 Ų131.767%0.66979%0.791SS**  trans-118.4163.2164.837.8-25.8000113.4
220S42.4Very low41.6Very low115 Ų115130.9 Ų130.980%0.80479%0.793SS**  trans142.8148.1137.863.30000116.8
221S50.5Low41.6Very low117 Ų117130.1 Ų130.182%0.81879%0.787SS**  trans106.6122.5158.976.80000119.9
222P41.2Very low42.1Very low123 Ų123129.7 Ų129.780%0.79978%0.782SS**  trans-126.6141156.336.7-23.2000112.5
223V45.8Very low42.8Very low133 Ų133129.2 Ų129.281%0.80678%0.776SS**  trans-158.4111.7168.1170.60000109
224T38.3Very low42.7Very low116 Ų116129.9 Ų129.971%0.71277%0.774SS**  64.7114107.3-46.40000117.8
225V42.8Very low42.7Very low144 Ų144132.8 Ų132.887%0.87378%0.78SS**  trans-154126.9137.8-170.30000110
226P40.8Very low43Very low92 Ų92131.4 Ų131.460%0.59778%0.776SS**  trans-118.6172.1163.237.1-24.7000113.6
227T52.9Low43.1Very low131 Ų131131.6 Ų131.680%0.80478%0.776SS**  trans86.8159.4159.669.90000119.4
228P41.8Very low43.3Very low107 Ų107130 Ų13070%0.69578%0.776SS**  cis-139164.1-18.522.52000116.7
229R38.6Very low43.8Very low238 Ų238127.7 Ų127.790%0.89877%0.773SS**  trans27126.7137.5-64176.6154.7137.7-4.5121.8
230T41.9Very low44.1Very low147 Ų147128.2 Ų128.290%0.90278%0.776SS**  -158113.4123.5-3.50000112.5
231Q40.8Very low44Very low164 Ų164133.5 Ų133.577%0.76678%0.778SS**  trans-78.6173.6154.1-131.7-169.4-38.900107.7
232P46Very low43.7Very low115 Ų115135 Ų13575%0.74778%0.783SS**  cis-152.7-153.949.347.9-22.9000112.8
233P49.8Very low43.2Very low89 Ų89134 Ų13458%0.57878%0.778SS**  -136.6-164.8-114.337.5-11.7000115
234L39.7Very low43Very low153 Ų153135.3 Ų135.380%0.80178%0.779SS**  trans68.1115151.8-65.8165.4000120.2
235L41.2Very low43Very low173 Ų173136 Ų13691%0.90678%0.782SS**  169.9121.8117.8-94.4144.1000111.5
236A42.3Very low42.9Very low85 Ų85135 Ų13570%0.70278%0.782SS**  trans-82.5-169.7159.300000109
237P43.7Very low42.8Very low122 Ų122134.9 Ų134.979%0.79279%0.789SS**  cis-138.9-175.8-10.536.7-15.7000114.7
238A41.7Very low42.5Very low93 Ų93134.8 Ų134.877%0.76979%0.789SS**  trans86.3131.1147.600000121.9
239P57.9Low42.2Very low121 Ų121136.1 Ų136.179%0.78679%0.79SS**  trans-99.9162.9160.338.2-28.7000111.4
240P46.2Very low42.4Very low114 Ų114134.5 Ų134.574%0.7479%0.785SS**  -155.1157.1118.233.6-13.4000117.3
241R40.7Very low42.3Very low226 Ų226135 Ų13585%0.85378%0.782SS**  trans54.9121.9137.9-68.8176.7147.7138.1-2.2121.3
242T43.9Very low42.2Very low148 Ų148131.5 Ų131.591%0.90878%0.781SS**  trans-146.2131.2131.140.30000110.4
243C31.4Very low41.9Very low104 Ų104130.4 Ų130.470%0.70378%0.782SS**  trans-109.1137.8-177.1-27.20000108.5
244I41.7Very low41.5Very low160 Ų160131.9 Ų131.982%0.82180%0.795SS**  trans-153.2101.7155.4-46.4178.3000106.5
245T37Very low41.4Very low129 Ų129130 Ų13079%0.79179%0.794SS**  57.7114.298.6-29.60000112
246S41.2Very low41.5Very low123 Ų123127.1 Ų127.186%0.8679%0.786SS**  -164.615275.639.90000114.1
247A38.9Very low41.5Very low91 Ų91130 Ų13075%0.75279%0.789SS**  trans-87.7160.7-170.200000115.1
248T45.5Very low41.5Very low129 Ų129130 Ų13079%0.79179%0.787SS**  -164.1141.6127.431.40000111
249N35.9Very low41.3Very low134 Ų134129.3 Ų129.372%0.71779%0.789SS**  trans-53.5170-174.9-65.3-55.7000114.6
250Y43.6Very low40.5Very low204 Ų204128.2 Ų128.280%0.879%0.791SS**  -165.7149.255.3-16.9-85.3000112.6
251D39.1Very low40.2Very low158 Ų158132.7 Ų132.785%0.84580%0.798SS**  trans44.6119.7156.2-79.9-26.9000121.9
252A38.6Very low40.2Very low90 Ų90132.9 Ų132.974%0.74480%0.801SS**  cis97.9108.947.200000112.9
253A40.1Very low39.6Very low93 Ų93137.1 Ų137.177%0.76980%0.8SS**  164.6120.9125.300000112.4
254S41.9Very low39.8Very low120 Ų120139.9 Ų139.984%0.83981%0.807SS**  trans51.7138.6143.163.60000120.4
255S37.7Very low39.5Very low113 Ų113136 Ų13679%0.7980%0.799SS**  cis-164.7148.713.7-167.20000108.9
256P43.6Very low39.6Very low112 Ų112138.8 Ų138.873%0.72780%0.803SS**  trans-105.4156-178.337.8-29000113.2
257N40.9Very low39.1Very low146 Ų146137.9 Ų137.978%0.78180%0.797SS**  trans-162.9130.7141.2-124.10.5000114.7
258T44Very low39.1Very low122 Ų122142.4 Ų142.475%0.74880%0.8SS**  trans51121.1142.556.60000119.1
259G37.6Very low38.7Very low79 Ų79141.7 Ų141.781%0.81480%0.8SS**  cis1049226.900000110.8
260A41.8Very low38.6Very low98 Ų98138.9 Ų138.981%0.8180%0.803SS**  trans-164.9123.815200000110.5
261K40.2Very low38.4Very low207 Ų207136.1 Ų136.190%0.981%0.807SS**  trans-101.5138.8177.9-58.9171.9179.9174.50108.1
262Y39Very low38.1Very low231 Ų231133.9 Ų133.991%0.90680%0.804SS**  trans-148.8132.1144.842.1-90.3000110
263R31.1Very low38Very low237 Ų237135.5 Ų135.589%0.89481%0.809SS**  trans-125123.1-176.1169.2-168.7-166-179.75.3105.7
264L36.5Very low37.7Very low162 Ų162137 Ų13785%0.84881%0.814SS**  trans-173.7103.7153-137.662.2000106.6
265A36.2Very low37.6Very low79 Ų79136 Ų13665%0.65381%0.813SS**  51.6107.989.600000113.8
266Q38.7Very low37.4Very low186 Ų186135.8 Ų135.887%0.86981%0.812SS**  169.8134.2120.1-92.7177.5-29.600111.5
267S30.2Very low37.2Very low105 Ų105136.5 Ų136.573%0.73481%0.814SS**  trans-85.9143162.5-48.80000108.8
268F38.9Very low37Very low186 Ų186135.4 Ų135.482%0.81681%0.812SS**  trans-172.3131.8141.8-86.6-61.4000111.6
269S36.7Very low36.5Very low114 Ų114134.5 Ų134.580%0.79781%0.811SS**  trans53.4131.2135.7-49.70000122.1
270G35.2Very low36.4Very low75 Ų75139.1 Ų139.177%0.77382%0.817SS**  trans-85-179-176.400000116.5
271V37.7Very low36Very low145 Ų145138.7 Ų138.788%0.87981%0.813SS**  trans-145.2127.4165.7-78.90000108.9
272S32.7Very low36Very low112 Ų112136.1 Ų136.178%0.78382%0.815SS**  trans-74.8147.7164.2-56.10000109.5
273S37.9Very low35.7Very low124 Ų124130 Ų13087%0.86781%0.812SS**  trans-154.8117.2156.3-72.70000109.9
274S33Very low36Very low123 Ų123123 Ų12386%0.8681%0.805SS**  trans-86.1151.5179.5-43.60000110.9
275A39.6Very low36Very low100 Ų100121.7 Ų121.783%0.82680%0.804SS**  trans-149.4120.4153.900000110.7
276S34.8Very low36Very low109 Ų109123.8 Ų123.876%0.76281%0.809SS**  trans-57.8172.2163.2430000111.6
277V37.9Very low35.8Very low127 Ų127121 Ų12177%0.7780%0.803SS**  -173.6123.783.9-165.50000110.2
278V37.7Very low36.1Very low123 Ų123121 Ų12175%0.74580%0.804SS**  trans61.6111.7132-173.40000120.9
279S32.8Very low36Very low103 Ų103118.7 Ų118.772%0.7281%0.805SS**  82.2123.287.9-47.10000116.9
280N35.6Very low35.9Very low176 Ų176122.9 Ų122.994%0.94180%0.804SS**  -167.7140.7124.9-114.425.1000112.1
281A33.8Very low35.9Very low88 Ų88128.5 Ų128.573%0.72781%0.807SS**  trans-109153.1-172.100000111.9
282T40.9Very low35.8Very low154 Ų154126.1 Ų126.195%0.94579%0.793SS**  trans-162.9144.6146.534.30000110.9
283A32.7Very low35.8Very low102 Ų102125.6 Ų125.684%0.84379%0.789SS**  trans-103.5158.2-16000000115.5
284A37Very low35.5Very low91 Ų91125.6 Ų125.675%0.75278%0.784SS**  trans-175.3104.1145.500000109.5
285T36.5Very low35.6Very low134 Ų134127.8 Ų127.882%0.82279%0.785SS**  55.1114.4103.5-350000113.3
286V35.3Very low35.3Very low123 Ų123130.8 Ų130.875%0.74579%0.786SS**  -175.7124.782165.50000110.6
287V35.5Very low35.2Very low126 Ų126128.7 Ų128.776%0.76478%0.782SS**  trans47.6108.7136.3-172.70000120.4
288S35.2Very low35.2Very low106 Ų106129.2 Ų129.274%0.74179%0.786SS**  78.9119.984.7-132.40000113.7
289T37Very low34.7Very low137 Ų137134.2 Ų134.284%0.8479%0.791SS**  -153.613870.541.70000115.4
290R35.7Very low35Very low203 Ų203134.4 Ų134.477%0.76679%0.79SS**  trans-61.1162.3163.8-90.2177.8176.1-164.6-0.6112.9T292R290-T292 HydrophobicContact CG-CG2 4.24Å
291F34.5Very low34.9Very low192 Ų192131.4 Ų131.484%0.84277%0.774SS**  -150.6122.772.8-76.2-87.6000110.4
292T35.1Very low34.9Very low95 Ų95137.4 Ų137.458%0.58378%0.779SS**  54130.28269.80000113.4R290R290-T292 HydrophobicContact CG-CG2 4.24Å
293S34.5Very low34.9Very low101 Ų101137.3 Ų137.371%0.70677%0.768SS**  cis-166.6124.843.244.20000109.6
294T30.1Very low35Very low124 Ų124139.1 Ų139.176%0.76176%0.764SS**  41.9120.194.9540000116.9
295I36.6Very low34.9Very low170 Ų170143.4 Ų143.487%0.87277%0.773SS**  -158.4133.1124-93.7153.1000109.3
296N32.2Very low34.9Very low162 Ų162146.7 Ų146.787%0.86677%0.77SS**  trans-80.7160.3175.3-66.8-25.4000111.2
297G33.7Very low35.1Very low65 Ų65146.8 Ų146.867%0.6777%0.774SS**  trans171.582.8162.200000115.7
298T36.4Very low35.1Very low139 Ų139146.4 Ų146.485%0.85377%0.766SS**  trans45.7121.8134.456.70000122
299R28.3Very low35Very low228 Ų228149.6 Ų149.686%0.8677%0.773SS**  trans-40.3154.5157.7-81.2172.6136.6-152.1-2.8113.9
300P38.1Very low34.6Very low106 Ų106146.5 Ų146.569%0.68876%0.761SS**  -127.5151.7114.535.6-28000113.5Y302P300-Y302 HydrophobicContact CB-CE2 4.32Å; P300-Y302 HydrophobicContact CG-CE2 4.36Å
301N34.5Very low34.2Very low113 Ų113142.4 Ų142.460%0.60476%0.763SS**  trans-74.9124.1170.3-179.4-12.9000108.8
302Y33.5Very low34.2Very low215 Ų215138.9 Ų138.984%0.84376%0.763SS**  trans-134.5124.3157.6-80.6-77.3000109.9P300P300-Y302 HydrophobicContact CB-CE2 4.32Å; P300-Y302 HydrophobicContact CG-CE2 4.36Å
303Q40.5Very low34Very low152 Ų152141 Ų14171%0.7178%0.776SS**  trans-75.6156.9173.9-57.3-179.8-27.400110.1
304N34.4Very low34.1Very low140 Ų140142 Ų14275%0.74978%0.782SS**  trans60.488.5157.2-67.9-61.8000117.6
305L35.4Very low34.3Very low180 Ų180140.6 Ų140.694%0.94278%0.784SS**  trans-146.1118.3143.9-77179000110.4
306R37.5Very low34.1Very low203 Ų203139 Ų13977%0.76678%0.782SS**  trans-48.9147167.7-80173.7158.5-166-5.1111.5I308R306-I308 HydrophobicContact CB-CG1 4.05Å; R306-I308 PolarHBondContact O-N 3.19Å; R306-I308 VanDerWaalsContact O-N 3.16Å
307P38.9Very low34.1Very low126 Ų126139.5 Ų139.582%0.81878%0.784SS**  trans-77.893151.330.3-23.6000108I309P307-I309 PolarHBondContact O-N 3.19Å
308I35Very low34Very low118 Ų118139.9 Ų139.961%0.60579%0.788SS**  trans-78.6114.2159.4-67.4176.1000106R306 A310R306-I308 HydrophobicContact CB-CG1 4.05Å; R306-I308 PolarHBondContact O-N 3.19Å; R306-I308 VanDerWaalsContact O-N 3.16Å; I308-A310 HydrophobicContact CG2-CB 4.1Å; I308-A310 PolarHBondContact O-N 3.44Å; I308-A310 VanDerWaalsContact O-N 3.13Å
309I32.5Very low34Very low173 Ų173141 Ų14189%0.88779%0.787SS**  trans-69.2102.1166.8-60.9168.5000106P307P307-I309 PolarHBondContact O-N 3.19Å
310A29.9Very low34.2Very low71 Ų71136.9 Ų136.959%0.58778%0.782SS**  trans-138.6116.4168.800000109.6I308I308-A310 HydrophobicContact CG2-CB 4.1Å; I308-A310 PolarHBondContact O-N 3.44Å; I308-A310 VanDerWaalsContact O-N 3.13Å
311S27.8Very low34.1Very low117 Ų117139.9 Ų139.982%0.81879%0.791SS**  trans55.8112.3136.9-47.80000119.5
312S34Very low34.1Very low118 Ų118137.8 Ų137.883%0.82579%0.79SS**  trans-147.193.6140.453.90000109.7
313T31.2Very low34.1Very low140 Ų140133 Ų13386%0.85979%0.788SS**  trans-67.2127.1155.943.70000108.9
314S35.2Very low34Very low121 Ų121134 Ų13485%0.84680%0.796SS**  trans-132.2135.1164.5-80.40000110.1
315A35.1Very low34.1Very low96 Ų96136.7 Ų136.779%0.79380%0.801SS**  trans-77.2161.6-159.500000115.7
316T31.4Very low34Very low135 Ų135133.3 Ų133.383%0.82879%0.793SS**  trans-51134.6160.924.30000113.4
317L32.6Very low34Very low173 Ų173129.9 Ų129.991%0.90679%0.794SS**  trans-121.1107.7147.6-76.9173.7000107.3
318G32.7Very low33.8Very low73 Ų73128.5 Ų128.575%0.75379%0.793SS**  trans-78.3138.7167.600000110.1
319I35.6Very low33.8Very low163 Ų163126.3 Ų126.384%0.83680%0.8SS**  trans-118.9112.3156.8-55.5-179.6000105.6
320N32.4Very low33.9Very low142 Ų142125.3 Ų125.376%0.75980%0.802SS**  trans-81.5124.2171.4-160.6-54.7000107.1
321L36.1Very low33.9Very low168 Ų168127.1 Ų127.188%0.8881%0.81SS**  trans-134.984.9163.1-154.172.3000108.2
322A34Very low34.2Very low70 Ų70126.7 Ų126.758%0.57981%0.813SS**  trans-70.9155.2162.600000110.9
323S34.7Very low34.2Very low114 Ų114125.8 Ų125.880%0.79781%0.807SS**  trans72.987.5162.3-71.90000118.5
324I38.6Very low34.5Very low173 Ų173125.9 Ų125.989%0.88781%0.807SS**  trans-138.1110.4131.7-50.9-179.7000108.1
325K35.1Very low34.8Very low197 Ų197124.5 Ų124.586%0.85780%0.795SS**  trans-86.4151.1170.5-81.8177.5173.7178.30109.7
326S33Very low35.1Very low109 Ų109125.9 Ų125.976%0.76280%0.796SS**  trans74128155-160.60000114.4
327V38.2Very low35.4Very low131 Ų131126.9 Ų126.979%0.79480%0.795SS**  -160.3132.454.3-175.60000110.7
328A34.6Very low35.5Very low96 Ų96126 Ų12679%0.79379%0.79SS**  trans37.8136.3144.800000126.1
329G35.1Very low35.6Very low73 Ų73133.4 Ų133.475%0.75380%0.795SS**  trans89126.3142.700000115.8
330V34.3Very low35.4Very low152 Ų152129.7 Ų129.792%0.92179%0.788SS**  cis-152.5139.526.6173.80000107.9
331S30.6Very low35.8Very low109 Ų109132.5 Ų132.576%0.76279%0.794SS**  trans-103140.7-177.6-173.30000110.9
332A33.4Very low35.7Very low108 Ų108130 Ų13089%0.89379%0.79SS**  trans-139.2102.2159.500000109
333S34.4Very low35.6Very low99 Ų99129.5 Ų129.569%0.69279%0.791SS**  trans-111.2129.9173.9148.20000108
334V38.5Very low35.7Very low141 Ų141134.8 Ų134.886%0.85580%0.795SS**  trans-109.8125.3170.4179.50000108.5
335P40.5Very low35.6Very low93 Ų93131.9 Ų131.960%0.60479%0.786SS**PPolyproline II helixtrans-91.2157-177.336.4-32.9000112
336P40.7Very low35.5Very low124 Ų124129.2 Ų129.281%0.80578%0.781SS**PPolyproline II helixtrans-88.7125.9164.632.8-26000110.4
337I38.4Very low35.5Very low157 Ų157128.4 Ų128.481%0.80577%0.772SS**PPolyproline II helixtrans-81.9126.9176.1-73.4172.6000110.3
338I34.4Very low35.5Very low155 Ų155132.2 Ų132.280%0.79577%0.773SS**PPolyproline II helixtrans-68.3134.5168.7-62.8163000109.6
339R34.2Very low35.4Very low228 Ų228132.8 Ų132.886%0.8677%0.771SS**  trans-145.8103.4156.2-172165.9-78-179.3-3.6111.6
340A32.7Very low35.7Very low84 Ų84135.5 Ų135.569%0.69478%0.776SS**  trans-71.8152.1164.800000111.2
341K40.6Very low35.8Very low202 Ų202131.5 Ų131.588%0.87877%0.765SS**  trans-163112.3147.3-105.4170.6-174-167.80111
342S34.7Very low36.2Very low115 Ų115134.8 Ų134.880%0.80477%0.772SS**  trans-44.7142.6151.2-177.70000110
343G30.1Very low36.2Very low59 Ų59137.1 Ų137.161%0.60877%0.769SS**  cis107.3109.838.900000107.9
344Y38.3Very low36.3Very low225 Ų225137.9 Ų137.988%0.88277%0.771SS**  trans170.7113.9140.6-107.8-102.1000111.6
345V36.9Very low35.9Very low113 Ų113135.5 Ų135.569%0.68577%0.767SS**  trans20121.7146.4-84.10000120.9
346N31Very low35.7Very low141 Ų141138.2 Ų138.275%0.75478%0.781SS**  84.6120.594.3-136.437.3000110.4
347T33.2Very low35.2Very low92 Ų92141 Ų14156%0.56478%0.783SS**  162.9139.286.6-690000111.7
348Y38Very low35.1Very low210 Ų210139.2 Ų139.282%0.82479%0.785SS**  trans62.4112157.1-57.2-47.1000125.4
349S34Very low35.3Very low109 Ų109141.2 Ų141.276%0.76279%0.788SS**  trans-8.3178.3138-44.90000121.9
350P40Very low35.3Very low130 Ų130136.9 Ų136.984%0.84479%0.787SS**  -134.4165.8-58.838.3-21.6000112.5
351G36.4Very low35.4Very low68 Ų68135.6 Ų135.670%0.70178%0.781SS**  trans163.6115.7162.900000119.1
352I39Very low35.4Very low177 Ų177131.3 Ų131.391%0.90878%0.777SS**  trans74.9122.3139.1-45177.3000119
353L33.7Very low35.6Very low158 Ų158133.5 Ų133.583%0.82778%0.779SS**  trans-68.5-177.8176.7-61.4170.3000113.9
354P37Very low36Very low114 Ų114138.2 Ų138.274%0.7479%0.79SS**  cis-132.6175.3-23.423.20.8000114.9
355A29.1Very low36Very low92 Ų92135.7 Ų135.776%0.7679%0.791SS**  trans66.397.3146.900000120.6
356V37.2Very low36Very low149 Ų149135.7 Ų135.790%0.90380%0.796SS**  trans-147.6136.7143-1790000110
357H30.7Very low36.6Very low182 Ų182136 Ų13684%0.84380%0.797SS**  trans-36.2133.8171.3-84.8-150.6000116.4
358S36.6Very low36.9Very low121 Ų121138.7 Ų138.785%0.84681%0.807SS**  trans-169.5108.7134.3-93.50000113.4
359K38.3Very low36.9Very low196 Ų196132.1 Ų132.185%0.85280%0.803SS**  36.4123.1124.7-107.3-172.3171.11690120.8
360V32.9Very low37.1Very low138 Ų138132 Ų13284%0.83680%0.803SS**  trans76.4122.8139.4-1660000118.4
361G35.6Very low37Very low57 Ų57132.4 Ų132.459%0.58880%0.803SS**  trans162.437.4158.100000117N363G361-N363 PolarHBondContact O-N 3.05Å
362S41.4Very low37.2Very low111 Ų111135 Ų13578%0.77681%0.805SS**  trans-75.9105.616929.60000110.2L364S362-L364 PolarHBondContact O-N 3.13Å
363N39.1Very low37.2Very low161 Ų161134.2 Ų134.286%0.86180%0.802SS**  trans-6992.7172-67.4-44000110.3G361G361-N363 PolarHBondContact O-N 3.05Å
364L37.9Very low37.6Very low159 Ų159134.4 Ų134.483%0.83280%0.802SS**  trans-103.6108.7163.4-76172000108.8S362 S366S362-L364 PolarHBondContact O-N 3.13Å; L364-S366 PolarHBondContact O-N 3.3Å
365L37.9Very low37.7Very low172 Ų172137 Ų13790%0.90180%0.804SS**  trans-67.796.9168.8-73.6159.4000108.4
366S37.7Very low38Very low112 Ų112136.2 Ų136.278%0.78381%0.805SS**  trans-90.9112.7168.9-174.90000108.6L364L364-S366 PolarHBondContact O-N 3.3Å
367L42.8Very low38.4Very low148 Ų148134 Ų13478%0.77579%0.792SS**  trans-116.3101.1168.3-76.3163.4000107.5
368N40Very low38.6Very low148 Ų148132.6 Ų132.679%0.79179%0.79SS**SBendtrans71.496149.2-51.14.5000117.2
369G37Very low39Very low72 Ų72137.6 Ų137.674%0.74279%0.79SS**SBendtrans100.3119.2147.400000116
370S37.9Very low39Very low107 Ų107137.5 Ų137.575%0.74879%0.79SS**  trans85.784.4172.4-55.70000116.7V372S370-V372 PolarHBondContact O-N 3.47Å
371T37.8Very low39.2Very low138 Ų138139.4 Ų139.485%0.84779%0.79SS**  trans-66.7112156.853.90000109.6
372V41.1Very low39.4Very low123 Ų123142.9 Ų142.975%0.74580%0.795SS**  trans-110.3114.6159175.10000106.8S370 I374S370-V372 PolarHBondContact O-N 3.47Å; V372-I374 PolarHBondContact O-N 3.11Å
373L38.6Very low39.3Very low160 Ų160144 Ų14484%0.83879%0.793SS**  trans-65122.2172.4-61169.7000108.1
374I43.6Very low39.4Very low162 Ų162143.5 Ų143.583%0.83179%0.789SS**  trans-112.990.3160.4-59.5-176.9000105.7V372 G376V372-I374 PolarHBondContact O-N 3.11Å; I374-G376 PolarHBondContact O-N 3.13Å
375E39.1Very low39.3Very low169 Ų169140.5 Ų140.579%0.7978%0.781SS**  trans-76108.8168.1-177.7166-17600107.8V377E375-V377 HydrophobicContact CG-CG2 4.04Å
376G34.4Very low39.3Very low75 Ų75142.4 Ų142.477%0.77378%0.783SS**  trans-82.9111.116800000109.2I374I374-G376 PolarHBondContact O-N 3.13Å
377V45.9Very low39.5Very low104 Ų104144.5 Ų144.563%0.6378%0.784SS**  trans-130105.8162.5-178.40000109E375E375-V377 HydrophobicContact CG-CG2 4.04Å
378D35.7Very low39Very low151 Ų151142.3 Ų142.381%0.80778%0.781SS**  trans-56.7122.7162.6-150.9-45.2000110
379R43.5Very low39Very low226 Ų226143 Ų14385%0.85379%0.785SS**  trans-172.7100.3158.4-104.8159.7-166.9-151.74.4113.1
380K40.1Very low39.2Very low195 Ų195145.6 Ų145.685%0.84878%0.782SS**  trans40.5105.8133.8-62.5-173175.7-172.90119.7
381Q36.4Very low39.5Very low177 Ų177148.7 Ų148.783%0.82779%0.788SS**  33.1108.6116.2-166.4123.59.900118.8
382N39.1Very low39.9Very low131 Ų131151.4 Ų151.470%0.70178%0.783SS**  171153.1119.8-94.2-9.9000112.7
383D40.4Very low40.2Very low135 Ų135153.4 Ų153.472%0.72278%0.784SS**  trans82.396162.3-54.9-27.8000118.1
384L40.9Very low40.8Very low150 Ų150151.1 Ų151.179%0.78578%0.779SS**  83.1117.677.8-99.1146.9000113.8
385S35.3Very low40.8Very low96 Ų96149.3 Ų149.367%0.67178%0.777SS**  trans60.8107.2148.961.30000118.9
386F38.1Very low40.9Very low211 Ų211149.9 Ų149.993%0.92578%0.782SS**  -153.1116.5113-129.7-99.4000109.5
387L41.9Very low41.1Very low156 Ų156150.1 Ų150.182%0.81777%0.772SS**  trans-76.7151.5174.6-85.9160.4000110.2
388S33.3Very low41.1Very low102 Ų102151.3 Ų151.371%0.71378%0.782SS**  trans98.5128153.9-55.10000118.2
389D39.1Very low41.6Very low162 Ų162149.7 Ų149.787%0.86678%0.778SS**  trans99.8128.9151.5-63.4-38.2000120.2
390D40.5Very low42Very low127 Ų127148 Ų14868%0.67977%0.771SS**  trans8197.7171.6-103.7-25.4000119.3R392D390-R392 PolarHBondContact O-N 2.97Å; D390-R392 IonicContact OD2-NH1 3.42Å; D390-R392 PolarHBondContact OD2-NH1 3.27Å
391I45.8Very low42.8Very low172 Ų172146.3 Ų146.388%0.88277%0.772SS**  trans-65.278.8158.5-58.5168.4000107.3
392R44.4Very low44.3Very low195 Ų195143.5 Ų143.574%0.73676%0.762SS**  trans-105.9118.9166.3-120.1180-173.6100.1-2.2108D390D390-R392 PolarHBondContact O-N 2.97Å; D390-R392 IonicContact OD2-NH1 3.42Å; D390-R392 PolarHBondContact OD2-NH1 3.27Å
393H48.3Very low45.7Very low165 Ų165138.3 Ų138.376%0.76474%0.736SS**  trans-36.5133.8170.2-61-83.3000111.3P395H393-P395 WeakPolarHBondContact O-CD 3.41Å; H393-P395 VanDerWaalsContact O-N 3.13Å
394P51.7Low47.5Very low113 Ų113138.7 Ų138.773%0.73473%0.731SS**  trans-59124.7172.925.7-30.5000107M396P394-M396 PolarHBondContact O-N 2.88Å
395P44Very low49.3Very low123 Ų123134.1 Ų134.180%0.79971%0.705SS**  trans-60120.1179.324.3-31.6000107.2H393 S397H393-P395 WeakPolarHBondContact O-CD 3.41Å; H393-P395 VanDerWaalsContact O-N 3.13Å; P395-S397 PolarHBondContact O-N 3.16Å
396M39.4Very low51.5Low181 Ų181133 Ų13389%0.89270%0.695SS**  trans-48.7111.4169.9-6717362.300107.1P394 P398P394-M396 PolarHBondContact O-N 2.88Å; M396-P398 WeakPolarHBondContact O-CD 3.44Å
397S40.3Very low53.5Low81 Ų81124.1 Ų124.157%0.56666%0.659SS**  trans-55.5120.5173.6520000108.1P395 T399P395-S397 PolarHBondContact O-N 3.16Å; S397-T399 PolarHBondContact O-N 3.5Å
398P44.4Very low55.2Low129 Ų129122.7 Ų122.784%0.83865%0.649SS**  trans-78.364174.533.9-32.3000107.8M396 R400M396-P398 WeakPolarHBondContact O-CD 3.44Å; P398-R400 PolarHBondContact O-N 2.92Å
399T47.7Very low57.5Low116 Ų116124.2 Ų124.271%0.71264%0.642SS**  trans-82.783.9172.649.50000108.1S397S397-T399 PolarHBondContact O-N 3.5Å
400R50.3Low59.5Low190 Ų190117 Ų11772%0.71761%0.605SS**  trans69.399.6155.5-65.8-178.9162.9161.7-4.3116.6P398 N402P398-R400 PolarHBondContact O-N 2.92Å; R400-N402 HydrophobicContact CB-CB 4.16Å; R400-N402 PolarHBondContact O-N 3.17Å
401D57Low61.5Low161 Ų161114.6 Ų114.686%0.86159%0.588SS**  trans-6142.7150.8-70.3-45.6000112.2P403D401-P403 WeakPolarHBondContact O-CD 3.44Å
402N68Low63.3Low118 Ų118112.6 Ų112.663%0.63158%0.575SS**  trans-83120.5171.6-86.446.9000107.6R400R400-N402 HydrophobicContact CB-CB 4.16Å; R400-N402 PolarHBondContact O-N 3.17Å
403P69.1Low65.1Low22 Ų22107.9 Ų107.914%0.14356%0.563CS.*  trans-58.5143.4176.522.5-31.3000110.8D401 F405 V428 A431D401-P403 WeakPolarHBondContact O-CD 3.44Å; P403-F405 WeakPolarHBondContact CB-O 3.4Å; P403-F405 WeakPolarHBondContact CG-O 3.47Å; P403-F405 CarbonylContact O-C 3.55Å; P403-F405 PolarHBondContact O-N 3.05Å; P403-F405 VanDerWaalsContact O-N 3.14Å; P403-V428 HydrophobicContact CG-CG1 4.41Å; P403-A431 HydrophobicContact CB-CB 3.38Å; P403-A431 HydrophobicContact CG-CB 3.79Å
404F77.1Confident66.7Low142 Ų142101.3 Ų101.362%0.62353%0.534SS*.SBendtrans-55.1-31.9175.5174.8-99.1000112Q435F404-Q435 HydrophobicContact CB-CB 4.28Å; F404-Q435 HydrophobicContact CB-CG 3.79Å
405F79.6Confident68.3Low55 Ų55100.9 Ų100.924%0.24152%0.522CS..SBendtrans-89.4123.5170.3-67.5-71.3000109.8P403 S407 V410 A431 L434 I438P403-F405 WeakPolarHBondContact CB-O 3.4Å; P403-F405 WeakPolarHBondContact CG-O 3.47Å; P403-F405 CarbonylContact O-C 3.55Å; P403-F405 PolarHBondContact O-N 3.05Å; P403-F405 VanDerWaalsContact O-N 3.14Å; F405-S407 PolarHBondContact O-N 3.31Å; F405-V410 HydrophobicContact CB-CG2 4.12Å; F405-A431 HydrophobicContact CB-CB 4.12Å; F405-L434 HydrophobicContact CD2-CB 3.69Å; F405-L434 HydrophobicContact CD2-CD1 4.49Å; F405-L434 HydrophobicContact CE2-CB 3.71Å; F405-I438 HydrophobicContact CE2-CD1 3.72Å; F405-I438 HydrophobicContact CZ-CD1 3.32Å
406P81.3Confident70.2Confident71 Ų7199.3 Ų99.346%0.46151%0.514SS..  trans-55.1124.8172.8-23.332.9000110.1E408 K409 V410P406-E408 PolarHBondContact O-N 3.06Å; P406-K409 HydrophobicContact CB-CG 4.36Å; P406-K409 HydrophobicContact CG-CD 4.44Å; P406-K409 PolarHBondContact O-N 2.89Å; P406-K409 VanDerWaalsContact O-N 3.1Å; P406-V410 PolarHBondContact O-N 3.18Å
407S79.6Confident72.2Confident25 Ų2597.4 Ų97.418%0.17550%0.502CS..Hα-helixtrans-56.7-35.6179.549.60000111.5F405 K409 V410 K411 E424F405-S407 PolarHBondContact O-N 3.31Å; S407-K409 PolarHBondContact O-N 2.97Å; S407-V410 PolarHBondContact O-N 3.48Å; S407-V410 VanDerWaalsContact O-N 3.15Å; S407-K411 WeakPolarHBondContact O-CB 3.22Å; S407-K411 PolarHBondContact O-N 3.45Å; S407-E424 WeakPolarHBondContact CB-OE1 3.45Å; S407-E424 PolarHBondContact OG-OE1 3.42Å
408E78.4Confident74.2Confident127 Ų12796.2 Ų96.259%0.59350%0.503SS*.Hα-helixtrans-57.3-42.1176.2-56.9-58.9167.100113.5P406 K411 E412P406-E408 PolarHBondContact O-N 3.06Å; E408-K411 WeakPolarHBondContact O-CB 3.49Å; E408-K411 PolarHBondContact O-N 3.04Å; E408-E412 WeakPolarHBondContact O-CB 3.23Å; E408-E412 PolarHBondContact O-N 3.17Å
409K81.1Confident75.8Confident133 Ų13394.2 Ų94.258%0.57848%0.484SS*.Hα-helixtrans-71.6-36.7178.2-72.1-169.5175.5-173.70111.6P406 S407 K411 I413P406-K409 HydrophobicContact CB-CG 4.36Å; P406-K409 HydrophobicContact CG-CD 4.44Å; P406-K409 PolarHBondContact O-N 2.89Å; P406-K409 VanDerWaalsContact O-N 3.1Å; S407-K409 PolarHBondContact O-N 2.97Å; K409-K411 VanDerWaalsContact C-N 3.3Å; K409-I413 WeakPolarHBondContact O-CD1 3.5Å; K409-I413 VanDerWaalsContact O-CG1 3.22Å; K409-I413 WeakPolarHBondContact O-CG1 3.44Å; K409-I413 PolarHBondContact O-N 3.17Å; K409-I413 VanDerWaalsContact O-N 3.07Å
410V81.1Confident77Confident12 Ų1297.4 Ų97.47%0.07349%0.488CS..Hα-helixtrans-64.1-42.8175.1178.50000109.2F405 P406 S407 I413 L414 I427 L430 A431F405-V410 HydrophobicContact CB-CG2 4.12Å; P406-V410 PolarHBondContact O-N 3.18Å; S407-V410 PolarHBondContact O-N 3.48Å; S407-V410 VanDerWaalsContact O-N 3.15Å; V410-I413 PolarHBondContact O-N 2.75Å; V410-L414 HydrophobicContact CG1-CD1 3.96Å; V410-L414 WeakPolarHBondContact O-CD1 3.27Å; V410-L414 PolarHBondContact O-N 3.19Å; V410-I427 HydrophobicContact CB-CG2 4.03Å; V410-I427 HydrophobicContact CG1-CG2 3.97Å; V410-L430 HydrophobicContact CG1-CD2 3.73Å; V410-L430 HydrophobicContact CG1-CG 4.27Å; V410-A431 HydrophobicContact CG2-CB 4.25Å
411K82.5Confident78.2Confident75 Ų7594.9 Ų94.933%0.32649%0.494SS..Hα-helixtrans-61.9-48.6175.5-170.9177.2174.9-177.30112.5S407 E408 K409 I413 L414 E415 I427S407-K411 WeakPolarHBondContact O-CB 3.22Å; S407-K411 PolarHBondContact O-N 3.45Å; E408-K411 WeakPolarHBondContact O-CB 3.49Å; E408-K411 PolarHBondContact O-N 3.04Å; K409-K411 VanDerWaalsContact C-N 3.3Å; K411-I413 VanDerWaalsContact C-N 3.29Å; K411-I413 PolarHBondContact O-N 3.01Å; K411-L414 PolarHBondContact O-N 3.43Å; K411-E415 WeakPolarHBondContact CE-OE1 3.33Å; K411-E415 HydrophobicContact CG-CG 4.42Å; K411-E415 WeakPolarHBondContact O-CB 3.37Å; K411-E415 WeakPolarHBondContact O-CG 3.09Å; K411-E415 PolarHBondContact O-N 2.9Å; K411-I427 HydrophobicContact CB-CD1 4.09Å; K411-I427 HydrophobicContact CD-CD1 4.21Å; K411-I427 HydrophobicContact CG-CD1 3.99Å
412E83.2Confident79.2Confident131 Ų13190.5 Ų90.561%0.61247%0.47SS*.Hα-helixtrans-55.5-44.4176.3-176.3-174.2176.700111.5E408 E415 S416E408-E412 WeakPolarHBondContact O-CB 3.23Å; E408-E412 PolarHBondContact O-N 3.17Å; E412-E415 PolarHBondContact O-N 3.28Å; E412-S416 WeakPolarHBondContact O-CB 3.49Å; E412-S416 PolarHBondContact O-N 3.2Å
413I83.1Confident79.9Confident96 Ų9689 Ų8949%0.49247%0.466SS..Hα-helixtrans-66.1-42.3176.7-65.3165.2000110.5K409 V410 K411 S416 H417K409-I413 WeakPolarHBondContact O-CD1 3.5Å; K409-I413 VanDerWaalsContact O-CG1 3.22Å; K409-I413 WeakPolarHBondContact O-CG1 3.44Å; K409-I413 PolarHBondContact O-N 3.17Å; K409-I413 VanDerWaalsContact O-N 3.07Å; V410-I413 PolarHBondContact O-N 2.75Å; K411-I413 VanDerWaalsContact C-N 3.29Å; K411-I413 PolarHBondContact O-N 3.01Å; I413-S416 PolarHBondContact O-N 3.39Å; I413-S416 PolarHBondContact O-OG 3.05Å; I413-H417 PolarHBondContact O-N 2.69Å; I413-H417 PolarHBondContact O-ND1 2.88Å
414L82.4Confident80.6Confident27 Ų2792.1 Ų92.114%0.14148%0.478CS..Hα-helixtrans-65.3-39.9178.3-95.166.3000112.3V410 K411 H417 G418 I419 L422 L430V410-L414 HydrophobicContact CG1-CD1 3.96Å; V410-L414 WeakPolarHBondContact O-CD1 3.27Å; V410-L414 PolarHBondContact O-N 3.19Å; K411-L414 PolarHBondContact O-N 3.43Å; L414-H417 CarbonylContact O-C 3.47Å; L414-H417 PolarHBondContact O-N 3.26Å; L414-G418 PolarHBondContact O-N 3.4Å; L414-I419 HydrophobicContact CB-CB 4.47Å; L414-I419 PolarHBondContact O-N 3.13Å; L414-L422 HydrophobicContact CD2-CD2 3.38Å; L414-L430 HydrophobicContact CD1-CD2 3.97Å; L414-L430 HydrophobicContact CD2-CD2 4.27Å
415E84Confident81.1Confident104 Ų10492.8 Ų92.849%0.48648%0.483SS..Hα-helixtrans-64.6-40.5175.3-73.9178.9-174.700111.4K411 E412 H417 G418K411-E415 WeakPolarHBondContact CE-OE1 3.33Å; K411-E415 HydrophobicContact CG-CG 4.42Å; K411-E415 WeakPolarHBondContact O-CB 3.37Å; K411-E415 WeakPolarHBondContact O-CG 3.09Å; K411-E415 PolarHBondContact O-N 2.9Å; E412-E415 PolarHBondContact O-N 3.28Å; E415-H417 PolarHBondContact O-N 3Å; E415-G418 PolarHBondContact O-N 3.08Å
416S85.2Confident81.5Confident90 Ų9092.4 Ų92.463%0.62949%0.487SS*.Hα-helixtrans-62.5-26.1174.674.90000113.3E412 I413E412-S416 WeakPolarHBondContact O-CB 3.49Å; E412-S416 PolarHBondContact O-N 3.2Å; I413-S416 PolarHBondContact O-N 3.39Å; I413-S416 PolarHBondContact O-OG 3.05Å
417H81.1Confident81.8Confident141 Ų14189.2 Ų89.265%0.65347%0.467SS*.THydrogen-bonded Turntrans-93.510176-67.877.1000113.1I413 L414 E415I413-H417 PolarHBondContact O-N 2.69Å; I413-H417 PolarHBondContact O-ND1 2.88Å; L414-H417 CarbonylContact O-C 3.47Å; L414-H417 PolarHBondContact O-N 3.26Å; E415-H417 PolarHBondContact O-N 3Å
418G81.6Confident82.2Confident56 Ų5690.4 Ų90.458%0.57747%0.473SS*.THydrogen-bonded Turntrans84.510173.600000115.6L414 E415L414-G418 PolarHBondContact O-N 3.4Å; E415-G418 PolarHBondContact O-N 3.08Å
419I77.4Confident82.7Confident87 Ų8788.1 Ų88.145%0.44647%0.471SS..  trans-95.798.5-178.8-54.2171.9000108.9L414L414-I419 HydrophobicContact CB-CB 4.47Å; L414-I419 PolarHBondContact O-N 3.13Å
420K73.4Confident83.1Confident182 Ų18285.2 Ų85.279%0.79146%0.461SS*.  trans-98.6-8.6-174.4-64-178.6-179.5179.70115.2
421T76.6Confident83.4Confident137 Ų13784.7 Ų84.784%0.8446%0.458SS*.  trans-118.233.7-164.460.50000114
422L77.3Confident83.7Confident70 Ų7085.6 Ų85.637%0.36646%0.463SS..  trans-97129.9-179.4-164.261000111.1L414 S426 I427L414-L422 HydrophobicContact CD2-CD2 3.38Å; L422-S426 VanDerWaalsContact CD1-CB 3.42Å; L422-I427 HydrophobicContact CB-CG1 4.35Å; L422-I427 HydrophobicContact CD2-CG1 3.86Å; L422-I427 HydrophobicContact CG-CG1 4.1Å
423T83.4Confident84.1Confident87 Ų8781.1 Ų81.153%0.53445%0.452SS..  trans-63.8146.6176.456.70000110.9E425 S426 I427T423-E425 PolarHBondContact O-N 2.77Å; T423-S426 WeakPolarHBondContact O-CA 3.4Å; T423-S426 WeakPolarHBondContact O-CB 3.31Å; T423-S426 PolarHBondContact O-N 3.28Å; T423-S426 WeakPolarHBondContact OG1-CB 3.49Å; T423-S426 PolarHBondContact OG1-OG 3.13Å; T423-I427 PolarHBondContact O-N 3.36Å; T423-I427 VanDerWaalsContact O-N 3.14Å
424E83.9Confident84.5Confident86 Ų8679.8 Ų79.840%0.40245%0.445SS..Hα-helixtrans-56.8-38.6-179.9-173.259.7-152.900111.7S407 S426 I427 V428S407-E424 WeakPolarHBondContact CB-OE1 3.45Å; S407-E424 PolarHBondContact OG-OE1 3.42Å; E424-S426 VanDerWaalsContact C-N 3.27Å; E424-S426 PolarHBondContact O-N 3.07Å; E424-I427 WeakPolarHBondContact O-CB 3.41Å; E424-I427 PolarHBondContact O-N 3.35Å; E424-I427 VanDerWaalsContact O-N 3.09Å; E424-V428 WeakPolarHBondContact O-CG2 3.39Å; E424-V428 PolarHBondContact O-N 3.23Å
425E86.1Confident84.9Confident157 Ų15780.2 Ų80.273%0.73445%0.447SS*.Hα-helixtrans-60-35.8175.4-63-171.7160.800113T423 S429T423-E425 PolarHBondContact O-N 2.77Å; E425-S429 VanDerWaalsContact O-CB 3.3Å; E425-S429 WeakPolarHBondContact O-CB 3.36Å; E425-S429 PolarHBondContact O-N 3.42Å; E425-S429 PolarHBondContact O-OG 3.37Å
426S89.2Confident85.2Confident46 Ų4679.5 Ų79.532%0.32245%0.445SS..Hα-helixtrans-71.9-35.2176.6-60.50000111.5L422 T423 E424 S429 L430L422-S426 VanDerWaalsContact CD1-CB 3.42Å; T423-S426 WeakPolarHBondContact O-CA 3.4Å; T423-S426 WeakPolarHBondContact O-CB 3.31Å; T423-S426 PolarHBondContact O-N 3.28Å; T423-S426 WeakPolarHBondContact OG1-CB 3.49Å; T423-S426 PolarHBondContact OG1-OG 3.13Å; E424-S426 VanDerWaalsContact C-N 3.27Å; E424-S426 PolarHBondContact O-N 3.07Å; S426-S429 PolarHBondContact O-N 2.67Å; S426-L430 WeakPolarHBondContact O-CB 3.37Å; S426-L430 PolarHBondContact O-N 3.35Å
427I86.7Confident85.6Confident5 Ų581.6 Ų81.63%0.02644%0.443CS..Hα-helixtrans-66.5-45.5174.9-62.9171.6000110V410 K411 L422 T423 E424 S429 L430 A431V410-I427 HydrophobicContact CB-CG2 4.03Å; V410-I427 HydrophobicContact CG1-CG2 3.97Å; K411-I427 HydrophobicContact CB-CD1 4.09Å; K411-I427 HydrophobicContact CD-CD1 4.21Å; K411-I427 HydrophobicContact CG-CD1 3.99Å; L422-I427 HydrophobicContact CB-CG1 4.35Å; L422-I427 HydrophobicContact CD2-CG1 3.86Å; L422-I427 HydrophobicContact CG-CG1 4.1Å; T423-I427 PolarHBondContact O-N 3.36Å; T423-I427 VanDerWaalsContact O-N 3.14Å; E424-I427 WeakPolarHBondContact O-CB 3.41Å; E424-I427 PolarHBondContact O-N 3.35Å; E424-I427 VanDerWaalsContact O-N 3.09Å; I427-S429 VanDerWaalsContact C-N 3.33Å; I427-S429 PolarHBondContact O-N 2.9Å; I427-L430 WeakPolarHBondContact O-CB 3.5Å; I427-L430 PolarHBondContact O-N 3Å; I427-A431 WeakPolarHBondContact O-CB 3.23Å; I427-A431 PolarHBondContact O-N 2.91Å
428V88.1Confident86.3Confident50 Ų5078.6 Ų78.630%0.30343%0.431SS..Hα-helixtrans-61.2-43.1174.8174.30000110.8P403 E424 L430 A431 H432P403-V428 HydrophobicContact CG-CG1 4.41Å; E424-V428 WeakPolarHBondContact O-CG2 3.39Å; E424-V428 PolarHBondContact O-N 3.23Å; V428-L430 VanDerWaalsContact C-N 3.35Å; V428-L430 PolarHBondContact O-N 2.96Å; V428-A431 PolarHBondContact O-N 3.25Å; V428-H432 PolarHBondContact O-N 3Å
429S88.6Confident86.9Confident79 Ų7981.7 Ų81.755%0.55243%0.429SS*.Hα-helixtrans-62-40.8175.7-63.30000112.3E425 S426 I427 H432 G433E425-S429 VanDerWaalsContact O-CB 3.3Å; E425-S429 WeakPolarHBondContact O-CB 3.36Å; E425-S429 PolarHBondContact O-N 3.42Å; E425-S429 PolarHBondContact O-OG 3.37Å; S426-S429 PolarHBondContact O-N 2.67Å; I427-S429 VanDerWaalsContact C-N 3.33Å; I427-S429 PolarHBondContact O-N 2.9Å; S429-H432 PolarHBondContact O-N 2.72Å; S429-G433 PolarHBondContact O-N 3.49Å
430L89.1Confident87.7Confident72 Ų7281.1 Ų81.138%0.37743%0.427SS..Hα-helixtrans-64.3-44175.2-178.861.4000111.2V410 L414 S426 I427 V428 H432 G433 L434V410-L430 HydrophobicContact CG1-CD2 3.73Å; V410-L430 HydrophobicContact CG1-CG 4.27Å; L414-L430 HydrophobicContact CD1-CD2 3.97Å; L414-L430 HydrophobicContact CD2-CD2 4.27Å; S426-L430 WeakPolarHBondContact O-CB 3.37Å; S426-L430 PolarHBondContact O-N 3.35Å; I427-L430 WeakPolarHBondContact O-CB 3.5Å; I427-L430 PolarHBondContact O-N 3Å; V428-L430 VanDerWaalsContact C-N 3.35Å; V428-L430 PolarHBondContact O-N 2.96Å; L430-H432 VanDerWaalsContact C-N 3.32Å; L430-H432 PolarHBondContact O-N 2.81Å; L430-G433 PolarHBondContact O-N 2.81Å; L430-L434 WeakPolarHBondContact O-CG 3.18Å; L430-L434 PolarHBondContact O-N 2.9Å
431A88.6Confident88.7Confident0 Ų077.3 Ų77.30%041%0.414CS..Hα-helixtrans-62.8-39.2177.400000111.7P403 F405 V410 I427 V428 Q435P403-A431 HydrophobicContact CB-CB 3.38Å; P403-A431 HydrophobicContact CG-CB 3.79Å; F405-A431 HydrophobicContact CB-CB 4.12Å; V410-A431 HydrophobicContact CG2-CB 4.25Å; I427-A431 WeakPolarHBondContact O-CB 3.23Å; I427-A431 PolarHBondContact O-N 2.91Å; V428-A431 PolarHBondContact O-N 3.25Å; A431-Q435 PolarHBondContact O-N 3.15Å
432H89.6Confident89.6Confident95 Ų9576.2 Ų76.244%0.4440%0.403SS..Hα-helixtrans-66.6-41.7171.8-162.283.3000112.1V428 S429 L430 L434 Q435 I436V428-H432 PolarHBondContact O-N 3Å; S429-H432 PolarHBondContact O-N 2.72Å; L430-H432 VanDerWaalsContact C-N 3.32Å; L430-H432 PolarHBondContact O-N 2.81Å; H432-L434 PolarHBondContact O-N 3.24Å; H432-Q435 WeakPolarHBondContact O-CB 3.49Å; H432-Q435 PolarHBondContact O-N 2.93Å; H432-Q435 VanDerWaalsContact O-N 3.16Å; H432-I436 VanDerWaalsContact CD2-CD1 3.42Å; H432-I436 WeakPolarHBondContact CD2-CD1 3.37Å; H432-I436 WeakPolarHBondContact O-CG1 3.42Å; H432-I436 PolarHBondContact O-N 2.87Å
433G91.1Very high90.5Very high36 Ų3675.8 Ų75.837%0.37141%0.405SS..Hα-helixtrans-59.7-42.3174.700000112.9S429 L430 I436 F437S429-G433 PolarHBondContact O-N 3.49Å; L430-G433 PolarHBondContact O-N 2.81Å; G433-I436 PolarHBondContact O-N 3.19Å; G433-F437 WeakPolarHBondContact O-CB 3.39Å; G433-F437 PolarHBondContact O-N 2.88Å
434L91.1Very high91Very high68 Ų6876.7 Ų76.736%0.35640%0.402SS..Hα-helixtrans-63.9-40.3173.5-71.5173.1000111.9F405 L430 H432 F437 I438F405-L434 HydrophobicContact CD2-CB 3.69Å; F405-L434 HydrophobicContact CD2-CD1 4.49Å; F405-L434 HydrophobicContact CE2-CB 3.71Å; L430-L434 WeakPolarHBondContact O-CG 3.18Å; L430-L434 PolarHBondContact O-N 2.9Å; H432-L434 PolarHBondContact O-N 3.24Å; L434-F437 WeakPolarHBondContact O-CB 3.44Å; L434-F437 PolarHBondContact O-N 2.95Å; L434-I438 PolarHBondContact O-N 3.28Å
435Q90.2Very high91.5Very high37 Ų3777.3 Ų77.317%0.17341%0.408CS..Hα-helixtrans-62.1-46.6175.4-173.3-174.77.700111.5F404 A431 H432 F437 I438 K439F404-Q435 HydrophobicContact CB-CB 4.28Å; F404-Q435 HydrophobicContact CB-CG 3.79Å; A431-Q435 PolarHBondContact O-N 3.15Å; H432-Q435 WeakPolarHBondContact O-CB 3.49Å; H432-Q435 PolarHBondContact O-N 2.93Å; H432-Q435 VanDerWaalsContact O-N 3.16Å; Q435-F437 VanDerWaalsContact C-N 3.31Å; Q435-F437 PolarHBondContact O-N 3.03Å; Q435-I438 PolarHBondContact O-N 2.96Å; Q435-K439 HydrophobicContact CG-CD 4.39Å; Q435-K439 WeakPolarHBondContact O-CG 2.88Å; Q435-K439 PolarHBondContact O-N 3.36Å
436I91.3Very high91.8Very high89 Ų8978.8 Ų78.846%0.45641%0.406SS..Hα-helixtrans-61.4-41.7175.9-67.3170.3000110.6H432 G433 I438 K439 N440H432-I436 VanDerWaalsContact CD2-CD1 3.42Å; H432-I436 WeakPolarHBondContact CD2-CD1 3.37Å; H432-I436 WeakPolarHBondContact O-CG1 3.42Å; H432-I436 PolarHBondContact O-N 2.87Å; G433-I436 PolarHBondContact O-N 3.19Å; I436-I438 PolarHBondContact O-N 3.46Å; I436-K439 PolarHBondContact O-N 2.87Å; I436-N440 WeakPolarHBondContact O-CB 3.42Å; I436-N440 PolarHBondContact O-N 3.42Å
437F94.2Very high92Very high134 Ų13479.8 Ų79.859%0.58841%0.407SS*.Hα-helixtrans-58.9-45.7178.2174.9-107.5000112.3G433 L434 Q435 N440 L441G433-F437 WeakPolarHBondContact O-CB 3.39Å; G433-F437 PolarHBondContact O-N 2.88Å; L434-F437 WeakPolarHBondContact O-CB 3.44Å; L434-F437 PolarHBondContact O-N 2.95Å; Q435-F437 VanDerWaalsContact C-N 3.31Å; Q435-F437 PolarHBondContact O-N 3.03Å; F437-N440 WeakPolarHBondContact O-CB 3.25Å; F437-N440 PolarHBondContact O-N 2.98Å; F437-L441 PolarHBondContact O-N 3.05Å
438I94.6Very high92.2Very high78 Ų7883.5 Ų83.540%0.443%0.43SS..Hα-helixtrans-68.4-40.9177.6-69.2173.6000111.5F405 L434 Q435 I436 N440 L441 L442F405-I438 HydrophobicContact CE2-CD1 3.72Å; F405-I438 HydrophobicContact CZ-CD1 3.32Å; L434-I438 PolarHBondContact O-N 3.28Å; Q435-I438 PolarHBondContact O-N 2.96Å; I436-I438 PolarHBondContact O-N 3.46Å; I438-N440 VanDerWaalsContact C-N 3.26Å; I438-N440 PolarHBondContact O-N 3.23Å; I438-L441 PolarHBondContact O-N 2.97Å; I438-L442 WeakPolarHBondContact O-CB 3.25Å; I438-L442 PolarHBondContact O-N 3.04Å
439K93.4Very high92.4Very high120 Ų12084 Ų8452%0.52243%0.433SS..Hα-helixtrans-57-42.2173.2-75.4175.9175.7176.60111.2Q435 I436 L442 S443Q435-K439 HydrophobicContact CG-CD 4.39Å; Q435-K439 WeakPolarHBondContact O-CG 2.88Å; Q435-K439 PolarHBondContact O-N 3.36Å; I436-K439 PolarHBondContact O-N 2.87Å; K439-L442 PolarHBondContact O-N 3.47Å; K439-S443 PolarHBondContact O-N 3.11Å
440N94.7Very high92.2Very high76 Ų7682.9 Ų82.941%0.40643%0.425SS..Hα-helixtrans-65.7-43.8176.3-168.7-16.2000111.7I436 F437 I438 L442 S443 K444I436-N440 WeakPolarHBondContact O-CB 3.42Å; I436-N440 PolarHBondContact O-N 3.42Å; F437-N440 WeakPolarHBondContact O-CB 3.25Å; F437-N440 PolarHBondContact O-N 2.98Å; I438-N440 VanDerWaalsContact C-N 3.26Å; I438-N440 PolarHBondContact O-N 3.23Å; N440-L442 VanDerWaalsContact C-N 3.32Å; N440-L442 PolarHBondContact O-N 2.88Å; N440-S443 WeakPolarHBondContact O-CB 3.46Å; N440-S443 PolarHBondContact O-N 3.39Å; N440-K444 WeakPolarHBondContact O-CG 3.34Å; N440-K444 PolarHBondContact O-N 3.44Å; N440-K444 WeakPolarHBondContact OD1-CE 3.44Å
441L95.9Very high92.1Very high102 Ų10285.7 Ų85.753%0.53444%0.436SS..Hα-helixtrans-61.1-41.1175.5-174.461.2000112F437 I438 K444 L445F437-L441 PolarHBondContact O-N 3.05Å; I438-L441 PolarHBondContact O-N 2.97Å; L441-K444 PolarHBondContact O-N 3.25Å; L441-L445 PolarHBondContact O-N 3.11Å
442L95.3Very high92Very high114 Ų11495.7 Ų95.760%0.59747%0.474SS*.Hα-helixtrans-65.4-38.8176.1-172.562.7000111.7I438 K439 N440 L445 R446I438-L442 WeakPolarHBondContact O-CB 3.25Å; I438-L442 PolarHBondContact O-N 3.04Å; K439-L442 PolarHBondContact O-N 3.47Å; N440-L442 VanDerWaalsContact C-N 3.32Å; N440-L442 PolarHBondContact O-N 2.88Å; L442-L445 HydrophobicContact CD1-CD2 4.48Å; L442-L445 PolarHBondContact O-N 2.68Å; L442-R446 WeakPolarHBondContact O-CB 3.3Å; L442-R446 PolarHBondContact O-N 3.03Å
443S94.4Very high91.7Very high60 Ų6097.3 Ų97.342%0.4249%0.485SS..Hα-helixtrans-61.5-43172.8-172.10000112K439 N440 L445 R446 I447K439-S443 PolarHBondContact O-N 3.11Å; N440-S443 WeakPolarHBondContact O-CB 3.46Å; N440-S443 PolarHBondContact O-N 3.39Å; S443-L445 PolarHBondContact O-N 2.94Å; S443-R446 WeakPolarHBondContact O-CB 3.47Å; S443-R446 PolarHBondContact O-N 3.49Å; S443-I447 WeakPolarHBondContact O-CG1 3.2Å; S443-I447 PolarHBondContact O-N 3.06Å
444K95.3Very high91.1Very high107 Ų10799.9 Ų99.947%0.46549%0.49SS..Hα-helixtrans-63.4-42173.7-69.4175.5-178.3176.10112.2N440 L441 R446 I447 V448N440-K444 WeakPolarHBondContact O-CG 3.34Å; N440-K444 PolarHBondContact O-N 3.44Å; N440-K444 WeakPolarHBondContact OD1-CE 3.44Å; L441-K444 PolarHBondContact O-N 3.25Å; K444-R446 VanDerWaalsContact C-N 3.34Å; K444-I447 PolarHBondContact O-N 3.1Å; K444-V448 PolarHBondContact O-N 3.34Å
445L94.9Very high90.1Very high99 Ų99106.3 Ų106.352%0.51851%0.51SS..Hα-helixtrans-63.3-41.1176.3-178.160.7000111.3L441 L442 S443 I447 V448 V449L441-L445 PolarHBondContact O-N 3.11Å; L442-L445 HydrophobicContact CD1-CD2 4.48Å; L442-L445 PolarHBondContact O-N 2.68Å; S443-L445 PolarHBondContact O-N 2.94Å; L445-I447 VanDerWaalsContact C-N 3.3Å; L445-I447 PolarHBondContact O-N 3.08Å; L445-V448 PolarHBondContact O-N 3.29Å; L445-V448 VanDerWaalsContact O-N 3.17Å; L445-V449 HydrophobicContact CD1-CG2 4.2Å; L445-V449 HydrophobicContact CG-CG2 4.29Å; L445-V449 WeakPolarHBondContact O-CG2 3.43Å; L445-V449 PolarHBondContact O-N 2.8Å
446R92.1Very high89.1Confident188 Ų188109.9 Ų109.971%0.70953%0.529SS*.Hα-helixtrans-53.5-47.6174.2176.5-175.1174.5174.40.2111L442 S443 K444 V448 V449 S450L442-R446 WeakPolarHBondContact O-CB 3.3Å; L442-R446 PolarHBondContact O-N 3.03Å; S443-R446 WeakPolarHBondContact O-CB 3.47Å; S443-R446 PolarHBondContact O-N 3.49Å; K444-R446 VanDerWaalsContact C-N 3.34Å; R446-V448 PolarHBondContact O-N 3.43Å; R446-V449 PolarHBondContact O-N 3.42Å; R446-S450 PolarHBondContact O-N 3.27Å; R446-S450 PolarHBondContact O-OG 2.88Å; R446-S450 VanDerWaalsContact O-OG 3.13Å
447I92.3Very high88Confident67 Ų67109.4 Ų109.434%0.34455%0.546SS..Hα-helixtrans-60.8-45.6178.5-63.2165000111.3S443 K444 L445 V449 S450 H451 W674S443-I447 WeakPolarHBondContact O-CG1 3.2Å; S443-I447 PolarHBondContact O-N 3.06Å; K444-I447 PolarHBondContact O-N 3.1Å; L445-I447 VanDerWaalsContact C-N 3.3Å; L445-I447 PolarHBondContact O-N 3.08Å; I447-V449 VanDerWaalsContact C-N 3.34Å; I447-V449 PolarHBondContact O-N 3.48Å; I447-S450 WeakPolarHBondContact O-CB 3.41Å; I447-S450 PolarHBondContact O-N 2.62Å; I447-H451 PolarHBondContact O-CD2 3.45Å; I447-H451 PolarHBondContact O-N 3.14Å; I447-W674 HydrophobicContact CD1-CH2 4.35Å; I447-W674 HydrophobicContact CD1-CZ2 4.31Å
448V91.4Very high86.6Confident83 Ų83110.1 Ų110.150%0.50355%0.552SS.*Hα-helixtrans-63.4-41.1178.3175.70000111.3K444 L445 R446 H451 R452K444-V448 PolarHBondContact O-N 3.34Å; L445-V448 PolarHBondContact O-N 3.29Å; L445-V448 VanDerWaalsContact O-N 3.17Å; R446-V448 PolarHBondContact O-N 3.43Å; V448-H451 PolarHBondContact O-N 3.39Å; V448-R452 WeakPolarHBondContact O-CG 3.47Å; V448-R452 PolarHBondContact O-N 2.86Å; V448-R452 VanDerWaalsContact O-N 3.13Å
449V91.2Very high85.3Confident61 Ų61109.6 Ų109.637%0.3755%0.55SS..Hα-helixtrans-65.1-41.7176.7172.40000110.8L445 R446 I447 R452 L453L445-V449 HydrophobicContact CD1-CG2 4.2Å; L445-V449 HydrophobicContact CG-CG2 4.29Å; L445-V449 WeakPolarHBondContact O-CG2 3.43Å; L445-V449 PolarHBondContact O-N 2.8Å; R446-V449 PolarHBondContact O-N 3.42Å; I447-V449 VanDerWaalsContact C-N 3.34Å; I447-V449 PolarHBondContact O-N 3.48Å; V449-R452 PolarHBondContact O-N 2.99Å; V449-R452 VanDerWaalsContact O-N 3.11Å; V449-L453 HydrophobicContact CG1-CD1 3.76Å; V449-L453 HydrophobicContact CG1-CG 4.24Å; V449-L453 WeakPolarHBondContact O-CG 3.39Å; V449-L453 PolarHBondContact O-N 2.85Å
450S85.9Confident84.1Confident54 Ų54109.8 Ų109.838%0.37857%0.566SS.*Hα-helixtrans-55.6-52.3173.4-65.80000111.5R446 I447 R452 L453 D454R446-S450 PolarHBondContact O-N 3.27Å; R446-S450 PolarHBondContact O-OG 2.88Å; R446-S450 VanDerWaalsContact O-OG 3.13Å; I447-S450 WeakPolarHBondContact O-CB 3.41Å; I447-S450 PolarHBondContact O-N 2.62Å; S450-R452 PolarHBondContact O-N 2.93Å; S450-R452 VanDerWaalsContact O-N 3.13Å; S450-L453 PolarHBondContact O-N 3.09Å; S450-L453 VanDerWaalsContact O-N 3.08Å; S450-D454 PolarHBondContact O-N 3.35Å
451H86.9Confident83.1Confident131 Ų131116.1 Ų116.161%0.60658%0.584SS**Hα-helixtrans-61.1-25.6177.1-72.9-59.1000114.5I447 V448I447-H451 PolarHBondContact O-CD2 3.45Å; I447-H451 PolarHBondContact O-N 3.14Å; V448-H451 PolarHBondContact O-N 3.39Å
452R86.1Confident81.7Confident210 Ų210114.1 Ų114.179%0.79257%0.574SS**Hα-helixtrans-81.9-30.3176.6-73.1-17770.6-164-0.2113.1V448 V449 S450V448-R452 WeakPolarHBondContact O-CG 3.47Å; V448-R452 PolarHBondContact O-N 2.86Å; V448-R452 VanDerWaalsContact O-N 3.13Å; V449-R452 PolarHBondContact O-N 2.99Å; V449-R452 VanDerWaalsContact O-N 3.11Å; S450-R452 PolarHBondContact O-N 2.93Å; S450-R452 VanDerWaalsContact O-N 3.13Å
453L83.1Confident80.6Confident129 Ų129113.9 Ų113.968%0.67558%0.577SS**Hα-helixtrans-84.5-25.8177.7-68.5175.6000111.9V449 S450 R455V449-L453 HydrophobicContact CG1-CD1 3.76Å; V449-L453 HydrophobicContact CG1-CG 4.24Å; V449-L453 WeakPolarHBondContact O-CG 3.39Å; V449-L453 PolarHBondContact O-N 2.85Å; S450-L453 PolarHBondContact O-N 3.09Å; S450-L453 VanDerWaalsContact O-N 3.08Å; L453-R455 PolarHBondContact O-N 3.3Å
454D78.5Confident79.8Confident90 Ų90116.4 Ų116.448%0.48158%0.582SS.*  trans-60.9107.8174.8-70.9-19.4000110.4S450 L456S450-D454 PolarHBondContact O-N 3.35Å; D454-L456 VanDerWaalsContact C-N 3.31Å; D454-L456 PolarHBondContact O-N 3.31Å
455R69.7Low78.8Confident204 Ų204116.3 Ų116.377%0.7759%0.591SS**  trans-78.382.5174.1-67.3-174.5179.6-174.61.7109.6L453 G457 E458L453-R455 PolarHBondContact O-N 3.3Å; R455-G457 PolarHBondContact O-N 3.46Å; R455-E458 HydrophobicContact CB-CG 4.19Å; R455-E458 PolarHBondContact O-N 2.95Å; R455-E458 VanDerWaalsContact O-N 3.11Å
456L69.7Low77.9Confident111 Ų111115.5 Ų115.558%0.58159%0.587SS**THydrogen-bonded Turntrans-56-19.2-179.4-62.2169.1000114.4D454 L462D454-L456 VanDerWaalsContact C-N 3.31Å; D454-L456 PolarHBondContact O-N 3.31Å; L456-L462 HydrophobicContact CB-CD1 4.2Å; L456-L462 HydrophobicContact CD2-CD1 3.79Å; L456-L462 WeakPolarHBondContact O-CD1 3.49Å
457G69.3Low77.5Confident79 Ų79110.6 Ų110.681%0.81457%0.572SS**THydrogen-bonded Turntrans-77.1-1817900000115.2R455R455-G457 PolarHBondContact O-N 3.46Å
458E64.1Low77.2Confident150 Ų150110 Ų11070%0.70157%0.571SS**SBendtrans-99.7-8-175.9-56.8-62.7153.300112.7R455 S460R455-E458 HydrophobicContact CB-CG 4.19Å; R455-E458 PolarHBondContact O-N 2.95Å; R455-E458 VanDerWaalsContact O-N 3.11Å; E458-S460 PolarHBondContact O-N 3.35Å
459D66.9Low76.9Confident66 Ų66115.1 Ų115.135%0.35358%0.582SS.*  trans-85.9103.5-171.4-147.1-14.3000109.7R461 L462D459-R461 PolarHBondContact O-N 3.03Å; D459-R461 IonicContact OD1-NE 3.56Å; D459-R461 IonicContact OD1-NH2 3.65Å; D459-R461 IonicContact OD2-NH2 3.74Å; D459-L462 HydrophobicContact CB-CD1 3.73Å; D459-L462 HydrophobicContact CB-CG 3.97Å; D459-L462 PolarHBondContact O-N 3.47Å
460S68.7Low76.8Confident125 Ų125117.2 Ų117.287%0.87459%0.587SS**THydrogen-bonded Turntrans-55.7-14.6-175.4-179.40000114.8E458E458-S460 PolarHBondContact O-N 3.35Å
461R73.1Confident77Confident208 Ų208119.9 Ų119.979%0.78559%0.594SS**THydrogen-bonded Turntrans-87-11179.1-62.8175.9-65.1169.73.5113D459D459-R461 PolarHBondContact O-N 3.03Å; D459-R461 IonicContact OD1-NE 3.56Å; D459-R461 IonicContact OD1-NH2 3.65Å; D459-R461 IonicContact OD2-NH2 3.74Å
462L66.4Low77.3Confident60 Ų60119.2 Ų119.231%0.31459%0.594SS.*  trans-96.5126.5-177.6-58.2178000109.8L7 L456 D459L7-L462 HydrophobicContact CB-CD2 4.41Å; L7-L462 HydrophobicContact CD1-CB 4.48Å; L7-L462 HydrophobicContact CD1-CD2 4.05Å; L456-L462 HydrophobicContact CB-CD1 4.2Å; L456-L462 HydrophobicContact CD2-CD1 3.79Å; L456-L462 WeakPolarHBondContact O-CD1 3.49Å; D459-L462 HydrophobicContact CB-CD1 3.73Å; D459-L462 HydrophobicContact CB-CG 3.97Å; D459-L462 PolarHBondContact O-N 3.47Å
463V71.8Confident77.6Confident109 Ų109112 Ų11266%0.66157%0.567SS**  trans-103131172.4177.90000108.2T465V463-T465 PolarHBondContact O-N 2.89Å; V463-T465 VanDerWaalsContact O-N 3.15Å
464Q78.9Confident78Confident113 Ų113111.9 Ų111.953%0.52856%0.561SS.*  trans-66.1112.9174.1-175.7168.1400109.7D466 H467Q464-D466 WeakPolarHBondContact CG-O 3.43Å; Q464-D466 PolarHBondContact NE2-O 3.4Å; Q464-H467 VanDerWaalsContact CD-CE1 3.43Å; Q464-H467 PolarHBondContact NE2-ND1 3.3Å
465T73.2Confident78.8Confident106 Ų106112.6 Ų112.665%0.6556%0.564SS**  trans-89.3-27.2-179.4500000113.2L7 V463L7-T465 HydrophobicContact CD2-CG2 4.02Å; V463-T465 PolarHBondContact O-N 2.89Å; V463-T465 VanDerWaalsContact O-N 3.15Å
466D76Confident80Confident82 Ų82105.8 Ų105.844%0.43954%0.541SS..  trans-140.4144.7-178.3-1660.8000111.3Q464 T468Q464-D466 WeakPolarHBondContact CG-O 3.43Å; Q464-D466 PolarHBondContact NE2-O 3.4Å; D466-T468 PolarHBondContact OD1-N 3.48Å; D466-T468 PolarHBondContact OD2-OG1 2.87Å
467H83.9Confident81.2Confident85 Ų85106.1 Ų106.139%0.39454%0.538SS..  trans-105.328179.1-65.5-80.9000111.3Q464 R469 E470 Q471Q464-H467 VanDerWaalsContact CD-CE1 3.43Å; Q464-H467 PolarHBondContact NE2-ND1 3.3Å; H467-R469 PolarHBondContact O-N 2.72Å; H467-E470 HydrophobicContact CB-CB 4.44Å; H467-E470 WeakPolarHBondContact CB-OE2 3.49Å; H467-E470 IonicContact CE1-OE2 3.52Å; H467-E470 IonicContact CG-OE2 3.94Å; H467-E470 IonicContact ND1-OE1 2.78Å; H467-E470 IonicContact ND1-OE2 3.86Å; H467-E470 PolarHBondContact ND1-OE2 3.21Å; H467-E470 PolarHBondContact O-N 3.3Å; H467-Q471 WeakPolarHBondContact O-CG 3.49Å; H467-Q471 PolarHBondContact O-N 3.39Å
468T87Confident82.4Confident53 Ų53105.5 Ų105.533%0.32552%0.516SS..Hα-helixtrans-52-36.3-173.6-22.40000113.4D466 L472D466-T468 PolarHBondContact OD1-N 3.48Å; D466-T468 PolarHBondContact OD2-OG1 2.87Å; T468-L472 VanDerWaalsContact O-CB 3.31Å; T468-L472 WeakPolarHBondContact O-CB 3.43Å; T468-L472 PolarHBondContact O-N 2.81Å
469R85.2Confident83.8Confident192 Ų192103.7 Ų103.773%0.72551%0.511SS*.Hα-helixtrans-66.3-44.3178.4-68.9-179.871.5-178.30.9111.5H467 R473H467-R469 PolarHBondContact O-N 2.72Å; R469-R473 VanDerWaalsContact O-CG 3.23Å; R469-R473 WeakPolarHBondContact O-CG 3.4Å; R469-R473 PolarHBondContact O-N 3.19Å
470E87.6Confident85.1Confident105 Ų105102.8 Ų102.849%0.49151%0.505SS..Hα-helixtrans-69.7-40.1177.3-71.3142.6-148.400111.1H467 R473 F474H467-E470 HydrophobicContact CB-CB 4.44Å; H467-E470 WeakPolarHBondContact CB-OE2 3.49Å; H467-E470 IonicContact CE1-OE2 3.52Å; H467-E470 IonicContact CG-OE2 3.94Å; H467-E470 IonicContact ND1-OE1 2.78Å; H467-E470 IonicContact ND1-OE2 3.86Å; H467-E470 PolarHBondContact ND1-OE2 3.21Å; H467-E470 PolarHBondContact O-N 3.3Å; E470-R473 CarbonylContact O-C 3.56Å; E470-R473 WeakPolarHBondContact O-CB 3.33Å; E470-R473 PolarHBondContact O-N 3.49Å; E470-F474 WeakPolarHBondContact O-CB 3.37Å; E470-F474 PolarHBondContact O-N 2.94Å
471Q91.4Very high86.3Confident109 Ų109101.8 Ų101.851%0.50949%0.486SS..Hα-helixtrans-60.6-44173.9-68.9171.6-12.800111.7H467 R473 F474 L475H467-Q471 WeakPolarHBondContact O-CG 3.49Å; H467-Q471 PolarHBondContact O-N 3.39Å; Q471-R473 VanDerWaalsContact C-N 3.32Å; Q471-R473 PolarHBondContact O-N 2.78Å; Q471-F474 WeakPolarHBondContact O-CB 3.41Å; Q471-F474 PolarHBondContact O-N 3.09Å; Q471-L475 PolarHBondContact O-N 2.88Å
472L93Very high87.3Confident117 Ų11795 Ų9561%0.61347%0.465SS*.Hα-helixtrans-64.2-38.7174.9-177.163.6000111.5T468 F474 L475 Q476T468-L472 VanDerWaalsContact O-CB 3.31Å; T468-L472 WeakPolarHBondContact O-CB 3.43Å; T468-L472 PolarHBondContact O-N 2.81Å; L472-F474 VanDerWaalsContact C-N 3.31Å; L472-L475 PolarHBondContact O-N 3.41Å; L472-Q476 WeakPolarHBondContact O-CB 3.31Å; L472-Q476 PolarHBondContact O-N 3.12Å
473R91.4Very high88.6Confident60 Ų6097 Ų9723%0.22647%0.468CS..Hα-helixtrans-65.4-34.8173.8-71.9-61.6-171.9-176.83.6112.4R469 E470 Q471 K477 G597R469-R473 VanDerWaalsContact O-CG 3.23Å; R469-R473 WeakPolarHBondContact O-CG 3.4Å; R469-R473 PolarHBondContact O-N 3.19Å; E470-R473 CarbonylContact O-C 3.56Å; E470-R473 WeakPolarHBondContact O-CB 3.33Å; E470-R473 PolarHBondContact O-N 3.49Å; Q471-R473 VanDerWaalsContact C-N 3.32Å; Q471-R473 PolarHBondContact O-N 2.78Å; R473-K477 WeakPolarHBondContact O-CG 3.37Å; R473-K477 PolarHBondContact O-N 2.93Å; R473-G597 PolarHBondContact NH1-O 3.27Å; R473-G597 PolarHBondContact NH2-O 2.82Å
474F92.9Very high89.4Confident126 Ų12695.7 Ų95.755%0.55346%0.456SS*.Hα-helixtrans-68.6-45.5173.8175.3-103.1000111.2E470 Q471 L472 Q476 K477 L478E470-F474 WeakPolarHBondContact O-CB 3.37Å; E470-F474 PolarHBondContact O-N 2.94Å; Q471-F474 WeakPolarHBondContact O-CB 3.41Å; Q471-F474 PolarHBondContact O-N 3.09Å; L472-F474 VanDerWaalsContact C-N 3.31Å; F474-Q476 VanDerWaalsContact C-N 3.29Å; F474-Q476 PolarHBondContact O-N 3.43Å; F474-K477 WeakPolarHBondContact O-CA 3.3Å; F474-K477 WeakPolarHBondContact O-CB 3.49Å; F474-K477 PolarHBondContact O-N 2.98Å; F474-L478 HydrophobicContact CD1-CD1 4.06Å; F474-L478 HydrophobicContact CD1-CG 4.41Å; F474-L478 HydrophobicContact CE1-CD1 3.4Å; F474-L478 HydrophobicContact CE1-CG 3.93Å; F474-L478 HydrophobicContact CE2-CD2 4.47Å; F474-L478 HydrophobicContact CE2-CG 4.38Å; F474-L478 HydrophobicContact CZ-CD1 3.75Å; F474-L478 HydrophobicContact CZ-CD2 4.05Å; F474-L478 HydrophobicContact CZ-CG 3.91Å; F474-L478 PolarHBondContact O-N 3.17Å
475L94.5Very high90.1Very high105 Ų10595.5 Ų95.555%0.5545%0.451SS..Hα-helixtrans-59.9-40.7176.5-17361.8000111.9Q471 L472 K477 L478 D479Q471-L475 PolarHBondContact O-N 2.88Å; L472-L475 PolarHBondContact O-N 3.41Å; L475-K477 VanDerWaalsContact C-N 3.31Å; L475-K477 PolarHBondContact O-N 3.32Å; L475-L478 PolarHBondContact O-N 2.83Å; L475-D479 PolarHBondContact O-N 2.91Å
476Q94.2Very high91Very high60 Ų6097 Ų9728%0.2845%0.45SS..Hα-helixtrans-63.3-34.5173.8-174.2174.922.100113L472 F474 E480 V599L472-Q476 WeakPolarHBondContact O-CB 3.31Å; L472-Q476 PolarHBondContact O-N 3.12Å; F474-Q476 VanDerWaalsContact C-N 3.29Å; F474-Q476 PolarHBondContact O-N 3.43Å; Q476-E480 WeakPolarHBondContact O-CB 3.48Å; Q476-E480 PolarHBondContact O-N 3Å; Q476-E480 VanDerWaalsContact O-N 3.11Å; Q476-V599 HydrophobicContact CG-CG2 3.8Å
477K94.9Very high91.6Very high119 Ų11996 Ų9652%0.51745%0.45SS..Hα-helixtrans-72.1-34.7174.4-73.8174.5-179.1-176.40112.3R473 F474 L475 H481R473-K477 WeakPolarHBondContact O-CG 3.37Å; R473-K477 PolarHBondContact O-N 2.93Å; F474-K477 WeakPolarHBondContact O-CA 3.3Å; F474-K477 WeakPolarHBondContact O-CB 3.49Å; F474-K477 PolarHBondContact O-N 2.98Å; L475-K477 VanDerWaalsContact C-N 3.31Å; L475-K477 PolarHBondContact O-N 3.32Å; K477-H481 WeakPolarHBondContact O-CB 3.26Å; K477-H481 PolarHBondContact O-N 3.02Å
478L94.8Very high91.8Very high66 Ų6697.4 Ų97.435%0.34646%0.457SS..Hα-helixtrans-65.1-45.4173.7-75-178.5000111.1F474 L475 E480 H481 D482F474-L478 HydrophobicContact CD1-CD1 4.06Å; F474-L478 HydrophobicContact CD1-CG 4.41Å; F474-L478 HydrophobicContact CE1-CD1 3.4Å; F474-L478 HydrophobicContact CE1-CG 3.93Å; F474-L478 HydrophobicContact CE2-CD2 4.47Å; F474-L478 HydrophobicContact CE2-CG 4.38Å; F474-L478 HydrophobicContact CZ-CD1 3.75Å; F474-L478 HydrophobicContact CZ-CD2 4.05Å; F474-L478 HydrophobicContact CZ-CG 3.91Å; F474-L478 PolarHBondContact O-N 3.17Å; L475-L478 PolarHBondContact O-N 2.83Å; L478-E480 VanDerWaalsContact C-N 3.32Å; L478-E480 PolarHBondContact O-N 2.98Å; L478-H481 WeakPolarHBondContact O-CB 3.5Å; L478-H481 PolarHBondContact O-N 3.44Å; L478-H481 VanDerWaalsContact O-N 3.12Å; L478-D482 PolarHBondContact O-N 3.42Å
479D94.2Very high92Very high111 Ų111100.3 Ų100.359%0.59447%0.469SS*.Hα-helixtrans-58.5-44.5175.8-174.356.1000111.7L475 H481 D482 R483L475-D479 PolarHBondContact O-N 2.91Å; D479-H481 VanDerWaalsContact C-N 3.35Å; D479-H481 PolarHBondContact O-N 3.26Å; D479-D482 PolarHBondContact O-N 3.4Å; D479-R483 WeakPolarHBondContact O-CB 3.32Å; D479-R483 PolarHBondContact O-N 2.9Å
480E94.7Very high92.2Very high48 Ų4897.3 Ų97.322%0.22446%0.464CS..Hα-helixtrans-62.8-39.5174.6-177.259.2-162.700112.5Q476 L478 R483 M484 V599Q476-E480 WeakPolarHBondContact O-CB 3.48Å; Q476-E480 PolarHBondContact O-N 3Å; Q476-E480 VanDerWaalsContact O-N 3.11Å; L478-E480 VanDerWaalsContact C-N 3.32Å; L478-E480 PolarHBondContact O-N 2.98Å; E480-R483 PolarHBondContact O-N 3.24Å; E480-R483 IonicContact OE1-CZ 3.63Å; E480-R483 IonicContact OE1-NE 2.94Å; E480-R483 IonicContact OE1-NH2 3.48Å; E480-R483 PolarHBondContact OE1-NH2 3.4Å; E480-R483 IonicContact OE2-CZ 3.59Å; E480-R483 IonicContact OE2-NE 3.6Å; E480-R483 PolarHBondContact OE2-NE 3.02Å; E480-R483 IonicContact OE2-NH2 3.51Å; E480-R483 PolarHBondContact OE2-NH2 3.34Å; E480-M484 WeakPolarHBondContact O-CB 3.4Å; E480-M484 VanDerWaalsContact O-CG 3.3Å; E480-M484 WeakPolarHBondContact O-CG 3.26Å; E480-M484 PolarHBondContact O-N 2.96Å; E480-V599 HydrophobicContact CB-CG1 4.16Å; E480-V599 HydrophobicContact CG-CG1 3.88Å
481H93.4Very high92.2Very high103 Ų10395.6 Ų95.648%0.47746%0.455SS..Hα-helixtrans-66.9-41.4175.9179.1-161.3000111.8K477 L478 D479 M484 R485K477-H481 WeakPolarHBondContact O-CB 3.26Å; K477-H481 PolarHBondContact O-N 3.02Å; L478-H481 WeakPolarHBondContact O-CB 3.5Å; L478-H481 PolarHBondContact O-N 3.44Å; L478-H481 VanDerWaalsContact O-N 3.12Å; D479-H481 VanDerWaalsContact C-N 3.35Å; D479-H481 PolarHBondContact O-N 3.26Å; H481-M484 PolarHBondContact O-N 3.33Å; H481-R485 PolarHBondContact CE1-NH2 3.3Å; H481-R485 PolarHBondContact O-N 2.9Å
482D94.1Very high92Very high66 Ų6694.9 Ų94.935%0.35345%0.454SS..Hα-helixtrans-67.1-37.7176.7-75.2-28.3000111.4L478 D479 R485 Q486L478-D482 PolarHBondContact O-N 3.42Å; D479-D482 PolarHBondContact O-N 3.4Å; D482-R485 PolarHBondContact O-N 3.31Å; D482-R485 IonicContact OD1-CZ 3.42Å; D482-R485 IonicContact OD1-NH1 3.46Å; D482-R485 PolarHBondContact OD1-NH1 2.95Å; D482-R485 IonicContact OD1-NH2 2.82Å; D482-Q486 WeakPolarHBondContact O-CG 3.49Å; D482-Q486 PolarHBondContact O-N 2.96Å
483R92.4Very high91.7Very high102 Ų10294.5 Ų94.539%0.38545%0.452SS..Hα-helixtrans-60.3-45.1171.2-171.9-175.178.281.94111.9D479 E480 Q486 S487D479-R483 WeakPolarHBondContact O-CB 3.32Å; D479-R483 PolarHBondContact O-N 2.9Å; E480-R483 PolarHBondContact O-N 3.24Å; E480-R483 IonicContact OE1-CZ 3.63Å; E480-R483 IonicContact OE1-NE 2.94Å; E480-R483 IonicContact OE1-NH2 3.48Å; E480-R483 PolarHBondContact OE1-NH2 3.4Å; E480-R483 IonicContact OE2-CZ 3.59Å; E480-R483 IonicContact OE2-NE 3.6Å; E480-R483 PolarHBondContact OE2-NE 3.02Å; E480-R483 IonicContact OE2-NH2 3.51Å; E480-R483 PolarHBondContact OE2-NH2 3.34Å; R483-Q486 PolarHBondContact O-N 2.6Å; R483-S487 PolarHBondContact O-N 3.11Å
484M90.3Very high91.4Very high81 Ų8192.4 Ų92.440%0.39945%0.445SS..Hα-helixtrans-62.2-44.5175.6-76-62.8-59.700111.5E480 H481 Q486 S487 E488E480-M484 WeakPolarHBondContact O-CB 3.4Å; E480-M484 VanDerWaalsContact O-CG 3.3Å; E480-M484 WeakPolarHBondContact O-CG 3.26Å; E480-M484 PolarHBondContact O-N 2.96Å; H481-M484 PolarHBondContact O-N 3.33Å; M484-Q486 VanDerWaalsContact C-N 3.33Å; M484-Q486 PolarHBondContact O-N 3.42Å; M484-S487 WeakPolarHBondContact O-CB 3.41Å; M484-S487 PolarHBondContact O-N 3.38Å; M484-E488 WeakPolarHBondContact O-CG 3.44Å; M484-E488 PolarHBondContact O-N 2.83Å
485R93.1Very high90.9Very high110 Ų11088.8 Ų88.842%0.41543%0.432SS..Hα-helixtrans-59.9-41.3175.8-171-171.4-62.6134.111111.9H481 D482 E488 L489H481-R485 PolarHBondContact CE1-NH2 3.3Å; H481-R485 PolarHBondContact O-N 2.9Å; D482-R485 PolarHBondContact O-N 3.31Å; D482-R485 IonicContact OD1-CZ 3.42Å; D482-R485 IonicContact OD1-NH1 3.46Å; D482-R485 PolarHBondContact OD1-NH1 2.95Å; D482-R485 IonicContact OD1-NH2 2.82Å; R485-E488 PolarHBondContact O-N 3.45Å; R485-L489 HydrophobicContact CG-CD1 4.41Å; R485-L489 VanDerWaalsContact O-CG 3.31Å; R485-L489 WeakPolarHBondContact O-CG 3.27Å; R485-L489 PolarHBondContact O-N 3.24Å
486Q90.9Very high90.5Very high136 Ų13690.8 Ų90.864%0.63644%0.436SS*.Hα-helixtrans-63.4-45.5176.3-73.2173.98.400111.9D482 R483 M484 E488 L489 E490D482-Q486 WeakPolarHBondContact O-CG 3.49Å; D482-Q486 PolarHBondContact O-N 2.96Å; R483-Q486 PolarHBondContact O-N 2.6Å; M484-Q486 VanDerWaalsContact C-N 3.33Å; M484-Q486 PolarHBondContact O-N 3.42Å; Q486-E488 VanDerWaalsContact C-N 3.31Å; Q486-E488 PolarHBondContact O-N 3.4Å; Q486-L489 PolarHBondContact O-N 3.02Å; Q486-E490 PolarHBondContact O-N 2.68Å
487S89.3Confident89.9Confident63 Ų6389.2 Ų89.244%0.44143%0.433SS..Hα-helixtrans-60.4-39.2175.5179.30000112.3R483 M484 K491R483-S487 PolarHBondContact O-N 3.11Å; M484-S487 WeakPolarHBondContact O-CB 3.41Å; M484-S487 PolarHBondContact O-N 3.38Å; S487-K491 WeakPolarHBondContact O-CB 3.49Å; S487-K491 PolarHBondContact O-N 3.28Å
488E89Confident89.3Confident114 Ų11484.3 Ų84.353%0.53342%0.415SS..Hα-helixtrans-67.2-40.9175.7-74.2174.6168.900112.5M484 R485 Q486 K491 D492M484-E488 WeakPolarHBondContact O-CG 3.44Å; M484-E488 PolarHBondContact O-N 2.83Å; R485-E488 PolarHBondContact O-N 3.45Å; Q486-E488 VanDerWaalsContact C-N 3.31Å; Q486-E488 PolarHBondContact O-N 3.4Å; E488-K491 WeakPolarHBondContact O-CB 3.4Å; E488-K491 PolarHBondContact O-N 2.96Å; E488-D492 PolarHBondContact O-N 3.38Å
489L90.4Very high88.5Confident113 Ų11389.2 Ų89.259%0.59243%0.434SS*.Hα-helixtrans-65.9-38.4176.3-72.3171.9000112.2R485 Q486 D492 L493R485-L489 HydrophobicContact CG-CD1 4.41Å; R485-L489 VanDerWaalsContact O-CG 3.31Å; R485-L489 WeakPolarHBondContact O-CG 3.27Å; R485-L489 PolarHBondContact O-N 3.24Å; Q486-L489 PolarHBondContact O-N 3.02Å; L489-D492 PolarHBondContact O-N 3.45Å; L489-L493 WeakPolarHBondContact O-CB 3.31Å; L489-L493 PolarHBondContact O-N 3.48Å
490E89Confident87.1Confident129 Ų12986.5 Ų86.560%0.60342%0.423SS*.Hα-helixtrans-64.7-43.5173.4-173.8175-175.700111.2Q486 D492 L493 I494Q486-E490 PolarHBondContact O-N 2.68Å; E490-D492 PolarHBondContact O-N 3.02Å; E490-L493 WeakPolarHBondContact O-CB 3.12Å; E490-L493 PolarHBondContact O-N 2.83Å; E490-I494 HydrophobicContact CG-CD1 4.21Å; E490-I494 VanDerWaalsContact O-CG1 3.32Å; E490-I494 WeakPolarHBondContact O-CG1 3.39Å; E490-I494 PolarHBondContact O-N 3.03Å
491K88.4Confident85.1Confident70 Ų7095.8 Ų95.830%0.30446%0.456SS..Hα-helixtrans-58.5-44.6173.9-163179.287.392.30112.1S487 E488 I494 L495 I519 D523S487-K491 WeakPolarHBondContact O-CB 3.49Å; S487-K491 PolarHBondContact O-N 3.28Å; E488-K491 WeakPolarHBondContact O-CB 3.4Å; E488-K491 PolarHBondContact O-N 2.96Å; K491-I494 PolarHBondContact O-N 2.83Å; K491-L495 WeakPolarHBondContact O-CG 3.41Å; K491-L495 PolarHBondContact O-N 3.26Å; K491-I519 HydrophobicContact CD-CG2 3.73Å; K491-I519 HydrophobicContact CG-CD1 4.15Å; K491-I519 HydrophobicContact CG-CG2 3.59Å; K491-D523 IonicContact NZ-OD2 2.68Å; K491-D523 PolarHBondContact NZ-OD2 2.77Å
492D87.7Confident83.6Confident94 Ų9493.9 Ų93.950%0.50345%0.454SS..Hα-helixtrans-67.4-38.3176.9-171.856.2000112E488 L489 E490 I494 L495 K496E488-D492 PolarHBondContact O-N 3.38Å; L489-D492 PolarHBondContact O-N 3.45Å; E490-D492 PolarHBondContact O-N 3.02Å; D492-I494 VanDerWaalsContact C-N 3.34Å; D492-I494 PolarHBondContact O-N 3.3Å; D492-L495 PolarHBondContact O-N 2.89Å; D492-K496 WeakPolarHBondContact O-CB 3.5Å; D492-K496 PolarHBondContact O-N 3.45Å
493L86.8Confident81.8Confident109 Ų109102.4 Ų102.457%0.57148%0.482SS*.Hα-helixtrans-61.2-42.7174.2-177.664.8000111.4L489 E490 K496 A497L489-L493 WeakPolarHBondContact O-CB 3.31Å; L489-L493 PolarHBondContact O-N 3.48Å; E490-L493 WeakPolarHBondContact O-CB 3.12Å; E490-L493 PolarHBondContact O-N 2.83Å; L493-K496 PolarHBondContact O-N 2.88Å; L493-A497 VanDerWaalsContact O-CB 3.26Å; L493-A497 WeakPolarHBondContact O-CB 3.2Å; L493-A497 PolarHBondContact O-N 2.79Å
494I84Confident80.1Confident16 Ų16103.8 Ų103.88%0.08250%0.497CS..Hα-helixtrans-63-46.9176-66.2161.3000110.8E490 K491 D492 K496 A497 A498 M512 M515 A516 I519E490-I494 HydrophobicContact CG-CD1 4.21Å; E490-I494 VanDerWaalsContact O-CG1 3.32Å; E490-I494 WeakPolarHBondContact O-CG1 3.39Å; E490-I494 PolarHBondContact O-N 3.03Å; K491-I494 PolarHBondContact O-N 2.83Å; D492-I494 VanDerWaalsContact C-N 3.34Å; D492-I494 PolarHBondContact O-N 3.3Å; I494-K496 VanDerWaalsContact C-N 3.34Å; I494-K496 PolarHBondContact O-N 3.33Å; I494-A497 PolarHBondContact O-N 2.7Å; I494-A498 WeakPolarHBondContact O-CB 3.41Å; I494-A498 PolarHBondContact O-N 2.97Å; I494-M512 HydrophobicContact CB-CE 4.16Å; I494-M512 HydrophobicContact CG1-CE 3.71Å; I494-M512 HydrophobicContact CG1-SD 4.28Å; I494-M512 HydrophobicContact CG2-CE 4.45Å; I494-M515 HydrophobicContact CD1-CG 4.06Å; I494-M515 HydrophobicContact CG2-CB 4.02Å; I494-M515 HydrophobicContact CG2-CG 3.92Å; I494-A516 HydrophobicContact CG2-CB 4.03Å; I494-I519 HydrophobicContact CB-CD1 4.25Å; I494-I519 HydrophobicContact CD1-CD1 3.96Å; I494-I519 HydrophobicContact CG2-CD1 3.89Å
495L83.1Confident78.5Confident50 Ų50104.9 Ų104.926%0.26250%0.501SS..Hα-helixtrans-62.8-39.5176.7-75166.8000112.3K491 D492 A498 K499 A516K491-L495 WeakPolarHBondContact O-CG 3.41Å; K491-L495 PolarHBondContact O-N 3.26Å; D492-L495 PolarHBondContact O-N 2.89Å; L495-A498 PolarHBondContact O-N 3.46Å; L495-K499 WeakPolarHBondContact O-CG 3.09Å; L495-K499 PolarHBondContact O-N 3.07Å; L495-K499 VanDerWaalsContact O-N 3.08Å; L495-A516 HydrophobicContact CD2-CB 4.26Å
496K86Confident77.3Confident146 Ų146104.7 Ų104.764%0.63551%0.508SS*.Hα-helixtrans-69.7-40.4177.8-171.8171.7-176.7172.90111.9D492 L493 I494 K499 S500D492-K496 WeakPolarHBondContact O-CB 3.5Å; D492-K496 PolarHBondContact O-N 3.45Å; L493-K496 PolarHBondContact O-N 2.88Å; I494-K496 VanDerWaalsContact C-N 3.34Å; I494-K496 PolarHBondContact O-N 3.33Å; K496-K499 PolarHBondContact O-N 2.92Å; K496-S500 PolarHBondContact O-N 3.21Å
497A81.9Confident76.5Confident27 Ų27102.1 Ų102.122%0.22350%0.503CS..Hα-helixtrans-63.3-41.9173.700000111.4L493 I494 K499 S500 M512L493-A497 VanDerWaalsContact O-CB 3.26Å; L493-A497 WeakPolarHBondContact O-CB 3.2Å; L493-A497 PolarHBondContact O-N 2.79Å; I494-A497 PolarHBondContact O-N 2.7Å; A497-K499 VanDerWaalsContact C-N 3.32Å; A497-K499 PolarHBondContact O-N 2.86Å; A497-S500 WeakPolarHBondContact O-CB 3.39Å; A497-S500 PolarHBondContact O-N 3.41Å; A497-S500 VanDerWaalsContact O-N 3.11Å; A497-S500 PolarHBondContact O-OG 2.96Å; A497-M512 HydrophobicContact CB-CB 4.41Å; A497-M512 HydrophobicContact CB-CE 3.75Å
498A80.8Confident75.7Confident17 Ų17104.9 Ų104.914%0.1451%0.509CS..Hα-helixtrans-68.1-28.3176.800000113.9I494 L495 S500 R513 A516I494-A498 WeakPolarHBondContact O-CB 3.41Å; I494-A498 PolarHBondContact O-N 2.97Å; L495-A498 PolarHBondContact O-N 3.46Å; A498-S500 VanDerWaalsContact C-N 3.27Å; A498-R513 HydrophobicContact CB-CB 4.39Å; A498-A516 HydrophobicContact CB-CB 3.33Å
499K78.8Confident74.9Confident169 Ų169101.2 Ų101.274%0.73549%0.492SS*.Hα-helixtrans-73.9-16172.4-77.1176.8177.71780113.1L495 K496 A497 R501L495-K499 WeakPolarHBondContact O-CG 3.09Å; L495-K499 PolarHBondContact O-N 3.07Å; L495-K499 VanDerWaalsContact O-N 3.08Å; K496-K499 PolarHBondContact O-N 2.92Å; A497-K499 VanDerWaalsContact C-N 3.32Å; A497-K499 PolarHBondContact O-N 2.86Å; K499-R501 PolarHBondContact O-N 3.24Å
500S64.5Low74.3Confident54 Ų54100.2 Ų100.238%0.37849%0.485SS..  trans-68115.8175.472.20000109.9K496 A497 A498 S502 Q509K496-S500 PolarHBondContact O-N 3.21Å; A497-S500 WeakPolarHBondContact O-CB 3.39Å; A497-S500 PolarHBondContact O-N 3.41Å; A497-S500 VanDerWaalsContact O-N 3.11Å; A497-S500 PolarHBondContact O-OG 2.96Å; A498-S500 VanDerWaalsContact C-N 3.27Å; S500-S502 PolarHBondContact O-N 2.92Å; S500-Q509 PolarHBondContact OG-NE2 2.6Å
501R54.2Low74Confident242 Ų242100 Ų10091%0.91348%0.484SS*.  trans-88.387.1176.4-71.8178.7168-167.5-3.9108.6K499K499-R501 PolarHBondContact O-N 3.24Å
502S61.3Low73.4Confident63 Ų6398.6 Ų98.644%0.44148%0.479SS..  trans-104.4134.5157.6410000109.2S500 N504 Q509S500-S502 PolarHBondContact O-N 2.92Å; S502-N504 PolarHBondContact O-N 3.47Å; S502-Q509 VanDerWaalsContact OG-CD 3.23Å; S502-Q509 PolarHBondContact OG-NE2 3.45Å; S502-Q509 PolarHBondContact OG-OE1 2.88Å
503R55Low73Confident246 Ų24699 Ų9993%0.92847%0.474SS*.SBendtrans-75.5-4.3-173.7-159.4172.9103.1175.57.2113.1
504N57.9Low72.9Confident130 Ų13097.5 Ų97.570%0.69546%0.464SS*.SBendtrans-109.3107.6-179.8-65.621.8000107.6S502 D506S502-N504 PolarHBondContact O-N 3.47Å; N504-D506 PolarHBondContact O-N 3.26Å
505E56.3Low72.9Confident105 Ų105101 Ų10149%0.49148%0.481SS..  trans-6993.3177.6-78.1-97.5141.200109.9M510 R513E505-M510 WeakPolarHBondContact OE2-CB 3.31Å; E505-R513 IonicContact OE1-NH1 3.66Å; E505-R513 PolarHBondContact OE1-NH1 3.38Å
506D68.6Low72.9Confident106 Ų10699 Ų9957%0.56747%0.471SS*.  trans-75.4135.4166.2-14616.1000107.6N504 H508 Q509 M510N504-D506 PolarHBondContact O-N 3.26Å; D506-H508 PolarHBondContact O-N 3.42Å; D506-Q509 HydrophobicContact CB-CB 4.33Å; D506-Q509 WeakPolarHBondContact O-CA 3.36Å; D506-Q509 WeakPolarHBondContact O-CB 3.44Å; D506-Q509 PolarHBondContact O-N 3.29Å; D506-M510 PolarHBondContact O-N 2.99Å; D506-M510 VanDerWaalsContact O-N 3.1Å
507P73.4Confident73Confident81 Ų8199.3 Ų99.353%0.52647%0.469SS..Hα-helixtrans-56.6-31.8-173.720.1-33000113.1M510 Q511P507-M510 PolarHBondContact O-N 3.48Å; P507-Q511 WeakPolarHBondContact O-CG 3.47Å; P507-Q511 PolarHBondContact O-N 2.95Å; P507-Q511 VanDerWaalsContact O-N 3.08Å
508H73.5Confident73.3Confident122 Ų122103.7 Ų103.757%0.56548%0.479SS*.Hα-helixtrans-67.3-35174.4-168.6-94.9000112.3D506 Q511 M512D506-H508 PolarHBondContact O-N 3.42Å; H508-Q511 PolarHBondContact O-N 2.87Å; H508-M512 WeakPolarHBondContact O-CG 3.35Å; H508-M512 PolarHBondContact O-N 3.3Å
509Q72.4Confident73.5Confident37 Ų37103.6 Ų103.617%0.17348%0.476CS..Hα-helixtrans-74-34.9177.6-162.7172.739.400112S500 S502 D506 M512 R513S500-Q509 PolarHBondContact OG-NE2 2.6Å; S502-Q509 VanDerWaalsContact OG-CD 3.23Å; S502-Q509 PolarHBondContact OG-NE2 3.45Å; S502-Q509 PolarHBondContact OG-OE1 2.88Å; D506-Q509 HydrophobicContact CB-CB 4.33Å; D506-Q509 WeakPolarHBondContact O-CA 3.36Å; D506-Q509 WeakPolarHBondContact O-CB 3.44Å; D506-Q509 PolarHBondContact O-N 3.29Å; Q509-M512 PolarHBondContact O-N 3.27Å; Q509-R513 WeakPolarHBondContact O-CB 3.42Å; Q509-R513 PolarHBondContact O-N 3.45Å
510M77.1Confident73.8Confident91 Ų9198 Ų9845%0.44846%0.461SS..Hα-helixtrans-61.5-46170.7-179.7170.937.600111.2E505 D506 P507 M512 R513 E514E505-M510 WeakPolarHBondContact OE2-CB 3.31Å; D506-M510 PolarHBondContact O-N 2.99Å; D506-M510 VanDerWaalsContact O-N 3.1Å; P507-M510 PolarHBondContact O-N 3.48Å; M510-M512 VanDerWaalsContact C-N 3.35Å; M510-M512 PolarHBondContact O-N 2.88Å; M510-R513 PolarHBondContact O-N 3.34Å; M510-E514 WeakPolarHBondContact O-CB 3.44Å; M510-E514 PolarHBondContact O-N 3.27Å
511Q81.3Confident75Confident126 Ų12698.7 Ų98.759%0.58947%0.466SS*.Hα-helixtrans-59.2-43.7173.8-75.1-177.52.200111.9P507 H508 R513 E514 M515P507-Q511 WeakPolarHBondContact O-CG 3.47Å; P507-Q511 PolarHBondContact O-N 2.95Å; P507-Q511 VanDerWaalsContact O-N 3.08Å; H508-Q511 PolarHBondContact O-N 2.87Å; Q511-R513 PolarHBondContact O-N 3.21Å; Q511-E514 PolarHBondContact O-N 2.99Å; Q511-M515 VanDerWaalsContact O-CB 3.31Å; Q511-M515 WeakPolarHBondContact O-CB 3.28Å; Q511-M515 PolarHBondContact O-N 2.75Å
512M76.5Confident76.7Confident39 Ų3991.3 Ų91.319%0.19244%0.442CS..Hα-helixtrans-65.5-37.5177.9-67.5-66.5-80.200112.4I494 A497 H508 Q509 M510 A516I494-M512 HydrophobicContact CB-CE 4.16Å; I494-M512 HydrophobicContact CG1-CE 3.71Å; I494-M512 HydrophobicContact CG1-SD 4.28Å; I494-M512 HydrophobicContact CG2-CE 4.45Å; A497-M512 HydrophobicContact CB-CB 4.41Å; A497-M512 HydrophobicContact CB-CE 3.75Å; H508-M512 WeakPolarHBondContact O-CG 3.35Å; H508-M512 PolarHBondContact O-N 3.3Å; Q509-M512 PolarHBondContact O-N 3.27Å; M510-M512 VanDerWaalsContact C-N 3.35Å; M510-M512 PolarHBondContact O-N 2.88Å; M512-A516 VanDerWaalsContact O-CB 3.26Å; M512-A516 WeakPolarHBondContact O-CB 3.31Å; M512-A516 PolarHBondContact O-N 2.83Å
513R80Confident77.9Confident104 Ų10490.6 Ų90.639%0.39243%0.433SS..Hα-helixtrans-70.8-35.7174.5-178.8-179.1-98.4167.7-7.7112.3A498 E505 Q509 M510 Q511 R517A498-R513 HydrophobicContact CB-CB 4.39Å; E505-R513 IonicContact OE1-NH1 3.66Å; E505-R513 PolarHBondContact OE1-NH1 3.38Å; Q509-R513 WeakPolarHBondContact O-CB 3.42Å; Q509-R513 PolarHBondContact O-N 3.45Å; M510-R513 PolarHBondContact O-N 3.34Å; Q511-R513 PolarHBondContact O-N 3.21Å; R513-R517 WeakPolarHBondContact O-CG 3.44Å; R513-R517 PolarHBondContact O-N 3.44Å
514E84.5Confident79.5Confident77 Ų7786.9 Ų86.936%0.3642%0.421SS..Hα-helixtrans-66.6-46.2171.4-170-173.4156.700111.1M510 Q511 A516 R517 R518M510-E514 WeakPolarHBondContact O-CB 3.44Å; M510-E514 PolarHBondContact O-N 3.27Å; Q511-E514 PolarHBondContact O-N 2.99Å; E514-A516 VanDerWaalsContact C-N 3.33Å; E514-A516 PolarHBondContact O-N 2.85Å; E514-R517 WeakPolarHBondContact O-CB 3.39Å; E514-R517 PolarHBondContact O-N 2.95Å; E514-R517 VanDerWaalsContact O-N 3.11Å; E514-R518 PolarHBondContact O-N 3.47Å; E514-R518 IonicContact OE1-CZ 2.79Å; E514-R518 IonicContact OE1-NE 2.73Å; E514-R518 PolarHBondContact OE1-NE 3.41Å; E514-R518 IonicContact OE1-NH2 3.03Å; E514-R518 PolarHBondContact OE1-NH2 3.28Å
515M83.5Confident81.1Confident90 Ų9086.9 Ų86.944%0.44342%0.416SS..Hα-helixtrans-60.9-42176.9-172.561.6-177.700111.3I494 Q511 R517 R518 I519I494-M515 HydrophobicContact CD1-CG 4.06Å; I494-M515 HydrophobicContact CG2-CB 4.02Å; I494-M515 HydrophobicContact CG2-CG 3.92Å; Q511-M515 VanDerWaalsContact O-CB 3.31Å; Q511-M515 WeakPolarHBondContact O-CB 3.28Å; Q511-M515 PolarHBondContact O-N 2.75Å; M515-R517 PolarHBondContact O-N 3.32Å; M515-R518 PolarHBondContact O-N 2.93Å; M515-I519 HydrophobicContact CE-CD1 4.05Å; M515-I519 HydrophobicContact CE-CG1 4.2Å; M515-I519 HydrophobicContact CG-CD1 3.99Å; M515-I519 WeakPolarHBondContact O-CB 3.19Å; M515-I519 VanDerWaalsContact O-CG1 3.29Å; M515-I519 WeakPolarHBondContact O-CG1 3.41Å; M515-I519 PolarHBondContact O-N 3.26Å
516A84.4Confident82.7Confident8 Ų887.3 Ų87.37%0.06641%0.414CS..Hα-helixtrans-62.5-39.8173.400000112.7I494 L495 A498 M512 E514 A520I494-A516 HydrophobicContact CG2-CB 4.03Å; L495-A516 HydrophobicContact CD2-CB 4.26Å; A498-A516 HydrophobicContact CB-CB 3.33Å; M512-A516 VanDerWaalsContact O-CB 3.26Å; M512-A516 WeakPolarHBondContact O-CB 3.31Å; M512-A516 PolarHBondContact O-N 2.83Å; E514-A516 VanDerWaalsContact C-N 3.33Å; E514-A516 PolarHBondContact O-N 2.85Å; A516-A520 WeakPolarHBondContact O-CB 3.21Å; A516-A520 PolarHBondContact O-N 3.35Å
517R86.4Confident83.6Confident152 Ų15286.8 Ų86.857%0.57441%0.407SS*.Hα-helixtrans-63.5-44.1173.6-81.2-175.5-73.5150.2-4.4111.3R513 E514 M515 A520 S521R513-R517 WeakPolarHBondContact O-CG 3.44Å; R513-R517 PolarHBondContact O-N 3.44Å; E514-R517 WeakPolarHBondContact O-CB 3.39Å; E514-R517 PolarHBondContact O-N 2.95Å; E514-R517 VanDerWaalsContact O-N 3.11Å; M515-R517 PolarHBondContact O-N 3.32Å; R517-A520 PolarHBondContact O-N 3.29Å; R517-S521 WeakPolarHBondContact O-CB 3.43Å; R517-S521 PolarHBondContact O-N 2.94Å; R517-S521 PolarHBondContact O-OG 3.24Å
518R88.3Confident84.5Confident119 Ų11989.4 Ų89.445%0.44941%0.411SS..Hα-helixtrans-61.4-48.6176.6-70.7-164.7-170.2-165.96.1112.1E514 M515 A520 S521 E522E514-R518 PolarHBondContact O-N 3.47Å; E514-R518 IonicContact OE1-CZ 2.79Å; E514-R518 IonicContact OE1-NE 2.73Å; E514-R518 PolarHBondContact OE1-NE 3.41Å; E514-R518 IonicContact OE1-NH2 3.03Å; E514-R518 PolarHBondContact OE1-NH2 3.28Å; M515-R518 PolarHBondContact O-N 2.93Å; R518-A520 VanDerWaalsContact C-N 3.29Å; R518-A520 PolarHBondContact O-N 3.37Å; R518-S521 PolarHBondContact O-N 2.86Å; R518-E522 WeakPolarHBondContact O-CB 3.45Å; R518-E522 PolarHBondContact O-N 2.95Å
519I86.1Confident85.4Confident14 Ų1490.5 Ų90.57%0.07242%0.416CS..Hα-helixtrans-56.3-44.9176.1-71163000110.5K491 I494 M515 D523K491-I519 HydrophobicContact CD-CG2 3.73Å; K491-I519 HydrophobicContact CG-CD1 4.15Å; K491-I519 HydrophobicContact CG-CG2 3.59Å; I494-I519 HydrophobicContact CB-CD1 4.25Å; I494-I519 HydrophobicContact CD1-CD1 3.96Å; I494-I519 HydrophobicContact CG2-CD1 3.89Å; M515-I519 HydrophobicContact CE-CD1 4.05Å; M515-I519 HydrophobicContact CE-CG1 4.2Å; M515-I519 HydrophobicContact CG-CD1 3.99Å; M515-I519 WeakPolarHBondContact O-CB 3.19Å; M515-I519 VanDerWaalsContact O-CG1 3.29Å; M515-I519 WeakPolarHBondContact O-CG1 3.41Å; M515-I519 PolarHBondContact O-N 3.26Å; I519-D523 WeakPolarHBondContact O-CB 3.37Å; I519-D523 VanDerWaalsContact O-CG 3.23Å; I519-D523 PolarHBondContact O-N 3.36Å
520A85.6Confident86.4Confident52 Ų5293.4 Ų93.443%0.4343%0.43SS..Hα-helixtrans-67.7-41.8-179.700000113A516 R517 R518 Y524A516-A520 WeakPolarHBondContact O-CB 3.21Å; A516-A520 PolarHBondContact O-N 3.35Å; R517-A520 PolarHBondContact O-N 3.29Å; R518-A520 VanDerWaalsContact C-N 3.29Å; R518-A520 PolarHBondContact O-N 3.37Å; A520-Y524 WeakPolarHBondContact O-CB 3.45Å; A520-Y524 PolarHBondContact O-N 2.86Å
521S89.3Confident87.2Confident68 Ų6894 Ų9448%0.47643%0.431SS..Hα-helixtrans-64.4-44175.2-69.90000111.7R517 R518 Y524 E525R517-S521 WeakPolarHBondContact O-CB 3.43Å; R517-S521 PolarHBondContact O-N 2.94Å; R517-S521 PolarHBondContact O-OG 3.24Å; R518-S521 PolarHBondContact O-N 2.86Å; S521-Y524 PolarHBondContact O-N 2.97Å; S521-E525 WeakPolarHBondContact O-CB 3.33Å; S521-E525 WeakPolarHBondContact O-CG 3.29Å; S521-E525 PolarHBondContact O-N 2.89Å
522E88.9Confident87.7Confident87 Ų8790.8 Ų90.841%0.40743%0.426SS..Hα-helixtrans-65.2-41.3177.9-164.6-163.314700111.8R518 E525 R526R518-E522 WeakPolarHBondContact O-CB 3.45Å; R518-E522 PolarHBondContact O-N 2.95Å; E522-E525 PolarHBondContact O-N 2.96Å; E522-R526 WeakPolarHBondContact O-CB 3.5Å; E522-R526 WeakPolarHBondContact O-CG 3.44Å; E522-R526 PolarHBondContact O-N 3.39Å; E522-R526 IonicContact OE1-CZ 3.56Å; E522-R526 VanDerWaalsContact OE1-CZ 3.31Å; E522-R526 IonicContact OE1-NE 3.31Å; E522-R526 PolarHBondContact OE1-NE 3.02Å; E522-R526 IonicContact OE1-NH2 2.7Å; E522-R526 PolarHBondContact OE1-NH2 2.99Å; E522-R526 IonicContact OE2-NH2 3.41Å
523D86.3Confident88.4Confident48 Ų4893.3 Ų93.326%0.25744%0.44SS..Hα-helixtrans-62.5-41.7174.8-75.5-11.3000111.3K491 I519 R526 E527K491-D523 IonicContact NZ-OD2 2.68Å; K491-D523 PolarHBondContact NZ-OD2 2.77Å; I519-D523 WeakPolarHBondContact O-CB 3.37Å; I519-D523 VanDerWaalsContact O-CG 3.23Å; I519-D523 PolarHBondContact O-N 3.36Å; D523-R526 IonicContact OD1-CZ 3.03Å; D523-R526 VanDerWaalsContact OD1-CZ 3.31Å; D523-R526 IonicContact OD1-NH1 3.31Å; D523-R526 PolarHBondContact OD1-NH1 3.11Å; D523-R526 IonicContact OD1-NH2 2.86Å; D523-R526 PolarHBondContact OD1-NH2 3Å; D523-E527 WeakPolarHBondContact O-CB 3.45Å; D523-E527 PolarHBondContact O-N 3.26Å
524Y89.6Confident89Confident169 Ų16991.9 Ų91.966%0.66344%0.44SS*.Hα-helixtrans-65.3-42.8175.8177.6-102.2000112.6A520 S521 E527 K528A520-Y524 WeakPolarHBondContact O-CB 3.45Å; A520-Y524 PolarHBondContact O-N 2.86Å; S521-Y524 PolarHBondContact O-N 2.97Å; Y524-E527 PolarHBondContact O-N 3.48Å; Y524-K528 WeakPolarHBondContact O-CB 3.34Å; Y524-K528 PolarHBondContact O-N 3.42Å
525E90.2Very high89.4Confident130 Ų13092.9 Ų92.961%0.60745%0.451SS*.Hα-helixtrans-66.2-42.1177-75.5177.5-172.200112.1S521 E522 E527 K528 Q529S521-E525 WeakPolarHBondContact O-CB 3.33Å; S521-E525 WeakPolarHBondContact O-CG 3.29Å; S521-E525 PolarHBondContact O-N 2.89Å; E522-E525 PolarHBondContact O-N 2.96Å; E525-E527 VanDerWaalsContact C-N 3.34Å; E525-E527 PolarHBondContact O-N 2.9Å; E525-K528 PolarHBondContact O-N 3.2Å; E525-Q529 WeakPolarHBondContact O-CB 3.17Å; E525-Q529 PolarHBondContact O-N 3.3Å
526R90Very high89.7Confident114 Ų11490.6 Ų90.643%0.4345%0.447SS..Hα-helixtrans-61.6-42.3175.4-82.5-164.9-103.689.6-1.6111.8E522 D523 Q529 H530E522-R526 WeakPolarHBondContact O-CB 3.5Å; E522-R526 WeakPolarHBondContact O-CG 3.44Å; E522-R526 PolarHBondContact O-N 3.39Å; E522-R526 IonicContact OE1-CZ 3.56Å; E522-R526 VanDerWaalsContact OE1-CZ 3.31Å; E522-R526 IonicContact OE1-NE 3.31Å; E522-R526 PolarHBondContact OE1-NE 3.02Å; E522-R526 IonicContact OE1-NH2 2.7Å; E522-R526 PolarHBondContact OE1-NH2 2.99Å; E522-R526 IonicContact OE2-NH2 3.41Å; D523-R526 IonicContact OD1-CZ 3.03Å; D523-R526 VanDerWaalsContact OD1-CZ 3.31Å; D523-R526 IonicContact OD1-NH1 3.31Å; D523-R526 PolarHBondContact OD1-NH1 3.11Å; D523-R526 IonicContact OD1-NH2 2.86Å; D523-R526 PolarHBondContact OD1-NH2 3Å; R526-Q529 PolarHBondContact O-N 3.33Å; R526-H530 WeakPolarHBondContact O-CB 3.25Å; R526-H530 PolarHBondContact O-N 3.45Å
527E88.3Confident89.7Confident94 Ų9495.1 Ų95.144%0.43947%0.47SS..Hα-helixtrans-66.3-43.3177.1-176.554.2-145.400111.5D523 Y524 E525 Q529 H530 Q531D523-E527 WeakPolarHBondContact O-CB 3.45Å; D523-E527 PolarHBondContact O-N 3.26Å; Y524-E527 PolarHBondContact O-N 3.48Å; E525-E527 VanDerWaalsContact C-N 3.34Å; E525-E527 PolarHBondContact O-N 2.9Å; E527-Q529 VanDerWaalsContact C-N 3.31Å; E527-Q529 PolarHBondContact O-N 3.08Å; E527-H530 WeakPolarHBondContact O-CB 3.49Å; E527-H530 PolarHBondContact O-N 3.3Å; E527-Q531 WeakPolarHBondContact O-CG 3.17Å; E527-Q531 PolarHBondContact O-N 3.33Å; E527-Q531 PolarHBondContact OE1-NE2 2.96Å
528K92.6Very high89.7Confident136 Ų13695.5 Ų95.559%0.59148%0.477SS*.Hα-helixtrans-58.9-42.6173.2-176.9-177.7176.9-175.10111.8Y524 E525 Q531 A532Y524-K528 WeakPolarHBondContact O-CB 3.34Å; Y524-K528 PolarHBondContact O-N 3.42Å; E525-K528 PolarHBondContact O-N 3.2Å; K528-Q531 PolarHBondContact O-N 3.02Å; K528-A532 WeakPolarHBondContact O-CB 3.31Å; K528-A532 PolarHBondContact O-N 3Å
529Q91.5Very high89.5Confident145 Ų14592.9 Ų92.968%0.67848%0.482SS*.Hα-helixtrans-67.3-39176.6-171.1175.416.800111.8E525 R526 E527 A532 N533E525-Q529 WeakPolarHBondContact O-CB 3.17Å; E525-Q529 PolarHBondContact O-N 3.3Å; R526-Q529 PolarHBondContact O-N 3.33Å; E527-Q529 VanDerWaalsContact C-N 3.31Å; E527-Q529 PolarHBondContact O-N 3.08Å; Q529-A532 PolarHBondContact O-N 3.48Å; Q529-N533 WeakPolarHBondContact O-CB 3.33Å; Q529-N533 PolarHBondContact O-N 2.78Å
530H94Very high89Confident99 Ų9998.7 Ų98.746%0.45851%0.511SS..Hα-helixtrans-60.8-46.3174.2-176.356.9000111.3R526 E527 N533 L534R526-H530 WeakPolarHBondContact O-CB 3.25Å; R526-H530 PolarHBondContact O-N 3.45Å; E527-H530 WeakPolarHBondContact O-CB 3.49Å; E527-H530 PolarHBondContact O-N 3.3Å; H530-N533 WeakPolarHBondContact O-CB 3.48Å; H530-N533 PolarHBondContact O-N 3.03Å; H530-L534 WeakPolarHBondContact O-CG 3.43Å; H530-L534 PolarHBondContact O-N 2.88Å
531Q94.2Very high88.2Confident103 Ų10397.6 Ų97.648%0.48151%0.505SS..Hα-helixtrans-62.8-44.6175.5-70.6175.423.800112.3E527 K528 N533 L534 T535E527-Q531 WeakPolarHBondContact O-CG 3.17Å; E527-Q531 PolarHBondContact O-N 3.33Å; E527-Q531 PolarHBondContact OE1-NE2 2.96Å; K528-Q531 PolarHBondContact O-N 3.02Å; Q531-N533 VanDerWaalsContact C-N 3.27Å; Q531-N533 PolarHBondContact O-N 3.05Å; Q531-L534 PolarHBondContact O-N 3.48Å; Q531-T535 PolarHBondContact O-N 2.7Å; Q531-T535 PolarHBondContact O-OG1 3.36Å; Q531-T535 VanDerWaalsContact O-OG1 3.14Å
532A91.8Very high87.1Confident58 Ų58100.8 Ų100.848%0.47952%0.524SS..Hα-helixtrans-58.7-39.6174.700000112K528 Q529 T535 A536K528-A532 WeakPolarHBondContact O-CB 3.31Å; K528-A532 PolarHBondContact O-N 3Å; Q529-A532 PolarHBondContact O-N 3.48Å; A532-T535 PolarHBondContact O-N 3.04Å; A532-A536 WeakPolarHBondContact O-CB 3.45Å; A532-A536 PolarHBondContact O-N 2.79Å
533N92.1Very high85.5Confident93 Ų93104.1 Ų104.150%0.49754%0.54SS..Hα-helixtrans-66.4-42.6175.5-167.4-10.7000111.7Q529 H530 Q531 A536 L537Q529-N533 WeakPolarHBondContact O-CB 3.33Å; Q529-N533 PolarHBondContact O-N 2.78Å; H530-N533 WeakPolarHBondContact O-CB 3.48Å; H530-N533 PolarHBondContact O-N 3.03Å; Q531-N533 VanDerWaalsContact C-N 3.27Å; Q531-N533 PolarHBondContact O-N 3.05Å; N533-A536 PolarHBondContact O-N 3.27Å; N533-L537 WeakPolarHBondContact O-CG 3.43Å; N533-L537 PolarHBondContact O-N 2.86Å
534L92.2Very high83.7Confident73 Ų73112.9 Ų112.938%0.38257%0.569SS.*Hα-helixtrans-60.7-46.2173.7-70.7176.9000111.9H530 Q531 A536 L537 H538H530-L534 WeakPolarHBondContact O-CG 3.43Å; H530-L534 PolarHBondContact O-N 2.88Å; Q531-L534 PolarHBondContact O-N 3.48Å; L534-A536 VanDerWaalsContact C-N 3.33Å; L534-A536 PolarHBondContact O-N 3.42Å; L534-L537 PolarHBondContact O-N 3.29Å; L534-H538 PolarHBondContact O-CD2 2.9Å; L534-H538 PolarHBondContact O-N 3.11Å
535T92.3Very high81.4Confident98 Ų98114.8 Ų114.860%0.60158%0.581SS**Hα-helixtrans-61.6-40.9175.5-55.20000111.8Q531 A532 H538 A539Q531-T535 PolarHBondContact O-N 2.7Å; Q531-T535 PolarHBondContact O-OG1 3.36Å; Q531-T535 VanDerWaalsContact O-OG1 3.14Å; A532-T535 PolarHBondContact O-N 3.04Å; T535-H538 PolarHBondContact O-N 3.28Å; T535-A539 WeakPolarHBondContact O-CB 3.48Å; T535-A539 PolarHBondContact O-N 3.4Å
536A89Confident79.6Confident42 Ų42120 Ų12035%0.34760%0.595SS.*Hα-helixtrans-63-41.1175.300000112A532 N533 L534 A539 I540A532-A536 WeakPolarHBondContact O-CB 3.45Å; A532-A536 PolarHBondContact O-N 2.79Å; N533-A536 PolarHBondContact O-N 3.27Å; L534-A536 VanDerWaalsContact C-N 3.33Å; L534-A536 PolarHBondContact O-N 3.42Å; A536-A539 PolarHBondContact O-N 3.39Å; A536-I540 WeakPolarHBondContact O-CB 3.4Å; A536-I540 VanDerWaalsContact O-CG1 3.29Å; A536-I540 WeakPolarHBondContact O-CG1 3.4Å; A536-I540 PolarHBondContact O-N 2.9Å
537L84.7Confident76.8Confident104 Ų104125.5 Ų125.555%0.54562%0.616SS.*Hα-helixtrans-64.9-39174.2-74.9171.5000112.2N533 L534 A539 G541N533-L537 WeakPolarHBondContact O-CG 3.43Å; N533-L537 PolarHBondContact O-N 2.86Å; L534-L537 PolarHBondContact O-N 3.29Å; L537-A539 VanDerWaalsContact C-N 3.3Å; L537-A539 PolarHBondContact O-N 2.87Å; L537-G541 WeakPolarHBondContact O-CA 3.5Å; L537-G541 PolarHBondContact O-N 3.36Å
538H87.1Confident74.8Confident159 Ų159129 Ų12974%0.73664%0.636SS**Hα-helixtrans-64.7-35.6174.7-77.4-135000111.5L534 T535L534-H538 PolarHBondContact O-CD2 2.9Å; L534-H538 PolarHBondContact O-N 3.11Å; T535-H538 PolarHBondContact O-N 3.28Å
539A84.3Confident72.3Confident65 Ų65129.3 Ų129.354%0.53765%0.645SS.*Hα-helixtrans-78.8-38.5178.400000114T535 A536 L537 G541T535-A539 WeakPolarHBondContact O-CB 3.48Å; T535-A539 PolarHBondContact O-N 3.4Å; A536-A539 PolarHBondContact O-N 3.39Å; L537-A539 VanDerWaalsContact C-N 3.3Å; L537-A539 PolarHBondContact O-N 2.87Å; A539-G541 PolarHBondContact O-N 3.17Å
540I74.3Confident69.6Low136 Ų136128.1 Ų128.170%0.69765%0.647SS**Hα-helixtrans-79.3-7.9175.8-63.2168.5000111.4A536A536-I540 WeakPolarHBondContact O-CB 3.4Å; A536-I540 VanDerWaalsContact O-CG1 3.29Å; A536-I540 WeakPolarHBondContact O-CG1 3.4Å; A536-I540 PolarHBondContact O-N 2.9Å
541G69.5Low67.3Low28 Ų28131 Ų13129%0.28967%0.665SS.*THydrogen-bonded Turntrans-44147.4175.500000111.9L537 A539 Q543L537-G541 WeakPolarHBondContact O-CA 3.5Å; L537-G541 PolarHBondContact O-N 3.36Å; A539-G541 PolarHBondContact O-N 3.17Å; G541-Q543 PolarHBondContact O-N 3.29Å
542P65.2Low64.7Low136 Ų136132.1 Ų132.188%0.88367%0.674SS**THydrogen-bonded Turntrans-45.193.5-157.7-28.433.5000114.7R544P542-R544 PolarHBondContact O-N 3.49Å; P542-R544 VanDerWaalsContact O-N 3.16Å
543Q56.9Low62.1Low157 Ų157137.4 Ų137.473%0.73469%0.689SS**  trans-68.8113.2175.9-72.3-80.9-28.800108G541 K545G541-Q543 PolarHBondContact O-N 3.29Å; Q543-K545 PolarHBondContact O-N 2.93Å; Q543-K545 VanDerWaalsContact O-N 3.13Å
544R48.5Very low59.7Low231 Ų231141.3 Ų141.387%0.87271%0.707SS**  trans-59.9116172.9-63178.584.61340.3107.5P542 R546P542-R544 PolarHBondContact O-N 3.49Å; P542-R544 VanDerWaalsContact O-N 3.16Å; R544-R546 PolarHBondContact O-N 3.44Å
545K41.8Very low57.2Low209 Ų209141.2 Ų141.291%0.90972%0.724SS**  trans-56.295172.8-73.3-173.2175.4-173.80110Q543Q543-K545 PolarHBondContact O-N 2.93Å; Q543-K545 VanDerWaalsContact O-N 3.13Å
546R52.3Low54.6Low239 Ų239144.4 Ų144.490%0.90274%0.737SS**  trans-87.9111154.6-91.9-170.9-95138-7107.1R544R544-R546 PolarHBondContact O-N 3.44Å
547R30.7Very low52.6Low231 Ų231147.4 Ų147.487%0.87275%0.753SS**  trans-60.1130.8161.9-64.3-168.9163.8-170.5-5.1107.6
548L46.4Very low50.5Low167 Ų167150.1 Ų150.187%0.87477%0.766SS**  trans-159.4125.2149-161.554.3000110.6
549D39.9Very low48.3Very low143 Ų143147 Ų14777%0.76576%0.763SS**  trans-72.4152.9179.6-61-69.2000112.4
550T35.4Very low46.2Very low120 Ų120149.7 Ų149.774%0.73677%0.773SS**  trans-19.4124155.2-45.30000115.4
551L44.1Very low44.5Very low158 Ų158149.6 Ų149.683%0.82777%0.773SS**  -167.3149.8129.9-100.1-155.1000112.3
552D39.2Very low43.2Very low127 Ų127154.8 Ų154.868%0.67979%0.793SS**  trans-72.5167.4-166.9-54.2-68.4000115.4
553E38.6Very low42Very low170 Ų170156 Ų15679%0.79479%0.791SS**  trans62.2119.8149.7-95.117811600121.3
554M41.1Very low41Very low174 Ų174151.8 Ų151.886%0.85779%0.79SS**  61.2111.1128-157.589.884.900118.4
555G38.9Very low40.5Very low72 Ų72145.9 Ų145.974%0.74279%0.791SS**  trans146.878.4151.700000117.3
556N39.4Very low40.3Very low164 Ų164140.9 Ų140.988%0.87778%0.782SS**  trans42.7144.6141.3-79.5-17.4000124.4
557P45.8Very low39.4Very low105 Ų105137.3 Ų137.368%0.68278%0.78SS**  trans-91.8166.5-166.639.7-34.4000112.4
558I40.7Very low39.9Very low161 Ų161132.3 Ų132.383%0.82678%0.78SS**  trans178.9115.8141.9-92.7150.8000111.8
559S40.3Very low39.3Very low95 Ų95130.6 Ų130.666%0.66478%0.777SS**  trans74.9144.8133.6-58.10000125.6
560T40.6Very low39.4Very low121 Ų121135.7 Ų135.774%0.74279%0.785SS**  trans79.1133.4141.124.40000117.3
561D39.4Very low39.4Very low134 Ų134137.6 Ų137.672%0.71779%0.791SS**  cis178.4171.6-17.4-116.6-32.1000105.7
562I42.7Very low39.3Very low136 Ų136133.9 Ų133.970%0.69779%0.791SS**  trans97.2100.9148.6-74.1147.9000120.6
563L39.8Very low39.2Very low162 Ų162134.4 Ų134.485%0.84880%0.799SS**  64.2137.2127.9-47.2178000119.7
564G34.5Very low39.3Very low69 Ų69133.4 Ų133.471%0.71180%0.804SS**  cis120.8122.615.300000111.4
565A39.2Very low39Very low107 Ų107132.8 Ų132.888%0.88480%0.804SS**  trans71.9150.4163.600000118.3
566S37.7Very low39Very low103 Ų103138 Ų13872%0.7281%0.814SS**  cis-175.7150.1-5.947.30000109.8
567L33.2Very low38.8Very low164 Ų164136.4 Ų136.486%0.85981%0.81SS**  trans23.2132.9149.5-74.580000121.9
568S40.6Very low38.2Very low126 Ų126136.8 Ų136.888%0.88182%0.815SS**  -178.7134.8110-78.30000114
569T33.3Very low38.1Very low132 Ų132133.5 Ų133.581%0.8181%0.812SS**  trans-91144.2179.2-46.80000111.3
570R43.7Very low37.9Very low249 Ų249136.7 Ų136.794%0.9482%0.821SS**  trans-159.8130.2152.9-134.7171172.4162.8-2.9113.9
571D34.1Very low37.8Very low161 Ų161136 Ų13686%0.86182%0.819SS**  trans-70.1159.7-179.8-71.9-66.4000115.8
572G42.2Very low37.3Very low79 Ų79134.4 Ų134.481%0.81482%0.823SS**  trans-177.797.7165.500000113.6
573V37.2Very low36.9Very low139 Ų139132.9 Ų132.984%0.84283%0.825SS**  trans-85.1138.5175.3-86.50000112
574T42Very low36.6Very low148 Ų148131.4 Ų131.491%0.90882%0.823SS**  trans-168.4131.6140.241.60000112.5
575N34.4Very low36.6Very low161 Ų161132 Ų13286%0.86182%0.822SS**  trans-64.3144.7170.7-73.1-32000113.1
576L39.1Very low36.4Very low183 Ų183135.6 Ų135.696%0.95883%0.826SS**  trans-146.4134.1143.4-89.8174.7000110.7
577V33.5Very low36.2Very low130 Ų130140.7 Ų140.779%0.78883%0.829SS**  trans-104.6165.7-172.899.20000109.4
578S33.7Very low36.1Very low112 Ų112139.1 Ų139.178%0.78382%0.821SS**  trans96.4133.1171.2-36.30000113.7
579A39.4Very low35.7Very low92 Ų92138.4 Ų138.476%0.7682%0.816SS**  cis-159.8150.816.400000112
580L35.9Very low35.6Very low163 Ų163139.6 Ų139.685%0.85382%0.816SS**  trans3.5170.7149.7-89.479.9000122.7
581P38.3Very low34.9Very low107 Ų107134 Ų13470%0.69581%0.809SS**  cis-142.7166-31.236.9-17.7000116.4
582A29.7Very low34.7Very low99 Ų99131.4 Ų131.482%0.81880%0.803SS**  trans47107.8141.800000122.1
583S34.1Very low34.2Very low105 Ų105131.9 Ų131.973%0.73480%0.8SS**  trans-175.3121.7138.5162.20000111.3
584T33.1Very low34Very low131 Ų131131.3 Ų131.380%0.80480%0.802SS**  trans83130.2148.1-51.70000119.9
585A34.8Very low33.6Very low82 Ų82132.9 Ų132.968%0.67879%0.791SS**  trans84.878.3161.600000119.2R587A585-R587 PolarHBondContact O-N 3.46Å; A585-R587 VanDerWaalsContact O-N 3.13Å
586N34.1Very low33.6Very low182 Ų182131.4 Ų131.497%0.97378%0.783SS**  trans-71.999.9152.5-95.9-16.4000110
587R34.9Very low33.2Very low209 Ų209125 Ų12579%0.78976%0.76SS**  trans-70.9126.1165.3-92.1-169.4165.6-94.51.2111.2A585A585-R587 PolarHBondContact O-N 3.46Å; A585-R587 VanDerWaalsContact O-N 3.13Å
588L30.3Very low33.1Very low132 Ų132126.5 Ų126.569%0.69176%0.763SS**  trans41.287.9133.5-54.8174.6000117.5
589S31.7Very low33.1Very low111 Ų111123.5 Ų123.578%0.77674%0.74SS**  trans-92.290.5158.446.60000110.1V591S589-V591 VanDerWaalsContact C-N 3.31Å; S589-V591 PolarHBondContact O-N 2.73Å
590I30.7Very low32.7Very low156 Ų156124.8 Ų124.880%0.874%0.738SS**  trans-74.989.5165.5-56.9171.7000107
591V30.3Very low32.7Very low131 Ų131120.9 Ų120.979%0.79473%0.725SS**  trans-113.186.2166.2-176.80000106.4S589S589-V591 VanDerWaalsContact C-N 3.31Å; S589-V591 PolarHBondContact O-N 2.73Å
592S29.2Very low32.2Very low107 Ų107119 Ų11975%0.74873%0.725SS**  trans-113.8116.5169.1-1470000109.7S594S592-S594 PolarHBondContact O-N 3.4Å
593A32.5Very low32.6Very low89 Ų89120.4 Ų120.474%0.73673%0.726SS**  trans-80.7106.9-164.700000112.4R595A593-R595 PolarHBondContact O-N 3.4Å
594S31.8Very low32.5Very low127 Ų127123.2 Ų123.289%0.88873%0.733SS**  trans-88.775.6160.1-66.90000109.6S592S592-S594 PolarHBondContact O-N 3.4Å
595R33.2Very low32.5Very low182 Ų182123.2 Ų123.269%0.68773%0.727SS**  trans-120.789.4166-83.5-155.9-173-89.73.1110.1A593A593-R595 PolarHBondContact O-N 3.4Å
596L35.7Very low32.6Very low130 Ų130123.9 Ų123.968%0.68172%0.723SS**  trans-138.796147.3-64.9177.9000108.6
597G29.5Very low32.2Very low47 Ų47124 Ų12449%0.48572%0.717SS.*  trans-69.9141.1164.300000110.3R473R473-G597 PolarHBondContact NH1-O 3.27Å; R473-G597 PolarHBondContact NH2-O 2.82Å
598L32.4Very low32.1Very low162 Ų162121.9 Ų121.985%0.84872%0.721SS**  trans-117.2104.5159.4-137.386000105.8
599V32.5Very low32Very low50 Ų50120.3 Ų120.330%0.30372%0.721SS.*  trans-61.3134.8150.6-86.30000107.5Q476 E480Q476-V599 HydrophobicContact CG-CG2 3.8Å; E480-V599 HydrophobicContact CB-CG1 4.16Å; E480-V599 HydrophobicContact CG-CG1 3.88Å
600T31.9Very low32.1Very low118 Ų118121.9 Ų121.972%0.72472%0.72SS**  -179.1107128.8560000109.3
601S35.3Very low32.1Very low81 Ų81122.5 Ų122.557%0.56672%0.719SS**  trans41.8117.4134.8590000120.7
602G29.3Very low32.1Very low69 Ų69120.2 Ų120.271%0.71172%0.715SS**  trans-64.6164151.300000111.9
603P38.1Very low32.5Very low127 Ų127123.5 Ų123.583%0.82572%0.723SS**  -145.8157.993.136.4-19.9000113.6
604N31.4Very low32.7Very low165 Ų165124.9 Ų124.988%0.88272%0.724SS**  trans-152.1104.2163.3-120.3-23.1000108.6
605L33.1Very low32.8Very low131 Ų131123 Ų12369%0.68672%0.716SS**  trans-160.6110.3152.5-96.6179.6000109.1
606T35.8Very low32.7Very low95 Ų95121.8 Ų121.858%0.58372%0.723SS**  trans61.994.3133.854.20000121.9
607Q27.5Very low32.7Very low184 Ų184119.9 Ų119.986%0.8672%0.721SS**  16.9114.5116.3-167.3-173.4-9.800119.6
608L32.6Very low33Very low165 Ų165123.1 Ų123.186%0.86474%0.737SS**  trans-168.199.6147.7-79-179000106.2
609S27.4Very low33.1Very low100 Ų100119.8 Ų119.870%0.69973%0.727SS**  51.610375-146.30000115.9
610L34.1Very low33.2Very low143 Ų143124.8 Ų124.875%0.74975%0.751SS**  173.9133.1121.3-111.573.7000113.5
611E30.8Very low33.4Very low169 Ų169124.8 Ų124.879%0.7975%0.751SS**  trans36.6128.9147.5-71.6179.792.700122.2
612A30.8Very low33.4Very low84 Ų84126.2 Ų126.269%0.69476%0.76SS**  cis97.1110.542.900000114.4
613L36.9Very low33.7Very low175 Ų175127.6 Ų127.692%0.91676%0.759SS**  trans158.3134.3137-88151.4000114.2
614P36Very low33.7Very low119 Ų119128.6 Ų128.677%0.77376%0.762SS**  trans-123.8164.7175.540.4-27.8000115.1
615A33.6Very low33.8Very low87 Ų87124.3 Ų124.372%0.71976%0.757SS**  trans173.1143.5145.900000116.6
616N32.4Very low33.8Very low156 Ų156122.1 Ų122.183%0.83477%0.767SS**  trans70.7146.8148.3-67.32.1000121.6
617S34.9Very low33.9Very low91 Ų91124.9 Ų124.964%0.63678%0.783SS**  cis-179.7162.6-12.7-800000108.5
618S35.2Very low34.2Very low115 Ų115119.6 Ų119.680%0.80478%0.779SS**  trans70.6143.6155.5360000120.2
619S34.8Very low34.4Very low92 Ų92119.6 Ų119.664%0.64378%0.78SS**  cis173.7149-3.154.50000110.3
620L35.8Very low34.5Very low155 Ų155120 Ų12081%0.81278%0.782SS**  trans73143.5148.1-61.7159.6000117.8
621V35.9Very low34.5Very low118 Ų118119.6 Ų119.672%0.71579%0.786SS**  cis-172.1144.820-104.20000111.8
622S34.6Very low34.7Very low110 Ų110116.8 Ų116.877%0.76978%0.784SS**  trans33.7148136.970.80000122.2
623S36.8Very low34.9Very low99 Ų99120.3 Ų120.369%0.69279%0.792SS**  cis178.6154.933.979.50000112.3
624V37.3Very low34.9Very low147 Ų147118.1 Ų118.189%0.89179%0.786SS**  trans66.2136.4148-176.10000118.1
625G32.8Very low35.1Very low75 Ų75117 Ų11777%0.77378%0.781SS**  cis159.5151.36.900000107.8
626G34.4Very low35.3Very low86 Ų86116.6 Ų116.689%0.88779%0.785SS**  trans148.2111.9169.900000115.8
627T36.6Very low35.4Very low152 Ų152118 Ų11893%0.93378%0.784SS**  trans-82.7148.3-179.346.20000113.5
628G35Very low35.5Very low74 Ų74118 Ų11876%0.76378%0.783SS**  trans-175.4143.5168.600000113
629D36.3Very low35.7Very low165 Ų165119.9 Ų119.988%0.88278%0.784SS**  trans-70.8164.9-154.2-68.4-57.1000119.9
630S29.3Very low36.1Very low107 Ų107119.4 Ų119.475%0.74879%0.785SS**  trans-35.1131.8172.457.50000118.4
631V35.1Very low36.1Very low136 Ų136119.7 Ų119.782%0.82479%0.787SS**  trans-151.7130.1132.7178.80000109.3N633V631-N633 PolarHBondContact O-N 3.04Å
632S33.3Very low36.1Very low109 Ų109119 Ų11976%0.76279%0.787SS**  trans-40.8122.6169.446.50000114.6
633N35.1Very low36.2Very low159 Ų159121.4 Ų121.485%0.8579%0.791SS**  trans-124.6125.5165.1-131.9-4.7000110.9V631V631-N633 PolarHBondContact O-N 3.04Å
634T37.6Very low36.3Very low128 Ų128127.3 Ų127.379%0.78580%0.798SS**  trans-61.9127.1-171.652.70000111.3G636T634-G636 PolarHBondContact O-N 2.92Å; T634-G636 VanDerWaalsContact O-N 3.12Å
635S41.2Very low36.5Very low97 Ų97125.1 Ų125.168%0.67880%0.795SS**  trans-65.5112.9172.764.40000110.2F637S635-F637 PolarHBondContact O-N 2.69Å; S635-F637 VanDerWaalsContact O-N 3.14Å
636G36.8Very low36.9Very low77 Ų77130.2 Ų130.279%0.79480%0.799SS**  trans-67.9103.9169.200000109.4T634 S638T634-G636 PolarHBondContact O-N 2.92Å; T634-G636 VanDerWaalsContact O-N 3.12Å; G636-S638 PolarHBondContact O-N 3.23Å; G636-S638 VanDerWaalsContact O-N 3.1Å
637F35.7Very low37.5Very low187 Ų187137.4 Ų137.482%0.8280%0.799SS**  trans-69.7103.6167.4-83.5-87.4000108.9S635 L639S635-F637 PolarHBondContact O-N 2.69Å; S635-F637 VanDerWaalsContact O-N 3.14Å; F637-L639 PolarHBondContact O-N 2.9Å
638S36.4Very low38.7Very low89 Ų89133.1 Ų133.162%0.62278%0.779SS**  trans-64.2116.9168.4-179.60000109.7G636 A640G636-S638 PolarHBondContact O-N 3.23Å; G636-S638 VanDerWaalsContact O-N 3.1Å; S638-A640 PolarHBondContact O-N 3.31Å; S638-A640 VanDerWaalsContact O-N 3.08Å
639L38.4Very low40.3Very low155 Ų155133.3 Ų133.381%0.81277%0.766SS**G310 helixtrans-64.5-9.6-175.8-74168.5000114.2F637 L641F637-L639 PolarHBondContact O-N 2.9Å; L639-L641 VanDerWaalsContact C-N 3.33Å; L639-L641 PolarHBondContact O-N 3.01Å
640A43.3Very low41.7Very low82 Ų82132.1 Ų132.168%0.67876%0.758SS**G310 helixtrans-73.2-19.4-177.500000114.2S638S638-A640 PolarHBondContact O-N 3.31Å; S638-A640 VanDerWaalsContact O-N 3.08Å
641L36Very low43.5Very low161 Ų161136.5 Ų136.584%0.84376%0.759SS**G310 helixtrans-96.7-7.3-175.5-101.2150.7000115L639L639-L641 VanDerWaalsContact C-N 3.33Å; L639-L641 PolarHBondContact O-N 3.01Å
642S36.9Very low45.3Very low103 Ų103133.7 Ų133.772%0.7274%0.739SS**  trans-96.64.3-174.3-160.70000114.5R644S642-R644 PolarHBondContact O-N 2.89Å; S642-R644 VanDerWaalsContact O-N 3.17Å
643L36Very low47Very low161 Ų161132.5 Ų132.584%0.84372%0.723SS**  trans-78.910.6-179-82.9166.1000115.2
644R39.2Very low48.5Very low223 Ų223130 Ų13084%0.84271%0.706SS**SBendtrans-100.481.9171.5-165.1174.8-73.4-173.3-1.8110.9S642 H646S642-R644 PolarHBondContact O-N 2.89Å; S642-R644 VanDerWaalsContact O-N 3.17Å; R644-H646 VanDerWaalsContact C-N 3.29Å; R644-H646 PolarHBondContact O-N 3.3Å
645A40.1Very low50.2Low102 Ų102126.9 Ų126.984%0.84369%0.687SS**  trans30.636.715200000120.6
646H41.1Very low51.5Low182 Ų182126.7 Ų126.784%0.84368%0.677SS**  trans-84.3124.1171.4-103.5-82.5000110.9R644 A648R644-H646 VanDerWaalsContact C-N 3.29Å; R644-H646 PolarHBondContact O-N 3.3Å; H646-A648 PolarHBondContact O-N 3.4Å; H646-A648 VanDerWaalsContact O-N 3.13Å
647R48.8Very low52.9Low236 Ų236124.7 Ų124.789%0.89165%0.648SS**  trans-57.9111.8172.2-69177.3167.1176.4-3.4109.1T649R647-T649 PolarHBondContact O-N 2.9Å
648A60.6Low54.5Low63 Ų63117.9 Ų117.952%0.52162%0.624SS.*  trans-61.4132.1175.300000110.6H646 D652 I653H646-A648 PolarHBondContact O-N 3.4Å; H646-A648 VanDerWaalsContact O-N 3.13Å; A648-D652 HydrophobicContact CB-CB 4.29Å; A648-I653 HydrophobicContact CB-CG1 4.47Å
649T68.9Low56.2Low78 Ų78123.3 Ų123.348%0.47963%0.631SS.*  trans-78161.217668.70000110.5R647 R651 D652 I653R647-T649 PolarHBondContact O-N 2.9Å; T649-R651 PolarHBondContact O-N 3.09Å; T649-D652 WeakPolarHBondContact CB-OD2 3.41Å; T649-D652 PolarHBondContact N-OD2 3.18Å; T649-D652 WeakPolarHBondContact O-CB 3.46Å; T649-D652 PolarHBondContact O-N 3.41Å; T649-D652 PolarHBondContact OG1-OD2 3.28Å; T649-I653 PolarHBondContact O-N 3.27Å
650L65.4Low57.3Low139 Ų139118.6 Ų118.673%0.72861%0.608SS**Hα-helixtrans-57.1-33.9178.2-152.1170.3000111.5I653 Q654L650-I653 PolarHBondContact O-N 3.22Å; L650-Q654 WeakPolarHBondContact O-CB 3.46Å; L650-Q654 PolarHBondContact O-N 3.05Å
651R68.4Low58.2Low200 Ų200119.4 Ų119.476%0.75561%0.607SS**Hα-helixtrans-59.5-44.4172.7-85.4-89.8-167.3157.62.3111.9T649 I653 Q654 V655T649-R651 PolarHBondContact O-N 3.09Å; R651-I653 VanDerWaalsContact C-N 3.35Å; R651-I653 PolarHBondContact O-N 3.13Å; R651-Q654 PolarHBondContact O-N 3.13Å; R651-V655 WeakPolarHBondContact O-CG2 3.32Å; R651-V655 PolarHBondContact O-N 3.05Å
652D71.4Confident59.1Low76 Ų76121.8 Ų121.841%0.40661%0.605SS.*Hα-helixtrans-64.5-42.4-179.4-56.3-39.6000111.1A648 T649 Q654 V655 I656A648-D652 HydrophobicContact CB-CB 4.29Å; T649-D652 WeakPolarHBondContact CB-OD2 3.41Å; T649-D652 PolarHBondContact N-OD2 3.18Å; T649-D652 WeakPolarHBondContact O-CB 3.46Å; T649-D652 PolarHBondContact O-N 3.41Å; T649-D652 PolarHBondContact OG1-OD2 3.28Å; D652-Q654 VanDerWaalsContact C-N 3.34Å; D652-Q654 PolarHBondContact O-N 3.19Å; D652-V655 PolarHBondContact O-N 3.37Å; D652-I656 WeakPolarHBondContact O-CD1 3.39Å; D652-I656 WeakPolarHBondContact O-CG1 3.38Å; D652-I656 PolarHBondContact O-N 3.34Å
653I68.8Low60.2Low85 Ų85120 Ų12044%0.43659%0.586SS.*Hα-helixtrans-63.8-41.4175.6-60.8173.2000110.4A648 T649 L650 R651 V655 I656 L657A648-I653 HydrophobicContact CB-CG1 4.47Å; T649-I653 PolarHBondContact O-N 3.27Å; L650-I653 PolarHBondContact O-N 3.22Å; R651-I653 VanDerWaalsContact C-N 3.35Å; R651-I653 PolarHBondContact O-N 3.13Å; I653-V655 PolarHBondContact O-N 2.95Å; I653-I656 PolarHBondContact O-N 3.46Å; I653-L657 HydrophobicContact CG2-CD1 4.02Å; I653-L657 HydrophobicContact CG2-CG 4.26Å; I653-L657 WeakPolarHBondContact O-CB 3.36Å; I653-L657 VanDerWaalsContact O-CG 3.27Å; I653-L657 WeakPolarHBondContact O-CG 3.42Å; I653-L657 PolarHBondContact O-N 3.19Å
654Q67.8Low61.1Low106 Ų106119.4 Ų119.450%0.49557%0.573SS.*Hα-helixtrans-65.4-37.7178.6-172.5172.4-2300112.6L650 R651 D652 S658L650-Q654 WeakPolarHBondContact O-CB 3.46Å; L650-Q654 PolarHBondContact O-N 3.05Å; R651-Q654 PolarHBondContact O-N 3.13Å; D652-Q654 VanDerWaalsContact C-N 3.34Å; D652-Q654 PolarHBondContact O-N 3.19Å; Q654-S658 WeakPolarHBondContact O-CB 3.48Å; Q654-S658 PolarHBondContact O-N 3.39Å; Q654-S658 VanDerWaalsContact O-N 3.11Å
655V72.5Confident61.8Low62 Ų62118.2 Ų118.238%0.37657%0.569SS.*Hα-helixtrans-65.3-45174.21720000110.4R651 D652 I653 L657 S658 R659R651-V655 WeakPolarHBondContact O-CG2 3.32Å; R651-V655 PolarHBondContact O-N 3.05Å; D652-V655 PolarHBondContact O-N 3.37Å; I653-V655 PolarHBondContact O-N 2.95Å; V655-L657 PolarHBondContact O-N 2.83Å; V655-S658 PolarHBondContact O-N 3.34Å; V655-S658 VanDerWaalsContact O-N 3.14Å; V655-S658 PolarHBondContact O-OG 2.87Å; V655-R659 PolarHBondContact O-N 3.49Å
656I69.9Low62.6Low93 Ų93114.9 Ų114.948%0.47754%0.538SS..Hα-helixtrans-61-47.2177.2-66.4162.6000110.7D652 I653 S658 R659 T660D652-I656 WeakPolarHBondContact O-CD1 3.39Å; D652-I656 WeakPolarHBondContact O-CG1 3.38Å; D652-I656 PolarHBondContact O-N 3.34Å; I653-I656 PolarHBondContact O-N 3.46Å; I656-S658 PolarHBondContact O-N 2.86Å; I656-R659 PolarHBondContact O-N 2.94Å; I656-T660 PolarHBondContact O-N 3.4Å; I656-T660 PolarHBondContact O-OG1 2.96Å
657L64.5Low63.1Low35 Ų35110.8 Ų110.818%0.18352%0.515CS..Hα-helixtrans-64.7-21.5177.8-67.7178.2000113.5I653 V655 L663I653-L657 HydrophobicContact CG2-CD1 4.02Å; I653-L657 HydrophobicContact CG2-CG 4.26Å; I653-L657 WeakPolarHBondContact O-CB 3.36Å; I653-L657 VanDerWaalsContact O-CG 3.27Å; I653-L657 WeakPolarHBondContact O-CG 3.42Å; I653-L657 PolarHBondContact O-N 3.19Å; V655-L657 PolarHBondContact O-N 2.83Å; L657-L663 HydrophobicContact CD2-CB 3.73Å; L657-L663 HydrophobicContact CD2-CD2 3.54Å; L657-L663 HydrophobicContact CD2-CG 4.26Å
658S70.6Confident63.5Low45 Ų45103.8 Ų103.832%0.31550%0.499SS..Hα-helixtrans-84-33.5178.7750000113.8Q654 V655 I656 R664Q654-S658 WeakPolarHBondContact O-CB 3.48Å; Q654-S658 PolarHBondContact O-N 3.39Å; Q654-S658 VanDerWaalsContact O-N 3.11Å; V655-S658 PolarHBondContact O-N 3.34Å; V655-S658 VanDerWaalsContact O-N 3.14Å; V655-S658 PolarHBondContact O-OG 2.87Å; I656-S658 PolarHBondContact O-N 2.86Å; S658-R664 PolarHBondContact O-NH2 2.88Å
659R70.6Confident63.1Low203 Ų203106.4 Ų106.477%0.76650%0.496SS*.Hα-helixtrans-87.9-28.7-174.5-80.9173.6172.3172-3.6113.7V655 I656 P661V655-R659 PolarHBondContact O-N 3.49Å; I656-R659 PolarHBondContact O-N 2.94Å; R659-P661 WeakPolarHBondContact O-CD 3.41Å
660T62.8Low62.4Low55 Ų55107.9 Ų107.934%0.33749%0.493SS..  trans-98.8110.6-178-16.70000111I656 R662 L663 R664I656-T660 PolarHBondContact O-N 3.4Å; I656-T660 PolarHBondContact O-OG1 2.96Å; T660-R662 PolarHBondContact O-N 3.17Å; T660-R662 VanDerWaalsContact O-N 3.15Å; T660-L663 HydrophobicContact CG2-CD1 3.91Å; T660-L663 PolarHBondContact O-N 2.93Å; T660-R664 PolarHBondContact O-N 3.39Å
661P61Low62.1Low100 Ų100109.1 Ų109.165%0.64949%0.488SS*.G310 helixtrans-62.2-27.4-174.421.5-31.5000113.4R659 L663 R664R659-P661 WeakPolarHBondContact O-CD 3.41Å; P661-L663 VanDerWaalsContact C-N 3.31Å; P661-L663 PolarHBondContact O-N 2.92Å; P661-R664 PolarHBondContact O-N 3.45Å
662R55.1Low61.5Low211 Ų211103.7 Ų103.780%0.79648%0.478SS*.G310 helixtrans-69.5-27.1176.4-55.5-138.291.11748.5113.4T660T660-R662 PolarHBondContact O-N 3.17Å; T660-R662 VanDerWaalsContact O-N 3.15Å
663L60.1Low60.3Low64 Ų64107.5 Ų107.534%0.33549%0.487SS..G310 helixtrans-87.1-9.8178.5-81123000113.3L657 T660 P661 R665 T666 R667L657-L663 HydrophobicContact CD2-CB 3.73Å; L657-L663 HydrophobicContact CD2-CD2 3.54Å; L657-L663 HydrophobicContact CD2-CG 4.26Å; T660-L663 HydrophobicContact CG2-CD1 3.91Å; T660-L663 PolarHBondContact O-N 2.93Å; P661-L663 VanDerWaalsContact C-N 3.31Å; P661-L663 PolarHBondContact O-N 2.92Å; L663-R665 VanDerWaalsContact C-N 3.29Å; L663-R665 PolarHBondContact O-N 2.88Å; L663-T666 WeakPolarHBondContact O-CB 3.33Å; L663-T666 PolarHBondContact O-N 3.23Å; L663-R667 PolarHBondContact O-N 3.35Å
664R56Low59.5Low149 Ų149110.9 Ų110.956%0.56250%0.495SS*.Hα-helixtrans-63.5-31.3174.6-75-172.4177-174.8-0.1113S658 T660 P661 T666 R667 T668S658-R664 PolarHBondContact O-NH2 2.88Å; T660-R664 PolarHBondContact O-N 3.39Å; P661-R664 PolarHBondContact O-N 3.45Å; R664-T666 VanDerWaalsContact C-N 3.31Å; R664-T666 PolarHBondContact O-N 3.23Å; R664-R667 WeakPolarHBondContact O-CA 3.4Å; R664-R667 WeakPolarHBondContact O-CB 3.5Å; R664-R667 PolarHBondContact O-N 2.9Å; R664-R667 VanDerWaalsContact O-N 3.1Å; R664-T668 PolarHBondContact O-N 3.48Å; R664-T668 PolarHBondContact O-OG1 3.14Å
665R52.9Low58.8Low199 Ų199116 Ų11675%0.75151%0.51SS*.Hα-helixtrans-62.9-38.3176.9-76.5-176.6177.2161.5-1.4112.2L663 R667 T668 Y669L663-R665 VanDerWaalsContact C-N 3.29Å; L663-R665 PolarHBondContact O-N 2.88Å; R665-R667 VanDerWaalsContact C-N 3.35Å; R665-T668 PolarHBondContact O-N 3.02Å; R665-Y669 PolarHBondContact O-N 3.27Å; R665-Y669 VanDerWaalsContact O-N 3.08Å
666T58.1Low57.9Low31 Ų31117.1 Ų117.119%0.1952%0.52CS..Hα-helixtrans-64.6-39.8173.2-49.10000110.8Y6 L663 R664 T668 Y669 Y670Y6-T666 HydrophobicContact CE1-CG2 4.47Å; Y6-T666 HydrophobicContact CE2-CG2 4.12Å; Y6-T666 WeakPolarHBondContact OH-CG2 3.36Å; L663-T666 WeakPolarHBondContact O-CB 3.33Å; L663-T666 PolarHBondContact O-N 3.23Å; R664-T666 VanDerWaalsContact C-N 3.31Å; R664-T666 PolarHBondContact O-N 3.23Å; T666-T668 PolarHBondContact O-N 3.44Å; T666-Y669 PolarHBondContact O-N 2.95Å; T666-Y670 HydrophobicContact CG2-CD2 3.67Å; T666-Y670 HydrophobicContact CG2-CE2 3.52Å; T666-Y670 WeakPolarHBondContact O-CD2 3.29Å; T666-Y670 PolarHBondContact O-N 3.29Å
667R50.8Low56.5Low97 Ų97120.7 Ų120.737%0.36654%0.535SS..Hα-helixtrans-62.5-36.9174.2178.5177.2167150.6-3.9113.1L663 R664 R665 R671L663-R667 PolarHBondContact O-N 3.35Å; R664-R667 WeakPolarHBondContact O-CA 3.4Å; R664-R667 WeakPolarHBondContact O-CB 3.5Å; R664-R667 PolarHBondContact O-N 2.9Å; R664-R667 VanDerWaalsContact O-N 3.1Å; R665-R667 VanDerWaalsContact C-N 3.35Å; R667-R671 PolarHBondContact O-N 3.41Å; R667-R671 VanDerWaalsContact O-N 3.12Å
668T57.8Low55.6Low89 Ų89128.2 Ų128.255%0.54659%0.586SS.*Hα-helixtrans-67.6-43.8174.7-26.80000110.9R664 R665 T666 Y670 R671 T672R664-T668 PolarHBondContact O-N 3.48Å; R664-T668 PolarHBondContact O-OG1 3.14Å; R665-T668 PolarHBondContact O-N 3.02Å; T666-T668 PolarHBondContact O-N 3.44Å; T668-Y670 PolarHBondContact O-N 2.91Å; T668-R671 PolarHBondContact O-N 3.48Å; T668-R671 VanDerWaalsContact O-N 3.12Å; T668-T672 PolarHBondContact O-N 2.83Å; T668-T672 PolarHBondContact O-OG1 3.16Å
669Y52.9Low54.9Low118 Ų118132.4 Ų132.446%0.46360%0.599SS.*Hα-helixtrans-61.2-41.5176.2-159.3-90.7000112.2R665 T666 R671 T672 Y673R665-Y669 PolarHBondContact O-N 3.27Å; R665-Y669 VanDerWaalsContact O-N 3.08Å; T666-Y669 PolarHBondContact O-N 2.95Å; Y669-R671 VanDerWaalsContact C-N 3.32Å; Y669-R671 PolarHBondContact O-N 2.95Å; Y669-T672 PolarHBondContact O-OG1 3.13Å; Y669-Y673 HydrophobicContact CE1-CD2 4.24Å; Y669-Y673 WeakPolarHBondContact O-CB 3.46Å; Y669-Y673 PolarHBondContact O-N 3.27Å
670Y53.4Low54Low109 Ų109128.7 Ų128.743%0.42759%0.591SS.*Hα-helixtrans-67.5-28.3175-87.5-73.3000113.4T666 T668T666-Y670 HydrophobicContact CG2-CD2 3.67Å; T666-Y670 HydrophobicContact CG2-CE2 3.52Å; T666-Y670 WeakPolarHBondContact O-CD2 3.29Å; T666-Y670 PolarHBondContact O-N 3.29Å; T668-Y670 PolarHBondContact O-N 2.91Å
671R58.6Low53.6Low164 Ų164132.8 Ų132.862%0.61961%0.605SS**Hα-helixtrans-81.1-32.5177.4-107.4-168.3177.5-172.6-1.3113.5R667 T668 Y669R667-R671 PolarHBondContact O-N 3.41Å; R667-R671 VanDerWaalsContact O-N 3.12Å; T668-R671 PolarHBondContact O-N 3.48Å; T668-R671 VanDerWaalsContact O-N 3.12Å; Y669-R671 VanDerWaalsContact C-N 3.32Å; Y669-R671 PolarHBondContact O-N 2.95Å
672T56.2Low53.1Low87 Ų87134.7 Ų134.753%0.53460%0.602SS.*Hα-helixtrans-79.6-37.9-179.651.20000112T668 Y669 W674 S676T668-T672 PolarHBondContact O-N 2.83Å; T668-T672 PolarHBondContact O-OG1 3.16Å; Y669-T672 PolarHBondContact O-OG1 3.13Å; T672-W674 PolarHBondContact O-N 3.48Å; T672-S676 PolarHBondContact O-OG 2.76Å
673Y47Very low53Low155 Ų155129.9 Ų129.961%0.60859%0.59SS**Hα-helixtrans-75.1-22.6-176.7-142.1-88.2000113.9Y669 S676Y669-Y673 HydrophobicContact CE1-CD2 4.24Å; Y669-Y673 WeakPolarHBondContact O-CB 3.46Å; Y669-Y673 PolarHBondContact O-N 3.27Å; Y673-S676 PolarHBondContact O-OG 2.82Å
674W51.2Low52.5Low157 Ų157134.3 Ų134.360%0.59561%0.607SS**THydrogen-bonded Turntrans-98.1-4.8-178.9-81.995.7000114.8I447 T672I447-W674 HydrophobicContact CD1-CH2 4.35Å; I447-W674 HydrophobicContact CD1-CZ2 4.31Å; T672-W674 PolarHBondContact O-N 3.48Å
675R53.4Low52.3Low214 Ų214133.3 Ų133.381%0.80861%0.61SS**SBendtrans-95.7-3.4170.3-88-167.3-166.1-95.73.2113.5
676S52.8Low52.2Low85 Ų85128.2 Ų128.259%0.59460%0.599SS**SBendtrans-108.521.3-171.453.40000114.3T672 Y673T672-S676 PolarHBondContact O-OG 2.76Å; Y673-S676 PolarHBondContact O-OG 2.82Å
677Q41.5Very low51.7Low167 Ų167136.3 Ų136.378%0.7863%0.633SS**  trans-114.3133.2164.5-80.4-111.2-41.200108.1
678P45.5Very low51.8Low194 Ų194139.9 Ų139.9100%1.2666%0.658SS**  trans-62017727.5-33.7000112.5

Retrieved 678 of 678 residues in 125 ms (Link to these results)