A0A077Z5A1_TRITR Loading...

Myelin transcription factor 1

AlphaFold DB , UniProt , Accession A0A077Z5A1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 942 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M38.7Very low38.1Very low238 Ų238153.2 Ų153.2100%1.17284%0.843SS**  01550-75.9175.3165.700108.8
2H34.8Very low38.3Very low190 Ų190148.3 Ų148.388%0.8884%0.837SS**  trans39.7118.8169.9-74.6-80.5000122.1
3R31.8Very low38.4Very low236 Ų236150.3 Ų150.389%0.89183%0.832SS**  trans-80.9150.3177.6170.7-169.5-169.2174.65.3112.5
4A38.2Very low38.5Very low90 Ų90147.1 Ų147.174%0.74483%0.825SS**  trans70.7157.716500000116.2
5T40.9Very low38.7Very low125 Ų125144.1 Ų144.177%0.76783%0.826SS**  cis-140.6152.623.350.80000115.9
6S39.8Very low39.4Very low117 Ų117143.1 Ų143.182%0.81882%0.823SS**  trans53.1117.4145.161.90000121.5
7G41.2Very low39.7Very low76 Ų76137.7 Ų137.778%0.78481%0.805SS**  trans-166.6126.316300000112.1
8F36.1Very low40.2Very low200 Ų200137.4 Ų137.488%0.87781%0.808SS**  trans-40.2146.6-172.3-70.4-99.3000118.5
9P39.3Very low40.5Very low123 Ų123135.7 Ų135.780%0.79980%0.8SS**  trans-78.2143.316434.2-32.9000111.4
10V42.5Very low40.8Very low134 Ų134139.2 Ų139.281%0.81281%0.805SS**  trans-129.3122.5165.2-179.60000107.2A12V10-A12 PolarHBondContact O-N 3.26Å
11E35.5Very low41.3Very low156 Ų156134.7 Ų134.773%0.72979%0.789SS**  trans-71122.3177.6-73.6-169.480.500111.4K13E11-K13 IonicContact OE1-NZ 2.62Å; E11-K13 PolarHBondContact OE1-NZ 3.2Å
12A40.5Very low41.7Very low94 Ų94128 Ų12878%0.77776%0.758SS**  trans-12983.5166.900000108.9V10 S14V10-A12 PolarHBondContact O-N 3.26Å; A12-S14 PolarHBondContact O-N 2.8Å
13K40.1Very low42.1Very low175 Ų175122.8 Ų122.876%0.76174%0.742SS**  trans-6990.6177.3-72.9-174.8169.391.40110.4E11 A15E11-K13 IonicContact OE1-NZ 2.62Å; E11-K13 PolarHBondContact OE1-NZ 3.2Å; K13-A15 PolarHBondContact O-N 3.32Å
14S40.4Very low43.2Very low106 Ų106115.1 Ų115.174%0.74172%0.724SS**  trans-7799.6169.9-171.90000109.8A12 V16A12-S14 PolarHBondContact O-N 2.8Å; S14-V16 PolarHBondContact O-N 3.15Å; S14-V16 VanDerWaalsContact O-N 3.11Å
15A41Very low44.2Very low101 Ų101119.9 Ų119.984%0.83572%0.723SS**  trans-76.294.117500000110.2K13 G17K13-A15 PolarHBondContact O-N 3.32Å; A15-G17 PolarHBondContact O-N 2.68Å
16V50.1Low45Very low129 Ų129120.9 Ų120.978%0.78272%0.719SS**  trans-72.9113.7169.5-179.20000108S14S14-V16 PolarHBondContact O-N 3.15Å; S14-V16 VanDerWaalsContact O-N 3.11Å
17G43.8Very low46.2Very low51 Ų51120 Ų12053%0.52670%0.704SS.*PPolyproline II helixtrans-68.7155.8175.600000112.2A15A15-G17 PolarHBondContact O-N 2.68Å
18P49Very low47.2Very low132 Ų132119.6 Ų119.686%0.85769%0.689SS**PPolyproline II helixtrans-61.9139.8-17625.8-34.5000111.9
19T46.4Very low48.9Very low105 Ų105114.1 Ų114.164%0.64467%0.672SS**PPolyproline II helixtrans-74.5147.3178.937.50000112.1G21T19-G21 PolarHBondContact O-N 3.34Å
20F47Very low50.5Low206 Ų206111.2 Ų111.290%0.90466%0.655SS**THydrogen-bonded Turntrans-63.64.1-172.8-122.9-96.4000116.4
21G49.8Very low52.1Low45 Ų45109.3 Ų109.346%0.46464%0.639SS.*THydrogen-bonded Turntrans-82.9-41.2-176.600000114T19 C23 S24T19-G21 PolarHBondContact O-N 3.34Å; G21-C23 PolarHBondContact O-N 2.94Å; G21-S24 WeakPolarHBondContact O-CB 3.31Å; G21-S24 PolarHBondContact O-N 3.24Å
22D47.9Very low54Low97 Ų97107.7 Ų107.752%0.51963%0.631SS.*THydrogen-bonded Turntrans-73.2-36.1-165.6-54.2-66.3000112.7S24 R25D22-S24 PolarHBondContact O-N 3.15Å; D22-S24 VanDerWaalsContact O-N 3.13Å; D22-R25 PolarHBondContact O-N 2.69Å
23C42.9Very low55.8Low81 Ų81105.9 Ų105.955%0.54762%0.616SS.*Hα-helixtrans-57.5-28175.3-171.20000113.1G21 R25 L27G21-C23 PolarHBondContact O-N 2.94Å; C23-R25 VanDerWaalsContact C-N 3.31Å; C23-R25 PolarHBondContact O-N 3.4Å; C23-L27 WeakPolarHBondContact O-CD1 3.47Å; C23-L27 PolarHBondContact O-N 3.46Å
24S55.7Low57.8Low74 Ų74101.5 Ų101.552%0.51760%0.604SS.*Hα-helixtrans-71-25.5176.3-59.80000113G21 D22 C28G21-S24 WeakPolarHBondContact O-CB 3.31Å; G21-S24 PolarHBondContact O-N 3.24Å; D22-S24 PolarHBondContact O-N 3.15Å; D22-S24 VanDerWaalsContact O-N 3.13Å; S24-C28 PolarHBondContact O-N 2.96Å; S24-C28 PolarHBondContact O-SG 3.29Å
25R58.3Low59.8Low190 Ų190101.4 Ų101.472%0.71760%0.595SS**Hα-helixtrans-77.9-43.6178.9-85.1179.9158.8165.5-7.4112.2D22 C23 L27 C28 T29D22-R25 PolarHBondContact O-N 2.69Å; C23-R25 VanDerWaalsContact C-N 3.31Å; C23-R25 PolarHBondContact O-N 3.4Å; R25-L27 VanDerWaalsContact C-N 3.3Å; R25-L27 PolarHBondContact O-N 2.87Å; R25-C28 PolarHBondContact O-N 3.01Å; R25-C28 VanDerWaalsContact O-N 3.12Å; R25-T29 PolarHBondContact O-N 3.34Å; R25-T29 PolarHBondContact O-OG1 3.45Å
26E57.7Low61.8Low147 Ų147102.3 Ų102.369%0.68758%0.581SS**Hα-helixtrans-67.3-31.9176.5-64.1-172.216300112.1T29 S30E26-T29 PolarHBondContact O-OG1 2.87Å; E26-S30 WeakPolarHBondContact O-CB 3.34Å; E26-S30 PolarHBondContact O-N 3.42Å; E26-S30 VanDerWaalsContact O-N 3.09Å; E26-S30 PolarHBondContact O-OG 2.76Å
27L64.4Low63.3Low97 Ų9799.8 Ų99.851%0.50857%0.57SS.*Hα-helixtrans-65.7-40.8167.6-98.3100.1000112.8C23 R25 S30 I31C23-L27 WeakPolarHBondContact O-CD1 3.47Å; C23-L27 PolarHBondContact O-N 3.46Å; R25-L27 VanDerWaalsContact C-N 3.3Å; R25-L27 PolarHBondContact O-N 2.87Å; L27-S30 WeakPolarHBondContact CA-OG 3.4Å; L27-S30 PolarHBondContact O-OG 3.44Å; L27-S30 VanDerWaalsContact O-OG 3.13Å; L27-I31 WeakPolarHBondContact O-CB 3.33Å; L27-I31 WeakPolarHBondContact O-CD1 3.43Å; L27-I31 WeakPolarHBondContact O-CG1 3.45Å; L27-I31 PolarHBondContact O-N 2.98Å
28C62.4Low65.3Low69 Ų69100.6 Ų100.647%0.46656%0.564SS.*Hα-helixtrans-65.4-47.7178-68.60000111.8S24 R25 S30 I31 E32S24-C28 PolarHBondContact O-N 2.96Å; S24-C28 PolarHBondContact O-SG 3.29Å; R25-C28 PolarHBondContact O-N 3.01Å; R25-C28 VanDerWaalsContact O-N 3.12Å; C28-S30 PolarHBondContact O-N 2.98Å; C28-I31 PolarHBondContact O-N 3.45Å; C28-E32 WeakPolarHBondContact O-CG 3.24Å; C28-E32 PolarHBondContact O-N 2.85Å
29T71.8Confident67Low84 Ų84100.4 Ų100.452%0.51555%0.552SS.*Hα-helixtrans-68-33-178.853.30000112.9R25 E26 A33R25-T29 PolarHBondContact O-N 3.34Å; R25-T29 PolarHBondContact O-OG1 3.45Å; E26-T29 PolarHBondContact O-OG1 2.87Å; T29-A33 WeakPolarHBondContact O-CB 3.28Å; T29-A33 PolarHBondContact O-N 2.86Å
30S72.9Confident68.8Low63 Ų63101.2 Ų101.244%0.44155%0.549SS..Hα-helixtrans-70.5-33.8172.354.10000112.8E26 L27 C28 V34E26-S30 WeakPolarHBondContact O-CB 3.34Å; E26-S30 PolarHBondContact O-N 3.42Å; E26-S30 VanDerWaalsContact O-N 3.09Å; E26-S30 PolarHBondContact O-OG 2.76Å; L27-S30 WeakPolarHBondContact CA-OG 3.4Å; L27-S30 PolarHBondContact O-OG 3.44Å; L27-S30 VanDerWaalsContact O-OG 3.13Å; C28-S30 PolarHBondContact O-N 2.98Å; S30-V34 WeakPolarHBondContact O-CB 3.39Å; S30-V34 VanDerWaalsContact O-CG2 3.27Å; S30-V34 WeakPolarHBondContact O-CG2 3.29Å; S30-V34 PolarHBondContact O-N 3.21Å; S30-V34 VanDerWaalsContact O-N 3.09Å
31I76.2Confident70.7Confident94 Ų9496.9 Ų96.948%0.48253%0.534SS..Hα-helixtrans-67.7-43.5171.8-70.7165.2000110.9L27 C28 V34 L35L27-I31 WeakPolarHBondContact O-CB 3.33Å; L27-I31 WeakPolarHBondContact O-CD1 3.43Å; L27-I31 WeakPolarHBondContact O-CG1 3.45Å; L27-I31 PolarHBondContact O-N 2.98Å; C28-I31 PolarHBondContact O-N 3.45Å; I31-V34 PolarHBondContact O-N 3.21Å; I31-L35 HydrophobicContact CG2-CD1 3.99Å; I31-L35 HydrophobicContact CG2-CG 4.44Å; I31-L35 WeakPolarHBondContact O-CG 3.29Å; I31-L35 PolarHBondContact O-N 2.91Å
32E75.7Confident72.4Confident122 Ų12299.7 Ų99.757%0.5754%0.538SS*.Hα-helixtrans-60.5-46.6177-73.5168.5169.100111.4C28 V34 L35 E36C28-E32 WeakPolarHBondContact O-CG 3.24Å; C28-E32 PolarHBondContact O-N 2.85Å; E32-V34 VanDerWaalsContact C-N 3.35Å; E32-V34 PolarHBondContact O-N 3.16Å; E32-L35 PolarHBondContact O-N 3.28Å; E32-E36 PolarHBondContact O-N 2.88Å
33A77.5Confident74.2Confident56 Ų56100.3 Ų100.346%0.46354%0.54SS..Hα-helixtrans-64-34.9176.200000113.6T29 S37T29-A33 WeakPolarHBondContact O-CB 3.28Å; T29-A33 PolarHBondContact O-N 2.86Å; A33-S37 WeakPolarHBondContact O-CB 3.36Å; A33-S37 PolarHBondContact O-N 3.28Å
34V81.9Confident76.1Confident82 Ų8299.2 Ų99.250%0.49753%0.533SS..Hα-helixtrans-69.4-38.6173.9167.40000111.3S30 I31 E32 S37 V38S30-V34 WeakPolarHBondContact O-CB 3.39Å; S30-V34 VanDerWaalsContact O-CG2 3.27Å; S30-V34 WeakPolarHBondContact O-CG2 3.29Å; S30-V34 PolarHBondContact O-N 3.21Å; S30-V34 VanDerWaalsContact O-N 3.09Å; I31-V34 PolarHBondContact O-N 3.21Å; E32-V34 VanDerWaalsContact C-N 3.35Å; E32-V34 PolarHBondContact O-N 3.16Å; V34-S37 PolarHBondContact O-N 3.47Å; V34-V38 VanDerWaalsContact O-CG2 3.3Å; V34-V38 WeakPolarHBondContact O-CG2 3.44Å; V34-V38 PolarHBondContact O-N 3.03Å
35L82.6Confident77.6Confident104 Ų10499 Ų9955%0.54553%0.529SS..Hα-helixtrans-65.4-46.2175.2-71.7169.9000111.4I31 E32 S37 V38 E39I31-L35 HydrophobicContact CG2-CD1 3.99Å; I31-L35 HydrophobicContact CG2-CG 4.44Å; I31-L35 WeakPolarHBondContact O-CG 3.29Å; I31-L35 PolarHBondContact O-N 2.91Å; E32-L35 PolarHBondContact O-N 3.28Å; L35-S37 VanDerWaalsContact C-N 3.33Å; L35-S37 PolarHBondContact O-N 3.4Å; L35-V38 PolarHBondContact O-N 2.96Å; L35-V38 VanDerWaalsContact O-N 3.09Å; L35-E39 PolarHBondContact O-N 2.99Å
36E82.8Confident79Confident120 Ų12094.6 Ų94.656%0.56152%0.523SS*.Hα-helixtrans-60.3-41.4176.5-172.9174.8-165.100111.8E32 V38 E39 Q40E32-E36 PolarHBondContact O-N 2.88Å; E36-V38 VanDerWaalsContact C-N 3.34Å; E36-V38 PolarHBondContact O-N 3.06Å; E36-E39 PolarHBondContact O-N 3Å; E36-Q40 WeakPolarHBondContact O-CG 3.48Å; E36-Q40 PolarHBondContact O-N 3.47Å
37S82.7Confident80.4Confident76 Ų7691 Ų9153%0.53151%0.511SS..Hα-helixtrans-65.3-33.9174.1-176.90000113.2A33 V34 L35 L41A33-S37 WeakPolarHBondContact O-CB 3.36Å; A33-S37 PolarHBondContact O-N 3.28Å; V34-S37 PolarHBondContact O-N 3.47Å; L35-S37 VanDerWaalsContact C-N 3.33Å; L35-S37 PolarHBondContact O-N 3.4Å; S37-L41 WeakPolarHBondContact O-CB 3.34Å; S37-L41 PolarHBondContact O-N 2.93Å; S37-L41 VanDerWaalsContact O-N 3.13Å
38V86.1Confident81.3Confident69 Ų6990.8 Ų90.842%0.41851%0.51SS..Hα-helixtrans-73.3-38175.4167.40000111.2V34 L35 E36 L41 L42V34-V38 VanDerWaalsContact O-CG2 3.3Å; V34-V38 WeakPolarHBondContact O-CG2 3.44Å; V34-V38 PolarHBondContact O-N 3.03Å; L35-V38 PolarHBondContact O-N 2.96Å; L35-V38 VanDerWaalsContact O-N 3.09Å; E36-V38 VanDerWaalsContact C-N 3.34Å; E36-V38 PolarHBondContact O-N 3.06Å; V38-L41 PolarHBondContact O-N 3.32Å; V38-L42 HydrophobicContact CG1-CD1 3.97Å; V38-L42 HydrophobicContact CG1-CG 4.41Å; V38-L42 WeakPolarHBondContact O-CB 3.38Å; V38-L42 VanDerWaalsContact O-CG 3.3Å; V38-L42 WeakPolarHBondContact O-CG 3.48Å; V38-L42 PolarHBondContact O-N 2.97Å
39E84.5Confident82.4Confident128 Ų12891.3 Ų91.360%0.59851%0.507SS*.Hα-helixtrans-63.8-44.6174-72.8-171.6164.700111.5L35 E36 L41 L42 I43L35-E39 PolarHBondContact O-N 2.99Å; E36-E39 PolarHBondContact O-N 3Å; E39-L41 VanDerWaalsContact C-N 3.33Å; E39-L41 PolarHBondContact O-N 3.24Å; E39-L42 PolarHBondContact O-N 3.38Å; E39-I43 VanDerWaalsContact O-CG1 3.26Å; E39-I43 WeakPolarHBondContact O-CG1 3.26Å; E39-I43 PolarHBondContact O-N 3.43Å
40Q84.3Confident82.9Confident122 Ų12289.5 Ų89.557%0.5750%0.501SS*.Hα-helixtrans-61.2-39.7174.4-70.1-178.525.800112.5E36 I43 S44E36-Q40 WeakPolarHBondContact O-CG 3.48Å; E36-Q40 PolarHBondContact O-N 3.47Å; Q40-I43 PolarHBondContact O-N 3.37Å; Q40-S44 PolarHBondContact O-N 3.25Å
41L86.8Confident83.4Confident114 Ų11490.7 Ų90.760%0.59750%0.502SS*.Hα-helixtrans-65.6-42.2175.6-172.169.4000111.9S37 V38 E39 S44 V45S37-L41 WeakPolarHBondContact O-CB 3.34Å; S37-L41 PolarHBondContact O-N 2.93Å; S37-L41 VanDerWaalsContact O-N 3.13Å; V38-L41 PolarHBondContact O-N 3.32Å; E39-L41 VanDerWaalsContact C-N 3.33Å; E39-L41 PolarHBondContact O-N 3.24Å; L41-S44 PolarHBondContact O-N 3.09Å; L41-V45 WeakPolarHBondContact O-CG2 3.41Å; L41-V45 PolarHBondContact O-N 2.94Å
42L85.5Confident83.7Confident105 Ų10592.3 Ų92.355%0.5551%0.508SS..Hα-helixtrans-64.3-41176.1-74.4169.1000111.8V38 E39 V45 V46V38-L42 HydrophobicContact CG1-CD1 3.97Å; V38-L42 HydrophobicContact CG1-CG 4.41Å; V38-L42 WeakPolarHBondContact O-CB 3.38Å; V38-L42 VanDerWaalsContact O-CG 3.3Å; V38-L42 WeakPolarHBondContact O-CG 3.48Å; V38-L42 PolarHBondContact O-N 2.97Å; E39-L42 PolarHBondContact O-N 3.38Å; L42-V45 PolarHBondContact O-N 2.89Å; L42-V46 WeakPolarHBondContact O-CB 3.22Å; L42-V46 VanDerWaalsContact O-CG2 3.31Å; L42-V46 WeakPolarHBondContact O-CG2 3.49Å; L42-V46 PolarHBondContact O-N 3.25Å
43I86Confident83.8Confident110 Ų11091.1 Ų91.156%0.56450%0.503SS*.Hα-helixtrans-60.7-47.8174.6-69.6163000110.2E39 Q40 V45 V46 V47E39-I43 VanDerWaalsContact O-CG1 3.26Å; E39-I43 WeakPolarHBondContact O-CG1 3.26Å; E39-I43 PolarHBondContact O-N 3.43Å; Q40-I43 PolarHBondContact O-N 3.37Å; I43-V45 PolarHBondContact O-N 3.44Å; I43-V46 PolarHBondContact O-N 3Å; I43-V47 HydrophobicContact CG2-CG2 4.49Å; I43-V47 WeakPolarHBondContact O-CG2 3.26Å; I43-V47 PolarHBondContact O-N 2.91Å
44S83.4Confident84Confident57 Ų5793.5 Ų93.540%0.39951%0.509SS..Hα-helixtrans-61.1-41.5177.6176.70000112.7Q40 L41 V47 N48Q40-S44 PolarHBondContact O-N 3.25Å; L41-S44 PolarHBondContact O-N 3.09Å; S44-V47 PolarHBondContact O-N 3.41Å; S44-N48 WeakPolarHBondContact O-CB 3.49Å; S44-N48 PolarHBondContact O-N 3.35Å; S44-N48 PolarHBondContact O-OD1 3.13Å
45V86.9Confident83.9Confident70 Ų7094.9 Ų94.942%0.42451%0.513SS..Hα-helixtrans-65.9-39.7176.5170.10000111.6L41 L42 I43 I49L41-V45 WeakPolarHBondContact O-CG2 3.41Å; L41-V45 PolarHBondContact O-N 2.94Å; L42-V45 PolarHBondContact O-N 2.89Å; I43-V45 PolarHBondContact O-N 3.44Å; V45-I49 HydrophobicContact CG1-CD1 3.77Å; V45-I49 WeakPolarHBondContact O-CB 3.48Å; V45-I49 WeakPolarHBondContact O-CD1 3.37Å; V45-I49 VanDerWaalsContact O-CG1 3.26Å; V45-I49 WeakPolarHBondContact O-CG1 3.31Å; V45-I49 PolarHBondContact O-N 2.98Å
46V86.6Confident83.7Confident98 Ų9894.3 Ų94.359%0.59451%0.509SS*.Hα-helixtrans-67.6-40.2177.4169.30000111.9L42 I43 I49 A50L42-V46 WeakPolarHBondContact O-CB 3.22Å; L42-V46 VanDerWaalsContact O-CG2 3.31Å; L42-V46 WeakPolarHBondContact O-CG2 3.49Å; L42-V46 PolarHBondContact O-N 3.25Å; I43-V46 PolarHBondContact O-N 3Å; V46-I49 PolarHBondContact O-N 3.35Å; V46-A50 WeakPolarHBondContact O-CB 3.45Å; V46-A50 PolarHBondContact O-N 3.46Å
47V87.4Confident83.1Confident71 Ų7192.1 Ų92.143%0.4350%0.502SS..Hα-helixtrans-63.3-49.3174.9171.70000110.6I43 S44 I49 A50 D51I43-V47 HydrophobicContact CG2-CG2 4.49Å; I43-V47 WeakPolarHBondContact O-CG2 3.26Å; I43-V47 PolarHBondContact O-N 2.91Å; S44-V47 PolarHBondContact O-N 3.41Å; V47-I49 VanDerWaalsContact C-N 3.28Å; V47-I49 PolarHBondContact O-N 2.86Å; V47-A50 WeakPolarHBondContact O-CB 3.46Å; V47-A50 PolarHBondContact O-N 3.41Å; V47-D51 PolarHBondContact O-N 3.01Å
48N84.1Confident82.6Confident93 Ų9390.8 Ų90.850%0.49750%0.495SS..Hα-helixtrans-59.4-38.3179-67.3-0.2000112.5S44 E52S44-N48 WeakPolarHBondContact O-CB 3.49Å; S44-N48 PolarHBondContact O-N 3.35Å; S44-N48 PolarHBondContact O-OD1 3.13Å; N48-E52 WeakPolarHBondContact O-CB 3.39Å; N48-E52 PolarHBondContact O-N 3.04Å
49I84Confident81.9Confident79 Ų7992.4 Ų92.441%0.40551%0.505SS..Hα-helixtrans-69.6-35.8175.9-69.5167.7000111.4V45 V46 V47 M53V45-I49 HydrophobicContact CG1-CD1 3.77Å; V45-I49 WeakPolarHBondContact O-CB 3.48Å; V45-I49 WeakPolarHBondContact O-CD1 3.37Å; V45-I49 VanDerWaalsContact O-CG1 3.26Å; V45-I49 WeakPolarHBondContact O-CG1 3.31Å; V45-I49 PolarHBondContact O-N 2.98Å; V46-I49 PolarHBondContact O-N 3.35Å; V47-I49 VanDerWaalsContact C-N 3.28Å; V47-I49 PolarHBondContact O-N 2.86Å; I49-M53 HydrophobicContact CG2-CG 4.46Å; I49-M53 HydrophobicContact CG2-SD 4.23Å; I49-M53 WeakPolarHBondContact O-CB 3.41Å; I49-M53 VanDerWaalsContact O-CG 3.29Å; I49-M53 WeakPolarHBondContact O-CG 3.27Å; I49-M53 PolarHBondContact O-N 3.49Å
50A83.1Confident81Confident46 Ų4691 Ų9138%0.3850%0.501SS..Hα-helixtrans-65.7-47.6174.500000111.2V46 V47 E52 M53 D54V46-A50 WeakPolarHBondContact O-CB 3.45Å; V46-A50 PolarHBondContact O-N 3.46Å; V47-A50 WeakPolarHBondContact O-CB 3.46Å; V47-A50 PolarHBondContact O-N 3.41Å; A50-E52 VanDerWaalsContact C-N 3.32Å; A50-E52 PolarHBondContact O-N 3.09Å; A50-M53 PolarHBondContact O-N 2.92Å; A50-D54 PolarHBondContact O-N 3.42Å
51D82.5Confident80.2Confident89 Ų8989 Ų8948%0.47650%0.501SS..Hα-helixtrans-59.8-40.9175.6-68.7-25.5000111.4V47 N55V47-D51 PolarHBondContact O-N 3.01Å; D51-N55 WeakPolarHBondContact O-CB 3.45Å; D51-N55 PolarHBondContact O-N 3.01Å; D51-N55 PolarHBondContact O-ND2 2.95Å
52E82.7Confident78.9Confident127 Ų12789.1 Ų89.159%0.59350%0.502SS*.Hα-helixtrans-67.7-40.3176.3-170.3170.7-149.900112N48 A50 N55 I56N48-E52 WeakPolarHBondContact O-CB 3.39Å; N48-E52 PolarHBondContact O-N 3.04Å; A50-E52 VanDerWaalsContact C-N 3.32Å; A50-E52 PolarHBondContact O-N 3.09Å; E52-N55 PolarHBondContact O-N 3.39Å; E52-I56 HydrophobicContact CG-CD1 4.27Å; E52-I56 VanDerWaalsContact O-CG1 3.29Å; E52-I56 WeakPolarHBondContact O-CG1 3.47Å; E52-I56 PolarHBondContact O-N 3Å
53M79.4Confident77.4Confident97 Ų9788 Ų8848%0.47850%0.503SS..Hα-helixtrans-65-41.3174.3-77.6-175.962.900112.6I49 A50 I56 N57I49-M53 HydrophobicContact CG2-CG 4.46Å; I49-M53 HydrophobicContact CG2-SD 4.23Å; I49-M53 WeakPolarHBondContact O-CB 3.41Å; I49-M53 VanDerWaalsContact O-CG 3.29Å; I49-M53 WeakPolarHBondContact O-CG 3.27Å; I49-M53 PolarHBondContact O-N 3.49Å; A50-M53 PolarHBondContact O-N 2.92Å; M53-I56 PolarHBondContact O-N 3.2Å; M53-N57 WeakPolarHBondContact O-CB 3.38Å; M53-N57 PolarHBondContact O-N 3.41Å; M53-N57 PolarHBondContact O-ND2 3.29Å; M53-N57 VanDerWaalsContact O-ND2 3.16Å
54D80.7Confident75.8Confident107 Ų10791.3 Ų91.357%0.57252%0.516SS*.Hα-helixtrans-70.8-33.2177.8-79.9-15.2000112.1A50 N57 A58A50-D54 PolarHBondContact O-N 3.42Å; D54-N57 PolarHBondContact O-N 3Å; D54-A58 WeakPolarHBondContact O-CB 3.31Å; D54-A58 PolarHBondContact O-N 3.39Å
55N80.9Confident74Confident110 Ų11092.8 Ų92.859%0.58853%0.526SS*.Hα-helixtrans-63.6-42.6168.4-82.4-70.6000112.2D51 E52 A58 V59D51-N55 WeakPolarHBondContact O-CB 3.45Å; D51-N55 PolarHBondContact O-N 3.01Å; D51-N55 PolarHBondContact O-ND2 2.95Å; E52-N55 PolarHBondContact O-N 3.39Å; N55-A58 PolarHBondContact O-N 3.04Å; N55-V59 WeakPolarHBondContact O-CG2 3.3Å; N55-V59 PolarHBondContact O-N 3.1Å
56I76.9Confident71.4Confident92 Ų9295 Ų9547%0.47254%0.543SS..Hα-helixtrans-63.2-44.2174.9-70163.9000110.7E52 M53 A58 V59 L60E52-I56 HydrophobicContact CG-CD1 4.27Å; E52-I56 VanDerWaalsContact O-CG1 3.29Å; E52-I56 WeakPolarHBondContact O-CG1 3.47Å; E52-I56 PolarHBondContact O-N 3Å; M53-I56 PolarHBondContact O-N 3.2Å; I56-A58 VanDerWaalsContact C-N 3.33Å; I56-A58 PolarHBondContact O-N 3.35Å; I56-V59 PolarHBondContact O-N 3.37Å; I56-L60 HydrophobicContact CG2-CD1 4.06Å; I56-L60 WeakPolarHBondContact O-CG 3.39Å; I56-L60 PolarHBondContact O-N 3.4Å
57N71Confident69.1Low75 Ų7595 Ų9540%0.40155%0.548SS..Hα-helixtrans-62.3-38.9176.3-70-31.7000111.9M53 D54 L60 S61M53-N57 WeakPolarHBondContact O-CB 3.38Å; M53-N57 PolarHBondContact O-N 3.41Å; M53-N57 PolarHBondContact O-ND2 3.29Å; M53-N57 VanDerWaalsContact O-ND2 3.16Å; D54-N57 PolarHBondContact O-N 3Å; N57-L60 PolarHBondContact O-N 3.42Å; N57-S61 WeakPolarHBondContact O-CB 3.33Å; N57-S61 PolarHBondContact O-N 3.43Å; N57-S61 PolarHBondContact O-OG 3.13Å
58A72.4Confident66.5Low48 Ų4899.7 Ų99.740%0.39757%0.571SS.*Hα-helixtrans-66-40.5175.800000112.3D54 N55 I56 S61 N62D54-A58 WeakPolarHBondContact O-CB 3.31Å; D54-A58 PolarHBondContact O-N 3.39Å; N55-A58 PolarHBondContact O-N 3.04Å; I56-A58 VanDerWaalsContact C-N 3.33Å; I56-A58 PolarHBondContact O-N 3.35Å; A58-S61 PolarHBondContact O-N 3.26Å; A58-N62 VanDerWaalsContact O-CG 3.31Å; A58-N62 PolarHBondContact O-N 3.39Å; A58-N62 VanDerWaalsContact O-N 3.15Å; A58-N62 PolarHBondContact O-ND2 3.1Å; A58-N62 VanDerWaalsContact O-ND2 3.15Å
59V72Confident64.6Low103 Ų103104.2 Ų104.262%0.62459%0.589SS**Hα-helixtrans-64.2-43.8174.4171.20000111.3N55 I56 N62 S63N55-V59 WeakPolarHBondContact O-CG2 3.3Å; N55-V59 PolarHBondContact O-N 3.1Å; I56-V59 PolarHBondContact O-N 3.37Å; V59-N62 PolarHBondContact O-N 3.3Å; V59-S63 PolarHBondContact O-N 2.91Å
60L65.6Low62.7Low98 Ų98109.8 Ų109.851%0.51361%0.613SS.*Hα-helixtrans-62.9-45.6175.5-70.7171000111.8I56 N57 N62 S63I56-L60 HydrophobicContact CG2-CD1 4.06Å; I56-L60 WeakPolarHBondContact O-CG 3.39Å; I56-L60 PolarHBondContact O-N 3.4Å; N57-L60 PolarHBondContact O-N 3.42Å; L60-N62 PolarHBondContact O-N 2.83Å; L60-S63 WeakPolarHBondContact O-CB 3.43Å; L60-S63 PolarHBondContact O-N 2.9Å; L60-S63 PolarHBondContact O-OG 3.36Å
61S67.2Low60.7Low80 Ų80117.4 Ų117.456%0.55964%0.641SS**Hα-helixtrans-58.2-34.9178.7-580000112.8N57 A58N57-S61 WeakPolarHBondContact O-CB 3.33Å; N57-S61 PolarHBondContact O-N 3.43Å; N57-S61 PolarHBondContact O-OG 3.13Å; A58-S61 PolarHBondContact O-N 3.26Å
62N59.5Low59.1Low117 Ų117120.1 Ų120.163%0.62665%0.65SS**Hα-helixtrans-71.7-29.3175.6-70.3-31.8000112.6A58 V59 L60 S65A58-N62 VanDerWaalsContact O-CG 3.31Å; A58-N62 PolarHBondContact O-N 3.39Å; A58-N62 VanDerWaalsContact O-N 3.15Å; A58-N62 PolarHBondContact O-ND2 3.1Å; A58-N62 VanDerWaalsContact O-ND2 3.15Å; V59-N62 PolarHBondContact O-N 3.3Å; L60-N62 PolarHBondContact O-N 2.83Å; N62-S65 PolarHBondContact O-OG 3.45Å
63S53.8Low57.1Low81 Ų81122 Ų12257%0.56666%0.657SS**Hα-helixtrans-74.8-23.5-175.272.70000114.7V59 L60 S65V59-S63 PolarHBondContact O-N 2.91Å; L60-S63 WeakPolarHBondContact O-CB 3.43Å; L60-S63 PolarHBondContact O-N 2.9Å; L60-S63 PolarHBondContact O-OG 3.36Å; S63-S65 PolarHBondContact O-N 3.47Å
64E51.9Low55.3Low179 Ų179123.2 Ų123.284%0.83667%0.669SS**THydrogen-bonded Turntrans-80.32.1179.9-63.6-170.3115.800114
65S45.1Very low53.3Low89 Ų89124.3 Ų124.362%0.62268%0.675SS**THydrogen-bonded Turntrans-93.6-8.6-171.166.50000116.2N62 S63N62-S65 PolarHBondContact O-OG 3.45Å; S63-S65 PolarHBondContact O-N 3.47Å
66C32.9Very low51.5Low115 Ų115126 Ų12678%0.77768%0.68SS**  trans-107.867.7-167.7-71.40000114.9
67S37.5Very low50Low98 Ų98129.2 Ų129.269%0.68569%0.693SS**  trans-167.1118.5154.846.70000110.7
68N34Very low48.2Very low171 Ų171131.5 Ų131.591%0.91471%0.709SS**  trans160.151.6161.3-86.8-44.7000113.5
69E42.8Very low46.7Very low188 Ų188135.9 Ų135.988%0.87973%0.731SS**  trans-139.8157.9165.6-68.5-164.3141.500110.4
70E44.9Very low44.9Very low195 Ų195137.7 Ų137.791%0.91174%0.737SS**  trans67.4123.1-172.7-48-172.915300113.7
71E42Very low43.6Very low206 Ų206142.9 Ų142.996%0.96376%0.756SS**  cis-122.2163.829.2-63.1-179.1105.600115.5
72E47.3Very low42.1Very low146 Ų146143.6 Ų143.668%0.68276%0.761SS**  trans-129135.5-176-162.2-149.7144.300113.1
73K41Very low41.1Very low168 Ų168143.8 Ų143.873%0.7377%0.766SS**  trans62.9165.7176.8-67.7165.2176.9134.10113.5
74V41.3Very low40.4Very low122 Ų122145.2 Ų145.274%0.73978%0.776SS**  cis-155.8142.137.2168.90000105.9
75D40Very low40Very low129 Ų129142.2 Ų142.269%0.6977%0.772SS**  cis-151.6178.28.1-121.2-22.3000111.2
76E42.7Very low39.6Very low147 Ų147145.8 Ų145.869%0.68778%0.783SS**  trans19.8143.3150-57.3-159.1102.700122.3
77Q44.6Very low39.7Very low159 Ų159144.8 Ų144.874%0.74378%0.783SS**  cis-155.9164.714.6-134.9169.84400112.8
78T33.6Very low39.8Very low122 Ų122148.9 Ų148.975%0.74879%0.791SS**  trans-83.3148.9-174.950.70000114.8
79V40.4Very low40.5Very low140 Ų140145.9 Ų145.985%0.84878%0.781SS**  -176.3145.2110.1-87.90000112.4
80D33.6Very low40.8Very low142 Ų142144.4 Ų144.476%0.75978%0.776SS**  trans-74.7156.7174.3-48.7-96.2000113.9
81F39.7Very low40.7Very low206 Ų206140.4 Ų140.490%0.90476%0.761SS**  -176.3179.7112.3-105.2-72.6000111.4
82S35.7Very low40.9Very low95 Ų95138.3 Ų138.366%0.66475%0.751SS**  trans-133.4170-147.658.60000116.7
83V37.2Very low40.9Very low122 Ų122138.9 Ų138.974%0.73975%0.753SS**  trans87.388.9160.4-171.90000118.5
84S40.7Very low41Very low110 Ų110137.3 Ų137.377%0.76975%0.748SS**  65.5-170.7124.1-42.40000118.3
85P43.9Very low41Very low116 Ų116139.1 Ų139.175%0.75375%0.753SS**  -127.1175.3-107.837.9-18.9000114.8
86I34.9Very low41.2Very low165 Ų165140 Ų14085%0.84675%0.753SS**  trans177.4140.3143.3-97.4152.9000112
87A35.9Very low41.2Very low94 Ų94138.2 Ų138.278%0.77775%0.754SS**  trans45.4144.3156.400000123.5
88E39.3Very low41Very low183 Ų183137.8 Ų137.886%0.85576%0.762SS**  trans-67.5169159.9-50.5169.3143.800111
89P49.2Very low41.1Very low109 Ų109139.8 Ų139.871%0.70876%0.762SS**  -153144.492.540-21.9000118
90M48.5Very low40.8Very low156 Ų156139.3 Ų139.377%0.76876%0.76SS**  71.2135.9125.4-67.217760.800125
91D43Very low41.1Very low112 Ų112137.1 Ų137.160%0.59976%0.762SS**  trans101.8147.7134.4-67-12.3000124.6
92H46.2Very low41Very low162 Ų162132.7 Ų132.775%0.7576%0.757SS**  trans71.4137.3166.8-53.2-62.8000118.7
93E47Very low41.3Very low158 Ų158133.4 Ų133.474%0.73876%0.759SS**  cis-147.1135.3-10.7-107173.7165.900106.8
94E43Very low41.3Very low134 Ų134137.5 Ų137.563%0.62677%0.767SS**  59.910988.8-147.6175.2154.200113.4H96E94-H96 VanDerWaalsContact CG-CD2 3.45Å; E94-H96 WeakPolarHBondContact CG-CD2 3.38Å; E94-H96 IonicContact OE1-CD2 2.77Å; E94-H96 IonicContact OE1-NE2 2.95Å
95L42.2Very low41.1Very low161 Ų161143 Ų14384%0.84377%0.771SS**  -165175.974.7-74.5156.1000110.5
96H44.4Very low41.2Very low148 Ų148143.1 Ų143.169%0.68577%0.771SS**  -150.2153.3-75.2-118.8-65.8000108.4E94E94-H96 VanDerWaalsContact CG-CD2 3.45Å; E94-H96 WeakPolarHBondContact CG-CD2 3.38Å; E94-H96 IonicContact OE1-CD2 2.77Å; E94-H96 IonicContact OE1-NE2 2.95Å
97P43.2Very low41.4Very low109 Ų109141.1 Ų141.171%0.70876%0.762SS**  trans-101.1165.9-173.638.6-31.5000113.8
98V39.9Very low41.5Very low149 Ų149143.3 Ų143.390%0.90376%0.761SS**  trans-139141.1166.3179.30000110.7
99E36.2Very low41.6Very low164 Ų164142.2 Ų142.277%0.76676%0.756SS**  trans-109.8173.3-178.1-55.4175.7105.800113
100T34.4Very low41.3Very low131 Ų131144.6 Ų144.680%0.80476%0.762SS**  trans76158.3152.671.40000122.3
101A39.1Very low40.8Very low96 Ų96141 Ų14179%0.79376%0.764SS**  trans86.7100.8148.300000121.5
102S36.5Very low40.6Very low113 Ų113140.3 Ų140.379%0.7977%0.774SS**  trans-57.5165.8142.9-26.80000111.2
103P42.9Very low40.3Very low110 Ų110141 Ų14171%0.71478%0.778SS**  -162.9167.959.643.6-21.1000121.6
104K38.2Very low40Very low208 Ų208143 Ų14390%0.90479%0.787SS**  trans71.2155.1142.2-76.8166.6-177.9177.10122.4
105R35.6Very low39.6Very low226 Ų226141.7 Ų141.785%0.85380%0.799SS**  trans-100.7178.8176.7-52179.4-179.4-164.2-0.4110.9
106P46.4Very low39.4Very low117 Ų117137.3 Ų137.376%0.7679%0.793SS**  -149.6148.489.138.5-21000118.2
107N37.8Very low39.2Very low123 Ų123139 Ų13966%0.65880%0.801SS**  trans32.6164.3134.9-56.210.5000126
108D39.8Very low39Very low141 Ų141139.5 Ų139.575%0.75480%0.804SS**  trans76.7140.8155.8-52.9-37.7000117.7
109E40.7Very low39.1Very low159 Ų159138.4 Ų138.474%0.74380%0.797SS**  cis-152.7160.51.6-128-172.3118.100112.2
110L42.9Very low39.2Very low160 Ų160140.1 Ų140.184%0.83880%0.803SS**  trans30.4123.6157.5-59173.3000122.5
111G36.9Very low39.6Very low80 Ų80144.8 Ų144.883%0.82581%0.805SS**  trans-164.3135.1164.900000113.9
112A40Very low39.4Very low97 Ų97151.7 Ų151.780%0.80281%0.811SS**  trans-85.3161.2-161.700000117.4
113H38.3Very low39.6Very low178 Ų178158.1 Ų158.182%0.82482%0.818SS**  trans-19.1136.4165.4-54.4-104.6000118.6
114Q42.2Very low39.9Very low199 Ų199162.5 Ų162.593%0.9383%0.825SS**  -172.5166.2105.9-100.3169.453.800112.6
115A34.9Very low40.2Very low106 Ų106158.3 Ų158.388%0.87682%0.82SS**  trans-95.4154.9-178.700000112.3
116G36.8Very low40.3Very low70 Ų70155.3 Ų155.372%0.72282%0.821SS**  trans176.882.3177.200000117.6
117Q41.1Very low40.3Very low184 Ų184154.4 Ų154.486%0.8682%0.823SS**  trans55.5146150.4-63.9-177.4-19.600121.9
118P39.2Very low40.6Very low119 Ų119157.8 Ų157.877%0.77383%0.832SS**  trans-83.6122.5175.833-33.6000113.1K120P118-K120 PolarHBondContact O-N 3.29Å
119V42.3Very low40.7Very low125 Ų125159.4 Ų159.476%0.75883%0.834SS**  trans-81.298.7-179.8-176.40000111.8R121V119-R121 HydrophobicContact CG1-CG 4.03Å; V119-R121 PolarHBondContact O-N 2.93Å
120K38.1Very low40.9Very low201 Ų201158.8 Ų158.887%0.87484%0.835SS**  trans-58.9123.7169.9-61.8175.7-178.6176.40110.4P118P118-K120 PolarHBondContact O-N 3.29Å
121R41.3Very low40.8Very low228 Ų228160.6 Ų160.686%0.8684%0.836SS**  trans-126.197.9171.8-60.5-165.491.3176.26.1113.2V119V119-R121 HydrophobicContact CG1-CG 4.03Å; V119-R121 PolarHBondContact O-N 2.93Å
122R36.7Very low41Very low241 Ų241164.2 Ų164.291%0.90983%0.831SS**  trans52.199.6154-68.5-176.8163-167.9-8.7118.5
123R39.8Very low41.2Very low248 Ų248166.1 Ų166.194%0.93683%0.827SS**PPolyproline II helixtrans-61.7152.7137.3-68.1179.9175.8167.8-1.8109.1
124K48.8Very low41.7Very low202 Ų202163.3 Ų163.388%0.87882%0.822SS**PPolyproline II helixtrans-100.4153.5161.1-87.1-173.8173.7-175.70108.9
125P45.6Very low41.7Very low120 Ų120160.2 Ų160.278%0.77981%0.811SS**PPolyproline II helixtrans-86.9159.6-164.435.1-37000113.8
126D36.6Very low42Very low164 Ų164162.7 Ų162.788%0.87781%0.809SS**PPolyproline II helixtrans-67.3138.8162-62.5-67.7000110.8
127A45.9Very low42.5Very low98 Ų98164.3 Ų164.381%0.8181%0.806SS**  trans-104.199178.300000111
128K44.7Very low42.5Very low194 Ų194161.3 Ų161.384%0.84381%0.805SS**  trans-83.2157.1150.2-63.1-178.9-178.2179.40107.8
129H41.6Very low42.9Very low174 Ų174164.3 Ų164.381%0.80681%0.809SS**  trans62.891.6-178.9-7155.6000116.1
130I46.3Very low42.9Very low147 Ų147161 Ų16175%0.75480%0.801SS**  -134.398.2129.9-58.5-176.8000107H132I130-H132 HydrophobicContact CG2-CB 4.25Å
131F40.8Very low43.2Very low197 Ų197158.7 Ų158.786%0.86480%0.798SS**  trans-78.9125.6149.5-88.6-91.4000106.4
132H41.4Very low43.4Very low157 Ų157155.7 Ų155.773%0.72779%0.794SS**  trans-121.399162.7-122.7-62.5000108.1I130 V134I130-H132 HydrophobicContact CG2-CB 4.25Å; H132-V134 PolarHBondContact O-N 2.91Å
133I43.9Very low43.6Very low136 Ų136151.2 Ų151.270%0.69779%0.788SS**  trans-62.7124158-60.9171.3000105.6N135I133-N135 WeakPolarHBondContact CG2-OD1 3.3Å
134V47.5Very low43.9Very low120 Ų120146 Ų14673%0.72778%0.779SS**  trans-118.3106.2163.7178.50000104.7H132 I136H132-V134 PolarHBondContact O-N 2.91Å; V134-I136 PolarHBondContact O-N 3.17Å
135N42.3Very low43.8Very low133 Ų133145.1 Ų145.171%0.71178%0.775SS**  trans-57.7138.8171.6-71.5-0.7000108.4I133 P137I133-N135 WeakPolarHBondContact CG2-OD1 3.3Å; N135-P137 VanDerWaalsContact O-CD 3.26Å; N135-P137 WeakPolarHBondContact O-CD 3.34Å
136I41.2Very low43.5Very low159 Ų159143.1 Ų143.182%0.81578%0.776SS**  trans-77.9114.6167.7-60.2169.8000106.7V134V134-I136 PolarHBondContact O-N 3.17Å
137P47.4Very low43.5Very low103 Ų103141.1 Ų141.167%0.66977%0.766SS**  trans-81.7126.7164.320-4.2000108N135N135-P137 VanDerWaalsContact O-CD 3.26Å; N135-P137 WeakPolarHBondContact O-CD 3.34Å
138S42.4Very low44.1Very low121 Ų121141.7 Ų141.785%0.84676%0.761SS**  trans-10965.4173.4-176.50000109.6
139E46.7Very low44.1Very low182 Ų182141.1 Ų141.185%0.8576%0.755SS**  trans-118.2136.3168.5-65.7168.5-130.500105.9
140G43.1Very low44.1Very low57 Ų57139.9 Ų139.959%0.58875%0.754SS**  cis126.389.210.100000108.2
141D42.7Very low44.2Very low152 Ų152138.7 Ų138.781%0.81375%0.749SS**  trans65.3155.5174.4-37.8-34.9000113.9
142E45.4Very low44.5Very low164 Ų164134.7 Ų134.777%0.76674%0.743SS**  cis-156172.4-22.5-114.7172.9170.800107
143D42Very low44.4Very low148 Ų148132.3 Ų132.379%0.79174%0.74SS**  trans66.1121.7158-63.9-16.4000124.7
144D46.7Very low43.9Very low139 Ų139130 Ų13074%0.74373%0.734SS**  trans79.2162.9136.8-146.85.3000122
145F44.8Very low43.4Very low182 Ų182129.5 Ų129.580%0.79873%0.725SS**  trans77.986.9172.7-62.5-80.6000120.7
146G39.9Very low43.1Very low78 Ų78132.4 Ų132.480%0.80473%0.727SS**  85.5102.8109.600000119.9
147N37.1Very low43Very low123 Ų123131.4 Ų131.466%0.65872%0.719SS**  trans-93.5135171.3170.659.4000113.7
148P59.4Low42.6Very low109 Ų109133.3 Ų133.371%0.70872%0.723SS**  trans-106.7115.6151.834-22.3000110.1
149Y43.4Very low42.6Very low182 Ų182132.9 Ų132.971%0.71471%0.711SS**  48.213168.7-69.6-77.6000112.9
150D41.7Very low42.2Very low148 Ų148131.2 Ų131.279%0.79171%0.708SS**  cis-137.5160.625.9-95.8-57.1000116.3
151N48.1Very low42.2Very low122 Ų122135.3 Ų135.365%0.65271%0.709SS**  trans-87.2175.6166.9-161.311.8000110.3T153N151-T153 PolarHBondContact ND2-N 3.15Å; N151-T153 PolarHBondContact OD1-N 3.36Å
152P47.7Very low42Very low114 Ų114135.6 Ų135.674%0.7471%0.711SS**  -138.9130.998.813.89000113.8
153T38.3Very low41.6Very low107 Ų107131 Ų13166%0.65671%0.708SS**  82.4134.976.6-62.30000112.6N151N151-T153 PolarHBondContact ND2-N 3.15Å; N151-T153 PolarHBondContact OD1-N 3.36Å
154C33.7Very low41.2Very low86 Ų86134.4 Ų134.458%0.58172%0.716SS**  cis-169.2-177.1-18.5-98.10000106.1
155Q37.9Very low40.8Very low111 Ų111132.3 Ų132.352%0.51971%0.713SS.*  cis-107.8-134-4.7-66.776.8-108.100108E157Q155-E157 WeakPolarHBondContact CA-OE1 3.36Å; Q155-E157 VanDerWaalsContact CB-OE1 3.28Å; Q155-E157 WeakPolarHBondContact CB-OE1 3.38Å
156Y35.1Very low40.4Very low193 Ų193132.4 Ų132.476%0.75772%0.716SS**  cis-148.8143.8-3.3-93.1-54.4000107
157E39.3Very low40.4Very low139 Ų139134.7 Ų134.765%0.6571%0.714SS**  cis78.21239.8-46.4146.3-106.800114.6Q155Q155-E157 WeakPolarHBondContact CA-OE1 3.36Å; Q155-E157 VanDerWaalsContact CB-OE1 3.28Å; Q155-E157 WeakPolarHBondContact CB-OE1 3.38Å
158D40.3Very low40.4Very low142 Ų142133.4 Ų133.476%0.75972%0.72SS**  cis-167.7-179.9-6-171.422.5000111.3
159L41.3Very low39.3Very low113 Ų113136.4 Ų136.459%0.59272%0.724SS**  trans79.4144.4163.3-54.9173.4000117.1K161L159-K161 HydrophobicContact CD2-CD 4.45Å
160N38.1Very low39.3Very low147 Ų147134.6 Ų134.679%0.78673%0.732SS**  cis-145-176.145.2-1604.2000115.1
161K43.4Very low39.2Very low142 Ų142135 Ų13562%0.61773%0.729SS**  trans-116.2-175-153.1-65.6147.8175.6154.10114.9L159L159-K161 HydrophobicContact CD2-CD 4.45Å
162N37.8Very low39Very low158 Ų158139 Ų13985%0.84574%0.741SS**  trans97.4122.8167.2-47.7-26000114.6
163G37.5Very low38.4Very low69 Ų69141.3 Ų141.371%0.71175%0.747SS**  cis129.6123.1-11.900000114.4
164F34.9Very low38.5Very low219 Ų219139.2 Ų139.296%0.96175%0.747SS**  trans-165.9165158-122.1-83.2000110.7
165S36.5Very low38.8Very low95 Ų95143.1 Ų143.166%0.66476%0.756SS**  trans-146.8174.9-171.757.90000113.8
166E37.7Very low38.9Very low184 Ų184144.4 Ų144.486%0.8676%0.76SS**  trans69.5154.2-179.5-91.4177.3118.400114.7
167V39.3Very low39.2Very low126 Ų126142.7 Ų142.776%0.76476%0.759SS**  cis-147.6138.932175.10000113.4
168A37.7Very low39.7Very low96 Ų96143.1 Ų143.179%0.79377%0.766SS**  trans59.7153.1150.800000125.1
169E35.1Very low39.6Very low171 Ų171144.3 Ų144.380%0.79977%0.767SS**  trans-91.9156.9176.2-51.3159.997.800113.4
170V44.7Very low39.4Very low144 Ų144149.1 Ų149.187%0.87378%0.777SS**  trans-141.8123.8156.1-178.50000110.7
171Q38.5Very low39.4Very low158 Ų158149 Ų14974%0.73877%0.772SS**  trans-89.7148.7174-62.6173.7-11.300112.5
172K44.7Very low39Very low205 Ų205153.5 Ų153.589%0.89179%0.785SS**  trans-168.5161.9148.7-107.7150.1-170.9171.40112.9
173N34.1Very low39.1Very low163 Ų163154 Ų15487%0.87278%0.78SS**  trans-121.9156-159.1-50-14.6000113.7
174G41.4Very low39Very low63 Ų63156.9 Ų156.965%0.64978%0.784SS**  trans-174.6123.6160.600000107.4
175E39.8Very low39.8Very low167 Ų167151.9 Ų151.978%0.7877%0.773SS**  60.4122.872.4-65.3-161.1-165.400112.4
176K39.6Very low39.8Very low138 Ų138154.7 Ų154.760%0.678%0.781SS**  cis-157.7175.112.3-116.4178.5178.793.70112.2
177E42.1Very low40.2Very low158 Ų158152.2 Ų152.274%0.73878%0.778SS**  trans7.4137.9152-66.9128.6-153.200118.8
178D48.6Very low40.1Very low148 Ų148153.9 Ų153.979%0.79178%0.782SS**  -159.9166.372.7-135-18000115.6
179E39.6Very low40Very low166 Ų166152.9 Ų152.978%0.77678%0.782SS**  trans-93.1145.6-175.4-60.7-179.997.500115.7
180R37.2Very low40.2Very low214 Ų214150 Ų15081%0.80879%0.787SS**  trans-159.9114.5134.8-131.5139.9-73.7-136.71.5115
181Q37.9Very low39.8Very low145 Ų145146.5 Ų146.568%0.67878%0.78SS**  trans-103127.7171.7176.1177.210400109.8
182W33.5Very low39.9Very low236 Ų236147.4 Ų147.489%0.89479%0.789SS**  trans-106.1149.2167-79.659.3000110.2
183K41.1Very low39.5Very low169 Ų169146 Ų14674%0.73579%0.786SS**  trans-142.3137-161.8-129.6162-175.61570110.2
184T35.7Very low39.9Very low130 Ų130146.5 Ų146.580%0.79879%0.787SS**  trans-71143174.143.70000111.3
185P50.3Low39.8Very low113 Ų113152.2 Ų152.273%0.73480%0.797SS**  trans-105.2109.917034.5-26.4000111.8
186D37.2Very low39.7Very low155 Ų155150 Ų15083%0.82980%0.8SS**  trans-70130.6161.4-76.1-49.5000110.2
187V46.5Very low40.5Very low132 Ų132149.3 Ų149.380%0.881%0.809SS**  trans-136115.2169-171.20000110.1
188N37.6Very low40.6Very low160 Ų160147.5 Ų147.586%0.85681%0.811SS**  trans-84.4139.5177.1-71.5-89.3000111.1
189G35.8Very low40.1Very low76 Ų76146.4 Ų146.478%0.78481%0.812SS**  trans175.8128.7169.400000114.3
190A39.1Very low40Very low109 Ų109147.1 Ų147.190%0.90182%0.82SS**  trans-42.6151.4-178.900000116.3
191G35.3Very low39.9Very low71 Ų71141.3 Ų141.373%0.73281%0.812SS**  cis120.3124.77.600000112.1
192L41.3Very low39.9Very low177 Ų177143.3 Ų143.393%0.92782%0.819SS**  trans-167.6148165.8-109.7166.6000109.3
193E36.9Very low40.2Very low176 Ų176137.5 Ų137.582%0.82281%0.809SS**  trans-98.3157.9-173.5-57.9162.314000111.9
194I40.9Very low40.1Very low173 Ų173136 Ų13689%0.88781%0.81SS**  trans-164.2145.4143.8-101.2149.6000109
195E40.4Very low40.4Very low184 Ų184138.9 Ų138.986%0.8681%0.813SS**  trans-91.6164.8-160.6-58170.2109.700115
196S37Very low39.9Very low121 Ų121140.4 Ų140.485%0.84682%0.815SS**  trans-117.2129.4169.5-620000111.4
197P56.2Low40.5Very low122 Ų122141.2 Ų141.279%0.79281%0.814SS**PPolyproline II helixtrans-97.8152.817335.1-31000113.6
198P44Very low40.2Very low120 Ų120141.6 Ų141.678%0.77981%0.812SS**PPolyproline II helixtrans-92.6166.8-170.437.1-37.8000115.3
199P38.1Very low40.5Very low125 Ų125141.9 Ų141.981%0.81281%0.808SS**PPolyproline II helixtrans-82.2156.8-176.133.3-37000115.1
200L38.8Very low40.7Very low182 Ų182145.3 Ų145.395%0.95381%0.807SS**  trans-137.4167.7171.2-79.8175.4000111.4
201S34.7Very low40.8Very low91 Ų91146.9 Ų146.964%0.63680%0.8SS**  trans-132.1159.5-151.972.10000116.4
202K37.9Very low41Very low188 Ų188150.6 Ų150.682%0.81780%0.801SS**  trans91.4156.8148.2-70.6166.8-178.2170.30121.3
203T40.6Very low41Very low114 Ų114148.8 Ų148.870%0.69979%0.793SS**  trans83.288.4152.136.50000120.3
204D37.9Very low41Very low138 Ų138147 Ų14774%0.73879%0.788SS**  49.9110.1111.8-40.3-13.7000120.3
205H43.2Very low40.9Very low189 Ų189148.7 Ų148.788%0.87578%0.783SS**  -158.9133124.5-122.461.1000113.6
206D38.4Very low40.7Very low145 Ų145149.1 Ų149.178%0.77578%0.782SS**  trans-73.8152.7164.3-61.4-68.1000111.2
207Q50.8Low40.7Very low173 Ų173147 Ų14781%0.80878%0.78SS**  -164.6121.6123.7-173.253.960.500111
208N39.1Very low39.8Very low139 Ų139147.3 Ų147.374%0.74378%0.775SS**  trans-72.3135.2172.1-76.9-32.4000111.9
209Q43.5Very low39.8Very low167 Ų167151.7 Ų151.778%0.7878%0.776SS**  trans-151.8113.9155.4-168.694.772.400108.4
210I41.1Very low40Very low147 Ų147154 Ų15475%0.75477%0.773SS**  trans-97.1109.4177.5-58.9172000108.6I212I210-I212 HydrophobicContact CG2-CG1 4.18Å
211D41Very low40Very low142 Ų142151.8 Ų151.876%0.75976%0.761SS**  trans-107.7115167.6-86.1-45000110.1D213D211-D213 PolarHBondContact O-N 3.08Å
212I38.8Very low40.2Very low149 Ų149155.1 Ų155.176%0.76477%0.767SS**  trans-8691.9177.8-56.3175.7000109I210 L214I210-I212 HydrophobicContact CG2-CG1 4.18Å; I212-L214 HydrophobicContact CG2-CD1 3.99Å
213D42.6Very low40.3Very low139 Ų139151 Ų15174%0.74376%0.762SS**  trans-115.4109.8179.3-157.3-3.5000114D211 R215D211-D213 PolarHBondContact O-N 3.08Å; D213-R215 PolarHBondContact O-N 3.13Å; D213-R215 VanDerWaalsContact O-N 3.15Å
214L36.1Very low40.6Very low140 Ų140149.8 Ų149.873%0.73376%0.758SS**  trans-80.684.9179.6-81.770.4000111.8I212I212-L214 HydrophobicContact CG2-CD1 3.99Å
215R38.2Very low40.9Very low207 Ų207149.3 Ų149.378%0.78176%0.755SS**  trans-157.5122.6159.3-95.3117.6-155.2-128.58.4118D213D213-R215 PolarHBondContact O-N 3.13Å; D213-R215 VanDerWaalsContact O-N 3.15Å
216K36.4Very low40.7Very low193 Ų193146.3 Ų146.384%0.83975%0.75SS**  trans51.488.3130.7-57.2178179.7177.40120.1
217G36.5Very low40.8Very low77 Ų77144.8 Ų144.879%0.79475%0.75SS**  98.4-172.787.800000122.1
218N38.1Very low40.4Very low129 Ų129141.7 Ų141.769%0.6975%0.748SS**  trans91.1111.3160.2-81.4-32.7000122.6
219R44.5Very low40.4Very low211 Ų211139.8 Ų139.880%0.79675%0.745SS**  trans93.2148.3145.7-60.2164.3-68.3-140.8-0.3115.8
220K41Very low40.4Very low175 Ų175136.1 Ų136.176%0.76174%0.738SS**  cis-157.1125.819.8-147.6162-176.7-175.60115.4
221L40.1Very low40.2Very low134 Ų134140.3 Ų140.370%0.70275%0.745SS**  trans50.5154.6143.2-55.5177.3000121.1
222H38.8Very low40.1Very low161 Ų161138.8 Ų138.875%0.74575%0.745SS**  cis-127.2144.57.2-68.1102.7000109.9
223S38.7Very low39.9Very low103 Ų103139.9 Ų139.972%0.7275%0.752SS**  59.6125.882-137.40000114.4
224S47.8Very low39.7Very low87 Ų87141.4 Ų141.461%0.60876%0.758SS**  cis-170.2-166.9-8.335.80000107.3
225D43.2Very low39.6Very low129 Ų129142.6 Ų142.669%0.6976%0.764SS**  cis-155125.717.1-86.1-71.6000108.4
226V41.1Very low40Very low126 Ų126137.7 Ų137.776%0.76476%0.759SS**  112.4142.989.8-69.30000115.9
227S40.4Very low40.1Very low112 Ų112138.1 Ų138.178%0.78376%0.764SS**  trans68.4146.1165.5-104.40000119.2
228S40.5Very low39.9Very low108 Ų108142.7 Ų142.776%0.75576%0.762SS**  cis179.1152.9-17.2-96.70000107
229S41.1Very low39.9Very low99 Ų99144.5 Ų144.569%0.69277%0.768SS**  cis-168.8152.1-8.8176.60000109.8
230S41.6Very low39.2Very low90 Ų90139.7 Ų139.763%0.62976%0.762SS**  trans67.3114153.9-65.60000119.4
231R38.6Very low39Very low236 Ų236138.4 Ų138.489%0.89176%0.762SS**  84.3145.681.3-81.8172.1161-172.9-6.6113.6
232S37.4Very low38.8Very low110 Ų110138.7 Ų138.777%0.76976%0.764SS**  cis-157.7161.13.636.20000112.7
233L35.6Very low39.1Very low172 Ų172136.3 Ų136.390%0.90176%0.764SS**  trans-78141.4180-57166.6000113.6
234I37.4Very low38.7Very low170 Ų170136 Ų13687%0.87277%0.767SS**  trans-141.4147.4151.7-60.4-173.7000108.4
235L34.6Very low38.1Very low165 Ų165136.2 Ų136.286%0.86477%0.774SS**  trans-98.6173.9-173.8-87.6161.9000112.6
236P45.8Very low37.6Very low105 Ų105138.3 Ų138.368%0.68278%0.783SS**  trans-98170.8-147.439.4-39.1000115.4
237H40.2Very low37.2Very low201 Ų201136.2 Ų136.293%0.93179%0.787SS**  trans-144.6177154.4-118-94.2000112.5
238K32.7Very low37Very low173 Ų173134.9 Ų134.975%0.75279%0.792SS**  trans-109166.9-155.8-173.8178.9177.2177.60113.1
239M36.6Very low36.7Very low168 Ų168134.3 Ų134.383%0.82879%0.793SS**  trans89.3154.3167.9-55.8-179.8179.800116.8
240T31.2Very low36.3Very low109 Ų109133.9 Ų133.967%0.66980%0.796SS**  cis175.7135.3-35.7-92.40000107.9
241I36.7Very low36Very low148 Ų148135.5 Ų135.576%0.75980%0.802SS**  trans67.9145.5166.7-80.9165.7000114.6
242D35.8Very low36Very low140 Ų140132.7 Ų132.775%0.74980%0.804SS**  cis-148.2175.92.5-124.7-1.2000111.3
243P43.5Very low35.9Very low112 Ų112132.6 Ų132.673%0.72780%0.798SS**  trans-101.3-177.5-174.740.2-36.4000116.2
244A32Very low35.9Very low96 Ų96132.4 Ų132.479%0.79379%0.793SS**  trans89.1104.3161.400000120.9
245A34.2Very low35.9Very low92 Ų92129 Ų12976%0.7678%0.784SS**  trans-167.8112.4144.800000107.4
246I33.8Very low36Very low172 Ų172129.7 Ų129.788%0.88278%0.783SS**  74.3113.568.8-62.6168.8000113.7
247G31.5Very low35.2Very low82 Ų82132.6 Ų132.685%0.84579%0.791SS**  trans101.5130.7153.100000117.4
248G36Very low35.1Very low85 Ų85131.7 Ų131.788%0.87679%0.785SS**  trans156.262.6174.700000114.6
249A34.2Very low35.2Very low95 Ų95130.7 Ų130.779%0.78578%0.783SS**  trans-77.4161.5-171.300000115.3
250A32.9Very low35.4Very low90 Ų90130.4 Ų130.474%0.74478%0.779SS**  trans69.4152.115000000118.3
251T35.4Very low35.7Very low124 Ų124130.8 Ų130.876%0.76178%0.784SS**  cis-168.3138.3-14.223.70000108.1
252L38.6Very low35.5Very low177 Ų177128.1 Ų128.193%0.92778%0.783SS**  trans-159.5157.7134.9-156.856.2000109.8
253V35.5Very low35.2Very low109 Ų109129.7 Ų129.766%0.66179%0.786SS**  trans-140.8168.9-164.7-1650000110.2
254E34.7Very low34.6Very low167 Ų167133.2 Ų133.278%0.7879%0.792SS**  trans82.396.2157-128.270.8-108.600118.4
255S38.2Very low34.7Very low98 Ų98133.9 Ų133.969%0.68580%0.798SS**  171.4153.5106.852.30000113.8
256H35.7Very low34.7Very low181 Ų181133.6 Ų133.684%0.83880%0.796SS**  trans80.3101.8175.7-62.485.2000118.2
257L30.8Very low34.7Very low165 Ų165129.5 Ų129.586%0.86478%0.783SS**  trans-161.287.2167.8-145179.4000113.1
258K37.3Very low34.7Very low182 Ų182133 Ų13379%0.79178%0.782SS**  trans-166150.9154.7-140.873.3-173.3177.80115
259E35.1Very low34.7Very low152 Ų152138 Ų13871%0.7178%0.783SS**  trans81.983.5156.4-51.5-146.3177.400122
260H40.2Very low34.8Very low162 Ų162138.7 Ų138.775%0.7578%0.776SS**  86.8149.2122.2-70.8-64.7000121.4
261P38Very low34.7Very low118 Ų118140.6 Ų140.677%0.76678%0.778SS**  trans-132.4140.6-148.637.7-18.2000116.2
262A32.3Very low34.4Very low91 Ų91145.2 Ų145.275%0.75278%0.782SS**  trans-155115.6161.700000112.5
263E29.1Very low34.2Very low174 Ų174142.3 Ų142.381%0.81378%0.777SS**  trans62.8165.5144.7-57-177.3-17900120.2
264H32Very low34.5Very low185 Ų185147.3 Ų147.386%0.85679%0.79SS**  trans60.375.5179.9-53.1-70.5000118.2
265A32.8Very low34.4Very low110 Ų110150.4 Ų150.491%0.90979%0.794SS**  trans-112.2125.5152.300000109.3
266A35.1Very low34.4Very low86 Ų86154.9 Ų154.971%0.71181%0.806SS**  trans-113.2147.9-174.300000112.6
267S33.5Very low34.5Very low87 Ų87155.8 Ų155.861%0.60881%0.808SS**  trans56.377.1160.5-173.50000118.2C670S267-C670 WeakPolarHBondContact CB-SG 3.44Å
268D32.3Very low34.7Very low154 Ų154155.5 Ų155.582%0.82480%0.802SS**  trans-149.380.5145.6-141.6-8.4000110.7V270D268-V270 PolarHBondContact O-N 3.28Å
269Q34.8Very low34.3Very low192 Ų192150.1 Ų150.190%0.89780%0.799SS**  trans-94.887.7-179.6-77.9-155.113.600112.5V271Q269-V271 PolarHBondContact O-N 3.47Å
270V36.4Very low34.1Very low108 Ų108149.6 Ų149.666%0.65580%0.801SS**  trans-62.6123164.1177.20000109.8D268 W272D268-V270 PolarHBondContact O-N 3.28Å; V270-W272 PolarHBondContact O-N 3.05Å
271V31.7Very low33.9Very low130 Ų130145.2 Ų145.279%0.78880%0.8SS**  trans-71.996-174.3-179.30000111.7Q269 S273Q269-V271 PolarHBondContact O-N 3.47Å; V271-S273 PolarHBondContact O-N 3.09Å
272W29Very low34.1Very low221 Ų221148.7 Ų148.784%0.83780%0.803SS**  trans-76.1115.8175-74.5-17.3000112.6V270 K274V270-W272 PolarHBondContact O-N 3.05Å; W272-K274 PolarHBondContact O-N 3.19Å
273S34.5Very low34.6Very low116 Ų116152 Ų15281%0.81180%0.8SS**  trans-71.6115.3-175.4-71.10000113.1V271 R275V271-S273 PolarHBondContact O-N 3.09Å; S273-R275 PolarHBondContact O-N 2.88Å
274K39.9Very low35.8Very low215 Ų215149 Ų14994%0.93579%0.79SS**  trans-79.6100.1178.1-171.1176.9-177.1178.70111.6W272W272-K274 PolarHBondContact O-N 3.19Å
275R34Very low37.3Very low231 Ų231145.3 Ų145.387%0.87278%0.775SS**  trans-118.7105.2175.4-172.3-162-64.1-176.81.5111.3S273S273-R275 PolarHBondContact O-N 2.88Å
276M38.6Very low39.2Very low192 Ų192144.9 Ų144.995%0.94675%0.753SS**  trans-167.2163.8150.6-107.5165.5-163.800110.8
277F36.7Very low41.4Very low200 Ų200141.3 Ų141.388%0.87772%0.722SS**  trans-66.2143.5-169.1-97-135.9000114.1
278E34.8Very low43.7Very low159 Ų159139.7 Ų139.774%0.74371%0.71SS**  -175130.6103.4-96177.6161.100113.3
279G29Very low45.6Very low69 Ų69132.7 Ų132.771%0.71167%0.673SS**SBendtrans39.280.5156.700000122.7
280N31.1Very low47.6Very low142 Ų142128.1 Ų128.176%0.75966%0.66SS**  trans-174.9107.3142.3-104.3-50.6000112.5
281G35.8Very low49.6Very low70 Ų70126.4 Ų126.472%0.72266%0.664SS**  trans-109.8-14.2-167.500000118.6K283G281-K283 PolarHBondContact O-N 3.43Å
282F42.1Very low52.1Low191 Ų191120.8 Ų120.884%0.83863%0.63SS**  trans-97.541.7-173.3-73.8-74.2000113.9I285F282-I285 HydrophobicContact CD1-CD1 4.41Å
283K42.9Very low54.8Low160 Ų160113.7 Ų113.770%0.69661%0.608SS**SBendtrans-110.1114.6174-61.5-179.1-177.2-178.40107.2G281G281-K283 PolarHBondContact O-N 3.43Å
284D54.7Low57.1Low110 Ų110108.1 Ų108.159%0.58857%0.57SS**  trans52.998.8-166.7-61.6-5.3000115.2K286D284-K286 HydrophobicContact CB-CD 3.99Å; D284-K286 PolarHBondContact O-N 3.09Å; D284-K286 IonicContact OD2-NZ 2.92Å; D284-K286 PolarHBondContact OD2-NZ 2.97Å
285I62.7Low59.2Low109 Ų109100.9 Ų100.956%0.55955%0.546SS*.  trans-7379.5159.9-55.1177000107.3F282F282-I285 HydrophobicContact CD1-CD1 4.41Å
286K74Confident61.5Low101 Ų10191.3 Ų91.344%0.43952%0.519SS..  trans-73.8166.7-176.3-126.7138.8-166.6154.70111.5D284 D293D284-K286 HydrophobicContact CB-CD 3.99Å; D284-K286 PolarHBondContact O-N 3.09Å; D284-K286 IonicContact OD2-NZ 2.92Å; D284-K286 PolarHBondContact OD2-NZ 2.97Å; K286-D293 WeakPolarHBondContact CE-O 3.45Å; K286-D293 VanDerWaalsContact CG-O 3.26Å; K286-D293 WeakPolarHBondContact CG-O 3.48Å
287C81.2Confident64Low10 Ų1084.2 Ų84.27%0.06848%0.484CS..  trans-61.9131.2179.2-174.20000110.5T289 C292 H305C287-T289 PolarHBondContact O-N 3.38Å; C287-T289 PolarHBondContact SG-OG1 2.69Å; C287-C292 HydrophobicContact CB-CB 3.96Å; C287-H305 VanDerWaalsContact CB-NE2 3.29Å; C287-H305 WeakPolarHBondContact CB-NE2 3.26Å; C287-H305 PolarHBondContact SG-CD2 3Å; C287-H305 PolarHBondContact SG-NE2 2.97Å
288P80.9Confident66.4Low53 Ų5377.4 Ų77.434%0.34446%0.461SS..SBendtrans-76.63.8-179.832.9-38.7000114.1P290 L308 H325P288-P290 WeakPolarHBondContact O-CD 3.36Å; P288-L308 HydrophobicContact CG-CD2 4.18Å; P288-L308 HydrophobicContact CG-CG 4.41Å; P288-H325 VanDerWaalsContact CB-NE2 3.3Å; P288-H325 WeakPolarHBondContact CB-NE2 3.45Å; P288-H325 WeakPolarHBondContact CG-NE2 3.41Å
289T73.3Confident68.7Low7 Ų773.5 Ų73.54%0.04345%0.448CS..SBendtrans-74.5121.6164.9-51.90000109.5C287 G291 C292 L308 C311 R313 A317C287-T289 PolarHBondContact O-N 3.38Å; C287-T289 PolarHBondContact SG-OG1 2.69Å; T289-G291 PolarHBondContact O-N 3.25Å; T289-C292 HydrophobicContact CG2-CB 4.37Å; T289-C292 VanDerWaalsContact O-CB 3.28Å; T289-C292 WeakPolarHBondContact O-CB 3.27Å; T289-C292 PolarHBondContact O-N 3.47Å; T289-L308 WeakPolarHBondContact OG1-CD2 3.21Å; T289-C311 PolarHBondContact OG1-SG 3.42Å; T289-R313 HydrophobicContact CG2-CB 4.47Å; T289-A317 HydrophobicContact CG2-CB 4.38Å
290P77.3Confident71.3Confident97 Ų9773.3 Ų73.363%0.6345%0.446SS*.THydrogen-bonded Turntrans-52.9135.1177.7-28.236.2000112.9P288 C292 V321P288-P290 WeakPolarHBondContact O-CD 3.36Å; P290-C292 PolarHBondContact O-N 3.1Å; P290-V321 HydrophobicContact CG-CG2 3.94Å
291G77.2Confident73.8Confident71 Ų7173.4 Ų73.473%0.73245%0.446SS*.THydrogen-bonded Turntrans72.30.8-177.900000115.5T289 R313T289-G291 PolarHBondContact O-N 3.25Å; G291-R313 PolarHBondContact O-NH1 2.93Å
292C85Confident76Confident12 Ų1276.9 Ų76.98%0.08144%0.438CS..  trans-87.8129172.8-165.70000111.1C287 T289 P290 H305C287-C292 HydrophobicContact CB-CB 3.96Å; T289-C292 HydrophobicContact CG2-CB 4.37Å; T289-C292 VanDerWaalsContact O-CB 3.28Å; T289-C292 WeakPolarHBondContact O-CB 3.27Å; T289-C292 PolarHBondContact O-N 3.47Å; P290-C292 PolarHBondContact O-N 3.1Å; C292-H305 PolarHBondContact SG-CE1 3.31Å; C292-H305 PolarHBondContact SG-NE2 3.39Å
293D84.4Confident78.1Confident72 Ų7274.1 Ų74.139%0.38544%0.437SS..  trans-83.4-10.5-176.262.7-27.1000113.7K286 S295K286-D293 WeakPolarHBondContact CE-O 3.45Å; K286-D293 VanDerWaalsContact CG-O 3.26Å; K286-D293 WeakPolarHBondContact CG-O 3.48Å; D293-S295 VanDerWaalsContact CG-OG 3.28Å; D293-S295 PolarHBondContact OD1-N 3.38Å; D293-S295 WeakPolarHBondContact OD2-CB 3.35Å; D293-S295 PolarHBondContact OD2-OG 2.98Å
294G83.9Confident80.3Confident0 Ų070.2 Ų70.20%042%0.421CS..SBendtrans90-1.5-174.600000114.3H304 H305G294-H304 CarbonylContact O-C 3.5Å; G294-H304 VanDerWaalsContact O-CA 3.23Å; G294-H304 WeakPolarHBondContact O-CA 3.43Å; G294-H304 PolarHBondContact O-ND1 3.22Å; G294-H305 VanDerWaalsContact C-CE1 3.41Å; G294-H305 PolarHBondContact O-N 2.89Å; G294-H305 PolarHBondContact O-ND1 3.47Å; G294-H305 VanDerWaalsContact O-ND1 3.12Å
295S84.7Confident81.9Confident63 Ų6365.2 Ų65.244%0.44139%0.394SS..BIsolated β-bridgetrans-74.5149.2-179.4-59.50000112.8D293 H305D293-S295 VanDerWaalsContact CG-OG 3.28Å; D293-S295 PolarHBondContact OD1-N 3.38Å; D293-S295 WeakPolarHBondContact OD2-CB 3.35Å; D293-S295 PolarHBondContact OD2-OG 2.98Å; S295-H305 PolarHBondContact O-CE1 3.36Å; S295-H305 PolarHBondContact O-ND1 3.16Å; S295-H305 VanDerWaalsContact O-ND1 3.17Å
296G81.7Confident83Confident29 Ų2968 Ų6830%0.29940%0.398SS..SBendtrans65.2-170.7-176.400000113.5Y302 T303 H304 H305G296-Y302 CarbonylContact C-O 3.07Å; G296-Y302 WeakPolarHBondContact CA-O 3.49Å; G296-T303 PolarHBondContact N-O 2.97Å; G296-H304 CarbonylContact O-C 3.09Å; G296-H304 WeakPolarHBondContact O-CA 3.25Å; G296-H305 PolarHBondContact O-N 3.38Å; G296-H305 VanDerWaalsContact O-N 3.1Å; G296-H305 PolarHBondContact O-ND1 3.12Å
297H90.8Very high83.3Confident44 Ų4465.5 Ų65.520%0.20439%0.393CS..  trans-148.6152.2174.7-167-95.8000109.8T299 G300 Y302 G310H297-T299 PolarHBondContact ND1-N 3.32Å; H297-T299 PolarHBondContact ND1-OG1 3.36Å; H297-T299 PolarHBondContact O-N 3.21Å; H297-G300 PolarHBondContact O-N 2.85Å; H297-Y302 HydrophobicContact CB-CD2 4.29Å; H297-Y302 WeakPolarHBondContact CB-O 3.27Å; H297-Y302 AromaticContact CG-CD2 3.87Å; H297-Y302 PolarHBondContact N-O 3.45Å; H297-Y302 VanDerWaalsContact N-O 3.14Å; H297-Y302 AromaticContact ND1-CD2 3.79Å; H297-G310 CarbonylContact C-O 3.43Å; H297-G310 VanDerWaalsContact CA-O 3.24Å; H297-G310 WeakPolarHBondContact CA-O 3.48Å; H297-G310 VanDerWaalsContact NE2-CA 3.27Å; H297-G310 WeakPolarHBondContact NE2-CA 3.39Å
298S86.5Confident83.2Confident57 Ų5765.9 Ų65.940%0.39939%0.394SS..THydrogen-bonded Turntrans-55.9-18.8178.252.10000114.3S309 G310S298-S309 PolarHBondContact OG-O 3.47Å; S298-G310 PolarHBondContact N-O 3.22Å; S298-G310 WeakPolarHBondContact OG-CA 3.11Å
299T84.6Confident83.1Confident76 Ų7667.8 Ų67.847%0.46641%0.409SS..THydrogen-bonded Turntrans-105.65.6179.666.50000113.8H297 L301H297-T299 PolarHBondContact ND1-N 3.32Å; H297-T299 PolarHBondContact ND1-OG1 3.36Å; H297-T299 PolarHBondContact O-N 3.21Å; T299-L301 PolarHBondContact O-N 2.62Å
300G82.6Confident83.3Confident66 Ų6667.4 Ų67.468%0.6841%0.407SS*.SBendtrans69.7-37.5-17500000115.8H297 Y302H297-G300 PolarHBondContact O-N 2.85Å; G300-Y302 PolarHBondContact O-N 3.26Å
301L83.3Confident83.7Confident143 Ų14362.9 Ų62.975%0.74938%0.377SS*.SBendtrans-58.2-10.7-173.9-75.5148.3000117.2T299T299-L301 PolarHBondContact O-N 2.62Å
302Y82.8Confident84Confident144 Ų14462.5 Ų62.557%0.56536%0.362SS*.  trans-134.6140-177.9-53.3-84.1000111.5G296 H297 G300 H304G296-Y302 CarbonylContact C-O 3.07Å; G296-Y302 WeakPolarHBondContact CA-O 3.49Å; H297-Y302 HydrophobicContact CB-CD2 4.29Å; H297-Y302 WeakPolarHBondContact CB-O 3.27Å; H297-Y302 AromaticContact CG-CD2 3.87Å; H297-Y302 PolarHBondContact N-O 3.45Å; H297-Y302 VanDerWaalsContact N-O 3.14Å; H297-Y302 AromaticContact ND1-CD2 3.79Å; G300-Y302 PolarHBondContact O-N 3.26Å; Y302-H304 VanDerWaalsContact C-N 3.27Å; Y302-H304 PolarHBondContact O-N 3.33Å
303T85.7Confident83.6Confident132 Ų13267.5 Ų67.581%0.8138%0.379SS*.SBendtrans-75-11.4-178.452.40000114.2G296G296-T303 PolarHBondContact N-O 2.97Å
304H88.6Confident83.1Confident78 Ų7869 Ų6936%0.36138%0.382SS..BIsolated β-bridgetrans-151.8141.6-176.4-169.7-38.6000111.6G294 G296 Y302G294-H304 CarbonylContact O-C 3.5Å; G294-H304 VanDerWaalsContact O-CA 3.23Å; G294-H304 WeakPolarHBondContact O-CA 3.43Å; G294-H304 PolarHBondContact O-ND1 3.22Å; G296-H304 CarbonylContact O-C 3.09Å; G296-H304 WeakPolarHBondContact O-CA 3.25Å; Y302-H304 VanDerWaalsContact C-N 3.27Å; Y302-H304 PolarHBondContact O-N 3.33Å
305H89.2Confident82.3Confident5 Ų574.9 Ų74.92%0.02341%0.413CS..  trans-126.5158.3172.467.4-79.4000112.1C287 C292 G294 S295 G296 G310 C311 P312C287-H305 VanDerWaalsContact CB-NE2 3.29Å; C287-H305 WeakPolarHBondContact CB-NE2 3.26Å; C287-H305 PolarHBondContact SG-CD2 3Å; C287-H305 PolarHBondContact SG-NE2 2.97Å; C292-H305 PolarHBondContact SG-CE1 3.31Å; C292-H305 PolarHBondContact SG-NE2 3.39Å; G294-H305 VanDerWaalsContact C-CE1 3.41Å; G294-H305 PolarHBondContact O-N 2.89Å; G294-H305 PolarHBondContact O-ND1 3.47Å; G294-H305 VanDerWaalsContact O-ND1 3.12Å; S295-H305 PolarHBondContact O-CE1 3.36Å; S295-H305 PolarHBondContact O-ND1 3.16Å; S295-H305 VanDerWaalsContact O-ND1 3.17Å; G296-H305 PolarHBondContact O-N 3.38Å; G296-H305 VanDerWaalsContact O-N 3.1Å; G296-H305 PolarHBondContact O-ND1 3.12Å; H305-G310 WeakPolarHBondContact CB-O 3.48Å; H305-C311 VanDerWaalsContact CD2-CA 3.41Å; H305-C311 WeakPolarHBondContact CD2-CA 3.48Å; H305-C311 PolarHBondContact NE2-SG 3.4Å; H305-P312 WeakPolarHBondContact CE1-CD 3.05Å
306R85.4Confident81.4Confident167 Ų16780.1 Ų80.163%0.6343%0.428SS*.  trans-133.29.8-174.8-58.6-177.3-177.4179.2-0.8113.9
307S81.2Confident80.4Confident49 Ų4979.5 Ų79.534%0.34342%0.42SS..SBendtrans-154.7159.1-172.155.90000110.4S309 G310 C311S307-S309 PolarHBondContact O-N 3.03Å; S307-S309 PolarHBondContact OG-OG 3.18Å; S307-G310 PolarHBondContact O-N 3.47Å; S307-G310 VanDerWaalsContact O-N 3.1Å; S307-C311 PolarHBondContact O-N 3.31Å
308L77.8Confident79Confident19 Ų1979.7 Ų79.710%0.09943%0.426CS..G310 helixtrans-58.2-32.5177.3-59.8-173.1000113.4P288 T289 G310 C311 L322 H325P288-L308 HydrophobicContact CG-CD2 4.18Å; P288-L308 HydrophobicContact CG-CG 4.41Å; T289-L308 WeakPolarHBondContact OG1-CD2 3.21Å; L308-G310 PolarHBondContact O-N 3.15Å; L308-C311 WeakPolarHBondContact O-CB 3.39Å; L308-C311 PolarHBondContact O-N 3.11Å; L308-C311 VanDerWaalsContact O-N 3.1Å; L308-L322 HydrophobicContact CD1-CD2 3.93Å; L308-H325 HydrophobicContact CD1-CB 4.2Å; L308-H325 WeakPolarHBondContact CD1-CD2 3.34Å; L308-H325 VanDerWaalsContact CG-CD2 3.43Å; L308-H325 WeakPolarHBondContact CG-CD2 3.18Å; L308-H325 WeakPolarHBondContact CG-NE2 3.34Å
309S78.3Confident78Confident92 Ų9282.2 Ų82.264%0.64344%0.441SS*.G310 helixtrans-60.1-34.6177.956.90000112.7S298 S307S298-S309 PolarHBondContact OG-O 3.47Å; S307-S309 PolarHBondContact O-N 3.03Å; S307-S309 PolarHBondContact OG-OG 3.18Å
310G78.2Confident76.9Confident0 Ų085.6 Ų85.60%045%0.452CS..G310 helixtrans-940.2176.400000114.3H297 S298 H305 S307 L308 P312H297-G310 CarbonylContact C-O 3.43Å; H297-G310 VanDerWaalsContact CA-O 3.24Å; H297-G310 WeakPolarHBondContact CA-O 3.48Å; H297-G310 VanDerWaalsContact NE2-CA 3.27Å; H297-G310 WeakPolarHBondContact NE2-CA 3.39Å; S298-G310 PolarHBondContact N-O 3.22Å; S298-G310 WeakPolarHBondContact OG-CA 3.11Å; H305-G310 WeakPolarHBondContact CB-O 3.48Å; S307-G310 PolarHBondContact O-N 3.47Å; S307-G310 VanDerWaalsContact O-N 3.1Å; L308-G310 PolarHBondContact O-N 3.15Å; G310-P312 WeakPolarHBondContact O-CD 3.5Å
311C85.8Confident76Confident1 Ų183.2 Ų83.21%0.00742%0.424CS..  trans-83.2120.3-170.2-173.10000112.2T289 H305 S307 L308 R313 K314T289-C311 PolarHBondContact OG1-SG 3.42Å; H305-C311 VanDerWaalsContact CD2-CA 3.41Å; H305-C311 WeakPolarHBondContact CD2-CA 3.48Å; H305-C311 PolarHBondContact NE2-SG 3.4Å; S307-C311 PolarHBondContact O-N 3.31Å; L308-C311 WeakPolarHBondContact O-CB 3.39Å; L308-C311 PolarHBondContact O-N 3.11Å; L308-C311 VanDerWaalsContact O-N 3.1Å; C311-R313 PolarHBondContact O-N 3.04Å; C311-R313 VanDerWaalsContact O-N 3.1Å; C311-R313 PolarHBondContact SG-N 2.92Å; C311-K314 HydrophobicContact CB-CB 4.29Å; C311-K314 WeakPolarHBondContact O-CB 3.39Å; C311-K314 PolarHBondContact O-N 3.42Å; C311-K314 VanDerWaalsContact O-N 3.09Å
312P82.9Confident75Confident64 Ų6480.3 Ų80.342%0.41641%0.409SS..THydrogen-bonded Turntrans-71.61.217332-34.7000113.1H305 G310H305-P312 WeakPolarHBondContact CE1-CD 3.05Å; G310-P312 WeakPolarHBondContact O-CD 3.5Å
313R77.3Confident74Confident117 Ų11775.8 Ų75.844%0.44240%0.401SS..THydrogen-bonded Turntrans-114.210.9171.9-54.2-173.2-171.7167.67.2113T289 G291 C311 D315 K316T289-R313 HydrophobicContact CG2-CB 4.47Å; G291-R313 PolarHBondContact O-NH1 2.93Å; C311-R313 PolarHBondContact O-N 3.04Å; C311-R313 VanDerWaalsContact O-N 3.1Å; C311-R313 PolarHBondContact SG-N 2.92Å; R313-D315 PolarHBondContact O-N 2.97Å; R313-D315 VanDerWaalsContact O-N 3.14Å; R313-K316 PolarHBondContact O-N 3.26Å
314K74.3Confident72.8Confident102 Ų10274.6 Ų74.644%0.44339%0.389SS..G310 helixtrans-47-43.4-179.3176.4-168.3168.9-142.20112.2C311 K316 A317C311-K314 HydrophobicContact CB-CB 4.29Å; C311-K314 WeakPolarHBondContact O-CB 3.39Å; C311-K314 PolarHBondContact O-N 3.42Å; C311-K314 VanDerWaalsContact O-N 3.09Å; K314-K316 PolarHBondContact O-N 3.03Å; K314-K316 VanDerWaalsContact O-N 3.16Å; K314-A317 VanDerWaalsContact O-CB 3.27Å; K314-A317 WeakPolarHBondContact O-CB 3.44Å; K314-A317 PolarHBondContact O-N 3.41Å
315D67.7Low71.4Confident124 Ų12472.5 Ų72.566%0.66338%0.38SS*.G310 helixtrans-80.85.2-172.4-29.4-65.9000113.1R313R313-D315 PolarHBondContact O-N 2.97Å; R313-D315 VanDerWaalsContact O-N 3.14Å
316K64.9Low70.1Confident174 Ų17478.9 Ų78.976%0.75741%0.41SS*.G310 helixtrans-113.22.4168.9-72.171.5167.8176.50111.9R313 K314R313-K316 PolarHBondContact O-N 3.26Å; K314-K316 PolarHBondContact O-N 3.03Å; K314-K316 VanDerWaalsContact O-N 3.16Å
317A60.9Low68.7Low15 Ų1577.4 Ų77.412%0.12441%0.41CS..SBendtrans-70.3133173.300000110T289 K314 V321T289-A317 HydrophobicContact CG2-CB 4.38Å; K314-A317 VanDerWaalsContact O-CB 3.27Å; K314-A317 WeakPolarHBondContact O-CB 3.44Å; K314-A317 PolarHBondContact O-N 3.41Å; A317-V321 HydrophobicContact CB-CB 4.34Å; A317-V321 HydrophobicContact CB-CG1 4.17Å
318S61.7Low67.7Low48 Ų4878.3 Ų78.334%0.33642%0.42SS..  trans-67.7157.2179.366.90000111.6E320 V321 L322S318-E320 PolarHBondContact O-N 3.23Å; S318-E320 VanDerWaalsContact O-N 3.15Å; S318-V321 WeakPolarHBondContact O-CB 3.3Å; S318-V321 PolarHBondContact O-N 3.33Å; S318-V321 WeakPolarHBondContact OG-CG2 3.4Å; S318-V321 PolarHBondContact OG-N 2.81Å; S318-L322 PolarHBondContact O-N 2.92Å; S318-L322 VanDerWaalsContact O-N 3.1Å
319P64.8Low66.7Low110 Ų11081.9 Ų81.971%0.71444%0.438SS*.Hα-helixtrans-54.8-31.2173.4-27.135.9000113.4L322 A323P319-L322 PolarHBondContact O-N 3.04Å; P319-A323 WeakPolarHBondContact O-CB 3.47Å; P319-A323 PolarHBondContact O-N 3.2Å
320E62.3Low65.8Low148 Ų14882.6 Ų82.669%0.69244%0.435SS*.Hα-helixtrans-65.6-41174.6-176.3178.3-148.400112.6S318 L322 A323 L324S318-E320 PolarHBondContact O-N 3.23Å; S318-E320 VanDerWaalsContact O-N 3.15Å; E320-L322 VanDerWaalsContact C-N 3.35Å; E320-A323 PolarHBondContact O-N 3.09Å; E320-L324 PolarHBondContact O-N 2.99Å
321V62.3Low65.5Low15 Ų1589.8 Ų89.89%0.09146%0.462CS..Hα-helixtrans-63.7-42.3171.5174.30000110.1P290 A317 S318 L324 H325P290-V321 HydrophobicContact CG-CG2 3.94Å; A317-V321 HydrophobicContact CB-CB 4.34Å; A317-V321 HydrophobicContact CB-CG1 4.17Å; S318-V321 WeakPolarHBondContact O-CB 3.3Å; S318-V321 PolarHBondContact O-N 3.33Å; S318-V321 WeakPolarHBondContact OG-CG2 3.4Å; S318-V321 PolarHBondContact OG-N 2.81Å; V321-L324 PolarHBondContact O-N 2.8Å; V321-H325 PolarHBondContact O-N 3.18Å; V321-H325 PolarHBondContact O-ND1 3.13Å
322L62.1Low65.5Low83 Ų8390.2 Ų90.244%0.43546%0.464SS..Hα-helixtrans-63.9-40.1177.3-70.1167.1000112.5L308 S318 P319 E320 H325 Q326L308-L322 HydrophobicContact CD1-CD2 3.93Å; S318-L322 PolarHBondContact O-N 2.92Å; S318-L322 VanDerWaalsContact O-N 3.1Å; P319-L322 PolarHBondContact O-N 3.04Å; E320-L322 VanDerWaalsContact C-N 3.35Å; L322-H325 PolarHBondContact O-N 3.18Å; L322-Q326 PolarHBondContact O-N 3.11Å
323A62.9Low65.6Low48 Ų4891.6 Ų91.640%0.39747%0.473SS..Hα-helixtrans-62.2-48.1174.700000111.9P319 E320 H325 Q326 E327P319-A323 WeakPolarHBondContact O-CB 3.47Å; P319-A323 PolarHBondContact O-N 3.2Å; E320-A323 PolarHBondContact O-N 3.09Å; A323-H325 PolarHBondContact O-N 3.12Å; A323-H325 VanDerWaalsContact O-N 3.12Å; A323-Q326 PolarHBondContact O-N 3.11Å; A323-E327 PolarHBondContact O-N 2.87Å; A323-E327 VanDerWaalsContact O-N 3.1Å
324L61.2Low65.9Low107 Ų10787.1 Ų87.156%0.5646%0.459SS*.Hα-helixtrans-54.7-31.6174.3-84164.1000112.7E320 V321 A328E320-L324 PolarHBondContact O-N 2.99Å; V321-L324 PolarHBondContact O-N 2.8Å; L324-A328 WeakPolarHBondContact O-CB 3.32Å; L324-A328 PolarHBondContact O-N 3.41Å
325H58.5Low66.4Low34 Ų3489.2 Ų89.216%0.15748%0.48CS..Hα-helixtrans-76.3-35.3177.7-75.560.8000113.3P288 L308 V321 L322 A323 E327 I329P288-H325 VanDerWaalsContact CB-NE2 3.3Å; P288-H325 WeakPolarHBondContact CB-NE2 3.45Å; P288-H325 WeakPolarHBondContact CG-NE2 3.41Å; L308-H325 HydrophobicContact CD1-CB 4.2Å; L308-H325 WeakPolarHBondContact CD1-CD2 3.34Å; L308-H325 VanDerWaalsContact CG-CD2 3.43Å; L308-H325 WeakPolarHBondContact CG-CD2 3.18Å; L308-H325 WeakPolarHBondContact CG-NE2 3.34Å; V321-H325 PolarHBondContact O-N 3.18Å; V321-H325 PolarHBondContact O-ND1 3.13Å; L322-H325 PolarHBondContact O-N 3.18Å; A323-H325 PolarHBondContact O-N 3.12Å; A323-H325 VanDerWaalsContact O-N 3.12Å; H325-E327 VanDerWaalsContact C-N 3.33Å; H325-I329 HydrophobicContact CB-CD1 4.23Å; H325-I329 WeakPolarHBondContact CD2-CD1 3.42Å; H325-I329 WeakPolarHBondContact O-CB 3.35Å; H325-I329 PolarHBondContact O-N 3.48Å
326Q61.2Low67.1Low140 Ų14086.7 Ų86.765%0.65448%0.484SS*.Hα-helixtrans-67.7-35.9174.2-70-178.7-12.300111.4L322 A323 L330L322-Q326 PolarHBondContact O-N 3.11Å; A323-Q326 PolarHBondContact O-N 3.11Å; Q326-L330 WeakPolarHBondContact O-CB 3.49Å; Q326-L330 WeakPolarHBondContact O-CD1 3.45Å
327E57Low68.3Low135 Ų13579.1 Ų79.163%0.63145%0.453SS*.Hα-helixtrans-82.2-42.3-180-61.5-163.2159.100113.8A323 H325A323-E327 PolarHBondContact O-N 2.87Å; A323-E327 VanDerWaalsContact O-N 3.1Å; H325-E327 VanDerWaalsContact C-N 3.33Å
328A58.6Low69.5Low68 Ų6883.4 Ų83.456%0.56248%0.477SS*.Hα-helixtrans-92.5-16.2-171.600000115.6L324L324-A328 WeakPolarHBondContact O-CB 3.32Å; L324-A328 PolarHBondContact O-N 3.41Å
329I56.9Low70.6Confident94 Ų9481.4 Ų81.448%0.48246%0.464SS..Hα-helixtrans-111.8-21.3-174.5-52.5-175.1000112.9H325H325-I329 HydrophobicContact CB-CD1 4.23Å; H325-I329 WeakPolarHBondContact CD2-CD1 3.42Å; H325-I329 WeakPolarHBondContact O-CB 3.35Å; H325-I329 PolarHBondContact O-N 3.48Å
330L60.9Low71.7Confident108 Ų10883.6 Ų83.657%0.56546%0.463SS*.SBendtrans-81.7-17.3173.4-63.9179.6000113.4Q326Q326-L330 WeakPolarHBondContact O-CB 3.49Å; Q326-L330 WeakPolarHBondContact O-CD1 3.45Å
331R71Confident72.8Confident151 Ų15178 Ų7857%0.5745%0.445SS*.SBendtrans-114.2158.7-178.3-66.9178.3179.8150.32.9111.4
332C85.9Confident74.2Confident9 Ų979.5 Ų79.56%0.06145%0.451CS..  trans-72139.8175.5-175.90000110.9T334 C337 H350 S352 C356C332-T334 PolarHBondContact O-N 2.89Å; C332-T334 PolarHBondContact SG-OG1 2.97Å; C332-C337 HydrophobicContact CB-CB 4.12Å; C332-H350 WeakPolarHBondContact CB-NE2 3.08Å; C332-S352 VanDerWaalsContact SG-C 3.55Å; C332-S352 PolarHBondContact SG-O 2.84Å; C332-C356 VanDerWaalsContact SG-CB 3.55Å
333P84.9Confident75.5Confident93 Ų9378.5 Ų78.560%0.60445%0.448SS*.SBendtrans-63.7-6.4174.3-23.633.9000115.7V335 V353P333-V335 PolarHBondContact O-N 3.24Å; P333-V353 HydrophobicContact CB-CG2 3.85Å; P333-V353 HydrophobicContact CG-CG2 4.05Å
334T83.8Confident76.6Confident23 Ų2380.5 Ų80.514%0.14145%0.452CS..SBendtrans-73119.5176.2-59.30000110.5C332 G336 C337 L358 A359C332-T334 PolarHBondContact O-N 2.89Å; C332-T334 PolarHBondContact SG-OG1 2.97Å; T334-G336 PolarHBondContact O-N 3.18Å; T334-C337 HydrophobicContact CG2-CB 4.31Å; T334-C337 WeakPolarHBondContact O-CB 3.48Å; T334-C337 PolarHBondContact O-N 3.43Å; T334-L358 HydrophobicContact CG2-CB 4.05Å; T334-A359 HydrophobicContact CG2-CB 4.45Å
335V85.2Confident77.6Confident146 Ų14681.9 Ų81.989%0.88547%0.47SS*.THydrogen-bonded Turntrans-52.1132.7178.6-177.80000110.8P333 C337P333-V335 PolarHBondContact O-N 3.24Å; V335-C337 VanDerWaalsContact C-N 3.26Å; V335-C337 PolarHBondContact O-N 3.45Å
336G82.8Confident78.7Confident72 Ų7287.7 Ų87.774%0.74250%0.503SS*.THydrogen-bonded Turntrans76.80.7-177.200000115.4T334T334-G336 PolarHBondContact O-N 3.18Å
337C88.6Confident79.9Confident15 Ų1588.6 Ų88.610%0.10150%0.5CS..  trans-86.5132.6-178.1-160.60000113.8C332 T334 V335 H350 C356 L358C332-C337 HydrophobicContact CB-CB 4.12Å; T334-C337 HydrophobicContact CG2-CB 4.31Å; T334-C337 WeakPolarHBondContact O-CB 3.48Å; T334-C337 PolarHBondContact O-N 3.43Å; V335-C337 VanDerWaalsContact C-N 3.26Å; V335-C337 PolarHBondContact O-N 3.45Å; C337-H350 PolarHBondContact SG-CE1 3.12Å; C337-H350 PolarHBondContact SG-NE2 2.81Å; C337-C356 PolarHBondContact SG-SG 2.94Å; C337-L358 HydrophobicContact CB-CD1 3.9Å
338T86.3Confident81.3Confident104 Ų10489.4 Ų89.464%0.63850%0.503SS*.  trans-912.7-178.158.20000114.4K340T338-K340 PolarHBondContact O-N 3.27Å
339G85.5Confident82.7Confident7 Ų789 Ų897%0.07249%0.494CS..SBendtrans72.1-1.5-175.400000115.2T349 H350G339-T349 CarbonylContact O-C 3.2Å; G339-T349 VanDerWaalsContact O-CA 3.25Å; G339-T349 WeakPolarHBondContact O-CA 3.18Å; G339-H350 PolarHBondContact O-N 3.44Å; G339-H350 PolarHBondContact O-ND1 3.13Å
340K87.3Confident84.3Confident156 Ų15684.9 Ų84.968%0.67847%0.473SS*.BIsolated β-bridgetrans-80.1151.5175.3-64.3-176.2178.1-177.80111.7T338 H350T338-K340 PolarHBondContact O-N 3.27Å; K340-H350 PolarHBondContact O-CE1 3.5Å; K340-H350 VanDerWaalsContact O-CE1 3.25Å; K340-H350 PolarHBondContact O-ND1 3.29Å
341G85.1Confident85.6Confident30 Ų3088.4 Ų88.431%0.30948%0.478SS..SBendtrans70.7178.5-17400000113.4H348 T349 H350G341-H348 WeakPolarHBondContact CA-O 3.47Å; G341-H348 PolarHBondContact N-O 2.84Å; G341-T349 CarbonylContact O-C 3.47Å; G341-T349 VanDerWaalsContact O-C 3.22Å; G341-T349 WeakPolarHBondContact O-CA 3.47Å; G341-H350 PolarHBondContact O-N 3.43Å; G341-H350 PolarHBondContact O-ND1 3.11Å
342H93.2Very high86.4Confident47 Ų4783.4 Ų83.422%0.21847%0.467CS..  trans-152.2162.6171-162.1-87.7000109.3N344 R347 T349 G355H342-N344 PolarHBondContact CE1-OD1 2.84Å; H342-N344 PolarHBondContact ND1-N 2.95Å; H342-N344 PolarHBondContact ND1-OD1 2.93Å; H342-N344 PolarHBondContact O-N 3.38Å; H342-N344 VanDerWaalsContact O-N 3.13Å; H342-R347 HydrophobicContact CB-CB 3.89Å; H342-R347 WeakPolarHBondContact CB-O 3.24Å; H342-T349 PolarHBondContact CD2-O 3.25Å; H342-G355 CarbonylContact C-O 3.15Å; H342-G355 VanDerWaalsContact CA-O 3.25Å; H342-G355 WeakPolarHBondContact CA-O 3.36Å
343V87.8Confident86.4Confident62 Ų6285.9 Ų85.938%0.37648%0.482SS..SBendtrans-69.10.1170.9-57.90000114.1S354 G355 C356 A360V343-S354 WeakPolarHBondContact CG2-O 3.37Å; V343-G355 PolarHBondContact N-O 2.93Å; V343-C356 VanDerWaalsContact CG1-O 3.29Å; V343-C356 WeakPolarHBondContact CG1-O 3.36Å; V343-A360 HydrophobicContact CG1-CB 3.59Å
344N86.9Confident86.5Confident90 Ų9086 Ų8648%0.48148%0.484SS..SBendtrans-127.5132.6175.7-53.693.4000107.5H342 N346 R347H342-N344 PolarHBondContact CE1-OD1 2.84Å; H342-N344 PolarHBondContact ND1-N 2.95Å; H342-N344 PolarHBondContact ND1-OD1 2.93Å; H342-N344 PolarHBondContact O-N 3.38Å; H342-N344 VanDerWaalsContact O-N 3.13Å; N344-N346 PolarHBondContact O-N 3.18Å; N344-R347 PolarHBondContact O-N 2.86Å
345S82.4Confident86.7Confident135 Ų13584.9 Ų84.994%0.94448%0.478SS*.THydrogen-bonded Turntrans-55-25.3175.848.30000113.6R347S345-R347 PolarHBondContact O-N 3.18Å; S345-R347 VanDerWaalsContact O-N 3.17Å
346N82.2Confident87Confident157 Ų15778 Ų7884%0.8444%0.436SS*.THydrogen-bonded Turntrans-758.4-179.3-145.8109.2000114.8N344N344-N346 PolarHBondContact O-N 3.18Å
347R85.5Confident87.4Confident159 Ų15976.5 Ų76.560%0.641%0.413SS*.  trans-149.7136.2175-160.7-177.4-69-96.71.4112.5H342 N344 S345 T349H342-R347 HydrophobicContact CB-CB 3.89Å; H342-R347 WeakPolarHBondContact CB-O 3.24Å; N344-R347 PolarHBondContact O-N 2.86Å; S345-R347 PolarHBondContact O-N 3.18Å; S345-R347 VanDerWaalsContact O-N 3.17Å; R347-T349 WeakPolarHBondContact CD-O 3.22Å; R347-T349 VanDerWaalsContact CG-O 3.31Å; R347-T349 WeakPolarHBondContact CG-O 3.22Å
348H86.8Confident87.4Confident151 Ų15179.7 Ų79.770%0.69943%0.429SS*.SBendtrans-94.3-3.3-176.667.892.8000114.7G341G341-H348 WeakPolarHBondContact CA-O 3.47Å; G341-H348 PolarHBondContact N-O 2.84Å
349T88.7Confident87.6Confident59 Ų5974.8 Ų74.836%0.36240%0.399SS..BIsolated β-bridgetrans-145.9154.1-179.642.50000111.5G339 G341 H342 R347G339-T349 CarbonylContact O-C 3.2Å; G339-T349 VanDerWaalsContact O-CA 3.25Å; G339-T349 WeakPolarHBondContact O-CA 3.18Å; G341-T349 CarbonylContact O-C 3.47Å; G341-T349 VanDerWaalsContact O-C 3.22Å; G341-T349 WeakPolarHBondContact O-CA 3.47Å; H342-T349 PolarHBondContact CD2-O 3.25Å; R347-T349 WeakPolarHBondContact CD-O 3.22Å; R347-T349 VanDerWaalsContact CG-O 3.31Å; R347-T349 WeakPolarHBondContact CG-O 3.22Å
350H89.5Confident87.8Confident8 Ų875.9 Ų75.94%0.03741%0.407CS..  trans-142.3157.1176.468-81.1000111.6C332 C337 G339 K340 G341 G355 C356C332-H350 WeakPolarHBondContact CB-NE2 3.08Å; C337-H350 PolarHBondContact SG-CE1 3.12Å; C337-H350 PolarHBondContact SG-NE2 2.81Å; G339-H350 PolarHBondContact O-N 3.44Å; G339-H350 PolarHBondContact O-ND1 3.13Å; K340-H350 PolarHBondContact O-CE1 3.5Å; K340-H350 VanDerWaalsContact O-CE1 3.25Å; K340-H350 PolarHBondContact O-ND1 3.29Å; G341-H350 PolarHBondContact O-N 3.43Å; G341-H350 PolarHBondContact O-ND1 3.11Å; H350-G355 WeakPolarHBondContact CB-O 3.45Å; H350-C356 VanDerWaalsContact CD2-CA 3.42Å; H350-C356 WeakPolarHBondContact CD2-CA 3.37Å; H350-C356 WeakPolarHBondContact NE2-CB 3.31Å; H350-C356 PolarHBondContact NE2-SG 3.36Å
351R89Confident87.8Confident182 Ų18272.8 Ų72.869%0.68740%0.398SS*.  trans-126.2-4.5178.8-58.4179.8-171.4168.51.1113.6
352S87.4Confident87.8Confident47 Ų4775.2 Ų75.233%0.32940%0.401SS..SBendtrans-126.8155.3-174.164.20000111.9C332 S354 G355 C356C332-S352 VanDerWaalsContact SG-C 3.55Å; C332-S352 PolarHBondContact SG-O 2.84Å; S352-S354 PolarHBondContact O-N 3.38Å; S352-S354 VanDerWaalsContact O-N 3.16Å; S352-S354 PolarHBondContact OG-OG 3.39Å; S352-G355 PolarHBondContact O-N 2.82Å; S352-G355 PolarHBondContact OG-N 2.91Å; S352-C356 PolarHBondContact O-N 2.97Å
353V86.1Confident87.5Confident61 Ų6178.4 Ų78.437%0.3741%0.414SS..THydrogen-bonded Turntrans-61.7-20173-1720000112.2P333 A359P333-V353 HydrophobicContact CB-CG2 3.85Å; P333-V353 HydrophobicContact CG-CG2 4.05Å; V353-A359 HydrophobicContact CG1-CB 3.69Å
354S87.4Confident87.3Confident94 Ų9480.8 Ų80.866%0.65742%0.421SS*.THydrogen-bonded Turntrans-77.4-32.4171.751.60000113.6V343 S352V343-S354 WeakPolarHBondContact CG2-O 3.37Å; S352-S354 PolarHBondContact O-N 3.38Å; S352-S354 VanDerWaalsContact O-N 3.16Å; S352-S354 PolarHBondContact OG-OG 3.39Å
355G87.3Confident87.3Confident1 Ų182.6 Ų82.61%0.0143%0.427CS..THydrogen-bonded Turntrans-88.2-6.7177.300000114.4H342 V343 H350 S352H342-G355 CarbonylContact C-O 3.15Å; H342-G355 VanDerWaalsContact CA-O 3.25Å; H342-G355 WeakPolarHBondContact CA-O 3.36Å; V343-G355 PolarHBondContact N-O 2.93Å; H350-G355 WeakPolarHBondContact CB-O 3.45Å; S352-G355 PolarHBondContact O-N 2.82Å; S352-G355 PolarHBondContact OG-N 2.91Å
356C92.3Very high87.3Confident0 Ų084 Ų840%041%0.412CS..  trans-84.3123.1-168.5-174.20000114C332 C337 V343 H350 S352 L358 A359 A360C332-C356 VanDerWaalsContact SG-CB 3.55Å; C337-C356 PolarHBondContact SG-SG 2.94Å; V343-C356 VanDerWaalsContact CG1-O 3.29Å; V343-C356 WeakPolarHBondContact CG1-O 3.36Å; H350-C356 VanDerWaalsContact CD2-CA 3.42Å; H350-C356 WeakPolarHBondContact CD2-CA 3.37Å; H350-C356 WeakPolarHBondContact NE2-CB 3.31Å; H350-C356 PolarHBondContact NE2-SG 3.36Å; S352-C356 PolarHBondContact O-N 2.97Å; C356-L358 VanDerWaalsContact C-N 3.33Å; C356-L358 PolarHBondContact O-N 3.18Å; C356-A359 HydrophobicContact CB-CB 3.85Å; C356-A359 PolarHBondContact O-N 3.02Å; C356-A360 PolarHBondContact O-N 2.93Å
357P90.6Very high87Confident42 Ų4284.1 Ų84.127%0.27340%0.404SS..Hα-helixtrans-64.7-35.3177.526.2-32.9000112.5A360 L361P357-A360 PolarHBondContact O-N 3.26Å; P357-L361 WeakPolarHBondContact O-CG 3.48Å; P357-L361 PolarHBondContact O-N 2.99Å
358L88.3Confident86.3Confident81 Ų8182.6 Ų82.642%0.42441%0.407SS..Hα-helixtrans-64.9-43.8176.6-60.1179000111.6T334 C337 C356 A360 L361 E362T334-L358 HydrophobicContact CG2-CB 4.05Å; C337-L358 HydrophobicContact CB-CD1 3.9Å; C356-L358 VanDerWaalsContact C-N 3.33Å; C356-L358 PolarHBondContact O-N 3.18Å; L358-A360 VanDerWaalsContact C-N 3.31Å; L358-A360 PolarHBondContact O-N 3.41Å; L358-L361 PolarHBondContact O-N 3.33Å; L358-E362 PolarHBondContact O-N 2.92Å
359A89.5Confident85.2Confident2 Ų279.7 Ų79.72%0.01740%0.404CS..Hα-helixtrans-69.9-26.817700000113.2T334 V353 C356 K363T334-A359 HydrophobicContact CG2-CB 4.45Å; V353-A359 HydrophobicContact CG1-CB 3.69Å; C356-A359 HydrophobicContact CB-CB 3.85Å; C356-A359 PolarHBondContact O-N 3.02Å; A359-K363 WeakPolarHBondContact O-CB 3.4Å; A359-K363 WeakPolarHBondContact O-CD 3.39Å; A359-K363 VanDerWaalsContact O-CG 3.23Å; A359-K363 WeakPolarHBondContact O-CG 3.34Å; A359-K363 PolarHBondContact O-N 2.95Å
360A90.2Very high83.8Confident29 Ų2985.7 Ų85.724%0.2443%0.425CS..Hα-helixtrans-71-44.2171.700000111.7V343 C356 P357 L358 K363 Q364V343-A360 HydrophobicContact CG1-CB 3.59Å; C356-A360 PolarHBondContact O-N 2.93Å; P357-A360 PolarHBondContact O-N 3.26Å; L358-A360 VanDerWaalsContact C-N 3.31Å; L358-A360 PolarHBondContact O-N 3.41Å; A360-K363 PolarHBondContact O-N 3.38Å; A360-Q364 WeakPolarHBondContact O-CG 3.35Å; A360-Q364 PolarHBondContact O-N 3.39Å
361L87.6Confident82.2Confident92 Ų9289.3 Ų89.348%0.48246%0.457SS..Hα-helixtrans-60.4-44.7174.5-74.2166.1000111.7P357 L358 K363 Q364 Q365P357-L361 WeakPolarHBondContact O-CG 3.48Å; P357-L361 PolarHBondContact O-N 2.99Å; L358-L361 PolarHBondContact O-N 3.33Å; L361-K363 VanDerWaalsContact C-N 3.32Å; L361-K363 PolarHBondContact O-N 3.25Å; L361-Q364 PolarHBondContact O-N 3.5Å; L361-Q364 VanDerWaalsContact O-N 3.1Å; L361-Q365 WeakPolarHBondContact O-CG 3.37Å; L361-Q365 PolarHBondContact O-N 2.91Å
362E86.2Confident80.4Confident81 Ų8184.1 Ų84.138%0.37945%0.448SS..Hα-helixtrans-60.1-41.7175.7-162.5-156.5149.400111.6L358 Q364 Q365 R366L358-E362 PolarHBondContact O-N 2.92Å; E362-Q364 VanDerWaalsContact C-N 3.34Å; E362-Q364 PolarHBondContact O-N 2.89Å; E362-Q365 PolarHBondContact O-N 2.87Å; E362-R366 WeakPolarHBondContact O-CB 3.31Å; E362-R366 VanDerWaalsContact O-CG 3.28Å; E362-R366 WeakPolarHBondContact O-CG 3.44Å; E362-R366 PolarHBondContact O-N 2.91Å; E362-R366 IonicContact OE1-CZ 3.68Å; E362-R366 IonicContact OE1-NE 3.68Å; E362-R366 PolarHBondContact OE1-NE 3.03Å; E362-R366 IonicContact OE1-NH2 2.72Å; E362-R366 PolarHBondContact OE1-NH2 3.48Å
363K86Confident78.2Confident113 Ų11385.5 Ų85.549%0.49147%0.47SS..Hα-helixtrans-67.1-30.9174.7-74.7169.9-177.8172.60113.1A359 A360 L361 K367A359-K363 WeakPolarHBondContact O-CB 3.4Å; A359-K363 WeakPolarHBondContact O-CD 3.39Å; A359-K363 VanDerWaalsContact O-CG 3.23Å; A359-K363 WeakPolarHBondContact O-CG 3.34Å; A359-K363 PolarHBondContact O-N 2.95Å; A360-K363 PolarHBondContact O-N 3.38Å; L361-K363 VanDerWaalsContact C-N 3.32Å; L361-K363 PolarHBondContact O-N 3.25Å; K363-K367 WeakPolarHBondContact O-CG 3Å; K363-K367 PolarHBondContact O-N 3.45Å
364Q83.5Confident76.2Confident112 Ų11289.7 Ų89.752%0.52349%0.486SS..Hα-helixtrans-72.7-44.5173.7-75.4172.5-3500111.2A360 L361 E362 R366 K367 L368A360-Q364 WeakPolarHBondContact O-CG 3.35Å; A360-Q364 PolarHBondContact O-N 3.39Å; L361-Q364 PolarHBondContact O-N 3.5Å; L361-Q364 VanDerWaalsContact O-N 3.1Å; E362-Q364 VanDerWaalsContact C-N 3.34Å; E362-Q364 PolarHBondContact O-N 2.89Å; Q364-R366 PolarHBondContact O-N 3.1Å; Q364-K367 WeakPolarHBondContact O-CB 3.27Å; Q364-K367 PolarHBondContact O-N 3.12Å; Q364-L368 WeakPolarHBondContact O-CG 3.38Å; Q364-L368 PolarHBondContact O-N 3.18Å
365Q86Confident73.7Confident128 Ų12892.4 Ų92.460%0.59849%0.493SS*.Hα-helixtrans-58.3-46.5174.4-72.7176-1800111.6L361 E362 K367 L368 S369L361-Q365 WeakPolarHBondContact O-CG 3.37Å; L361-Q365 PolarHBondContact O-N 2.91Å; E362-Q365 PolarHBondContact O-N 2.87Å; Q365-K367 PolarHBondContact O-N 2.97Å; Q365-L368 PolarHBondContact O-N 3.1Å; Q365-S369 WeakPolarHBondContact O-CB 3.47Å; Q365-S369 PolarHBondContact O-N 2.88Å; Q365-S369 PolarHBondContact O-OG 3.18Å
366R82.2Confident71.4Confident166 Ų16699 Ų9963%0.62653%0.526SS*.Hα-helixtrans-62.5-20.1174.8-71.7172.5180-103.19.2114.3E362 Q364E362-R366 WeakPolarHBondContact O-CB 3.31Å; E362-R366 VanDerWaalsContact O-CG 3.28Å; E362-R366 WeakPolarHBondContact O-CG 3.44Å; E362-R366 PolarHBondContact O-N 2.91Å; E362-R366 IonicContact OE1-CZ 3.68Å; E362-R366 IonicContact OE1-NE 3.68Å; E362-R366 PolarHBondContact OE1-NE 3.03Å; E362-R366 IonicContact OE1-NH2 2.72Å; E362-R366 PolarHBondContact OE1-NH2 3.48Å; Q364-R366 PolarHBondContact O-N 3.1Å
367K77.6Confident68.9Low158 Ų158109 Ų10969%0.68756%0.564SS**Hα-helixtrans-82.9-47.1171.1-76.8178.7175.9-166.90111.2K363 Q364 Q365 S369 K370 A371K363-K367 WeakPolarHBondContact O-CG 3Å; K363-K367 PolarHBondContact O-N 3.45Å; Q364-K367 WeakPolarHBondContact O-CB 3.27Å; Q364-K367 PolarHBondContact O-N 3.12Å; Q365-K367 PolarHBondContact O-N 2.97Å; K367-S369 VanDerWaalsContact C-N 3.33Å; K367-S369 PolarHBondContact O-N 3.05Å; K367-K370 CarbonylContact O-C 3.47Å; K367-K370 PolarHBondContact O-N 3.14Å; K367-A371 PolarHBondContact O-N 3.25Å
368L71Confident66.4Low127 Ų127113.3 Ų113.367%0.66559%0.592SS**Hα-helixtrans-59.2-43.7177.6-68.6168000111.6Q364 Q365 K370 A371 S372Q364-L368 WeakPolarHBondContact O-CG 3.38Å; Q364-L368 PolarHBondContact O-N 3.18Å; Q365-L368 PolarHBondContact O-N 3.1Å; L368-K370 PolarHBondContact O-N 3.45Å; L368-K370 VanDerWaalsContact O-N 3.13Å; L368-A371 PolarHBondContact O-N 3.17Å; L368-S372 PolarHBondContact O-N 2.72Å
369S63.8Low64.1Low91 Ų91114.5 Ų114.564%0.63661%0.607SS**Hα-helixtrans-70.3-2.2175.8750000114.7Q365 K367Q365-S369 WeakPolarHBondContact O-CB 3.47Å; Q365-S369 PolarHBondContact O-N 2.88Å; Q365-S369 PolarHBondContact O-OG 3.18Å; K367-S369 VanDerWaalsContact C-N 3.33Å; K367-S369 PolarHBondContact O-N 3.05Å
370K57.5Low61.7Low184 Ų184119 Ų11980%0.864%0.638SS**Hα-helixtrans-116.8-14.8174.9-167164.3-177.3175.70112.9K367 L368K367-K370 CarbonylContact O-C 3.47Å; K367-K370 PolarHBondContact O-N 3.14Å; L368-K370 PolarHBondContact O-N 3.45Å; L368-K370 VanDerWaalsContact O-N 3.13Å
371A57.4Low59.2Low85 Ų85124.2 Ų124.270%0.70267%0.668SS**Hα-helixtrans-85.1-33.6167.700000112.1K367 L368 G373K367-A371 PolarHBondContact O-N 3.25Å; L368-A371 PolarHBondContact O-N 3.17Å; A371-G373 PolarHBondContact O-N 2.83Å
372S50.9Low56.7Low72 Ų72123.5 Ų123.550%0.50368%0.682SS.*SBendtrans-75.4100.8169.1-174.90000110.2L368 Q374L368-S372 PolarHBondContact O-N 2.72Å; S372-Q374 PolarHBondContact O-N 3.43Å
373G41.1Very low54.7Low77 Ų77124.8 Ų124.879%0.79470%0.701SS**  trans-70.723.5-175.400000116.5A371 N375A371-G373 PolarHBondContact O-N 2.83Å; G373-N375 PolarHBondContact O-N 3.34Å
374Q44.7Very low52.3Low149 Ų149125.4 Ų125.470%0.69671%0.713SS**  trans-82.2101.9177.7-70.2-167.8-11.500111S372 I376S372-Q374 PolarHBondContact O-N 3.43Å; Q374-I376 HydrophobicContact CB-CD1 4.49Å; Q374-I376 HydrophobicContact CB-CG1 4.32Å; Q374-I376 PolarHBondContact O-N 2.91Å
375N34.8Very low50Low151 Ų151125.6 Ų125.681%0.80773%0.727SS**  trans-75.657.8-176.4-164.2-6.2000112.9G373 R377G373-N375 PolarHBondContact O-N 3.34Å; N375-R377 PolarHBondContact O-N 3.07Å; N375-R377 VanDerWaalsContact O-N 3.07Å
376I38.3Very low47.9Very low138 Ų138126.6 Ų126.671%0.70874%0.736SS**  trans-78.592.2178.7-55.1179.4000108.9Q374Q374-I376 HydrophobicContact CB-CD1 4.49Å; Q374-I376 HydrophobicContact CB-CG1 4.32Å; Q374-I376 PolarHBondContact O-N 2.91Å
377R39.2Very low45.9Very low210 Ų210126.8 Ų126.879%0.79275%0.749SS**  trans-54.1134.4167.9-77.3-178.3164.7-150.4-1.4110.2N375 S379N375-R377 PolarHBondContact O-N 3.07Å; N375-R377 VanDerWaalsContact O-N 3.07Å; R377-S379 VanDerWaalsContact C-N 3.26Å; R377-S379 PolarHBondContact O-N 3.16Å
378P39.2Very low43.8Very low133 Ų133122.3 Ų122.386%0.86475%0.748SS**  trans-72.283.6166.930.8-33.6000109.5S380P378-S380 PolarHBondContact O-N 3.21Å; P378-S380 VanDerWaalsContact O-N 3.12Å
379S39.6Very low42Very low106 Ų106127.5 Ų127.574%0.74176%0.76SS**  trans-71.2105.3175.4-167.50000110R377R377-S379 VanDerWaalsContact C-N 3.26Å; R377-S379 PolarHBondContact O-N 3.16Å
380S40.1Very low40.8Very low96 Ų96127.1 Ų127.167%0.67176%0.757SS**  trans-62143.9165.653.30000110.8P378P378-S380 PolarHBondContact O-N 3.21Å; P378-S380 VanDerWaalsContact O-N 3.12Å
381T37.1Very low39.8Very low140 Ų140126 Ų12686%0.85976%0.76SS**  trans67.8120177.269.20000115.8
382G35.6Very low38.6Very low76 Ų76125.2 Ų125.278%0.78476%0.76SS**  trans169.172.5-177.600000113.9
383S42.4Very low38.2Very low109 Ų109131.9 Ų131.976%0.76278%0.78SS**  trans28.5101.2165.2-162.90000119.1S385S383-S385 PolarHBondContact O-N 3.18Å
384V36.4Very low38Very low125 Ų125133.4 Ų133.476%0.75878%0.779SS**  trans-79.4110.8167.4-178.20000109.8L386V384-L386 HydrophobicContact CG1-CB 4.31Å; V384-L386 HydrophobicContact CG1-CD1 3.77Å; V384-L386 HydrophobicContact CG1-CG 3.82Å; V384-L386 PolarHBondContact O-N 2.76Å
385S35.8Very low37.8Very low116 Ų116132.1 Ų132.181%0.81178%0.783SS**  trans-91.591.4169.2-66.10000110.5S383S383-S385 PolarHBondContact O-N 3.18Å
386L41.2Very low37.9Very low149 Ų149133.7 Ų133.778%0.7878%0.783SS**  trans-113.3110.7170.9-86.3170.1000109.7V384V384-L386 HydrophobicContact CG1-CB 4.31Å; V384-L386 HydrophobicContact CG1-CD1 3.77Å; V384-L386 HydrophobicContact CG1-CG 3.82Å; V384-L386 PolarHBondContact O-N 2.76Å
387N39.8Very low37.8Very low171 Ų171134.1 Ų134.191%0.91479%0.787SS**  trans-120.3121.3175.2-99-2.6000110
388G34Very low37.8Very low63 Ų63132.2 Ų132.265%0.64979%0.79SS**  trans82.8141.8178.900000113.5
389Y34.4Very low37.5Very low237 Ų237132.7 Ų132.793%0.92979%0.786SS**  cis-132.5-179.42.3-107.8-92.9000112.6
390S37.9Very low37.6Very low83 Ų83136.7 Ų136.758%0.5879%0.792SS**  trans-112.7162.1-148.656.10000116.7
391N35.9Very low37.6Very low161 Ų161140.4 Ų140.486%0.86180%0.804SS**  trans70.4109.1153.4-61.7-19.4000119.8
392G32.8Very low37.5Very low68 Ų68144.5 Ų144.570%0.70180%0.804SS**  trans168.193.1149.200000118.8
393K42.3Very low37.3Very low211 Ų211152.7 Ų152.792%0.91781%0.811SS**  trans70.791.1149.4-56.3166.6-175.5172.40119.2
394S37.2Very low37Very low109 Ų109152.6 Ų152.676%0.76281%0.81SS**  trans51.2100.7134.4-1730000120.1
395P39.6Very low36.8Very low123 Ų123155 Ų15580%0.79982%0.819SS**  trans-86.6148.6169.735.4-33.5000113.5
396K37.8Very low36.8Very low184 Ų184154.8 Ų154.880%0.882%0.817SS**  trans-143.9154.7151.7-72.5-165.6177.6-177.50109.1
397D35.7Very low36.8Very low147 Ų147155.7 Ų155.779%0.78682%0.822SS**SBendtrans58.174.4162.2-46.6-29.8000117.6
398I38.8Very low36.3Very low169 Ų169158 Ų15887%0.86782%0.818SS**  trans-164.399.2140.4-90.6141.2000106.9
399D34.1Very low36.2Very low144 Ų144160.2 Ų160.277%0.7782%0.824SS**  trans-161.254.9162.8-135.8-17.5000113
400H41.4Very low36.3Very low189 Ų189155.1 Ų155.188%0.87582%0.822SS**SBendtrans-135.125.2-178.9-112.9-75.9000114.8
401L39.3Very low36.1Very low174 Ų174157 Ų15791%0.91183%0.831SS**SBendtrans-147.342.3175.8-145.971.9000114.8
402R34.2Very low35.9Very low227 Ų227157 Ų15786%0.85783%0.83SS**  trans-135.329.8-180-144.4179.3-170.3-175.23.7115.9
403R33.3Very low36.1Very low247 Ų247165.6 Ų165.693%0.93284%0.841SS**  trans-141.467.8176.1-72.6-165.7177.8-156.40.8114.3
404S34.7Very low35.8Very low108 Ų108163.4 Ų163.476%0.75583%0.832SS**  trans-169.471.4165.542.20000112.5
405N32.6Very low36.1Very low175 Ų175164.9 Ų164.994%0.93683%0.826SS**SBendtrans-174.469160.3-98.5-29.1000111.7
406S36.1Very low36Very low111 Ų111166 Ų16678%0.77682%0.821SS**  trans-163.9158.5161.9-167.30000110.7
407L40.4Very low35.9Very low168 Ų168163.9 Ų163.988%0.8882%0.818SS**  trans8492.4179.5-55.1177.3000117
408W28.9Very low36.1Very low220 Ų220162.6 Ų162.683%0.83382%0.815SS**  trans-81.8170.2147.6-95.6-65.1000110.7
409S32.8Very low36Very low110 Ų110162.9 Ų162.977%0.76981%0.813SS**  trans75.399.2163.8-52.20000118.2
410S37.3Very low36.3Very low129 Ų129161.9 Ų161.990%0.90281%0.814SS**  -174151.5121.2-80.80000112.7
411T33.1Very low36.1Very low124 Ų124157.9 Ų157.976%0.76181%0.807SS**  trans-88.5157.1-176.647.90000114.5
412L31.8Very low36.2Very low161 Ų161155.5 Ų155.584%0.84380%0.802SS**  trans59.7103.5155.3-71.9159.9000116.4
413R37.2Very low36.4Very low248 Ų248151.5 Ų151.594%0.93680%0.803SS**  -161.8179.676.2-99.7176.8174.6152.2-0.2113.4
414K35.3Very low36.6Very low164 Ų164147.7 Ų147.771%0.71380%0.799SS**  trans-101.9-173.9-177.9-154.3-178.2162-118.80110.5
415E43.5Very low36.5Very low140 Ų140153.8 Ų153.865%0.65481%0.806SS**  trans70.5139.3178.7-35.2-56.891.500114.5
416E38.9Very low36.6Very low146 Ų146148.7 Ų148.768%0.68280%0.795SS**  cis-163.8153.6-26.7-144.7-156.2143.800109.4
417L35.8Very low36.8Very low140 Ų140148.3 Ų148.373%0.73379%0.792SS**  trans62.3156.2164.5-54.7157.7000117
418V39.6Very low36.6Very low120 Ų120149.2 Ų149.273%0.72779%0.791SS**  cis-156.3146.4-24.1123.20000107.6
419E36Very low36.9Very low175 Ų175143 Ų14382%0.81879%0.787SS**  trans-84.7154.5171.8-72.1-168.513600112.5
420P40.7Very low37.3Very low123 Ų123143.4 Ų143.480%0.79979%0.79SS**  -139.315511837.4-26.7000115
421S36.8Very low37.4Very low105 Ų105142.7 Ų142.773%0.73479%0.785SS**PPolyproline II helixtrans-80.7149.6-177.1-370000114.1
422P40.3Very low38.3Very low125 Ų125142.1 Ų142.181%0.81278%0.783SS**PPolyproline II helixtrans-93.8135.2166.934.5-30.4000112.5
423V39.5Very low38.4Very low142 Ų142141.1 Ų141.186%0.86178%0.779SS**PPolyproline II helixtrans-91.2152171.4175.80000110.6
424I37.7Very low38.5Very low168 Ų168134.9 Ų134.986%0.86277%0.768SS**PPolyproline II helixtrans-63.4145-174.7-66.5176.6000112.4
425R32.9Very low38.6Very low236 Ų236131.5 Ų131.589%0.89177%0.771SS**  trans-105.2124.3-176.4-174.1-168.7-60.1-1631.1112.8
426G35Very low38.4Very low68 Ų68129.3 Ų129.370%0.70177%0.771SS**  trans-115.2162.113800000108.5
427S39.7Very low38.3Very low102 Ų102128.5 Ų128.571%0.71377%0.771SS**  cis-161.3135.82.157.70000110.7
428E35.4Very low38.7Very low187 Ų187129.5 Ų129.587%0.87477%0.772SS**  trans59.7135.9151.8-8.3-159.4134.200123.4
429A36.2Very low38.4Very low90 Ų90128.8 Ų128.874%0.74478%0.778SS**  trans80.6148.4141.400000123.4
430S41.2Very low38.4Very low119 Ų119123.7 Ų123.783%0.83277%0.773SS**  trans77.693.9156.6-50.80000120.5
431S38.8Very low38Very low114 Ų114126.4 Ų126.480%0.79778%0.775SS**  trans-80.1-176.6151.5-20.40000111
432P52.4Low37.9Very low111 Ų111128.5 Ų128.572%0.72178%0.777SS**  cis-133.5-162.1-18.429.9-6.3000112.8
433D34.6Very low37.6Very low141 Ų141127.3 Ų127.375%0.75477%0.772SS**  118.9149.7121.3-121.2-27.7000121.6
434V38.9Very low37.7Very low117 Ų117125.7 Ų125.771%0.70976%0.764SS**  trans61.698.8162.9-174.40000120.3
435A36.7Very low37.2Very low93 Ų93123 Ų12377%0.76976%0.761SS**  50.2166.8118.700000121.6
436S40.2Very low37.1Very low93 Ų93115.6 Ų115.665%0.6575%0.75SS**  cis-164.3169.85.7-153.30000111.5
437N36.9Very low36.9Very low129 Ų129120.2 Ų120.269%0.6976%0.759SS**  trans66155.4158.6-65.9-41.1000117.6
438Q43.4Very low36.4Very low162 Ų162118.4 Ų118.476%0.75776%0.756SS**  cis-150.7131.9-8.1-112.5155.541.300106.5
439A33.1Very low36.1Very low104 Ų104115.3 Ų115.386%0.8675%0.754SS**  81.1128.380.300000115.4
440G35.8Very low35.8Very low69 Ų69117.5 Ų117.571%0.71175%0.753SS**  trans136.498.6-176.100000109.9
441Q33Very low35.5Very low180 Ų180120 Ų12084%0.84175%0.751SS**  64.4129.280.7-66.8-168.29.900113.1
442L34.5Very low35.1Very low149 Ų149118.6 Ų118.678%0.7875%0.747SS**  cis-156.4150.74.4-107.8158.4000110.7
443S34.6Very low34.6Very low99 Ų99121.7 Ų121.769%0.69276%0.756SS**  trans-82.7169.9158.356.50000110.1
444P40Very low34.4Very low108 Ų108121.3 Ų121.370%0.70175%0.754SS**  cis-153.5-173.928.646.3-25000118.7
445S28.6Very low34.3Very low113 Ų113123.6 Ų123.679%0.7976%0.762SS**  trans52.7142.9139.8-65.30000125.4
446A30.3Very low34Very low80 Ų80123.1 Ų123.166%0.66175%0.753SS**  trans89.6148.9140.800000119.6
447D30.4Very low33.7Very low165 Ų165125.4 Ų125.488%0.88276%0.762SS**  trans49.4130.1160.8-45.8-31000117.8
448G30Very low33.5Very low64 Ų64122.5 Ų122.566%0.6676%0.762SS**  cis126.9147.922.300000108.1
449C28.8Very low33.1Very low122 Ų122125.6 Ų125.682%0.82477%0.769SS**  trans65.4159.8175.4-65.80000115.5
450D29.6Very low33Very low135 Ų135130.1 Ų130.172%0.72277%0.769SS**  cis-153.3173.9-12.8-121.6-40.1000110.7
451E35.9Very low32.8Very low172 Ų172135.1 Ų135.180%0.80478%0.779SS**  trans45.9116.9157.5-65.8-165.3126.100120.1
452A30.3Very low32.9Very low85 Ų85135.5 Ų135.570%0.70278%0.777SS**  74.6140.19500000114.3
453L40.6Very low32.8Very low176 Ų176138.6 Ų138.692%0.92179%0.785SS**  cis-135.4158.943.7-74.2160.8000114.7
454D30.7Very low32.8Very low132 Ų132137.9 Ų137.971%0.70679%0.785SS**  trans-86.2154.1175.8179.120.2000111.9S456D454-S456 PolarHBondContact OD1-N 2.7Å
455L37.6Very low32.4Very low166 Ų166140.7 Ų140.787%0.86979%0.794SS**  trans-167.467148.7-107.7160.9000112.8
456S30.4Very low32.4Very low83 Ų83139.8 Ų139.858%0.5879%0.787SS**  trans1.7120.7149.765.20000120.4D454D454-S456 PolarHBondContact OD1-N 2.7Å
457V34.3Very low32.5Very low141 Ų141143.3 Ų143.386%0.85579%0.794SS**  -141.9110.1127.5-175.50000108.5
458G32.3Very low32.9Very low67 Ų67145.8 Ų145.869%0.69179%0.792SS**  trans-167.379.3-17600000112.7K460G458-K460 PolarHBondContact O-N 3.31Å
459Y33.7Very low33.5Very low228 Ų228149.4 Ų149.489%0.89479%0.792SS**PPolyproline II helixtrans-70.6117.2-176.2-86.4-87.5000112.3L461Y459-L461 PolarHBondContact O-N 3.2Å
460K30.7Very low34.2Very low198 Ų198147.3 Ų147.386%0.86178%0.779SS**PPolyproline II helixtrans-74116.4172.5-62.9174.6-178.8174.20109.9G458G458-K460 PolarHBondContact O-N 3.31Å
461L32.1Very low34.7Very low175 Ų175149 Ų14992%0.91678%0.776SS**PPolyproline II helixtrans-85.3126.8161-132.972.6000109.5Y459Y459-L461 PolarHBondContact O-N 3.2Å
462K36.3Very low35.3Very low187 Ų187143.4 Ų143.481%0.81376%0.76SS**PPolyproline II helixtrans-78154179.3-69.1177.1178.1174.50110.5A464K462-A464 PolarHBondContact O-N 3.26Å
463K32.2Very low36.4Very low214 Ų214144.1 Ų144.193%0.9376%0.755SS**PPolyproline II helixtrans-55.2128.5153-78-175.4172.3-175.30108.8
464A33.6Very low36.6Very low85 Ų85138.5 Ų138.570%0.70273%0.734SS**  trans-141.4124.416800000108.8K462 C466K462-A464 PolarHBondContact O-N 3.26Å; A464-C466 PolarHBondContact O-N 3.4Å
465N31.9Very low37.3Very low166 Ų166137.9 Ų137.989%0.88873%0.727SS**  trans-78.2109.7166.7-64.3-2000107.1
466C28.2Very low37.9Very low95 Ų95135.4 Ų135.464%0.64271%0.714SS**  trans-163.551.6176-99.30000112.1A464A464-C466 PolarHBondContact O-N 3.4Å
467L33.4Very low38.6Very low154 Ų154139.2 Ų139.281%0.80672%0.717SS**  trans-142.354.4167.2-76.8-177.1000111.1
468Y38Very low39.2Very low216 Ų216141.8 Ų141.885%0.84771%0.712SS**SBendtrans-120.9-11163.5-165.3-104.1000112.1
469E42.9Very low40.1Very low140 Ų140142.1 Ų142.165%0.65471%0.708SS**SBendtrans-94.2-13.8-177.1-66.2164.7125.600113.1Y471E469-Y471 VanDerWaalsContact C-N 3.34Å; E469-Y471 PolarHBondContact O-N 3.29Å
470S43.3Very low40.9Very low79 Ų79134.8 Ų134.855%0.55269%0.694SS**THydrogen-bonded Turntrans-81.3-4.9-176.659.10000115.1
471Y41.4Very low41.9Very low170 Ų170131.9 Ų131.967%0.66768%0.684SS**THydrogen-bonded Turntrans-95.4-36.9176.5-161.3-100.8000112.2E469 A474 Q475E469-Y471 VanDerWaalsContact C-N 3.34Å; E469-Y471 PolarHBondContact O-N 3.29Å; Y471-A474 PolarHBondContact O-N 2.92Å; Y471-Q475 PolarHBondContact O-N 3.22Å
472A48.4Very low42.6Very low55 Ų55129.5 Ų129.546%0.45567%0.672SS.*Hα-helixtrans-62.6-50177.200000112A474 Q475 D476A472-A474 PolarHBondContact O-N 2.66Å; A472-A474 VanDerWaalsContact O-N 3.12Å; A472-Q475 PolarHBondContact O-N 3.26Å; A472-D476 PolarHBondContact O-N 2.84Å; A472-D476 VanDerWaalsContact O-N 3.16Å
473V52.1Low42.6Very low99 Ų99122.9 Ų122.960%0.666%0.657SS**Hα-helixtrans-60.8-25.8179.4-178.10000112.4Y477V473-Y477 WeakPolarHBondContact O-CB 3.24Å; V473-Y477 PolarHBondContact O-N 2.66Å
474A45.2Very low42.8Very low58 Ų58118.8 Ų118.848%0.47965%0.645SS.*Hα-helixtrans-76.2-29.7176.200000113.1Y471 A472 W478Y471-A474 PolarHBondContact O-N 2.92Å; A472-A474 PolarHBondContact O-N 2.66Å; A472-A474 VanDerWaalsContact O-N 3.12Å; A474-W478 PolarHBondContact O-N 3.08Å
475Q46.1Very low43.1Very low120 Ų120123.1 Ų123.156%0.56166%0.657SS**Hα-helixtrans-75.1-43173.8-68.4-173.6-49.300111.2Y471 A472 Y477 W478 A479Y471-Q475 PolarHBondContact O-N 3.22Å; A472-Q475 PolarHBondContact O-N 3.26Å; Q475-Y477 VanDerWaalsContact C-N 3.3Å; Q475-Y477 PolarHBondContact O-N 2.91Å; Q475-W478 PolarHBondContact O-N 2.89Å; Q475-W478 VanDerWaalsContact O-N 3.1Å; Q475-A479 PolarHBondContact O-N 3.5Å
476D49.5Very low43.4Very low114 Ų114122.9 Ų122.961%0.6165%0.648SS**Hα-helixtrans-59.3-40.1175.9-68.3-27.8000111.9A472 W478 A479 A480A472-D476 PolarHBondContact O-N 2.84Å; A472-D476 VanDerWaalsContact O-N 3.16Å; D476-W478 VanDerWaalsContact C-N 3.28Å; D476-W478 PolarHBondContact O-N 2.65Å; D476-A479 PolarHBondContact O-N 2.8Å; D476-A480 VanDerWaalsContact O-CB 3.27Å; D476-A480 WeakPolarHBondContact O-CB 3.1Å; D476-A480 PolarHBondContact O-N 3.47Å
477Y45.7Very low44Very low162 Ų162127.5 Ų127.564%0.63566%0.66SS**Hα-helixtrans-68.5-25.5178.3-153.3-94000113.3V473 Q475V473-Y477 WeakPolarHBondContact O-CB 3.24Å; V473-Y477 PolarHBondContact O-N 2.66Å; Q475-Y477 VanDerWaalsContact C-N 3.3Å; Q475-Y477 PolarHBondContact O-N 2.91Å
478W46.6Very low44.2Very low196 Ų196125.7 Ų125.774%0.74266%0.655SS**Hα-helixtrans-85.1-31.9176.9-151.165.1000112.4A474 Q475 D476 A480 N482A474-W478 PolarHBondContact O-N 3.08Å; Q475-W478 PolarHBondContact O-N 2.89Å; Q475-W478 VanDerWaalsContact O-N 3.1Å; D476-W478 VanDerWaalsContact C-N 3.28Å; D476-W478 PolarHBondContact O-N 2.65Å; W478-A480 VanDerWaalsContact C-N 3.35Å; W478-N482 PolarHBondContact O-ND2 3.43Å
479A50Low44.2Very low73 Ų73122.1 Ų122.160%0.60365%0.65SS**Hα-helixtrans-66.6-36.5167.700000111.9Q475 D476 Q481Q475-A479 PolarHBondContact O-N 3.5Å; D476-A479 PolarHBondContact O-N 2.8Å; A479-Q481 VanDerWaalsContact C-N 3.35Å; A479-Q481 PolarHBondContact O-N 2.97Å
480A52.3Low44.1Very low75 Ų75122.1 Ų122.162%0.6266%0.655SS**THydrogen-bonded Turntrans-73.6-14.5-177.100000115.7D476 W478D476-A480 VanDerWaalsContact O-CB 3.27Å; D476-A480 WeakPolarHBondContact O-CB 3.1Å; D476-A480 PolarHBondContact O-N 3.47Å; W478-A480 VanDerWaalsContact C-N 3.35Å
481Q51.2Low44.1Very low137 Ų137126.2 Ų126.264%0.6467%0.665SS**THydrogen-bonded Turntrans-99-5.4179.2-73.3-161.2-13.100114.9A479A479-Q481 VanDerWaalsContact C-N 3.35Å; A479-Q481 PolarHBondContact O-N 2.97Å
482N46Very low44.2Very low125 Ų125126.9 Ų126.967%0.66867%0.674SS**SBendtrans-113.128.9-178.3-66.6-67.5000112.8W478W478-N482 PolarHBondContact O-ND2 3.43Å
483G37.2Very low43.7Very low48 Ų48133.1 Ų133.150%0.49569%0.694SS.*  trans-143.2129.4-175.800000114.3
484N36.6Very low43.2Very low127 Ų127136.8 Ų136.868%0.67971%0.705SS**  trans76.890.9-174.6-48.9-90.6000115.6K486N484-K486 VanDerWaalsContact OD1-CE 3.24Å; N484-K486 WeakPolarHBondContact OD1-CE 3.27Å
485D39.2Very low43.2Very low177 Ų177142 Ų14295%0.94772%0.719SS**  -111.9153.2115.7-86.6-51.8000107.6
486K37.3Very low43Very low161 Ų161146.7 Ų146.770%0.773%0.732SS**  trans-136.2123.5-170-70.4-178179.7-177.80112.4N484N484-K486 VanDerWaalsContact OD1-CE 3.24Å; N484-K486 WeakPolarHBondContact OD1-CE 3.27Å
487E41.1Very low42.6Very low192 Ų192148.1 Ų148.190%0.89774%0.737SS**  trans-158.9104.6153.9-102.6153.9-157.100104.1
488V39.2Very low42.4Very low115 Ų115147.1 Ų147.170%0.69774%0.742SS**  88.8142.758.4172.50000111
489D36.9Very low42.2Very low141 Ų141146.8 Ų146.875%0.75475%0.749SS**  trans70.5134.3-171.5-46.8-25000115.2
490D40.3Very low41.7Very low140 Ų140151.6 Ų151.675%0.74976%0.759SS**  cis-163170.1-24.4-129.2-22.3000111.4
491E43.7Very low41Very low165 Ų165154.1 Ų154.177%0.77177%0.767SS**  trans66.4127.1159.3-68.4177.6164.700123.2
492E43.2Very low40.6Very low184 Ų184153.6 Ų153.686%0.8677%0.772SS**  trans63.1144.3149.8-60.3-176.1158.600120.9
493E39.6Very low39.9Very low186 Ų186152.7 Ų152.787%0.86978%0.776SS**  cis-142.6143.95.2-163.3177.6-173.700110.8
494E40.1Very low40Very low176 Ų176158.2 Ų158.282%0.82279%0.792SS**  trans-118.2112.5179.3178-172.5-155.600110.8
495E45.7Very low40Very low169 Ų169160.4 Ų160.479%0.7980%0.798SS**  trans-154.4156.7162.3-131.9-167.5-13900115
496R42.5Very low39.9Very low217 Ų217158.2 Ų158.282%0.81979%0.794SS**  trans72.863.1170-149.7175.6-55.1151.815.4118.4
497M40Very low39.9Very low144 Ų144158.1 Ų158.171%0.70980%0.799SS**  trans-56.9157.8137.3-64.3173.7-84.700111.2
498N42.1Very low39.6Very low141 Ų141154.3 Ų154.375%0.75479%0.794SS**  trans142.1128.7137.4-69.7-15.2000114.3
499E42.5Very low39.7Very low189 Ų189158.1 Ų158.188%0.88380%0.804SS**  trans65.7151.9157.4-61.7172.3147.500117.2
500E38.7Very low39.6Very low175 Ų175156.6 Ų156.682%0.81880%0.804SS**  cis-137.8165.97.8-155.4-177.9170.600111.7
501V38Very low39.5Very low128 Ų128156.1 Ų156.178%0.77681%0.812SS**  trans-123.4120.7-176.4174.50000111.6
502V41.9Very low39Very low126 Ų126152.9 Ų152.976%0.76481%0.814SS**  trans-141.7125.4162.7-176.30000111
503S33.1Very low38.7Very low105 Ų105152.1 Ų152.173%0.73481%0.814SS**  trans-95.5154.4171.7-47.50000111.5
504I37.9Very low38.3Very low165 Ų165148.6 Ų148.685%0.84681%0.81SS**  trans-154.7150.3155.7-102.7142.8000110.3
505E38.1Very low38.2Very low172 Ų172148 Ų14880%0.80481%0.812SS**  trans-93.1160.2-170.1-64.3179.6131.300113.4
506P36.1Very low37.5Very low132 Ų132145.4 Ų145.486%0.85781%0.812SS**  trans-78.2142.7175.832.3-35.1000112.4
507I37.9Very low37.2Very low159 Ų159139.2 Ų139.282%0.81581%0.808SS**  trans-129.1131.2175-38.4177.7000109.6
508S34.3Very low37.4Very low111 Ų111141.1 Ų141.178%0.77681%0.812SS**  trans-86.9134.1172.557.60000111.2
509E40.3Very low37.1Very low196 Ų196140.8 Ų140.892%0.91681%0.81SS**  trans-152.9144.1157.2-126.6166.1-12400112.9
510S35.9Very low37.2Very low109 Ų109140.6 Ų140.676%0.76281%0.81SS**  trans-114.6127.3-177.459.10000110.6
511S39Very low37.4Very low130 Ų130137 Ų13791%0.90980%0.804SS**  trans-155143.9165.6-85.20000111.4
512A31.9Very low37.7Very low97 Ų97139 Ų13980%0.80281%0.805SS**  trans-98.5142.6-179.800000111.1
513L36.7Very low38Very low167 Ų167141.9 Ų141.987%0.87481%0.81SS**  trans-138.5125158.3-76.7-179.5000109.8
514S30.9Very low38.5Very low112 Ų112145.7 Ų145.778%0.78382%0.816SS**  trans-98.8139.1163.745.20000109.1
515L39.2Very low38.5Very low163 Ų163141.2 Ų141.285%0.85380%0.804SS**  trans-135.2133.4175.9-73.4174.1000109.9
516S30.4Very low38.3Very low115 Ų115139 Ų13980%0.80481%0.806SS**  trans-137.7167.1-178.2-59.50000110.5
517A37.4Very low38.2Very low88 Ų88137.8 Ų137.873%0.72780%0.796SS**  trans73.4140.1-175.900000113.6
518K42.6Very low38.4Very low183 Ų183136.5 Ų136.580%0.79680%0.796SS**  cis-146.7143.643.3-73.9159.2-173.8168.80113.6
519N37.3Very low38.8Very low134 Ų134139.9 Ų139.972%0.71780%0.799SS**  57.8159.6126.2-455000118.4
520E43Very low38.7Very low186 Ų186133.4 Ų133.487%0.86979%0.785SS**  cis-137.1-162.128.5-70175.515200114.1
521S43.2Very low38.9Very low100 Ų100136.4 Ų136.470%0.69979%0.787SS**  trans-67.8177.3-164.146.30000116.5
522E45.7Very low38.6Very low170 Ų170137.9 Ų137.979%0.79478%0.784SS**  cis-145.713830.6-64.2168.2152.200110.9
523E47.4Very low38.8Very low186 Ų186136.4 Ų136.487%0.86978%0.778SS**  60.2131.194.8-55.5-174.3-167.500115.2
524E42.9Very low38.7Very low184 Ų184133.3 Ų133.386%0.8677%0.771SS**  cis-140.9-177.213.8-85.9-156.388.800112.4
525A38.3Very low39.1Very low71 Ų71136.5 Ų136.559%0.58777%0.773SS**  cis-179.74.3-4200000117T527A525-T527 VanDerWaalsContact O-CG2 3.31Å; A525-T527 WeakPolarHBondContact O-CG2 3.48Å
526C34.4Very low38.8Very low126 Ų126137.3 Ų137.385%0.85177%0.773SS**  trans-117.692.8-168.1-168.80000114.6
527T34.1Very low39.4Very low106 Ų106136.8 Ų136.865%0.6577%0.766SS**  80.4142.570.562.80000118A525A525-T527 VanDerWaalsContact O-CG2 3.31Å; A525-T527 WeakPolarHBondContact O-CG2 3.48Å
528T40.8Very low39.5Very low132 Ų132141.1 Ų141.181%0.8177%0.774SS**  trans88.6139.3167.570.70000119.8
529E43.5Very low39.3Very low182 Ų182135.9 Ų135.985%0.8577%0.772SS**  cis-178.6149.5-36-111.9-48.8148.900107.9
530G37.6Very low39.5Very low60 Ų60135.2 Ų135.262%0.61978%0.775SS**  trans65.9161.4169.300000119.1
531E39.8Very low39.1Very low172 Ų172133.7 Ų133.780%0.80477%0.772SS**  cis-153.8130.4-15.4-101-166.672.400107.8
532L34.1Very low39Very low161 Ų161139 Ų13984%0.84378%0.782SS**  71143.395.7-63.3-177.4000117.9
533G35.1Very low38.6Very low66 Ų66135.8 Ų135.868%0.6878%0.779SS**  trans99109.7-178.100000112.7
534S34.3Very low38.4Very low103 Ų103135.2 Ų135.272%0.7278%0.782SS**  cis72.2134.344.9106.10000112.5
535E39Very low38.5Very low179 Ų179131 Ų13184%0.83678%0.778SS**  cis-150.2-174.111.1-116.8143.2123.200112.8
536Q34.4Very low38.7Very low180 Ų180132.7 Ų132.784%0.84178%0.783SS**  trans-97.8-161.8-176.6-31.9170.7-67.300111.7
537P42.4Very low38.6Very low103 Ų103133.9 Ų133.967%0.66978%0.781SS**  cis-132.4-162.2-30.227.7-4000113.1
538M39.2Very low38.8Very low180 Ų180138.6 Ų138.689%0.88779%0.793SS**  trans93129.1159.3-51.2-63.4-85.300118.8
539G37.8Very low38.5Very low73 Ų73140.2 Ų140.275%0.75380%0.795SS**  trans-100.7-142.2175.300000113.1
540P42.5Very low38Very low119 Ų119135.8 Ų135.877%0.77379%0.79SS**  cis-138.1-164.513.833-8.3000115.1
541L35Very low38.2Very low155 Ų155142 Ų14281%0.81280%0.803SS**  trans73.897.7162.4-53.3173.9000119.1
542K40.6Very low38.3Very low210 Ų210138.9 Ų138.991%0.91380%0.8SS**  -173.1161.999.1-98.5165.5-175.5177.20112.2
543S37.5Very low38.3Very low104 Ų104138.7 Ų138.773%0.72780%0.799SS**  trans-102.5138.3-178.853.20000111.6
544D43.7Very low38.8Very low174 Ų174141 Ų14193%0.9380%0.8SS**  trans-152.1163.4150.6-85-49.2000108.4
545A43.7Very low39Very low94 Ų94142.8 Ų142.878%0.77780%0.799SS**  trans-149.7-168.4-171.100000109.1
546P42.7Very low39.1Very low108 Ų108140 Ų14070%0.70180%0.798SS**  cis-130.4-152.8-12.942-23.3000111.9
547D33.4Very low39.4Very low150 Ų150136.4 Ų136.480%0.80279%0.792SS**  trans-58.9144.4173.5-50.2-92.7000114.7L549D547-L549 PolarHBondContact O-N 3.5Å
548F37.7Very low39.4Very low206 Ų206134.6 Ų134.690%0.90479%0.792SS**  trans-86.995.7171.9-93.6-91.9000112.3
549L34.3Very low39.2Very low165 Ų165130 Ų13086%0.86479%0.792SS**  trans-113.3144.8152.3-83.9177.9000110D547D547-L549 PolarHBondContact O-N 3.5Å
550A34.3Very low39.4Very low90 Ų90132.2 Ų132.274%0.74480%0.795SS**  trans68.8127.4-179.600000116.8
551E41.1Very low39.1Very low190 Ų190133.3 Ų133.389%0.88880%0.8SS**  -158.4171.2114.1-112.6-170.314900111.6
552S42.1Very low39.3Very low106 Ų106132.1 Ų132.174%0.74180%0.803SS**  trans80.127.6-178.277.80000119.3V554S552-V554 PolarHBondContact O-N 2.95Å
553L34.5Very low39.5Very low158 Ų158126.5 Ų126.583%0.82780%0.796SS**  trans-69.283.8147.8178.361.4000108.6M555L553-M555 HydrophobicContact CG-CG 4.42Å; L553-M555 PolarHBondContact O-N 3.35Å
554V45Very low39.5Very low114 Ų114126.2 Ų126.269%0.69179%0.79SS**  trans-72.695.2-179.9-178.40000109.8S552 C556S552-V554 PolarHBondContact O-N 2.95Å; V554-C556 PolarHBondContact O-N 2.93Å; V554-C556 VanDerWaalsContact O-N 3.14Å
555M38.6Very low39.6Very low141 Ų141123.6 Ų123.670%0.69578%0.782SS**  trans-69.9104.1172.6-67.6-176.863.900110.2L553 S557L553-M555 HydrophobicContact CG-CG 4.42Å; L553-M555 PolarHBondContact O-N 3.35Å; M555-S557 PolarHBondContact O-N 3.2Å
556C40.9Very low39.4Very low121 Ų121127.4 Ų127.482%0.81878%0.784SS**  trans-7463.7168.4-67.30000111V554 G558V554-C556 PolarHBondContact O-N 2.93Å; V554-C556 VanDerWaalsContact O-N 3.14Å; C556-G558 PolarHBondContact O-N 3.06Å
557S41.1Very low39.1Very low103 Ų103126.2 Ų126.272%0.7279%0.791SS**  trans-92.974.1175-670000110.3M555M555-S557 PolarHBondContact O-N 3.2Å
558G41.7Very low40.1Very low65 Ų65124.4 Ų124.467%0.6779%0.785SS**SBendtrans-178.1130.2176.600000111.5C556 S560C556-G558 PolarHBondContact O-N 3.06Å; G558-S560 PolarHBondContact O-N 2.95Å
559G36.2Very low41Very low85 Ų85121 Ų12188%0.87677%0.772SS**  trans-77.3111176.700000111.1
560S40.9Very low42.1Very low118 Ų118119.7 Ų119.783%0.82576%0.763SS**  trans-152.3143.1166.2-780000109.7G558 C562G558-S560 PolarHBondContact O-N 2.95Å; S560-C562 PolarHBondContact O-N 3.39Å
561T37Very low44.1Very low142 Ų142122 Ų12287%0.87175%0.753SS**  trans-76.7107.4-171.137.70000111.6A563T561-A563 PolarHBondContact O-N 2.93Å
562C37.6Very low46.1Very low131 Ų131113.4 Ų113.489%0.88571%0.713SS**  trans-7295168.644.60000109.9S560S560-C562 PolarHBondContact O-N 3.39Å
563A45.1Very low48Very low91 Ų91112.7 Ų112.775%0.75271%0.706SS**  trans-59.8148.7177.300000111.9T561T561-A563 PolarHBondContact O-N 2.93Å
564T38Very low50Low98 Ų98106.7 Ų106.760%0.60168%0.676SS**  trans-62.4132-17749.40000112.8Q566T564-Q566 VanDerWaalsContact C-N 3.3Å; T564-Q566 PolarHBondContact O-N 3.18Å; T564-Q566 WeakPolarHBondContact OG1-CG 3.16Å
565P46.9Very low51.7Low119 Ų119110.2 Ų110.277%0.77369%0.685SS**  trans-71.588.2160.630.6-32.5000109.1
566Q37.6Very low53.7Low175 Ų175106.2 Ų106.282%0.81868%0.68SS**  trans-71.2136.2171.9-58.7-179.4200109.3T564T564-Q566 VanDerWaalsContact C-N 3.3Å; T564-Q566 PolarHBondContact O-N 3.18Å; T564-Q566 WeakPolarHBondContact OG1-CG 3.16Å
567G38.2Very low55.9Low82 Ų82101.1 Ų101.185%0.84565%0.646SS**  trans120.6-15.4162.200000118.2E569G567-E569 PolarHBondContact O-N 2.9Å
568V53.4Low58Low113 Ų11399.8 Ų99.869%0.68563%0.631SS**  trans-87.2107169-86.10000110.7M570V568-M570 PolarHBondContact O-N 3.46Å
569E55.9Low60Low134 Ų13497.1 Ų97.163%0.62660%0.603SS**  trans-76.791.3-179.3-158.2-172.1147.700110.4G567 R571G567-E569 PolarHBondContact O-N 2.9Å; E569-R571 HydrophobicContact CG-CG 4.16Å; E569-R571 PolarHBondContact O-N 2.89Å; E569-R571 IonicContact OE1-CZ 3.37Å; E569-R571 VanDerWaalsContact OE1-CZ 3.26Å; E569-R571 IonicContact OE1-NE 2.83Å; E569-R571 PolarHBondContact OE1-NE 2.85Å; E569-R571 IonicContact OE1-NH2 3.74Å; E569-R571 PolarHBondContact OE1-NH2 2.93Å; E569-R571 IonicContact OE2-CZ 2.65Å; E569-R571 IonicContact OE2-NE 2.73Å; E569-R571 IonicContact OE2-NH2 3.5Å; E569-R571 PolarHBondContact OE2-NH2 3.14Å
570M58.6Low62.3Low137 Ų13796 Ų9668%0.67558%0.581SS**  trans-69.771.2-178.5-62.1-65.2-72.600112.1V568 R591V568-M570 PolarHBondContact O-N 3.46Å; M570-R591 WeakPolarHBondContact O-CB 3.49Å; M570-R591 WeakPolarHBondContact O-CG 3.41Å
571R75.9Confident64.3Low139 Ų13991.7 Ų91.753%0.52556%0.556SS.*  trans-70.2169.2175-68-175-179.3163.38.4111.8E569E569-R571 HydrophobicContact CG-CG 4.16Å; E569-R571 PolarHBondContact O-N 2.89Å; E569-R571 IonicContact OE1-CZ 3.37Å; E569-R571 VanDerWaalsContact OE1-CZ 3.26Å; E569-R571 IonicContact OE1-NE 2.83Å; E569-R571 PolarHBondContact OE1-NE 2.85Å; E569-R571 IonicContact OE1-NH2 3.74Å; E569-R571 PolarHBondContact OE1-NH2 2.93Å; E569-R571 IonicContact OE2-CZ 2.65Å; E569-R571 IonicContact OE2-NE 2.73Å; E569-R571 IonicContact OE2-NH2 3.5Å; E569-R571 PolarHBondContact OE2-NH2 3.14Å
572C82.5Confident66.9Low9 Ų987.1 Ų87.16%0.06152%0.524CS..  trans-71143.3179.71090000111.8T574 C577 H590 C596C572-T574 PolarHBondContact O-N 3.37Å; C572-T574 VanDerWaalsContact SG-CB 3.55Å; C572-T574 PolarHBondContact SG-N 3.26Å; C572-T574 PolarHBondContact SG-OG1 2.93Å; C572-C577 HydrophobicContact CB-CB 4.35Å; C572-C577 WeakPolarHBondContact CB-SG 3.45Å; C572-C577 WeakPolarHBondContact SG-CB 3.32Å; C572-C577 CovalentContact SG-SG 2.05Å; C572-C577 PolarHBondContact SG-SG 3.36Å; C572-H590 WeakPolarHBondContact CB-CD2 3.46Å; C572-H590 WeakPolarHBondContact CB-NE2 3.48Å; C572-H590 PolarHBondContact SG-NE2 3.36Å; C572-C596 PolarHBondContact SG-SG 3.22Å
573P82.9Confident69.1Low92 Ų9284.2 Ų84.260%0.59750%0.499SS*.SBendtrans-73.916.8-177.9-17.532000115.9L593P573-L593 HydrophobicContact CB-CD2 3.95Å; P573-L593 HydrophobicContact CB-CG 4.18Å; P573-L593 HydrophobicContact CG-CD2 4.4Å; P573-L593 HydrophobicContact CG-CG 4.26Å
574T76.2Confident70.9Confident32 Ų3283.4 Ų83.420%0.19649%0.485CS..SBendtrans-92.8128.6178-50.70000109.1C572 G576 C577 L593C572-T574 PolarHBondContact O-N 3.37Å; C572-T574 VanDerWaalsContact SG-CB 3.55Å; C572-T574 PolarHBondContact SG-N 3.26Å; C572-T574 PolarHBondContact SG-OG1 2.93Å; T574-G576 PolarHBondContact O-N 2.75Å; T574-C577 WeakPolarHBondContact O-CB 3.21Å; T574-C577 PolarHBondContact O-N 3.28Å; T574-L593 WeakPolarHBondContact OG1-CD2 3.36Å
575E80Confident73.1Confident188 Ų18881.7 Ų81.788%0.87949%0.487SS*.THydrogen-bonded Turntrans-56.5136176.9-70.9-60.5157.900112.1C577E575-C577 PolarHBondContact O-N 3.11Å
576G81Confident75Confident57 Ų5782.5 Ų82.559%0.58849%0.485SS*.THydrogen-bonded Turntrans71.45.7-17600000115.9T574 R598T574-G576 PolarHBondContact O-N 2.75Å; G576-R598 PolarHBondContact O-NH1 3.25Å; G576-R598 VanDerWaalsContact O-NH1 3.09Å; G576-R598 PolarHBondContact O-NH2 2.83Å
577C86.7Confident77.2Confident14 Ų1481 Ų8110%0.09547%0.473CS..  trans-80.2131.1176.9179.90000112.9C572 T574 E575 H590C572-C577 HydrophobicContact CB-CB 4.35Å; C572-C577 WeakPolarHBondContact CB-SG 3.45Å; C572-C577 WeakPolarHBondContact SG-CB 3.32Å; C572-C577 CovalentContact SG-SG 2.05Å; C572-C577 PolarHBondContact SG-SG 3.36Å; T574-C577 WeakPolarHBondContact O-CB 3.21Å; T574-C577 PolarHBondContact O-N 3.28Å; E575-C577 PolarHBondContact O-N 3.11Å; C577-H590 PolarHBondContact SG-NE2 3Å
578D85.7Confident79.5Confident75 Ų7582.5 Ų82.540%0.40147%0.471SS..  trans-94.3-1.3178.758.5-55.4000113.4S580 R598D578-S580 PolarHBondContact O-N 3.41Å; D578-S580 WeakPolarHBondContact OD2-CB 3.46Å; D578-S580 PolarHBondContact OD2-OG 3.09Å; D578-R598 IonicContact OD1-CZ 3.64Å; D578-R598 IonicContact OD1-NH1 2.76Å; D578-R598 PolarHBondContact OD1-NH1 3.32Å
579G83.1Confident81.2Confident8 Ų880.3 Ų80.38%0.08246%0.46CS..  trans76-3.9-177.500000114.9S589 H590G579-S589 CarbonylContact O-C 3.56Å; G579-S589 WeakPolarHBondContact O-CA 3.42Å; G579-S589 WeakPolarHBondContact O-CB 3.3Å; G579-H590 VanDerWaalsContact C-CE1 3.4Å; G579-H590 PolarHBondContact O-N 3.29Å; G579-H590 PolarHBondContact O-ND1 3.06Å; G579-H590 VanDerWaalsContact O-ND1 3.16Å
580S85.6Confident82.9Confident61 Ų6174.3 Ų74.343%0.42743%0.432SS..BIsolated β-bridgetrans-72.8152.3178.8-53.60000113.4D578 H590D578-S580 PolarHBondContact O-N 3.41Å; D578-S580 WeakPolarHBondContact OD2-CB 3.46Å; D578-S580 PolarHBondContact OD2-OG 3.09Å; S580-H590 PolarHBondContact O-CE1 2.82Å; S580-H590 PolarHBondContact O-ND1 3.11Å; S580-H590 VanDerWaalsContact O-ND1 3.17Å
581G83.3Confident84.3Confident28 Ų2876.6 Ų76.629%0.28943%0.433SS..SBendtrans64.1-173.3-178.300000113.2Y587 S588 S589 H590G581-Y587 CarbonylContact C-O 3.55Å; G581-Y587 WeakPolarHBondContact CA-O 3.5Å; G581-S588 PolarHBondContact N-O 3.16Å; G581-S589 CarbonylContact O-C 3.48Å; G581-S589 VanDerWaalsContact O-CA 3.3Å; G581-S589 WeakPolarHBondContact O-CA 3.33Å; G581-H590 PolarHBondContact O-N 3.5Å; G581-H590 PolarHBondContact O-ND1 3.47Å
582H90.2Very high84.6Confident46 Ų4672.2 Ų72.221%0.21342%0.424CS..  trans-152.2151.6173.1-171.6-92.2000108.7T584 G585 Y587 H590 G595H582-T584 PolarHBondContact ND1-N 3.19Å; H582-T584 PolarHBondContact ND1-OG1 2.57Å; H582-T584 PolarHBondContact O-N 2.98Å; H582-G585 PolarHBondContact O-N 2.91Å; H582-Y587 HydrophobicContact CB-CD2 4Å; H582-Y587 HydrophobicContact CB-CG 4.44Å; H582-Y587 WeakPolarHBondContact CB-O 3.46Å; H582-Y587 AromaticContact CG-CD2 3.68Å; H582-Y587 PolarHBondContact N-O 3.49Å; H582-Y587 VanDerWaalsContact N-O 3.15Å; H582-Y587 AromaticContact ND1-CD2 3.65Å; H582-H590 HydrophobicContact CB-CB 4.44Å; H582-G595 CarbonylContact C-O 3.07Å; H582-G595 VanDerWaalsContact CA-O 3.27Å; H582-G595 WeakPolarHBondContact CA-O 3.14Å; H582-G595 VanDerWaalsContact NE2-CA 3.32Å; H582-G595 WeakPolarHBondContact NE2-CA 2.93Å
583I84.9Confident84.6Confident70 Ų7075.4 Ų75.436%0.35944%0.44SS..THydrogen-bonded Turntrans-60-19-176.7-163.6169.5000114.1S594 G595 R601I583-S594 WeakPolarHBondContact CG2-O 3.39Å; I583-G595 PolarHBondContact N-O 3.15Å; I583-R601 VanDerWaalsContact CD1-NE 3.32Å
584T83.2Confident84.6Confident74 Ų7475.2 Ų75.245%0.45444%0.441SS..THydrogen-bonded Turntrans-91.1-0.5174.9600000113.8H582 N586H582-T584 PolarHBondContact ND1-N 3.19Å; H582-T584 PolarHBondContact ND1-OG1 2.57Å; H582-T584 PolarHBondContact O-N 2.98Å; T584-N586 PolarHBondContact O-N 2.85Å; T584-N586 PolarHBondContact O-OD1 3.33Å
585G83Confident84.8Confident63 Ų6373.7 Ų73.765%0.64943%0.431SS*.SBendtrans72.1-28.7-17300000115.4H582 Y587H582-G585 PolarHBondContact O-N 2.91Å; G585-Y587 VanDerWaalsContact C-N 3.3Å; G585-Y587 PolarHBondContact O-N 3.24Å
586N86.9Confident85Confident136 Ų13664.7 Ų64.773%0.72739%0.39SS*.SBendtrans-74.2-3.8-167.9-66.3-2.3000116.6T584T584-N586 PolarHBondContact O-N 2.85Å; T584-N586 PolarHBondContact O-OD1 3.33Å
587Y84.3Confident85.1Confident142 Ų14265.3 Ų65.356%0.55738%0.383SS*.  trans-134.3135.5-178.2-48.5-81.3000111.1G581 H582 G585 S589G581-Y587 CarbonylContact C-O 3.55Å; G581-Y587 WeakPolarHBondContact CA-O 3.5Å; H582-Y587 HydrophobicContact CB-CD2 4Å; H582-Y587 HydrophobicContact CB-CG 4.44Å; H582-Y587 WeakPolarHBondContact CB-O 3.46Å; H582-Y587 AromaticContact CG-CD2 3.68Å; H582-Y587 PolarHBondContact N-O 3.49Å; H582-Y587 VanDerWaalsContact N-O 3.15Å; H582-Y587 AromaticContact ND1-CD2 3.65Å; G585-Y587 VanDerWaalsContact C-N 3.3Å; G585-Y587 PolarHBondContact O-N 3.24Å; Y587-S589 PolarHBondContact O-N 3.02Å
588S87.4Confident84.7Confident115 Ų11571.4 Ų71.480%0.80440%0.404SS*.SBendtrans-71.1-8.9-179.9-46.40000114.3G581G581-S588 PolarHBondContact N-O 3.16Å
589S88.8Confident84.2Confident66 Ų6669 Ų6946%0.46240%0.395SS..BIsolated β-bridgetrans-151.1160.7175.266.30000113G579 G581 Y587G579-S589 CarbonylContact O-C 3.56Å; G579-S589 WeakPolarHBondContact O-CA 3.42Å; G579-S589 WeakPolarHBondContact O-CB 3.3Å; G581-S589 CarbonylContact O-C 3.48Å; G581-S589 VanDerWaalsContact O-CA 3.3Å; G581-S589 WeakPolarHBondContact O-CA 3.33Å; Y587-S589 PolarHBondContact O-N 3.02Å
590H90.7Very high83.1Confident8 Ų872.3 Ų72.34%0.03743%0.429CS..  trans-142.1155.3175.367.6-79.7000110C572 C577 G579 S580 G581 H582 C596 P597C572-H590 WeakPolarHBondContact CB-CD2 3.46Å; C572-H590 WeakPolarHBondContact CB-NE2 3.48Å; C572-H590 PolarHBondContact SG-NE2 3.36Å; C577-H590 PolarHBondContact SG-NE2 3Å; G579-H590 VanDerWaalsContact C-CE1 3.4Å; G579-H590 PolarHBondContact O-N 3.29Å; G579-H590 PolarHBondContact O-ND1 3.06Å; G579-H590 VanDerWaalsContact O-ND1 3.16Å; S580-H590 PolarHBondContact O-CE1 2.82Å; S580-H590 PolarHBondContact O-ND1 3.11Å; S580-H590 VanDerWaalsContact O-ND1 3.17Å; G581-H590 PolarHBondContact O-N 3.5Å; G581-H590 PolarHBondContact O-ND1 3.47Å; H582-H590 HydrophobicContact CB-CB 4.44Å; H590-C596 WeakPolarHBondContact CD2-CA 3.06Å; H590-C596 VanDerWaalsContact CD2-CB 3.5Å; H590-C596 WeakPolarHBondContact CD2-CB 3.39Å; H590-C596 WeakPolarHBondContact NE2-CA 3.31Å; H590-C596 WeakPolarHBondContact NE2-CB 3.14Å; H590-C596 PolarHBondContact NE2-SG 3.21Å; H590-C596 VanDerWaalsContact NE2-SG 3.38Å; H590-P597 WeakPolarHBondContact CE1-CD 3.33Å
591R87.7Confident81.8Confident186 Ų18678 Ų7870%0.70244%0.441SS*.  trans-128.98.7-176.5-55.9-175.2-171.7171.11113.6M570M570-R591 WeakPolarHBondContact O-CB 3.49Å; M570-R591 WeakPolarHBondContact O-CG 3.41Å
592S82.8Confident80.3Confident46 Ų4681.9 Ų81.932%0.32246%0.461SS..SBendtrans-139.1155.9-174.563.20000111.2S594 G595 C596S592-S594 PolarHBondContact O-N 3.39Å; S592-S594 PolarHBondContact OG-OG 3.14Å; S592-G595 PolarHBondContact O-N 2.06Å; S592-G595 VanDerWaalsContact O-N 3.16Å; S592-G595 PolarHBondContact OG-N 3.27Å; S592-C596 PolarHBondContact O-N 3.31Å
593L82.6Confident78.4Confident76 Ų7689.6 Ų89.640%0.39849%0.494SS..G310 helixtrans-57.3-33.9171.9-62.7178.6000112P573 T574 G595 C596P573-L593 HydrophobicContact CB-CD2 3.95Å; P573-L593 HydrophobicContact CB-CG 4.18Å; P573-L593 HydrophobicContact CG-CD2 4.4Å; P573-L593 HydrophobicContact CG-CG 4.26Å; T574-L593 WeakPolarHBondContact OG1-CD2 3.36Å; L593-G595 VanDerWaalsContact C-N 3.31Å; L593-G595 PolarHBondContact O-N 3.45Å; L593-C596 PolarHBondContact O-N 2.83Å
594S81.9Confident76.3Confident88 Ų8894.7 Ų94.762%0.61551%0.509SS*.G310 helixtrans-66.2-28.8178.753.30000114.2I583 S592I583-S594 WeakPolarHBondContact CG2-O 3.39Å; S592-S594 PolarHBondContact O-N 3.39Å; S592-S594 PolarHBondContact OG-OG 3.14Å
595G80.8Confident74.3Confident0 Ų095.4 Ų95.40%052%0.515CS..G310 helixtrans-96.8-7.4178.100000114.3H582 I583 S592 L593H582-G595 CarbonylContact C-O 3.07Å; H582-G595 VanDerWaalsContact CA-O 3.27Å; H582-G595 WeakPolarHBondContact CA-O 3.14Å; H582-G595 VanDerWaalsContact NE2-CA 3.32Å; H582-G595 WeakPolarHBondContact NE2-CA 2.93Å; I583-G595 PolarHBondContact N-O 3.15Å; S592-G595 PolarHBondContact O-N 2.06Å; S592-G595 VanDerWaalsContact O-N 3.16Å; S592-G595 PolarHBondContact OG-N 3.27Å; L593-G595 VanDerWaalsContact C-N 3.31Å; L593-G595 PolarHBondContact O-N 3.45Å
596C85.2Confident72.4Confident0 Ų0101.9 Ų101.90%053%0.525CS..  trans-77123.5-169.5-178.60000112.8C572 H590 S592 L593 R598 A599C572-C596 PolarHBondContact SG-SG 3.22Å; H590-C596 WeakPolarHBondContact CD2-CA 3.06Å; H590-C596 VanDerWaalsContact CD2-CB 3.5Å; H590-C596 WeakPolarHBondContact CD2-CB 3.39Å; H590-C596 WeakPolarHBondContact NE2-CA 3.31Å; H590-C596 WeakPolarHBondContact NE2-CB 3.14Å; H590-C596 PolarHBondContact NE2-SG 3.21Å; H590-C596 VanDerWaalsContact NE2-SG 3.38Å; S592-C596 PolarHBondContact O-N 3.31Å; L593-C596 PolarHBondContact O-N 2.83Å; C596-R598 PolarHBondContact O-N 3.25Å; C596-R598 PolarHBondContact SG-N 3.08Å; C596-A599 HydrophobicContact CB-CB 3.64Å; C596-A599 PolarHBondContact O-N 2.9Å; C596-A599 PolarHBondContact SG-N 3.31Å
597P82.5Confident70.6Confident70 Ų70101.1 Ų101.146%0.45552%0.521SS..THydrogen-bonded Turntrans-74.1-15.2173.731.6-32.8000112.6H590H590-P597 WeakPolarHBondContact CE1-CD 3.33Å
598R78.7Confident68.9Low141 Ų14196.8 Ų96.853%0.53251%0.506SS..THydrogen-bonded Turntrans-98.3-7.9178.7-57.7173.474.9167.6-1.5112.8G576 D578 C596 G600G576-R598 PolarHBondContact O-NH1 3.25Å; G576-R598 VanDerWaalsContact O-NH1 3.09Å; G576-R598 PolarHBondContact O-NH2 2.83Å; D578-R598 IonicContact OD1-CZ 3.64Å; D578-R598 IonicContact OD1-NH1 2.76Å; D578-R598 PolarHBondContact OD1-NH1 3.32Å; C596-R598 PolarHBondContact O-N 3.25Å; C596-R598 PolarHBondContact SG-N 3.08Å; R598-G600 PolarHBondContact O-N 3.19Å; R598-G600 VanDerWaalsContact O-N 3.11Å
599A74.4Confident67.4Low25 Ų2596.1 Ų96.121%0.20750%0.497CS..SBendtrans-73104.6174.100000108.7C596 R601C596-A599 HydrophobicContact CB-CB 3.64Å; C596-A599 PolarHBondContact O-N 2.9Å; C596-A599 PolarHBondContact SG-N 3.31Å; A599-R601 PolarHBondContact O-N 3.45Å
600G60.5Low65.8Low77 Ų77100.3 Ų100.379%0.79451%0.509SS*.  trans-61.393178.600000111.5R598R598-G600 PolarHBondContact O-N 3.19Å; R598-G600 VanDerWaalsContact O-N 3.11Å
601R58.3Low64.3Low181 Ų181107 Ų10768%0.68355%0.545SS*.  trans-57.2132.4155.8-64.9-179.1-178.2-110.1-3106.4I583 A599 K603I583-R601 VanDerWaalsContact CD1-NE 3.32Å; A599-R601 PolarHBondContact O-N 3.45Å; R601-K603 PolarHBondContact O-N 2.96Å; R601-K603 VanDerWaalsContact O-N 3.07Å
602P51.4Low63.1Low110 Ų110102.7 Ų102.771%0.71454%0.535SS*.  trans-55.5123.4167.624.1-32.1000107.2R604P602-R604 VanDerWaalsContact C-N 3.32Å; P602-R604 PolarHBondContact O-N 2.92Å
603K50.1Low62.7Low208 Ų208106.1 Ų106.190%0.90454%0.541SS*.  trans-61.1103.8165.3-76.8-176.8178.1179.10105.2R601R601-K603 PolarHBondContact O-N 2.96Å; R601-K603 VanDerWaalsContact O-N 3.07Å
604R40.5Very low62.7Low176 Ų176102.9 Ų102.966%0.66452%0.524SS*.  trans-59.3140.8173.1-67.1-156.6164.3-148.4-7108.3P602 E608P602-R604 VanDerWaalsContact C-N 3.32Å; P602-R604 PolarHBondContact O-N 2.92Å; R604-E608 VanDerWaalsContact CD-CD 3.5Å; R604-E608 WeakPolarHBondContact CD-OE1 3.41Å; R604-E608 WeakPolarHBondContact CD-OE2 3.21Å; R604-E608 IonicContact CZ-OE1 3.54Å; R604-E608 IonicContact CZ-OE2 3.15Å; R604-E608 IonicContact NE-OE1 3.6Å; R604-E608 IonicContact NE-OE2 3.66Å; R604-E608 IonicContact NH1-OE1 2.72Å; R604-E608 PolarHBondContact NH1-OE1 3.27Å; R604-E608 IonicContact NH1-OE2 2.68Å; R604-E608 PolarHBondContact NH1-OE2 3.13Å
605P41.8Very low62.7Low90 Ų90103.3 Ų103.358%0.58453%0.525SS*.  trans-55.2151.4174.825.1-33.4000109.5D607P605-D607 PolarHBondContact O-N 3.02Å
606K43.6Very low62.6Low198 Ų198104.6 Ų104.686%0.86153%0.533SS*.THydrogen-bonded Turntrans-80.615.6-160.3-155.5-168165.7-162.40113
607D48.9Very low62.4Low121 Ų121110.7 Ų110.765%0.64757%0.573SS**THydrogen-bonded Turntrans-124.22.5-159.6-46.9-72.6000112.1P605 T609P605-D607 PolarHBondContact O-N 3.02Å; D607-T609 PolarHBondContact O-N 3.43Å
608E48.5Very low62.3Low50 Ų50111.2 Ų111.223%0.23459%0.591CS.*THydrogen-bonded Turntrans-69.514.2173.4-64.4-167.3165.700114.5R604 E610 L611 L612R604-E608 VanDerWaalsContact CD-CD 3.5Å; R604-E608 WeakPolarHBondContact CD-OE1 3.41Å; R604-E608 WeakPolarHBondContact CD-OE2 3.21Å; R604-E608 IonicContact CZ-OE1 3.54Å; R604-E608 IonicContact CZ-OE2 3.15Å; R604-E608 IonicContact NE-OE1 3.6Å; R604-E608 IonicContact NE-OE2 3.66Å; R604-E608 IonicContact NH1-OE1 2.72Å; R604-E608 PolarHBondContact NH1-OE1 3.27Å; R604-E608 IonicContact NH1-OE2 2.68Å; R604-E608 PolarHBondContact NH1-OE2 3.13Å; E608-E610 PolarHBondContact O-N 3.04Å; E608-L611 PolarHBondContact O-N 2.91Å; E608-L612 PolarHBondContact O-N 3Å; E608-L612 VanDerWaalsContact O-N 3.16Å
609T56.4Low62.7Low101 Ų101104.8 Ų104.862%0.6257%0.567SS**THydrogen-bonded Turntrans-61.6-21.617729.30000113.7D607 R613D607-T609 PolarHBondContact O-N 3.43Å; T609-R613 PolarHBondContact O-N 2.98Å
610E54.8Low63.2Low154 Ų154106.7 Ų106.772%0.7257%0.574SS**THydrogen-bonded Turntrans-79-38.9173.3-60.5-161.4123.600112.8E608 L612 R613E608-E610 PolarHBondContact O-N 3.04Å; E610-L612 VanDerWaalsContact C-N 3.27Å; E610-L612 PolarHBondContact O-N 3.09Å; E610-R613 WeakPolarHBondContact O-CB 3.17Å; E610-R613 PolarHBondContact O-N 3.41Å
611L58.5Low64.4Low150 Ų150103.3 Ų103.379%0.78554%0.539SS*.THydrogen-bonded Turntrans-79.2-9.8179.2-61.8179.4000113.6E608E608-L611 PolarHBondContact O-N 2.91Å
612L62.2Low65.7Low94 Ų9497.1 Ų97.149%0.49252%0.524SS..THydrogen-bonded Turntrans-105.80.9169-61.3178.5000113.2E608 E610 R633E608-L612 PolarHBondContact O-N 3Å; E608-L612 VanDerWaalsContact O-N 3.16Å; E610-L612 VanDerWaalsContact C-N 3.27Å; E610-L612 PolarHBondContact O-N 3.09Å; L612-R633 WeakPolarHBondContact O-CG 3.29Å
613R74.8Confident67.2Low119 Ų11993.2 Ų93.245%0.44950%0.503SS..SBendtrans-66.8172.7171.8-148.587.8136.9160.4-13.2109.9T609 E610 D620T609-R613 PolarHBondContact O-N 2.98Å; E610-R613 WeakPolarHBondContact O-CB 3.17Å; E610-R613 PolarHBondContact O-N 3.41Å; R613-D620 VanDerWaalsContact CD-O 3.24Å; R613-D620 WeakPolarHBondContact CD-O 3.28Å; R613-D620 PolarHBondContact NE-O 3.27Å; R613-D620 PolarHBondContact NH1-O 3.3Å
614C83Confident69.1Low8 Ų885.5 Ų85.55%0.05447%0.47CS..  trans-75.1136.2171.5-173.60000110.8V616 C619 H632 S634C614-V616 PolarHBondContact O-N 3.32Å; C614-C619 HydrophobicContact CB-CB 4.3Å; C614-H632 WeakPolarHBondContact CB-NE2 3.32Å; C614-S634 PolarHBondContact SG-O 3.41Å
615P82.7Confident71.2Confident96 Ų9681.1 Ų81.162%0.62346%0.459SS*.SBendtrans-77.341.3179.334.2-38.5000112.9V635P615-V635 HydrophobicContact CG-CG2 3.98Å
616V78.9Confident73.1Confident28 Ų2880.8 Ų80.817%0.1746%0.455CS..SBendtrans-115.6117.9174.81750000106.8C614 G618 C619 V635 P641C614-V616 PolarHBondContact O-N 3.32Å; V616-G618 PolarHBondContact O-N 2.83Å; V616-C619 HydrophobicContact CB-CB 3.66Å; V616-C619 HydrophobicContact CG1-CB 3.92Å; V616-C619 WeakPolarHBondContact O-CB 3.39Å; V616-C619 PolarHBondContact O-N 2.98Å; V616-V635 HydrophobicContact CG2-CB 4.11Å; V616-V635 HydrophobicContact CG2-CG1 3.9Å; V616-V635 HydrophobicContact CG2-CG2 3.92Å; V616-P641 HydrophobicContact CG1-CB 4.44Å; V616-P641 HydrophobicContact CG1-CG 4.15Å; V616-P641 HydrophobicContact CG2-CG 4.2Å
617P79.9Confident75Confident128 Ų12874.5 Ų74.583%0.83145%0.447SS*.THydrogen-bonded Turntrans-52.2134.8177.6-28.336.1000111.8C619P617-C619 PolarHBondContact O-N 3.43Å
618G80.5Confident76.8Confident81 Ų8176.8 Ų76.884%0.83545%0.451SS*.THydrogen-bonded Turntrans72.1-0.6-174.400000115.8V616V616-G618 PolarHBondContact O-N 2.83Å
619C86.6Confident78.5Confident6 Ų681.1 Ų81.14%0.04147%0.466CS..  trans-88.7117.6175.8-172.70000111.8C614 V616 P617 G621 H632 C638 L640C614-C619 HydrophobicContact CB-CB 4.3Å; V616-C619 HydrophobicContact CB-CB 3.66Å; V616-C619 HydrophobicContact CG1-CB 3.92Å; V616-C619 WeakPolarHBondContact O-CB 3.39Å; V616-C619 PolarHBondContact O-N 2.98Å; P617-C619 PolarHBondContact O-N 3.43Å; C619-G621 PolarHBondContact O-N 3.37Å; C619-H632 PolarHBondContact SG-CE1 3.38Å; C619-H632 PolarHBondContact SG-NE2 3.27Å; C619-C638 HydrophobicContact CB-CB 4.43Å; C619-C638 WeakPolarHBondContact CB-SG 3.24Å; C619-C638 WeakPolarHBondContact SG-CB 3.21Å; C619-C638 CovalentContact SG-SG 2.06Å; C619-C638 PolarHBondContact SG-SG 2.86Å; C619-L640 HydrophobicContact CB-CD1 4.06Å
620D85.5Confident79.9Confident65 Ų6583.9 Ų83.935%0.34848%0.477SS..  trans-78.12.3-175.779.1-30.9000114.4R613 S622R613-D620 VanDerWaalsContact CD-O 3.24Å; R613-D620 WeakPolarHBondContact CD-O 3.28Å; R613-D620 PolarHBondContact NE-O 3.27Å; R613-D620 PolarHBondContact NH1-O 3.3Å; D620-S622 VanDerWaalsContact CG-OG 3.26Å; D620-S622 PolarHBondContact O-N 3Å; D620-S622 VanDerWaalsContact OD1-CB 3.31Å; D620-S622 WeakPolarHBondContact OD1-CB 3.37Å; D620-S622 PolarHBondContact OD1-N 3.4Å; D620-S622 WeakPolarHBondContact OD2-CB 3.49Å; D620-S622 PolarHBondContact OD2-OG 2.91Å
621G84.8Confident81.5Confident6 Ų680.5 Ų80.56%0.06247%0.467CS..SBendtrans72.31.8-175.700000114.6C619 T631 H632C619-G621 PolarHBondContact O-N 3.37Å; G621-T631 CarbonylContact O-C 3.57Å; G621-T631 WeakPolarHBondContact O-CA 3.48Å; G621-T631 WeakPolarHBondContact O-CB 3.5Å; G621-H632 WeakPolarHBondContact CA-CE1 3.41Å; G621-H632 PolarHBondContact O-N 2.83Å; G621-H632 PolarHBondContact O-ND1 3.25Å
622S86.3Confident83.1Confident51 Ų5173.7 Ų73.736%0.35743%0.431SS..BIsolated β-bridgetrans-84.9157.1179.3-57.90000112.5D620 H632D620-S622 VanDerWaalsContact CG-OG 3.26Å; D620-S622 PolarHBondContact O-N 3Å; D620-S622 VanDerWaalsContact OD1-CB 3.31Å; D620-S622 WeakPolarHBondContact OD1-CB 3.37Å; D620-S622 PolarHBondContact OD1-N 3.4Å; D620-S622 WeakPolarHBondContact OD2-CB 3.49Å; D620-S622 PolarHBondContact OD2-OG 2.91Å; S622-H632 PolarHBondContact O-CE1 3.43Å; S622-H632 PolarHBondContact O-ND1 3.32Å
623G83.6Confident84.3Confident28 Ų2877.1 Ų77.129%0.28944%0.437SS..SBendtrans59.1-166.7-173.700000113.2Y629 L630 T631 H632G623-Y629 CarbonylContact C-O 3.49Å; G623-Y629 VanDerWaalsContact CA-O 3.31Å; G623-Y629 WeakPolarHBondContact CA-O 3.42Å; G623-L630 PolarHBondContact N-O 2.74Å; G623-T631 CarbonylContact O-C 3.51Å; G623-T631 WeakPolarHBondContact O-CA 3.29Å; G623-H632 WeakPolarHBondContact O-CB 3.18Å; G623-H632 PolarHBondContact O-N 2.05Å; G623-H632 PolarHBondContact O-ND1 3.43Å
624H89.5Confident84.7Confident45 Ų4573.8 Ų73.821%0.20843%0.432CS..  trans-153.9150.1172.2-166.5-95.5000108.1T626 G627 Y629 H632 G637H624-T626 PolarHBondContact CE1-OG1 3.18Å; H624-T626 PolarHBondContact ND1-N 3.07Å; H624-T626 PolarHBondContact ND1-OG1 3.48Å; H624-T626 PolarHBondContact O-N 2.97Å; H624-G627 PolarHBondContact O-N 2.92Å; H624-Y629 HydrophobicContact CB-CD2 4.04Å; H624-Y629 AromaticContact CD2-CD2 3.81Å; H624-Y629 AromaticContact CG-CD2 3.68Å; H624-Y629 PolarHBondContact N-O 3.48Å; H624-Y629 AromaticContact ND1-CD2 3.79Å; H624-H632 HydrophobicContact CB-CB 4.43Å; H624-H632 VanDerWaalsContact CD2-CB 3.49Å; H624-H632 WeakPolarHBondContact CD2-CB 3.47Å; H624-G637 CarbonylContact C-O 3.22Å; H624-G637 WeakPolarHBondContact CA-O 3.39Å
625I84Confident84.7Confident85 Ų8577.2 Ų77.244%0.43645%0.453SS..THydrogen-bonded Turntrans-42.5-36.1172.7-178.6-168.3000113.3S636 G637 T642I625-S636 WeakPolarHBondContact CG2-O 3.13Å; I625-G637 PolarHBondContact N-O 2.8Å; I625-T642 HydrophobicContact CD1-CG2 3.4Å; I625-T642 HydrophobicContact CG1-CG2 3.66Å
626T82.7Confident84.7Confident82 Ų8277 Ų7750%0.50345%0.454SS..THydrogen-bonded Turntrans-86.3-4.6-176.2-29.30000113.8H624 K628H624-T626 PolarHBondContact CE1-OG1 3.18Å; H624-T626 PolarHBondContact ND1-N 3.07Å; H624-T626 PolarHBondContact ND1-OG1 3.48Å; H624-T626 PolarHBondContact O-N 2.97Å; T626-K628 HydrophobicContact CG2-CD 4.21Å; T626-K628 HydrophobicContact CG2-CG 4.26Å; T626-K628 PolarHBondContact O-N 3.12Å
627G83.6Confident84.9Confident67 Ų6775.8 Ų75.869%0.69145%0.446SS*.SBendtrans69-17.5-171.800000115.9H624 Y629H624-G627 PolarHBondContact O-N 2.92Å; G627-Y629 VanDerWaalsContact C-N 3.35Å; G627-Y629 PolarHBondContact O-N 3Å
628K87Confident85.1Confident168 Ų16869.7 Ų69.773%0.7341%0.407SS*.SBendtrans-77.2-5.7-171.3-65.4-173.6-180-171.80116.6T626T626-K628 HydrophobicContact CG2-CD 4.21Å; T626-K628 HydrophobicContact CG2-CG 4.26Å; T626-K628 PolarHBondContact O-N 3.12Å
629Y84.4Confident85.3Confident141 Ų14167.6 Ų67.655%0.55338%0.379SS*.  trans-136.6140.8-178.2-49.1-72.4000110.6G623 H624 G627 T631G623-Y629 CarbonylContact C-O 3.49Å; G623-Y629 VanDerWaalsContact CA-O 3.31Å; G623-Y629 WeakPolarHBondContact CA-O 3.42Å; H624-Y629 HydrophobicContact CB-CD2 4.04Å; H624-Y629 AromaticContact CD2-CD2 3.81Å; H624-Y629 AromaticContact CG-CD2 3.68Å; H624-Y629 PolarHBondContact N-O 3.48Å; H624-Y629 AromaticContact ND1-CD2 3.79Å; G627-Y629 VanDerWaalsContact C-N 3.35Å; G627-Y629 PolarHBondContact O-N 3Å; Y629-T631 PolarHBondContact O-N 3.17Å
630L85.3Confident84.7Confident159 Ų15971.8 Ų71.883%0.83240%0.4SS*.SBendtrans-72.9-15179.1-64.4174000113.5G623G623-L630 PolarHBondContact N-O 2.74Å
631T89.1Confident83.5Confident83 Ų8370.1 Ų70.151%0.50939%0.393SS..BIsolated β-bridgetrans-145.3156.7177.861.70000111.8G621 G623 Y629G621-T631 CarbonylContact O-C 3.57Å; G621-T631 WeakPolarHBondContact O-CA 3.48Å; G621-T631 WeakPolarHBondContact O-CB 3.5Å; G623-T631 CarbonylContact O-C 3.51Å; G623-T631 WeakPolarHBondContact O-CA 3.29Å; Y629-T631 PolarHBondContact O-N 3.17Å
632H91.2Very high82.3Confident8 Ų871.4 Ų71.44%0.03740%0.399CS..  trans-139.5162.5172.868.9-82.7000110.1C614 C619 G621 S622 G623 H624 C638C614-H632 WeakPolarHBondContact CB-NE2 3.32Å; C619-H632 PolarHBondContact SG-CE1 3.38Å; C619-H632 PolarHBondContact SG-NE2 3.27Å; G621-H632 WeakPolarHBondContact CA-CE1 3.41Å; G621-H632 PolarHBondContact O-N 2.83Å; G621-H632 PolarHBondContact O-ND1 3.25Å; S622-H632 PolarHBondContact O-CE1 3.43Å; S622-H632 PolarHBondContact O-ND1 3.32Å; G623-H632 WeakPolarHBondContact O-CB 3.18Å; G623-H632 PolarHBondContact O-N 2.05Å; G623-H632 PolarHBondContact O-ND1 3.43Å; H624-H632 HydrophobicContact CB-CB 4.43Å; H624-H632 VanDerWaalsContact CD2-CB 3.49Å; H624-H632 WeakPolarHBondContact CD2-CB 3.47Å; H632-C638 WeakPolarHBondContact CD2-CA 3.28Å; H632-C638 PolarHBondContact CD2-N 3.3Å; H632-C638 VanDerWaalsContact NE2-CA 3.28Å; H632-C638 WeakPolarHBondContact NE2-CA 3.17Å; H632-C638 WeakPolarHBondContact NE2-CB 3.38Å
633R88Confident81Confident166 Ų16678.6 Ų78.663%0.62642%0.419SS*.  trans-136.411.2-175.2-52.6-172.5-171.8176.40.1114.4L612L612-R633 WeakPolarHBondContact O-CG 3.29Å
634S82.6Confident79.8Confident48 Ų4884.9 Ų84.934%0.33643%0.434SS..SBendtrans-137.3152.4-177.263.30000110.8C614 S636 G637 C638C614-S634 PolarHBondContact SG-O 3.41Å; S634-S636 PolarHBondContact O-N 3.38Å; S634-S636 PolarHBondContact OG-OG 3.32Å; S634-G637 WeakPolarHBondContact O-CA 3.37Å; S634-G637 PolarHBondContact O-N 3.23Å; S634-G637 PolarHBondContact OG-N 3.16Å; S634-C638 PolarHBondContact O-N 3.41Å
635V83.3Confident78.6Confident81 Ų8186.2 Ų86.249%0.49145%0.445SS..G310 helixtrans-51.8-43.2175.4-1740000111P615 V616 G637 C638P615-V635 HydrophobicContact CG-CG2 3.98Å; V616-V635 HydrophobicContact CG2-CB 4.11Å; V616-V635 HydrophobicContact CG2-CG1 3.9Å; V616-V635 HydrophobicContact CG2-CG2 3.92Å; V635-G637 PolarHBondContact O-N 3.27Å; V635-G637 VanDerWaalsContact O-N 3.15Å; V635-C638 PolarHBondContact O-N 2.81Å
636S82.4Confident77.8Confident92 Ų9288.3 Ų88.364%0.64345%0.451SS*.G310 helixtrans-63.8-13.1176.254.10000115.3I625 S634I625-S636 WeakPolarHBondContact CG2-O 3.13Å; S634-S636 PolarHBondContact O-N 3.38Å; S634-S636 PolarHBondContact OG-OG 3.32Å
637G83.2Confident77.1Confident1 Ų190.3 Ų90.31%0.0146%0.456CS..G310 helixtrans-105.2-19.4178.700000114.1H624 I625 S634 V635H624-G637 CarbonylContact C-O 3.22Å; H624-G637 WeakPolarHBondContact CA-O 3.39Å; I625-G637 PolarHBondContact N-O 2.8Å; S634-G637 WeakPolarHBondContact O-CA 3.37Å; S634-G637 PolarHBondContact O-N 3.23Å; S634-G637 PolarHBondContact OG-N 3.16Å; V635-G637 PolarHBondContact O-N 3.27Å; V635-G637 VanDerWaalsContact O-N 3.15Å
638C84.4Confident76.6Confident0 Ų093 Ų930%045%0.454CS..  trans-71.6132.6-173.7-174.70000112.3C619 H632 S634 V635 L640 P641 T642C619-C638 HydrophobicContact CB-CB 4.43Å; C619-C638 WeakPolarHBondContact CB-SG 3.24Å; C619-C638 WeakPolarHBondContact SG-CB 3.21Å; C619-C638 CovalentContact SG-SG 2.06Å; C619-C638 PolarHBondContact SG-SG 2.86Å; H632-C638 WeakPolarHBondContact CD2-CA 3.28Å; H632-C638 PolarHBondContact CD2-N 3.3Å; H632-C638 VanDerWaalsContact NE2-CA 3.28Å; H632-C638 WeakPolarHBondContact NE2-CA 3.17Å; H632-C638 WeakPolarHBondContact NE2-CB 3.38Å; S634-C638 PolarHBondContact O-N 3.41Å; V635-C638 PolarHBondContact O-N 2.81Å; C638-L640 VanDerWaalsContact C-N 3.33Å; C638-L640 PolarHBondContact SG-N 2.86Å; C638-L640 VanDerWaalsContact SG-N 3.45Å; C638-P641 VanDerWaalsContact CB-CD 3.47Å; C638-P641 HydrophobicContact CB-CG 3.81Å; C638-P641 WeakPolarHBondContact SG-CD 3.42Å; C638-T642 WeakPolarHBondContact O-CB 2.96Å; C638-T642 PolarHBondContact O-OG1 3.19Å
639P84.1Confident75.9Confident38 Ų3889.7 Ų89.725%0.24744%0.444CS..Hα-helixtrans-68.1-3217527-32.8000112.6T642 R643P639-T642 PolarHBondContact O-N 3.4Å; P639-R643 PolarHBondContact O-N 3.01Å
640L73Confident75.6Confident93 Ų9387.4 Ų87.449%0.48744%0.438SS..Hα-helixtrans-67.4-51.2-171.5-66.2157.6000114.9C619 C638 T642C619-L640 HydrophobicContact CB-CD1 4.06Å; C638-L640 VanDerWaalsContact C-N 3.33Å; C638-L640 PolarHBondContact SG-N 2.86Å; C638-L640 VanDerWaalsContact SG-N 3.45Å; L640-T642 VanDerWaalsContact C-N 3.34Å
641P60.4Low75.1Confident31 Ų3182 Ų8220%0.20142%0.417CS..Hα-helixtrans-70.2-36.6172.430.7-33.9000110.1V616 C638 R643 R644 T645V616-P641 HydrophobicContact CG1-CB 4.44Å; V616-P641 HydrophobicContact CG1-CG 4.15Å; V616-P641 HydrophobicContact CG2-CG 4.2Å; C638-P641 VanDerWaalsContact CB-CD 3.47Å; C638-P641 HydrophobicContact CB-CG 3.81Å; C638-P641 WeakPolarHBondContact SG-CD 3.42Å; P641-R643 VanDerWaalsContact C-N 3.32Å; P641-R643 PolarHBondContact O-N 3.43Å; P641-R644 PolarHBondContact O-N 2.9Å; P641-T645 WeakPolarHBondContact O-CB 3.39Å; P641-T645 PolarHBondContact O-N 2.9Å; P641-T645 PolarHBondContact O-OG1 2.96Å; P641-T645 VanDerWaalsContact O-OG1 3.08Å
642T59.6Low74.5Confident33 Ų3381 Ų8120%0.20242%0.416CS..Hα-helixtrans-72.4-23.3-171.5-42.20000113.3I625 C638 P639 L640 K646I625-T642 HydrophobicContact CD1-CG2 3.4Å; I625-T642 HydrophobicContact CG1-CG2 3.66Å; C638-T642 WeakPolarHBondContact O-CB 2.96Å; C638-T642 PolarHBondContact O-OG1 3.19Å; P639-T642 PolarHBondContact O-N 3.4Å; L640-T642 VanDerWaalsContact C-N 3.34Å; T642-K646 WeakPolarHBondContact O-CB 3.32Å; T642-K646 PolarHBondContact O-N 3.42Å
643R59.1Low73.9Confident201 Ų20186.4 Ų86.476%0.75844%0.442SS*.Hα-helixtrans-64.4-56.5167.1-79.2-172176.7-170.8-0.3111.1P639 P641 T645 K646 M647P639-R643 PolarHBondContact O-N 3.01Å; P641-R643 VanDerWaalsContact C-N 3.32Å; P641-R643 PolarHBondContact O-N 3.43Å; R643-T645 PolarHBondContact O-N 2.75Å; R643-K646 PolarHBondContact O-N 2.82Å; R643-M647 WeakPolarHBondContact O-CB 3.38Å; R643-M647 VanDerWaalsContact O-CG 3.3Å; R643-M647 WeakPolarHBondContact O-CG 3.5Å; R643-M647 PolarHBondContact O-N 3.35Å
644R58.5Low73.4Confident161 Ų16185.2 Ų85.261%0.60844%0.441SS*.Hα-helixtrans-55.7-49.9176-85.2-175168.7111.8-9.4111.7P641 K646 M647 L648 E894P641-R644 PolarHBondContact O-N 2.9Å; R644-K646 PolarHBondContact O-N 3.3Å; R644-M647 PolarHBondContact O-N 3.44Å; R644-L648 WeakPolarHBondContact O-CB 3.17Å; R644-L648 WeakPolarHBondContact O-CG 3.34Å; R644-L648 PolarHBondContact O-N 2.89Å; R644-E894 IonicContact CZ-OE2 2.84Å; R644-E894 IonicContact NE-OE2 3.86Å; R644-E894 PolarHBondContact NE-OE2 3.1Å; R644-E894 IonicContact NH2-OE1 3.76Å; R644-E894 IonicContact NH2-OE2 2.99Å; R644-E894 PolarHBondContact NH2-OE2 3.48Å
645T64.2Low72.9Confident73 Ų7390.9 Ų90.945%0.44846%0.455SS..Hα-helixtrans-63.7-40.1179.5-53.90000112.9P641 R643 L649P641-T645 WeakPolarHBondContact O-CB 3.39Å; P641-T645 PolarHBondContact O-N 2.9Å; P641-T645 PolarHBondContact O-OG1 2.96Å; P641-T645 VanDerWaalsContact O-OG1 3.08Å; R643-T645 PolarHBondContact O-N 2.75Å; T645-L649 HydrophobicContact CG2-CD1 4.06Å; T645-L649 WeakPolarHBondContact O-CB 3.32Å; T645-L649 WeakPolarHBondContact O-CD1 3.48Å; T645-L649 PolarHBondContact O-N 2.89Å
646K66.9Low72.2Confident128 Ų12891.9 Ų91.956%0.55745%0.454SS*.Hα-helixtrans-68.3-40.4176.4-173.1-172.6175.1-1640111.4T642 R643 R644 L649 Q650T642-K646 WeakPolarHBondContact O-CB 3.32Å; T642-K646 PolarHBondContact O-N 3.42Å; R643-K646 PolarHBondContact O-N 2.82Å; R644-K646 PolarHBondContact O-N 3.3Å; K646-L649 PolarHBondContact O-N 2.82Å; K646-Q650 HydrophobicContact CG-CG 4.4Å; K646-Q650 WeakPolarHBondContact O-CB 3.39Å; K646-Q650 WeakPolarHBondContact O-CG 3.49Å; K646-Q650 PolarHBondContact O-N 3.37Å
647M68.8Low71.9Confident124 Ų12490.9 Ų90.961%0.61144%0.439SS*.Hα-helixtrans-61.9-46.5174.7-71.2-61.6-72.700111.2R643 R644 L649 Q650 A651R643-M647 WeakPolarHBondContact O-CB 3.38Å; R643-M647 VanDerWaalsContact O-CG 3.3Å; R643-M647 WeakPolarHBondContact O-CG 3.5Å; R643-M647 PolarHBondContact O-N 3.35Å; R644-M647 PolarHBondContact O-N 3.44Å; M647-L649 PolarHBondContact O-N 3.31Å; M647-Q650 PolarHBondContact O-N 3.05Å; M647-A651 VanDerWaalsContact O-CB 3.31Å; M647-A651 WeakPolarHBondContact O-CB 3.48Å; M647-A651 PolarHBondContact O-N 3.3Å
648L72.8Confident71.3Confident123 Ų12394.3 Ų94.364%0.64446%0.458SS*.Hα-helixtrans-61.5-41.7175.5-71.8170.4000112.5R644 A651 A652R644-L648 WeakPolarHBondContact O-CB 3.17Å; R644-L648 WeakPolarHBondContact O-CG 3.34Å; R644-L648 PolarHBondContact O-N 2.89Å; L648-A651 PolarHBondContact O-N 3.43Å; L648-A652 WeakPolarHBondContact O-CB 3.46Å; L648-A652 PolarHBondContact O-N 2.94Å
649L73.6Confident70.5Confident99 Ų99103.7 Ų103.752%0.51849%0.493SS..Hα-helixtrans-67-38.4174.5-97.268.7000112.4T645 K646 M647 Q653T645-L649 HydrophobicContact CG2-CD1 4.06Å; T645-L649 WeakPolarHBondContact O-CB 3.32Å; T645-L649 WeakPolarHBondContact O-CD1 3.48Å; T645-L649 PolarHBondContact O-N 2.89Å; K646-L649 PolarHBondContact O-N 2.82Å; M647-L649 PolarHBondContact O-N 3.31Å; L649-Q653 VanDerWaalsContact O-CB 3.3Å; L649-Q653 WeakPolarHBondContact O-CB 3.46Å; L649-Q653 WeakPolarHBondContact O-CG 3.34Å; L649-Q653 PolarHBondContact O-N 3.21Å
650Q76.5Confident69.5Low94 Ų94109.5 Ų109.544%0.43951%0.51SS..Hα-helixtrans-70.2-35.8175.6-74.6-172.1-7900111.9K646 M647 Q653 K654K646-Q650 HydrophobicContact CG-CG 4.4Å; K646-Q650 WeakPolarHBondContact O-CB 3.39Å; K646-Q650 WeakPolarHBondContact O-CG 3.49Å; K646-Q650 PolarHBondContact O-N 3.37Å; M647-Q650 PolarHBondContact O-N 3.05Å; Q650-Q653 PolarHBondContact O-N 3.45Å; Q650-K654 VanDerWaalsContact O-CB 3.28Å; Q650-K654 WeakPolarHBondContact O-CB 3.42Å; Q650-K654 PolarHBondContact O-N 2.96Å
651A75Confident69Low46 Ų46111.9 Ų111.938%0.3852%0.516SS..Hα-helixtrans-65.9-45172.900000111.2M647 L648 Q653 K654 R655M647-A651 VanDerWaalsContact O-CB 3.31Å; M647-A651 WeakPolarHBondContact O-CB 3.48Å; M647-A651 PolarHBondContact O-N 3.3Å; L648-A651 PolarHBondContact O-N 3.43Å; A651-Q653 VanDerWaalsContact C-N 3.35Å; A651-Q653 PolarHBondContact O-N 2.74Å; A651-K654 PolarHBondContact O-N 3.38Å; A651-R655 WeakPolarHBondContact O-CB 3.36Å; A651-R655 WeakPolarHBondContact O-CG 3.37Å; A651-R655 PolarHBondContact O-N 2.96Å
652A76.1Confident69Low60 Ų60116.8 Ų116.850%0.49654%0.54SS..Hα-helixtrans-61.9-40.8173.400000112.1L648 H656L648-A652 WeakPolarHBondContact O-CB 3.46Å; L648-A652 PolarHBondContact O-N 2.94Å; A652-H656 WeakPolarHBondContact O-CB 3.3Å; A652-H656 PolarHBondContact O-N 3.45Å
653Q78.7Confident68.2Low123 Ų123121.5 Ų121.558%0.57556%0.563SS**Hα-helixtrans-66.3-42.7174.3-74.9168.92.300112.2L649 Q650 A651 H656 E657L649-Q653 VanDerWaalsContact O-CB 3.3Å; L649-Q653 WeakPolarHBondContact O-CB 3.46Å; L649-Q653 WeakPolarHBondContact O-CG 3.34Å; L649-Q653 PolarHBondContact O-N 3.21Å; Q650-Q653 PolarHBondContact O-N 3.45Å; A651-Q653 VanDerWaalsContact C-N 3.35Å; A651-Q653 PolarHBondContact O-N 2.74Å; Q653-H656 PolarHBondContact O-N 2.77Å; Q653-E657 VanDerWaalsContact O-CB 3.25Å; Q653-E657 WeakPolarHBondContact O-CB 3.04Å; Q653-E657 PolarHBondContact O-N 3.22Å
654K79.1Confident67.6Low140 Ų140117.2 Ų117.261%0.60956%0.561SS**Hα-helixtrans-66.2-40.2176.4-166.9-179.5-179.7-171.30111.3Q650 A651 E657 N658Q650-K654 VanDerWaalsContact O-CB 3.28Å; Q650-K654 WeakPolarHBondContact O-CB 3.42Å; Q650-K654 PolarHBondContact O-N 2.96Å; A651-K654 PolarHBondContact O-N 3.38Å; K654-E657 PolarHBondContact O-N 3.46Å; K654-N658 WeakPolarHBondContact O-CB 3.42Å; K654-N658 PolarHBondContact O-N 2.89Å
655R71.7Confident66.8Low168 Ų168117.3 Ų117.363%0.63457%0.568SS**Hα-helixtrans-61-44.5170.5-76.6-179.1172.5165.61.5111A651 E657 R659 E888A651-R655 WeakPolarHBondContact O-CB 3.36Å; A651-R655 WeakPolarHBondContact O-CG 3.37Å; A651-R655 PolarHBondContact O-N 2.96Å; R655-E657 PolarHBondContact O-N 2.81Å; R655-R659 WeakPolarHBondContact O-CB 3.38Å; R655-R659 PolarHBondContact O-N 2.86Å; R655-E888 IonicContact NH2-OE1 2.78Å; R655-E888 PolarHBondContact NH2-OE1 2.71Å
656H68.7Low65.7Low101 Ų101121.6 Ų121.647%0.46858%0.582SS.*Hα-helixtrans-68.6-32.4177.1-162.2-41.2000113.1A652 Q653 R660A652-H656 WeakPolarHBondContact O-CB 3.3Å; A652-H656 PolarHBondContact O-N 3.45Å; Q653-H656 PolarHBondContact O-N 2.77Å; H656-R660 PolarHBondContact O-N 2.9Å
657E75.1Confident64.3Low72 Ų72121.2 Ų121.234%0.33659%0.587SS.*Hα-helixtrans-77.5-43178.7-177.761.2-170.100112Q653 K654 R655 R659 R660 K661Q653-E657 VanDerWaalsContact O-CB 3.25Å; Q653-E657 WeakPolarHBondContact O-CB 3.04Å; Q653-E657 PolarHBondContact O-N 3.22Å; K654-E657 PolarHBondContact O-N 3.46Å; R655-E657 PolarHBondContact O-N 2.81Å; E657-R659 VanDerWaalsContact C-N 3.28Å; E657-R659 PolarHBondContact O-N 3.4Å; E657-R660 WeakPolarHBondContact O-CB 3.47Å; E657-R660 PolarHBondContact O-N 3.31Å; E657-R660 IonicContact OE2-NH1 3.54Å; E657-K661 HydrophobicContact CG-CD 4.34Å; E657-K661 PolarHBondContact O-N 3.47Å; E657-K661 VanDerWaalsContact O-N 3.07Å; E657-K661 VanDerWaalsContact OE1-CE 3.26Å; E657-K661 WeakPolarHBondContact OE1-CE 3.43Å; E657-K661 IonicContact OE1-NZ 3.84Å; E657-K661 PolarHBondContact OE1-NZ 2.82Å
658N70.9Confident63.2Low73 Ų73121.2 Ų121.239%0.3959%0.594SS.*Hα-helixtrans-61-39.2170.6-7711000110.8K654 R660 K661 I662K654-N658 WeakPolarHBondContact O-CB 3.42Å; K654-N658 PolarHBondContact O-N 2.89Å; N658-R660 PolarHBondContact O-N 2.99Å; N658-K661 PolarHBondContact O-N 3.39Å; N658-I662 HydrophobicContact CB-CD1 4.2Å; N658-I662 WeakPolarHBondContact O-CB 3.49Å; N658-I662 VanDerWaalsContact O-CG1 3.32Å; N658-I662 WeakPolarHBondContact O-CG1 3.32Å; N658-I662 PolarHBondContact O-N 3.43Å
659R66.9Low61.6Low196 Ų196118.8 Ų118.874%0.7460%0.599SS**Hα-helixtrans-65.5-15.8173.8-168.9168.8-178.3-102.7-0.7114.1R655 E657R655-R659 WeakPolarHBondContact O-CB 3.38Å; R655-R659 PolarHBondContact O-N 2.86Å; E657-R659 VanDerWaalsContact C-N 3.28Å; E657-R659 PolarHBondContact O-N 3.4Å
660R63.7Low59.7Low160 Ų160117.4 Ų117.460%0.60460%0.597SS**Hα-helixtrans-87-30.4166.9-73.7177.3178.8139.70.4113.1H656 E657 N658H656-R660 PolarHBondContact O-N 2.9Å; E657-R660 WeakPolarHBondContact O-CB 3.47Å; E657-R660 PolarHBondContact O-N 3.31Å; E657-R660 IonicContact OE2-NH1 3.54Å; N658-R660 PolarHBondContact O-N 2.99Å
661K63.4Low57.9Low144 Ų144117.8 Ų117.863%0.62661%0.61SS**Hα-helixtrans-83.1-25.7-178.8-75.6164167.7147.10114E657 N658E657-K661 HydrophobicContact CG-CD 4.34Å; E657-K661 PolarHBondContact O-N 3.47Å; E657-K661 VanDerWaalsContact O-N 3.07Å; E657-K661 VanDerWaalsContact OE1-CE 3.26Å; E657-K661 WeakPolarHBondContact OE1-CE 3.43Å; E657-K661 IonicContact OE1-NZ 3.84Å; E657-K661 PolarHBondContact OE1-NZ 2.82Å; N658-K661 PolarHBondContact O-N 3.39Å
662I59.3Low56.3Low134 Ų134120.7 Ų120.769%0.68763%0.627SS**SBendtrans-90.4-10.7-179.6-64165.7000111.8N658 P664N658-I662 HydrophobicContact CB-CD1 4.2Å; N658-I662 WeakPolarHBondContact O-CB 3.49Å; N658-I662 VanDerWaalsContact O-CG1 3.32Å; N658-I662 WeakPolarHBondContact O-CG1 3.32Å; N658-I662 PolarHBondContact O-N 3.43Å; I662-P664 WeakPolarHBondContact O-CD 3.31Å
663L42.6Very low54.7Low131 Ų131123.2 Ų123.269%0.68664%0.638SS**SBendtrans-87.8118.1177.6-167.270.4000110.5H665L663-H665 PolarHBondContact O-N 2.86Å
664P47Very low52.5Low111 Ų111124.2 Ų124.272%0.72165%0.647SS**  trans-64.2136.1179-2234.2000112.1I662 H666I662-P664 WeakPolarHBondContact O-CD 3.31Å; P664-H666 PolarHBondContact O-N 3.44Å
665H42.8Very low50.4Low163 Ų163125.4 Ų125.476%0.75566%0.655SS**  trans-72.294.7174.7-128.9-97.3000109.6L663 D667L663-H665 PolarHBondContact O-N 2.86Å; H665-D667 VanDerWaalsContact C-N 3.25Å; H665-D667 IonicContact CE1-OD1 3.94Å; H665-D667 IonicContact CE1-OD2 3.26Å; H665-D667 IonicContact CG-OD2 2.74Å; H665-D667 IonicContact ND1-OD1 2.89Å; H665-D667 PolarHBondContact ND1-OD1 2.77Å; H665-D667 IonicContact ND1-OD2 3.48Å; H665-D667 PolarHBondContact ND1-OD2 2.58Å; H665-D667 PolarHBondContact O-N 3.29Å
666H39.5Very low49.1Very low163 Ų163123.3 Ų123.376%0.75567%0.666SS**  trans-83.269.1178.9-171.2-73.5000110.8P664 T668P664-H666 PolarHBondContact O-N 3.44Å; H666-T668 PolarHBondContact O-N 2.86Å; H666-T668 VanDerWaalsContact O-N 3.14Å
667D39Very low47.5Very low121 Ų121126.6 Ų126.665%0.64769%0.687SS**  trans-74100.2-179.4-67.6-45.6000111.5H665 G669H665-D667 VanDerWaalsContact C-N 3.25Å; H665-D667 IonicContact CE1-OD1 3.94Å; H665-D667 IonicContact CE1-OD2 3.26Å; H665-D667 IonicContact CG-OD2 2.74Å; H665-D667 IonicContact ND1-OD1 2.89Å; H665-D667 PolarHBondContact ND1-OD1 2.77Å; H665-D667 IonicContact ND1-OD2 3.48Å; H665-D667 PolarHBondContact ND1-OD2 2.58Å; H665-D667 PolarHBondContact O-N 3.29Å; D667-G669 VanDerWaalsContact C-N 3.3Å; D667-G669 PolarHBondContact O-N 2.95Å
668T45.4Very low46Very low123 Ų123133.3 Ų133.376%0.75571%0.714SS**  trans-73.281.6174.150.70000111.2H666H666-T668 PolarHBondContact O-N 2.86Å; H666-T668 VanDerWaalsContact O-N 3.14Å
669G37.8Very low44.5Very low73 Ų73134.4 Ų134.475%0.75373%0.728SS**  trans-74-164.1-167.100000119.2D667D667-G669 VanDerWaalsContact C-N 3.3Å; D667-G669 PolarHBondContact O-N 2.95Å
670C34.7Very low43.4Very low70 Ų70131.5 Ų131.547%0.47373%0.727SS.*  trans-145.9129.4167.4-171.50000111.7S267S267-C670 WeakPolarHBondContact CB-SG 3.44Å
671S37.6Very low42.4Very low102 Ų102129.9 Ų129.971%0.71373%0.731SS**  trans-7153151.4-52.80000120.9
672S42.4Very low41.5Very low106 Ų106131.8 Ų131.874%0.74174%0.739SS**  cis-160.8-139-12.5-83.90000109.8
673P43.3Very low40.5Very low114 Ų114133.8 Ų133.874%0.7475%0.745SS**  -127.5167.1-108.441-24.2000116.5
674N32.4Very low40.3Very low143 Ų143132.1 Ų132.177%0.76574%0.742SS**  167.7166.1104.87417.2000116.3
675E34.4Very low39.7Very low166 Ų166134.6 Ų134.678%0.77674%0.744SS**  trans45.393.6145.2-59.3-9698.400120.8
676S44.1Very low39.5Very low123 Ų123135.7 Ų135.786%0.8675%0.749SS**  -176110106-830000113.5
677L35.2Very low39.3Very low171 Ų171132.1 Ų132.190%0.89575%0.747SS**  trans-78.7134.6167.6-78.6154.1000111.3
678K42.7Very low39.3Very low212 Ų212131.4 Ų131.492%0.92276%0.758SS**  trans-155.6116.7144.4-109.2143.6-170.3165.90110.8
679S39.8Very low38.8Very low97 Ų97134.3 Ų134.368%0.67876%0.763SS**  trans-87.4159.8178.452.80000111.5
680N43.5Very low38.8Very low134 Ų134135.6 Ų135.672%0.71776%0.758SS**  -178.7158.6106.6-93.21.8000114.7
681D43.8Very low38.9Very low127 Ų127139.6 Ų139.668%0.67978%0.775SS**  trans80.3113.4149-78.1-51.2000122.2
682K44.4Very low38.7Very low183 Ų183142.8 Ų142.880%0.79678%0.779SS**  trans97.876.4136.9-66.5164.1-171.7170.50120.9
683Q37.6Very low38.7Very low177 Ų177142.9 Ų142.983%0.82778%0.777SS**  trans-52170.3130.5-116.5-170.7-15.900112.2
684P39.5Very low38.5Very low95 Ų95143.2 Ų143.262%0.61778%0.779SS**  -155.9-179.350.544.8-23.2000120.2
685H33.7Very low38.5Very low163 Ų163143.3 Ų143.376%0.75578%0.778SS**  trans66.5110.3153.8-58.9-46.7000122.3
686H39.3Very low38.4Very low187 Ų187144.3 Ų144.387%0.86679%0.785SS**  -179.9134.4117.3-93.7-79.6000106
687A34.9Very low38.3Very low87 Ų87145.1 Ų145.172%0.71978%0.779SS**  cis108.3126.914.700000113.4
688A39.6Very low38.4Very low106 Ų106142.2 Ų142.288%0.87677%0.771SS**  trans93.4146.7-179.800000118.5
689Q34.8Very low38.7Very low185 Ų185140.5 Ų140.586%0.86476%0.759SS**  trans-131.5164.2177.1-78.9-110.1-77.400105.1
690P37.7Very low39.5Very low100 Ų100138.3 Ų138.365%0.64974%0.744SS**  cis-148.4-153.644.342.2-18.9000115.5
691D35.8Very low40.1Very low154 Ų154139.8 Ų139.882%0.82475%0.746SS**  trans79.9114.9167.7-54.9-26.4000117.5
692E32.9Very low41.4Very low168 Ų168141.1 Ų141.179%0.78575%0.746SS**  trans-118.1114-169.7-180179.6-168.400110.1
693P43.9Very low42.1Very low109 Ų109137 Ų13771%0.70873%0.729SS**PPolyproline II helixtrans-74.4143.3172.330.5-33.1000110.7
694P38.9Very low43.2Very low120 Ų120131.4 Ų131.478%0.77971%0.708SS**PPolyproline II helixtrans-69.7139.1-167.827.1-35.3000113.4M696P694-M696 PolarHBondContact O-N 3.17Å
695I31.1Very low44.6Very low146 Ų146131.2 Ų131.275%0.74970%0.7SS**PPolyproline II helixtrans-55.3117.5170.8-60.3167.6000109.2N697I695-N697 PolarHBondContact O-N 3.2Å
696M33.4Very low46.3Very low187 Ų187128 Ų12892%0.92169%0.689SS**  trans-7096.7174.6-67.7-159.980.400110.5P694P694-M696 PolarHBondContact O-N 3.17Å
697N41.5Very low47.2Very low139 Ų139124 Ų12474%0.74367%0.669SS**  trans-56158.3170.4-125.62.3000110.8I695I695-N697 PolarHBondContact O-N 3.2Å
698P37.8Very low48.6Very low110 Ų110124.5 Ų124.571%0.71466%0.659SS**SBendtrans-61.8145.617528.8-33.6000110.1S700P698-S700 PolarHBondContact O-N 3.28Å
699R49Very low50Low176 Ų176125.1 Ų125.166%0.66464%0.644SS**  trans-41.2128.4179.2-90.1-176.7168.7179.3-6111
700S56.4Low51.6Low52 Ų52122.3 Ų122.336%0.36463%0.631SS.*  trans-61.1151.5175.165.60000110.6P698 K702 E703 T704P698-S700 PolarHBondContact O-N 3.28Å; S700-K702 PolarHBondContact O-N 2.72Å; S700-E703 WeakPolarHBondContact CB-OE2 3.03Å; S700-E703 PolarHBondContact N-OE2 2.82Å; S700-E703 PolarHBondContact O-N 3.46Å; S700-E703 VanDerWaalsContact O-N 3.1Å; S700-E703 VanDerWaalsContact OG-CG 3.31Å; S700-E703 WeakPolarHBondContact OG-CG 3.39Å; S700-E703 PolarHBondContact OG-N 2.87Å; S700-E703 PolarHBondContact OG-OE2 2.86Å; S700-T704 PolarHBondContact O-N 3.15Å; S700-T704 VanDerWaalsContact O-N 3.14Å; S700-T704 PolarHBondContact O-OG1 3.16Å
701E55.7Low52.4Low165 Ų165120.2 Ų120.277%0.77162%0.618SS**Hα-helixtrans-55.5-33.8173.9-167.3165.4-145.600110.8T704 I705E701-T704 PolarHBondContact O-N 2.78Å; E701-I705 HydrophobicContact CG-CD1 4.22Å; E701-I705 VanDerWaalsContact O-CG1 3.27Å; E701-I705 WeakPolarHBondContact O-CG1 3.14Å; E701-I705 PolarHBondContact O-N 3.21Å
702K70.6Confident53.5Low155 Ų155118.1 Ų118.167%0.67460%0.603SS**Hα-helixtrans-66.5-39.7176.4-159.3169.9-173.51760113.8S700 T704 I705 N706S700-K702 PolarHBondContact O-N 2.72Å; K702-T704 VanDerWaalsContact C-N 3.31Å; K702-I705 PolarHBondContact O-N 2.76Å; K702-N706 WeakPolarHBondContact O-CB 3.27Å; K702-N706 VanDerWaalsContact O-CG 3.27Å; K702-N706 PolarHBondContact O-N 3.37Å; K702-N706 PolarHBondContact O-OD1 3.33Å
703E60.9Low55.2Low96 Ų96115.6 Ų115.645%0.44960%0.599SS.*Hα-helixtrans-67.8-33.8172.5-72161117.800112S700 N706 F707S700-E703 WeakPolarHBondContact CB-OE2 3.03Å; S700-E703 PolarHBondContact N-OE2 2.82Å; S700-E703 PolarHBondContact O-N 3.46Å; S700-E703 VanDerWaalsContact O-N 3.1Å; S700-E703 VanDerWaalsContact OG-CG 3.31Å; S700-E703 WeakPolarHBondContact OG-CG 3.39Å; S700-E703 PolarHBondContact OG-N 2.87Å; S700-E703 PolarHBondContact OG-OE2 2.86Å; E703-N706 PolarHBondContact O-N 3.48Å; E703-F707 WeakPolarHBondContact O-CB 3.38Å; E703-F707 PolarHBondContact O-N 3.02Å
704T59.4Low56Low60 Ų60114.4 Ų114.437%0.36860%0.598SS.*Hα-helixtrans-70.5-39.1176.6-53.20000111.2S700 E701 K702 L708S700-T704 PolarHBondContact O-N 3.15Å; S700-T704 VanDerWaalsContact O-N 3.14Å; S700-T704 PolarHBondContact O-OG1 3.16Å; E701-T704 PolarHBondContact O-N 2.78Å; K702-T704 VanDerWaalsContact C-N 3.31Å; T704-L708 HydrophobicContact CG2-CD1 4.44Å; T704-L708 WeakPolarHBondContact O-CB 3.34Å; T704-L708 WeakPolarHBondContact O-CG 3.35Å; T704-L708 PolarHBondContact O-N 3.05Å
705I69.6Low56.8Low91 Ų91111.7 Ų111.747%0.46758%0.576SS.*Hα-helixtrans-63.3-47.4171.1-70.4162.4000110.6E701 K702 F707 L708 Q709E701-I705 HydrophobicContact CG-CD1 4.22Å; E701-I705 VanDerWaalsContact O-CG1 3.27Å; E701-I705 WeakPolarHBondContact O-CG1 3.14Å; E701-I705 PolarHBondContact O-N 3.21Å; K702-I705 PolarHBondContact O-N 2.76Å; I705-F707 PolarHBondContact O-N 3.03Å; I705-L708 PolarHBondContact O-N 2.82Å; I705-Q709 WeakPolarHBondContact O-CB 3.3Å; I705-Q709 PolarHBondContact O-N 3.17Å
706N70Confident58.6Low96 Ų96108.7 Ų108.751%0.51357%0.566SS.*Hα-helixtrans-57.6-47.7177.4-75.85.5000111.5K702 E703 L708 Q709 E710K702-N706 WeakPolarHBondContact O-CB 3.27Å; K702-N706 VanDerWaalsContact O-CG 3.27Å; K702-N706 PolarHBondContact O-N 3.37Å; K702-N706 PolarHBondContact O-OD1 3.33Å; E703-N706 PolarHBondContact O-N 3.48Å; N706-L708 VanDerWaalsContact C-N 3.33Å; N706-L708 PolarHBondContact O-N 3.28Å; N706-Q709 PolarHBondContact O-N 2.93Å; N706-Q709 VanDerWaalsContact O-N 3.11Å; N706-E710 VanDerWaalsContact O-CB 3.3Å; N706-E710 WeakPolarHBondContact O-CB 3.26Å; N706-E710 PolarHBondContact O-N 2.96Å
707F58.1Low60Low103 Ų103103.4 Ų103.445%0.45255%0.552SS.*Hα-helixtrans-62.6-37177.4-178.6-104.3000112.8E703 I705 Q709 C711E703-F707 WeakPolarHBondContact O-CB 3.38Å; E703-F707 PolarHBondContact O-N 3.02Å; I705-F707 PolarHBondContact O-N 3.03Å; F707-Q709 VanDerWaalsContact C-N 3.34Å; F707-C711 WeakPolarHBondContact O-CB 3.48Å; F707-C711 PolarHBondContact O-N 3.32Å; F707-C711 PolarHBondContact O-SG 2.94Å
708L63.5Low61Low97 Ų97104.9 Ų104.951%0.50855%0.554SS.*Hα-helixtrans-70.4-29.4174.1-76.2170000112.9T704 I705 N706 Q712T704-L708 HydrophobicContact CG2-CD1 4.44Å; T704-L708 WeakPolarHBondContact O-CB 3.34Å; T704-L708 WeakPolarHBondContact O-CG 3.35Å; T704-L708 PolarHBondContact O-N 3.05Å; I705-L708 PolarHBondContact O-N 2.82Å; N706-L708 VanDerWaalsContact C-N 3.33Å; N706-L708 PolarHBondContact O-N 3.28Å; L708-Q712 WeakPolarHBondContact O-CG 3.31Å; L708-Q712 PolarHBondContact O-N 3.05Å; L708-Q712 PolarHBondContact O-NE2 3.29Å
709Q68.3Low62.1Low119 Ų119101.5 Ų101.556%0.55653%0.53SS*.Hα-helixtrans-78.8-39.2176.5-171.6159.6-28.500111.4I705 N706 F707 Q712 T713I705-Q709 WeakPolarHBondContact O-CB 3.3Å; I705-Q709 PolarHBondContact O-N 3.17Å; N706-Q709 PolarHBondContact O-N 2.93Å; N706-Q709 VanDerWaalsContact O-N 3.11Å; F707-Q709 VanDerWaalsContact C-N 3.34Å; Q709-Q712 WeakPolarHBondContact O-CA 3.39Å; Q709-Q712 WeakPolarHBondContact O-CB 3.5Å; Q709-Q712 PolarHBondContact O-N 2.86Å; Q709-T713 PolarHBondContact O-N 2.95Å; Q709-T713 PolarHBondContact O-OG1 3.01Å
710E69Low62.7Low126 Ų12695.1 Ų95.159%0.58951%0.509SS*.Hα-helixtrans-58.8-46.1170-175.4172.9-137.300111.3N706 Q712 T713 A714N706-E710 VanDerWaalsContact O-CB 3.3Å; N706-E710 WeakPolarHBondContact O-CB 3.26Å; N706-E710 PolarHBondContact O-N 2.96Å; E710-Q712 VanDerWaalsContact C-N 3.26Å; E710-Q712 PolarHBondContact O-N 2.9Å; E710-T713 WeakPolarHBondContact CA-OG1 3.37Å; E710-T713 PolarHBondContact O-N 3.44Å; E710-T713 PolarHBondContact O-OG1 3.32Å; E710-A714 WeakPolarHBondContact O-CB 3.39Å; E710-A714 PolarHBondContact O-N 2.98Å
711C54.4Low63Low56 Ų5698.7 Ų98.738%0.37852%0.52SS..Hα-helixtrans-61.5-30.1171.2-70.90000113.4F707 M715F707-C711 WeakPolarHBondContact O-CB 3.48Å; F707-C711 PolarHBondContact O-N 3.32Å; F707-C711 PolarHBondContact O-SG 2.94Å; C711-M715 WeakPolarHBondContact O-CG 3.29Å
712Q59.9Low62.8Low110 Ų11093.1 Ų93.151%0.51450%0.502SS..Hα-helixtrans-76.5-35.5175.3-79.4168.172.600112.3L708 Q709 E710L708-Q712 WeakPolarHBondContact O-CG 3.31Å; L708-Q712 PolarHBondContact O-N 3.05Å; L708-Q712 PolarHBondContact O-NE2 3.29Å; Q709-Q712 WeakPolarHBondContact O-CA 3.39Å; Q709-Q712 WeakPolarHBondContact O-CB 3.5Å; Q709-Q712 PolarHBondContact O-N 2.86Å; E710-Q712 VanDerWaalsContact C-N 3.26Å; E710-Q712 PolarHBondContact O-N 2.9Å
713T67Low61.9Low114 Ų11490.2 Ų90.270%0.69949%0.492SS*.Hα-helixtrans-75.4-27.2175.6460000113.3Q709 E710 M715Q709-T713 PolarHBondContact O-N 2.95Å; Q709-T713 PolarHBondContact O-OG1 3.01Å; E710-T713 WeakPolarHBondContact CA-OG1 3.37Å; E710-T713 PolarHBondContact O-N 3.44Å; E710-T713 PolarHBondContact O-OG1 3.32Å; T713-M715 VanDerWaalsContact C-N 3.25Å; T713-M715 PolarHBondContact O-N 3.13Å
714A61.3Low61.4Low84 Ų8494.5 Ų94.569%0.69450%0.504SS*.THydrogen-bonded Turntrans-77.9-4.2174.800000114.1E710E710-A714 WeakPolarHBondContact O-CB 3.39Å; E710-A714 PolarHBondContact O-N 2.98Å
715M56.8Low61.2Low63 Ų6397 Ų9731%0.3152%0.515SS..SBendtrans-93.1130178.6-68.8-100.2-76.800110.4C711 T713 A717 L719 M723C711-M715 WeakPolarHBondContact O-CG 3.29Å; T713-M715 VanDerWaalsContact C-N 3.25Å; T713-M715 PolarHBondContact O-N 3.13Å; M715-A717 PolarHBondContact O-N 3.23Å; M715-L719 HydrophobicContact CE-CD2 3.71Å; M715-L719 HydrophobicContact CE-CG 3.85Å; M715-L719 HydrophobicContact SD-CD2 3.56Å; M715-L719 VanDerWaalsContact SD-CD2 3.56Å; M715-L719 HydrophobicContact SD-CG 4.34Å; M715-M723 HydrophobicContact CE-CE 3.35Å; M715-M723 HydrophobicContact CE-SD 3.78Å
716P67.2Low59.9Low84 Ų8497.3 Ų97.355%0.54552%0.517SS..  trans-53.8138.2175.6-27.334.9000112Q718 L719 L720P716-Q718 PolarHBondContact O-N 3.44Å; P716-Q718 VanDerWaalsContact O-N 3.1Å; P716-L719 WeakPolarHBondContact O-CA 3.42Å; P716-L719 WeakPolarHBondContact O-CB 3.23Å; P716-L719 PolarHBondContact O-N 3.18Å; P716-L720 PolarHBondContact O-N 3.39Å; P716-L720 VanDerWaalsContact O-N 3.13Å
717A63.6Low59Low75 Ų75100.4 Ų100.462%0.6253%0.528SS*.Hα-helixtrans-54.5-37-174.400000113.3M715 L719 L720 Q721M715-A717 PolarHBondContact O-N 3.23Å; A717-L719 VanDerWaalsContact C-N 3.31Å; A717-L719 PolarHBondContact O-N 2.98Å; A717-L720 PolarHBondContact O-N 3.34Å; A717-Q721 WeakPolarHBondContact O-CB 3.45Å; A717-Q721 PolarHBondContact O-N 3.04Å
718Q61.8Low58.4Low170 Ų170103.3 Ų103.379%0.79455%0.547SS*.Hα-helixtrans-58.3-39.1173.8-64.8177.5-8.200112.8P716 Q721 A722P716-Q718 PolarHBondContact O-N 3.44Å; P716-Q718 VanDerWaalsContact O-N 3.1Å; Q718-Q721 PolarHBondContact O-N 3.02Å; Q718-A722 WeakPolarHBondContact O-CB 3.44Å; Q718-A722 PolarHBondContact O-N 2.88Å
719L61.2Low57.4Low39 Ų39105.6 Ų105.620%0.20455%0.554CS.*Hα-helixtrans-73.1-39.2178.1-176.560.5000111.3M715 P716 A717 Q721 A722 M723 Y753M715-L719 HydrophobicContact CE-CD2 3.71Å; M715-L719 HydrophobicContact CE-CG 3.85Å; M715-L719 HydrophobicContact SD-CD2 3.56Å; M715-L719 VanDerWaalsContact SD-CD2 3.56Å; M715-L719 HydrophobicContact SD-CG 4.34Å; P716-L719 WeakPolarHBondContact O-CA 3.42Å; P716-L719 WeakPolarHBondContact O-CB 3.23Å; P716-L719 PolarHBondContact O-N 3.18Å; A717-L719 VanDerWaalsContact C-N 3.31Å; A717-L719 PolarHBondContact O-N 2.98Å; L719-Q721 VanDerWaalsContact C-N 3.29Å; L719-Q721 PolarHBondContact O-N 3.04Å; L719-A722 PolarHBondContact O-N 2.85Å; L719-M723 WeakPolarHBondContact O-CG 3.28Å; L719-M723 PolarHBondContact O-N 2.86Å; L719-Y753 HydrophobicContact CD1-CE2 3.82Å; L719-Y753 HydrophobicContact CD2-CE2 4.44Å; L719-Y753 WeakPolarHBondContact CD2-OH 3.42Å
720L62.8Low55.8Low43 Ų43107.3 Ų107.323%0.22557%0.566CS.*Hα-helixtrans-62-38.5173.2-157.178.6000111.4P716 A717 M723 R724P716-L720 PolarHBondContact O-N 3.39Å; P716-L720 VanDerWaalsContact O-N 3.13Å; A717-L720 PolarHBondContact O-N 3.34Å; L720-M723 HydrophobicContact CD1-CE 3.86Å; L720-M723 PolarHBondContact O-N 2.68Å; L720-R724 PolarHBondContact O-N 2.78Å; L720-R724 VanDerWaalsContact O-N 3.13Å
721Q62Low54.3Low127 Ų127106 Ų10659%0.59357%0.568SS**Hα-helixtrans-72-39.9176.7-165.3156.2-18.300112.1A717 Q718 L719 M723 R724 I725A717-Q721 WeakPolarHBondContact O-CB 3.45Å; A717-Q721 PolarHBondContact O-N 3.04Å; Q718-Q721 PolarHBondContact O-N 3.02Å; L719-Q721 VanDerWaalsContact C-N 3.29Å; L719-Q721 PolarHBondContact O-N 3.04Å; Q721-M723 VanDerWaalsContact C-N 3.28Å; Q721-M723 PolarHBondContact O-N 3.4Å; Q721-R724 PolarHBondContact O-N 2.79Å; Q721-R724 VanDerWaalsContact O-N 3.15Å; Q721-I725 HydrophobicContact CG-CD1 4.32Å; Q721-I725 WeakPolarHBondContact O-CG1 3.3Å; Q721-I725 PolarHBondContact O-N 3.41Å; Q721-I725 VanDerWaalsContact O-N 3.08Å
722A51.2Low53.4Low48 Ų48108.9 Ų108.940%0.39759%0.589SS.*Hα-helixtrans-62.3-31.2172.500000113.3Q718 L719 N726Q718-A722 WeakPolarHBondContact O-CB 3.44Å; Q718-A722 PolarHBondContact O-N 2.88Å; L719-A722 PolarHBondContact O-N 2.85Å; A722-N726 PolarHBondContact O-ND2 3.41Å
723M51.9Low52.2Low93 Ų93110.8 Ų110.846%0.45860%0.6SS.*Hα-helixtrans-70.6-44.3170.1-69.3-165.7-55.700112.1M715 L719 L720 Q721 I725 N726M715-M723 HydrophobicContact CE-CE 3.35Å; M715-M723 HydrophobicContact CE-SD 3.78Å; L719-M723 WeakPolarHBondContact O-CG 3.28Å; L719-M723 PolarHBondContact O-N 2.86Å; L720-M723 HydrophobicContact CD1-CE 3.86Å; L720-M723 PolarHBondContact O-N 2.68Å; Q721-M723 VanDerWaalsContact C-N 3.28Å; Q721-M723 PolarHBondContact O-N 3.4Å; M723-I725 PolarHBondContact O-N 2.82Å; M723-N726 PolarHBondContact O-N 3.36Å; M723-N726 VanDerWaalsContact O-N 3.09Å
724R50.5Low50.6Low186 Ų186114.8 Ų114.870%0.70261%0.608SS**Hα-helixtrans-61-30.2177.9-76.1-179.9176.6169.80.3113.8L720 Q721 N726L720-R724 PolarHBondContact O-N 2.78Å; L720-R724 VanDerWaalsContact O-N 3.13Å; Q721-R724 PolarHBondContact O-N 2.79Å; Q721-R724 VanDerWaalsContact O-N 3.15Å; R724-N726 VanDerWaalsContact C-N 3.34Å
725I54.9Low49.3Very low114 Ų114114.4 Ų114.459%0.58561%0.612SS**Hα-helixtrans-74.9-25.1177.9-67163.6000111.5Q721 M723 Q727Q721-I725 HydrophobicContact CG-CD1 4.32Å; Q721-I725 WeakPolarHBondContact O-CG1 3.3Å; Q721-I725 PolarHBondContact O-N 3.41Å; Q721-I725 VanDerWaalsContact O-N 3.08Å; M723-I725 PolarHBondContact O-N 2.82Å; I725-Q727 PolarHBondContact O-N 3.27Å
726N43.6Very low48.6Very low96 Ų96116.2 Ų116.251%0.51363%0.626SS.*  trans-9067.7178.3-90.3-68000113A722 M723 R724 L728 F729A722-N726 PolarHBondContact O-ND2 3.41Å; M723-N726 PolarHBondContact O-N 3.36Å; M723-N726 VanDerWaalsContact O-N 3.09Å; R724-N726 VanDerWaalsContact C-N 3.34Å; N726-L728 PolarHBondContact O-N 3.47Å; N726-F729 PolarHBondContact O-N 2.99Å
727Q50.7Low47.1Very low162 Ų162118.5 Ų118.576%0.75763%0.634SS**THydrogen-bonded Turntrans-6210.7175.6-65.7-78.93600115.4I725I725-Q727 PolarHBondContact O-N 3.27Å
728L44.7Very low46.4Very low163 Ų163122.3 Ų122.385%0.85364%0.643SS**THydrogen-bonded Turntrans-102-3.1170.9-69.2171.7000113N726N726-L728 PolarHBondContact O-N 3.47Å
729F41.8Very low45.6Very low145 Ų145121.3 Ų121.364%0.63664%0.643SS**SBendtrans-108.8109.7170-99.7-108.7000109.9N726 F749N726-F729 PolarHBondContact O-N 2.99Å; F729-F749 HydrophobicContact CE1-CE2 4.33Å
730L36Very low44.9Very low155 Ų155126 Ų12681%0.81267%0.667SS**SBendtrans77.2141-171.6-48.1165.9000114.1
731P37.1Very low43.9Very low98 Ų98131.7 Ų131.764%0.63669%0.69SS**  cis-117.2135.2-7.636.8-22.7000113.8F734P731-F734 HydrophobicContact CB-CE2 4.09Å; P731-F734 HydrophobicContact CG-CE2 4.47Å
732S35.4Very low43.7Very low118 Ų118130.9 Ų130.983%0.82569%0.686SS**  trans-146.536165.1-172.20000112.4
733M35.2Very low43.9Very low150 Ų150136.7 Ų136.774%0.73971%0.705SS**  trans-135.331.5-176-73-66.5-73.800113.3G735 V736M733-G735 PolarHBondContact O-N 3.49Å; M733-G735 VanDerWaalsContact O-N 3.11Å; M733-V736 HydrophobicContact CE-CG2 3.7Å
734F33.3Very low44Very low198 Ų198139.1 Ų139.187%0.86872%0.715SS**THydrogen-bonded Turntrans-72.698.3165.3-77.8-78.1000109.5P731P731-F734 HydrophobicContact CB-CE2 4.09Å; P731-F734 HydrophobicContact CG-CE2 4.47Å
735G34.3Very low44.7Very low75 Ų75133.8 Ų133.877%0.77370%0.704SS**THydrogen-bonded Turntrans154.611.1175.900000118.1M733M733-G735 PolarHBondContact O-N 3.49Å; M733-G735 VanDerWaalsContact O-N 3.11Å
736V41.9Very low45.2Very low101 Ų101130.1 Ų130.161%0.61269%0.691SS**SBendtrans-136.8141.4179.9-1370000111.6M733 L738M733-V736 HydrophobicContact CE-CG2 3.7Å; V736-L738 PolarHBondContact O-N 3.27Å
737N35Very low46.4Very low132 Ų132128.2 Ų128.271%0.70669%0.688SS**  trans-61.5130.8-177.3-89.2-90.1000112.2N739N737-N739 PolarHBondContact O-N 3.37Å; N737-N739 VanDerWaalsContact O-N 3.12Å
738L48.8Very low47.3Very low156 Ų156123.2 Ų123.282%0.81767%0.674SS**G310 helixtrans-66.8-10.8-177.5-102.865.3000114.9V736 I740V736-L738 PolarHBondContact O-N 3.27Å; L738-I740 PolarHBondContact O-N 3.12Å
739N46.7Very low48.8Very low148 Ų148121.2 Ų121.279%0.79166%0.659SS**G310 helixtrans-73.39.6-174.5-63.9-13.2000115N737N737-N739 PolarHBondContact O-N 3.37Å; N737-N739 VanDerWaalsContact O-N 3.12Å
740I44.7Very low50.6Low137 Ų137119.7 Ų119.770%0.70366%0.657SS**G310 helixtrans-133.547.1178.9-36.7-179.7000111.3L738 Q742L738-I740 PolarHBondContact O-N 3.12Å; I740-Q742 PolarHBondContact O-N 3Å
741F41.5Very low52.5Low164 Ų164116.5 Ų116.572%0.71964%0.641SS**  trans-7476.5164.5-151.4-89000109.9E743 A746F741-E743 PolarHBondContact O-N 2.88Å; F741-A746 HydrophobicContact CE1-CB 4.18Å
742Q59.3Low54.5Low109 Ų109117 Ų11751%0.50963%0.634SS.*  trans-61.6134.3-169.6-163.1170.825.800111.4I740 Q744 T745I740-Q742 PolarHBondContact O-N 3Å; Q742-Q744 PolarHBondContact O-N 2.94Å; Q742-T745 WeakPolarHBondContact O-CB 3.28Å; Q742-T745 PolarHBondContact O-N 3.21Å; Q742-T745 PolarHBondContact O-OG1 2.93Å
743E54.6Low56.7Low171 Ų171115.1 Ų115.180%0.79961%0.61SS**Hα-helixtrans-47.4-35.1-177.9-171.6-177.3175.100113.7F741 T745 A746 A747F741-E743 PolarHBondContact O-N 2.88Å; E743-T745 VanDerWaalsContact C-N 3.32Å; E743-T745 PolarHBondContact O-N 3.17Å; E743-A746 PolarHBondContact O-N 3.23Å; E743-A747 WeakPolarHBondContact O-CB 3.16Å; E743-A747 PolarHBondContact O-N 3.3Å
744Q54.6Low58.8Low143 Ų143115.5 Ų115.567%0.66860%0.603SS**Hα-helixtrans-63.7-32177-61.9-175.415.700113.5Q742 A748Q742-Q744 PolarHBondContact O-N 2.94Å; Q744-A748 VanDerWaalsContact O-CB 3.29Å; Q744-A748 WeakPolarHBondContact O-CB 3.36Å; Q744-A748 PolarHBondContact O-N 3.34Å
745T64.9Low60.9Low75 Ų75111.4 Ų111.446%0.4659%0.586SS.*Hα-helixtrans-74.3-42.3179.3-46.20000111Q742 E743 A748 F749Q742-T745 WeakPolarHBondContact O-CB 3.28Å; Q742-T745 PolarHBondContact O-N 3.21Å; Q742-T745 PolarHBondContact O-OG1 2.93Å; E743-T745 VanDerWaalsContact C-N 3.32Å; E743-T745 PolarHBondContact O-N 3.17Å; T745-A748 PolarHBondContact O-N 3.22Å; T745-F749 PolarHBondContact O-N 3.4Å
746A64.4Low62.8Low37 Ų37113 Ų11331%0.30658%0.575SS.*Hα-helixtrans-62.3-46172.300000111.2F741 E743 A748 F749 L750F741-A746 HydrophobicContact CE1-CB 4.18Å; E743-A746 PolarHBondContact O-N 3.23Å; A746-A748 VanDerWaalsContact C-N 3.32Å; A746-A748 PolarHBondContact O-N 2.96Å; A746-F749 PolarHBondContact O-N 2.81Å; A746-L750 WeakPolarHBondContact O-CG 3.25Å; A746-L750 PolarHBondContact O-N 3.34Å
747A69.4Low64.6Low55 Ų55112 Ų11246%0.45557%0.566SS.*Hα-helixtrans-62-36.4175.500000112.8E743 N751E743-A747 WeakPolarHBondContact O-CB 3.16Å; E743-A747 PolarHBondContact O-N 3.3Å; A747-N751 WeakPolarHBondContact O-CB 3.22Å; A747-N751 PolarHBondContact O-N 2.99Å
748A70.2Confident66.5Low57 Ų57110.6 Ų110.647%0.47156%0.556SS.*Hα-helixtrans-66.1-43.6174.600000112Q744 T745 A746 N751 H752Q744-A748 VanDerWaalsContact O-CB 3.29Å; Q744-A748 WeakPolarHBondContact O-CB 3.36Å; Q744-A748 PolarHBondContact O-N 3.34Å; T745-A748 PolarHBondContact O-N 3.22Å; A746-A748 VanDerWaalsContact C-N 3.32Å; A746-A748 PolarHBondContact O-N 2.96Å; A748-N751 PolarHBondContact O-N 3.19Å; A748-H752 WeakPolarHBondContact O-CB 3.32Å; A748-H752 PolarHBondContact O-N 3.16Å
749F76.7Confident67.7Low121 Ų121105.5 Ų105.553%0.53154%0.537SS..Hα-helixtrans-63.9-48.5176.8-172.1-95.2000111.8F729 T745 A746 N751 H752 Y753F729-F749 HydrophobicContact CE1-CE2 4.33Å; T745-F749 PolarHBondContact O-N 3.4Å; A746-F749 PolarHBondContact O-N 2.81Å; F749-N751 VanDerWaalsContact C-N 3.31Å; F749-N751 PolarHBondContact O-N 3.42Å; F749-H752 PolarHBondContact O-N 3.48Å; F749-H752 VanDerWaalsContact O-N 3.14Å; F749-Y753 WeakPolarHBondContact O-CB 3.42Å; F749-Y753 PolarHBondContact O-N 3.34Å
750L79.2Confident68.8Low114 Ų114101 Ų10160%0.59752%0.52SS*.Hα-helixtrans-61.5-37176.6-71171.1000112.6A746 R754A746-L750 WeakPolarHBondContact O-CG 3.25Å; A746-L750 PolarHBondContact O-N 3.34Å; L750-R754 WeakPolarHBondContact O-CB 3.45Å; L750-R754 PolarHBondContact O-N 3.17Å
751N75.3Confident70Confident88 Ų8899.1 Ų99.147%0.47151%0.508SS..Hα-helixtrans-68.9-39.1174.7-170.3-0.8000111.7A747 A748 F749 R754 Q755A747-N751 WeakPolarHBondContact O-CB 3.22Å; A747-N751 PolarHBondContact O-N 2.99Å; A748-N751 PolarHBondContact O-N 3.19Å; F749-N751 VanDerWaalsContact C-N 3.31Å; F749-N751 PolarHBondContact O-N 3.42Å; N751-R754 PolarHBondContact O-N 3.01Å; N751-Q755 VanDerWaalsContact O-CG 3.28Å; N751-Q755 WeakPolarHBondContact O-CG 3.31Å; N751-Q755 PolarHBondContact O-N 3.36Å; N751-Q755 PolarHBondContact O-NE2 2.8Å; N751-Q755 PolarHBondContact OD1-NE2 3.02Å
752H79.4Confident71.3Confident108 Ų10895.9 Ų95.950%0.550%0.497SS..Hα-helixtrans-65.8-42.8174.3-171.321.5000111.9A748 F749 Q755 M756A748-H752 WeakPolarHBondContact O-CB 3.32Å; A748-H752 PolarHBondContact O-N 3.16Å; F749-H752 PolarHBondContact O-N 3.48Å; F749-H752 VanDerWaalsContact O-N 3.14Å; H752-Q755 WeakPolarHBondContact O-CB 3.07Å; H752-Q755 PolarHBondContact O-N 2.73Å; H752-M756 PolarHBondContact O-N 3.01Å
753Y80.6Confident71.6Confident79 Ų7998.5 Ų98.531%0.3151%0.51SS..Hα-helixtrans-61.1-44.6174.3-177.9-115.2000111.9L719 F749 Q755 M756 L757L719-Y753 HydrophobicContact CD1-CE2 3.82Å; L719-Y753 HydrophobicContact CD2-CE2 4.44Å; L719-Y753 WeakPolarHBondContact CD2-OH 3.42Å; F749-Y753 WeakPolarHBondContact O-CB 3.42Å; F749-Y753 PolarHBondContact O-N 3.34Å; Y753-Q755 VanDerWaalsContact C-N 3.32Å; Y753-Q755 PolarHBondContact O-N 3.07Å; Y753-M756 WeakPolarHBondContact O-CB 3.15Å; Y753-M756 PolarHBondContact O-N 3.45Å; Y753-M756 VanDerWaalsContact O-N 3.1Å; Y753-L757 HydrophobicContact CD1-CD1 3.99Å; Y753-L757 HydrophobicContact CE1-CD1 3.52Å; Y753-L757 HydrophobicContact CE1-CG 4.26Å; Y753-L757 HydrophobicContact CE2-CD1 4.47Å; Y753-L757 HydrophobicContact CE2-CG 4.36Å; Y753-L757 PolarHBondContact O-N 3.49Å
754R79.1Confident72.3Confident157 Ų15793.8 Ų93.859%0.59249%0.49SS*.Hα-helixtrans-59.2-40.2172.5-177.7-178174.4107.22.7112.6L750 N751 M756 M758L750-R754 WeakPolarHBondContact O-CB 3.45Å; L750-R754 PolarHBondContact O-N 3.17Å; N751-R754 PolarHBondContact O-N 3.01Å; R754-M756 VanDerWaalsContact C-N 3.35Å; R754-M758 WeakPolarHBondContact O-CG 3.34Å; R754-M758 PolarHBondContact O-N 3.26Å
755Q77.8Confident73.1Confident112 Ų11290.8 Ų90.852%0.52348%0.483SS..Hα-helixtrans-66.3-37.5174.7-73.216849.700111.7N751 H752 Y753 M758 A759N751-Q755 VanDerWaalsContact O-CG 3.28Å; N751-Q755 WeakPolarHBondContact O-CG 3.31Å; N751-Q755 PolarHBondContact O-N 3.36Å; N751-Q755 PolarHBondContact O-NE2 2.8Å; N751-Q755 PolarHBondContact OD1-NE2 3.02Å; H752-Q755 WeakPolarHBondContact O-CB 3.07Å; H752-Q755 PolarHBondContact O-N 2.73Å; Y753-Q755 VanDerWaalsContact C-N 3.32Å; Y753-Q755 PolarHBondContact O-N 3.07Å; Q755-M758 PolarHBondContact O-N 3.38Å; Q755-A759 WeakPolarHBondContact O-CB 3.48Å; Q755-A759 PolarHBondContact O-N 2.83Å
756M73.7Confident73.5Confident110 Ų11092 Ų9254%0.54249%0.486SS..Hα-helixtrans-65.3-47.1176.2-154.2-164.8-46.800111.4H752 Y753 R754 M758 A759 A760H752-M756 PolarHBondContact O-N 3.01Å; Y753-M756 WeakPolarHBondContact O-CB 3.15Å; Y753-M756 PolarHBondContact O-N 3.45Å; Y753-M756 VanDerWaalsContact O-N 3.1Å; R754-M756 VanDerWaalsContact C-N 3.35Å; M756-M758 PolarHBondContact O-N 3.14Å; M756-A759 PolarHBondContact O-N 2.91Å; M756-A760 PolarHBondContact O-N 2.84Å
757L80.8Confident74Confident78 Ų7893.8 Ų93.841%0.40849%0.487SS..Hα-helixtrans-59.4-43.6174.4-75.7172.5000112.3Y753 A759 A760 H761Y753-L757 HydrophobicContact CD1-CD1 3.99Å; Y753-L757 HydrophobicContact CE1-CD1 3.52Å; Y753-L757 HydrophobicContact CE1-CG 4.26Å; Y753-L757 HydrophobicContact CE2-CD1 4.47Å; Y753-L757 HydrophobicContact CE2-CG 4.36Å; Y753-L757 PolarHBondContact O-N 3.49Å; L757-A759 VanDerWaalsContact C-N 3.34Å; L757-A759 PolarHBondContact O-N 2.99Å; L757-A760 PolarHBondContact O-N 3Å; L757-H761 PolarHBondContact O-CD2 3.2Å; L757-H761 PolarHBondContact O-N 3.33Å
758M75.8Confident74Confident104 Ų10493.7 Ų93.751%0.51248%0.481SS..Hα-helixtrans-69.7-30176.6-72.6-166.4161.700113R754 Q755 M756 L762R754-M758 WeakPolarHBondContact O-CG 3.34Å; R754-M758 PolarHBondContact O-N 3.26Å; Q755-M758 PolarHBondContact O-N 3.38Å; M756-M758 PolarHBondContact O-N 3.14Å; M758-L762 WeakPolarHBondContact O-CB 3.4Å; M758-L762 WeakPolarHBondContact O-CD1 3.25Å; M758-L762 VanDerWaalsContact O-CG 3.31Å; M758-L762 WeakPolarHBondContact O-CG 3.42Å; M758-L762 PolarHBondContact O-N 3.41Å
759A72Confident74.3Confident49 Ų4997.8 Ų97.841%0.40549%0.49SS..Hα-helixtrans-69.9-41.9171.800000112.2Q755 M756 L757 L762 Q763Q755-A759 WeakPolarHBondContact O-CB 3.48Å; Q755-A759 PolarHBondContact O-N 2.83Å; M756-A759 PolarHBondContact O-N 2.91Å; L757-A759 VanDerWaalsContact C-N 3.34Å; L757-A759 PolarHBondContact O-N 2.99Å; A759-L762 CarbonylContact O-C 3.12Å; A759-L762 PolarHBondContact O-N 3.16Å; A759-Q763 WeakPolarHBondContact O-CG 3.26Å; A759-Q763 PolarHBondContact O-N 3.31Å
760A70.7Confident74.3Confident52 Ų5297.6 Ų97.643%0.4349%0.494SS..Hα-helixtrans-63.2-44.2175.100000111.7M756 L757 L762 Q763 N764M756-A760 PolarHBondContact O-N 2.84Å; L757-A760 PolarHBondContact O-N 3Å; A760-L762 VanDerWaalsContact C-N 3.32Å; A760-L762 PolarHBondContact O-N 3.25Å; A760-Q763 PolarHBondContact O-N 3.38Å; A760-Q763 VanDerWaalsContact O-N 3.11Å; A760-N764 PolarHBondContact O-N 2.97Å
761H70.6Confident74.1Confident98 Ų9896 Ų9645%0.45449%0.486SS..Hα-helixtrans-58.7-41.5170.6-94.2-81.6000112.2L757 Q763 N764 F767L757-H761 PolarHBondContact O-CD2 3.2Å; L757-H761 PolarHBondContact O-N 3.33Å; H761-Q763 PolarHBondContact O-N 3.43Å; H761-N764 PolarHBondContact O-N 3.4Å; H761-N764 VanDerWaalsContact O-N 3.15Å; H761-F767 HydrophobicContact CB-CD1 3.74Å; H761-F767 HydrophobicContact CB-CD2 4.36Å; H761-F767 HydrophobicContact CB-CE1 3.86Å; H761-F767 HydrophobicContact CB-CE2 4.45Å; H761-F767 HydrophobicContact CB-CG 4Å; H761-F767 HydrophobicContact CB-CZ 4.21Å; H761-F767 AromaticContact ND1-CD2 3.26Å; H761-F767 VanDerWaalsContact ND1-CD2 3.26Å; H761-F767 WeakPolarHBondContact ND1-CD2 3.44Å; H761-F767 AromaticContact ND1-CE2 3.66Å; H761-F767 AromaticContact ND1-CG 3.53Å; H761-F767 WeakPolarHBondContact O-CB 3.42Å; H761-F767 WeakPolarHBondContact O-CD1 3.25Å
762L67.3Low74Confident96 Ų9694.8 Ų94.850%0.50349%0.487SS..Hα-helixtrans-69-15.2176.2-80.7165.4000114.5M758 A759 A760 T768 L771M758-L762 WeakPolarHBondContact O-CB 3.4Å; M758-L762 WeakPolarHBondContact O-CD1 3.25Å; M758-L762 VanDerWaalsContact O-CG 3.31Å; M758-L762 WeakPolarHBondContact O-CG 3.42Å; M758-L762 PolarHBondContact O-N 3.41Å; A759-L762 CarbonylContact O-C 3.12Å; A759-L762 PolarHBondContact O-N 3.16Å; A760-L762 VanDerWaalsContact C-N 3.32Å; A760-L762 PolarHBondContact O-N 3.25Å; L762-T768 HydrophobicContact CD2-CG2 4.38Å; L762-T768 WeakPolarHBondContact O-CG2 3.35Å; L762-L771 HydrophobicContact CD2-CD2 3.77Å
763Q67.4Low73.6Confident164 Ų16492.1 Ų92.177%0.76648%0.484SS*.Hα-helixtrans-88.5-19.8171.5-73.2173.7-2600112.6A759 A760 H761A759-Q763 WeakPolarHBondContact O-CG 3.26Å; A759-Q763 PolarHBondContact O-N 3.31Å; A760-Q763 PolarHBondContact O-N 3.38Å; A760-Q763 VanDerWaalsContact O-N 3.11Å; H761-Q763 PolarHBondContact O-N 3.43Å
764N68Low73Confident73 Ų7390.7 Ų90.739%0.3949%0.489SS..  trans-76.3125.2180-169.4-56.2000110.5A760 H761 I766 F767 T768A760-N764 PolarHBondContact O-N 2.97Å; H761-N764 PolarHBondContact O-N 3.4Å; H761-N764 VanDerWaalsContact O-N 3.15Å; N764-I766 VanDerWaalsContact C-N 3.3Å; N764-I766 PolarHBondContact O-N 3.04Å; N764-I766 WeakPolarHBondContact OD1-CB 3.42Å; N764-I766 PolarHBondContact OD1-N 3.38Å; N764-F767 HydrophobicContact CB-CB 4.29Å; N764-F767 PolarHBondContact O-N 3.41Å; N764-T768 PolarHBondContact O-N 2.82Å; N764-T768 PolarHBondContact O-OG1 2.72Å
765P72Confident72.4Confident80 Ų8086 Ų8652%0.51948%0.484SS..Hα-helixtrans-65-32.2-175.625.3-34.1000112.7T768 Q769P765-T768 WeakPolarHBondContact CA-OG1 3.09Å; P765-T768 PolarHBondContact O-OG1 2.92Å; P765-Q769 WeakPolarHBondContact O-CB 3.33Å; P765-Q769 VanDerWaalsContact O-CG 3.27Å; P765-Q769 WeakPolarHBondContact O-CG 3.45Å; P765-Q769 PolarHBondContact O-N 2.89Å
766I73.9Confident71.5Confident100 Ų10083.1 Ų83.151%0.51348%0.479SS..Hα-helixtrans-68.3-45.6178.8-58.1174.9000109.7N764 Q769 L770N764-I766 VanDerWaalsContact C-N 3.3Å; N764-I766 PolarHBondContact O-N 3.04Å; N764-I766 WeakPolarHBondContact OD1-CB 3.42Å; N764-I766 PolarHBondContact OD1-N 3.38Å; I766-Q769 PolarHBondContact O-N 3.03Å; I766-L770 WeakPolarHBondContact O-CB 3.27Å; I766-L770 PolarHBondContact O-N 3.1Å
767F73.3Confident70.7Confident74 Ų7483.6 Ų83.633%0.32549%0.488SS..Hα-helixtrans-70.4-34.1179.2-176.2-90.7000112.7H761 N764 L770 L771H761-F767 HydrophobicContact CB-CD1 3.74Å; H761-F767 HydrophobicContact CB-CD2 4.36Å; H761-F767 HydrophobicContact CB-CE1 3.86Å; H761-F767 HydrophobicContact CB-CE2 4.45Å; H761-F767 HydrophobicContact CB-CG 4Å; H761-F767 HydrophobicContact CB-CZ 4.21Å; H761-F767 AromaticContact ND1-CD2 3.26Å; H761-F767 VanDerWaalsContact ND1-CD2 3.26Å; H761-F767 WeakPolarHBondContact ND1-CD2 3.44Å; H761-F767 AromaticContact ND1-CE2 3.66Å; H761-F767 AromaticContact ND1-CG 3.53Å; H761-F767 WeakPolarHBondContact O-CB 3.42Å; H761-F767 WeakPolarHBondContact O-CD1 3.25Å; N764-F767 HydrophobicContact CB-CB 4.29Å; N764-F767 PolarHBondContact O-N 3.41Å; F767-L770 PolarHBondContact O-N 2.97Å; F767-L771 HydrophobicContact CE1-CB 4.5Å; F767-L771 HydrophobicContact CE1-CD2 4.28Å; F767-L771 WeakPolarHBondContact O-CB 3.34Å; F767-L771 PolarHBondContact O-N 3.14Å
768T71.2Confident69.2Low54 Ų5484.7 Ų84.733%0.33150%0.502SS..Hα-helixtrans-69.7-34.3172.537.80000112.6L762 N764 P765 A772L762-T768 HydrophobicContact CD2-CG2 4.38Å; L762-T768 WeakPolarHBondContact O-CG2 3.35Å; N764-T768 PolarHBondContact O-N 2.82Å; N764-T768 PolarHBondContact O-OG1 2.72Å; P765-T768 WeakPolarHBondContact CA-OG1 3.09Å; P765-T768 PolarHBondContact O-OG1 2.92Å; T768-A772 VanDerWaalsContact O-CB 3.24Å; T768-A772 WeakPolarHBondContact O-CB 3.4Å; T768-A772 PolarHBondContact O-N 3.36Å
769Q75.1Confident67.5Low142 Ų14282.6 Ų82.666%0.66451%0.508SS*.Hα-helixtrans-64.2-45.2167.7-74.1177.345.400111.9P765 I766 L771 A772 A773P765-Q769 WeakPolarHBondContact O-CB 3.33Å; P765-Q769 VanDerWaalsContact O-CG 3.27Å; P765-Q769 WeakPolarHBondContact O-CG 3.45Å; P765-Q769 PolarHBondContact O-N 2.89Å; I766-Q769 PolarHBondContact O-N 3.03Å; Q769-L771 VanDerWaalsContact C-N 3.35Å; Q769-L771 PolarHBondContact O-N 3.14Å; Q769-A772 PolarHBondContact O-N 3.36Å; Q769-A773 WeakPolarHBondContact O-CB 3.23Å; Q769-A773 PolarHBondContact O-N 3.18Å
770L77Confident65.8Low117 Ų11785.1 Ų85.161%0.61352%0.522SS*.Hα-helixtrans-62.3-41177.4-131.382000112.1I766 F767 A773 A774I766-L770 WeakPolarHBondContact O-CB 3.27Å; I766-L770 PolarHBondContact O-N 3.1Å; F767-L770 PolarHBondContact O-N 2.97Å; L770-A773 PolarHBondContact O-N 2.81Å; L770-A774 WeakPolarHBondContact O-CB 2.93Å; L770-A774 PolarHBondContact O-N 3.1Å
771L76.4Confident64.1Low82 Ų8288.3 Ų88.343%0.42954%0.541SS..Hα-helixtrans-69.8-36.4177-174.563.6000111.7L762 F767 Q769 A775L762-L771 HydrophobicContact CD2-CD2 3.77Å; F767-L771 HydrophobicContact CE1-CB 4.5Å; F767-L771 HydrophobicContact CE1-CD2 4.28Å; F767-L771 WeakPolarHBondContact O-CB 3.34Å; F767-L771 PolarHBondContact O-N 3.14Å; Q769-L771 VanDerWaalsContact C-N 3.35Å; Q769-L771 PolarHBondContact O-N 3.14Å; L771-A775 VanDerWaalsContact O-CB 3.32Å; L771-A775 WeakPolarHBondContact O-CB 3.26Å; L771-A775 PolarHBondContact O-N 2.83Å
772A71.8Confident62.6Low61 Ų6189.2 Ų89.250%0.50456%0.559SS.*Hα-helixtrans-67.4-38.6171.800000111.8T768 Q769 A775 A776T768-A772 VanDerWaalsContact O-CB 3.24Å; T768-A772 WeakPolarHBondContact O-CB 3.4Å; T768-A772 PolarHBondContact O-N 3.36Å; Q769-A772 PolarHBondContact O-N 3.36Å; A772-A775 PolarHBondContact O-N 3.41Å; A772-A776 WeakPolarHBondContact O-CB 3.49Å; A772-A776 PolarHBondContact O-N 3.22Å
773A71Confident61.1Low53 Ų5392 Ų9244%0.43857%0.574SS.*Hα-helixtrans-65.6-43.9173.300000111.5Q769 L770 A775 A776 T777Q769-A773 WeakPolarHBondContact O-CB 3.23Å; Q769-A773 PolarHBondContact O-N 3.18Å; L770-A773 PolarHBondContact O-N 2.81Å; A773-A775 VanDerWaalsContact C-N 3.32Å; A773-A775 PolarHBondContact O-N 2.83Å; A773-A776 WeakPolarHBondContact O-CB 3.16Å; A773-A776 PolarHBondContact O-N 2.81Å; A773-A776 VanDerWaalsContact O-N 3.12Å; A773-T777 WeakPolarHBondContact O-CG2 3.45Å; A773-T777 PolarHBondContact O-N 3.12Å; A773-T777 PolarHBondContact O-OG1 2.59Å
774A69.1Low59.5Low49 Ų4994.7 Ų94.741%0.40558%0.577SS.*Hα-helixtrans-63.4-35.3173.700000112.8L770 T777 S778L770-A774 WeakPolarHBondContact O-CB 2.93Å; L770-A774 PolarHBondContact O-N 3.1Å; A774-T777 WeakPolarHBondContact CA-OG1 3.24Å; A774-T777 PolarHBondContact O-OG1 3.21Å; A774-S778 WeakPolarHBondContact O-CB 3.41Å; A774-S778 PolarHBondContact O-N 3.26Å; A774-S778 VanDerWaalsContact O-N 3.08Å; A774-S778 PolarHBondContact O-OG 3.34Å
775A66.2Low58.1Low58 Ų5899.7 Ų99.748%0.47960%0.598SS.*Hα-helixtrans-70-35.7171.300000112.2L771 A772 A773 G779L771-A775 VanDerWaalsContact O-CB 3.32Å; L771-A775 WeakPolarHBondContact O-CB 3.26Å; L771-A775 PolarHBondContact O-N 2.83Å; A772-A775 PolarHBondContact O-N 3.41Å; A773-A775 VanDerWaalsContact C-N 3.32Å; A773-A775 PolarHBondContact O-N 2.83Å; A775-G779 WeakPolarHBondContact O-CA 3.42Å; A775-G779 PolarHBondContact O-N 2.9Å
776A57.5Low56.4Low52 Ų52100.5 Ų100.543%0.4360%0.598SS.*Hα-helixtrans-69.1-41.1175.800000112.2A772 A773 S780A772-A776 WeakPolarHBondContact O-CB 3.49Å; A772-A776 PolarHBondContact O-N 3.22Å; A773-A776 WeakPolarHBondContact O-CB 3.16Å; A773-A776 PolarHBondContact O-N 2.81Å; A773-A776 VanDerWaalsContact O-N 3.12Å; A776-S780 VanDerWaalsContact O-CB 3.27Å; A776-S780 WeakPolarHBondContact O-CB 3.14Å; A776-S780 PolarHBondContact O-N 2.86Å; A776-S780 PolarHBondContact O-OG 3.06Å
777T57.2Low54.6Low120 Ų120106.2 Ų106.274%0.73661%0.613SS**Hα-helixtrans-72.4-31.6177.154.80000112.8A773 A774A773-T777 WeakPolarHBondContact O-CG2 3.45Å; A773-T777 PolarHBondContact O-N 3.12Å; A773-T777 PolarHBondContact O-OG1 2.59Å; A774-T777 WeakPolarHBondContact CA-OG1 3.24Å; A774-T777 PolarHBondContact O-OG1 3.21Å
778S49.9Very low52.7Low101 Ų101110.6 Ų110.671%0.70664%0.64SS**Hα-helixtrans-86.1-13.9174.559.10000114.9A774A774-S778 WeakPolarHBondContact O-CB 3.41Å; A774-S778 PolarHBondContact O-N 3.26Å; A774-S778 VanDerWaalsContact O-N 3.08Å; A774-S778 PolarHBondContact O-OG 3.34Å
779G41Very low50.9Low60 Ų60112.5 Ų112.562%0.61966%0.661SS**Hα-helixtrans-102-12.3-178.900000116.4A775 S781A775-G779 WeakPolarHBondContact O-CA 3.42Å; A775-G779 PolarHBondContact O-N 2.9Å; G779-S781 PolarHBondContact O-N 2.86Å
780S36.4Very low48.9Very low102 Ų102109 Ų10971%0.71366%0.664SS**  trans-90.182.5-166.6-67.40000114.8A776A776-S780 VanDerWaalsContact O-CB 3.27Å; A776-S780 WeakPolarHBondContact O-CB 3.14Å; A776-S780 PolarHBondContact O-N 2.86Å; A776-S780 PolarHBondContact O-OG 3.06Å
781S33.9Very low47.2Very low118 Ų118112.3 Ų112.383%0.82568%0.676SS**  trans-144.249.2162.6-176.10000113.6G779G779-S781 PolarHBondContact O-N 2.86Å
782S38.4Very low45.2Very low118 Ų118116.7 Ų116.783%0.82569%0.694SS**SBendtrans-139.5121.5156.9-165.70000108.8
783N36.3Very low43.6Very low155 Ų155123.2 Ų123.283%0.82971%0.713SS**  trans-74.1142.5-170.7-83.7-4.7000112.4
784R33.4Very low41.7Very low220 Ų220125.5 Ų125.583%0.8373%0.726SS**  trans-65.6156.2163.2-57.9175-177.8169.60109.8
785H39.8Very low40.2Very low178 Ų178128.5 Ų128.582%0.82474%0.739SS**  trans-137.5138.6138.2-109-77.8000110.3
786D35.7Very low39Very low97 Ų97130.9 Ų130.952%0.51975%0.748SS.*  trans-75.6157.2-179.5-104.3-104.7000112.4
787R35.7Very low38.1Very low219 Ų219134.7 Ų134.783%0.82676%0.761SS**  trans54.7123.9148.6-59.9158.6-147-171.25.8118.6
788N33.5Very low37.2Very low166 Ų166135.5 Ų135.589%0.88876%0.761SS**  -161.5175.188.9-147.5-10.4000111.8
789A34.1Very low36.7Very low95 Ų95136.8 Ų136.879%0.78576%0.759SS**  trans-88.2163.4-173.100000115
790G33.1Very low36.6Very low69 Ų69142.6 Ų142.671%0.71177%0.769SS**  trans129.398.1144.200000117
791Q40.9Very low36.7Very low185 Ų185141.4 Ų141.486%0.86477%0.774SS**  trans-156108146.7-117.3160.724.200113.8
792H33.6Very low36.9Very low175 Ų175145.2 Ų145.281%0.8177%0.77SS**  trans35.6114.6147.6-63-106.3000120.8
793H38Very low36.9Very low198 Ų198145.1 Ų145.192%0.91776%0.757SS**  -162.8172.39948.6-77.8000112
794S31.5Very low37Very low101 Ų101147 Ų14771%0.70675%0.752SS**  trans-87.8151.6-165173.40000113.9
795T38.8Very low37.4Very low111 Ų111139.4 Ų139.468%0.68174%0.742SS**  161.5118.9106.8-60.30000113.8
796T40Very low37.6Very low109 Ų109138.5 Ų138.567%0.66974%0.739SS**  trans39118.9158.462.70000123.7
797D38.3Very low38.1Very low131 Ų131141.3 Ų141.370%0.70175%0.748SS**  74.1140.5119.1-52.1-16.8000124.8
798N38Very low38.4Very low138 Ų138137.1 Ų137.174%0.73874%0.743SS**  trans80141.7150.4-61.7-28.5000121.1
799I40.6Very low38.9Very low128 Ų128133.9 Ų133.966%0.65673%0.725SS**  cis-162138.4-23.6-117.6171.5000110
800H39Very low39.4Very low181 Ų181137.4 Ų137.484%0.83873%0.729SS**  trans44127.6155.5-63.862.3000125
801G38.2Very low39.7Very low78 Ų78137.9 Ų137.980%0.80472%0.721SS**  trans105.5158.3135.700000118.6
802R38.3Very low39.5Very low197 Ų197138.2 Ų138.274%0.74372%0.715SS**  cis-169.8124-10.1174.7-177.8173137.919.3112.1
803E39Very low39.7Very low117 Ų117134.3 Ų134.355%0.54771%0.707SS.*  trans64166.5156.2-67.2171.5176.300118.9
804R38.5Very low40Very low193 Ų193133.5 Ų133.573%0.72870%0.701SS**  cis-155.1162.2-7.6-132.9178.7-79.4-166.8-1.4112.5
805G40.6Very low40.2Very low61 Ų61139 Ų13963%0.62971%0.706SS**  trans89146.5154.200000117.5
806E43.8Very low40.1Very low160 Ų160139.1 Ų139.175%0.74871%0.707SS**  cis-158.8132.3-17.3-147.1132.5119.100112.3
807Q47.7Very low40.1Very low155 Ų155144.5 Ų144.572%0.72472%0.715SS**  trans51.5139.6151.9-61.9-166.9-76.700123.8
808D41.7Very low40.3Very low132 Ų132147.7 Ų147.771%0.70672%0.723SS**  cis-175.4163.3-15.3-104.6-13.6000107.9
809D43.1Very low40.5Very low98 Ų98145.9 Ų145.952%0.52472%0.721SS.*  cis-167.6-37.4-31.1156.295.5000107.9S811D809-S811 PolarHBondContact OD2-OG 2.79Å
810I45.8Very low40.5Very low168 Ų168145 Ų14586%0.86273%0.727SS**  trans-63.5134.1-156.4-65170.7000112.7
811S38.4Very low40.9Very low79 Ų79142 Ų14255%0.55272%0.723SS**  cis-168.3122.3-32.1-121.10000105.8D809D809-S811 PolarHBondContact OD2-OG 2.79Å
812R36.9Very low40.8Very low192 Ų192145.1 Ų145.173%0.72572%0.721SS**  79.8107.267.3-164.9179.2-164.4168.59.2115.3
813S38.4Very low40.6Very low94 Ų94141 Ų14166%0.65772%0.718SS**  trans-48.4153.6172.7-26.70000116.7
814K42.8Very low40.7Very low180 Ų180141.9 Ų141.978%0.78373%0.731SS**  trans-131133.3133.6-71.695.3177.2-178.10107.5
815R36.4Very low40.8Very low217 Ų217137.7 Ų137.782%0.81973%0.731SS**  cis77.1154.736.6-66.6-175.7162.8-173.3-4.6114.7
816T36.5Very low40.8Very low114 Ų114141.5 Ų141.570%0.69974%0.736SS**  trans110.9141.515373.10000116.3
817R40Very low40.6Very low222 Ų222141.5 Ų141.584%0.83874%0.736SS**  cis-168.6177.5-9.7-115.3170.2-178.4179-1.6111.8
818K42.8Very low40.2Very low197 Ų197139.4 Ų139.486%0.85773%0.734SS**  trans84.2141.9166.7-53.8172.5-176.1172.80114.4
819S42.5Very low40.4Very low100 Ų100139.3 Ų139.370%0.69973%0.733SS**  cis-167.5137.6-15.339.70000107.1
820S39.8Very low40.6Very low111 Ų111141.9 Ų141.978%0.77675%0.747SS**  66143.457.5-51.30000114.4
821P47.5Very low40.6Very low118 Ų118141.1 Ų141.177%0.76675%0.745SS**  cis-148.6-179.7-32.140.9-21.9000116.6
822N35.7Very low41Very low142 Ų142143.2 Ų143.276%0.75976%0.755SS**  trans82.9121.2138.6-12634.5000125.5
823V35.3Very low41.5Very low112 Ų112139.2 Ų139.268%0.67975%0.753SS**  53.8117.2129.9170.90000123.3
824T40.5Very low41.5Very low135 Ų135141.1 Ų141.183%0.82876%0.76SS**  -170.2133.111730.20000107.2
825S40Very low41.3Very low104 Ų104135.8 Ų135.873%0.72776%0.757SS**  cis93.5147.842.3-161.10000113.6
826I40.8Very low41.3Very low142 Ų142133.6 Ų133.673%0.72875%0.754SS**  trans77.698.3177-55.3173000113.5
827Q41.2Very low41.4Very low160 Ų160136 Ų13675%0.74876%0.757SS**  88.6110.583.5-77.1175.6-91.200115.6
828T37.6Very low41.2Very low110 Ų110129.5 Ų129.568%0.67575%0.751SS**  trans60.4176.3135.858.30000119.2
829D46.3Very low41.2Very low130 Ų130126.3 Ų126.370%0.69575%0.747SS**  cis-147.2145.312.7-63.4-95.8000113.7
830D47.5Very low41.1Very low152 Ų152127.8 Ų127.881%0.81375%0.748SS**  trans62.4173.7139.8-76.8-32.2000127.3
831D46Very low41.2Very low152 Ų152128.8 Ų128.881%0.81374%0.744SS**  trans86.270.7163.2-68.2-24.9000123.9
832T47.1Very low41.3Very low124 Ų124131.8 Ų131.876%0.76175%0.748SS**  trans-50.8-172.3138.2420000116.8
833P46.7Very low42.1Very low108 Ų108133 Ų13370%0.70175%0.749SS**  cis-142.9-167.5-41.935.5-13000116.4
834V38.4Very low42.3Very low133 Ų133134.8 Ų134.881%0.80676%0.755SS**  trans75.1130.8155.1-1360000123.8
835G39Very low42.4Very low69 Ų69132.2 Ų132.271%0.71176%0.756SS**  trans125.1149.1131.900000117.5
836F36.3Very low42.6Very low171 Ų171133.9 Ų133.975%0.7576%0.756SS**  cis-167.8151.5-21.6-152.9-123000109.1
837Q38Very low43.1Very low163 Ų163136.5 Ų136.576%0.76276%0.758SS**  trans48.8114.6165.5-74.4169.9-24.600119.4
838A35.9Very low43.1Very low86 Ų86133 Ų13371%0.71175%0.752SS**  90.5160.463.700000115
839V42.5Very low43.5Very low130 Ų130133.4 Ų133.479%0.78875%0.749SS**  trans91.2124.9167.4-410000120.5
840N40Very low43.3Very low131 Ų131131.8 Ų131.870%0.70174%0.744SS**  trans74.6105.3147.1-59.513.3000123
841D42.8Very low43.6Very low132 Ų132132.1 Ų132.171%0.70674%0.743SS**  65.6140.7107.5-48.5-32.3000123.8
842E49.6Very low43.4Very low181 Ų181130.4 Ų130.485%0.84673%0.734SS**  trans54.8106.8149-66.7174.4170.500120.6
843E52.4Low43.5Very low169 Ų169132.3 Ų132.379%0.7974%0.739SS**  -176.5139.894-96.8-153.486.800114.5
844N40.4Very low43.4Very low148 Ų148133.5 Ų133.579%0.79174%0.74SS**  trans26.9123.7138.9-59.3-40000121.5
845G42.8Very low43.9Very low82 Ų82135.2 Ų135.285%0.84574%0.744SS**  trans-159.260.2172.500000112.6
846D42.8Very low44.2Very low138 Ų138139.4 Ų139.474%0.73875%0.751SS**  trans-67.3128.6177.6177.817.7000111.7S848D846-S848 PolarHBondContact OD1-N 2.83Å; D846-S848 PolarHBondContact OD1-OG 2.93Å
847Y51.6Low44.7Very low198 Ų198138.7 Ų138.778%0.77676%0.755SS**  trans-146.6106.1153-154.1-99.1000110.3
848S40.5Very low44.8Very low87 Ų87138.4 Ų138.461%0.60876%0.758SS**  trans-93.9116.6174.2240000109.7D846D846-S848 PolarHBondContact OD1-N 2.83Å; D846-S848 PolarHBondContact OD1-OG 2.93Å
849D46.2Very low44.7Very low117 Ų117138.1 Ų138.163%0.62676%0.764SS**  trans-10892.7163.3-100.7-37.4000108.1
850T42.6Very low44.7Very low96 Ų96136.9 Ų136.959%0.58977%0.768SS**  trans-73.2123.7162-47.30000107.5D852T850-D852 WeakPolarHBondContact CG2-OD1 3.35Å; T850-D852 WeakPolarHBondContact CG2-OD2 3.5Å
851M53.7Low44.5Very low160 Ų160140.5 Ų140.579%0.78878%0.78SS**  trans-118.488.6162.3-74-74.6156.500106.5
852D43Very low44.1Very low115 Ų115137.9 Ų137.962%0.61578%0.784SS**  trans-62.3139.9160.6-43.8-79.8000108.2T850T850-D852 WeakPolarHBondContact CG2-OD1 3.35Å; T850-D852 WeakPolarHBondContact CG2-OD2 3.5Å
853D49.4Very low43.4Very low164 Ų164133 Ų13388%0.87778%0.783SS**  trans-151.578.8160.7-96.9-33.3000104.7
854D42.6Very low42.4Very low134 Ų134128.5 Ų128.572%0.71778%0.782SS**  trans-63.2143.4165.4-58-67.8000109.2
855D50.3Low42.3Very low168 Ų168130.6 Ų130.690%0.89879%0.787SS**  trans-159.973.7159.2-103.7-23000107.5
856D44.1Very low41.9Very low158 Ų158136 Ų13685%0.84579%0.79SS**  trans-67.2122.4153.2-73.4-58000107.5
857D46.9Very low41.9Very low156 Ų156138.7 Ų138.783%0.83480%0.798SS**  trans-147.4149.7151.2-149.6-7.1000112
858D40.3Very low41.4Very low156 Ų156138.1 Ų138.183%0.83480%0.802SS**  trans-83.5177.5-161.6-82.3-52.7000113.9
859G34.9Very low40.9Very low81 Ų81137.3 Ų137.384%0.83581%0.808SS**  trans-73.6150.3-179.700000114.3
860A42.1Very low40.6Very low104 Ų104140 Ų14086%0.8682%0.817SS**  trans-121.2144.8166.900000110.7
861E35.8Very low40.2Very low207 Ų207140 Ų14097%0.96782%0.821SS**  trans-84.2165.2-176.1-59.3-170.314500113.4
862G34.8Very low39.6Very low77 Ų77140.5 Ų140.579%0.79483%0.825SS**  trans169.7108.9174.100000110.8
863G34.3Very low39.3Very low79 Ų79141.4 Ų141.481%0.81483%0.831SS**  cis110.9105.53.200000110.1
864G31.3Very low38.5Very low74 Ų74136.4 Ų136.476%0.76382%0.818SS**  trans81.9154.6-162.300000112.3
865E38.9Very low38.4Very low192 Ų192137.4 Ų137.490%0.89782%0.821SS**  cis-124.8152.12.5-71.1171.9163.900110.6
866E33.8Very low38Very low194 Ų194135.8 Ų135.891%0.90781%0.813SS**  trans-89.3100.6179-64.1175177.400108.8
867E42.6Very low38.1Very low195 Ų195133.2 Ų133.291%0.91180%0.799SS**  trans-89.9132.7165-74.6-164.6147.400110.3
868E41Very low38.6Very low186 Ų186134.2 Ų134.287%0.86980%0.799SS**  trans-75.3140.6-163.3-58.8-17613600112.3E870E868-E870 VanDerWaalsContact C-N 3.31Å; E868-E870 PolarHBondContact O-N 2.99Å
869G30.7Very low39.2Very low70 Ų70131.6 Ų131.672%0.72279%0.785SS**  trans-7378.5179.300000112.8S871G869-S871 PolarHBondContact O-N 2.98Å; G869-S871 PolarHBondContact O-OG 3.08Å; G869-S871 VanDerWaalsContact O-OG 3.08Å
870E39.7Very low40.1Very low174 Ų174130.4 Ų130.481%0.81377%0.767SS**  trans-59108.5176.958.8177.4164.800111.2E868 L872E868-E870 VanDerWaalsContact C-N 3.31Å; E868-E870 PolarHBondContact O-N 2.99Å; E870-L872 PolarHBondContact O-N 2.99Å; E870-L872 VanDerWaalsContact O-N 3.1Å
871S33.9Very low40.8Very low97 Ų97133.2 Ų133.268%0.67876%0.763SS**  trans-87.884.2-167.7-64.70000111G869 N873G869-S871 PolarHBondContact O-N 2.98Å; G869-S871 PolarHBondContact O-OG 3.08Å; G869-S871 VanDerWaalsContact O-OG 3.08Å; S871-N873 PolarHBondContact O-N 3.1Å; S871-N873 PolarHBondContact O-ND2 3.25Å
872L40.9Very low41.9Very low169 Ų169128.1 Ų128.189%0.88574%0.742SS**  trans-69.675.1166.3-71.4179.6000110.9E870E870-L872 PolarHBondContact O-N 2.99Å; E870-L872 VanDerWaalsContact O-N 3.1Å
873N37Very low43.5Very low135 Ų135129.3 Ų129.372%0.72273%0.73SS**  trans-69.1152.5161.4-63.1-74.6000110S871S871-N873 PolarHBondContact O-N 3.1Å; S871-N873 PolarHBondContact O-ND2 3.25Å
874G33.6Very low44.8Very low59 Ų59130.3 Ų130.361%0.60872%0.715SS**  trans60.479.4155.100000116.5
875I40.7Very low46.7Very low154 Ų154133.4 Ų133.479%0.7971%0.709SS**  trans-115.193.5143-57.8-179000106.3N877I875-N877 VanDerWaalsContact C-N 3.32Å; I875-N877 PolarHBondContact O-N 2.82Å
876D41Very low48.3Very low135 Ų135129.9 Ų129.972%0.72269%0.693SS**  trans-73.487.5174.1-55.9-65.5000108.2E878D876-E878 VanDerWaalsContact C-N 3.33Å; D876-E878 PolarHBondContact O-N 3.1Å
877N47.3Very low50.1Low103 Ų103125.3 Ų125.355%0.55167%0.674SS**  trans-84.476.8-175.8-160.869.3000111.1I875 N879 A880I875-N877 VanDerWaalsContact C-N 3.32Å; I875-N877 PolarHBondContact O-N 2.82Å; N877-N879 PolarHBondContact O-N 3.23Å; N877-A880 PolarHBondContact O-N 3.31Å
878E57.2Low51.6Low177 Ų177120.9 Ų120.983%0.82765%0.653SS**THydrogen-bonded Turntrans-66.82.5-175.2-59.6-174162.300114.8D876D876-E878 VanDerWaalsContact C-N 3.33Å; D876-E878 PolarHBondContact O-N 3.1Å
879N51.4Low53.3Low101 Ų101116.4 Ų116.454%0.5464%0.635SS.*THydrogen-bonded Turntrans-102.310.9177.1-81.196000114.8N877 E881 D882N877-N879 PolarHBondContact O-N 3.23Å; N879-E881 PolarHBondContact O-N 3.21Å; N879-D882 PolarHBondContact ND2-OD2 3.19Å; N879-D882 PolarHBondContact O-N 3.04Å
880A55.1Low55.7Low57 Ų57117.6 Ų117.647%0.47163%0.625SS.*THydrogen-bonded Turntrans-70.37.1-175.500000115.8N877N877-A880 PolarHBondContact O-N 3.31Å
881E57Low57.4Low163 Ų163113.1 Ų113.176%0.76261%0.609SS**THydrogen-bonded Turntrans-100.5-40176.2-57.2-164.2150.100111.4N879 D883 M884 E885N879-E881 PolarHBondContact O-N 3.21Å; E881-D883 VanDerWaalsContact C-N 3.33Å; E881-D883 PolarHBondContact O-N 3.12Å; E881-M884 WeakPolarHBondContact O-CB 3.43Å; E881-M884 PolarHBondContact O-N 2.93Å; E881-E885 PolarHBondContact O-N 3.17Å
882D58.9Low59.5Low100 Ų100115.2 Ų115.254%0.53561%0.608SS.*Hα-helixtrans-59.3-42.8174.6-52.7-43.4000111.8N879 M884 E885 Q886N879-D882 PolarHBondContact ND2-OD2 3.19Å; N879-D882 PolarHBondContact O-N 3.04Å; D882-M884 PolarHBondContact O-N 3.1Å; D882-M884 VanDerWaalsContact O-N 3.09Å; D882-E885 PolarHBondContact O-N 3.21Å; D882-Q886 PolarHBondContact O-N 3.46Å
883D67Low61.2Low101 Ų101110 Ų11054%0.5459%0.59SS.*Hα-helixtrans-54.7-26.7174.1-85.5-21.7000112.5E881 I887E881-D883 VanDerWaalsContact C-N 3.33Å; E881-D883 PolarHBondContact O-N 3.12Å; D883-I887 WeakPolarHBondContact O-CB 3.25Å; D883-I887 VanDerWaalsContact O-CD1 3.29Å; D883-I887 WeakPolarHBondContact O-CD1 3.02Å; D883-I887 WeakPolarHBondContact O-CG1 3.29Å; D883-I887 PolarHBondContact O-N 3.43Å
884M62.5Low62.9Low101 Ų101106.9 Ų106.950%0.49857%0.571SS.*Hα-helixtrans-82.9-42.8-177.8-157.9173.1-40.200111.9E881 D882 I887 E888E881-M884 WeakPolarHBondContact O-CB 3.43Å; E881-M884 PolarHBondContact O-N 2.93Å; D882-M884 PolarHBondContact O-N 3.1Å; D882-M884 VanDerWaalsContact O-N 3.09Å; M884-I887 PolarHBondContact O-N 3.31Å; M884-E888 PolarHBondContact O-N 3.21Å
885E70.9Confident64.8Low139 Ų139110.3 Ų110.365%0.6557%0.572SS**Hα-helixtrans-67.5-37.1175.8-173.9167.4-132.700111.1E881 D882 I887 E888 N889E881-E885 PolarHBondContact O-N 3.17Å; D882-E885 PolarHBondContact O-N 3.21Å; E885-I887 PolarHBondContact O-N 3.17Å; E885-E888 PolarHBondContact O-N 3.27Å; E885-N889 WeakPolarHBondContact CG-ND2 3.3Å; E885-N889 WeakPolarHBondContact O-CB 3.29Å; E885-N889 PolarHBondContact O-N 3.48Å; E885-N889 PolarHBondContact O-ND2 3.19Å
886Q72.8Confident66.3Low118 Ų118105.4 Ų105.455%0.55156%0.555SS**Hα-helixtrans-59.5-44.7171.7-17069.764.700111.6D882 D890D882-Q886 PolarHBondContact O-N 3.46Å; Q886-D890 WeakPolarHBondContact O-CB 3.07Å; Q886-D890 PolarHBondContact O-N 3.4Å
887I71.6Confident67.8Low98 Ų98101.2 Ų101.250%0.50354%0.539SS..Hα-helixtrans-69.9-38.3179.2-72.6169.8000112.4D883 M884 E885 D890 V891D883-I887 WeakPolarHBondContact O-CB 3.25Å; D883-I887 VanDerWaalsContact O-CD1 3.29Å; D883-I887 WeakPolarHBondContact O-CD1 3.02Å; D883-I887 WeakPolarHBondContact O-CG1 3.29Å; D883-I887 PolarHBondContact O-N 3.43Å; M884-I887 PolarHBondContact O-N 3.31Å; E885-I887 PolarHBondContact O-N 3.17Å; I887-D890 PolarHBondContact O-N 3Å; I887-V891 WeakPolarHBondContact O-CB 3.37Å; I887-V891 VanDerWaalsContact O-CG2 3.3Å; I887-V891 WeakPolarHBondContact O-CG2 3.38Å; I887-V891 PolarHBondContact O-N 3.35Å
888E73.1Confident68.7Low102 Ų102103.7 Ų103.748%0.47754%0.541SS..Hα-helixtrans-70.3-36.8177.5-68.7-166.8151.800111R655 M884 E885 V891 E892R655-E888 IonicContact NH2-OE1 2.78Å; R655-E888 PolarHBondContact NH2-OE1 2.71Å; M884-E888 PolarHBondContact O-N 3.21Å; E885-E888 PolarHBondContact O-N 3.27Å; E888-V891 PolarHBondContact O-N 3.47Å; E888-E892 WeakPolarHBondContact O-CB 3.28Å; E888-E892 PolarHBondContact O-N 3.38Å
889N77.6Confident68.7Low91 Ų91103.2 Ų103.249%0.48754%0.538SS..Hα-helixtrans-64.4-42.9170.1-78.7-70000113.4E885 V891 E892 A893E885-N889 WeakPolarHBondContact CG-ND2 3.3Å; E885-N889 WeakPolarHBondContact O-CB 3.29Å; E885-N889 PolarHBondContact O-N 3.48Å; E885-N889 PolarHBondContact O-ND2 3.19Å; N889-V891 VanDerWaalsContact C-N 3.26Å; N889-V891 PolarHBondContact O-N 3.03Å; N889-E892 PolarHBondContact O-N 3.24Å; N889-A893 WeakPolarHBondContact O-CB 3.48Å; N889-A893 PolarHBondContact O-N 3.38Å
890D80.1Confident69.2Low95 Ų95105.2 Ų105.251%0.50855%0.548SS..Hα-helixtrans-62.7-33.7176.3-78.6-3.6000111.8Q886 I887 E894Q886-D890 WeakPolarHBondContact O-CB 3.07Å; Q886-D890 PolarHBondContact O-N 3.4Å; I887-D890 PolarHBondContact O-N 3Å; D890-E894 PolarHBondContact O-N 3.19Å
891V76.7Confident69.1Low81 Ų81109.3 Ų109.349%0.49156%0.559SS.*Hα-helixtrans-73.7-43.5175.2168.60000111.6I887 E888 N889 A893 E894 M895I887-V891 WeakPolarHBondContact O-CB 3.37Å; I887-V891 VanDerWaalsContact O-CG2 3.3Å; I887-V891 WeakPolarHBondContact O-CG2 3.38Å; I887-V891 PolarHBondContact O-N 3.35Å; E888-V891 PolarHBondContact O-N 3.47Å; N889-V891 VanDerWaalsContact C-N 3.26Å; N889-V891 PolarHBondContact O-N 3.03Å; V891-A893 VanDerWaalsContact C-N 3.27Å; V891-A893 PolarHBondContact O-N 3.43Å; V891-E894 PolarHBondContact O-N 3.09Å; V891-M895 WeakPolarHBondContact O-CB 3.15Å; V891-M895 PolarHBondContact O-N 3.1Å
892E78Confident68.4Low140 Ų140108.2 Ų108.265%0.65456%0.558SS**Hα-helixtrans-56.4-44.5173.9-161.180.2-17500110.3E888 N889 M895 A896E888-E892 WeakPolarHBondContact O-CB 3.28Å; E888-E892 PolarHBondContact O-N 3.38Å; N889-E892 PolarHBondContact O-N 3.24Å; E892-M895 PolarHBondContact O-N 3.05Å; E892-A896 WeakPolarHBondContact O-CB 3.21Å; E892-A896 PolarHBondContact O-N 3.16Å
893A75.9Confident67.7Low61 Ų61108.8 Ų108.850%0.50457%0.567SS.*Hα-helixtrans-66.9-41.7176.300000113.3N889 V891 M895 A897N889-A893 WeakPolarHBondContact O-CB 3.48Å; N889-A893 PolarHBondContact O-N 3.38Å; V891-A893 VanDerWaalsContact C-N 3.27Å; V891-A893 PolarHBondContact O-N 3.43Å; A893-M895 PolarHBondContact O-N 3.37Å; A893-A897 WeakPolarHBondContact O-CB 3.27Å; A893-A897 PolarHBondContact O-N 3.41Å
894E73.7Confident66.3Low69 Ų69114.4 Ų114.432%0.32258%0.581SS.*Hα-helixtrans-65.2-29.9173.5-159.4-166.6147.200111.4R644 D890 V891 R898R644-E894 IonicContact CZ-OE2 2.84Å; R644-E894 IonicContact NE-OE2 3.86Å; R644-E894 PolarHBondContact NE-OE2 3.1Å; R644-E894 IonicContact NH2-OE1 3.76Å; R644-E894 IonicContact NH2-OE2 2.99Å; R644-E894 PolarHBondContact NH2-OE2 3.48Å; D890-E894 PolarHBondContact O-N 3.19Å; V891-E894 PolarHBondContact O-N 3.09Å; E894-R898 WeakPolarHBondContact O-CD 3.27Å; E894-R898 WeakPolarHBondContact O-CG 3.47Å; E894-R898 PolarHBondContact O-N 3.41Å; E894-R898 IonicContact OE1-NH1 3.93Å; E894-R898 PolarHBondContact OE1-NH1 3.1Å
895M72.1Confident65.2Low130 Ų130117.2 Ų117.264%0.6460%0.598SS**Hα-helixtrans-74.3-50.1178.2-146.7153-172.300111.2V891 E892 A893 A897 R898 E899V891-M895 WeakPolarHBondContact O-CB 3.15Å; V891-M895 PolarHBondContact O-N 3.1Å; E892-M895 PolarHBondContact O-N 3.05Å; A893-M895 PolarHBondContact O-N 3.37Å; M895-A897 VanDerWaalsContact C-N 3.33Å; M895-A897 PolarHBondContact O-N 3.02Å; M895-R898 PolarHBondContact O-N 3.02Å; M895-E899 PolarHBondContact O-N 3Å
896A73.6Confident63.5Low52 Ų52116.4 Ų116.443%0.4361%0.607SS.*Hα-helixtrans-59.8-40.1175.200000112.7E892 R898 E899 I900E892-A896 WeakPolarHBondContact O-CB 3.21Å; E892-A896 PolarHBondContact O-N 3.16Å; A896-R898 PolarHBondContact O-N 3.29Å; A896-E899 PolarHBondContact O-N 2.87Å; A896-I900 WeakPolarHBondContact O-CD1 3.48Å; A896-I900 WeakPolarHBondContact O-CG1 3.48Å; A896-I900 PolarHBondContact O-N 3.33Å
897A72.6Confident62.1Low46 Ų46117 Ų11738%0.3862%0.622SS.*Hα-helixtrans-64.4-18.8176.100000113.7A893 M895 M901A893-A897 WeakPolarHBondContact O-CB 3.27Å; A893-A897 PolarHBondContact O-N 3.41Å; M895-A897 VanDerWaalsContact C-N 3.33Å; M895-A897 PolarHBondContact O-N 3.02Å; A897-M901 VanDerWaalsContact O-CE 3.25Å; A897-M901 WeakPolarHBondContact O-CE 3.34Å
898R64.5Low60.6Low156 Ų156117.8 Ų117.859%0.58964%0.636SS**Hα-helixtrans-91.6-34.1179.9-69.7166.679.31289.7112.5E894 M895 A896 I900 M901E894-R898 WeakPolarHBondContact O-CD 3.27Å; E894-R898 WeakPolarHBondContact O-CG 3.47Å; E894-R898 PolarHBondContact O-N 3.41Å; E894-R898 IonicContact OE1-NH1 3.93Å; E894-R898 PolarHBondContact OE1-NH1 3.1Å; M895-R898 PolarHBondContact O-N 3.02Å; A896-R898 PolarHBondContact O-N 3.29Å; R898-I900 PolarHBondContact O-N 2.78Å; R898-M901 PolarHBondContact O-N 3.14Å; R898-M901 VanDerWaalsContact O-N 3.1Å
899E58.4Low58.9Low166 Ų166118.8 Ų118.878%0.77665%0.654SS**Hα-helixtrans-61.9-27.4169.4-64.8-167.1147.400112.2M895 A896 M901M895-E899 PolarHBondContact O-N 3Å; A896-E899 PolarHBondContact O-N 2.87Å; E899-M901 VanDerWaalsContact C-N 3.25Å; E899-M901 PolarHBondContact O-N 3.15Å
900I61.2Low57.1Low144 Ų144119.3 Ų119.374%0.73867%0.671SS**THydrogen-bonded Turntrans-74.9-9.7176.9-66.1167000112.9A896 R898A896-I900 WeakPolarHBondContact O-CD1 3.48Å; A896-I900 WeakPolarHBondContact O-CG1 3.48Å; A896-I900 PolarHBondContact O-N 3.33Å; R898-I900 PolarHBondContact O-N 2.78Å
901M53.2Low54.9Low142 Ų142126.5 Ų126.570%0.769%0.691SS**THydrogen-bonded Turntrans-116.715-172.8-75.4-165.7-76.700116A897 R898 E899 P903A897-M901 VanDerWaalsContact O-CE 3.25Å; A897-M901 WeakPolarHBondContact O-CE 3.34Å; R898-M901 PolarHBondContact O-N 3.14Å; R898-M901 VanDerWaalsContact O-N 3.1Å; E899-M901 VanDerWaalsContact C-N 3.25Å; E899-M901 PolarHBondContact O-N 3.15Å; M901-P903 VanDerWaalsContact O-CD 3.31Å; M901-P903 WeakPolarHBondContact O-CD 3.37Å
902D42Very low53.1Low141 Ų141128.5 Ų128.575%0.75471%0.709SS**  trans-99.3104.6172.1-105.2-44.1000112.1R904D902-R904 VanDerWaalsContact C-N 3.31Å; D902-R904 PolarHBondContact O-N 3.42Å; D902-R904 VanDerWaalsContact O-N 3.09Å
903P44.3Very low51.2Low111 Ų111128.5 Ų128.572%0.72171%0.712SS**  trans-89.351.3-173.337.5-38000113.2M901M901-P903 VanDerWaalsContact O-CD 3.31Å; M901-P903 WeakPolarHBondContact O-CD 3.37Å
904R37.6Very low49.4Very low220 Ų220134.5 Ų134.583%0.8373%0.729SS**  trans-157.993.7165.4-83.1109.3-167.6-92.31.3111.6D902D902-R904 VanDerWaalsContact C-N 3.31Å; D902-R904 PolarHBondContact O-N 3.42Å; D902-R904 VanDerWaalsContact O-N 3.09Å
905D39.6Very low47.7Very low160 Ų160135.6 Ų135.686%0.85675%0.75SS**  trans179.494.4132.2-95.7-15.2000109.8
906S35.8Very low46.3Very low121 Ų121134.4 Ų134.485%0.84675%0.754SS**  trans-114.2108.9173-70.20000109.2S908S906-S908 PolarHBondContact O-N 3.41Å
907P43.4Very low44.7Very low132 Ų132142.8 Ų142.886%0.85778%0.775SS**  trans-69.8122.6-178.427.7-33.6000110.5
908S39.6Very low43.2Very low114 Ų114148.8 Ų148.880%0.79780%0.801SS**  trans-76.9145.6177.867.20000112.2S906S906-S908 PolarHBondContact O-N 3.41Å
909S37.2Very low42.2Very low123 Ų123146.5 Ų146.586%0.8681%0.809SS**  trans70.987.6165.2-158.90000117.1
910A38.9Very low41.6Very low101 Ų101143.5 Ų143.584%0.83580%0.803SS**  trans-124.6131.7150.100000109.2
911R34.8Very low41.2Very low247 Ų247143 Ų14393%0.93281%0.809SS**  trans-69.9137.2177.4-72.4166.7159.7168.1-9.2110.6
912S38.6Very low40.7Very low123 Ų123141.7 Ų141.786%0.8681%0.81SS**  trans-151.2153.1137.2-158.70000112.7
913I37.8Very low40.5Very low140 Ų140141.3 Ų141.372%0.71881%0.813SS**  trans-103.4131.3-169.2-52.9163.3000107.8
914H39.1Very low40.1Very low186 Ų186142.3 Ų142.386%0.86182%0.821SS**  178.6154.3120.5-104.2-82.9000114.1
915A38.3Very low40.4Very low93 Ų93136.1 Ų136.177%0.76982%0.817SS**  trans-80.1154.5-17100000114.8
916S40.9Very low40.7Very low105 Ų105135 Ų13573%0.73482%0.816SS**  -160.3121.8114.3-161.80000114.1
917R41.1Very low41.1Very low227 Ų227136.2 Ų136.286%0.85781%0.813SS**  trans21.9119.1144.8-57.2174.8178.2-170.8-1.5119.2
918N40.4Very low41Very low173 Ų173138.9 Ų138.993%0.92581%0.814SS**  -147.5157.3118.5-99.1-35.8000110.7
919S44.9Very low41.1Very low108 Ų108139.3 Ų139.376%0.75581%0.811SS**  trans-98.7152.4-159.347.40000115.3
920P44.8Very low41.3Very low102 Ų102138.8 Ų138.866%0.66280%0.803SS**  trans-84.5156.5-177.535.2-36.6000113.5
921P52.2Low41.4Very low133 Ų133139.8 Ų139.886%0.86480%0.799SS**  trans-87.6113.816433.1-29000110.9
922T43.6Very low41.8Very low116 Ų116133.8 Ų133.871%0.71280%0.795SS**  trans-110.8139.6172.435.70000112.7
923T36.6Very low41.9Very low133 Ų133131.3 Ų131.382%0.81679%0.789SS**  trans56.3106.215654.90000119.6
924C37.3Very low42.3Very low131 Ų131133.2 Ų133.289%0.88580%0.797SS**  trans-146.976146.858.80000111.4
925A44.2Very low42.8Very low91 Ų91130.7 Ų130.775%0.75279%0.789SS**  trans-114.1103.2174.200000110.1N927A925-N927 PolarHBondContact O-N 3.28Å
926T45.8Very low43.3Very low137 Ų137132.3 Ų132.384%0.8479%0.785SS**  trans-83.892.7-171-36.70000111.8
927N43.5Very low43.5Very low145 Ų145134.5 Ų134.578%0.77579%0.789SS**  trans-108.3108.5173.1-88.8-31.7000111.9A925 V929A925-N927 PolarHBondContact O-N 3.28Å; N927-V929 PolarHBondContact O-N 3.15Å
928H41.6Very low43.7Very low189 Ų189128.4 Ų128.488%0.87578%0.781SS**  trans-8293.9169.2-123.7-74.3000109.1
929V41.4Very low44Very low122 Ų122126 Ų12674%0.73977%0.772SS**  trans-118120.3173.5176.50000109.6N927N927-V929 PolarHBondContact O-N 3.15Å
930T41Very low43.7Very low113 Ų113129.8 Ų129.869%0.69378%0.775SS**  trans-80.5156.3167.148.10000110.9
931T41.1Very low43.7Very low122 Ų122130.1 Ų130.175%0.74878%0.78SS**  trans69.783.2169.465.70000118.7
932S42.5Very low43.6Very low121 Ų121132.1 Ų132.185%0.84681%0.808SS**  61.2128117.963.40000122.6
933G41Very low43.6Very low71 Ų71133 Ų13373%0.73281%0.813SS**  trans159.191.4146.800000117.8
934M47.5Very low44Very low180 Ų180132.9 Ų132.989%0.88781%0.812SS**  trans44.1121.2148.4-64.4160.9172.800119.9
935D49.1Very low44.3Very low132 Ų132133.1 Ų133.171%0.70681%0.808SS**  cis99.196.445.2-77-50.7000115.2
936N48.1Very low44.4Very low127 Ų127135.5 Ų135.568%0.67981%0.812SS**  trans58.8122.8134.3-43-47.4000122.5
937N46.3Very low44.3Very low152 Ų152135.4 Ų135.481%0.81381%0.81SS**  171.1136111-87.4-56.5000110.2
938S43.8Very low44.3Very low99 Ų99134.8 Ų134.869%0.69281%0.812SS**  69.813772.7-144.30000112.1
939V47.4Very low44.5Very low121 Ų121130.9 Ų130.973%0.73381%0.808SS**  cis-146.1137.930.8-170.40000107
940F38.8Very low44.7Very low189 Ų189131.6 Ų131.683%0.82981%0.813SS**  68.6147.164.9-126.8-82.2000116.6
941S45.8Very low45.1Very low108 Ų108133.2 Ų133.276%0.75582%0.823SS**  trans70.9135.6174.7-56.70000116.9
942A49.3Very low45.4Very low176 Ų176134.2 Ų134.2100%1.45583%0.83SS**  cis-143.40-5.500000110.2

Retrieved 942 of 942 residues in 551.9 ms (Link to these results)