A0A087YR46_POEFO Loading...

E3 ubiquitin-protein ligase RNF26

E3 ubiquitin-protein ligase that plays a key role in endosome organization by retaining vesicles in the perinuclear cloud. Acts as a platform for perinuclear positioning of the endosomal system by mediating ubiquitination of SQSTM1 through interaction with the ubiquitin conjugating enzyme UBE2J1. Ubiquitinated SQSTM1 attracts specific vesicle-associated adapters, forming a molecular bridge that restrains cognate vesicles in the perinuclear region and organizes the endosomal pathway for efficient cargo transport. Also acts as a regulator of type I interferon production in response to viral infection by mediating the formation of 'Lys-11'-linked polyubiquitin chains on TMEM173/STING, leading to stabilize TMEM173/STING. Also required to limit type I interferon response by promoting autophagic degradation of IRF3.

AlphaFold DB , UniProt , Accession A0A087YR46, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 400 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
1M40.3Very low49.2Very low235 Ų235148.7 Ų148.7100%1.15879%0.788SS**  0107.10-173.8169.6-179.600106.5
2H43.1Very low49.8Very low157 Ų157148.7 Ų148.773%0.72778%0.783SS**  trans43.2112.2170.3-71.4-72.3000119.6
3M48Very low50.6Low138 Ų138140.4 Ų140.468%0.6876%0.755SS**  81.414280.7-84.8-179.2141.600112.3
4E47.5Very low51.5Low151 Ų151138.5 Ų138.571%0.70675%0.745SS**  cis-158.4176.22.9-138160.6164.100113.4
5T54Low52.4Low124 Ų124138.1 Ų138.176%0.76174%0.742SS**  trans-92.6122.9-175.446.30000114.5
6T44.9Very low53.2Low143 Ų143136.7 Ų136.788%0.87773%0.733SS**  trans-157.589.3159.951.30000112.5
7S48.5Very low54.1Low115 Ų115135.1 Ų135.180%0.80472%0.724SS**  trans-159.937.1176.6-164.40000117.4
8E49.9Very low55.1Low182 Ų182136.5 Ų136.585%0.8572%0.723SS**SBendtrans-124.84-179.8-71.8-167.2134.600116
9H52.2Low55.8Low185 Ų185132.4 Ų132.486%0.85671%0.706SS**SBendtrans-105.1-6.1177.1-80.435.8000114.5
10G55.5Low56.6Low51 Ų51128.7 Ų128.753%0.52670%0.695SS.*SBendtrans-81.6-30.3-177.500000115.1
11E56.7Low57.5Low155 Ų155128.7 Ų128.772%0.72469%0.692SS**Hα-helixtrans-79.3-37.5-168.1-63.2-172136.800113.5G13 N14 L15E11-G13 VanDerWaalsContact C-N 3.3Å; E11-G13 PolarHBondContact O-N 3.48Å; E11-N14 PolarHBondContact O-N 3.34Å; E11-L15 PolarHBondContact O-N 3.33Å
12M56.8Low59.1Low148 Ų148122.4 Ų122.473%0.72966%0.66SS**Hα-helixtrans-64.1-33.8179.9-167.970.981.800112.5
13G60.4Low60.5Low41 Ų41120.6 Ų120.642%0.42365%0.653SS.*Hα-helixtrans-67.1-40.2178.400000113.2E11 L15 L17E11-G13 VanDerWaalsContact C-N 3.3Å; E11-G13 PolarHBondContact O-N 3.48Å; G13-L15 PolarHBondContact O-N 2.95Å; G13-L17 PolarHBondContact O-N 3.46Å
14N62.5Low61.8Low114 Ų114116.6 Ų116.661%0.6164%0.642SS**Hα-helixtrans-66.8-36.8-178.7-77.6-22.9000112.7E11 L17 F18E11-N14 PolarHBondContact O-N 3.34Å; N14-L17 PolarHBondContact O-N 3.33Å; N14-F18 PolarHBondContact O-N 3.39Å
15L65Low63.2Low133 Ų133115.7 Ų115.770%0.69664%0.638SS**Hα-helixtrans-70.3-39.5-176.7-131.8150000112E11 G13 S19E11-L15 PolarHBondContact O-N 3.33Å; G13-L15 PolarHBondContact O-N 2.95Å; L15-S19 PolarHBondContact O-N 2.9Å; L15-S19 VanDerWaalsContact O-N 3.08Å
16L66.2Low64.2Low115 Ų115112.6 Ų112.660%0.60262%0.618SS**Hα-helixtrans-64.1-45171.5-79.2166000111.6F18 S19 A20L16-F18 PolarHBondContact O-N 2.91Å; L16-S19 PolarHBondContact O-N 3.45Å; L16-S19 PolarHBondContact O-OG 3.31Å; L16-A20 WeakPolarHBondContact O-CB 3.36Å; L16-A20 PolarHBondContact O-N 3.48Å
17L69Low65.6Low110 Ų110109.7 Ų109.758%0.57660%0.601SS**Hα-helixtrans-59.2-43.8177.9-120.1160.1000112.2G13 N14 A20 M21G13-L17 PolarHBondContact O-N 3.46Å; N14-L17 PolarHBondContact O-N 3.33Å; L17-A20 PolarHBondContact O-N 2.88Å; L17-M21 WeakPolarHBondContact O-CG 3.29Å; L17-M21 PolarHBondContact O-N 3.49Å
18F70.9Confident66.8Low160 Ų160106.9 Ų106.970%0.70258%0.581SS**Hα-helixtrans-65.5-42.7177.2-164.4-94.9000112.2N14 L16 A20 M21 H22N14-F18 PolarHBondContact O-N 3.39Å; L16-F18 PolarHBondContact O-N 2.91Å; F18-A20 VanDerWaalsContact C-N 3.33Å; F18-A20 PolarHBondContact O-N 3.19Å; F18-M21 PolarHBondContact O-N 3.29Å; F18-H22 PolarHBondContact O-N 3.16Å
19S68.6Low68.1Low59 Ų59101.5 Ų101.541%0.41356%0.563SS.*Hα-helixtrans-63-38.5175.875.10000112.5L15 L16 M23L15-S19 PolarHBondContact O-N 2.9Å; L15-S19 VanDerWaalsContact O-N 3.08Å; L16-S19 PolarHBondContact O-N 3.45Å; L16-S19 PolarHBondContact O-OG 3.31Å; S19-M23 WeakPolarHBondContact O-CB 3.24Å; S19-M23 VanDerWaalsContact O-CG 3.31Å; S19-M23 WeakPolarHBondContact O-CG 3.3Å; S19-M23 PolarHBondContact O-N 3.41Å
20A72.1Confident69.5Low58 Ų5899 Ų9948%0.47956%0.555SS.*Hα-helixtrans-68.7-41176.500000112L16 L17 F18 M23 A24L16-A20 WeakPolarHBondContact O-CB 3.36Å; L16-A20 PolarHBondContact O-N 3.48Å; L17-A20 PolarHBondContact O-N 2.88Å; F18-A20 VanDerWaalsContact C-N 3.33Å; F18-A20 PolarHBondContact O-N 3.19Å; A20-M23 PolarHBondContact O-N 3.23Å; A20-A24 WeakPolarHBondContact O-CB 3.39Å; A20-A24 PolarHBondContact O-N 3.44Å
21M75.2Confident70.6Confident128 Ų12899 Ų9963%0.63155%0.551SS**Hα-helixtrans-64-44.8174.4-71.3-14295.300112.1L17 F18 M23 A24 E25L17-M21 WeakPolarHBondContact O-CG 3.29Å; L17-M21 PolarHBondContact O-N 3.49Å; F18-M21 PolarHBondContact O-N 3.29Å; M21-M23 VanDerWaalsContact C-N 3.33Å; M21-M23 PolarHBondContact O-N 2.91Å; M21-A24 CarbonylContact O-C 3.6Å; M21-A24 WeakPolarHBondContact O-CB 3.36Å; M21-A24 PolarHBondContact O-N 3.28Å; M21-A24 VanDerWaalsContact O-N 3.11Å; M21-E25 WeakPolarHBondContact O-CB 3.4Å; M21-E25 PolarHBondContact O-N 3.5Å
22H73.3Confident71.7Confident104 Ų10497.9 Ų97.948%0.48155%0.545SS..Hα-helixtrans-64.9-35.8178.2-171.6-79.6000112.5F18 E25 T26F18-H22 PolarHBondContact O-N 3.16Å; H22-E25 PolarHBondContact O-N 3.1Å; H22-T26 WeakPolarHBondContact O-CG2 3.22Å; H22-T26 PolarHBondContact O-N 3.13Å; H22-T26 PolarHBondContact O-OG1 2.87Å
23M74.2Confident72.8Confident118 Ų11892.6 Ų92.658%0.58153%0.529SS*.Hα-helixtrans-69.6-35.4171.6-71.3-61.2-62.700112.3S19 A20 M21 T26 T27S19-M23 WeakPolarHBondContact O-CB 3.24Å; S19-M23 VanDerWaalsContact O-CG 3.31Å; S19-M23 WeakPolarHBondContact O-CG 3.3Å; S19-M23 PolarHBondContact O-N 3.41Å; A20-M23 PolarHBondContact O-N 3.23Å; M21-M23 VanDerWaalsContact C-N 3.33Å; M21-M23 PolarHBondContact O-N 2.91Å; M23-T26 WeakPolarHBondContact CA-OG1 3.29Å; M23-T26 PolarHBondContact O-OG1 2.91Å; M23-T27 WeakPolarHBondContact O-CB 3.34Å; M23-T27 VanDerWaalsContact O-CG2 3.3Å; M23-T27 WeakPolarHBondContact O-CG2 3.39Å; M23-T27 PolarHBondContact O-N 3.48Å; M23-T27 PolarHBondContact O-OG1 3.15Å
24A74.2Confident73.8Confident54 Ų5493.4 Ų93.445%0.44653%0.532SS..Hα-helixtrans-68.3-34.7173.500000112.6A20 M21 T27 S28A20-A24 WeakPolarHBondContact O-CB 3.39Å; A20-A24 PolarHBondContact O-N 3.44Å; M21-A24 CarbonylContact O-C 3.6Å; M21-A24 WeakPolarHBondContact O-CB 3.36Å; M21-A24 PolarHBondContact O-N 3.28Å; M21-A24 VanDerWaalsContact O-N 3.11Å; A24-T27 WeakPolarHBondContact CA-OG1 3.22Å; A24-T27 PolarHBondContact O-OG1 2.78Å; A24-S28 VanDerWaalsContact O-CB 3.22Å; A24-S28 WeakPolarHBondContact O-CB 3.4Å; A24-S28 PolarHBondContact O-N 3.46Å; A24-S28 PolarHBondContact O-OG 2.85Å; A24-S28 VanDerWaalsContact O-OG 3.12Å
25E77.7Confident74.8Confident133 Ų13392.6 Ų92.662%0.62153%0.53SS*.Hα-helixtrans-76.7-38.6179.1-170.6165-156.700112.5M21 H22 S28 S29M21-E25 WeakPolarHBondContact O-CB 3.4Å; M21-E25 PolarHBondContact O-N 3.5Å; H22-E25 PolarHBondContact O-N 3.1Å; E25-S28 PolarHBondContact O-OG 3.44Å; E25-S28 VanDerWaalsContact O-OG 3.13Å; E25-S29 WeakPolarHBondContact O-CB 3.46Å; E25-S29 PolarHBondContact O-N 2.99Å; E25-S29 PolarHBondContact O-OG 2.86Å
26T74.1Confident75.6Confident58 Ų5890.6 Ų90.636%0.35652%0.524SS..Hα-helixtrans-69.5-35.4172.250.20000112.3H22 M23 S29 L30H22-T26 WeakPolarHBondContact O-CG2 3.22Å; H22-T26 PolarHBondContact O-N 3.13Å; H22-T26 PolarHBondContact O-OG1 2.87Å; M23-T26 WeakPolarHBondContact CA-OG1 3.29Å; M23-T26 PolarHBondContact O-OG1 2.91Å; T26-S29 WeakPolarHBondContact CA-OG 3.26Å; T26-S29 PolarHBondContact O-OG 3.4Å; T26-S29 VanDerWaalsContact O-OG 3.14Å; T26-L30 VanDerWaalsContact O-CB 3.25Å; T26-L30 WeakPolarHBondContact O-CB 3.41Å; T26-L30 PolarHBondContact O-N 2.96Å; T26-L30 VanDerWaalsContact O-N 3.09Å
27T73.7Confident76.3Confident82 Ų8291.2 Ų91.250%0.50353%0.527SS..Hα-helixtrans-74.8-35.5174.551.30000113.2M23 A24 A31M23-T27 WeakPolarHBondContact O-CB 3.34Å; M23-T27 VanDerWaalsContact O-CG2 3.3Å; M23-T27 WeakPolarHBondContact O-CG2 3.39Å; M23-T27 PolarHBondContact O-N 3.48Å; M23-T27 PolarHBondContact O-OG1 3.15Å; A24-T27 WeakPolarHBondContact CA-OG1 3.22Å; A24-T27 PolarHBondContact O-OG1 2.78Å; T27-A31 VanDerWaalsContact O-CB 3.23Å; T27-A31 WeakPolarHBondContact O-CB 3.29Å; T27-A31 PolarHBondContact O-N 3.45Å
28S75.2Confident77Confident56 Ų5691.3 Ų91.339%0.39253%0.528SS..Hα-helixtrans-69.9-41.3175.969.60000112.3A24 E25 A31 H32A24-S28 VanDerWaalsContact O-CB 3.22Å; A24-S28 WeakPolarHBondContact O-CB 3.4Å; A24-S28 PolarHBondContact O-N 3.46Å; A24-S28 PolarHBondContact O-OG 2.85Å; A24-S28 VanDerWaalsContact O-OG 3.12Å; E25-S28 PolarHBondContact O-OG 3.44Å; E25-S28 VanDerWaalsContact O-OG 3.13Å; S28-A31 PolarHBondContact O-N 2.88Å; S28-H32 WeakPolarHBondContact O-CB 3.33Å; S28-H32 PolarHBondContact O-CD2 2.96Å; S28-H32 PolarHBondContact O-N 3.43Å
29S76.6Confident77.5Confident69 Ų6985 Ų8548%0.48351%0.508SS..Hα-helixtrans-65.7-40.8174.353.30000112.3E25 T26 H32 G33E25-S29 WeakPolarHBondContact O-CB 3.46Å; E25-S29 PolarHBondContact O-N 2.99Å; E25-S29 PolarHBondContact O-OG 2.86Å; T26-S29 WeakPolarHBondContact CA-OG 3.26Å; T26-S29 PolarHBondContact O-OG 3.4Å; T26-S29 VanDerWaalsContact O-OG 3.14Å; S29-H32 PolarHBondContact O-N 3.44Å; S29-G33 PolarHBondContact O-N 2.88Å
30L80.8Confident77.9Confident132 Ų13285.3 Ų85.369%0.69151%0.51SS*.Hα-helixtrans-64.7-40.2173.3-168.672.6000111.9T26 G33 A34T26-L30 VanDerWaalsContact O-CB 3.25Å; T26-L30 WeakPolarHBondContact O-CB 3.41Å; T26-L30 PolarHBondContact O-N 2.96Å; T26-L30 VanDerWaalsContact O-N 3.09Å; L30-G33 PolarHBondContact O-N 3.36Å; L30-A34 WeakPolarHBondContact O-CB 3.27Å; L30-A34 PolarHBondContact O-N 2.8Å
31A78.7Confident78.3Confident52 Ų5285.2 Ų85.243%0.4351%0.509SS..Hα-helixtrans-64.8-43.3175.500000111.9T27 S28 A34 V35T27-A31 VanDerWaalsContact O-CB 3.23Å; T27-A31 WeakPolarHBondContact O-CB 3.29Å; T27-A31 PolarHBondContact O-N 3.45Å; S28-A31 PolarHBondContact O-N 2.88Å; A31-A34 PolarHBondContact O-N 3.13Å; A31-V35 WeakPolarHBondContact O-CB 3.45Å; A31-V35 VanDerWaalsContact O-CG2 3.28Å; A31-V35 WeakPolarHBondContact O-CG2 3.36Å; A31-V35 PolarHBondContact O-N 2.74Å
32H80.8Confident78.7Confident131 Ų13184 Ų8461%0.60651%0.505SS*.Hα-helixtrans-63-40.1173.1-81.6-60.7000112.3S28 S29 V35 T36S28-H32 WeakPolarHBondContact O-CB 3.33Å; S28-H32 PolarHBondContact O-CD2 2.96Å; S28-H32 PolarHBondContact O-N 3.43Å; S29-H32 PolarHBondContact O-N 3.44Å; H32-V35 PolarHBondContact O-N 3.46Å; H32-T36 WeakPolarHBondContact O-CB 3.41Å; H32-T36 WeakPolarHBondContact O-CG2 3.46Å; H32-T36 PolarHBondContact O-N 3.48Å; H32-T36 PolarHBondContact O-OG1 3.01Å
33G79.2Confident79.1Confident37 Ų3784.7 Ų84.738%0.38151%0.511SS..Hα-helixtrans-60.7-45.3172.700000112.8S29 L30 T36 L37S29-G33 PolarHBondContact O-N 2.88Å; L30-G33 PolarHBondContact O-N 3.36Å; G33-T36 WeakPolarHBondContact CA-OG1 3.29Å; G33-T36 PolarHBondContact O-OG1 3.06Å; G33-T36 VanDerWaalsContact O-OG1 3.05Å; G33-L37 WeakPolarHBondContact O-CB 3.34Å; G33-L37 PolarHBondContact O-N 3.32Å
34A80.8Confident79.3Confident59 Ų5982 Ų8249%0.48851%0.508SS..Hα-helixtrans-65.5-42.5176.900000112.7L30 A31 L37 L38L30-A34 WeakPolarHBondContact O-CB 3.27Å; L30-A34 PolarHBondContact O-N 2.8Å; A31-A34 PolarHBondContact O-N 3.13Å; A34-L37 PolarHBondContact O-N 3.5Å; A34-L38 VanDerWaalsContact O-CB 3.27Å; A34-L38 WeakPolarHBondContact O-CB 3.38Å; A34-L38 PolarHBondContact O-N 3.37Å
35V84.4Confident79.5Confident96 Ų9684 Ų8458%0.58251%0.511SS*.Hα-helixtrans-67.9-38.4178.5170.20000111.7A31 H32 G39A31-V35 WeakPolarHBondContact O-CB 3.45Å; A31-V35 VanDerWaalsContact O-CG2 3.28Å; A31-V35 WeakPolarHBondContact O-CG2 3.36Å; A31-V35 PolarHBondContact O-N 2.74Å; H32-V35 PolarHBondContact O-N 3.46Å; V35-G39 PolarHBondContact O-N 2.8Å
36T81.2Confident79.6Confident92 Ų9283.1 Ų83.156%0.56451%0.507SS*.Hα-helixtrans-71.3-37.5176490000112.5H32 G33 S40H32-T36 WeakPolarHBondContact O-CB 3.41Å; H32-T36 WeakPolarHBondContact O-CG2 3.46Å; H32-T36 PolarHBondContact O-N 3.48Å; H32-T36 PolarHBondContact O-OG1 3.01Å; G33-T36 WeakPolarHBondContact CA-OG1 3.29Å; G33-T36 PolarHBondContact O-OG1 3.06Å; G33-T36 VanDerWaalsContact O-OG1 3.05Å; T36-S40 WeakPolarHBondContact O-CB 3.47Å; T36-S40 PolarHBondContact O-N 2.86Å; T36-S40 PolarHBondContact O-OG 2.92Å
37L82Confident79.9Confident128 Ų12882.1 Ų82.167%0.6751%0.508SS*.Hα-helixtrans-64.4-44.5171.7-165.480.9000111.6G33 A34 S40 A41G33-L37 WeakPolarHBondContact O-CB 3.34Å; G33-L37 PolarHBondContact O-N 3.32Å; A34-L37 PolarHBondContact O-N 3.5Å; L37-S40 WeakPolarHBondContact CA-OG 3.3Å; L37-S40 PolarHBondContact O-N 2.92Å; L37-S40 PolarHBondContact O-OG 3.48Å; L37-A41 VanDerWaalsContact O-CB 3.32Å; L37-A41 WeakPolarHBondContact O-CB 3.23Å; L37-A41 PolarHBondContact O-N 3.33Å
38L84.2Confident80.3Confident111 Ų11183 Ų8358%0.58151%0.509SS*.Hα-helixtrans-66.5-41.6177.8-17364.4000111.8A34 A41 L42A34-L38 VanDerWaalsContact O-CB 3.27Å; A34-L38 WeakPolarHBondContact O-CB 3.38Å; A34-L38 PolarHBondContact O-N 3.37Å; L38-A41 PolarHBondContact O-N 3.44Å; L38-L42 HydrophobicContact CG-CD1 4.26Å; L38-L42 WeakPolarHBondContact O-CB 3.37Å; L38-L42 VanDerWaalsContact O-CG 3.3Å; L38-L42 WeakPolarHBondContact O-CG 3.23Å; L38-L42 PolarHBondContact O-N 2.94Å
39G80.4Confident80.6Confident28 Ų2885.3 Ų85.329%0.28952%0.516SS..Hα-helixtrans-63.4-43.617600000112.8V35 L42 L43V35-G39 PolarHBondContact O-N 2.8Å; G39-L42 PolarHBondContact O-N 3.48Å; G39-L43 WeakPolarHBondContact O-CG 3.44Å; G39-L43 PolarHBondContact O-N 3.05Å
40S78.1Confident81.1Confident65 Ų6588.1 Ų88.146%0.45552%0.522SS..Hα-helixtrans-67.9-35.8175.452.40000112.8T36 L37 A44T36-S40 WeakPolarHBondContact O-CB 3.47Å; T36-S40 PolarHBondContact O-N 2.86Å; T36-S40 PolarHBondContact O-OG 2.92Å; L37-S40 WeakPolarHBondContact CA-OG 3.3Å; L37-S40 PolarHBondContact O-N 2.92Å; L37-S40 PolarHBondContact O-OG 3.48Å; S40-A44 WeakPolarHBondContact O-CB 3.21Å; S40-A44 PolarHBondContact O-N 3.24Å
41A79.5Confident81.1Confident56 Ų5684.5 Ų84.546%0.46351%0.508SS..Hα-helixtrans-65.5-39.6172.200000112.6L37 L38 A44 L45L37-A41 VanDerWaalsContact O-CB 3.32Å; L37-A41 WeakPolarHBondContact O-CB 3.23Å; L37-A41 PolarHBondContact O-N 3.33Å; L38-A41 PolarHBondContact O-N 3.44Å; A41-A44 PolarHBondContact O-N 2.96Å; A41-L45 WeakPolarHBondContact O-CB 3.39Å; A41-L45 PolarHBondContact O-N 3.37Å
42L83.1Confident81.3Confident102 Ų10287.2 Ų87.253%0.53451%0.514SS..Hα-helixtrans-66-44.9175.9-74.5168.9000111.8L38 G39 A44 L45 E46L38-L42 HydrophobicContact CG-CD1 4.26Å; L38-L42 WeakPolarHBondContact O-CB 3.37Å; L38-L42 VanDerWaalsContact O-CG 3.3Å; L38-L42 WeakPolarHBondContact O-CG 3.23Å; L38-L42 PolarHBondContact O-N 2.94Å; G39-L42 PolarHBondContact O-N 3.48Å; L42-A44 VanDerWaalsContact C-N 3.33Å; L42-A44 PolarHBondContact O-N 3.49Å; L42-L45 PolarHBondContact O-N 3.25Å; L42-E46 WeakPolarHBondContact O-CB 3.39Å; L42-E46 PolarHBondContact O-N 3.14Å
43L81.6Confident81.5Confident119 Ų11986.9 Ų86.962%0.62351%0.511SS*.Hα-helixtrans-62.7-38.6174.9-71168.7000112.1G39 E46 G47G39-L43 WeakPolarHBondContact O-CG 3.44Å; G39-L43 PolarHBondContact O-N 3.05Å; L43-E46 PolarHBondContact O-N 3.09Å; L43-G47 PolarHBondContact O-N 2.83Å
44A78.9Confident81.8Confident61 Ų6191.3 Ų91.350%0.50452%0.524SS..Hα-helixtrans-66-38.4174.400000112.2S40 A41 L42 L48S40-A44 WeakPolarHBondContact O-CB 3.21Å; S40-A44 PolarHBondContact O-N 3.24Å; A41-A44 PolarHBondContact O-N 2.96Å; L42-A44 VanDerWaalsContact C-N 3.33Å; L42-A44 PolarHBondContact O-N 3.49Å; A44-L48 WeakPolarHBondContact O-CB 3.45Å; A44-L48 PolarHBondContact O-N 3.18Å
45L78.7Confident82.1Confident97 Ų9793 Ų9351%0.50853%0.527SS..Hα-helixtrans-69-39.1175.9-17367.2000111.9A41 L42 L48 L49A41-L45 WeakPolarHBondContact O-CB 3.39Å; A41-L45 PolarHBondContact O-N 3.37Å; L42-L45 PolarHBondContact O-N 3.25Å; L45-L48 WeakPolarHBondContact O-CB 3.28Å; L45-L48 PolarHBondContact O-N 2.84Å; L45-L49 HydrophobicContact CG-CD1 4.32Å; L45-L49 WeakPolarHBondContact O-CG 3.26Å; L45-L49 PolarHBondContact O-N 3.25Å
46E79.7Confident82.1Confident115 Ų11590.2 Ų90.254%0.53752%0.519SS..Hα-helixtrans-62-49.8174.7-174167.5-155.800110.9L42 L43 L48 L49 E50L42-E46 WeakPolarHBondContact O-CB 3.39Å; L42-E46 PolarHBondContact O-N 3.14Å; L43-E46 PolarHBondContact O-N 3.09Å; E46-L48 VanDerWaalsContact C-N 3.29Å; E46-L48 PolarHBondContact O-N 2.96Å; E46-L49 PolarHBondContact O-N 2.95Å; E46-L49 VanDerWaalsContact O-N 3.1Å; E46-E50 PolarHBondContact O-N 3.26Å
47G80.3Confident82.4Confident37 Ų3792.9 Ų92.938%0.38152%0.519SS..Hα-helixtrans-60.6-34.9173.700000113.5L43 S51L43-G47 PolarHBondContact O-N 2.83Å; G47-S51 WeakPolarHBondContact O-CB 3.45Å; G47-S51 PolarHBondContact O-N 3.37Å
48L81.9Confident82.6Confident99 Ų9992.3 Ų92.352%0.51852%0.516SS..Hα-helixtrans-64.5-45.2172-108.4162.1000111.9A44 L45 E46 S51 L52A44-L48 WeakPolarHBondContact O-CB 3.45Å; A44-L48 PolarHBondContact O-N 3.18Å; L45-L48 WeakPolarHBondContact O-CB 3.28Å; L45-L48 PolarHBondContact O-N 2.84Å; E46-L48 VanDerWaalsContact C-N 3.29Å; E46-L48 PolarHBondContact O-N 2.96Å; L48-S51 PolarHBondContact O-N 3.29Å; L48-S51 PolarHBondContact O-OG 3.5Å; L48-L52 WeakPolarHBondContact O-CB 3.22Å; L48-L52 WeakPolarHBondContact O-CG 3.26Å; L48-L52 PolarHBondContact O-N 3.11Å
49L81.9Confident82.2Confident106 Ų10690 Ų9056%0.55551%0.51SS*.Hα-helixtrans-64.6-39176.9-73.8166.8000112.2L45 E46 L52 K53L45-L49 HydrophobicContact CG-CD1 4.32Å; L45-L49 WeakPolarHBondContact O-CG 3.26Å; L45-L49 PolarHBondContact O-N 3.25Å; E46-L49 PolarHBondContact O-N 2.95Å; E46-L49 VanDerWaalsContact O-N 3.1Å; L49-L52 PolarHBondContact O-N 3.46Å; L49-K53 VanDerWaalsContact O-CB 3.31Å; L49-K53 WeakPolarHBondContact O-CB 3.49Å; L49-K53 PolarHBondContact O-N 3.09Å
50E87.3Confident82.3Confident127 Ų12794.1 Ų94.159%0.59352%0.523SS*.Hα-helixtrans-63.7-43.9172.2-70.1-162.8137.500111.9E46 L52 K53 M54E46-E50 PolarHBondContact O-N 3.26Å; E50-L52 PolarHBondContact O-N 3.31Å; E50-K53 WeakPolarHBondContact O-CB 3.19Å; E50-K53 PolarHBondContact O-N 3.27Å; E50-M54 WeakPolarHBondContact O-CG 3.46Å; E50-M54 PolarHBondContact O-N 3.41Å
51S80Confident82.3Confident57 Ų5795.3 Ų95.340%0.39952%0.521SS..Hα-helixtrans-62.4-41.6176.778.10000112.2G47 L48 M54 V55G47-S51 WeakPolarHBondContact O-CB 3.45Å; G47-S51 PolarHBondContact O-N 3.37Å; L48-S51 PolarHBondContact O-N 3.29Å; L48-S51 PolarHBondContact O-OG 3.5Å; S51-M54 PolarHBondContact O-N 2.9Å; S51-V55 WeakPolarHBondContact O-CG2 3.28Å; S51-V55 PolarHBondContact O-N 2.86Å
52L82.4Confident82.3Confident108 Ų10897.1 Ų97.157%0.56553%0.526SS*.Hα-helixtrans-65.7-37.9175.3-74.5169.8000112L48 L49 E50 V55 G56L48-L52 WeakPolarHBondContact O-CB 3.22Å; L48-L52 WeakPolarHBondContact O-CG 3.26Å; L48-L52 PolarHBondContact O-N 3.11Å; L49-L52 PolarHBondContact O-N 3.46Å; E50-L52 PolarHBondContact O-N 3.31Å; L52-V55 PolarHBondContact O-N 2.97Å; L52-G56 PolarHBondContact O-N 3.25Å
53K86.8Confident81.9Confident125 Ų12598 Ų9854%0.54353%0.531SS..Hα-helixtrans-63.1-42.5174.1-175.8-179.6-178.1-177.30111.4L49 E50 G56 Y57L49-K53 VanDerWaalsContact O-CB 3.31Å; L49-K53 WeakPolarHBondContact O-CB 3.49Å; L49-K53 PolarHBondContact O-N 3.09Å; E50-K53 WeakPolarHBondContact O-CB 3.19Å; E50-K53 PolarHBondContact O-N 3.27Å; K53-G56 PolarHBondContact O-N 3.41Å; K53-Y57 HydrophobicContact CD-CE2 4.2Å; K53-Y57 WeakPolarHBondContact CE-OH 3.23Å; K53-Y57 HydrophobicContact CG-CD2 4.13Å; K53-Y57 HydrophobicContact CG-CE2 3.59Å; K53-Y57 VanDerWaalsContact O-CD2 3.23Å; K53-Y57 WeakPolarHBondContact O-CD2 3.41Å; K53-Y57 PolarHBondContact O-N 3.02Å
54M85.1Confident81.5Confident130 Ų13096.2 Ų96.264%0.6452%0.521SS*.Hα-helixtrans-66.4-42.3175.9-69.5-61.4-72.400112.5E50 S51 G56 Y57 L58E50-M54 WeakPolarHBondContact O-CG 3.46Å; E50-M54 PolarHBondContact O-N 3.41Å; S51-M54 PolarHBondContact O-N 2.9Å; M54-G56 VanDerWaalsContact C-N 3.31Å; M54-G56 PolarHBondContact O-N 2.84Å; M54-Y57 PolarHBondContact O-N 2.78Å; M54-L58 WeakPolarHBondContact O-CB 3.39Å; M54-L58 PolarHBondContact O-N 3.29Å
55V87.3Confident81.3Confident93 Ų9399.8 Ų99.856%0.56452%0.522SS*.Hα-helixtrans-62.2-39.4172.2170.10000111.2S51 L52 L58 S59S51-V55 WeakPolarHBondContact O-CG2 3.28Å; S51-V55 PolarHBondContact O-N 2.86Å; L52-V55 PolarHBondContact O-N 2.97Å; V55-L58 PolarHBondContact O-N 3.16Å; V55-S59 VanDerWaalsContact O-CB 3.31Å; V55-S59 WeakPolarHBondContact O-CB 3.41Å; V55-S59 PolarHBondContact O-N 3.26Å
56G83.7Confident80.9Confident39 Ų3996.6 Ų96.640%0.40251%0.512SS..Hα-helixtrans-59.5-49.6174.400000112.6L52 K53 M54 L58 S59 M60L52-G56 PolarHBondContact O-N 3.25Å; K53-G56 PolarHBondContact O-N 3.41Å; M54-G56 VanDerWaalsContact C-N 3.31Å; M54-G56 PolarHBondContact O-N 2.84Å; G56-L58 PolarHBondContact O-N 2.86Å; G56-S59 PolarHBondContact O-N 3.3Å; G56-M60 WeakPolarHBondContact O-CB 3.28Å; G56-M60 PolarHBondContact O-N 3.47Å
57Y88.4Confident80.9Confident147 Ų14796.8 Ų96.858%0.57651%0.511SS*.Hα-helixtrans-62.4-41.7175.6-71.4-51.7000112.7K53 M54 M60 H61K53-Y57 HydrophobicContact CD-CE2 4.2Å; K53-Y57 WeakPolarHBondContact CE-OH 3.23Å; K53-Y57 HydrophobicContact CG-CD2 4.13Å; K53-Y57 HydrophobicContact CG-CE2 3.59Å; K53-Y57 VanDerWaalsContact O-CD2 3.23Å; K53-Y57 WeakPolarHBondContact O-CD2 3.41Å; K53-Y57 PolarHBondContact O-N 3.02Å; M54-Y57 PolarHBondContact O-N 2.78Å; Y57-M60 PolarHBondContact O-N 2.8Å; Y57-H61 VanDerWaalsContact O-CB 3.25Å; Y57-H61 WeakPolarHBondContact O-CB 3.36Å; Y57-H61 PolarHBondContact O-N 3.07Å
58L84.4Confident80.8Confident116 Ų11699.9 Ų99.961%0.60752%0.516SS*.Hα-helixtrans-62.2-47.5177.6-169.973.7000111.3M54 V55 G56 H61 V62M54-L58 WeakPolarHBondContact O-CB 3.39Å; M54-L58 PolarHBondContact O-N 3.29Å; V55-L58 PolarHBondContact O-N 3.16Å; G56-L58 PolarHBondContact O-N 2.86Å; L58-H61 PolarHBondContact O-N 2.76Å; L58-V62 VanDerWaalsContact O-CG2 3.31Å; L58-V62 WeakPolarHBondContact O-CG2 3.34Å; L58-V62 PolarHBondContact O-N 3.12Å
59S76.3Confident80.5Confident64 Ų64100.2 Ų100.245%0.44852%0.515SS..Hα-helixtrans-60.5-47177.7-178.40000111.9V55 G56 H61 V62 L63V55-S59 VanDerWaalsContact O-CB 3.31Å; V55-S59 WeakPolarHBondContact O-CB 3.41Å; V55-S59 PolarHBondContact O-N 3.26Å; G56-S59 PolarHBondContact O-N 3.3Å; S59-H61 PolarHBondContact O-N 2.88Å; S59-V62 PolarHBondContact O-N 2.88Å; S59-L63 WeakPolarHBondContact O-CB 3.39Å; S59-L63 PolarHBondContact O-N 3.21Å
60M82Confident80.2Confident113 Ų113101.4 Ų101.456%0.55752%0.521SS*.Hα-helixtrans-62.4-43.2179-156.2-74178.100111.4G56 Y57 L63 L64G56-M60 WeakPolarHBondContact O-CB 3.28Å; G56-M60 PolarHBondContact O-N 3.47Å; Y57-M60 PolarHBondContact O-N 2.8Å; M60-L63 PolarHBondContact O-N 3.39Å; M60-L64 HydrophobicContact CE-CD1 3.63Å; M60-L64 PolarHBondContact O-N 2.9Å; M60-L64 HydrophobicContact SD-CD1 3.84Å
61H79.3Confident79.8Confident90 Ų9098.3 Ų98.342%0.41751%0.512SS..Hα-helixtrans-65.6-38.9176.9179.5-103.4000113.1Y57 L58 S59 R65Y57-H61 VanDerWaalsContact O-CB 3.25Å; Y57-H61 WeakPolarHBondContact O-CB 3.36Å; Y57-H61 PolarHBondContact O-N 3.07Å; L58-H61 PolarHBondContact O-N 2.76Å; S59-H61 PolarHBondContact O-N 2.88Å; H61-R65 PolarHBondContact CE1-NE 2.98Å; H61-R65 PolarHBondContact CE1-NH2 3.41Å; H61-R65 VanDerWaalsContact CE1-NH2 3.34Å; H61-R65 VanDerWaalsContact NE2-CZ 3.29Å; H61-R65 PolarHBondContact NE2-NE 3.3Å; H61-R65 PolarHBondContact NE2-NH2 3.35Å; H61-R65 PolarHBondContact O-N 3.11Å; H61-R65 VanDerWaalsContact O-N 3.11Å
62V78.8Confident79.9Confident94 Ų94104 Ų10457%0.5753%0.525SS*.Hα-helixtrans-65.1-43.4173.3169.30000111.1L58 S59 G66L58-V62 VanDerWaalsContact O-CG2 3.31Å; L58-V62 WeakPolarHBondContact O-CG2 3.34Å; L58-V62 PolarHBondContact O-N 3.12Å; S59-V62 PolarHBondContact O-N 2.88Å; V62-G66 PolarHBondContact O-N 3.14Å
63L74.9Confident79.8Confident122 Ų122100.7 Ų100.764%0.63952%0.517SS*.Hα-helixtrans-63-43.9176.2-82161.8000112.4S59 M60 G66 K67S59-L63 WeakPolarHBondContact O-CB 3.39Å; S59-L63 PolarHBondContact O-N 3.21Å; M60-L63 PolarHBondContact O-N 3.39Å; L63-G66 PolarHBondContact O-N 3.15Å; L63-K67 WeakPolarHBondContact O-CB 3.49Å; L63-K67 PolarHBondContact O-N 3.44Å
64L73Confident79.6Confident80 Ų80101.1 Ų101.142%0.41952%0.524SS..Hα-helixtrans-64.8-50.5-179.7-136.292000111.5M60 G66 K67 E68M60-L64 HydrophobicContact CE-CD1 3.63Å; M60-L64 PolarHBondContact O-N 2.9Å; M60-L64 HydrophobicContact SD-CD1 3.84Å; L64-G66 VanDerWaalsContact C-N 3.35Å; L64-G66 PolarHBondContact O-N 2.91Å; L64-K67 WeakPolarHBondContact O-CB 3.46Å; L64-K67 PolarHBondContact O-N 2.98Å; L64-E68 WeakPolarHBondContact O-CG 3.32Å; L64-E68 PolarHBondContact O-N 3.37Å
65R74.3Confident79.7Confident137 Ų13798.5 Ų98.552%0.51752%0.515SS..Hα-helixtrans-64.2-38.7177-70.6-164.3-174.1-164.65.3112.3H61 K67 E68 H69H61-R65 PolarHBondContact CE1-NE 2.98Å; H61-R65 PolarHBondContact CE1-NH2 3.41Å; H61-R65 VanDerWaalsContact CE1-NH2 3.34Å; H61-R65 VanDerWaalsContact NE2-CZ 3.29Å; H61-R65 PolarHBondContact NE2-NE 3.3Å; H61-R65 PolarHBondContact NE2-NH2 3.35Å; H61-R65 PolarHBondContact O-N 3.11Å; H61-R65 VanDerWaalsContact O-N 3.11Å; R65-K67 VanDerWaalsContact C-N 3.34Å; R65-K67 PolarHBondContact O-N 3.11Å; R65-E68 PolarHBondContact O-N 2.99Å; R65-H69 PolarHBondContact O-CD2 3.15Å; R65-H69 PolarHBondContact O-N 3.19Å
66G71.1Confident79.7Confident30 Ų3097.6 Ų97.631%0.30951%0.513SS..Hα-helixtrans-58.7-45.1174.800000112V62 L63 L64 E68 H69 L70V62-G66 PolarHBondContact O-N 3.14Å; L63-G66 PolarHBondContact O-N 3.15Å; L64-G66 VanDerWaalsContact C-N 3.35Å; L64-G66 PolarHBondContact O-N 2.91Å; G66-E68 PolarHBondContact O-N 3.49Å; G66-H69 PolarHBondContact O-N 3.23Å; G66-L70 WeakPolarHBondContact O-CB 3.44Å; G66-L70 WeakPolarHBondContact O-CG 3.47Å; G66-L70 PolarHBondContact O-N 3.38Å
67K79.1Confident79.9Confident119 Ų119100.3 Ų100.352%0.51752%0.522SS..Hα-helixtrans-62.4-41.7175.3-164.8-166.271.465.60112.1L63 L64 R65 L70 C71L63-K67 WeakPolarHBondContact O-CB 3.49Å; L63-K67 PolarHBondContact O-N 3.44Å; L64-K67 WeakPolarHBondContact O-CB 3.46Å; L64-K67 PolarHBondContact O-N 2.98Å; R65-K67 VanDerWaalsContact C-N 3.34Å; R65-K67 PolarHBondContact O-N 3.11Å; K67-L70 PolarHBondContact O-N 2.93Å; K67-C71 WeakPolarHBondContact O-CB 3.46Å; K67-C71 PolarHBondContact O-N 3.32Å; K67-C71 PolarHBondContact O-SG 3.4Å
68E78.2Confident79.9Confident102 Ų10299.4 Ų99.448%0.47753%0.526SS..Hα-helixtrans-63.6-44.8178.4-73.4169-168.200112.4L64 R65 G66 C71 R72L64-E68 WeakPolarHBondContact O-CG 3.32Å; L64-E68 PolarHBondContact O-N 3.37Å; R65-E68 PolarHBondContact O-N 2.99Å; G66-E68 PolarHBondContact O-N 3.49Å; E68-C71 PolarHBondContact O-N 3.25Å; E68-R72 WeakPolarHBondContact O-CB 3.39Å; E68-R72 PolarHBondContact O-N 3Å
69H76.4Confident80.3Confident106 Ų10699.5 Ų99.549%0.49152%0.523SS..Hα-helixtrans-65.7-40.1176.3-68.2-52000112.4R65 G66 G73R65-H69 PolarHBondContact O-CD2 3.15Å; R65-H69 PolarHBondContact O-N 3.19Å; G66-H69 PolarHBondContact O-N 3.23Å; H69-G73 PolarHBondContact O-N 2.92Å
70L75.8Confident81Confident131 Ų13198.3 Ų98.369%0.68652%0.521SS*.Hα-helixtrans-65.3-46.9174.5-75.5168.1000112.2G66 K67 R72 G73 L74G66-L70 WeakPolarHBondContact O-CB 3.44Å; G66-L70 WeakPolarHBondContact O-CG 3.47Å; G66-L70 PolarHBondContact O-N 3.38Å; K67-L70 PolarHBondContact O-N 2.93Å; L70-R72 PolarHBondContact O-N 3.32Å; L70-G73 PolarHBondContact O-N 2.99Å; L70-L74 WeakPolarHBondContact O-CB 3.36Å; L70-L74 PolarHBondContact O-N 3.23Å
71C78.4Confident81.4Confident62 Ų6296.2 Ų96.242%0.41952%0.517SS..Hα-helixtrans-59.9-44.8176.3-72.70000111.6K67 E68 L74 V75K67-C71 WeakPolarHBondContact O-CB 3.46Å; K67-C71 PolarHBondContact O-N 3.32Å; K67-C71 PolarHBondContact O-SG 3.4Å; E68-C71 PolarHBondContact O-N 3.25Å; C71-L74 PolarHBondContact O-N 3.48Å; C71-V75 WeakPolarHBondContact O-CG2 3.33Å; C71-V75 PolarHBondContact O-N 2.88Å
72R82.6Confident81.9Confident177 Ų17793.8 Ų93.867%0.66852%0.517SS*.Hα-helixtrans-67.1-37.3178.7-166.9174.270.7-166.34.2112.3E68 L70 S76E68-R72 WeakPolarHBondContact O-CB 3.39Å; E68-R72 PolarHBondContact O-N 3Å; L70-R72 PolarHBondContact O-N 3.32Å; R72-S76 WeakPolarHBondContact O-CB 3.43Å; R72-S76 PolarHBondContact O-N 3.15Å
73G79.8Confident82.7Confident37 Ų3794.8 Ų94.838%0.38152%0.517SS..Hα-helixtrans-62.9-45.8171.800000112.2H69 L70 V75 S76 V77H69-G73 PolarHBondContact O-N 2.92Å; L70-G73 PolarHBondContact O-N 2.99Å; G73-V75 PolarHBondContact O-N 3.34Å; G73-S76 PolarHBondContact O-N 2.9Å; G73-V77 WeakPolarHBondContact O-CG2 3.38Å; G73-V77 PolarHBondContact O-N 2.87Å
74L83.5Confident83.6Confident134 Ų13491.6 Ų91.670%0.70251%0.509SS*.Hα-helixtrans-63.8-41.3179-154.191.4000112.1L70 C71 V77 L78L70-L74 WeakPolarHBondContact O-CB 3.36Å; L70-L74 PolarHBondContact O-N 3.23Å; C71-L74 PolarHBondContact O-N 3.48Å; L74-V77 PolarHBondContact O-N 3.39Å; L74-L78 WeakPolarHBondContact O-CB 3.05Å; L74-L78 PolarHBondContact O-N 2.97Å
75V87.4Confident84.6Confident75 Ų7592.2 Ų92.246%0.45552%0.516SS..Hα-helixtrans-62.4-46.2174.5169.30000110.8C71 G73 V77 L78 E79C71-V75 WeakPolarHBondContact O-CG2 3.33Å; C71-V75 PolarHBondContact O-N 2.88Å; G73-V75 PolarHBondContact O-N 3.34Å; V75-V77 VanDerWaalsContact C-N 3.35Å; V75-V77 PolarHBondContact O-N 3.4Å; V75-L78 PolarHBondContact O-N 2.84Å; V75-L78 VanDerWaalsContact O-N 3.14Å; V75-E79 HydrophobicContact CG1-CG 4.4Å; V75-E79 WeakPolarHBondContact O-CG 3.26Å; V75-E79 PolarHBondContact O-N 3.41Å
76S85.6Confident85.5Confident75 Ų7589 Ų8952%0.52452%0.515SS..Hα-helixtrans-63.9-37.4178.2-176.80000112.9R72 G73 G80R72-S76 WeakPolarHBondContact O-CB 3.43Å; R72-S76 PolarHBondContact O-N 3.15Å; G73-S76 PolarHBondContact O-N 2.9Å; S76-G80 PolarHBondContact O-N 3.41Å
77V87.7Confident86.6Confident96 Ų9693.1 Ų93.158%0.58253%0.529SS*.Hα-helixtrans-66-41.6172.3171.50000111G73 L74 V75 G80 C81G73-V77 WeakPolarHBondContact O-CG2 3.38Å; G73-V77 PolarHBondContact O-N 2.87Å; L74-V77 PolarHBondContact O-N 3.39Å; V75-V77 VanDerWaalsContact C-N 3.35Å; V75-V77 PolarHBondContact O-N 3.4Å; V77-G80 PolarHBondContact O-N 3.28Å; V77-C81 WeakPolarHBondContact O-CB 3.37Å; V77-C81 PolarHBondContact O-N 2.97Å; V77-C81 PolarHBondContact O-SG 2.99Å; V77-C81 VanDerWaalsContact O-SG 3.37Å
78L90.4Very high87.4Confident127 Ų12791.6 Ų91.667%0.66553%0.529SS*.Hα-helixtrans-66.1-39.7178.2-172.864.8000112.3L74 V75 C81 G82L74-L78 WeakPolarHBondContact O-CB 3.05Å; L74-L78 PolarHBondContact O-N 2.97Å; V75-L78 PolarHBondContact O-N 2.84Å; V75-L78 VanDerWaalsContact O-N 3.14Å; L78-C81 PolarHBondContact O-N 3.46Å; L78-G82 PolarHBondContact O-N 3.47Å
79E91.7Very high88.3Confident118 Ų11891.1 Ų91.155%0.55153%0.533SS*.Hα-helixtrans-61.2-46.7171.2-74.1171.9175.100111.1V75 C81 G82 I83V75-E79 HydrophobicContact CG1-CG 4.4Å; V75-E79 WeakPolarHBondContact O-CG 3.26Å; V75-E79 PolarHBondContact O-N 3.41Å; E79-C81 PolarHBondContact O-N 3.11Å; E79-G82 PolarHBondContact O-N 2.86Å; E79-G82 VanDerWaalsContact O-N 3.13Å; E79-I83 WeakPolarHBondContact O-CG1 3.45Å; E79-I83 PolarHBondContact O-N 2.87Å
80G90.6Very high89.2Confident39 Ų3993.8 Ų93.840%0.40254%0.54SS..Hα-helixtrans-59.3-42.9174.600000113S76 V77 I83 A84S76-G80 PolarHBondContact O-N 3.41Å; V77-G80 PolarHBondContact O-N 3.28Å; G80-I83 PolarHBondContact O-N 2.75Å; G80-A84 WeakPolarHBondContact O-CB 3.38Å; G80-A84 PolarHBondContact O-N 2.81Å
81C90.7Very high90.2Very high69 Ų6993.9 Ų93.947%0.46654%0.535SS..Hα-helixtrans-63.7-39.7172.6-73.10000112.2V77 L78 E79 A84 V85V77-C81 WeakPolarHBondContact O-CB 3.37Å; V77-C81 PolarHBondContact O-N 2.97Å; V77-C81 PolarHBondContact O-SG 2.99Å; V77-C81 VanDerWaalsContact O-SG 3.37Å; L78-C81 PolarHBondContact O-N 3.46Å; E79-C81 PolarHBondContact O-N 3.11Å; C81-A84 PolarHBondContact O-N 2.89Å; C81-V85 WeakPolarHBondContact O-CB 3.31Å; C81-V85 VanDerWaalsContact O-CG2 3.29Å; C81-V85 WeakPolarHBondContact O-CG2 3.25Å; C81-V85 PolarHBondContact O-N 3.43Å
82G90.9Very high90.9Very high40 Ų4094.5 Ų94.541%0.41254%0.537SS..Hα-helixtrans-63-40.9175.500000112.8L78 E79 S86L78-G82 PolarHBondContact O-N 3.47Å; E79-G82 PolarHBondContact O-N 2.86Å; E79-G82 VanDerWaalsContact O-N 3.13Å; G82-S86 WeakPolarHBondContact O-CB 3.45Å; G82-S86 PolarHBondContact O-N 3.44Å; G82-S86 PolarHBondContact O-OG 3.24Å
83I94.2Very high91.5Very high114 Ų11491.1 Ų91.159%0.58553%0.532SS*.Hα-helixtrans-64.8-45173.9-65.3164.1000110.2E79 G80 S86 L87E79-I83 WeakPolarHBondContact O-CG1 3.45Å; E79-I83 PolarHBondContact O-N 2.87Å; G80-I83 PolarHBondContact O-N 2.75Å; I83-S86 WeakPolarHBondContact CA-OG 3.5Å; I83-S86 PolarHBondContact O-N 3.49Å; I83-S86 PolarHBondContact O-OG 2.82Å; I83-L87 WeakPolarHBondContact O-CB 3.38Å; I83-L87 PolarHBondContact O-N 2.92Å
84A93.8Very high92.3Very high56 Ų5692.3 Ų92.346%0.46353%0.532SS..Hα-helixtrans-62.5-45.3177.700000112.5G80 C81 L87 V88G80-A84 WeakPolarHBondContact O-CB 3.38Å; G80-A84 PolarHBondContact O-N 2.81Å; C81-A84 PolarHBondContact O-N 2.89Å; A84-L87 PolarHBondContact O-N 2.99Å; A84-V88 WeakPolarHBondContact O-CG2 3.48Å; A84-V88 PolarHBondContact O-N 2.97Å
85V94.9Very high92.9Very high93 Ų9389.4 Ų89.456%0.56452%0.52SS*.Hα-helixtrans-63.8-45177.7169.40000111.3C81 L87 V88 V89C81-V85 WeakPolarHBondContact O-CB 3.31Å; C81-V85 VanDerWaalsContact O-CG2 3.29Å; C81-V85 WeakPolarHBondContact O-CG2 3.25Å; C81-V85 PolarHBondContact O-N 3.43Å; V85-L87 VanDerWaalsContact C-N 3.32Å; V85-L87 PolarHBondContact O-N 2.92Å; V85-V88 PolarHBondContact O-N 3.44Å; V85-V89 HydrophobicContact CG1-CG2 4.46Å; V85-V89 WeakPolarHBondContact O-CG2 3.4Å; V85-V89 PolarHBondContact O-N 3.4Å
86S92.4Very high93.4Very high70 Ų7089.3 Ų89.349%0.4952%0.519SS..Hα-helixtrans-65-35.1177.955.80000112.6G82 I83 V89 Y90G82-S86 WeakPolarHBondContact O-CB 3.45Å; G82-S86 PolarHBondContact O-N 3.44Å; G82-S86 PolarHBondContact O-OG 3.24Å; I83-S86 WeakPolarHBondContact CA-OG 3.5Å; I83-S86 PolarHBondContact O-N 3.49Å; I83-S86 PolarHBondContact O-OG 2.82Å; S86-V89 PolarHBondContact O-N 3.39Å; S86-Y90 VanDerWaalsContact O-CB 3.32Å; S86-Y90 WeakPolarHBondContact O-CB 3.36Å; S86-Y90 PolarHBondContact O-N 3.31Å
87L95.2Very high93.9Very high116 Ų11690.1 Ų90.161%0.60752%0.518SS*.Hα-helixtrans-67.4-40.7173.2-172.8145.5000112.3I83 A84 V85 Y90 F91I83-L87 WeakPolarHBondContact O-CB 3.38Å; I83-L87 PolarHBondContact O-N 2.92Å; A84-L87 PolarHBondContact O-N 2.99Å; V85-L87 VanDerWaalsContact C-N 3.32Å; V85-L87 PolarHBondContact O-N 2.92Å; L87-Y90 PolarHBondContact O-N 2.87Å; L87-F91 WeakPolarHBondContact O-CB 3.36Å; L87-F91 PolarHBondContact O-N 2.86Å
88V95.8Very high94.3Very high86 Ų8692.9 Ų92.952%0.52152%0.522SS..Hα-helixtrans-62.9-46.2173.7170.10000110.8A84 V85 Y90 F91 T92A84-V88 WeakPolarHBondContact O-CG2 3.48Å; A84-V88 PolarHBondContact O-N 2.97Å; V85-V88 PolarHBondContact O-N 3.44Å; V88-Y90 PolarHBondContact O-N 2.99Å; V88-F91 PolarHBondContact O-N 3.09Å; V88-T92 WeakPolarHBondContact O-CB 3.36Å; V88-T92 PolarHBondContact O-N 3.43Å; V88-T92 PolarHBondContact O-OG1 3.39Å
89V95.7Very high94.5Very high93 Ų9389 Ų8956%0.56451%0.509SS*.Hα-helixtrans-61.8-43.5176.91710000111.3V85 S86 T92 N93V85-V89 HydrophobicContact CG1-CG2 4.46Å; V85-V89 WeakPolarHBondContact O-CG2 3.4Å; V85-V89 PolarHBondContact O-N 3.4Å; S86-V89 PolarHBondContact O-N 3.39Å; V89-T92 PolarHBondContact O-N 3.19Å; V89-N93 WeakPolarHBondContact O-CB 3.25Å; V89-N93 PolarHBondContact O-N 3.49Å
90Y96.6Very high94.7Very high161 Ų16188 Ų8863%0.63151%0.506SS*.Hα-helixtrans-59.6-49.1175175.6-96.5000111.4S86 L87 V88 T92 N93 T94S86-Y90 VanDerWaalsContact O-CB 3.32Å; S86-Y90 WeakPolarHBondContact O-CB 3.36Å; S86-Y90 PolarHBondContact O-N 3.31Å; L87-Y90 PolarHBondContact O-N 2.87Å; V88-Y90 PolarHBondContact O-N 2.99Å; Y90-T92 PolarHBondContact O-N 3.43Å; Y90-N93 PolarHBondContact O-N 2.91Å; Y90-T94 PolarHBondContact O-N 2.82Å; Y90-T94 PolarHBondContact O-OG1 3.4Å
91F95.6Very high95Very high134 Ų13489.7 Ų89.759%0.58851%0.506SS*.Hα-helixtrans-60.5-46.1178179.4-100.2000112.1L87 V88 N93 T94 V95L87-F91 WeakPolarHBondContact O-CB 3.36Å; L87-F91 PolarHBondContact O-N 2.86Å; V88-F91 PolarHBondContact O-N 3.09Å; F91-N93 VanDerWaalsContact C-N 3.32Å; F91-N93 PolarHBondContact O-N 2.87Å; F91-T94 WeakPolarHBondContact O-CB 3.32Å; F91-T94 PolarHBondContact O-N 2.9Å; F91-V95 HydrophobicContact CD1-CG2 4.23Å; F91-V95 HydrophobicContact CE1-CG2 3.79Å; F91-V95 HydrophobicContact CE2-CG2 4.15Å; F91-V95 HydrophobicContact CZ-CG2 3.75Å; F91-V95 WeakPolarHBondContact O-CG2 3.24Å; F91-V95 PolarHBondContact O-N 2.95Å
92T94.7Very high95.2Very high75 Ų7588 Ų8846%0.4650%0.497SS..Hα-helixtrans-58.7-44175.2-58.10000111.2V88 V89 Y90 T94 V95 V96V88-T92 WeakPolarHBondContact O-CB 3.36Å; V88-T92 PolarHBondContact O-N 3.43Å; V88-T92 PolarHBondContact O-OG1 3.39Å; V89-T92 PolarHBondContact O-N 3.19Å; Y90-T92 PolarHBondContact O-N 3.43Å; T92-T94 PolarHBondContact O-N 2.84Å; T92-V95 PolarHBondContact O-N 3.44Å; T92-V96 HydrophobicContact CG2-CG2 4.43Å; T92-V96 WeakPolarHBondContact O-CB 3.42Å; T92-V96 VanDerWaalsContact O-CG2 3.3Å; T92-V96 WeakPolarHBondContact O-CG2 3.42Å; T92-V96 PolarHBondContact O-N 3.15Å
93N94.7Very high95.3Very high105 Ų10590.5 Ų90.556%0.56150%0.504SS*.Hα-helixtrans-63.8-40176.5-170.537.7000112.1V89 Y90 F91 V96 N97V89-N93 WeakPolarHBondContact O-CB 3.25Å; V89-N93 PolarHBondContact O-N 3.49Å; Y90-N93 PolarHBondContact O-N 2.91Å; F91-N93 VanDerWaalsContact C-N 3.32Å; F91-N93 PolarHBondContact O-N 2.87Å; N93-V96 PolarHBondContact O-N 2.83Å; N93-N97 VanDerWaalsContact O-CB 3.27Å; N93-N97 WeakPolarHBondContact O-CB 3.38Å; N93-N97 PolarHBondContact O-N 3.35Å
94T96.7Very high95.4Very high62 Ų6290.9 Ų90.938%0.3850%0.503SS..Hα-helixtrans-62.1-45.1174.1-56.50000111.7Y90 F91 T92 N97 F98Y90-T94 PolarHBondContact O-N 2.82Å; Y90-T94 PolarHBondContact O-OG1 3.4Å; F91-T94 WeakPolarHBondContact O-CB 3.32Å; F91-T94 PolarHBondContact O-N 2.9Å; T92-T94 PolarHBondContact O-N 2.84Å; T94-N97 PolarHBondContact O-N 2.89Å; T94-F98 WeakPolarHBondContact O-CB 3.24Å; T94-F98 PolarHBondContact O-N 3.48Å
95V96.4Very high95.4Very high74 Ų7492.8 Ų92.845%0.44851%0.506SS..Hα-helixtrans-64.1-45.2177.4171.50000111.2F91 T92 F98 A99F91-V95 HydrophobicContact CD1-CG2 4.23Å; F91-V95 HydrophobicContact CE1-CG2 3.79Å; F91-V95 HydrophobicContact CE2-CG2 4.15Å; F91-V95 HydrophobicContact CZ-CG2 3.75Å; F91-V95 WeakPolarHBondContact O-CG2 3.24Å; F91-V95 PolarHBondContact O-N 2.95Å; T92-V95 PolarHBondContact O-N 3.44Å; V95-F98 PolarHBondContact O-N 2.85Å; V95-A99 VanDerWaalsContact O-CB 3.31Å; V95-A99 WeakPolarHBondContact O-CB 3.35Å; V95-A99 PolarHBondContact O-N 3.49Å
96V96.8Very high95.5Very high73 Ų7394 Ų9444%0.44251%0.508SS..Hα-helixtrans-61.8-45.8176.5169.30000111T92 N93 F98 A99 L100T92-V96 HydrophobicContact CG2-CG2 4.43Å; T92-V96 WeakPolarHBondContact O-CB 3.42Å; T92-V96 VanDerWaalsContact O-CG2 3.3Å; T92-V96 WeakPolarHBondContact O-CG2 3.42Å; T92-V96 PolarHBondContact O-N 3.15Å; N93-V96 PolarHBondContact O-N 2.83Å; V96-F98 PolarHBondContact O-N 2.93Å; V96-A99 PolarHBondContact O-N 3.48Å; V96-L100 HydrophobicContact CG1-CD1 3.94Å; V96-L100 HydrophobicContact CG1-CG 4.35Å; V96-L100 WeakPolarHBondContact O-CB 3.29Å; V96-L100 VanDerWaalsContact O-CG 3.3Å; V96-L100 WeakPolarHBondContact O-CG 3.31Å; V96-L100 PolarHBondContact O-N 2.95Å
97N95.9Very high95.7Very high91 Ų9198.6 Ų98.649%0.48752%0.516SS..Hα-helixtrans-63-43.9178.6-170.530000111.9N93 T94 A99 L100 I101N93-N97 VanDerWaalsContact O-CB 3.27Å; N93-N97 WeakPolarHBondContact O-CB 3.38Å; N93-N97 PolarHBondContact O-N 3.35Å; T94-N97 PolarHBondContact O-N 2.89Å; N97-A99 PolarHBondContact O-N 3.21Å; N97-L100 PolarHBondContact O-N 3.27Å; N97-I101 VanDerWaalsContact O-CG1 3.3Å; N97-I101 WeakPolarHBondContact O-CG1 3.37Å; N97-I101 PolarHBondContact O-N 2.95Å
98F95.9Very high95.7Very high154 Ų15498.7 Ų98.768%0.67552%0.516SS*.Hα-helixtrans-62-43.1174.7-176.8-96000112T94 V95 V96 I101 A102T94-F98 WeakPolarHBondContact O-CB 3.24Å; T94-F98 PolarHBondContact O-N 3.48Å; V95-F98 PolarHBondContact O-N 2.85Å; V96-F98 PolarHBondContact O-N 2.93Å; F98-I101 PolarHBondContact O-N 2.84Å; F98-A102 WeakPolarHBondContact O-CB 3.25Å; F98-A102 PolarHBondContact O-N 2.92Å
99A95.6Very high95.6Very high47 Ų4797.4 Ų97.439%0.38851%0.514SS..Hα-helixtrans-62.4-42.6176.100000112V95 V96 N97 A102 T103V95-A99 VanDerWaalsContact O-CB 3.31Å; V95-A99 WeakPolarHBondContact O-CB 3.35Å; V95-A99 PolarHBondContact O-N 3.49Å; V96-A99 PolarHBondContact O-N 3.48Å; N97-A99 PolarHBondContact O-N 3.21Å; A99-A102 PolarHBondContact O-N 2.9Å; A99-T103 WeakPolarHBondContact O-CB 3.4Å; A99-T103 PolarHBondContact O-N 3.41Å; A99-T103 PolarHBondContact O-OG1 2.86Å
100L95.4Very high95.6Very high95 Ų9595.7 Ų95.750%0.49751%0.51SS..Hα-helixtrans-61.9-45.4175.9-73171.3000112V96 N97 T103 Q104V96-L100 HydrophobicContact CG1-CD1 3.94Å; V96-L100 HydrophobicContact CG1-CG 4.35Å; V96-L100 WeakPolarHBondContact O-CB 3.29Å; V96-L100 VanDerWaalsContact O-CG 3.3Å; V96-L100 WeakPolarHBondContact O-CG 3.31Å; V96-L100 PolarHBondContact O-N 2.95Å; N97-L100 PolarHBondContact O-N 3.27Å; L100-T103 PolarHBondContact O-N 2.87Å; L100-Q104 WeakPolarHBondContact O-CB 3.38Å; L100-Q104 VanDerWaalsContact O-CG 3.32Å; L100-Q104 WeakPolarHBondContact O-CG 3.33Å; L100-Q104 PolarHBondContact O-N 3.46Å
101I97.2Very high95.5Very high76 Ų7690.3 Ų90.339%0.3949%0.494SS..Hα-helixtrans-62.4-43.2176.1-66.6163.5000110.6N97 F98 Q104 N105N97-I101 VanDerWaalsContact O-CG1 3.3Å; N97-I101 WeakPolarHBondContact O-CG1 3.37Å; N97-I101 PolarHBondContact O-N 2.95Å; F98-I101 PolarHBondContact O-N 2.84Å; I101-Q104 PolarHBondContact O-N 2.89Å; I101-N105 PolarHBondContact O-N 2.89Å; I101-N105 PolarHBondContact O-ND2 3.45Å
102A95.1Very high95.4Very high34 Ų3485.4 Ų85.428%0.28148%0.481SS..Hα-helixtrans-61.8-45.2175.600000111.8F98 A99 N105 I106F98-A102 WeakPolarHBondContact O-CB 3.25Å; F98-A102 PolarHBondContact O-N 2.92Å; A99-A102 PolarHBondContact O-N 2.9Å; A102-N105 PolarHBondContact O-N 3.44Å; A102-I106 VanDerWaalsContact O-CG1 3.3Å; A102-I106 WeakPolarHBondContact O-CG1 3.43Å; A102-I106 PolarHBondContact O-N 3.4Å
103T92.5Very high95.3Very high92 Ų9286.1 Ų86.156%0.56449%0.485SS*.Hα-helixtrans-63.4-41.5176.5-57.70000112.1A99 L100 I106 Y107A99-T103 WeakPolarHBondContact O-CB 3.4Å; A99-T103 PolarHBondContact O-N 3.41Å; A99-T103 PolarHBondContact O-OG1 2.86Å; L100-T103 PolarHBondContact O-N 2.87Å; T103-I106 PolarHBondContact O-N 3.4Å; T103-Y107 WeakPolarHBondContact O-CB 3.5Å; T103-Y107 PolarHBondContact O-N 2.85Å
104Q96Very high95.4Very high122 Ų12290.5 Ų90.557%0.5749%0.494SS*.Hα-helixtrans-61.4-43.6175-75.9175.6-7.600111.9L100 I101 Y107 L108L100-Q104 WeakPolarHBondContact O-CB 3.38Å; L100-Q104 VanDerWaalsContact O-CG 3.32Å; L100-Q104 WeakPolarHBondContact O-CG 3.33Å; L100-Q104 PolarHBondContact O-N 3.46Å; I101-Q104 PolarHBondContact O-N 2.89Å; Q104-Y107 PolarHBondContact O-N 2.91Å; Q104-L108 WeakPolarHBondContact O-CB 3.41Å; Q104-L108 WeakPolarHBondContact O-CG 3.42Å; Q104-L108 PolarHBondContact O-N 3.04Å
105N94.6Very high95.2Very high96 Ų9693.4 Ų93.451%0.51350%0.503SS..Hα-helixtrans-65.4-40.7176.7-73.6-29.1000112.5I101 A102 L108 A109I101-N105 PolarHBondContact O-N 2.89Å; I101-N105 PolarHBondContact O-ND2 3.45Å; A102-N105 PolarHBondContact O-N 3.44Å; N105-L108 PolarHBondContact O-N 3Å; N105-A109 WeakPolarHBondContact O-CB 3.28Å; N105-A109 PolarHBondContact O-N 2.9Å
106I96Very high94.8Very high119 Ų11994.5 Ų94.561%0.6151%0.51SS*.Hα-helixtrans-63.2-43174.2-69.1164.6000110.7A102 T103 A109 A110A102-I106 VanDerWaalsContact O-CG1 3.3Å; A102-I106 WeakPolarHBondContact O-CG1 3.43Å; A102-I106 PolarHBondContact O-N 3.4Å; T103-I106 PolarHBondContact O-N 3.4Å; I106-A109 PolarHBondContact O-N 3.44Å; I106-A110 WeakPolarHBondContact O-CB 3.38Å; I106-A110 PolarHBondContact O-N 3.34Å
107Y96.3Very high94.7Very high166 Ų16695.3 Ų95.365%0.65152%0.515SS*.Hα-helixtrans-63-45.7176.8-178.9-98.5000112T103 Q104 A109 A110 V111T103-Y107 WeakPolarHBondContact O-CB 3.5Å; T103-Y107 PolarHBondContact O-N 2.85Å; Q104-Y107 PolarHBondContact O-N 2.91Å; Y107-A109 PolarHBondContact O-N 3.43Å; Y107-A110 PolarHBondContact O-N 3.13Å; Y107-V111 HydrophobicContact CD1-CG2 4.2Å; Y107-V111 HydrophobicContact CE1-CG2 3.78Å; Y107-V111 HydrophobicContact CE2-CG2 4.14Å; Y107-V111 WeakPolarHBondContact O-CG2 3.42Å; Y107-V111 PolarHBondContact O-N 2.8Å
108L95.6Very high94.4Very high117 Ų11793 Ų9361%0.61351%0.506SS*.Hα-helixtrans-59.7-43.6175-76.7163.7000111.9Q104 N105 G112Q104-L108 WeakPolarHBondContact O-CB 3.41Å; Q104-L108 WeakPolarHBondContact O-CG 3.42Å; Q104-L108 PolarHBondContact O-N 3.04Å; N105-L108 PolarHBondContact O-N 3Å; L108-G112 PolarHBondContact O-N 3.46Å
109A94.6Very high94.2Very high59 Ų5989.2 Ų89.249%0.48850%0.498SS..Hα-helixtrans-63.9-43.7175.700000112.1N105 I106 Y107 G112 V113N105-A109 WeakPolarHBondContact O-CB 3.28Å; N105-A109 PolarHBondContact O-N 2.9Å; I106-A109 PolarHBondContact O-N 3.44Å; Y107-A109 PolarHBondContact O-N 3.43Å; A109-G112 PolarHBondContact O-N 2.86Å; A109-V113 WeakPolarHBondContact O-CG2 3.42Å; A109-V113 PolarHBondContact O-N 3.28Å
110A94.4Very high94.1Very high57 Ų5790.6 Ų90.647%0.47150%0.503SS..Hα-helixtrans-64-42.7177.700000112.3I106 Y107 G112 V113 W114I106-A110 WeakPolarHBondContact O-CB 3.38Å; I106-A110 PolarHBondContact O-N 3.34Å; Y107-A110 PolarHBondContact O-N 3.13Å; A110-G112 VanDerWaalsContact C-N 3.34Å; A110-V113 PolarHBondContact O-N 3.21Å; A110-W114 WeakPolarHBondContact O-CB 3.27Å; A110-W114 PolarHBondContact O-N 2.88Å
111V94.8Very high93.9Very high49 Ų4991.8 Ų91.830%0.29751%0.51SS..Hα-helixtrans-63.8-40.1173.5171.40000111Y107 W114 Q115Y107-V111 HydrophobicContact CD1-CG2 4.2Å; Y107-V111 HydrophobicContact CE1-CG2 3.78Å; Y107-V111 HydrophobicContact CE2-CG2 4.14Å; Y107-V111 WeakPolarHBondContact O-CG2 3.42Å; Y107-V111 PolarHBondContact O-N 2.8Å; V111-W114 PolarHBondContact O-N 3.24Å; V111-Q115 HydrophobicContact CG1-CG 4.46Å; V111-Q115 WeakPolarHBondContact O-CB 3.42Å; V111-Q115 WeakPolarHBondContact O-CG 3.21Å; V111-Q115 PolarHBondContact O-N 3.39Å
112G93.8Very high93.8Very high30 Ų3092.7 Ų92.731%0.30951%0.512SS..Hα-helixtrans-59.5-49.7174.200000112.6L108 A109 A110 W114 Q115 T116L108-G112 PolarHBondContact O-N 3.46Å; A109-G112 PolarHBondContact O-N 2.86Å; A110-G112 VanDerWaalsContact C-N 3.34Å; G112-W114 VanDerWaalsContact C-N 3.33Å; G112-W114 PolarHBondContact O-N 3.44Å; G112-Q115 PolarHBondContact O-N 3.28Å; G112-T116 WeakPolarHBondContact O-CG2 3.28Å; G112-T116 PolarHBondContact O-N 2.87Å; G112-T116 PolarHBondContact O-OG1 3.47Å
113V93.7Very high93.8Very high90 Ų9097 Ų9755%0.54553%0.525SS..Hα-helixtrans-62.3-39.7175.4173.50000111.5A109 A110 Q115 T116 V117A109-V113 WeakPolarHBondContact O-CG2 3.42Å; A109-V113 PolarHBondContact O-N 3.28Å; A110-V113 PolarHBondContact O-N 3.21Å; V113-Q115 PolarHBondContact O-N 2.93Å; V113-T116 WeakPolarHBondContact CA-OG1 3.45Å; V113-T116 PolarHBondContact O-N 3.35Å; V113-T116 PolarHBondContact O-OG1 3.3Å; V113-V117 HydrophobicContact CG1-CG2 4.46Å; V113-V117 WeakPolarHBondContact O-CG2 3.36Å; V113-V117 PolarHBondContact O-N 3.26Å; V113-V117 VanDerWaalsContact O-N 3.07Å
114W95.1Very high93.9Very high197 Ų19794.9 Ų94.975%0.74652%0.517SS*.Hα-helixtrans-62.3-42.2175.7-174.8-94.4000112A110 V111 G112 V117 S118A110-W114 WeakPolarHBondContact O-CB 3.27Å; A110-W114 PolarHBondContact O-N 2.88Å; V111-W114 PolarHBondContact O-N 3.24Å; G112-W114 VanDerWaalsContact C-N 3.33Å; G112-W114 PolarHBondContact O-N 3.44Å; W114-V117 PolarHBondContact O-N 3.5Å; W114-S118 VanDerWaalsContact O-CB 3.24Å; W114-S118 WeakPolarHBondContact O-CB 3.17Å; W114-S118 PolarHBondContact O-N 2.89Å; W114-S118 PolarHBondContact O-OG 2.86Å
115Q92.6Very high93.8Very high124 Ų12494.1 Ų94.158%0.57952%0.516SS*.Hα-helixtrans-67.4-40.3177.4-74.1176.9-5.900112.5V111 G112 V113 V117 S118 S119V111-Q115 HydrophobicContact CG1-CG 4.46Å; V111-Q115 WeakPolarHBondContact O-CB 3.42Å; V111-Q115 WeakPolarHBondContact O-CG 3.21Å; V111-Q115 PolarHBondContact O-N 3.39Å; G112-Q115 PolarHBondContact O-N 3.28Å; V113-Q115 PolarHBondContact O-N 2.93Å; Q115-V117 VanDerWaalsContact C-N 3.32Å; Q115-V117 PolarHBondContact O-N 3.2Å; Q115-S118 PolarHBondContact O-OG 3.31Å; Q115-S119 WeakPolarHBondContact O-CB 3.22Å; Q115-S119 PolarHBondContact O-N 2.89Å; Q115-S119 VanDerWaalsContact O-N 3.16Å
116T90Very high94Very high97 Ų9793 Ų9360%0.59551%0.508SS*.Hα-helixtrans-69.6-27.1177.957.50000113.3G112 V113 P120G112-T116 WeakPolarHBondContact O-CG2 3.28Å; G112-T116 PolarHBondContact O-N 2.87Å; G112-T116 PolarHBondContact O-OG1 3.47Å; V113-T116 WeakPolarHBondContact CA-OG1 3.45Å; V113-T116 PolarHBondContact O-N 3.35Å; V113-T116 PolarHBondContact O-OG1 3.3Å; T116-P120 WeakPolarHBondContact O-CD 3.17Å; T116-P120 VanDerWaalsContact O-CG 3.27Å; T116-P120 WeakPolarHBondContact O-CG 3.27Å
117V93.4Very high94Very high89 Ų8993.1 Ų93.154%0.53951%0.509SS..Hα-helixtrans-86.1-40.8175.3174.60000112.4V113 W114 Q115 P120 L121V113-V117 HydrophobicContact CG1-CG2 4.46Å; V113-V117 WeakPolarHBondContact O-CG2 3.36Å; V113-V117 PolarHBondContact O-N 3.26Å; V113-V117 VanDerWaalsContact O-N 3.07Å; W114-V117 PolarHBondContact O-N 3.5Å; Q115-V117 VanDerWaalsContact C-N 3.32Å; Q115-V117 PolarHBondContact O-N 3.2Å; V117-P120 WeakPolarHBondContact O-CD 3.4Å; V117-P120 WeakPolarHBondContact O-CG 3.2Å; V117-L121 WeakPolarHBondContact O-CB 3.23Å; V117-L121 PolarHBondContact O-N 3.01Å
118S89.4Confident93.9Very high43 Ų4388.4 Ų88.430%0.30150%0.498SS..Hα-helixtrans-71.6-34.9-177.354.80000113.4W114 Q115 L121 Q122W114-S118 VanDerWaalsContact O-CB 3.24Å; W114-S118 WeakPolarHBondContact O-CB 3.17Å; W114-S118 PolarHBondContact O-N 2.89Å; W114-S118 PolarHBondContact O-OG 2.86Å; Q115-S118 PolarHBondContact O-OG 3.31Å; S118-L121 PolarHBondContact O-N 3.41Å; S118-Q122 WeakPolarHBondContact O-CB 3.44Å; S118-Q122 PolarHBondContact O-N 2.72Å
119S92.9Very high94Very high74 Ų7488.1 Ų88.152%0.51750%0.496SS..Hα-helixtrans-58.1-54.6177.7179.70000114.3Q115 L121 Q122 K123Q115-S119 WeakPolarHBondContact O-CB 3.22Å; Q115-S119 PolarHBondContact O-N 2.89Å; Q115-S119 VanDerWaalsContact O-N 3.16Å; S119-L121 VanDerWaalsContact C-N 3.34Å; S119-L121 PolarHBondContact O-N 2.86Å; S119-Q122 PolarHBondContact O-N 3.48Å; S119-K123 PolarHBondContact O-N 3.48Å; S119-K123 VanDerWaalsContact O-N 3.09Å
120P91.9Very high94Very high76 Ų7689.1 Ų89.149%0.49450%0.496SS..Hα-helixtrans-67.3-33176.926.9-35000112.5T116 V117 K123 A124T116-P120 WeakPolarHBondContact O-CD 3.17Å; T116-P120 VanDerWaalsContact O-CG 3.27Å; T116-P120 WeakPolarHBondContact O-CG 3.27Å; V117-P120 WeakPolarHBondContact O-CD 3.4Å; V117-P120 WeakPolarHBondContact O-CG 3.2Å; P120-K123 PolarHBondContact O-N 2.92Å; P120-A124 WeakPolarHBondContact O-CB 3.44Å; P120-A124 PolarHBondContact O-N 3.5Å
121L92.8Very high94.1Very high120 Ų12092 Ų9263%0.62850%0.498SS*.Hα-helixtrans-63.6-44.3175.3-17567.3000111.5V117 S118 S119 K123 A124 L125V117-L121 WeakPolarHBondContact O-CB 3.23Å; V117-L121 PolarHBondContact O-N 3.01Å; S118-L121 PolarHBondContact O-N 3.41Å; S119-L121 VanDerWaalsContact C-N 3.34Å; S119-L121 PolarHBondContact O-N 2.86Å; L121-K123 VanDerWaalsContact C-N 3.33Å; L121-K123 PolarHBondContact O-N 3.37Å; L121-A124 PolarHBondContact O-N 3.35Å; L121-L125 WeakPolarHBondContact O-CB 3.28Å; L121-L125 PolarHBondContact O-N 2.87Å
122Q95.1Very high94.2Very high95 Ų9596 Ų9644%0.44451%0.512SS..Hα-helixtrans-60.5-42174.6178.562.223.100111.3S118 S119 L125 E126S118-Q122 WeakPolarHBondContact O-CB 3.44Å; S118-Q122 PolarHBondContact O-N 2.72Å; S119-Q122 PolarHBondContact O-N 3.48Å; Q122-L125 PolarHBondContact O-N 2.72Å; Q122-E126 WeakPolarHBondContact CG-OE1 3.28Å; Q122-E126 PolarHBondContact NE2-OE1 2.84Å; Q122-E126 WeakPolarHBondContact O-CG 3.49Å; Q122-E126 PolarHBondContact O-N 3.44Å
123K94.5Very high94.3Very high124 Ų12498.1 Ų98.154%0.53952%0.519SS..Hα-helixtrans-68-36.9176.6-69.1-70.3156.7-153.70113S119 P120 L121 E126 L127S119-K123 PolarHBondContact O-N 3.48Å; S119-K123 VanDerWaalsContact O-N 3.09Å; P120-K123 PolarHBondContact O-N 2.92Å; L121-K123 VanDerWaalsContact C-N 3.33Å; L121-K123 PolarHBondContact O-N 3.37Å; K123-E126 IonicContact NZ-OE1 3.25Å; K123-E126 IonicContact NZ-OE2 3.98Å; K123-E126 PolarHBondContact NZ-OE2 3.29Å; K123-L127 VanDerWaalsContact O-CB 3.32Å; K123-L127 WeakPolarHBondContact O-CB 3.26Å; K123-L127 PolarHBondContact O-N 2.92Å
124A93.8Very high94.4Very high49 Ų49100.4 Ų100.441%0.40552%0.522SS..Hα-helixtrans-66.4-37.7172.400000111.9P120 L121 L127 T128P120-A124 WeakPolarHBondContact O-CB 3.44Å; P120-A124 PolarHBondContact O-N 3.5Å; L121-A124 PolarHBondContact O-N 3.35Å; A124-L127 PolarHBondContact O-N 3.33Å; A124-T128 WeakPolarHBondContact O-CB 3.3Å; A124-T128 WeakPolarHBondContact O-CG2 3.41Å; A124-T128 PolarHBondContact O-N 3.49Å; A124-T128 PolarHBondContact O-OG1 3.48Å
125L95.4Very high94.5Very high105 Ų10594.7 Ų94.755%0.5551%0.506SS..Hα-helixtrans-67-43.7175.5-174.762.2000112L121 Q122 T128 L129L121-L125 WeakPolarHBondContact O-CB 3.28Å; L121-L125 PolarHBondContact O-N 2.87Å; Q122-L125 PolarHBondContact O-N 2.72Å; L125-T128 WeakPolarHBondContact CA-OG1 3.37Å; L125-T128 PolarHBondContact O-N 2.83Å; L125-T128 PolarHBondContact O-OG1 2.92Å; L125-T128 VanDerWaalsContact O-OG1 3.05Å; L125-L129 VanDerWaalsContact O-CB 3.29Å; L125-L129 WeakPolarHBondContact O-CB 3.32Å; L125-L129 PolarHBondContact O-N 3.13Å
126E96.9Very high94.6Very high73 Ų7396.5 Ų96.534%0.34151%0.508SS..Hα-helixtrans-61.4-43.5173-74.1168.5-166.300111.8Q122 K123 L129 T130Q122-E126 WeakPolarHBondContact CG-OE1 3.28Å; Q122-E126 PolarHBondContact NE2-OE1 2.84Å; Q122-E126 WeakPolarHBondContact O-CG 3.49Å; Q122-E126 PolarHBondContact O-N 3.44Å; K123-E126 IonicContact NZ-OE1 3.25Å; K123-E126 IonicContact NZ-OE2 3.98Å; K123-E126 PolarHBondContact NZ-OE2 3.29Å; E126-L129 PolarHBondContact O-N 3.22Å; E126-T130 WeakPolarHBondContact O-CG2 3.42Å; E126-T130 PolarHBondContact O-N 3.39Å; E126-T130 PolarHBondContact O-OG1 2.97Å
127L96.2Very high94.9Very high121 Ų12195.5 Ų95.563%0.63451%0.505SS*.Hα-helixtrans-65.9-43.3178.5-174.666000112.1K123 A124 T130 F131K123-L127 VanDerWaalsContact O-CB 3.32Å; K123-L127 WeakPolarHBondContact O-CB 3.26Å; K123-L127 PolarHBondContact O-N 2.92Å; A124-L127 PolarHBondContact O-N 3.33Å; L127-T130 WeakPolarHBondContact CA-OG1 3.38Å; L127-T130 PolarHBondContact O-N 3.43Å; L127-T130 PolarHBondContact O-OG1 2.82Å; L127-F131 WeakPolarHBondContact O-CB 3.34Å; L127-F131 PolarHBondContact O-N 3.48Å
128T95Very high94.9Very high68 Ų6894 Ų9442%0.41750%0.499SS..Hα-helixtrans-67.7-40.5177.347.30000111.9A124 L125 F131 F132A124-T128 WeakPolarHBondContact O-CB 3.3Å; A124-T128 WeakPolarHBondContact O-CG2 3.41Å; A124-T128 PolarHBondContact O-N 3.49Å; A124-T128 PolarHBondContact O-OG1 3.48Å; L125-T128 WeakPolarHBondContact CA-OG1 3.37Å; L125-T128 PolarHBondContact O-N 2.83Å; L125-T128 PolarHBondContact O-OG1 2.92Å; L125-T128 VanDerWaalsContact O-OG1 3.05Å; T128-F131 PolarHBondContact O-N 2.81Å; T128-F132 WeakPolarHBondContact O-CD2 3.48Å; T128-F132 PolarHBondContact O-N 3.48Å
129L96.9Very high95.3Very high111 Ų11197.6 Ų97.658%0.58151%0.514SS*.Hα-helixtrans-61.7-46.6174.6-173.867.8000111.5L125 E126 F131 F132 T133L125-L129 VanDerWaalsContact O-CB 3.29Å; L125-L129 WeakPolarHBondContact O-CB 3.32Å; L125-L129 PolarHBondContact O-N 3.13Å; E126-L129 PolarHBondContact O-N 3.22Å; L129-F131 VanDerWaalsContact C-N 3.35Å; L129-F131 PolarHBondContact O-N 2.98Å; L129-F132 PolarHBondContact O-N 3.32Å; L129-T133 WeakPolarHBondContact O-CG2 3.44Å; L129-T133 PolarHBondContact O-N 3.27Å; L129-T133 PolarHBondContact O-OG1 2.99Å
130T96.4Very high95.4Very high79 Ų7997.2 Ų97.249%0.48551%0.508SS..Hα-helixtrans-63.2-39.9177.549.90000112E126 L127 T133 F134E126-T130 WeakPolarHBondContact O-CG2 3.42Å; E126-T130 PolarHBondContact O-N 3.39Å; E126-T130 PolarHBondContact O-OG1 2.97Å; L127-T130 WeakPolarHBondContact CA-OG1 3.38Å; L127-T130 PolarHBondContact O-N 3.43Å; L127-T130 PolarHBondContact O-OG1 2.82Å; T130-T133 WeakPolarHBondContact CA-OG1 3.37Å; T130-T133 PolarHBondContact O-N 2.84Å; T130-T133 PolarHBondContact O-OG1 3.47Å; T130-F134 PolarHBondContact O-N 3.1Å
131F96.6Very high95.5Very high117 Ų11795.6 Ų95.651%0.51351%0.505SS..Hα-helixtrans-59.2-46.6171.8177.8-105.6000112.6L127 T128 L129 T133 F134 L135L127-F131 WeakPolarHBondContact O-CB 3.34Å; L127-F131 PolarHBondContact O-N 3.48Å; T128-F131 PolarHBondContact O-N 2.81Å; L129-F131 VanDerWaalsContact C-N 3.35Å; L129-F131 PolarHBondContact O-N 2.98Å; F131-T133 PolarHBondContact O-N 3.07Å; F131-F134 PolarHBondContact O-N 2.94Å; F131-L135 HydrophobicContact CD1-CD1 4.02Å; F131-L135 HydrophobicContact CD1-CG 4.48Å; F131-L135 HydrophobicContact CE1-CD1 3.41Å; F131-L135 VanDerWaalsContact CE1-CD1 3.41Å; F131-L135 HydrophobicContact CE1-CG 4.12Å; F131-L135 HydrophobicContact CE2-CD1 4.39Å; F131-L135 HydrophobicContact CE2-CD2 4.44Å; F131-L135 HydrophobicContact CE2-CG 4.3Å; F131-L135 HydrophobicContact CZ-CD1 3.63Å; F131-L135 HydrophobicContact CZ-CD2 4.26Å; F131-L135 HydrophobicContact CZ-CG 4.02Å; F131-L135 WeakPolarHBondContact O-CG 3.32Å; F131-L135 PolarHBondContact O-N 3.38Å
132F95.9Very high95.4Very high134 Ų13493.1 Ų93.159%0.58850%0.495SS*.Hα-helixtrans-64.1-39.9176.1-78.6-61.5000112.9T128 L129 F134 L135 Y136T128-F132 WeakPolarHBondContact O-CD2 3.48Å; T128-F132 PolarHBondContact O-N 3.48Å; L129-F132 PolarHBondContact O-N 3.32Å; F132-F134 VanDerWaalsContact C-N 3.32Å; F132-F134 PolarHBondContact O-N 3.04Å; F132-L135 PolarHBondContact O-N 3.42Å; F132-Y136 WeakPolarHBondContact O-CB 3.31Å; F132-Y136 PolarHBondContact O-N 3.44Å
133T95.7Very high95.2Very high75 Ų7591.6 Ų91.646%0.4650%0.495SS..Hα-helixtrans-65.8-34.8175.859.20000112.6L129 T130 F131 S137L129-T133 WeakPolarHBondContact O-CG2 3.44Å; L129-T133 PolarHBondContact O-N 3.27Å; L129-T133 PolarHBondContact O-OG1 2.99Å; T130-T133 WeakPolarHBondContact CA-OG1 3.37Å; T130-T133 PolarHBondContact O-N 2.84Å; T130-T133 PolarHBondContact O-OG1 3.47Å; F131-T133 PolarHBondContact O-N 3.07Å; T133-S137 WeakPolarHBondContact O-CB 3.32Å; T133-S137 PolarHBondContact O-N 2.7Å; T133-S137 PolarHBondContact O-OG 2.9Å
134F96.3Very high95.1Very high137 Ų13788.7 Ų88.760%0.60150%0.495SS*.Hα-helixtrans-66.1-48.2172.6175.9-98.6000111.6T130 F131 F132 Y136 S137 S138T130-F134 PolarHBondContact O-N 3.1Å; F131-F134 PolarHBondContact O-N 2.94Å; F132-F134 VanDerWaalsContact C-N 3.32Å; F132-F134 PolarHBondContact O-N 3.04Å; F134-Y136 VanDerWaalsContact C-N 3.34Å; F134-Y136 PolarHBondContact O-N 3.15Å; F134-S137 PolarHBondContact O-N 2.96Å; F134-S138 WeakPolarHBondContact O-CB 3.42Å; F134-S138 PolarHBondContact O-N 2.94Å
135L96.1Very high95.1Very high78 Ų7894.3 Ų94.341%0.40851%0.51SS..Hα-helixtrans-58.5-45.2176-73.5-175.7000111.9F131 F132 S138 L139F131-L135 HydrophobicContact CD1-CD1 4.02Å; F131-L135 HydrophobicContact CD1-CG 4.48Å; F131-L135 HydrophobicContact CE1-CD1 3.41Å; F131-L135 VanDerWaalsContact CE1-CD1 3.41Å; F131-L135 HydrophobicContact CE1-CG 4.12Å; F131-L135 HydrophobicContact CE2-CD1 4.39Å; F131-L135 HydrophobicContact CE2-CD2 4.44Å; F131-L135 HydrophobicContact CE2-CG 4.3Å; F131-L135 HydrophobicContact CZ-CD1 3.63Å; F131-L135 HydrophobicContact CZ-CD2 4.26Å; F131-L135 HydrophobicContact CZ-CG 4.02Å; F131-L135 WeakPolarHBondContact O-CG 3.32Å; F131-L135 PolarHBondContact O-N 3.38Å; F132-L135 PolarHBondContact O-N 3.42Å; L135-S138 PolarHBondContact O-N 3.06Å; L135-L139 WeakPolarHBondContact O-CB 3.3Å; L135-L139 PolarHBondContact O-N 3.31Å
136Y96Very high95Very high162 Ų16294.5 Ų94.564%0.63551%0.511SS*.Hα-helixtrans-60-48175.9176.4-98000111.7F132 F134 S138 L139 V140F132-Y136 WeakPolarHBondContact O-CB 3.31Å; F132-Y136 PolarHBondContact O-N 3.44Å; F134-Y136 VanDerWaalsContact C-N 3.34Å; F134-Y136 PolarHBondContact O-N 3.15Å; Y136-S138 VanDerWaalsContact C-N 3.32Å; Y136-S138 PolarHBondContact O-N 3.29Å; Y136-L139 PolarHBondContact O-N 3.3Å; Y136-V140 HydrophobicContact CD1-CG2 4.28Å; Y136-V140 HydrophobicContact CD2-CG2 4.3Å; Y136-V140 HydrophobicContact CE1-CG2 3.86Å; Y136-V140 HydrophobicContact CE2-CG2 3.88Å; Y136-V140 HydrophobicContact CG-CG2 4.49Å; Y136-V140 WeakPolarHBondContact O-CB 3.17Å; Y136-V140 WeakPolarHBondContact O-CG2 3.3Å; Y136-V140 PolarHBondContact O-N 3.29Å
137S95.7Very high94.9Very high75 Ų7599.4 Ų99.452%0.52453%0.527SS..Hα-helixtrans-63.2-39179.7-56.50000112T133 F134 G141T133-S137 WeakPolarHBondContact O-CB 3.32Å; T133-S137 PolarHBondContact O-N 2.7Å; T133-S137 PolarHBondContact O-OG 2.9Å; F134-S137 PolarHBondContact O-N 2.96Å; S137-G141 PolarHBondContact O-N 3.39Å
138S94.3Very high94.6Very high59 Ų5997.2 Ų97.241%0.41352%0.521SS..Hα-helixtrans-66.3-42.8174.5-174.80000112.1F134 L135 Y136 G141 T142F134-S138 WeakPolarHBondContact O-CB 3.42Å; F134-S138 PolarHBondContact O-N 2.94Å; L135-S138 PolarHBondContact O-N 3.06Å; Y136-S138 VanDerWaalsContact C-N 3.32Å; Y136-S138 PolarHBondContact O-N 3.29Å; S138-G141 PolarHBondContact O-N 2.96Å; S138-T142 WeakPolarHBondContact O-CB 3.3Å; S138-T142 WeakPolarHBondContact O-CG2 3.35Å; S138-T142 PolarHBondContact O-N 2.88Å; S138-T142 PolarHBondContact O-OG1 2.96Å
139L96.3Very high94.5Very high117 Ų11797.3 Ų97.361%0.61352%0.523SS*.Hα-helixtrans-66.4-40.8177.3-174.463.9000112.1L135 Y136 T142 S143L135-L139 WeakPolarHBondContact O-CB 3.3Å; L135-L139 PolarHBondContact O-N 3.31Å; Y136-L139 PolarHBondContact O-N 3.3Å; L139-T142 WeakPolarHBondContact CA-OG1 3.39Å; L139-T142 PolarHBondContact O-OG1 2.82Å; L139-S143 VanDerWaalsContact O-CB 3.27Å; L139-S143 WeakPolarHBondContact O-CB 3.25Å; L139-S143 PolarHBondContact O-N 3.07Å; L139-S143 PolarHBondContact O-OG 3.27Å
140V95.6Very high94.3Very high66 Ų6695.2 Ų95.240%0.452%0.517SS..Hα-helixtrans-66.7-43174.1172.60000110.9Y136 S143 A144Y136-V140 HydrophobicContact CD1-CG2 4.28Å; Y136-V140 HydrophobicContact CD2-CG2 4.3Å; Y136-V140 HydrophobicContact CE1-CG2 3.86Å; Y136-V140 HydrophobicContact CE2-CG2 3.88Å; Y136-V140 HydrophobicContact CG-CG2 4.49Å; Y136-V140 WeakPolarHBondContact O-CB 3.17Å; Y136-V140 WeakPolarHBondContact O-CG2 3.3Å; Y136-V140 PolarHBondContact O-N 3.29Å; V140-S143 WeakPolarHBondContact CA-OG 3.49Å; V140-S143 PolarHBondContact O-OG 2.72Å; V140-S143 VanDerWaalsContact O-OG 3.1Å; V140-A144 WeakPolarHBondContact O-CB 3.49Å; V140-A144 PolarHBondContact O-N 2.89Å
141G93.6Very high94.2Very high42 Ų4296.3 Ų96.343%0.43352%0.515SS..Hα-helixtrans-63.2-46.517700000113.1S137 S138 A144 F145S137-G141 PolarHBondContact O-N 3.39Å; S138-G141 PolarHBondContact O-N 2.96Å; G141-A144 PolarHBondContact O-N 3.43Å; G141-F145 WeakPolarHBondContact O-CB 3.14Å; G141-F145 PolarHBondContact O-N 3.47Å
142T92.2Very high94.1Very high68 Ų6896.3 Ų96.342%0.41752%0.52SS..Hα-helixtrans-67.4-41.5178.149.30000112.5S138 L139 F145 L146S138-T142 WeakPolarHBondContact O-CB 3.3Å; S138-T142 WeakPolarHBondContact O-CG2 3.35Å; S138-T142 PolarHBondContact O-N 2.88Å; S138-T142 PolarHBondContact O-OG1 2.96Å; L139-T142 WeakPolarHBondContact CA-OG1 3.39Å; L139-T142 PolarHBondContact O-OG1 2.82Å; T142-F145 PolarHBondContact O-N 2.87Å; T142-L146 WeakPolarHBondContact O-CB 3.39Å; T142-L146 WeakPolarHBondContact O-CG 3.11Å; T142-L146 PolarHBondContact O-N 3.26Å
143S90.2Very high94.1Very high63 Ų6395.1 Ų95.144%0.44152%0.519SS..Hα-helixtrans-66.6-39.2174.856.60000112.6L139 V140 L146 W147L139-S143 VanDerWaalsContact O-CB 3.27Å; L139-S143 WeakPolarHBondContact O-CB 3.25Å; L139-S143 PolarHBondContact O-N 3.07Å; L139-S143 PolarHBondContact O-OG 3.27Å; V140-S143 WeakPolarHBondContact CA-OG 3.49Å; V140-S143 PolarHBondContact O-OG 2.72Å; V140-S143 VanDerWaalsContact O-OG 3.1Å; S143-L146 PolarHBondContact O-N 3.38Å; S143-W147 VanDerWaalsContact O-CB 3.3Å; S143-W147 WeakPolarHBondContact O-CB 3.27Å; S143-W147 PolarHBondContact O-N 2.87Å
144A92.5Very high94.1Very high64 Ų6496.3 Ų96.353%0.52952%0.522SS..Hα-helixtrans-64.4-39.4173.300000112.5V140 G141 W147V140-A144 WeakPolarHBondContact O-CB 3.49Å; V140-A144 PolarHBondContact O-N 2.89Å; G141-A144 PolarHBondContact O-N 3.43Å; A144-W147 PolarHBondContact O-N 3.36Å
145F92.7Very high94.1Very high166 Ų16693.5 Ų93.573%0.72851%0.513SS*.Hα-helixtrans-65.5-42.2175.1-174.6-98.7000112.2G141 T142 P149G141-F145 WeakPolarHBondContact O-CB 3.14Å; G141-F145 PolarHBondContact O-N 3.47Å; T142-F145 PolarHBondContact O-N 2.87Å; F145-P149 WeakPolarHBondContact O-CD 3.34Å
146L93.8Very high94.1Very high109 Ų10996 Ų9657%0.57152%0.521SS*.Hα-helixtrans-73-25.9176.7-73.4166.7000113.5T142 S143 S148 P149 C150T142-L146 WeakPolarHBondContact O-CB 3.39Å; T142-L146 WeakPolarHBondContact O-CG 3.11Å; T142-L146 PolarHBondContact O-N 3.26Å; S143-L146 PolarHBondContact O-N 3.38Å; L146-S148 PolarHBondContact O-N 2.88Å; L146-P149 VanDerWaalsContact O-CD 3.3Å; L146-P149 WeakPolarHBondContact O-CD 3.22Å; L146-P149 WeakPolarHBondContact O-CG 3.43Å; L146-C150 WeakPolarHBondContact O-CB 3.4Å; L146-C150 PolarHBondContact O-N 3.24Å
147W94.4Very high94.1Very high177 Ų17792.1 Ų92.167%0.6751%0.511SS*.Hα-helixtrans-60.1-43.1-179.2177.4-106.4000112.6S143 A144 C150 K151S143-W147 VanDerWaalsContact O-CB 3.3Å; S143-W147 WeakPolarHBondContact O-CB 3.27Å; S143-W147 PolarHBondContact O-N 2.87Å; A144-W147 PolarHBondContact O-N 3.36Å; W147-C150 PolarHBondContact O-N 3.41Å; W147-K151 WeakPolarHBondContact O-CB 3.31Å; W147-K151 PolarHBondContact O-N 3.39Å
148S90.5Very high94.1Very high74 Ų7491.5 Ų91.552%0.51751%0.51SS..Hα-helixtrans-60.6-56.3-179.3-175.30000113.7L146 C150 K151 L152L146-S148 PolarHBondContact O-N 2.88Å; S148-C150 PolarHBondContact O-N 2.76Å; S148-K151 PolarHBondContact O-N 2.86Å; S148-L152 PolarHBondContact O-N 2.85Å
149P92.6Very high94.2Very high70 Ų7092.4 Ų92.446%0.45552%0.516SS..Hα-helixtrans-67.3-34.1176.926.9-34.6000112.7F145 L146 L152 L153F145-P149 WeakPolarHBondContact O-CD 3.34Å; L146-P149 VanDerWaalsContact O-CD 3.3Å; L146-P149 WeakPolarHBondContact O-CD 3.22Å; L146-P149 WeakPolarHBondContact O-CG 3.43Å; P149-L152 PolarHBondContact O-N 3.24Å; P149-L153 PolarHBondContact O-N 3.08Å
150C92.8Very high94.1Very high68 Ų6890.5 Ų90.546%0.45951%0.507SS..Hα-helixtrans-66.2-42.3177.1-168.80000111.4L146 W147 S148 L153 L154L146-C150 WeakPolarHBondContact O-CB 3.4Å; L146-C150 PolarHBondContact O-N 3.24Å; W147-C150 PolarHBondContact O-N 3.41Å; S148-C150 PolarHBondContact O-N 2.76Å; C150-L153 PolarHBondContact O-N 2.99Å; C150-L154 WeakPolarHBondContact O-CG 3.43Å; C150-L154 PolarHBondContact O-N 3.25Å
151K94.6Very high94.1Very high102 Ų10291.3 Ų91.344%0.44351%0.511SS..Hα-helixtrans-60.5-47.5172.7-178.2-178.3173.9-172.50111.5W147 S148 L153 L154 D155W147-K151 WeakPolarHBondContact O-CB 3.31Å; W147-K151 PolarHBondContact O-N 3.39Å; S148-K151 PolarHBondContact O-N 2.86Å; K151-L153 VanDerWaalsContact C-N 3.27Å; K151-L153 PolarHBondContact O-N 3.13Å; K151-L154 PolarHBondContact O-N 3.39Å; K151-L154 VanDerWaalsContact O-N 3.13Å; K151-D155 VanDerWaalsContact CE-OD2 3.25Å; K151-D155 WeakPolarHBondContact CE-OD2 3.38Å; K151-D155 WeakPolarHBondContact CG-OD2 3.4Å; K151-D155 WeakPolarHBondContact O-CB 3.36Å; K151-D155 PolarHBondContact O-N 2.87Å
152L95.2Very high94.2Very high116 Ų11695.3 Ų95.361%0.60752%0.519SS*.Hα-helixtrans-57.8-39.4176.3-79.5170.7000112.4S148 P149 F156S148-L152 PolarHBondContact O-N 2.85Å; P149-L152 PolarHBondContact O-N 3.24Å; L152-F156 VanDerWaalsContact O-CB 3.3Å; L152-F156 WeakPolarHBondContact O-CB 3.41Å; L152-F156 PolarHBondContact O-N 3.17Å
153L94.9Very high94.3Very high109 Ų10996.8 Ų96.857%0.57152%0.522SS*.Hα-helixtrans-66.4-40.5176.5-157.599.7000111.9P149 C150 K151 L157P149-L153 PolarHBondContact O-N 3.08Å; C150-L153 PolarHBondContact O-N 2.99Å; K151-L153 VanDerWaalsContact C-N 3.27Å; K151-L153 PolarHBondContact O-N 3.13Å; L153-L157 HydrophobicContact CD2-CD1 4.24Å; L153-L157 WeakPolarHBondContact O-CB 3.39Å; L153-L157 VanDerWaalsContact O-CG 3.31Å; L153-L157 WeakPolarHBondContact O-CG 3.34Å; L153-L157 PolarHBondContact O-N 3.01Å
154L95.2Very high94.3Very high100 Ų10099.4 Ų99.452%0.52453%0.526SS..Hα-helixtrans-67.5-43.6175.8-70.9170.5000112.1C150 K151 F156 L157 A158C150-L154 WeakPolarHBondContact O-CG 3.43Å; C150-L154 PolarHBondContact O-N 3.25Å; K151-L154 PolarHBondContact O-N 3.39Å; K151-L154 VanDerWaalsContact O-N 3.13Å; L154-F156 VanDerWaalsContact C-N 3.32Å; L154-F156 PolarHBondContact O-N 3Å; L154-L157 PolarHBondContact O-N 3.4Å; L154-A158 WeakPolarHBondContact O-CB 3.33Å; L154-A158 PolarHBondContact O-N 3.45Å
155D96.3Very high94.3Very high78 Ų78100.2 Ų100.242%0.41752%0.52SS..Hα-helixtrans-63.9-38.3176.3-70.8-21000110.8K151 S159K151-D155 VanDerWaalsContact CE-OD2 3.25Å; K151-D155 WeakPolarHBondContact CE-OD2 3.38Å; K151-D155 WeakPolarHBondContact CG-OD2 3.4Å; K151-D155 WeakPolarHBondContact O-CB 3.36Å; K151-D155 PolarHBondContact O-N 2.87Å; D155-S159 WeakPolarHBondContact O-CB 3.38Å; D155-S159 PolarHBondContact O-N 3.16Å; D155-S159 PolarHBondContact O-OG 2.84Å
156F96.4Very high94.3Very high131 Ų13194.8 Ų94.858%0.57550%0.503SS*.Hα-helixtrans-64.8-47.7171.9175-99.2000112.2L152 L154 A158 S159 L160L152-F156 VanDerWaalsContact O-CB 3.3Å; L152-F156 WeakPolarHBondContact O-CB 3.41Å; L152-F156 PolarHBondContact O-N 3.17Å; L154-F156 VanDerWaalsContact C-N 3.32Å; L154-F156 PolarHBondContact O-N 3Å; F156-A158 PolarHBondContact O-N 2.87Å; F156-S159 PolarHBondContact O-N 3.08Å; F156-L160 HydrophobicContact CE1-CD2 4.46Å; F156-L160 WeakPolarHBondContact O-CB 3.42Å; F156-L160 PolarHBondContact O-N 3.26Å
157L95.6Very high94.2Very high81 Ų8194 Ų9442%0.42450%0.498SS..Hα-helixtrans-61.4-43177.2-78.1166.9000111.8L153 L154 S159 L160 V161L153-L157 HydrophobicContact CD2-CD1 4.24Å; L153-L157 WeakPolarHBondContact O-CB 3.39Å; L153-L157 VanDerWaalsContact O-CG 3.31Å; L153-L157 WeakPolarHBondContact O-CG 3.34Å; L153-L157 PolarHBondContact O-N 3.01Å; L154-L157 PolarHBondContact O-N 3.4Å; L157-S159 VanDerWaalsContact C-N 3.34Å; L157-S159 PolarHBondContact O-N 3.47Å; L157-L160 PolarHBondContact O-N 2.88Å; L157-V161 WeakPolarHBondContact O-CB 3.28Å; L157-V161 WeakPolarHBondContact O-CG2 3.48Å; L157-V161 PolarHBondContact O-N 2.83Å
158A96.3Very high93.9Very high62 Ų6290.6 Ų90.651%0.51249%0.488SS..Hα-helixtrans-61.7-42.2174.900000111.6L154 F156 V161 H162L154-A158 WeakPolarHBondContact O-CB 3.33Å; L154-A158 PolarHBondContact O-N 3.45Å; F156-A158 PolarHBondContact O-N 2.87Å; A158-V161 PolarHBondContact O-N 2.76Å; A158-H162 WeakPolarHBondContact O-CB 3.47Å; A158-H162 PolarHBondContact O-N 2.78Å
159S96Very high93.9Very high77 Ų7790.9 Ų90.954%0.53848%0.483SS..Hα-helixtrans-65.3-40.9176.1-59.30000112.3D155 F156 L157 H162 M163D155-S159 WeakPolarHBondContact O-CB 3.38Å; D155-S159 PolarHBondContact O-N 3.16Å; D155-S159 PolarHBondContact O-OG 2.84Å; F156-S159 PolarHBondContact O-N 3.08Å; L157-S159 VanDerWaalsContact C-N 3.34Å; L157-S159 PolarHBondContact O-N 3.47Å; S159-H162 PolarHBondContact O-N 3.44Å; S159-M163 WeakPolarHBondContact O-CB 3.29Å; S159-M163 PolarHBondContact O-N 2.82Å
160L95.4Very high93.7Very high78 Ų7893.7 Ų93.741%0.40849%0.494SS..Hα-helixtrans-63.7-44.9176-176.169.9000111.3F156 L157 M163 F164F156-L160 HydrophobicContact CE1-CD2 4.46Å; F156-L160 WeakPolarHBondContact O-CB 3.42Å; F156-L160 PolarHBondContact O-N 3.26Å; L157-L160 PolarHBondContact O-N 2.88Å; L160-M163 HydrophobicContact CD1-CE 4.11Å; L160-M163 PolarHBondContact O-N 2.85Å; L160-F164 WeakPolarHBondContact O-CB 3.47Å; L160-F164 PolarHBondContact O-N 3.46Å
161V95.4Very high93.5Very high82 Ų8295.7 Ų95.750%0.49750%0.5SS..Hα-helixtrans-63.4-42.9174.8169.40000110.8L157 A158 M163 F164 I165L157-V161 WeakPolarHBondContact O-CB 3.28Å; L157-V161 WeakPolarHBondContact O-CG2 3.48Å; L157-V161 PolarHBondContact O-N 2.83Å; A158-V161 PolarHBondContact O-N 2.76Å; V161-M163 PolarHBondContact O-N 2.92Å; V161-F164 PolarHBondContact O-N 3.23Å; V161-I165 HydrophobicContact CG1-CD1 3.66Å; V161-I165 HydrophobicContact CG1-CG1 4.33Å; V161-I165 WeakPolarHBondContact O-CB 3.48Å; V161-I165 VanDerWaalsContact O-CG1 3.26Å; V161-I165 WeakPolarHBondContact O-CG1 3.38Å; V161-I165 PolarHBondContact O-N 3.41Å
162H94.9Very high93.3Very high127 Ų12795.8 Ų95.859%0.58850%0.504SS*.Hα-helixtrans-62.6-42.6176-175.7-84.8000112.2A158 S159 S166A158-H162 WeakPolarHBondContact O-CB 3.47Å; A158-H162 PolarHBondContact O-N 2.78Å; S159-H162 PolarHBondContact O-N 3.44Å; H162-S166 PolarHBondContact CE1-OG 3.29Å; H162-S166 VanDerWaalsContact O-CB 3.28Å; H162-S166 WeakPolarHBondContact O-CB 3.38Å; H162-S166 PolarHBondContact O-N 2.94Å; H162-S166 PolarHBondContact O-OG 2.94Å
163M94.3Very high93.2Very high99 Ų9997.6 Ų97.649%0.48850%0.504SS..Hα-helixtrans-61.7-46.6174.3-173.6-163.475.400111.1S159 L160 V161 S166 I167S159-M163 WeakPolarHBondContact O-CB 3.29Å; S159-M163 PolarHBondContact O-N 2.82Å; L160-M163 HydrophobicContact CD1-CE 4.11Å; L160-M163 PolarHBondContact O-N 2.85Å; V161-M163 PolarHBondContact O-N 2.92Å; M163-S166 PolarHBondContact O-N 2.93Å; M163-I167 HydrophobicContact CE-CD1 4.1Å; M163-I167 HydrophobicContact CG-CD1 3.8Å; M163-I167 HydrophobicContact CG-CG1 4.47Å; M163-I167 VanDerWaalsContact O-CG1 3.32Å; M163-I167 WeakPolarHBondContact O-CG1 3.43Å; M163-I167 PolarHBondContact O-N 2.97Å; M163-I167 HydrophobicContact SD-CD1 4.27Å
164F91.4Very high92.9Very high118 Ų11894 Ų9452%0.51849%0.493SS..Hα-helixtrans-59.2-52177.5-171-87.3000111L160 V161 S166 I167 F168L160-F164 WeakPolarHBondContact O-CB 3.47Å; L160-F164 PolarHBondContact O-N 3.46Å; V161-F164 PolarHBondContact O-N 3.23Å; F164-S166 VanDerWaalsContact C-N 3.3Å; F164-S166 PolarHBondContact O-N 3.37Å; F164-I167 PolarHBondContact O-N 3.5Å; F164-F168 AromaticContact CD1-CD2 3.8Å; F164-F168 HydrophobicContact CD1-CD2 3.8Å; F164-F168 HydrophobicContact CD1-CE2 4.07Å; F164-F168 HydrophobicContact CD1-CG 4.47Å; F164-F168 HydrophobicContact CD2-CD2 4.16Å; F164-F168 AromaticContact CD2-CE2 3.79Å; F164-F168 HydrophobicContact CD2-CE2 3.79Å; F164-F168 AromaticContact CE1-CD2 3.65Å; F164-F168 HydrophobicContact CE1-CD2 3.65Å; F164-F168 AromaticContact CE1-CE2 3.62Å; F164-F168 HydrophobicContact CE1-CE2 3.62Å; F164-F168 HydrophobicContact CE1-CG 4.17Å; F164-F168 HydrophobicContact CE1-CZ 4.11Å; F164-F168 HydrophobicContact CE2-CD2 4.04Å; F164-F168 AromaticContact CE2-CE2 3.31Å; F164-F168 HydrophobicContact CE2-CE2 3.31Å; F164-F168 AromaticContact CE2-CZ 3.92Å; F164-F168 HydrophobicContact CE2-CZ 3.92Å; F164-F168 HydrophobicContact CG-CD2 4.05Å; F164-F168 HydrophobicContact CG-CE2 4.15Å; F164-F168 AromaticContact CZ-CD2 3.79Å; F164-F168 HydrophobicContact CZ-CD2 3.79Å; F164-F168 HydrophobicContact CZ-CE1 4.32Å; F164-F168 AromaticContact CZ-CE2 3.22Å; F164-F168 HydrophobicContact CZ-CE2 3.22Å; F164-F168 AromaticContact CZ-CZ 3.53Å; F164-F168 HydrophobicContact CZ-CZ 3.53Å; F164-F168 WeakPolarHBondContact O-CB 3.29Å; F164-F168 VanDerWaalsContact O-CD2 3.3Å; F164-F168 WeakPolarHBondContact O-CD2 3.48Å; F164-F168 PolarHBondContact O-N 2.92Å
165I92.2Very high92.7Very high81 Ų8194.5 Ų94.542%0.41550%0.496SS..Hα-helixtrans-55.7-46.2175.7-70.3169.8000110.5V161 I167 F168 I169V161-I165 HydrophobicContact CG1-CD1 3.66Å; V161-I165 HydrophobicContact CG1-CG1 4.33Å; V161-I165 WeakPolarHBondContact O-CB 3.48Å; V161-I165 VanDerWaalsContact O-CG1 3.26Å; V161-I165 WeakPolarHBondContact O-CG1 3.38Å; V161-I165 PolarHBondContact O-N 3.41Å; I165-I167 PolarHBondContact O-N 2.83Å; I165-F168 PolarHBondContact O-N 2.72Å; I165-I169 HydrophobicContact CG2-CD1 3.49Å; I165-I169 VanDerWaalsContact CG2-CD1 3.49Å; I165-I169 HydrophobicContact CG2-CG1 4.19Å; I165-I169 WeakPolarHBondContact O-CB 3.42Å; I165-I169 VanDerWaalsContact O-CG1 3.22Å; I165-I169 WeakPolarHBondContact O-CG1 3.34Å; I165-I169 PolarHBondContact O-N 3.33Å
166S91.6Very high92.5Very high51 Ų5195.5 Ų95.536%0.35750%0.501SS..Hα-helixtrans-62.1-45.3-179.7-60.40000112.5H162 M163 F164 L170H162-S166 PolarHBondContact CE1-OG 3.29Å; H162-S166 VanDerWaalsContact O-CB 3.28Å; H162-S166 WeakPolarHBondContact O-CB 3.38Å; H162-S166 PolarHBondContact O-N 2.94Å; H162-S166 PolarHBondContact O-OG 2.94Å; M163-S166 PolarHBondContact O-N 2.93Å; F164-S166 VanDerWaalsContact C-N 3.3Å; F164-S166 PolarHBondContact O-N 3.37Å; S166-L170 WeakPolarHBondContact O-CB 3.13Å; S166-L170 PolarHBondContact O-N 2.83Å
167I91.7Very high92.3Very high94 Ų9494.3 Ų94.348%0.48250%0.5SS..Hα-helixtrans-65-47.6178.4-69.2167.7000110.5M163 F164 I165 L170 N171M163-I167 HydrophobicContact CE-CD1 4.1Å; M163-I167 HydrophobicContact CG-CD1 3.8Å; M163-I167 HydrophobicContact CG-CG1 4.47Å; M163-I167 VanDerWaalsContact O-CG1 3.32Å; M163-I167 WeakPolarHBondContact O-CG1 3.43Å; M163-I167 PolarHBondContact O-N 2.97Å; M163-I167 HydrophobicContact SD-CD1 4.27Å; F164-I167 PolarHBondContact O-N 3.5Å; I165-I167 PolarHBondContact O-N 2.83Å; I167-L170 PolarHBondContact O-N 3.46Å; I167-N171 VanDerWaalsContact O-CB 3.23Å; I167-N171 WeakPolarHBondContact O-CB 3.49Å; I167-N171 PolarHBondContact O-N 3.34Å
168F89.1Confident92.1Very high104 Ų10494.4 Ų94.446%0.45650%0.504SS..Hα-helixtrans-65.9-42.9-179.4-86.4-100.7000111.9F164 I165 N171 I172F164-F168 AromaticContact CD1-CD2 3.8Å; F164-F168 HydrophobicContact CD1-CD2 3.8Å; F164-F168 HydrophobicContact CD1-CE2 4.07Å; F164-F168 HydrophobicContact CD1-CG 4.47Å; F164-F168 HydrophobicContact CD2-CD2 4.16Å; F164-F168 AromaticContact CD2-CE2 3.79Å; F164-F168 HydrophobicContact CD2-CE2 3.79Å; F164-F168 AromaticContact CE1-CD2 3.65Å; F164-F168 HydrophobicContact CE1-CD2 3.65Å; F164-F168 AromaticContact CE1-CE2 3.62Å; F164-F168 HydrophobicContact CE1-CE2 3.62Å; F164-F168 HydrophobicContact CE1-CG 4.17Å; F164-F168 HydrophobicContact CE1-CZ 4.11Å; F164-F168 HydrophobicContact CE2-CD2 4.04Å; F164-F168 AromaticContact CE2-CE2 3.31Å; F164-F168 HydrophobicContact CE2-CE2 3.31Å; F164-F168 AromaticContact CE2-CZ 3.92Å; F164-F168 HydrophobicContact CE2-CZ 3.92Å; F164-F168 HydrophobicContact CG-CD2 4.05Å; F164-F168 HydrophobicContact CG-CE2 4.15Å; F164-F168 AromaticContact CZ-CD2 3.79Å; F164-F168 HydrophobicContact CZ-CD2 3.79Å; F164-F168 HydrophobicContact CZ-CE1 4.32Å; F164-F168 AromaticContact CZ-CE2 3.22Å; F164-F168 HydrophobicContact CZ-CE2 3.22Å; F164-F168 AromaticContact CZ-CZ 3.53Å; F164-F168 HydrophobicContact CZ-CZ 3.53Å; F164-F168 WeakPolarHBondContact O-CB 3.29Å; F164-F168 VanDerWaalsContact O-CD2 3.3Å; F164-F168 WeakPolarHBondContact O-CD2 3.48Å; F164-F168 PolarHBondContact O-N 2.92Å; I165-F168 PolarHBondContact O-N 2.72Å; F168-N171 PolarHBondContact O-N 3.44Å; F168-I172 WeakPolarHBondContact O-CB 3.36Å; F168-I172 WeakPolarHBondContact O-CD1 3.46Å; F168-I172 WeakPolarHBondContact O-CG1 3.42Å; F168-I172 PolarHBondContact O-N 3.42Å
169I89Confident92Very high81 Ų8194.7 Ų94.742%0.41550%0.499SS..Hα-helixtrans-63.5-46.2175.8-73-178.8000111I165 N171 I172 Y173I165-I169 HydrophobicContact CG2-CD1 3.49Å; I165-I169 VanDerWaalsContact CG2-CD1 3.49Å; I165-I169 HydrophobicContact CG2-CG1 4.19Å; I165-I169 WeakPolarHBondContact O-CB 3.42Å; I165-I169 VanDerWaalsContact O-CG1 3.22Å; I165-I169 WeakPolarHBondContact O-CG1 3.34Å; I165-I169 PolarHBondContact O-N 3.33Å; I169-N171 VanDerWaalsContact C-N 3.34Å; I169-N171 PolarHBondContact O-N 2.75Å; I169-I172 PolarHBondContact O-N 2.82Å; I169-Y173 HydrophobicContact CG2-CD2 3.48Å; I169-Y173 VanDerWaalsContact CG2-CD2 3.48Å; I169-Y173 HydrophobicContact CG2-CE2 3.32Å; I169-Y173 VanDerWaalsContact O-CD2 3.27Å; I169-Y173 WeakPolarHBondContact O-CD2 3.46Å; I169-Y173 PolarHBondContact O-N 3.49Å
170L89.9Confident91.8Very high128 Ų12894 Ų9467%0.6749%0.491SS*.Hα-helixtrans-63.9-39.5178.8-175.563.2000111.7S166 I167 Y173 G174S166-L170 WeakPolarHBondContact O-CB 3.13Å; S166-L170 PolarHBondContact O-N 2.83Å; I167-L170 PolarHBondContact O-N 3.46Å; L170-Y173 PolarHBondContact O-N 3.03Å; L170-G174 PolarHBondContact O-N 3.13Å
171N87.3Confident91.7Very high111 Ų11194.7 Ų94.759%0.59449%0.494SS*.Hα-helixtrans-66.9-42.8176.2-169.528.4000111.9I167 F168 I169 G174 L175I167-N171 VanDerWaalsContact O-CB 3.23Å; I167-N171 WeakPolarHBondContact O-CB 3.49Å; I167-N171 PolarHBondContact O-N 3.34Å; F168-N171 PolarHBondContact O-N 3.44Å; I169-N171 VanDerWaalsContact C-N 3.34Å; I169-N171 PolarHBondContact O-N 2.75Å; N171-G174 PolarHBondContact O-N 3.47Å; N171-L175 WeakPolarHBondContact O-CB 3.49Å; N171-L175 PolarHBondContact O-N 2.95Å
172I91.6Very high91.5Very high104 Ų10493.3 Ų93.353%0.53349%0.492SS..Hα-helixtrans-62.1-45.4175.1-71.3164.8000110.8F168 I169 L175 L176F168-I172 WeakPolarHBondContact O-CB 3.36Å; F168-I172 WeakPolarHBondContact O-CD1 3.46Å; F168-I172 WeakPolarHBondContact O-CG1 3.42Å; F168-I172 PolarHBondContact O-N 3.42Å; I169-I172 PolarHBondContact O-N 2.82Å; I172-L175 PolarHBondContact O-N 3.19Å; I172-L176 WeakPolarHBondContact O-CB 3.4Å; I172-L176 PolarHBondContact O-N 2.92Å
173Y91.8Very high91.3Very high154 Ų15492.4 Ų92.460%0.60449%0.491SS*.Hα-helixtrans-67.4-37.8176.4-75.6-51.6000112.7I169 L170 L176 L177I169-Y173 HydrophobicContact CG2-CD2 3.48Å; I169-Y173 VanDerWaalsContact CG2-CD2 3.48Å; I169-Y173 HydrophobicContact CG2-CE2 3.32Å; I169-Y173 VanDerWaalsContact O-CD2 3.27Å; I169-Y173 WeakPolarHBondContact O-CD2 3.46Å; I169-Y173 PolarHBondContact O-N 3.49Å; L170-Y173 PolarHBondContact O-N 3.03Å; Y173-L176 PolarHBondContact O-N 2.89Å; Y173-L177 VanDerWaalsContact O-CB 3.25Å; Y173-L177 WeakPolarHBondContact O-CB 3.36Å; Y173-L177 PolarHBondContact O-N 3.29Å
174G90.3Very high91Very high33 Ų3394.1 Ų94.134%0.3450%0.499SS..Hα-helixtrans-64.7-41.7174.700000112.9L170 N171 L177 T178L170-G174 PolarHBondContact O-N 3.13Å; N171-G174 PolarHBondContact O-N 3.47Å; G174-L177 PolarHBondContact O-N 2.88Å; G174-T178 WeakPolarHBondContact O-CB 3.3Å; G174-T178 WeakPolarHBondContact O-CG2 3.32Å; G174-T178 PolarHBondContact O-N 3.48Å; G174-T178 PolarHBondContact O-OG1 2.84Å
175L90.8Very high91Very high110 Ų11091.8 Ų91.858%0.57650%0.495SS*.Hα-helixtrans-64.4-44.1172.8-175.664.2000111.4N171 I172 L177 T178 V179N171-L175 WeakPolarHBondContact O-CB 3.49Å; N171-L175 PolarHBondContact O-N 2.95Å; I172-L175 PolarHBondContact O-N 3.19Å; L175-L177 PolarHBondContact O-N 3.05Å; L175-T178 WeakPolarHBondContact CA-OG1 3.41Å; L175-T178 PolarHBondContact O-N 2.9Å; L175-T178 PolarHBondContact O-OG1 3.48Å; L175-V179 HydrophobicContact CD1-CG2 4.35Å; L175-V179 WeakPolarHBondContact O-CB 3.4Å; L175-V179 VanDerWaalsContact O-CG2 3.24Å; L175-V179 WeakPolarHBondContact O-CG2 3.45Å; L175-V179 PolarHBondContact O-N 3.46Å
176L91.6Very high90.8Very high100 Ų10091.6 Ų91.652%0.52450%0.497SS..Hα-helixtrans-63.9-41.2176.6-174.264.4000111.5I172 Y173 T180I172-L176 WeakPolarHBondContact O-CB 3.4Å; I172-L176 PolarHBondContact O-N 2.92Å; Y173-L176 PolarHBondContact O-N 2.89Å; L176-T180 HydrophobicContact CD1-CG2 4.45Å; L176-T180 WeakPolarHBondContact O-CB 3.37Å; L176-T180 WeakPolarHBondContact O-CG2 3.38Å; L176-T180 PolarHBondContact O-N 3.49Å; L176-T180 PolarHBondContact O-OG1 3.46Å
177L92.2Very high90.5Very high106 Ų10691 Ų9156%0.55550%0.496SS*.Hα-helixtrans-63.5-47.3176.7-170.678.3000111.3Y173 G174 L175 T180 I181Y173-L177 VanDerWaalsContact O-CB 3.25Å; Y173-L177 WeakPolarHBondContact O-CB 3.36Å; Y173-L177 PolarHBondContact O-N 3.29Å; G174-L177 PolarHBondContact O-N 2.88Å; L175-L177 PolarHBondContact O-N 3.05Å; L177-T180 WeakPolarHBondContact CA-OG1 3.41Å; L177-T180 PolarHBondContact O-N 2.81Å; L177-T180 PolarHBondContact O-OG1 2.93Å; L177-I181 HydrophobicContact CD1-CD1 4.5Å; L177-I181 HydrophobicContact CD2-CD1 4.37Å; L177-I181 HydrophobicContact CG-CD1 3.92Å; L177-I181 WeakPolarHBondContact O-CB 3.37Å; L177-I181 VanDerWaalsContact O-CG1 3.24Å; L177-I181 WeakPolarHBondContact O-CG1 3.2Å; L177-I181 PolarHBondContact O-N 2.96Å
178T91.8Very high90.3Very high82 Ų8296 Ų9650%0.50351%0.51SS..Hα-helixtrans-65.9-41.3178.548.30000112.3G174 L175 I181 A182G174-T178 WeakPolarHBondContact O-CB 3.3Å; G174-T178 WeakPolarHBondContact O-CG2 3.32Å; G174-T178 PolarHBondContact O-N 3.48Å; G174-T178 PolarHBondContact O-OG1 2.84Å; L175-T178 WeakPolarHBondContact CA-OG1 3.41Å; L175-T178 PolarHBondContact O-N 2.9Å; L175-T178 PolarHBondContact O-OG1 3.48Å; T178-I181 PolarHBondContact O-N 3Å; T178-A182 VanDerWaalsContact O-CB 3.31Å; T178-A182 WeakPolarHBondContact O-CB 2.94Å; T178-A182 PolarHBondContact O-N 3.12Å
179V94Very high90.3Very high69 Ų6996.7 Ų96.742%0.41852%0.518SS..Hα-helixtrans-63.2-44.8174.2168.70000111.3L175 A182 L183L175-V179 HydrophobicContact CD1-CG2 4.35Å; L175-V179 WeakPolarHBondContact O-CB 3.4Å; L175-V179 VanDerWaalsContact O-CG2 3.24Å; L175-V179 WeakPolarHBondContact O-CG2 3.45Å; L175-V179 PolarHBondContact O-N 3.46Å; V179-A182 PolarHBondContact O-N 3Å; V179-L183 HydrophobicContact CG1-CD1 3.83Å; V179-L183 HydrophobicContact CG1-CG 4.32Å; V179-L183 WeakPolarHBondContact O-CB 3.24Å; V179-L183 VanDerWaalsContact O-CG 3.26Å; V179-L183 WeakPolarHBondContact O-CG 3.43Å; V179-L183 PolarHBondContact O-N 2.79Å
180T91.9Very high90Very high61 Ų6197.3 Ų97.337%0.37452%0.522SS..Hα-helixtrans-66.4-41.1177.9480000112.5L176 L177 L183 M184L176-T180 HydrophobicContact CD1-CG2 4.45Å; L176-T180 WeakPolarHBondContact O-CB 3.37Å; L176-T180 WeakPolarHBondContact O-CG2 3.38Å; L176-T180 PolarHBondContact O-N 3.49Å; L176-T180 PolarHBondContact O-OG1 3.46Å; L177-T180 WeakPolarHBondContact CA-OG1 3.41Å; L177-T180 PolarHBondContact O-N 2.81Å; L177-T180 PolarHBondContact O-OG1 2.93Å; T180-L183 PolarHBondContact O-N 2.96Å; T180-M184 WeakPolarHBondContact O-CB 3.01Å; T180-M184 VanDerWaalsContact O-CG 3.23Å; T180-M184 WeakPolarHBondContact O-CG 3.46Å; T180-M184 PolarHBondContact O-N 2.87Å
181I92.4Very high89.6Confident93 Ų9395.3 Ų95.348%0.47752%0.516SS..Hα-helixtrans-60-48.7171.7-69.3167000110.1L177 T178 L183 M184 T185L177-I181 HydrophobicContact CD1-CD1 4.5Å; L177-I181 HydrophobicContact CD2-CD1 4.37Å; L177-I181 HydrophobicContact CG-CD1 3.92Å; L177-I181 WeakPolarHBondContact O-CB 3.37Å; L177-I181 VanDerWaalsContact O-CG1 3.24Å; L177-I181 WeakPolarHBondContact O-CG1 3.2Å; L177-I181 PolarHBondContact O-N 2.96Å; T178-I181 PolarHBondContact O-N 3Å; I181-L183 PolarHBondContact O-N 3.18Å; I181-M184 PolarHBondContact O-N 2.75Å; I181-T185 WeakPolarHBondContact O-CB 3.31Å; I181-T185 PolarHBondContact O-N 3.4Å; I181-T185 PolarHBondContact O-OG1 3.14Å
182A91.6Very high89.3Confident53 Ų53100.3 Ų100.344%0.43853%0.527SS..Hα-helixtrans-60.8-41.4178.500000112.7T178 V179 T186T178-A182 VanDerWaalsContact O-CB 3.31Å; T178-A182 WeakPolarHBondContact O-CB 2.94Å; T178-A182 PolarHBondContact O-N 3.12Å; V179-A182 PolarHBondContact O-N 3Å; A182-T186 WeakPolarHBondContact O-CB 3.24Å; A182-T186 WeakPolarHBondContact O-CG2 3.46Å; A182-T186 PolarHBondContact O-N 2.92Å; A182-T186 PolarHBondContact O-OG1 3.43Å
183L90.4Very high88.8Confident108 Ų108100.7 Ų100.757%0.56553%0.529SS*.Hα-helixtrans-64.5-42.5174.8-73.7171.7000112V179 T180 I181 T186 A187V179-L183 HydrophobicContact CG1-CD1 3.83Å; V179-L183 HydrophobicContact CG1-CG 4.32Å; V179-L183 WeakPolarHBondContact O-CB 3.24Å; V179-L183 VanDerWaalsContact O-CG 3.26Å; V179-L183 WeakPolarHBondContact O-CG 3.43Å; V179-L183 PolarHBondContact O-N 2.79Å; T180-L183 PolarHBondContact O-N 2.96Å; I181-L183 PolarHBondContact O-N 3.18Å; L183-T186 WeakPolarHBondContact CA-OG1 3.32Å; L183-T186 PolarHBondContact O-OG1 3.33Å; L183-T186 VanDerWaalsContact O-OG1 3.07Å; L183-A187 WeakPolarHBondContact O-CB 3.37Å; L183-A187 PolarHBondContact O-N 3.45Å
184M88.4Confident88.1Confident136 Ų13695.3 Ų95.367%0.6751%0.514SS*.Hα-helixtrans-67.7-42.4176.8-70.8-61.1-65.200111.9T180 I181 A187 Y188T180-M184 WeakPolarHBondContact O-CB 3.01Å; T180-M184 VanDerWaalsContact O-CG 3.23Å; T180-M184 WeakPolarHBondContact O-CG 3.46Å; T180-M184 PolarHBondContact O-N 2.87Å; I181-M184 PolarHBondContact O-N 2.75Å; M184-A187 PolarHBondContact O-N 3.03Å; M184-Y188 WeakPolarHBondContact O-CB 3.36Å; M184-Y188 PolarHBondContact O-N 2.66Å
185T91.2Very high87.6Confident69 Ų69103.1 Ų103.142%0.42353%0.533SS..Hα-helixtrans-64.6-43.7176.4-58.70000111.4I181 Y188 L189I181-T185 WeakPolarHBondContact O-CB 3.31Å; I181-T185 PolarHBondContact O-N 3.4Å; I181-T185 PolarHBondContact O-OG1 3.14Å; T185-Y188 PolarHBondContact O-N 2.66Å; T185-L189 HydrophobicContact CG2-CD1 3.82Å; T185-L189 HydrophobicContact CG2-CG 4.39Å; T185-L189 WeakPolarHBondContact O-CB 3.34Å; T185-L189 VanDerWaalsContact O-CG 3.28Å; T185-L189 WeakPolarHBondContact O-CG 3.37Å; T185-L189 PolarHBondContact O-N 3.47Å
186T87.7Confident87.1Confident76 Ų76103.8 Ų103.847%0.46653%0.534SS..Hα-helixtrans-67.6-37.7175.649.80000112.4A182 L183 Y188 L189 N190A182-T186 WeakPolarHBondContact O-CB 3.24Å; A182-T186 WeakPolarHBondContact O-CG2 3.46Å; A182-T186 PolarHBondContact O-N 2.92Å; A182-T186 PolarHBondContact O-OG1 3.43Å; L183-T186 WeakPolarHBondContact CA-OG1 3.32Å; L183-T186 PolarHBondContact O-OG1 3.33Å; L183-T186 VanDerWaalsContact O-OG1 3.07Å; T186-Y188 VanDerWaalsContact C-N 3.33Å; T186-Y188 PolarHBondContact O-N 2.89Å; T186-L189 PolarHBondContact O-N 2.87Å; T186-N190 WeakPolarHBondContact O-CB 3.39Å; T186-N190 PolarHBondContact O-N 3.16Å
187A85.9Confident86.5Confident39 Ų39101.3 Ų101.332%0.32253%0.527SS..Hα-helixtrans-65.5-34.2174.600000113.2L183 M184 S194L183-A187 WeakPolarHBondContact O-CB 3.37Å; L183-A187 PolarHBondContact O-N 3.45Å; M184-A187 PolarHBondContact O-N 3.03Å; A187-S194 PolarHBondContact O-OG 3.48Å; A187-S194 VanDerWaalsContact O-OG 3.05Å
188Y87.5Confident85.9Confident199 Ų19999 Ų9978%0.7852%0.524SS*.Hα-helixtrans-72.6-46.4174.9-177.4-99.2000112.1M184 T185 T186 N190M184-Y188 WeakPolarHBondContact O-CB 3.36Å; M184-Y188 PolarHBondContact O-N 2.66Å; T185-Y188 PolarHBondContact O-N 2.66Å; T186-Y188 VanDerWaalsContact C-N 3.33Å; T186-Y188 PolarHBondContact O-N 2.89Å; Y188-N190 VanDerWaalsContact C-N 3.34Å; Y188-N190 PolarHBondContact O-N 3.3Å
189L88.1Confident85.4Confident119 Ų11999 Ų9962%0.62352%0.524SS*.Hα-helixtrans-70.8-26.7-179.9-68.3172.8000113.2T185 T186 P191T185-L189 HydrophobicContact CG2-CD1 3.82Å; T185-L189 HydrophobicContact CG2-CG 4.39Å; T185-L189 WeakPolarHBondContact O-CB 3.34Å; T185-L189 VanDerWaalsContact O-CG 3.28Å; T185-L189 WeakPolarHBondContact O-CG 3.37Å; T185-L189 PolarHBondContact O-N 3.47Å; T186-L189 PolarHBondContact O-N 2.87Å; L189-P191 VanDerWaalsContact C-CD 3.46Å; L189-P191 VanDerWaalsContact O-CD 3.3Å; L189-P191 WeakPolarHBondContact O-CD 3.43Å
190N83.4Confident84.8Confident93 Ų93102.5 Ų102.550%0.49754%0.535SS..  trans-117.773.6177.1-90.4-60.2000112.8T186 Y188 R192 L193 S194T186-N190 WeakPolarHBondContact O-CB 3.39Å; T186-N190 PolarHBondContact O-N 3.16Å; Y188-N190 VanDerWaalsContact C-N 3.34Å; Y188-N190 PolarHBondContact O-N 3.3Å; N190-R192 PolarHBondContact O-N 3.39Å; N190-R192 VanDerWaalsContact O-N 3.13Å; N190-L193 HydrophobicContact CB-CB 3.97Å; N190-L193 PolarHBondContact O-N 3.44Å; N190-L193 VanDerWaalsContact O-N 3.1Å; N190-S194 PolarHBondContact O-N 3.31Å; N190-S194 VanDerWaalsContact O-N 3.09Å; N190-S194 PolarHBondContact O-OG 3.38Å
191P81.4Confident84.2Confident86 Ų86104.8 Ų104.856%0.55854%0.544SS*.Hα-helixtrans-63.3-20.9-178.525.8-35.3000114.2L189 S194 R195L189-P191 VanDerWaalsContact C-CD 3.46Å; L189-P191 VanDerWaalsContact O-CD 3.3Å; L189-P191 WeakPolarHBondContact O-CD 3.43Å; P191-S194 WeakPolarHBondContact CA-OG 3.47Å; P191-S194 PolarHBondContact O-OG 2.87Å; P191-R195 WeakPolarHBondContact O-CB 3.47Å; P191-R195 PolarHBondContact O-N 3.46Å
192R82Confident83.4Confident216 Ų216106.4 Ų106.482%0.81555%0.553SS**Hα-helixtrans-72.9-44.3173.9-67.6-176.1178.1-179-0.2111.7N190 Q196N190-R192 PolarHBondContact O-N 3.39Å; N190-R192 VanDerWaalsContact O-N 3.13Å; R192-Q196 PolarHBondContact O-N 3.05Å
193L80.2Confident82.9Confident112 Ų112108.1 Ų108.159%0.58656%0.558SS**Hα-helixtrans-68.1-44.9179.5-164.686.8000110.9N190 R195 Q196 A197N190-L193 HydrophobicContact CB-CB 3.97Å; N190-L193 PolarHBondContact O-N 3.44Å; N190-L193 VanDerWaalsContact O-N 3.1Å; L193-R195 VanDerWaalsContact C-N 3.35Å; L193-R195 PolarHBondContact O-N 2.87Å; L193-Q196 PolarHBondContact O-N 3.14Å; L193-A197 WeakPolarHBondContact O-CB 3.32Å; L193-A197 PolarHBondContact O-N 2.95Å
194S77.1Confident82.2Confident41 Ų41110.2 Ų110.229%0.28756%0.559SS.*Hα-helixtrans-65.3-36179.555.40000112.5A187 N190 P191 A197 A198A187-S194 PolarHBondContact O-OG 3.48Å; A187-S194 VanDerWaalsContact O-OG 3.05Å; N190-S194 PolarHBondContact O-N 3.31Å; N190-S194 VanDerWaalsContact O-N 3.09Å; N190-S194 PolarHBondContact O-OG 3.38Å; P191-S194 WeakPolarHBondContact CA-OG 3.47Å; P191-S194 PolarHBondContact O-OG 2.87Å; S194-A197 PolarHBondContact O-N 3.09Å; S194-A198 VanDerWaalsContact O-CB 3.24Å; S194-A198 WeakPolarHBondContact O-CB 3.39Å; S194-A198 PolarHBondContact O-N 2.88Å
195R79.4Confident81.2Confident197 Ų197107.9 Ų107.974%0.74355%0.548SS*.Hα-helixtrans-64.9-41.1172.4-170.8176-179.7-172.9-0.4112.6P191 L193 V199P191-R195 WeakPolarHBondContact O-CB 3.47Å; P191-R195 PolarHBondContact O-N 3.46Å; L193-R195 VanDerWaalsContact C-N 3.35Å; L193-R195 PolarHBondContact O-N 2.87Å; R195-V199 WeakPolarHBondContact O-CG2 3.37Å; R195-V199 PolarHBondContact O-N 3.36Å; R195-V199 VanDerWaalsContact O-N 3.16Å
196Q81.4Confident80.1Confident125 Ų125109 Ų10958%0.58455%0.551SS**Hα-helixtrans-66.5-45.7175.3-74.7176.3-40.700111.7R192 L193 A198 V199 H200R192-Q196 PolarHBondContact O-N 3.05Å; L193-Q196 PolarHBondContact O-N 3.14Å; Q196-A198 PolarHBondContact O-N 2.74Å; Q196-V199 PolarHBondContact O-N 2.89Å; Q196-H200 PolarHBondContact O-CD2 3.46Å; Q196-H200 PolarHBondContact O-N 2.88Å
197A77.9Confident79.4Confident47 Ų47109.2 Ų109.239%0.38856%0.555SS.*Hα-helixtrans-60.8-44.2176.700000111.9L193 S194 V199 H200 I201L193-A197 WeakPolarHBondContact O-CB 3.32Å; L193-A197 PolarHBondContact O-N 2.95Å; S194-A197 PolarHBondContact O-N 3.09Å; A197-V199 PolarHBondContact O-N 3.33Å; A197-H200 PolarHBondContact O-N 3.35Å; A197-I201 WeakPolarHBondContact O-CB 3.46Å; A197-I201 VanDerWaalsContact O-CG1 3.26Å; A197-I201 WeakPolarHBondContact O-CG1 3.35Å; A197-I201 PolarHBondContact O-N 2.94Å
198A79.7Confident78.8Confident58 Ų58112 Ų11248%0.47956%0.561SS.*Hα-helixtrans-61.1-41.817700000112.4S194 Q196 I201 L202S194-A198 VanDerWaalsContact O-CB 3.24Å; S194-A198 WeakPolarHBondContact O-CB 3.39Å; S194-A198 PolarHBondContact O-N 2.88Å; Q196-A198 PolarHBondContact O-N 2.74Å; A198-I201 PolarHBondContact O-N 2.95Å; A198-L202 VanDerWaalsContact O-CB 3.29Å; A198-L202 WeakPolarHBondContact O-CB 3.34Å; A198-L202 PolarHBondContact O-N 3.25Å
199V82.3Confident77.9Confident82 Ų82108 Ų10850%0.49755%0.548SS..Hα-helixtrans-65.4-43.61751720000111.2R195 Q196 A197 L202 V203R195-V199 WeakPolarHBondContact O-CG2 3.37Å; R195-V199 PolarHBondContact O-N 3.36Å; R195-V199 VanDerWaalsContact O-N 3.16Å; Q196-V199 PolarHBondContact O-N 2.89Å; A197-V199 PolarHBondContact O-N 3.33Å; V199-L202 PolarHBondContact O-N 2.9Å; V199-V203 HydrophobicContact CG1-CG2 4.4Å; V199-V203 WeakPolarHBondContact O-CB 3.48Å; V199-V203 VanDerWaalsContact O-CG2 3.29Å; V199-V203 WeakPolarHBondContact O-CG2 3.35Å; V199-V203 PolarHBondContact O-N 3.31Å
200H81.7Confident77Confident142 Ų142104.9 Ų104.966%0.65754%0.54SS*.Hα-helixtrans-63-42.5175.9-88.3-73.7000112.9Q196 A197 V203 Y204Q196-H200 PolarHBondContact O-CD2 3.46Å; Q196-H200 PolarHBondContact O-N 2.88Å; A197-H200 PolarHBondContact O-N 3.35Å; H200-V203 PolarHBondContact O-N 3.37Å; H200-Y204 VanDerWaalsContact O-CB 3.26Å; H200-Y204 WeakPolarHBondContact O-CB 3.39Å; H200-Y204 PolarHBondContact O-N 2.88Å
201I78.3Confident76.3Confident109 Ų109104.4 Ų104.456%0.55954%0.537SS*.Hα-helixtrans-64.2-42.4175.9-68.7164000110.4A197 A198 Y204 M205A197-I201 WeakPolarHBondContact O-CB 3.46Å; A197-I201 VanDerWaalsContact O-CG1 3.26Å; A197-I201 WeakPolarHBondContact O-CG1 3.35Å; A197-I201 PolarHBondContact O-N 2.94Å; A198-I201 PolarHBondContact O-N 2.95Å; I201-Y204 PolarHBondContact O-N 3.27Å; I201-M205 HydrophobicContact CG2-CG 4.28Å; I201-M205 VanDerWaalsContact O-CB 3.28Å; I201-M205 WeakPolarHBondContact O-CB 3.42Å; I201-M205 VanDerWaalsContact O-CG 3.23Å; I201-M205 WeakPolarHBondContact O-CG 3.47Å; I201-M205 PolarHBondContact O-N 2.92Å
202L76.7Confident76Confident128 Ų128106.5 Ų106.567%0.6753%0.534SS*.Hα-helixtrans-62.9-43.8176.7-164.881.2000111.5A198 V199 N206A198-L202 VanDerWaalsContact O-CB 3.29Å; A198-L202 WeakPolarHBondContact O-CB 3.34Å; A198-L202 PolarHBondContact O-N 3.25Å; V199-L202 PolarHBondContact O-N 2.9Å; L202-N206 WeakPolarHBondContact O-CB 3.34Å; L202-N206 PolarHBondContact O-N 2.87Å
203V79.5Confident75.6Confident89 Ų89104.2 Ų104.254%0.53953%0.525SS..Hα-helixtrans-66.1-40.6176.8170.50000111.4V199 H200 N206 S207V199-V203 HydrophobicContact CG1-CG2 4.4Å; V199-V203 WeakPolarHBondContact O-CB 3.48Å; V199-V203 VanDerWaalsContact O-CG2 3.29Å; V199-V203 WeakPolarHBondContact O-CG2 3.35Å; V199-V203 PolarHBondContact O-N 3.31Å; H200-V203 PolarHBondContact O-N 3.37Å; V203-N206 PolarHBondContact O-N 3.42Å; V203-S207 WeakPolarHBondContact O-CB 3.45Å; V203-S207 PolarHBondContact O-N 3.04Å; V203-S207 PolarHBondContact O-OG 3.47Å
204Y76.2Confident75.4Confident151 Ų151103.7 Ų103.759%0.59252%0.523SS*.Hα-helixtrans-67.6-41.1176.6-176.4-96.5000112.6H200 I201 N206 S207 F208H200-Y204 VanDerWaalsContact O-CB 3.26Å; H200-Y204 WeakPolarHBondContact O-CB 3.39Å; H200-Y204 PolarHBondContact O-N 2.88Å; I201-Y204 PolarHBondContact O-N 3.27Å; Y204-N206 VanDerWaalsContact C-N 3.3Å; Y204-N206 PolarHBondContact O-N 2.92Å; Y204-S207 PolarHBondContact O-N 3.35Å; Y204-S207 PolarHBondContact O-OG 3.25Å; Y204-F208 PolarHBondContact O-N 3.46Å
205M68.3Low75.3Confident88 Ų88108.8 Ų108.843%0.43354%0.537SS..Hα-helixtrans-63.6-36.5172.8-77.3-101.555.500112.2I201 L211I201-M205 HydrophobicContact CG2-CG 4.28Å; I201-M205 VanDerWaalsContact O-CB 3.28Å; I201-M205 WeakPolarHBondContact O-CB 3.42Å; I201-M205 VanDerWaalsContact O-CG 3.23Å; I201-M205 WeakPolarHBondContact O-CG 3.47Å; I201-M205 PolarHBondContact O-N 2.92Å; M205-L211 HydrophobicContact CE-CB 3.95Å; M205-L211 HydrophobicContact CE-CD2 3.57Å; M205-L211 HydrophobicContact CE-CG 4.39Å
206N66.7Low75.3Confident93 Ų93103.6 Ų103.650%0.49752%0.521SS..Hα-helixtrans-82.1-24.5-179.6-161.129.7000113L202 V203 Y204L202-N206 WeakPolarHBondContact O-CB 3.34Å; L202-N206 PolarHBondContact O-N 2.87Å; V203-N206 PolarHBondContact O-N 3.42Å; Y204-N206 VanDerWaalsContact C-N 3.3Å; Y204-N206 PolarHBondContact O-N 2.92Å
207S73.1Confident75.2Confident79 Ų79101.2 Ų101.255%0.55252%0.515SS*.Hα-helixtrans-74.2-32.5173.9700000112.3V203 Y204 H209V203-S207 WeakPolarHBondContact O-CB 3.45Å; V203-S207 PolarHBondContact O-N 3.04Å; V203-S207 PolarHBondContact O-OG 3.47Å; Y204-S207 PolarHBondContact O-N 3.35Å; Y204-S207 PolarHBondContact O-OG 3.25Å; S207-H209 VanDerWaalsContact C-N 3.32Å; S207-H209 PolarHBondContact O-N 3.07Å
208F73.8Confident75.3Confident99 Ų99104.3 Ų104.343%0.43452%0.524SS..  trans-76.679.2174.3-108.5-91000112.5Y204 A210 L211 R212Y204-F208 PolarHBondContact O-N 3.46Å; F208-A210 PolarHBondContact O-N 2.97Å; F208-L211 HydrophobicContact CB-CB 4.33Å; F208-L211 HydrophobicContact CB-CD1 4.1Å; F208-L211 HydrophobicContact CD1-CD1 3.68Å; F208-L211 HydrophobicContact CE1-CD1 4.47Å; F208-L211 HydrophobicContact CG-CD1 4.12Å; F208-L211 PolarHBondContact O-N 3.2Å; F208-R212 PolarHBondContact O-N 3.43Å; F208-R212 VanDerWaalsContact O-N 3.14Å
209H69.4Low75.4Confident113 Ų113108.1 Ų108.152%0.52353%0.526SS..Hα-helixtrans-55.4-18.1178.2-130.6-123.6000114.6S207 R213S207-H209 VanDerWaalsContact C-N 3.32Å; S207-H209 PolarHBondContact O-N 3.07Å; H209-R213 PolarHBondContact O-N 3.41Å; H209-R213 PolarHBondContact O-NE 3.28Å
210A68.8Low75.3Confident54 Ų54109.1 Ų109.145%0.44653%0.528SS..Hα-helixtrans-77.9-47.4171.600000112.6F208 R212 R213 L214F208-A210 PolarHBondContact O-N 2.97Å; A210-R212 PolarHBondContact O-N 3.45Å; A210-R213 PolarHBondContact O-N 3.49Å; A210-L214 WeakPolarHBondContact O-CG 2.99Å; A210-L214 PolarHBondContact O-N 2.99Å
211L68.3Low75.1Confident84 Ų84111.5 Ų111.544%0.4453%0.532SS..Hα-helixtrans-65.2-39.6176.9-90.691000111.5M205 F208 R213 L214 Y215M205-L211 HydrophobicContact CE-CB 3.95Å; M205-L211 HydrophobicContact CE-CD2 3.57Å; M205-L211 HydrophobicContact CE-CG 4.39Å; F208-L211 HydrophobicContact CB-CB 4.33Å; F208-L211 HydrophobicContact CB-CD1 4.1Å; F208-L211 HydrophobicContact CD1-CD1 3.68Å; F208-L211 HydrophobicContact CE1-CD1 4.47Å; F208-L211 HydrophobicContact CG-CD1 4.12Å; F208-L211 PolarHBondContact O-N 3.2Å; L211-R213 VanDerWaalsContact C-N 3.35Å; L211-R213 PolarHBondContact O-N 2.9Å; L211-L214 PolarHBondContact O-N 2.96Å; L211-Y215 WeakPolarHBondContact O-CB 3.41Å; L211-Y215 PolarHBondContact O-N 3Å
212R74.7Confident74.9Confident129 Ų129112.2 Ų112.249%0.48753%0.531SS..Hα-helixtrans-60.3-43.3175.9-172.7175.2172.7-159.9-5.5112.1F208 A210 Y215 E216F208-R212 PolarHBondContact O-N 3.43Å; F208-R212 VanDerWaalsContact O-N 3.14Å; A210-R212 PolarHBondContact O-N 3.45Å; R212-Y215 PolarHBondContact O-N 3Å; R212-E216 WeakPolarHBondContact O-CG 3.34Å; R212-E216 PolarHBondContact O-N 3.33Å
213R75.2Confident74.7Confident168 Ų168108.4 Ų108.463%0.63451%0.513SS*.Hα-helixtrans-67.9-37.4174.9-80.2-170.1-81-170.7-2.8112.9H209 A210 L211 T217H209-R213 PolarHBondContact O-N 3.41Å; H209-R213 PolarHBondContact O-NE 3.28Å; A210-R213 PolarHBondContact O-N 3.49Å; L211-R213 VanDerWaalsContact C-N 3.35Å; L211-R213 PolarHBondContact O-N 2.9Å; R213-T217 WeakPolarHBondContact O-CB 3.2Å; R213-T217 VanDerWaalsContact O-CG2 3.3Å; R213-T217 WeakPolarHBondContact O-CG2 3.47Å; R213-T217 PolarHBondContact O-N 2.89Å; R213-T217 PolarHBondContact O-OG1 3.39Å
214L74.7Confident74.5Confident102 Ų102108.2 Ų108.253%0.53451%0.512SS..Hα-helixtrans-65.2-42.5173.9-75.1168.1000111.8A210 L211 T217 L218A210-L214 WeakPolarHBondContact O-CG 2.99Å; A210-L214 PolarHBondContact O-N 2.99Å; L211-L214 PolarHBondContact O-N 2.96Å; L214-T217 WeakPolarHBondContact CA-OG1 3.33Å; L214-T217 PolarHBondContact O-N 3.45Å; L214-T217 PolarHBondContact O-OG1 3Å; L214-T217 VanDerWaalsContact O-OG1 3.13Å; L214-L218 VanDerWaalsContact O-CB 3.23Å; L214-L218 WeakPolarHBondContact O-CB 3.27Å; L214-L218 WeakPolarHBondContact O-CD1 3.17Å; L214-L218 WeakPolarHBondContact O-CG 3.33Å; L214-L218 PolarHBondContact O-N 3.24Å
215Y76.4Confident74.5Confident147 Ų147106.8 Ų106.858%0.57651%0.514SS*.Hα-helixtrans-62.1-50.8177-178.8-97.6000111.8L211 R212 T217 L218 W219L211-Y215 WeakPolarHBondContact O-CB 3.41Å; L211-Y215 PolarHBondContact O-N 3Å; R212-Y215 PolarHBondContact O-N 3Å; Y215-T217 PolarHBondContact O-N 3.42Å; Y215-L218 PolarHBondContact O-N 3.5Å; Y215-W219 VanDerWaalsContact O-CB 3.27Å; Y215-W219 WeakPolarHBondContact O-CB 3.29Å; Y215-W219 PolarHBondContact O-N 2.86Å
216E79.2Confident74.4Confident88 Ų88110.5 Ų110.541%0.41152%0.523SS..Hα-helixtrans-62.2-42178.2-69.6-66.4171.500112R212 W219 L220R212-E216 WeakPolarHBondContact O-CG 3.34Å; R212-E216 PolarHBondContact O-N 3.33Å; E216-W219 PolarHBondContact O-N 3.33Å; E216-L220 WeakPolarHBondContact O-CB 3.36Å; E216-L220 WeakPolarHBondContact O-CD1 3.3Å; E216-L220 PolarHBondContact O-N 3.28Å
217T78.4Confident74.3Confident75 Ų75115 Ų11546%0.4653%0.533SS..Hα-helixtrans-70-34.7178.152.90000113R213 L214 Y215 R221R213-T217 WeakPolarHBondContact O-CB 3.2Å; R213-T217 VanDerWaalsContact O-CG2 3.3Å; R213-T217 WeakPolarHBondContact O-CG2 3.47Å; R213-T217 PolarHBondContact O-N 2.89Å; R213-T217 PolarHBondContact O-OG1 3.39Å; L214-T217 WeakPolarHBondContact CA-OG1 3.33Å; L214-T217 PolarHBondContact O-N 3.45Å; L214-T217 PolarHBondContact O-OG1 3Å; L214-T217 VanDerWaalsContact O-OG1 3.13Å; Y215-T217 PolarHBondContact O-N 3.42Å; T217-R221 WeakPolarHBondContact O-CB 3.37Å; T217-R221 VanDerWaalsContact O-CG 3.29Å; T217-R221 WeakPolarHBondContact O-CG 3.23Å; T217-R221 PolarHBondContact O-N 2.88Å
218L80.8Confident74Confident112 Ų112114.4 Ų114.459%0.58653%0.526SS*.Hα-helixtrans-68.3-41171.2-76.4166.1000111.5L214 Y215 R221 F222L214-L218 VanDerWaalsContact O-CB 3.23Å; L214-L218 WeakPolarHBondContact O-CB 3.27Å; L214-L218 WeakPolarHBondContact O-CD1 3.17Å; L214-L218 WeakPolarHBondContact O-CG 3.33Å; L214-L218 PolarHBondContact O-N 3.24Å; Y215-L218 PolarHBondContact O-N 3.5Å; L218-R221 PolarHBondContact O-N 3.32Å; L218-F222 VanDerWaalsContact O-CB 3.26Å; L218-F222 WeakPolarHBondContact O-CB 3.32Å; L218-F222 PolarHBondContact O-N 2.91Å
219W80.7Confident73.5Confident138 Ų138113.3 Ų113.352%0.52353%0.529SS..Hα-helixtrans-65.7-42.9177.7-173.8-112.7000112Y215 E216 F222 T223Y215-W219 VanDerWaalsContact O-CB 3.27Å; Y215-W219 WeakPolarHBondContact O-CB 3.29Å; Y215-W219 PolarHBondContact O-N 2.86Å; E216-W219 PolarHBondContact O-N 3.33Å; W219-F222 PolarHBondContact O-N 2.84Å; W219-T223 HydrophobicContact CD2-CG2 4.41Å; W219-T223 HydrophobicContact CZ2-CG2 4.42Å; W219-T223 WeakPolarHBondContact O-CB 3.3Å; W219-T223 WeakPolarHBondContact O-CG2 3.49Å; W219-T223 PolarHBondContact O-N 3.31Å; W219-T223 PolarHBondContact O-OG1 3.28Å
220L80.9Confident73.3Confident103 Ų103116.1 Ų116.154%0.53954%0.535SS..Hα-helixtrans-62.6-44.9170.3-95.7117000112E216 F222 T223 V224E216-L220 WeakPolarHBondContact O-CB 3.36Å; E216-L220 WeakPolarHBondContact O-CD1 3.3Å; E216-L220 PolarHBondContact O-N 3.28Å; L220-F222 VanDerWaalsContact C-N 3.35Å; L220-F222 PolarHBondContact O-N 3.49Å; L220-T223 WeakPolarHBondContact CA-OG1 3.31Å; L220-T223 PolarHBondContact O-N 3.49Å; L220-T223 PolarHBondContact O-OG1 3.39Å; L220-V224 WeakPolarHBondContact O-CB 3.47Å; L220-V224 VanDerWaalsContact O-CG2 3.22Å; L220-V224 WeakPolarHBondContact O-CG2 3.46Å; L220-V224 PolarHBondContact O-N 2.87Å
221R76.6Confident73.1Confident193 Ų193116.9 Ų116.973%0.72854%0.537SS*.Hα-helixtrans-62.4-41176.4-79.3179.9175.9-165.6-0.1112.3T217 L218 L225T217-R221 WeakPolarHBondContact O-CB 3.37Å; T217-R221 VanDerWaalsContact O-CG 3.29Å; T217-R221 WeakPolarHBondContact O-CG 3.23Å; T217-R221 PolarHBondContact O-N 2.88Å; L218-R221 PolarHBondContact O-N 3.32Å; R221-L225 VanDerWaalsContact O-CB 3.22Å; R221-L225 WeakPolarHBondContact O-CB 3.49Å; R221-L225 PolarHBondContact O-N 3.44Å
222F75.2Confident73Confident124 Ų124118.5 Ų118.554%0.54455%0.546SS..Hα-helixtrans-69-44.3178.9-168.2-95.1000111.8L218 W219 L220 V224 L225 W226L218-F222 VanDerWaalsContact O-CB 3.26Å; L218-F222 WeakPolarHBondContact O-CB 3.32Å; L218-F222 PolarHBondContact O-N 2.91Å; W219-F222 PolarHBondContact O-N 2.84Å; L220-F222 VanDerWaalsContact C-N 3.35Å; L220-F222 PolarHBondContact O-N 3.49Å; F222-V224 VanDerWaalsContact C-N 3.35Å; F222-V224 PolarHBondContact O-N 2.99Å; F222-L225 PolarHBondContact O-N 3.33Å; F222-W226 VanDerWaalsContact O-CB 3.28Å; F222-W226 WeakPolarHBondContact O-CB 3.36Å; F222-W226 PolarHBondContact O-N 2.95Å
223T72.9Confident72.8Confident48 Ų48117.9 Ų117.929%0.29455%0.548SS..Hα-helixtrans-68.2-31.7176.451.80000112.9W219 L220 R227W219-T223 HydrophobicContact CD2-CG2 4.41Å; W219-T223 HydrophobicContact CZ2-CG2 4.42Å; W219-T223 WeakPolarHBondContact O-CB 3.3Å; W219-T223 WeakPolarHBondContact O-CG2 3.49Å; W219-T223 PolarHBondContact O-N 3.31Å; W219-T223 PolarHBondContact O-OG1 3.28Å; L220-T223 WeakPolarHBondContact CA-OG1 3.31Å; L220-T223 PolarHBondContact O-N 3.49Å; L220-T223 PolarHBondContact O-OG1 3.39Å; T223-R227 WeakPolarHBondContact O-CB 3.46Å; T223-R227 VanDerWaalsContact O-CG 3.29Å; T223-R227 WeakPolarHBondContact O-CG 3.3Å; T223-R227 PolarHBondContact O-N 2.94Å; T223-R227 VanDerWaalsContact O-N 3.16Å
224V75.1Confident72.3Confident84 Ų84118.6 Ų118.651%0.50955%0.551SS.*Hα-helixtrans-67.4-50.1168.7169.70000110.7L220 F222 W226 R227 T228L220-V224 WeakPolarHBondContact O-CB 3.47Å; L220-V224 VanDerWaalsContact O-CG2 3.22Å; L220-V224 WeakPolarHBondContact O-CG2 3.46Å; L220-V224 PolarHBondContact O-N 2.87Å; F222-V224 VanDerWaalsContact C-N 3.35Å; F222-V224 PolarHBondContact O-N 2.99Å; V224-W226 PolarHBondContact O-N 2.9Å; V224-R227 CarbonylContact O-C 3.49Å; V224-R227 PolarHBondContact O-N 3.35Å; V224-T228 HydrophobicContact CG1-CG2 4.19Å; V224-T228 WeakPolarHBondContact O-CG2 3.45Å; V224-T228 PolarHBondContact O-N 3.08Å; V224-T228 PolarHBondContact O-OG1 3.44Å
225L74.7Confident72Confident121 Ų121119 Ų11963%0.63455%0.553SS**Hα-helixtrans-61-30.4178.7-172.367.4000113R221 F222 T228 P229R221-L225 VanDerWaalsContact O-CB 3.22Å; R221-L225 WeakPolarHBondContact O-CB 3.49Å; R221-L225 PolarHBondContact O-N 3.44Å; F222-L225 PolarHBondContact O-N 3.33Å; L225-T228 PolarHBondContact O-OG1 2.78Å; L225-P229 WeakPolarHBondContact O-CD 3.4Å
226W67.3Low71.7Confident166 Ų166117.9 Ų117.963%0.62956%0.555SS**Hα-helixtrans-77.7-25.7173.9-168.8-104.3000113.1F222 V224F222-W226 VanDerWaalsContact O-CB 3.28Å; F222-W226 WeakPolarHBondContact O-CB 3.36Å; F222-W226 PolarHBondContact O-N 2.95Å; V224-W226 PolarHBondContact O-N 2.9Å
227R64.1Low71.3Confident188 Ų188117.3 Ų117.371%0.70955%0.552SS**Hα-helixtrans-88-29.7176.8-77.3178.2174.1-172.9-0.2113.5T223 V224 R230 S231T223-R227 WeakPolarHBondContact O-CB 3.46Å; T223-R227 VanDerWaalsContact O-CG 3.29Å; T223-R227 WeakPolarHBondContact O-CG 3.3Å; T223-R227 PolarHBondContact O-N 2.94Å; T223-R227 VanDerWaalsContact O-N 3.16Å; V224-R227 CarbonylContact O-C 3.49Å; V224-R227 PolarHBondContact O-N 3.35Å; R227-R230 PolarHBondContact O-N 3.27Å; R227-S231 PolarHBondContact O-N 3.38Å
228T66.5Low71.1Confident67 Ų67119.2 Ų119.241%0.41156%0.556SS.*Hα-helixtrans-56.5-44.817946.40000114.7V224 L225 R230 S231 L232V224-T228 HydrophobicContact CG1-CG2 4.19Å; V224-T228 WeakPolarHBondContact O-CG2 3.45Å; V224-T228 PolarHBondContact O-N 3.08Å; V224-T228 PolarHBondContact O-OG1 3.44Å; L225-T228 PolarHBondContact O-OG1 2.78Å; T228-R230 VanDerWaalsContact C-N 3.29Å; T228-R230 PolarHBondContact O-N 2.94Å; T228-S231 PolarHBondContact O-N 3.37Å; T228-S231 VanDerWaalsContact O-N 3.11Å; T228-L232 WeakPolarHBondContact O-CB 3.39Å; T228-L232 PolarHBondContact O-N 3.19Å
229P64.6Low70.8Confident76 Ų76118.7 Ų118.749%0.49455%0.553SS.*Hα-helixtrans-63.8-32.6179.323.4-34000112.9L225 L232 H233L225-P229 WeakPolarHBondContact O-CD 3.4Å; P229-L232 PolarHBondContact O-N 2.7Å; P229-H233 WeakPolarHBondContact O-CB 3.43Å; P229-H233 PolarHBondContact O-N 2.69Å
230R64.3Low70.5Confident172 Ų172117.8 Ų117.865%0.64955%0.554SS**Hα-helixtrans-68.8-33.8175-70.9179.9175.6166.8-1.1112.6R227 T228R227-R230 PolarHBondContact O-N 3.27Å; T228-R230 VanDerWaalsContact C-N 3.29Å; T228-R230 PolarHBondContact O-N 2.94Å
231S64Low70.3Confident70 Ų70119 Ų11949%0.4955%0.552SS.*Hα-helixtrans-72.3-45.6173.9-1680000111.5R227 T228 H233 R234 N235R227-S231 PolarHBondContact O-N 3.38Å; T228-S231 PolarHBondContact O-N 3.37Å; T228-S231 VanDerWaalsContact O-N 3.11Å; S231-H233 VanDerWaalsContact C-N 3.31Å; S231-H233 PolarHBondContact O-N 3.43Å; S231-R234 PolarHBondContact O-N 2.96Å; S231-R234 VanDerWaalsContact O-N 3.09Å; S231-N235 PolarHBondContact O-N 3.03Å
232L66.4Low70.1Confident118 Ų118119 Ų11962%0.61855%0.552SS**Hα-helixtrans-61.8-39.7-179.8-157.5130.3000111.5T228 P229 R234 N235 M236T228-L232 WeakPolarHBondContact O-CB 3.39Å; T228-L232 PolarHBondContact O-N 3.19Å; P229-L232 PolarHBondContact O-N 2.7Å; L232-R234 VanDerWaalsContact C-N 3.35Å; L232-R234 PolarHBondContact O-N 3.03Å; L232-N235 PolarHBondContact O-N 3.22Å; L232-M236 WeakPolarHBondContact O-CB 3.31Å; L232-M236 PolarHBondContact O-N 2.84Å
233H70.4Confident70.1Confident116 Ų116119.8 Ų119.854%0.53756%0.555SS.*Hα-helixtrans-60.9-37.4174.2-168.883.5000113.2P229 S231 M236 Q237P229-H233 WeakPolarHBondContact O-CB 3.43Å; P229-H233 PolarHBondContact O-N 2.69Å; S231-H233 VanDerWaalsContact C-N 3.31Å; S231-H233 PolarHBondContact O-N 3.43Å; H233-M236 WeakPolarHBondContact O-CB 3.46Å; H233-Q237 PolarHBondContact CD2-NE2 3.47Å; H233-Q237 VanDerWaalsContact CD2-NE2 3.32Å; H233-Q237 PolarHBondContact NE2-NE2 2.92Å; H233-Q237 WeakPolarHBondContact O-CG 3.46Å; H233-Q237 PolarHBondContact O-N 2.9Å
234R64.9Low70.2Confident183 Ų183123.7 Ų123.769%0.69157%0.565SS**Hα-helixtrans-66.2-45.2175-74.3-179.7173175.6-3111.8S231 L232 M236 Q237 H238S231-R234 PolarHBondContact O-N 2.96Å; S231-R234 VanDerWaalsContact O-N 3.09Å; L232-R234 VanDerWaalsContact C-N 3.35Å; L232-R234 PolarHBondContact O-N 3.03Å; R234-M236 VanDerWaalsContact C-N 3.34Å; R234-M236 PolarHBondContact O-N 3.41Å; R234-Q237 PolarHBondContact O-N 3.09Å; R234-H238 PolarHBondContact O-CD2 2.92Å; R234-H238 VanDerWaalsContact O-CD2 3.26Å; R234-H238 PolarHBondContact O-N 3.49Å
235N69.3Low70.4Confident109 Ų109126.3 Ų126.358%0.58357%0.571SS**Hα-helixtrans-64.9-37.3177.5-76.4-9.1000112.3S231 L232 Q237 H238 L239S231-N235 PolarHBondContact O-N 3.03Å; L232-N235 PolarHBondContact O-N 3.22Å; N235-Q237 VanDerWaalsContact C-N 3.32Å; N235-Q237 PolarHBondContact O-N 3.14Å; N235-H238 PolarHBondContact O-N 3.25Å; N235-L239 PolarHBondContact O-N 3.43Å
236M69.3Low70.5Confident125 Ų125124.9 Ų124.962%0.61657%0.567SS**Hα-helixtrans-55.4-45.7173.2-157.692.1153.500111.5L232 H233 R234 H238 L239 Q240L232-M236 WeakPolarHBondContact O-CB 3.31Å; L232-M236 PolarHBondContact O-N 2.84Å; H233-M236 WeakPolarHBondContact O-CB 3.46Å; R234-M236 VanDerWaalsContact C-N 3.34Å; R234-M236 PolarHBondContact O-N 3.41Å; M236-H238 PolarHBondContact O-N 2.91Å; M236-L239 PolarHBondContact O-N 3.35Å; M236-Q240 WeakPolarHBondContact O-CB 3.38Å; M236-Q240 PolarHBondContact O-N 2.88Å
237Q71.1Confident70.8Confident75 Ų75124 Ų12435%0.3557%0.565SS.*Hα-helixtrans-65.3-37177.9-68.7-178.610.900112.9H233 R234 N235 R241H233-Q237 PolarHBondContact CD2-NE2 3.47Å; H233-Q237 VanDerWaalsContact CD2-NE2 3.32Å; H233-Q237 PolarHBondContact NE2-NE2 2.92Å; H233-Q237 WeakPolarHBondContact O-CG 3.46Å; H233-Q237 PolarHBondContact O-N 2.9Å; R234-Q237 PolarHBondContact O-N 3.09Å; N235-Q237 VanDerWaalsContact C-N 3.32Å; N235-Q237 PolarHBondContact O-N 3.14Å; Q237-R241 WeakPolarHBondContact O-CG 3.25Å; Q237-R241 PolarHBondContact O-N 3.23Å; Q237-R241 VanDerWaalsContact O-N 3.14Å
238H73.8Confident71.5Confident115 Ų115119.1 Ų119.153%0.53255%0.552SS.*Hα-helixtrans-66.7-41.4174.6-78.5-75.3000112.1R234 N235 M236 R241 R242R234-H238 PolarHBondContact O-CD2 2.92Å; R234-H238 VanDerWaalsContact O-CD2 3.26Å; R234-H238 PolarHBondContact O-N 3.49Å; N235-H238 PolarHBondContact O-N 3.25Å; M236-H238 PolarHBondContact O-N 2.91Å; H238-R241 PolarHBondContact O-N 3.44Å; H238-R242 PolarHBondContact O-N 3.39Å; H238-R242 VanDerWaalsContact O-N 3.15Å
239L73.9Confident71.9Confident101 Ų101125.6 Ų125.653%0.52957%0.569SS.*Hα-helixtrans-66.2-42.2177.7-164.567000111.3N235 M236 R241 R242 F243N235-L239 PolarHBondContact O-N 3.43Å; M236-L239 PolarHBondContact O-N 3.35Å; L239-R241 VanDerWaalsContact C-N 3.31Å; L239-R241 PolarHBondContact O-N 2.91Å; L239-R242 PolarHBondContact O-N 3.37Å; L239-R242 VanDerWaalsContact O-N 3.11Å; L239-F243 HydrophobicContact CD1-CD2 4.48Å; L239-F243 HydrophobicContact CD1-CE2 4.17Å; L239-F243 HydrophobicContact CD2-CE2 4.1Å; L239-F243 HydrophobicContact CG-CD2 3.94Å; L239-F243 HydrophobicContact CG-CE2 3.8Å; L239-F243 WeakPolarHBondContact O-CD2 3.3Å; L239-F243 PolarHBondContact O-N 3.13Å
240Q74.9Confident72.5Confident119 Ų119126.7 Ų126.756%0.55657%0.568SS**Hα-helixtrans-60.7-36.9175.4-167.2-174.911.800112.6M236 R244M236-Q240 WeakPolarHBondContact O-CB 3.38Å; M236-Q240 PolarHBondContact O-N 2.88Å; Q240-R244 WeakPolarHBondContact O-CB 3.23Å; Q240-R244 PolarHBondContact O-N 3.34Å; Q240-R244 VanDerWaalsContact O-N 3.11Å
241R76.3Confident73Confident129 Ų129126 Ų12649%0.48757%0.565SS.*Hα-helixtrans-65-43.1172.5-69.6172.5-160-168.87.1111.5Q237 H238 L239 R244 H245Q237-R241 WeakPolarHBondContact O-CG 3.25Å; Q237-R241 PolarHBondContact O-N 3.23Å; Q237-R241 VanDerWaalsContact O-N 3.14Å; H238-R241 PolarHBondContact O-N 3.44Å; L239-R241 VanDerWaalsContact C-N 3.31Å; L239-R241 PolarHBondContact O-N 2.91Å; R241-R244 PolarHBondContact O-N 2.85Å; R241-H245 PolarHBondContact O-CD2 3.45Å; R241-H245 VanDerWaalsContact O-CD2 3.3Å; R241-H245 PolarHBondContact O-N 3.31Å; R241-H245 VanDerWaalsContact O-N 3.15Å
242R74.1Confident73.7Confident193 Ų193127.2 Ų127.273%0.72857%0.565SS**Hα-helixtrans-63.9-46.5176.8-76.3-168.7173.6-168.1-0.4112.2H238 L239 R244 H245 V246H238-R242 PolarHBondContact O-N 3.39Å; H238-R242 VanDerWaalsContact O-N 3.15Å; L239-R242 PolarHBondContact O-N 3.37Å; L239-R242 VanDerWaalsContact O-N 3.11Å; R242-R244 VanDerWaalsContact C-N 3.31Å; R242-R244 PolarHBondContact O-N 3.3Å; R242-H245 PolarHBondContact O-N 2.85Å; R242-H245 VanDerWaalsContact O-N 3.12Å; R242-V246 WeakPolarHBondContact O-CG2 3.47Å; R242-V246 PolarHBondContact O-N 2.85Å
243F73.3Confident74.2Confident140 Ų140128 Ų12861%0.61456%0.564SS**Hα-helixtrans-58.6-41175.9-88.2-69.5000112.5L239 H245 V246 Y247L239-F243 HydrophobicContact CD1-CD2 4.48Å; L239-F243 HydrophobicContact CD1-CE2 4.17Å; L239-F243 HydrophobicContact CD2-CE2 4.1Å; L239-F243 HydrophobicContact CG-CD2 3.94Å; L239-F243 HydrophobicContact CG-CE2 3.8Å; L239-F243 WeakPolarHBondContact O-CD2 3.3Å; L239-F243 PolarHBondContact O-N 3.13Å; F243-H245 PolarHBondContact O-N 3.45Å; F243-V246 PolarHBondContact O-N 3.27Å; F243-Y247 WeakPolarHBondContact O-CB 3.28Å; F243-Y247 PolarHBondContact O-N 3.44Å
244R75.6Confident74.2Confident131 Ų131128.8 Ų128.849%0.49456%0.562SS.*Hα-helixtrans-62-38.9175.1177.8162.151.3-127.2-3.7112.9Q240 R241 R242 L248Q240-R244 WeakPolarHBondContact O-CB 3.23Å; Q240-R244 PolarHBondContact O-N 3.34Å; Q240-R244 VanDerWaalsContact O-N 3.11Å; R241-R244 PolarHBondContact O-N 2.85Å; R242-R244 VanDerWaalsContact C-N 3.31Å; R242-R244 PolarHBondContact O-N 3.3Å; R244-L248 HydrophobicContact CG-CD1 4.06Å; R244-L248 WeakPolarHBondContact O-CB 3.32Å; R244-L248 PolarHBondContact O-N 2.87Å
245H78.6Confident74.6Confident138 Ų138125.6 Ų125.664%0.63956%0.555SS**Hα-helixtrans-67.3-39.9173.5-83.1-73000112.9R241 R242 F243 R249R241-H245 PolarHBondContact O-CD2 3.45Å; R241-H245 VanDerWaalsContact O-CD2 3.3Å; R241-H245 PolarHBondContact O-N 3.31Å; R241-H245 VanDerWaalsContact O-N 3.15Å; R242-H245 PolarHBondContact O-N 2.85Å; R242-H245 VanDerWaalsContact O-N 3.12Å; F243-H245 PolarHBondContact O-N 3.45Å; H245-R249 WeakPolarHBondContact O-CB 3.43Å; H245-R249 PolarHBondContact O-N 2.94Å
246V77.2Confident74.8Confident92 Ų92126.2 Ų126.256%0.55855%0.554SS**Hα-helixtrans-64-48175.51750000110.5R242 F243 L248 R249 E250R242-V246 WeakPolarHBondContact O-CG2 3.47Å; R242-V246 PolarHBondContact O-N 2.85Å; F243-V246 PolarHBondContact O-N 3.27Å; V246-L248 PolarHBondContact O-N 2.91Å; V246-R249 CarbonylContact O-C 3.57Å; V246-R249 WeakPolarHBondContact O-CB 3.28Å; V246-R249 PolarHBondContact O-N 3.44Å; V246-R249 VanDerWaalsContact O-N 3.11Å; V246-E250 WeakPolarHBondContact O-CB 3.27Å; V246-E250 PolarHBondContact O-N 3.48Å
247Y74.5Confident75Confident148 Ų148122.6 Ų122.658%0.5854%0.537SS*.Hα-helixtrans-59.4-43.2177.1177.6-100.8000112.9F243 E250 R251F243-Y247 WeakPolarHBondContact O-CB 3.28Å; F243-Y247 PolarHBondContact O-N 3.44Å; Y247-E250 PolarHBondContact O-N 2.98Å; Y247-R251 WeakPolarHBondContact O-CB 3.37Å; Y247-R251 PolarHBondContact O-N 2.87Å
248L77.8Confident74.9Confident84 Ų84122 Ų12244%0.4454%0.542SS..Hα-helixtrans-62.3-42173.4-85.9158.7000111.9R244 V246 R251 I252R244-L248 HydrophobicContact CG-CD1 4.06Å; R244-L248 WeakPolarHBondContact O-CB 3.32Å; R244-L248 PolarHBondContact O-N 2.87Å; V246-L248 PolarHBondContact O-N 2.91Å; L248-R251 PolarHBondContact O-N 3.48Å; L248-I252 WeakPolarHBondContact O-CD1 3.34Å; L248-I252 VanDerWaalsContact O-CG1 3.25Å; L248-I252 WeakPolarHBondContact O-CG1 3.44Å; L248-I252 PolarHBondContact O-N 3.37Å
249R75.6Confident75Confident203 Ų203121 Ų12177%0.76654%0.539SS*.Hα-helixtrans-67.1-38.4178-165.4177.6-171.3-176.42.5112H245 V246 I252 F253H245-R249 WeakPolarHBondContact O-CB 3.43Å; H245-R249 PolarHBondContact O-N 2.94Å; V246-R249 CarbonylContact O-C 3.57Å; V246-R249 WeakPolarHBondContact O-CB 3.28Å; V246-R249 PolarHBondContact O-N 3.44Å; V246-R249 VanDerWaalsContact O-N 3.11Å; R249-I252 PolarHBondContact O-N 3.21Å; R249-F253 WeakPolarHBondContact O-CB 3.4Å; R249-F253 PolarHBondContact O-N 3.01Å
250E77.6Confident75.1Confident100 Ų100121.4 Ų121.447%0.46754%0.541SS..Hα-helixtrans-65.9-43.6174.5-158.6-159.2149.900111.1V246 Y247 I252 F253 W254V246-E250 WeakPolarHBondContact O-CB 3.27Å; V246-E250 PolarHBondContact O-N 3.48Å; Y247-E250 PolarHBondContact O-N 2.98Å; E250-I252 PolarHBondContact O-N 2.92Å; E250-F253 WeakPolarHBondContact O-CB 3.48Å; E250-F253 PolarHBondContact O-N 2.86Å; E250-F253 VanDerWaalsContact O-N 3.15Å; E250-W254 VanDerWaalsContact O-CD1 3.3Å; E250-W254 PolarHBondContact O-N 3.49Å; E250-W254 PolarHBondContact OE1-NE1 2.88Å; E250-W254 VanDerWaalsContact OE1-NE1 3.15Å
251R74.9Confident74.8Confident157 Ų157123.4 Ų123.459%0.59254%0.544SS*.Hα-helixtrans-60.6-44.1174.9-171.5178-178.9-1721111.8Y247 L248 F253 W254 Q255Y247-R251 WeakPolarHBondContact O-CB 3.37Å; Y247-R251 PolarHBondContact O-N 2.87Å; L248-R251 PolarHBondContact O-N 3.48Å; R251-F253 VanDerWaalsContact C-N 3.33Å; R251-W254 PolarHBondContact O-N 3.44Å; R251-Q255 VanDerWaalsContact O-CB 3.29Å; R251-Q255 WeakPolarHBondContact O-CB 3.43Å; R251-Q255 PolarHBondContact O-N 3.46Å
252I77.6Confident74.7Confident96 Ų96122.6 Ų122.649%0.49255%0.549SS..Hα-helixtrans-63.1-40.7174.4-67.7162.7000110.7L248 R249 E250 Q255 Q256L248-I252 WeakPolarHBondContact O-CD1 3.34Å; L248-I252 VanDerWaalsContact O-CG1 3.25Å; L248-I252 WeakPolarHBondContact O-CG1 3.44Å; L248-I252 PolarHBondContact O-N 3.37Å; R249-I252 PolarHBondContact O-N 3.21Å; E250-I252 PolarHBondContact O-N 2.92Å; I252-Q255 PolarHBondContact O-N 3.42Å; I252-Q256 WeakPolarHBondContact O-CG 3.39Å; I252-Q256 PolarHBondContact O-N 3.3Å
253F77.4Confident74.7Confident133 Ų133117.1 Ų117.158%0.58354%0.536SS*.Hα-helixtrans-63.6-45.9176.7-178-99.3000112.2R249 E250 R251 Q255 Q256 L257R249-F253 WeakPolarHBondContact O-CB 3.4Å; R249-F253 PolarHBondContact O-N 3.01Å; E250-F253 WeakPolarHBondContact O-CB 3.48Å; E250-F253 PolarHBondContact O-N 2.86Å; E250-F253 VanDerWaalsContact O-N 3.15Å; R251-F253 VanDerWaalsContact C-N 3.33Å; F253-Q255 VanDerWaalsContact C-N 3.29Å; F253-Q255 PolarHBondContact O-N 2.98Å; F253-Q256 PolarHBondContact O-N 2.89Å; F253-L257 VanDerWaalsContact O-CB 3.31Å; F253-L257 WeakPolarHBondContact O-CB 3.32Å; F253-L257 PolarHBondContact O-N 2.9Å
254W70.6Confident74.7Confident133 Ų133115.5 Ų115.550%0.50453%0.533SS..Hα-helixtrans-62.4-34.5173.5-83.3110.2000112.9E250 R251 L257 S258E250-W254 VanDerWaalsContact O-CD1 3.3Å; E250-W254 PolarHBondContact O-N 3.49Å; E250-W254 PolarHBondContact OE1-NE1 2.88Å; E250-W254 VanDerWaalsContact OE1-NE1 3.15Å; R251-W254 PolarHBondContact O-N 3.44Å; W254-L257 HydrophobicContact CE3-CD2 4.13Å; W254-L257 HydrophobicContact CZ3-CD2 4.07Å; W254-L257 PolarHBondContact O-N 2.94Å; W254-S258 WeakPolarHBondContact O-CB 3.27Å; W254-S258 PolarHBondContact O-N 3.33Å; W254-S258 PolarHBondContact O-OG 3.48Å
255Q73.4Confident74.3Confident116 Ų116117.3 Ų117.354%0.54254%0.54SS..Hα-helixtrans-72.6-36.6177.2-161.2168.43.100112R251 I252 F253 S258 I259R251-Q255 VanDerWaalsContact O-CB 3.29Å; R251-Q255 WeakPolarHBondContact O-CB 3.43Å; R251-Q255 PolarHBondContact O-N 3.46Å; I252-Q255 PolarHBondContact O-N 3.42Å; F253-Q255 VanDerWaalsContact C-N 3.29Å; F253-Q255 PolarHBondContact O-N 2.98Å; Q255-S258 PolarHBondContact O-OG 2.86Å; Q255-I259 WeakPolarHBondContact O-CD1 3.36Å; Q255-I259 VanDerWaalsContact O-CG1 3.25Å; Q255-I259 WeakPolarHBondContact O-CG1 3.38Å; Q255-I259 PolarHBondContact O-N 3.19Å
256Q72.6Confident73.6Confident122 Ų122113.9 Ų113.957%0.5753%0.529SS*.Hα-helixtrans-67.8-40.3169.2-72.5-69.9-9.300111.6I252 F253 I259 L260I252-Q256 WeakPolarHBondContact O-CG 3.39Å; I252-Q256 PolarHBondContact O-N 3.3Å; F253-Q256 PolarHBondContact O-N 2.89Å; Q256-I259 PolarHBondContact O-N 3.19Å; Q256-L260 WeakPolarHBondContact O-CB 3.39Å; Q256-L260 PolarHBondContact O-N 2.94Å
257L73.8Confident73.2Confident49 Ų49113.5 Ų113.526%0.25753%0.527SS..Hα-helixtrans-69-32.7178.4-164.871.9000112.3F253 W254 R261F253-L257 VanDerWaalsContact O-CB 3.31Å; F253-L257 WeakPolarHBondContact O-CB 3.32Å; F253-L257 PolarHBondContact O-N 2.9Å; W254-L257 HydrophobicContact CE3-CD2 4.13Å; W254-L257 HydrophobicContact CZ3-CD2 4.07Å; W254-L257 PolarHBondContact O-N 2.94Å; L257-R261 WeakPolarHBondContact O-CB 3.48Å; L257-R261 VanDerWaalsContact O-CG 3.27Å; L257-R261 WeakPolarHBondContact O-CG 3.35Å; L257-R261 PolarHBondContact O-N 3.34Å
258S69.9Low72.5Confident64 Ų64111.3 Ų111.345%0.44853%0.525SS..Hα-helixtrans-71.2-40174.169.40000111.8W254 Q255 R261 L262W254-S258 WeakPolarHBondContact O-CB 3.27Å; W254-S258 PolarHBondContact O-N 3.33Å; W254-S258 PolarHBondContact O-OG 3.48Å; Q255-S258 PolarHBondContact O-OG 2.86Å; S258-R261 PolarHBondContact O-N 3.46Å; S258-L262 WeakPolarHBondContact O-CB 3.41Å; S258-L262 PolarHBondContact O-N 2.88Å
259I75.1Confident71.5Confident93 Ų93113.4 Ų113.448%0.47753%0.532SS..Hα-helixtrans-60.3-48.2170.5-67.1163.9000110.1Q255 Q256 R261 L262 V263Q255-I259 WeakPolarHBondContact O-CD1 3.36Å; Q255-I259 VanDerWaalsContact O-CG1 3.25Å; Q255-I259 WeakPolarHBondContact O-CG1 3.38Å; Q255-I259 PolarHBondContact O-N 3.19Å; Q256-I259 PolarHBondContact O-N 3.19Å; I259-R261 PolarHBondContact O-N 3.48Å; I259-L262 WeakPolarHBondContact O-CB 3.38Å; I259-L262 PolarHBondContact O-N 2.97Å; I259-L262 VanDerWaalsContact O-N 3.09Å; I259-V263 HydrophobicContact CG2-CG2 4.49Å; I259-V263 WeakPolarHBondContact O-CG2 3.3Å; I259-V263 PolarHBondContact O-N 3.11Å
260L76.9Confident70.7Confident110 Ų110108.8 Ų108.858%0.57652%0.522SS*.Hα-helixtrans-62.5-40178.4-173.365.8000112.3Q256 L262 V263 L264Q256-L260 WeakPolarHBondContact O-CB 3.39Å; Q256-L260 PolarHBondContact O-N 2.94Å; L260-L262 VanDerWaalsContact C-N 3.33Å; L260-V263 PolarHBondContact O-N 3.4Å; L260-L264 VanDerWaalsContact O-CB 3.28Å; L260-L264 WeakPolarHBondContact O-CB 3.44Å; L260-L264 PolarHBondContact O-N 2.97Å
261R68.9Low69.5Low161 Ų161108 Ų10861%0.60852%0.521SS*.Hα-helixtrans-63.8-36.4172.3-79178.7-178.6-161.21.7112.3L257 S258 I259 R265L257-R261 WeakPolarHBondContact O-CB 3.48Å; L257-R261 VanDerWaalsContact O-CG 3.27Å; L257-R261 WeakPolarHBondContact O-CG 3.35Å; L257-R261 PolarHBondContact O-N 3.34Å; S258-R261 PolarHBondContact O-N 3.46Å; I259-R261 PolarHBondContact O-N 3.48Å; R261-R265 VanDerWaalsContact O-CB 3.28Å; R261-R265 WeakPolarHBondContact O-CB 3.46Å; R261-R265 PolarHBondContact O-N 3.49Å
262L73.1Confident68.4Low112 Ų112105.5 Ų105.559%0.58652%0.519SS*.Hα-helixtrans-68.4-44.6177.2-158.476.6000110.9S258 I259 L260 R265 T266S258-L262 WeakPolarHBondContact O-CB 3.41Å; S258-L262 PolarHBondContact O-N 2.88Å; I259-L262 WeakPolarHBondContact O-CB 3.38Å; I259-L262 PolarHBondContact O-N 2.97Å; I259-L262 VanDerWaalsContact O-N 3.09Å; L260-L262 VanDerWaalsContact C-N 3.33Å; L262-R265 PolarHBondContact O-N 2.82Å; L262-T266 PolarHBondContact O-N 3.01Å; L262-T266 PolarHBondContact O-OG1 2.91Å
263V74.5Confident67.1Low78 Ų78104 Ų10447%0.47352%0.521SS..Hα-helixtrans-64.3-42.8174.9173.90000111.5I259 L260 R265 T266 V267I259-V263 HydrophobicContact CG2-CG2 4.49Å; I259-V263 WeakPolarHBondContact O-CG2 3.3Å; I259-V263 PolarHBondContact O-N 3.11Å; L260-V263 PolarHBondContact O-N 3.4Å; V263-R265 VanDerWaalsContact C-N 3.29Å; V263-R265 PolarHBondContact O-N 2.7Å; V263-T266 WeakPolarHBondContact CA-OG1 3.47Å; V263-T266 PolarHBondContact O-N 3.13Å; V263-T266 PolarHBondContact O-OG1 3.21Å; V263-V267 WeakPolarHBondContact O-CG2 3.4Å; V263-V267 PolarHBondContact O-N 2.87Å
264L72.8Confident65.7Low105 Ų105104.3 Ų104.355%0.5553%0.529SS..Hα-helixtrans-63.7-37.1175.5-172.466.2000111.4L260 V267 L268L260-L264 VanDerWaalsContact O-CB 3.28Å; L260-L264 WeakPolarHBondContact O-CB 3.44Å; L260-L264 PolarHBondContact O-N 2.97Å; L264-V267 PolarHBondContact O-N 3.35Å; L264-L268 HydrophobicContact CG-CD1 4.44Å; L264-L268 WeakPolarHBondContact O-CB 3.33Å; L264-L268 PolarHBondContact O-N 2.99Å
265R67.6Low64.7Low170 Ų170107.5 Ų107.564%0.64254%0.541SS*.Hα-helixtrans-66.5-38.7173.1176176.9-84.1175-8.1112.2R261 L262 V263 Q269R261-R265 VanDerWaalsContact O-CB 3.28Å; R261-R265 WeakPolarHBondContact O-CB 3.46Å; R261-R265 PolarHBondContact O-N 3.49Å; L262-R265 PolarHBondContact O-N 2.82Å; V263-R265 VanDerWaalsContact C-N 3.29Å; V263-R265 PolarHBondContact O-N 2.7Å; R265-Q269 WeakPolarHBondContact O-CB 3.45Å; R265-Q269 PolarHBondContact O-N 3.42Å
266T64.9Low63.3Low65 Ų65104.7 Ų104.740%0.39954%0.543SS..Hα-helixtrans-69.3-37.6175.3540000111.9L262 V263 Q269 I270L262-T266 PolarHBondContact O-N 3.01Å; L262-T266 PolarHBondContact O-OG1 2.91Å; V263-T266 WeakPolarHBondContact CA-OG1 3.47Å; V263-T266 PolarHBondContact O-N 3.13Å; V263-T266 PolarHBondContact O-OG1 3.21Å; T266-Q269 PolarHBondContact O-N 3.12Å; T266-I270 VanDerWaalsContact O-CG1 3.28Å; T266-I270 WeakPolarHBondContact O-CG1 3.35Å; T266-I270 PolarHBondContact O-N 2.84Å
267V66.9Low61.9Low85 Ų85111 Ų11152%0.51556%0.562SS.*Hα-helixtrans-64.4-43.7173.51740000111.5V263 L264 Q269 I270 D271V263-V267 WeakPolarHBondContact O-CG2 3.4Å; V263-V267 PolarHBondContact O-N 2.87Å; L264-V267 PolarHBondContact O-N 3.35Å; V267-Q269 VanDerWaalsContact C-N 3.33Å; V267-Q269 PolarHBondContact O-N 3.33Å; V267-I270 PolarHBondContact O-N 3.47Å; V267-D271 PolarHBondContact O-N 3.21Å
268L61.7Low60.2Low101 Ų101111.9 Ų111.953%0.52958%0.582SS.*Hα-helixtrans-63.9-33.9172.1-92.5158.1000113.1L264 N272L264-L268 HydrophobicContact CG-CD1 4.44Å; L264-L268 WeakPolarHBondContact O-CB 3.33Å; L264-L268 PolarHBondContact O-N 2.99Å; L268-N272 WeakPolarHBondContact O-CB 3.41Å; L268-N272 PolarHBondContact O-N 3.49Å
269Q56.4Low58.8Low128 Ų128117.3 Ų117.360%0.59861%0.606SS**Hα-helixtrans-69.5-35.3172.1-90.4-169-86.900112.6R265 T266 V267 A273R265-Q269 WeakPolarHBondContact O-CB 3.45Å; R265-Q269 PolarHBondContact O-N 3.42Å; T266-Q269 PolarHBondContact O-N 3.12Å; V267-Q269 VanDerWaalsContact C-N 3.33Å; V267-Q269 PolarHBondContact O-N 3.33Å; Q269-A273 WeakPolarHBondContact O-CB 3.22Å; Q269-A273 PolarHBondContact O-N 2.88Å
270I58.6Low57.1Low107 Ų107116.1 Ų116.155%0.54962%0.617SS.*Hα-helixtrans-66.4-42.3175-70.8161.6000110.4T266 V267 A273 N274T266-I270 VanDerWaalsContact O-CG1 3.28Å; T266-I270 WeakPolarHBondContact O-CG1 3.35Å; T266-I270 PolarHBondContact O-N 2.84Å; V267-I270 PolarHBondContact O-N 3.47Å; I270-A273 PolarHBondContact O-N 3.05Å; I270-N274 PolarHBondContact O-N 2.97Å; I270-N274 VanDerWaalsContact O-N 3.13Å
271D51.8Low55Low84 Ų84118.2 Ų118.245%0.44963%0.629SS.*Hα-helixtrans-66.2-38.7177-160.258.7000112.3V267 R275V267-D271 PolarHBondContact O-N 3.21Å; D271-R275 IonicContact OD2-NH1 3.39Å; D271-R275 PolarHBondContact OD2-NH1 2.93Å
272N51.7Low53.6Low103 Ų103116.2 Ų116.255%0.55163%0.634SS**Hα-helixtrans-70.6-34.7171.9-81.8-17000113.2L268 N274 R275 G276L268-N272 WeakPolarHBondContact O-CB 3.41Å; L268-N272 PolarHBondContact O-N 3.49Å; N272-N274 VanDerWaalsContact C-N 3.3Å; N272-N274 PolarHBondContact O-N 3.05Å; N272-R275 PolarHBondContact O-N 2.74Å; N272-G276 PolarHBondContact O-N 2.88Å
273A50.2Low51.7Low66 Ų66119.9 Ų119.955%0.54564%0.641SS.*Hα-helixtrans-65.6-33.3178.300000112.1Q269 I270 R275 G276Q269-A273 WeakPolarHBondContact O-CB 3.22Å; Q269-A273 PolarHBondContact O-N 2.88Å; I270-A273 PolarHBondContact O-N 3.05Å; A273-R275 PolarHBondContact O-N 3.37Å; A273-G276 PolarHBondContact O-N 2.9Å
274N47.8Very low49.8Very low139 Ų139122.3 Ų122.374%0.74365%0.647SS**THydrogen-bonded Turntrans-70.5-9.7171.6-79.1-18.8000114I270 N272I270-N274 PolarHBondContact O-N 2.97Å; I270-N274 VanDerWaalsContact O-N 3.13Å; N272-N274 VanDerWaalsContact C-N 3.3Å; N272-N274 PolarHBondContact O-N 3.05Å
275R49.3Very low47.9Very low199 Ų199123.4 Ų123.475%0.75165%0.649SS**THydrogen-bonded Turntrans-110.2-3.2177-78.4-174.1165.8115.5-3.5114.5D271 N272 A273D271-R275 IonicContact OD2-NH1 3.39Å; D271-R275 PolarHBondContact OD2-NH1 2.93Å; N272-R275 PolarHBondContact O-N 2.74Å; A273-R275 PolarHBondContact O-N 3.37Å
276G45.2Very low46.4Very low57 Ų57125.8 Ų125.859%0.58866%0.658SS**  trans-129.549.8-168.200000114.9N272 A273 G278N272-G276 PolarHBondContact O-N 2.88Å; A273-G276 PolarHBondContact O-N 2.9Å; G276-G278 PolarHBondContact O-N 3.48Å
277R42.8Very low45.2Very low256 Ų256132.9 Ų132.997%0.96668%0.678SS**  trans-93.587.6169.4-165.1178.7-144.3-97.1-0.1110.6
278G38Very low43.7Very low67 Ų67135.4 Ų135.469%0.69169%0.688SS**  trans-151.9147.7169.200000109.4G276G276-G278 PolarHBondContact O-N 3.48Å
279D39.8Very low43.3Very low178 Ų178135.5 Ų135.595%0.95270%0.695SS**  trans-43.3152.9-175.8-60.6-50.4000114.9
280G40.7Very low43.3Very low68 Ų68135.2 Ų135.270%0.70170%0.704SS**  cis164.2143.64.300000109.5
281D33Very low42.3Very low154 Ų154137.7 Ų137.782%0.82472%0.718SS**  trans39.4114.8169.1-73.9-1.8000122.2
282T38.3Very low41.6Very low118 Ų118137.1 Ų137.172%0.72473%0.732SS**  26.8142121.336.60000120.2
283R33.6Very low40.7Very low190 Ų190144.2 Ų144.272%0.71775%0.751SS**  cis-171.214942.8-143.6171.6158.1-169.4-24.5113.2
284E34.6Very low40.2Very low129 Ų129146 Ų14660%0.60377%0.766SS**  trans53.8148.7146.2-77.6160.4-165.600120.9
285E33.1Very low39.5Very low127 Ų127142.9 Ų142.959%0.59377%0.766SS**  cis-162.4154.8-13.2-179.6161.8154.800111
286R36.4Very low38.7Very low221 Ų221141.7 Ų141.783%0.83478%0.775SS**  trans71.8148158.5-95.9173-131.4-137-1.1122.5
287R39.8Very low38Very low214 Ų214142.9 Ų142.981%0.80879%0.787SS**  trans-129.1143.6175.7-98.4-173.7-172.8159.61.7108.5
288D34.3Very low37.4Very low138 Ų138135.5 Ų135.574%0.73878%0.781SS**  trans62.5165.8145.4-48.8-24.9000117.5
289P54.3Low37Very low102 Ų102142 Ų14266%0.66279%0.794SS**  cis-130.1178.75.241.1-23.8000115.4
290P55.3Low36.4Very low122 Ų122142.2 Ų142.279%0.79279%0.789SS**  trans-86.9138.8167.634.3-32.5000112.1
291D37.9Very low35.7Very low160 Ų160147.5 Ų147.586%0.85680%0.795SS**  trans-134.6138.8166.9-91-48000109.7
292G37.8Very low35.4Very low71 Ų71145.8 Ų145.873%0.73279%0.785SS**  trans-107.7174.2-173.800000114.2
293R32.3Very low34.9Very low252 Ų252147.3 Ų147.395%0.95178%0.784SS**  trans-158.6145.6155.4-117.7176.8-167.2-143.21.4112.2
294A38.9Very low34.5Very low103 Ų103145.2 Ų145.285%0.85179%0.787SS**  trans-80.8157.6162.900000110.4
295G33.3Very low34.2Very low74 Ų74146.3 Ų146.376%0.76380%0.796SS**  trans-175.9121.8173.300000111.2
296D32.4Very low34.5Very low175 Ų175146 Ų14694%0.93681%0.805SS**  trans-73.4163.4-176.9-50.7-75.1000113.2
297G30.7Very low34Very low81 Ų81141.1 Ų141.184%0.83581%0.805SS**  trans172.899169.700000113.1
298A30.2Very low33.3Very low101 Ų101136.6 Ų136.684%0.83581%0.806SS**  trans-83.8148.4178.300000112.3
299Q29.6Very low33.3Very low205 Ų205135.2 Ų135.296%0.95881%0.807SS**  trans-145.3139.6152.1-112.8159-27.500109.6
300Q28.4Very low32.3Very low182 Ų182136.2 Ų136.285%0.8582%0.817SS**  trans-124.8166.5-172175.6170.3-26.800108.2
301E26Very low31.2Very low179 Ų179138.1 Ų138.184%0.83682%0.821SS**  trans95.7150.9-180-57.5-173.5113.100115.6
302L26.6Very low30.8Very low117 Ų117133.8 Ų133.861%0.61381%0.814SS**  cis-177.6140.3-32.417760.4000105.6
303Q26.5Very low30.5Very low151 Ų151135.3 Ų135.371%0.70681%0.813SS**  trans64.2155.9166.8-79151.9500115.4
304D26.1Very low30.5Very low145 Ų145131.3 Ų131.378%0.77581%0.809SS**  cis-142.8162.39-102.5-38.6000112.7
305L29.1Very low30.1Very low152 Ų152136.6 Ų136.680%0.79681%0.807SS**  trans-95.9149.1158-103.7155.7000108.4
306P37.9Very low29.8Very low120 Ų120139.5 Ų139.578%0.77981%0.81SS**  -143.9161.611336.1-22.4000115.5
307S25.9Very low29.8Very low119 Ų119135.6 Ų135.683%0.83280%0.797SS**  trans-71.6149173.8-39.40000113
308S26.4Very low30Very low119 Ų119138 Ų13883%0.83280%0.798SS**  trans-151.4138.7140.570.10000112.7
309S33.6Very low30.1Very low109 Ų109138.2 Ų138.276%0.76279%0.793SS**  trans-72.6151.7171.149.60000112.1
310S33.6Very low30.3Very low124 Ų124134.4 Ų134.487%0.86779%0.789SS**  trans-148.9113146.5-76.30000110.2
311D31Very low30.5Very low162 Ų162131.5 Ų131.587%0.86679%0.789SS**  trans-69.2154.1163.9-168.60.3000109.2
312G30.3Very low31.1Very low69 Ų69131.4 Ų131.471%0.71179%0.794SS**  trans-16438.8-161.600000114.9L314G312-L314 PolarHBondContact O-N 2.78Å
313S32.3Very low31.3Very low102 Ų102129.3 Ų129.371%0.71380%0.8SS**  trans-62124.7169.7178.10000111.5
314L31.1Very low31.7Very low168 Ų168130.7 Ų130.788%0.8880%0.804SS**  trans-148.7123.2153.9-117.4149000112.4G312G312-L314 PolarHBondContact O-N 2.78Å
315R31.9Very low32.2Very low214 Ų214130.2 Ų130.281%0.80880%0.801SS**  trans-79.9140.1175.5-72.4-98.6176166.1-4.3109.8
316T26.1Very low32.5Very low135 Ų135126.4 Ų126.483%0.82880%0.798SS**  trans-138.9104.6154.3-40.40000110.1
317S31.8Very low33Very low94 Ų94130.8 Ų130.866%0.65781%0.805SS**  trans-87.6150.8163.7-46.40000109.1
318P36.6Very low33.8Very low132 Ų132132 Ų13286%0.85780%0.802SS**  trans-111.8137.5144.15.813.9000110.1
319S30.6Very low35Very low105 Ų105130.4 Ų130.473%0.73478%0.783SS**  trans-134.2164.3171.958.90000110.1
320S35.3Very low36.2Very low124 Ų124130.4 Ų130.487%0.86778%0.781SS**  trans80143.3-168.582.80000114.5
321S31.3Very low37.4Very low122 Ų122127.2 Ų127.285%0.85376%0.762SS**  cis-140.1176.911.360.70000114.1
322L38.4Very low39Very low177 Ų177125 Ų12593%0.92775%0.746SS**  trans-95.5141.1-163.4174.671.9000112.9
323G31.6Very low41.2Very low73 Ų73125.1 Ų125.175%0.75374%0.736SS**  trans178.763.2174.800000120.2
324K35.1Very low43.5Very low180 Ų180125.5 Ų125.578%0.78373%0.73SS**  trans50.3134149.7-91.8-171.7149.6-146.20124.6
325D35.8Very low45.7Very low135 Ų135122.9 Ų122.972%0.72272%0.716SS**  trans70.4105.2139.8-54.2-21.2000120.5
326G37Very low48Very low71 Ų71116.4 Ų116.473%0.73270%0.7SS**  trans156.487.3168.700000113.9L328G326-L328 PolarHBondContact O-N 2.96Å
327K48Very low50.8Low212 Ų212114 Ų11492%0.92268%0.682SS**  trans-83.678.7-170.5-164.2178.7-175.6-178.30113.5
328L41.4Very low53.2Low146 Ų146115.1 Ų115.176%0.76468%0.68SS**  trans-148.8142.2173.8-66.4173000108.9G326G326-L328 PolarHBondContact O-N 2.96Å
329L52.6Low55.4Low84 Ų84115 Ų11544%0.4467%0.666SS.*  cis-140.6132.5-27.4-85.5177.2000108.4A331 E332L329-A331 PolarHBondContact O-N 3.37Å; L329-E332 HydrophobicContact CB-CB 4.5Å; L329-E332 HydrophobicContact CB-CG 4.03Å; L329-E332 HydrophobicContact CD1-CG 4.32Å; L329-E332 PolarHBondContact O-N 2.93Å
330P59.3Low57.9Low110 Ų110113.6 Ų113.671%0.71465%0.648SS**Hα-helixtrans-61.4-27.1175.3-23.534.1000113.7L334P330-L334 PolarHBondContact O-N 3.35Å
331A58.8Low60.4Low56 Ų56112.4 Ų112.446%0.46363%0.628SS.*Hα-helixtrans-66.8-38.4-18000000112.9L329 S333 L334 L335L329-A331 PolarHBondContact O-N 3.37Å; A331-S333 PolarHBondContact O-N 2.98Å; A331-L334 PolarHBondContact O-N 2.9Å; A331-L335 WeakPolarHBondContact O-CB 3.49Å; A331-L335 VanDerWaalsContact O-CG 3.28Å; A331-L335 WeakPolarHBondContact O-CG 3.28Å; A331-L335 PolarHBondContact O-N 3Å
332E64.5Low63.1Low115 Ų115112.5 Ų112.554%0.53762%0.615SS.*Hα-helixtrans-64.9-42.8-179.6-68.8176166.800110.9L329 L334 L335 T336L329-E332 HydrophobicContact CB-CB 4.5Å; L329-E332 HydrophobicContact CB-CG 4.03Å; L329-E332 HydrophobicContact CD1-CG 4.32Å; L329-E332 PolarHBondContact O-N 2.93Å; E332-L334 VanDerWaalsContact C-N 3.3Å; E332-L334 PolarHBondContact O-N 3.5Å; E332-L335 PolarHBondContact O-N 3.2Å; E332-T336 WeakPolarHBondContact O-CG2 3.43Å; E332-T336 PolarHBondContact O-N 3.46Å; E332-T336 PolarHBondContact O-OG1 3.44Å
333S76.2Confident65.4Low72 Ų72108.8 Ų108.850%0.50359%0.593SS.*Hα-helixtrans-64.6-30175.9-173.70000113.5A331 T336 L337A331-S333 PolarHBondContact O-N 2.98Å; S333-T336 WeakPolarHBondContact CA-OG1 3.3Å; S333-T336 PolarHBondContact O-OG1 3.32Å; S333-T336 VanDerWaalsContact O-OG1 3.05Å; S333-L337 VanDerWaalsContact O-CG 3.28Å; S333-L337 WeakPolarHBondContact O-CG 3.46Å; S333-L337 PolarHBondContact O-N 2.87Å
334L79.5Confident68Low110 Ų110111.6 Ų111.658%0.57658%0.581SS**Hα-helixtrans-77.9-38.9173.6-69.4175.9000111.8P330 A331 E332 L337 L338P330-L334 PolarHBondContact O-N 3.35Å; A331-L334 PolarHBondContact O-N 2.9Å; E332-L334 VanDerWaalsContact C-N 3.3Å; E332-L334 PolarHBondContact O-N 3.5Å; L334-L337 PolarHBondContact O-N 3.1Å; L334-L338 WeakPolarHBondContact O-CG 3.5Å; L334-L338 PolarHBondContact O-N 3.47Å
335L78.1Confident70.6Confident113 Ų113109.2 Ų109.259%0.59257%0.571SS**Hα-helixtrans-65.5-38.6177.2-71.6170.2000112A331 E332 L338 K339A331-L335 WeakPolarHBondContact O-CB 3.49Å; A331-L335 VanDerWaalsContact O-CG 3.28Å; A331-L335 WeakPolarHBondContact O-CG 3.28Å; A331-L335 PolarHBondContact O-N 3Å; E332-L335 PolarHBondContact O-N 3.2Å; L335-L338 PolarHBondContact O-N 2.93Å; L335-K339 WeakPolarHBondContact O-CB 3.35Å; L335-K339 PolarHBondContact O-N 3.31Å
336T80.7Confident73.3Confident78 Ų78105.8 Ų105.848%0.47955%0.55SS..Hα-helixtrans-63.7-45.2173.1520000111.6E332 S333 L338 K339 E340E332-T336 WeakPolarHBondContact O-CG2 3.43Å; E332-T336 PolarHBondContact O-N 3.46Å; E332-T336 PolarHBondContact O-OG1 3.44Å; S333-T336 WeakPolarHBondContact CA-OG1 3.3Å; S333-T336 PolarHBondContact O-OG1 3.32Å; S333-T336 VanDerWaalsContact O-OG1 3.05Å; T336-L338 PolarHBondContact O-N 2.85Å; T336-K339 PolarHBondContact O-N 2.89Å; T336-E340 WeakPolarHBondContact O-CG 3.41Å; T336-E340 PolarHBondContact O-N 3.3Å
337L83.4Confident76Confident84 Ų84102.4 Ų102.444%0.4452%0.515SS..Hα-helixtrans-63.4-40.5177-71.3175.1000113S333 L334 E340 Q341S333-L337 VanDerWaalsContact O-CG 3.28Å; S333-L337 WeakPolarHBondContact O-CG 3.46Å; S333-L337 PolarHBondContact O-N 2.87Å; L334-L337 PolarHBondContact O-N 3.1Å; L337-E340 PolarHBondContact O-N 3.19Å; L337-Q341 WeakPolarHBondContact O-CB 3.46Å; L337-Q341 VanDerWaalsContact O-CG 3.23Å; L337-Q341 WeakPolarHBondContact O-CG 3.41Å; L337-Q341 PolarHBondContact O-N 2.96Å
338L82.4Confident78.2Confident119 Ų11995.1 Ų95.162%0.62349%0.488SS*.Hα-helixtrans-63.7-43.5175.2-72.7172.6000111.4L334 L335 T336 Q341 E342L334-L338 WeakPolarHBondContact O-CG 3.5Å; L334-L338 PolarHBondContact O-N 3.47Å; L335-L338 PolarHBondContact O-N 2.93Å; T336-L338 PolarHBondContact O-N 2.85Å; L338-Q341 PolarHBondContact O-N 3.01Å; L338-E342 PolarHBondContact O-N 2.92Å
339K82.8Confident80.6Confident129 Ų12992.4 Ų92.456%0.56147%0.473SS*.Hα-helixtrans-62.6-44.4176.9-170.2-179.3-179.6-167.30112L335 T336 Q341 E342 E343L335-K339 WeakPolarHBondContact O-CB 3.35Å; L335-K339 PolarHBondContact O-N 3.31Å; T336-K339 PolarHBondContact O-N 2.89Å; K339-Q341 VanDerWaalsContact C-N 3.33Å; K339-Q341 PolarHBondContact O-N 3.46Å; K339-E342 PolarHBondContact O-N 2.91Å; K339-E343 WeakPolarHBondContact CE-OE1 3.38Å; K339-E343 IonicContact NZ-OE1 3.29Å; K339-E343 WeakPolarHBondContact O-CG 3.43Å; K339-E343 PolarHBondContact O-N 3.45Å
340E84.6Confident82.5Confident75 Ų7590.3 Ų90.335%0.3547%0.465SS..Hα-helixtrans-61.5-39.5173.9-72.5-178.9-164.900112.6T336 L337 E342 R344T336-E340 WeakPolarHBondContact O-CG 3.41Å; T336-E340 PolarHBondContact O-N 3.3Å; L337-E340 PolarHBondContact O-N 3.19Å; E340-E342 VanDerWaalsContact C-N 3.3Å; E340-R344 WeakPolarHBondContact O-CB 3.49Å; E340-R344 WeakPolarHBondContact O-CG 3.36Å; E340-R344 PolarHBondContact O-N 2.75Å; E340-R344 IonicContact OE2-CZ 2.72Å; E340-R344 VanDerWaalsContact OE2-CZ 3.25Å; E340-R344 IonicContact OE2-NH1 2.96Å; E340-R344 PolarHBondContact OE2-NH1 3.23Å; E340-R344 IonicContact OE2-NH2 2.69Å; E340-R344 PolarHBondContact OE2-NH2 3.31Å
341Q86.7Confident84Confident99 Ų9991.7 Ų91.746%0.46346%0.462SS..Hα-helixtrans-67.3-31.6177-72.6-66.2-28.300112.1L337 L338 K339 K345L337-Q341 WeakPolarHBondContact O-CB 3.46Å; L337-Q341 VanDerWaalsContact O-CG 3.23Å; L337-Q341 WeakPolarHBondContact O-CG 3.41Å; L337-Q341 PolarHBondContact O-N 2.96Å; L338-Q341 PolarHBondContact O-N 3.01Å; K339-Q341 VanDerWaalsContact C-N 3.33Å; K339-Q341 PolarHBondContact O-N 3.46Å; Q341-K345 WeakPolarHBondContact O-CG 3.34Å
342E88Confident85.5Confident124 Ų12495 Ų9558%0.57947%0.472SS*.Hα-helixtrans-72.7-47.6173-174.1165.7-151.900111.6L338 K339 E340 R344 K345 K346L338-E342 PolarHBondContact O-N 2.92Å; K339-E342 PolarHBondContact O-N 2.91Å; E340-E342 VanDerWaalsContact C-N 3.3Å; E342-R344 VanDerWaalsContact C-N 3.31Å; E342-R344 PolarHBondContact O-N 3.28Å; E342-K345 WeakPolarHBondContact O-CB 3.35Å; E342-K345 PolarHBondContact O-N 3.44Å; E342-K346 WeakPolarHBondContact O-CG 3.45Å
343E87.4Confident86.9Confident99 Ų9992 Ų9246%0.46346%0.463SS..Hα-helixtrans-58.1-40.5175.5-73172.2-17600112K339 K345 K346K339-E343 WeakPolarHBondContact CE-OE1 3.38Å; K339-E343 IonicContact NZ-OE1 3.29Å; K339-E343 WeakPolarHBondContact O-CG 3.43Å; K339-E343 PolarHBondContact O-N 3.45Å; E343-K345 PolarHBondContact O-N 2.94Å; E343-K345 VanDerWaalsContact O-N 3.14Å; E343-K346 PolarHBondContact O-N 2.96Å
344R85.9Confident87.6Confident132 Ų13292.8 Ų92.850%0.49847%0.465SS..THydrogen-bonded Turntrans-61.6-19.1173.7-75.2171.6-172.8122.510.5114.1E340 E342 K355E340-R344 WeakPolarHBondContact O-CB 3.49Å; E340-R344 WeakPolarHBondContact O-CG 3.36Å; E340-R344 PolarHBondContact O-N 2.75Å; E340-R344 IonicContact OE2-CZ 2.72Å; E340-R344 VanDerWaalsContact OE2-CZ 3.25Å; E340-R344 IonicContact OE2-NH1 2.96Å; E340-R344 PolarHBondContact OE2-NH1 3.23Å; E340-R344 IonicContact OE2-NH2 2.69Å; E340-R344 PolarHBondContact OE2-NH2 3.31Å; E342-R344 VanDerWaalsContact C-N 3.31Å; E342-R344 PolarHBondContact O-N 3.28Å; R344-K355 WeakPolarHBondContact O-CE 3.34Å; R344-K355 PolarHBondContact O-NZ 2.95Å
345K89.4Confident88.4Confident131 Ų13189.7 Ų89.757%0.5745%0.447SS*.THydrogen-bonded Turntrans-89.3-8.7176.2-68.5170-175.3179.40113.5Q341 E342 E343 T354 K355Q341-K345 WeakPolarHBondContact O-CG 3.34Å; E342-K345 WeakPolarHBondContact O-CB 3.35Å; E342-K345 PolarHBondContact O-N 3.44Å; E343-K345 PolarHBondContact O-N 2.94Å; E343-K345 VanDerWaalsContact O-N 3.14Å; K345-T354 WeakPolarHBondContact O-CA 3.38Å; K345-K355 WeakPolarHBondContact O-CG 3.44Å; K345-K355 PolarHBondContact O-N 3.42Å
346K92.5Very high89.2Confident63 Ų6386 Ų8627%0.27443%0.429SS..BIsolated β-bridgetrans-83.6151.8-177.8-53.3-169.8-171.4-1800112.8E342 E343 Q351 C353 K355E342-K346 WeakPolarHBondContact O-CG 3.45Å; E343-K346 PolarHBondContact O-N 2.96Å; K346-Q351 WeakPolarHBondContact CD-O 3.49Å; K346-C353 CarbonylContact C-O 3.58Å; K346-C353 VanDerWaalsContact CA-O 3.31Å; K346-C353 WeakPolarHBondContact CA-O 3.43Å; K346-K355 WeakPolarHBondContact O-CE 3.31Å
347C94.3Very high89.8Confident0 Ų082.5 Ų82.50%041%0.407CS..  trans-57.1133.5178.2173.90000110.8I349 C350 Q351 C353 C368C347-I349 PolarHBondContact O-N 2.83Å; C347-C350 VanDerWaalsContact CB-SG 3.55Å; C347-Q351 VanDerWaalsContact O-CA 3.24Å; C347-Q351 WeakPolarHBondContact O-CA 3.42Å; C347-Q351 PolarHBondContact O-N 3.38Å; C347-C353 WeakPolarHBondContact CB-O 3.32Å; C347-C353 PolarHBondContact N-O 3.3Å; C347-C368 HydrophobicContact CB-CB 4.11Å; C347-C368 PolarHBondContact SG-N 3.24Å
348V93.8Very high90.3Very high58 Ų5879.4 Ų79.435%0.35239%0.392SS..THydrogen-bonded Turntrans-70.2-12.9-176.6-56.70000114.1C366 L367 P386 L387V348-C366 HydrophobicContact CG1-CB 4.28Å; V348-C366 HydrophobicContact CG2-CB 4.24Å; V348-C366 PolarHBondContact N-O 3.11Å; V348-L367 HydrophobicContact CG2-CD2 4.04Å; V348-P386 HydrophobicContact CG2-CB 3.86Å; V348-P386 HydrophobicContact CG2-CG 4.25Å; V348-L387 HydrophobicContact CG1-CD2 4.42Å
349I91.8Very high91Very high90 Ų9073.8 Ų73.846%0.46236%0.362SS..THydrogen-bonded Turntrans-93.4-58.8178.4-65.3-178.8000111.3C347 L367 C371 L375 P386C347-I349 PolarHBondContact O-N 2.83Å; I349-L367 HydrophobicContact CB-CD2 4.25Å; I349-L367 HydrophobicContact CD1-CD1 4.46Å; I349-L367 HydrophobicContact CD1-CD2 3.5Å; I349-L367 VanDerWaalsContact CD1-CD2 3.5Å; I349-L367 HydrophobicContact CG1-CD2 3.62Å; I349-C371 HydrophobicContact CB-CB 4.08Å; I349-C371 HydrophobicContact CD1-CB 4.31Å; I349-C371 HydrophobicContact CG2-CB 4.28Å; I349-L375 HydrophobicContact CD1-CD1 4.27Å; I349-P386 HydrophobicContact CD1-CG 4.33Å
350C93.2Very high91.5Very high39 Ų3970.4 Ų70.426%0.26435%0.35SS..THydrogen-bonded Turntrans-86.1-22.1-178.563.20000114.4C347 D352C347-C350 VanDerWaalsContact CB-SG 3.55Å; C350-D352 PolarHBondContact O-N 3.3Å
351Q91.3Very high91.8Very high139 Ų13970 Ų7065%0.6535%0.354SS*.SBendtrans57.810.2-175.2-52.7-177.329.300115.5K346 C347K346-Q351 WeakPolarHBondContact CD-O 3.49Å; C347-Q351 VanDerWaalsContact O-CA 3.24Å; C347-Q351 WeakPolarHBondContact O-CA 3.42Å; C347-Q351 PolarHBondContact O-N 3.38Å
352D90.3Very high92.2Very high126 Ų12666.9 Ų66.967%0.67434%0.343SS*.SBendtrans-106.3-60179.4-65.5-39.4000111.9C350C350-D352 PolarHBondContact O-N 3.3Å
353C92.2Very high92.5Very high53 Ų5370.7 Ų70.736%0.35835%0.352SS..SBendtrans-76.5151.9-175.5-51.30000112.1K346 C347 C368K346-C353 CarbonylContact C-O 3.58Å; K346-C353 VanDerWaalsContact CA-O 3.31Å; K346-C353 WeakPolarHBondContact CA-O 3.43Å; C347-C353 WeakPolarHBondContact CB-O 3.32Å; C347-C353 PolarHBondContact N-O 3.3Å; C353-C368 HydrophobicContact CB-CB 3.65Å
354T92.6Very high92.9Very high87 Ų8769 Ų6953%0.53434%0.344SS..BIsolated β-bridgetrans-67155.6171.850.10000112.4K345 T356 C368K345-T354 WeakPolarHBondContact O-CA 3.38Å; T354-T356 PolarHBondContact O-N 3.49Å; T354-C368 VanDerWaalsContact O-CB 3.3Å; T354-C368 WeakPolarHBondContact O-CB 3.49Å
355K94.3Very high93.3Very high46 Ų4665.8 Ų65.820%0.234%0.336CS..PPolyproline II helixtrans-72.1123.7173.8-63.8161.3177.3-179.20110.1R344 K345 K346 L365 L367R344-K355 WeakPolarHBondContact O-CE 3.34Å; R344-K355 PolarHBondContact O-NZ 2.95Å; K345-K355 WeakPolarHBondContact O-CG 3.44Å; K345-K355 PolarHBondContact O-N 3.42Å; K346-K355 WeakPolarHBondContact O-CE 3.31Å; K355-L365 HydrophobicContact CB-CD1 3.88Å; K355-L365 HydrophobicContact CB-CG 3.89Å; K355-L367 WeakPolarHBondContact CA-O 3.43Å
356T94.9Very high93.5Very high36 Ų3659.5 Ų59.522%0.22131%0.309CS..  trans-131.9-5.2-177.263.80000113.7T354 L367 R369 V398T354-T356 PolarHBondContact O-N 3.49Å; T356-L367 PolarHBondContact N-O 3.48Å; T356-R369 PolarHBondContact OG1-N 3.05Å; T356-V398 PolarHBondContact O-N 3.48Å
357V93.6Very high93.6Very high3 Ų356.5 Ų56.52%0.01830%0.296CS..EExtended strand (participates in β ladder)trans-125.4129.6-174.8-166.40000112L359 L365 L367 R369 T372 T395V357-L359 HydrophobicContact CG1-CD2 4.45Å; V357-L365 WeakPolarHBondContact O-CD1 3.45Å; V357-L367 PolarHBondContact N-O 2.96Å; V357-R369 HydrophobicContact CG2-CG 3.93Å; V357-T372 HydrophobicContact CG1-CG2 4.14Å; V357-T395 HydrophobicContact CG1-CG2 4.38Å
358V95.6Very high93.7Very high20 Ų2056.7 Ų56.712%0.12130%0.297CS..EExtended strand (participates in β ladder)trans-96.1126.4172.6176.30000109.5R363 L365 T395 M396 V398V358-R363 HydrophobicContact CG1-CB 4.43Å; V358-L365 HydrophobicContact CG2-CB 4.18Å; V358-L365 HydrophobicContact CG2-CD1 4.18Å; V358-T395 WeakPolarHBondContact O-CA 3.46Å; V358-M396 PolarHBondContact N-O 2.98Å; V358-M396 PolarHBondContact O-N 2.94Å; V358-V398 HydrophobicContact CG2-CG2 3.58Å
359L95.1Very high93.7Very high0 Ų058.5 Ų58.50%030%0.298CS..EExtended strand (participates in β ladder)trans-92.2126.6-179.8-55.4-179.6000111.3V357 C362 R363 H364 L367 T372 C385 I392 T395V357-L359 HydrophobicContact CG1-CD2 4.45Å; L359-C362 PolarHBondContact O-N 3.37Å; L359-C362 PolarHBondContact O-SG 3.39Å; L359-C362 VanDerWaalsContact O-SG 3.34Å; L359-R363 VanDerWaalsContact O-CA 3.32Å; L359-R363 WeakPolarHBondContact O-CA 3.31Å; L359-R363 PolarHBondContact O-N 2.89Å; L359-H364 PolarHBondContact N-O 2.89Å; L359-H364 VanDerWaalsContact N-O 3.13Å; L359-L367 HydrophobicContact CD1-CD1 4.16Å; L359-L367 HydrophobicContact CD2-CD1 4.42Å; L359-T372 HydrophobicContact CD2-CG2 4.38Å; L359-C385 HydrophobicContact CD1-CB 3.99Å; L359-I392 HydrophobicContact CB-CG1 4.39Å; L359-I392 HydrophobicContact CD1-CD1 3.86Å; L359-I392 HydrophobicContact CD1-CG1 4.19Å; L359-I392 HydrophobicContact CD2-CD1 4.12Å; L359-I392 HydrophobicContact CD2-CG1 4.49Å; L359-I392 HydrophobicContact CD2-CG2 4.3Å; L359-I392 HydrophobicContact CG-CD1 4.48Å; L359-T395 HydrophobicContact CD2-CG2 3.73Å
360L93.8Very high93.8Very high58 Ų5859 Ų5930%0.30430%0.301SS..EExtended strand (participates in β ladder)trans-102.4142.7178.8-64.2167.4000110.9R363 L393 N394L360-R363 HydrophobicContact CD2-CG 4.21Å; L360-L393 PolarHBondContact O-N 3Å; L360-N394 HydrophobicContact CB-CB 4.08Å; L360-N394 WeakPolarHBondContact CB-O 3.39Å; L360-N394 HydrophobicContact CD1-CB 3.97Å; L360-N394 PolarHBondContact N-O 2.95Å
361P91.5Very high93.9Very high68 Ų6857.7 Ų57.744%0.44229%0.292SS..THydrogen-bonded Turncis-85.7-9.19.233.7-36.1000115R363 Q390 L393P361-R363 VanDerWaalsContact C-N 3.27Å; P361-R363 PolarHBondContact O-N 3.45Å; P361-Q390 HydrophobicContact CG-CG 4.38Å; P361-L393 HydrophobicContact CG-CD1 4.41Å
362C95.6Very high94Very high33 Ų3351.3 Ų51.322%0.22326%0.263CS..THydrogen-bonded Turntrans-72.2-9.1-168.570.90000116.4L359 H364 C385 C388 Q390L359-C362 PolarHBondContact O-N 3.37Å; L359-C362 PolarHBondContact O-SG 3.39Å; L359-C362 VanDerWaalsContact O-SG 3.34Å; C362-H364 PolarHBondContact O-N 2.96Å; C362-H364 VanDerWaalsContact O-N 3.14Å; C362-H364 PolarHBondContact O-ND1 3.3Å; C362-H364 PolarHBondContact SG-ND1 3.33Å; C362-H364 VanDerWaalsContact SG-ND1 3.44Å; C362-C385 VanDerWaalsContact SG-SG 3.62Å; C362-C388 VanDerWaalsContact CB-SG 3.51Å; C362-Q390 HydrophobicContact CB-CB 4.21Å; C362-Q390 HydrophobicContact CB-CG 4.5Å
363R94.6Very high94.2Very high203 Ų20349.7 Ų49.777%0.76625%0.254SS*.THydrogen-bonded Turntrans57.319.9179.3-57-178.9-174.2-174.20.7115.9V358 L359 L360 P361 L365V358-R363 HydrophobicContact CG1-CB 4.43Å; L359-R363 VanDerWaalsContact O-CA 3.32Å; L359-R363 WeakPolarHBondContact O-CA 3.31Å; L359-R363 PolarHBondContact O-N 2.89Å; L360-R363 HydrophobicContact CD2-CG 4.21Å; P361-R363 VanDerWaalsContact C-N 3.27Å; P361-R363 PolarHBondContact O-N 3.45Å; R363-L365 PolarHBondContact O-N 2.91Å
364H95.7Very high94.2Very high65 Ų6552.3 Ų52.330%0.30126%0.264SS..EExtended strand (participates in β ladder)trans-77.9120178.8-74.5109.8000112.4L359 C362 C366 L387 C388L359-H364 PolarHBondContact N-O 2.89Å; L359-H364 VanDerWaalsContact N-O 3.13Å; C362-H364 PolarHBondContact O-N 2.96Å; C362-H364 VanDerWaalsContact O-N 3.14Å; C362-H364 PolarHBondContact O-ND1 3.3Å; C362-H364 PolarHBondContact SG-ND1 3.33Å; C362-H364 VanDerWaalsContact SG-ND1 3.44Å; H364-C366 PolarHBondContact O-N 3.47Å; H364-L387 HydrophobicContact CB-CD1 4.19Å; H364-C388 PolarHBondContact ND1-SG 2.97Å
365L94.3Very high94.1Very high63 Ų6348.8 Ų48.833%0.3324%0.241SC..EExtended strand (participates in β ladder)trans-86.497.1167.1179.458.4000109.2K355 V357 V358 R363K355-L365 HydrophobicContact CB-CD1 3.88Å; K355-L365 HydrophobicContact CB-CG 3.89Å; V357-L365 WeakPolarHBondContact O-CD1 3.45Å; V358-L365 HydrophobicContact CG2-CB 4.18Å; V358-L365 HydrophobicContact CG2-CD1 4.18Å; R363-L365 PolarHBondContact O-N 2.91Å
366C93.6Very high93.9Very high0 Ų049.5 Ų49.50%025%0.247CC..EExtended strand (participates in β ladder)trans-139.3-12-173.959.40000115.6V348 H364 L387V348-C366 HydrophobicContact CG1-CB 4.28Å; V348-C366 HydrophobicContact CG2-CB 4.24Å; V348-C366 PolarHBondContact N-O 3.11Å; H364-C366 PolarHBondContact O-N 3.47Å; C366-L387 HydrophobicContact CB-CD1 3.7Å; C366-L387 HydrophobicContact CB-CG 3.87Å
367L94.6Very high93.8Very high0 Ų058.4 Ų58.40%028%0.276CS..EExtended strand (participates in β ladder)trans-122.2154.2-175.7-62.6-179000112.6V348 I349 K355 T356 V357 L359 C371 T372 L375 P386V348-L367 HydrophobicContact CG2-CD2 4.04Å; I349-L367 HydrophobicContact CB-CD2 4.25Å; I349-L367 HydrophobicContact CD1-CD1 4.46Å; I349-L367 HydrophobicContact CD1-CD2 3.5Å; I349-L367 VanDerWaalsContact CD1-CD2 3.5Å; I349-L367 HydrophobicContact CG1-CD2 3.62Å; K355-L367 WeakPolarHBondContact CA-O 3.43Å; T356-L367 PolarHBondContact N-O 3.48Å; V357-L367 PolarHBondContact N-O 2.96Å; L359-L367 HydrophobicContact CD1-CD1 4.16Å; L359-L367 HydrophobicContact CD2-CD1 4.42Å; L367-C371 HydrophobicContact CD2-CB 4.28Å; L367-T372 VanDerWaalsContact CB-OG1 3.29Å; L367-T372 WeakPolarHBondContact CB-OG1 3.31Å; L367-L375 HydrophobicContact CD1-CD1 3.99Å; L367-P386 HydrophobicContact CD2-CG 4.25Å
368C95.1Very high93.5Very high3 Ų362.1 Ų62.12%0.0229%0.294CS..  trans-83.6169.815967.70000110.6C347 C353 T354 D370 T372C347-C368 HydrophobicContact CB-CB 4.11Å; C347-C368 PolarHBondContact SG-N 3.24Å; C353-C368 HydrophobicContact CB-CB 3.65Å; T354-C368 VanDerWaalsContact O-CB 3.3Å; T354-C368 WeakPolarHBondContact O-CB 3.49Å; C368-D370 PolarHBondContact O-N 3.26Å; C368-T372 WeakPolarHBondContact O-CB 3.48Å; C368-T372 PolarHBondContact O-N 3.45Å; C368-T372 VanDerWaalsContact O-N 3.08Å; C368-T372 PolarHBondContact O-OG1 3.5Å
369R94.2Very high93Very high97 Ų9763.9 Ų63.937%0.36631%0.306SS..Hα-helixtrans-56.6-47177.3-78.3-177.9169.9-167.1-3.5113.1T356 V357 T372 N373 D397 Y399T356-R369 PolarHBondContact OG1-N 3.05Å; V357-R369 HydrophobicContact CG2-CG 3.93Å; R369-T372 WeakPolarHBondContact O-CB 3.33Å; R369-T372 PolarHBondContact O-N 3.02Å; R369-T372 VanDerWaalsContact O-N 3.16Å; R369-N373 PolarHBondContact O-N 3.25Å; R369-N373 PolarHBondContact O-ND2 2.85Å; R369-D397 WeakPolarHBondContact CG-OD1 3.25Å; R369-D397 VanDerWaalsContact CZ-CG 3.48Å; R369-D397 IonicContact CZ-OD1 3.24Å; R369-D397 IonicContact CZ-OD2 3.51Å; R369-D397 VanDerWaalsContact CZ-OD2 3.24Å; R369-D397 IonicContact NE-OD1 2.66Å; R369-D397 PolarHBondContact NE-OD1 3.11Å; R369-D397 IonicContact NE-OD2 2.78Å; R369-D397 PolarHBondContact NE-OD2 3.01Å; R369-D397 IonicContact NH2-OD1 3.8Å; R369-D397 PolarHBondContact NH2-OD1 3.03Å; R369-D397 IonicContact NH2-OD2 3.44Å; R369-D397 PolarHBondContact NH2-OD2 3.34Å; R369-Y399 PolarHBondContact NH2-OH 2.95Å
370D94.9Very high92.4Very high101 Ų10169.7 Ų69.754%0.5434%0.335SS..Hα-helixtrans-66-46.1-173.3-52.9-60.2000112C368 T372 N373 I374C368-D370 PolarHBondContact O-N 3.26Å; D370-T372 VanDerWaalsContact C-N 3.29Å; D370-T372 PolarHBondContact O-N 3.46Å; D370-N373 PolarHBondContact O-N 2.95Å; D370-I374 WeakPolarHBondContact O-CG1 3.36Å; D370-I374 PolarHBondContact O-N 2.86Å
371C93.9Very high91.8Very high11 Ų1174.7 Ų74.77%0.07435%0.351CS..Hα-helixtrans-63.3-34.5173.7-65.80000112.5I349 L367 I374 L375I349-C371 HydrophobicContact CB-CB 4.08Å; I349-C371 HydrophobicContact CD1-CB 4.31Å; I349-C371 HydrophobicContact CG2-CB 4.28Å; L367-C371 HydrophobicContact CD2-CB 4.28Å; C371-I374 PolarHBondContact O-N 3.45Å; C371-L375 WeakPolarHBondContact O-CB 3.35Å; C371-L375 PolarHBondContact O-N 3Å
372T94.1Very high91.6Very high5 Ų575.9 Ų75.93%0.03135%0.351CS..Hα-helixtrans-66.5-44.2174.8-52.70000111.1V357 L359 L367 C368 R369 D370 I374 L375 L376 T395V357-T372 HydrophobicContact CG1-CG2 4.14Å; L359-T372 HydrophobicContact CD2-CG2 4.38Å; L367-T372 VanDerWaalsContact CB-OG1 3.29Å; L367-T372 WeakPolarHBondContact CB-OG1 3.31Å; C368-T372 WeakPolarHBondContact O-CB 3.48Å; C368-T372 PolarHBondContact O-N 3.45Å; C368-T372 VanDerWaalsContact O-N 3.08Å; C368-T372 PolarHBondContact O-OG1 3.5Å; R369-T372 WeakPolarHBondContact O-CB 3.33Å; R369-T372 PolarHBondContact O-N 3.02Å; R369-T372 VanDerWaalsContact O-N 3.16Å; D370-T372 VanDerWaalsContact C-N 3.29Å; D370-T372 PolarHBondContact O-N 3.46Å; T372-I374 VanDerWaalsContact C-N 3.31Å; T372-I374 PolarHBondContact O-N 3.47Å; T372-L375 PolarHBondContact O-N 3.09Å; T372-L376 HydrophobicContact CG2-CD1 4.01Å; T372-L376 HydrophobicContact CG2-CG 4.26Å; T372-L376 WeakPolarHBondContact O-CG 3.32Å; T372-L376 PolarHBondContact O-N 3.32Å; T372-T395 HydrophobicContact CG2-CG2 3.88Å
373N93.2Very high91.4Very high92 Ų9275.7 Ų75.749%0.49235%0.347SS..Hα-helixtrans-62-36.8176.5-72.9-34.2000112.5R369 D370 R377R369-N373 PolarHBondContact O-N 3.25Å; R369-N373 PolarHBondContact O-ND2 2.85Å; D370-N373 PolarHBondContact O-N 2.95Å; N373-R377 VanDerWaalsContact O-CG 3.31Å; N373-R377 WeakPolarHBondContact O-CG 3.44Å; N373-R377 PolarHBondContact O-N 2.92Å
374I92.9Very high91.3Very high108 Ų10868.8 Ų68.855%0.55433%0.325SS*.Hα-helixtrans-66.8-43.4174-66.7163.1000110.6D370 C371 T372 R377D370-I374 WeakPolarHBondContact O-CG1 3.36Å; D370-I374 PolarHBondContact O-N 2.86Å; C371-I374 PolarHBondContact O-N 3.45Å; T372-I374 VanDerWaalsContact C-N 3.31Å; T372-I374 PolarHBondContact O-N 3.47Å; I374-R377 PolarHBondContact O-N 3.46Å
375L91.4Very high91.2Very high13 Ų1365.7 Ų65.77%0.06831%0.311CS..Hα-helixtrans-65.9-42.8179.5-167.2158.9000111.7I349 L367 C371 T372 R377 Q378 Q383 P386 I392I349-L375 HydrophobicContact CD1-CD1 4.27Å; L367-L375 HydrophobicContact CD1-CD1 3.99Å; C371-L375 WeakPolarHBondContact O-CB 3.35Å; C371-L375 PolarHBondContact O-N 3Å; T372-L375 PolarHBondContact O-N 3.09Å; L375-R377 PolarHBondContact O-N 2.95Å; L375-Q378 VanDerWaalsContact O-CB 3.28Å; L375-Q378 WeakPolarHBondContact O-CB 3.38Å; L375-Q378 PolarHBondContact O-N 3.49Å; L375-Q383 HydrophobicContact CD2-CB 4.17Å; L375-Q383 HydrophobicContact CD2-CG 4.43Å; L375-P386 HydrophobicContact CD1-CG 4.38Å; L375-I392 HydrophobicContact CD1-CD1 4.4Å; L375-I392 HydrophobicContact CD2-CD1 3.51Å
376L90.2Very high91.2Very high60 Ų6065.4 Ų65.431%0.31431%0.313SS..Hα-helixtrans-70.9-13.3177.3-66.2177.9000114.2T372 Q378 Q383 I392 T395T372-L376 HydrophobicContact CG2-CD1 4.01Å; T372-L376 HydrophobicContact CG2-CG 4.26Å; T372-L376 WeakPolarHBondContact O-CG 3.32Å; T372-L376 PolarHBondContact O-N 3.32Å; L376-Q378 VanDerWaalsContact C-N 3.34Å; L376-Q383 PolarHBondContact O-NE2 3.32Å; L376-Q383 VanDerWaalsContact O-NE2 3.07Å; L376-I392 HydrophobicContact CD2-CG2 4.45Å; L376-T395 HydrophobicContact CD1-CG2 4.13Å
377R91.2Very high91.1Very high223 Ų22370 Ų7084%0.84234%0.337SS*.THydrogen-bonded Turntrans-79.9-14.5168.9-76.3173.6-178.7-164.12113.2N373 I374 L375N373-R377 VanDerWaalsContact O-CG 3.31Å; N373-R377 WeakPolarHBondContact O-CG 3.44Å; N373-R377 PolarHBondContact O-N 2.92Å; I374-R377 PolarHBondContact O-N 3.46Å; L375-R377 PolarHBondContact O-N 2.95Å
378Q88.1Confident91.1Very high81 Ų8172.5 Ų72.538%0.37935%0.354SS..SBendtrans-73.5153.9174.2-62-177.8-5.100110.1L375 L376 Q382 Q383L375-Q378 VanDerWaalsContact O-CB 3.28Å; L375-Q378 WeakPolarHBondContact O-CB 3.38Å; L375-Q378 PolarHBondContact O-N 3.49Å; L376-Q378 VanDerWaalsContact C-N 3.34Å; Q378-Q382 HydrophobicContact CB-CB 4.11Å; Q378-Q383 PolarHBondContact O-NE2 2.84Å
379P85.5Confident91Very high58 Ų5882.6 Ų82.638%0.37739%0.391SS..  trans-59.4149.6176.426.5-36.5000111.6Y381 Q382P379-Y381 HydrophobicContact CB-CD1 4.03Å; P379-Y381 HydrophobicContact CB-CE1 3.5Å; P379-Y381 VanDerWaalsContact CB-CE1 3.5Å; P379-Y381 HydrophobicContact CG-CD1 4.44Å; P379-Y381 HydrophobicContact CG-CE1 3.73Å; P379-Y381 HydrophobicContact CG-CE2 3.97Å; P379-Y381 VanDerWaalsContact CG-CZ 3.44Å; P379-Y381 WeakPolarHBondContact CG-OH 3.38Å; P379-Y381 PolarHBondContact O-N 2.86Å; P379-Q382 PolarHBondContact O-N 3.29Å
380I82.3Confident91Very high121 Ų12183 Ų8362%0.62140%0.398SS*.G310 helixtrans-51.6-36.4-165.4-58.5171000113.4Q382 Q383 M391I380-Q382 PolarHBondContact O-N 2.94Å; I380-Q383 WeakPolarHBondContact O-CB 3.37Å; I380-Q383 PolarHBondContact O-N 3.49Å; I380-Q383 VanDerWaalsContact O-N 3.13Å; I380-M391 HydrophobicContact CG2-SD 4.48Å
381Y81.9Confident90.9Very high163 Ų16381.9 Ų81.964%0.63939%0.39SS*.G310 helixtrans-67.8-16179.458.6-97.8000114.8P379 N384P379-Y381 HydrophobicContact CB-CD1 4.03Å; P379-Y381 HydrophobicContact CB-CE1 3.5Å; P379-Y381 VanDerWaalsContact CB-CE1 3.5Å; P379-Y381 HydrophobicContact CG-CD1 4.44Å; P379-Y381 HydrophobicContact CG-CE1 3.73Å; P379-Y381 HydrophobicContact CG-CE2 3.97Å; P379-Y381 VanDerWaalsContact CG-CZ 3.44Å; P379-Y381 WeakPolarHBondContact CG-OH 3.38Å; P379-Y381 PolarHBondContact O-N 2.86Å; Y381-N384 PolarHBondContact O-ND2 3.05Å; Y381-N384 VanDerWaalsContact O-ND2 3.08Å
382Q85.7Confident90.9Very high93 Ų9381.8 Ų81.844%0.43539%0.389SS..G310 helixtrans-96.6-6.9174.3-78168.5-6.900113.2Q378 P379 I380 N384Q378-Q382 HydrophobicContact CB-CB 4.11Å; P379-Q382 PolarHBondContact O-N 3.29Å; I380-Q382 PolarHBondContact O-N 2.94Å; Q382-N384 PolarHBondContact O-N 3.42Å
383Q91.6Very high90.7Very high30 Ų3087.3 Ų87.314%0.1442%0.417CS..  trans-78.564-177-60.3-174.65.500112.3L375 L376 Q378 I380 I392L375-Q383 HydrophobicContact CD2-CB 4.17Å; L375-Q383 HydrophobicContact CD2-CG 4.43Å; L376-Q383 PolarHBondContact O-NE2 3.32Å; L376-Q383 VanDerWaalsContact O-NE2 3.07Å; Q378-Q383 PolarHBondContact O-NE2 2.84Å; I380-Q383 WeakPolarHBondContact O-CB 3.37Å; I380-Q383 PolarHBondContact O-N 3.49Å; I380-Q383 VanDerWaalsContact O-N 3.13Å; Q383-I392 WeakPolarHBondContact O-CG1 3.47Å; Q383-I392 PolarHBondContact O-N 2.98Å
384N93.4Very high90.6Very high57 Ų5788.3 Ų88.331%0.30542%0.423SS..BIsolated β-bridgetrans-111.3143.1-175.6-60.6-53000111.5Y381 Q382 P386 M391Y381-N384 PolarHBondContact O-ND2 3.05Å; Y381-N384 VanDerWaalsContact O-ND2 3.08Å; Q382-N384 PolarHBondContact O-N 3.42Å; N384-P386 WeakPolarHBondContact O-CD 3.37Å; N384-M391 WeakPolarHBondContact OD1-CA 3.45Å
385C94.1Very high90.6Very high1 Ų185.9 Ų85.91%0.00741%0.413CS..  trans-63124.9177.2173.80000111.1L359 C362 L387 C388 R389 Q390 I392L359-C385 HydrophobicContact CD1-CB 3.99Å; C362-C385 VanDerWaalsContact SG-SG 3.62Å; C385-L387 PolarHBondContact O-N 3.14Å; C385-L387 VanDerWaalsContact O-N 3.12Å; C385-C388 PolarHBondContact O-N 2.94Å; C385-R389 WeakPolarHBondContact O-CA 3.44Å; C385-R389 PolarHBondContact O-N 3.4Å; C385-Q390 WeakPolarHBondContact CB-O 3.23Å; C385-Q390 PolarHBondContact N-O 2.95Å; C385-I392 HydrophobicContact CB-CG1 4.5Å
386P92.9Very high90.7Very high56 Ų5690.3 Ų90.336%0.36444%0.435SS..THydrogen-bonded Turntrans-59.6-26.3-177.8-27.835.9000115.3V348 I349 L367 L375 N384V348-P386 HydrophobicContact CG2-CB 3.86Å; V348-P386 HydrophobicContact CG2-CG 4.25Å; I349-P386 HydrophobicContact CD1-CG 4.33Å; L367-P386 HydrophobicContact CD2-CG 4.25Å; L375-P386 HydrophobicContact CD1-CG 4.38Å; N384-P386 WeakPolarHBondContact O-CD 3.37Å
387L92.6Very high90.8Very high97 Ų9790.7 Ų90.751%0.50844%0.437SS..THydrogen-bonded Turntrans-84-45.4-178.7-64.7-173.8000113.5V348 H364 C366 C385V348-L387 HydrophobicContact CG1-CD2 4.42Å; H364-L387 HydrophobicContact CB-CD1 4.19Å; C366-L387 HydrophobicContact CB-CD1 3.7Å; C366-L387 HydrophobicContact CB-CG 3.87Å; C385-L387 PolarHBondContact O-N 3.14Å; C385-L387 VanDerWaalsContact O-N 3.12Å
388C94.6Very high90.7Very high53 Ų5382 Ų8236%0.35841%0.408SS..THydrogen-bonded Turntrans-117.9-1.1-171.566.10000114.5C362 H364 C385 Q390C362-C388 VanDerWaalsContact CB-SG 3.51Å; H364-C388 PolarHBondContact ND1-SG 2.97Å; C385-C388 PolarHBondContact O-N 2.94Å; C388-Q390 PolarHBondContact O-N 2.91Å
389R92.8Very high90.3Very high214 Ų21487.2 Ų87.281%0.80843%0.426SS*.  trans59.86.3-178.7-52.4-177.6-177.9-166.6-0.4115.8C385C385-R389 WeakPolarHBondContact O-CA 3.44Å; C385-R389 PolarHBondContact O-N 3.4Å
390Q93.1Very high89.3Confident106 Ų10693.9 Ų93.950%0.49546%0.458SS..PPolyproline II helixtrans-65.4136.6172.5-169.163.428.800110.9P361 C362 C385 C388P361-Q390 HydrophobicContact CG-CG 4.38Å; C362-Q390 HydrophobicContact CB-CB 4.21Å; C362-Q390 HydrophobicContact CB-CG 4.5Å; C385-Q390 WeakPolarHBondContact CB-O 3.23Å; C385-Q390 PolarHBondContact N-O 2.95Å; C388-Q390 PolarHBondContact O-N 2.91Å
391M92.7Very high89.6Confident77 Ų7792.6 Ų92.638%0.37945%0.449SS..BIsolated β-bridgetrans-57.9136.1173.3-176176.9-70.900111.3I380 N384I380-M391 HydrophobicContact CG2-SD 4.48Å; N384-M391 WeakPolarHBondContact OD1-CA 3.45Å
392I94.4Very high90Very high9 Ų988.8 Ų88.85%0.04644%0.439CS..PPolyproline II helixtrans-86120.6179.7-57.9162.8000108L359 L375 L376 Q383 C385 T395L359-I392 HydrophobicContact CB-CG1 4.39Å; L359-I392 HydrophobicContact CD1-CD1 3.86Å; L359-I392 HydrophobicContact CD1-CG1 4.19Å; L359-I392 HydrophobicContact CD2-CD1 4.12Å; L359-I392 HydrophobicContact CD2-CG1 4.49Å; L359-I392 HydrophobicContact CD2-CG2 4.3Å; L359-I392 HydrophobicContact CG-CD1 4.48Å; L375-I392 HydrophobicContact CD1-CD1 4.4Å; L375-I392 HydrophobicContact CD2-CD1 3.51Å; L376-I392 HydrophobicContact CD2-CG2 4.45Å; Q383-I392 WeakPolarHBondContact O-CG1 3.47Å; Q383-I392 PolarHBondContact O-N 2.98Å; C385-I392 HydrophobicContact CB-CG1 4.5Å; I392-T395 HydrophobicContact CG2-CG2 3.8Å
393L90.7Very high90.3Very high122 Ų12288.6 Ų88.664%0.63944%0.44SS*.  trans-99.6-31.4177.6-61.5179.6000112.4L360 P361L360-L393 PolarHBondContact O-N 3Å; P361-L393 HydrophobicContact CG-CD1 4.41Å
394N89.8Confident90.2Very high113 Ų11392.1 Ų92.160%0.60446%0.457SS*.EExtended strand (participates in β ladder)trans-154.5162.2179.2-89.6-42.5000109.7L360L360-N394 HydrophobicContact CB-CB 4.08Å; L360-N394 WeakPolarHBondContact CB-O 3.39Å; L360-N394 HydrophobicContact CD1-CB 3.97Å; L360-N394 PolarHBondContact N-O 2.95Å
395T93.9Very high90Very high57 Ų5794.3 Ų94.335%0.3547%0.467SS..EExtended strand (participates in β ladder)trans-132139.7177.256.10000110.5V357 V358 L359 T372 L376 I392V357-T395 HydrophobicContact CG1-CG2 4.38Å; V358-T395 WeakPolarHBondContact O-CA 3.46Å; L359-T395 HydrophobicContact CD2-CG2 3.73Å; T372-T395 HydrophobicContact CG2-CG2 3.88Å; L376-T395 HydrophobicContact CD1-CG2 4.13Å; I392-T395 HydrophobicContact CG2-CG2 3.8Å
396M93.1Very high89.7Confident106 Ų106100.5 Ų100.552%0.52250%0.498SS..EExtended strand (participates in β ladder)trans-123.9127.2177.7-170.3-176.781.600110V358 V398V358-M396 PolarHBondContact N-O 2.98Å; V358-M396 PolarHBondContact O-N 2.94Å; M396-V398 HydrophobicContact CE-CG2 4.14Å
397D92.3Very high89.5Confident68 Ų68103.6 Ų103.636%0.36451%0.507SS..EExtended strand (participates in β ladder)trans-75.3140.2174-75.9-57000111.8R369R369-D397 WeakPolarHBondContact CG-OD1 3.25Å; R369-D397 VanDerWaalsContact CZ-CG 3.48Å; R369-D397 IonicContact CZ-OD1 3.24Å; R369-D397 IonicContact CZ-OD2 3.51Å; R369-D397 VanDerWaalsContact CZ-OD2 3.24Å; R369-D397 IonicContact NE-OD1 2.66Å; R369-D397 PolarHBondContact NE-OD1 3.11Å; R369-D397 IonicContact NE-OD2 2.78Å; R369-D397 PolarHBondContact NE-OD2 3.01Å; R369-D397 IonicContact NH2-OD1 3.8Å; R369-D397 PolarHBondContact NH2-OD1 3.03Å; R369-D397 IonicContact NH2-OD2 3.44Å; R369-D397 PolarHBondContact NH2-OD2 3.34Å
398V88.8Confident89.3Confident39 Ų39104.2 Ų104.224%0.23651%0.507CS..  trans-122.4129173.1-178.70000108.3T356 V358 M396 L400T356-V398 PolarHBondContact O-N 3.48Å; V358-V398 HydrophobicContact CG2-CG2 3.58Å; M396-V398 HydrophobicContact CE-CG2 4.14Å; V398-L400 HydrophobicContact CG1-CD2 4.27Å; V398-L400 HydrophobicContact CG1-CG 4.18Å
399Y80.3Confident88.8Confident191 Ų191108.4 Ų108.475%0.74952%0.52SS*.  trans-98.1124.7171.3-53.5-87000107.4R369R369-Y399 PolarHBondContact NH2-OH 2.95Å
400L64.3Low88.5Confident199 Ų19998.8 Ų98.8100%1.04249%0.493SS*.  trans-113.80-177.6-73.9171.3000110.5V398V398-L400 HydrophobicContact CG1-CD2 4.27Å; V398-L400 HydrophobicContact CG1-CG 4.18Å

Retrieved 400 of 400 residues in 215.2 ms (Link to these results)