A0A087XNI0_POEFO Loading...

Coatomer subunit beta

The coatomer is a cytosolic protein complex that binds to dilysine motifs and reversibly associates with Golgi non-clathrin-coated vesicles, which further mediate biosynthetic protein transport from the ER, via the Golgi up to the trans Golgi network. Coatomer complex is required for budding from Golgi membranes, and is essential for the retrograde Golgi-to-ER transport of dilysine-tagged proteins.

AlphaFold DB , UniProt , Accession A0A087XNI0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 953 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
1M30.8Very low41.2Very low245 Ų245128.5 Ų128.5100%1.20772%0.717SS**  099.80-76.6-174.7-102.600107
2T24Very low43.3Very low142 Ų142123.3 Ų123.387%0.87169%0.685SS**  trans-62.6140.7172.937.80000108.7A4T2-A4 VanDerWaalsContact C-N 3.35Å; T2-A4 PolarHBondContact O-N 3.31Å
3A30.9Very low44.6Very low89 Ų89125.2 Ų125.274%0.73669%0.694SS**  trans-49.791.1-175.200000112.2E5A3-E5 PolarHBondContact O-N 2.7Å
4A32.6Very low45.8Very low89 Ų89121.6 Ų121.674%0.73668%0.677SS**  trans-59.7122.4167.500000106.8T2 N6T2-A4 VanDerWaalsContact C-N 3.35Å; T2-A4 PolarHBondContact O-N 3.31Å; A4-N6 PolarHBondContact O-N 3.35Å
5E40.8Very low46.8Very low166 Ų166118 Ų11878%0.77667%0.669SS**  trans-49.7130.6174.8-66.2174.3151.200108.9A3 V7A3-E5 PolarHBondContact O-N 2.7Å; E5-V7 PolarHBondContact O-N 3.27Å
6N44.3Very low47.3Very low116 Ų116118.6 Ų118.662%0.6268%0.682SS**  trans-54.3112176.7-78.8-21.6000108.2A4 C8A4-N6 PolarHBondContact O-N 3.35Å; N6-C8 PolarHBondContact O-N 3.35Å; N6-C8 VanDerWaalsContact O-N 3.08Å
7V44.2Very low47.5Very low95 Ų95121.6 Ų121.658%0.57670%0.696SS**  trans-57.5115.3-178.9-168.90000108.5E5 Y9E5-V7 PolarHBondContact O-N 3.27Å; V7-Y9 HydrophobicContact CB-CE1 4.05Å; V7-Y9 HydrophobicContact CB-CE2 3.88Å; V7-Y9 HydrophobicContact CG1-CD1 4.08Å; V7-Y9 HydrophobicContact CG1-CE1 3.63Å; V7-Y9 HydrophobicContact CG1-CE2 4.29Å; V7-Y9 WeakPolarHBondContact O-CD2 3.13Å; V7-Y9 WeakPolarHBondContact O-CE2 3.32Å; V7-Y9 PolarHBondContact O-N 3.06Å
8C46.2Very low48.1Very low51 Ų51118.1 Ų118.135%0.34568%0.68SS.*  trans-79.1106.1173.81740000108.1N6 L50N6-C8 PolarHBondContact O-N 3.35Å; N6-C8 VanDerWaalsContact O-N 3.08Å; C8-L50 PolarHBondContact SG-O 3.38Å
9Y46.9Very low48.9Very low196 Ų196121.4 Ų121.477%0.76969%0.689SS**  trans-86.2-6.8-179-59-80.4000113.2V7V7-Y9 HydrophobicContact CB-CE1 4.05Å; V7-Y9 HydrophobicContact CB-CE2 3.88Å; V7-Y9 HydrophobicContact CG1-CD1 4.08Å; V7-Y9 HydrophobicContact CG1-CE1 3.63Å; V7-Y9 HydrophobicContact CG1-CE2 4.29Å; V7-Y9 WeakPolarHBondContact O-CD2 3.13Å; V7-Y9 WeakPolarHBondContact O-CE2 3.32Å; V7-Y9 PolarHBondContact O-N 3.06Å
10T52Low49.7Very low89 Ų89120.7 Ų120.755%0.54669%0.689SS.*  trans-152108.9-176.2-53.60000110.6I12T10-I12 HydrophobicContact CG2-CG1 4.32Å
11L60.2Low50.8Low135 Ų135116.6 Ų116.671%0.70767%0.667SS**  trans-84.6111.1169-72.6167.2000108.9N13L11-N13 PolarHBondContact O-N 2.7Å
12I66.9Low53.1Low66 Ų66108 Ų10834%0.33863%0.631SS.*  trans-81.6110.8175.4-60.9175.4000107.2T10 V14 I47 L50 N51T10-I12 HydrophobicContact CG2-CG1 4.32Å; I12-V14 PolarHBondContact O-N 2.76Å; I12-I47 HydrophobicContact CB-CG2 4.2Å; I12-I47 HydrophobicContact CD1-CG1 4.21Å; I12-I47 HydrophobicContact CD1-CG2 4.41Å; I12-I47 HydrophobicContact CG2-CG2 4.23Å; I12-L50 HydrophobicContact CD1-CB 4.49Å; I12-L50 HydrophobicContact CD1-CD1 3.84Å; I12-N51 PolarHBondContact N-OD1 3.38Å
13N60.2Low55.9Low149 Ų149105.2 Ų105.280%0.79761%0.608SS**  trans-60.9110.2177.2-172.219.8000110L11L11-N13 PolarHBondContact O-N 2.7Å
14V61.8Low58.4Low75 Ų75106 Ų10646%0.45560%0.604SS.*  trans-86.3127.8172.2-179.40000106.9I12 S16 S18 I47I12-V14 PolarHBondContact O-N 2.76Å; V14-S16 PolarHBondContact O-N 3.45Å; V14-S18 WeakPolarHBondContact CG1-OG 3.2Å; V14-I47 HydrophobicContact CG2-CG2 4.3Å
15A60.2Low60.8Low67 Ų67103.9 Ų103.955%0.55458%0.583SS**  trans-54.3133.1-179.400000110.6D17 S18A15-D17 PolarHBondContact O-N 3.07Å; A15-S18 PolarHBondContact O-N 3.3Å; A15-S18 PolarHBondContact O-OG 3.23Å
16S54.5Low63Low127 Ų12796 Ų9689%0.88855%0.547SS*.THydrogen-bonded Turntrans-56.4-16.8-175.4-370000114.4V14V14-S16 PolarHBondContact O-N 3.45Å
17D50.7Low65Low170 Ų17094.8 Ų94.891%0.90954%0.536SS*.THydrogen-bonded Turntrans-881.5178.5-73.7-21.7000114.3A15A15-D17 PolarHBondContact O-N 3.07Å
18S58.8Low67Low59 Ų5993.3 Ų93.341%0.41353%0.527SS..SBendtrans-110.7116.5179.257.70000112.3V14 A15V14-S18 WeakPolarHBondContact CG1-OG 3.2Å; A15-S18 PolarHBondContact O-N 3.3Å; A15-S18 PolarHBondContact O-OG 3.23Å
19E62.3Low69Low181 Ų18194 Ų9485%0.84653%0.528SS*.PPolyproline II helixtrans-60.7135172-71.5-17716200110.4
20P65.5Low71Confident107 Ų10784.7 Ų84.770%0.69549%0.491SS*.PPolyproline II helixtrans-62.5126.4176.124.3-31.5000109.5S22P20-S22 PolarHBondContact O-N 3.14Å
21P73.2Confident72.7Confident34 Ų3483.4 Ų83.422%0.22148%0.479CS..PPolyproline II helixtrans-65.9132.1-178.428.6-36000110.6L26 K44 M48P21-L26 HydrophobicContact CB-CD1 4.27Å; P21-L26 HydrophobicContact CB-CD2 4.03Å; P21-L26 HydrophobicContact CB-CG 4.06Å; P21-L26 HydrophobicContact CG-CD1 4.14Å; P21-L26 HydrophobicContact CG-CD2 4.25Å; P21-L26 HydrophobicContact CG-CG 4.4Å; P21-K44 HydrophobicContact CB-CD 4.39Å; P21-K44 HydrophobicContact CG-CB 4.3Å; P21-K44 HydrophobicContact CG-CD 4.08Å; P21-K44 HydrophobicContact CG-CG 4.48Å; P21-M48 HydrophobicContact CG-SD 3.85Å
22S80Confident73.9Confident66 Ų6685.3 Ų85.346%0.46248%0.481SS..PPolyproline II helixtrans-67.1147.3176.870.90000112.5P20 V24 S25 L26P20-S22 PolarHBondContact O-N 3.14Å; S22-V24 PolarHBondContact O-N 3.19Å; S22-V24 VanDerWaalsContact O-N 3.16Å; S22-S25 PolarHBondContact N-OG 3.12Å; S22-S25 PolarHBondContact O-N 3.44Å; S22-S25 VanDerWaalsContact O-N 3.12Å; S22-S25 PolarHBondContact O-OG 2.89Å; S22-S25 WeakPolarHBondContact OG-CB 3.12Å; S22-S25 PolarHBondContact OG-N 3.46Å; S22-S25 PolarHBondContact OG-OG 2.92Å; S22-L26 WeakPolarHBondContact O-CG 3.43Å; S22-L26 PolarHBondContact O-N 3.44Å
23E81.4Confident74.6Confident82 Ų8283.1 Ų83.138%0.38348%0.475SS..Hα-helixtrans-56.7-33.8176.4-172179.7-178.800112K27 L55 L58E23-K27 WeakPolarHBondContact O-CB 3.37Å; E23-K27 PolarHBondContact O-N 3.04Å; E23-L55 HydrophobicContact CB-CD2 4.41Å; E23-L55 HydrophobicContact CG-CD2 4.18Å; E23-L58 HydrophobicContact CG-CD1 4.24Å; E23-L58 HydrophobicContact CG-CD2 4.08Å; E23-L58 HydrophobicContact CG-CG 4Å
24V83.5Confident76Confident107 Ų10783.5 Ų83.565%0.64847%0.472SS*.Hα-helixtrans-69.4-40.5179.1-178.40000112S22 T28S22-V24 PolarHBondContact O-N 3.19Å; S22-V24 VanDerWaalsContact O-N 3.16Å; V24-T28 PolarHBondContact O-N 3.09Å; V24-T28 PolarHBondContact O-OG1 3.39Å
25S84.1Confident77.3Confident44 Ų4484.2 Ų84.231%0.30847%0.472SS..Hα-helixtrans-68.5-43.6176590000110.8S22 K27 T28 D29S22-S25 PolarHBondContact N-OG 3.12Å; S22-S25 PolarHBondContact O-N 3.44Å; S22-S25 VanDerWaalsContact O-N 3.12Å; S22-S25 PolarHBondContact O-OG 2.89Å; S22-S25 WeakPolarHBondContact OG-CB 3.12Å; S22-S25 PolarHBondContact OG-N 3.46Å; S22-S25 PolarHBondContact OG-OG 2.92Å; S25-K27 VanDerWaalsContact C-N 3.34Å; S25-K27 PolarHBondContact O-N 2.94Å; S25-T28 PolarHBondContact O-N 2.64Å; S25-T28 VanDerWaalsContact O-N 3.15Å; S25-D29 WeakPolarHBondContact O-CB 3.25Å; S25-D29 VanDerWaalsContact O-CG 3.26Å; S25-D29 PolarHBondContact O-N 3.09Å
26L85.3Confident78.6Confident1 Ų189.2 Ų89.21%0.00548%0.481CS..Hα-helixtrans-59.3-43.3174.6-67.7172.8000112.1P21 S22 T28 D29 L30 A41 K44 V45 M48 L58P21-L26 HydrophobicContact CB-CD1 4.27Å; P21-L26 HydrophobicContact CB-CD2 4.03Å; P21-L26 HydrophobicContact CB-CG 4.06Å; P21-L26 HydrophobicContact CG-CD1 4.14Å; P21-L26 HydrophobicContact CG-CD2 4.25Å; P21-L26 HydrophobicContact CG-CG 4.4Å; S22-L26 WeakPolarHBondContact O-CG 3.43Å; S22-L26 PolarHBondContact O-N 3.44Å; L26-T28 VanDerWaalsContact C-N 3.34Å; L26-T28 PolarHBondContact O-N 3.05Å; L26-D29 PolarHBondContact O-N 2.66Å; L26-L30 WeakPolarHBondContact O-CB 3.37Å; L26-L30 WeakPolarHBondContact O-CD1 3.4Å; L26-L30 WeakPolarHBondContact O-CG 3.49Å; L26-L30 PolarHBondContact O-N 3.26Å; L26-A41 HydrophobicContact CD2-CB 4.19Å; L26-K44 HydrophobicContact CD2-CB 4.04Å; L26-K44 HydrophobicContact CD2-CD 4.24Å; L26-V45 HydrophobicContact CD1-CG2 4.03Å; L26-M48 HydrophobicContact CD1-CE 4.27Å; L26-M48 HydrophobicContact CD1-SD 3.66Å; L26-L58 HydrophobicContact CB-CD1 4.25Å; L26-L58 HydrophobicContact CD1-CD1 4.43Å
27K86.2Confident80.3Confident89 Ų8985 Ų8539%0.38745%0.454SS..Hα-helixtrans-59.8-45.4175.5-171.3175.1-179.91750111.5E23 S25 L30 E31 L58 T61E23-K27 WeakPolarHBondContact O-CB 3.37Å; E23-K27 PolarHBondContact O-N 3.04Å; S25-K27 VanDerWaalsContact C-N 3.34Å; S25-K27 PolarHBondContact O-N 2.94Å; K27-L30 PolarHBondContact O-N 2.74Å; K27-E31 WeakPolarHBondContact CE-OE1 3.39Å; K27-E31 HydrophobicContact CG-CG 4.49Å; K27-E31 WeakPolarHBondContact O-CB 2.84Å; K27-E31 VanDerWaalsContact O-CG 3.29Å; K27-E31 WeakPolarHBondContact O-CG 3.48Å; K27-E31 PolarHBondContact O-N 2.86Å; K27-L58 HydrophobicContact CB-CD2 3.74Å; K27-L58 HydrophobicContact CG-CD2 4.27Å; K27-T61 HydrophobicContact CG-CG2 4.07Å
28T86.9Confident82.2Confident65 Ų6577.9 Ų77.940%0.39942%0.415SS..Hα-helixtrans-64-42.7179.6-54.60000111.6V24 S25 L26 E31 K32V24-T28 PolarHBondContact O-N 3.09Å; V24-T28 PolarHBondContact O-OG1 3.39Å; S25-T28 PolarHBondContact O-N 2.64Å; S25-T28 VanDerWaalsContact O-N 3.15Å; L26-T28 VanDerWaalsContact C-N 3.34Å; L26-T28 PolarHBondContact O-N 3.05Å; T28-E31 PolarHBondContact O-N 3.42Å; T28-K32 PolarHBondContact O-N 3.29Å
29D88.1Confident83.7Confident66 Ų6675.7 Ų75.735%0.35340%0.399SS..Hα-helixtrans-65.2-38178.2-69.2-17.7000111.8S25 L26 G33 K38 A41S25-D29 WeakPolarHBondContact O-CB 3.25Å; S25-D29 VanDerWaalsContact O-CG 3.26Å; S25-D29 PolarHBondContact O-N 3.09Å; L26-D29 PolarHBondContact O-N 2.66Å; D29-G33 WeakPolarHBondContact O-CA 3.38Å; D29-G33 PolarHBondContact O-N 2.94Å; D29-K38 WeakPolarHBondContact O-CG 3.49Å; D29-A41 HydrophobicContact CB-CB 3.92Å
30L88.4Confident84.9Confident0 Ų071.6 Ų71.60%038%0.38CS..Hα-helixtrans-73.6-34.2177.6-67168.2000112.9L26 K27 K38 A41 L42 V45 L58 T61 I62 V66L26-L30 WeakPolarHBondContact O-CB 3.37Å; L26-L30 WeakPolarHBondContact O-CD1 3.4Å; L26-L30 WeakPolarHBondContact O-CG 3.49Å; L26-L30 PolarHBondContact O-N 3.26Å; K27-L30 PolarHBondContact O-N 2.74Å; L30-K38 WeakPolarHBondContact O-CE 3.36Å; L30-K38 PolarHBondContact O-NZ 2.92Å; L30-A41 HydrophobicContact CD2-CB 3.72Å; L30-A41 HydrophobicContact CG-CB 3.93Å; L30-L42 HydrophobicContact CD2-CB 4.45Å; L30-V45 HydrophobicContact CD1-CG2 4.37Å; L30-L58 HydrophobicContact CD1-CD2 4.48Å; L30-T61 HydrophobicContact CB-CG2 4.18Å; L30-I62 HydrophobicContact CD1-CD1 4.37Å; L30-I62 HydrophobicContact CD1-CG1 3.96Å; L30-V66 HydrophobicContact CB-CG2 4.3Å; L30-V66 HydrophobicContact CD2-CG2 3.87Å
31E88.6Confident86.1Confident62 Ų6266.6 Ų66.629%0.2935%0.348SS..Hα-helixtrans-75.3-54.9177.7-71.7-177179.200111.8K27 T28 K38 T61 F65K27-E31 WeakPolarHBondContact CE-OE1 3.39Å; K27-E31 HydrophobicContact CG-CG 4.49Å; K27-E31 WeakPolarHBondContact O-CB 2.84Å; K27-E31 VanDerWaalsContact O-CG 3.29Å; K27-E31 WeakPolarHBondContact O-CG 3.48Å; K27-E31 PolarHBondContact O-N 2.86Å; T28-E31 PolarHBondContact O-N 3.42Å; E31-K38 PolarHBondContact O-NZ 3.15Å; E31-T61 HydrophobicContact CG-CG2 3.53Å; E31-F65 HydrophobicContact CB-CD2 4.42Å; E31-F65 HydrophobicContact CG-CD2 3.73Å; E31-F65 HydrophobicContact CG-CE2 3.72Å; E31-F65 HydrophobicContact CG-CG 4.42Å; E31-F65 HydrophobicContact CG-CZ 4.42Å
32K84.8Confident86.9Confident175 Ų17565 Ų6576%0.76134%0.337SS*.Hα-helixtrans-111.3-12-166.4-62.8-179.6-176.7174.20114.7T28T28-K32 PolarHBondContact O-N 3.29Å
33G82.6Confident87.3Confident19 Ų1965.5 Ų65.520%0.19633%0.331CS..SBendtrans-69.2157.3-178.200000113.7D29 K38D29-G33 WeakPolarHBondContact O-CA 3.38Å; D29-G33 PolarHBondContact O-N 2.94Å; G33-K38 WeakPolarHBondContact O-CE 3.27Å
34E88.9Confident87.6Confident158 Ų15866.1 Ų66.174%0.73833%0.333SS*.  trans-68.2167.2170.1-64.3-172169.500111.6K36 A37 K38E34-K36 PolarHBondContact O-N 3.02Å; E34-K36 VanDerWaalsContact O-N 3.08Å; E34-A37 WeakPolarHBondContact O-CA 3.49Å; E34-A37 WeakPolarHBondContact O-CB 3.37Å; E34-A37 PolarHBondContact O-N 3.17Å; E34-K38 WeakPolarHBondContact O-CG 3.48Å; E34-K38 PolarHBondContact O-N 2.68Å
35I88.8Confident87.9Confident89 Ų8961 Ų6146%0.45630%0.302SS..Hα-helixtrans-49.9-41.2-178.4-64174.9000112.1T39 D71 I74I35-T39 WeakPolarHBondContact O-CB 3.44Å; I35-T39 PolarHBondContact O-N 3.2Å; I35-T39 PolarHBondContact O-OG1 2.97Å; I35-D71 HydrophobicContact CG2-CB 4.05Å; I35-I74 HydrophobicContact CG2-CD1 3.88Å
36K88.9Confident88Confident173 Ų17359.5 Ų59.575%0.75229%0.29SS*.Hα-helixtrans-65.3-45.6177.1-68.6-177.7178.9177.90112.4E34 T39 E40E34-K36 PolarHBondContact O-N 3.02Å; E34-K36 VanDerWaalsContact O-N 3.08Å; K36-T39 WeakPolarHBondContact O-CB 3.45Å; K36-T39 PolarHBondContact O-N 3.38Å; K36-E40 PolarHBondContact O-N 3.26Å
37A88.9Confident88Confident38 Ų3862.1 Ų62.131%0.31430%0.303SS..Hα-helixtrans-63.7-42.8177.200000111.4E34 T39 E40 A41E34-A37 WeakPolarHBondContact O-CA 3.49Å; E34-A37 WeakPolarHBondContact O-CB 3.37Å; E34-A37 PolarHBondContact O-N 3.17Å; A37-T39 VanDerWaalsContact C-N 3.31Å; A37-T39 PolarHBondContact O-N 3.04Å; A37-E40 PolarHBondContact O-N 2.71Å; A37-A41 VanDerWaalsContact O-CB 3.29Å; A37-A41 WeakPolarHBondContact O-CB 3.38Å; A37-A41 PolarHBondContact O-N 3.26Å
38K90.4Very high87.9Confident21 Ų2158.8 Ų58.89%0.09129%0.289CS..Hα-helixtrans-61.8-37.6174.3-66-170.5-178.4-147.30112.6D29 L30 E31 G33 E34 L42 F65 L69 I74D29-K38 WeakPolarHBondContact O-CG 3.49Å; L30-K38 WeakPolarHBondContact O-CE 3.36Å; L30-K38 PolarHBondContact O-NZ 2.92Å; E31-K38 PolarHBondContact O-NZ 3.15Å; G33-K38 WeakPolarHBondContact O-CE 3.27Å; E34-K38 WeakPolarHBondContact O-CG 3.48Å; E34-K38 PolarHBondContact O-N 2.68Å; K38-L42 VanDerWaalsContact O-CB 3.28Å; K38-L42 WeakPolarHBondContact O-CB 3.27Å; K38-L42 PolarHBondContact O-N 2.89Å; K38-F65 PolarHBondContact NZ-O 3.44Å; K38-F65 VanDerWaalsContact NZ-O 3.13Å; K38-L69 HydrophobicContact CD-CD1 3.74Å; K38-I74 HydrophobicContact CB-CD1 4.32Å
39T90.1Very high87.7Confident13 Ų1357 Ų578%0.0828%0.277CS..Hα-helixtrans-65-48177.4-600000111.1I35 K36 A37 L42 K43 T73 I74 L77I35-T39 WeakPolarHBondContact O-CB 3.44Å; I35-T39 PolarHBondContact O-N 3.2Å; I35-T39 PolarHBondContact O-OG1 2.97Å; K36-T39 WeakPolarHBondContact O-CB 3.45Å; K36-T39 PolarHBondContact O-N 3.38Å; A37-T39 VanDerWaalsContact C-N 3.31Å; A37-T39 PolarHBondContact O-N 3.04Å; T39-L42 PolarHBondContact O-N 3.03Å; T39-K43 WeakPolarHBondContact O-CG 3.44Å; T39-K43 PolarHBondContact O-N 3.36Å; T39-T73 HydrophobicContact CG2-CG2 3.8Å; T39-I74 WeakPolarHBondContact OG1-CG1 3.21Å; T39-L77 HydrophobicContact CG2-CD1 3.69Å
40E89.3Confident87.3Confident94 Ų9456.7 Ų56.744%0.43928%0.275SS..Hα-helixtrans-67.6-39.6177.9-69.1-54.9129.200112.2K36 A37 K43 K44K36-E40 PolarHBondContact O-N 3.26Å; A37-E40 PolarHBondContact O-N 2.71Å; E40-K43 PolarHBondContact O-N 2.8Å; E40-K43 IonicContact OE1-NZ 2.99Å; E40-K43 PolarHBondContact OE1-NZ 2.95Å; E40-K44 WeakPolarHBondContact O-CG 3.46Å; E40-K44 PolarHBondContact O-N 3.38Å
41A89.1Confident86.8Confident2 Ų258.8 Ų58.82%0.01729%0.286CS..Hα-helixtrans-61.6-43.817400000111.6L26 D29 L30 A37 K43 K44 V45L26-A41 HydrophobicContact CD2-CB 4.19Å; D29-A41 HydrophobicContact CB-CB 3.92Å; L30-A41 HydrophobicContact CD2-CB 3.72Å; L30-A41 HydrophobicContact CG-CB 3.93Å; A37-A41 VanDerWaalsContact O-CB 3.29Å; A37-A41 WeakPolarHBondContact O-CB 3.38Å; A37-A41 PolarHBondContact O-N 3.26Å; A41-K43 PolarHBondContact O-N 3.39Å; A41-K44 PolarHBondContact O-N 3.22Å; A41-V45 WeakPolarHBondContact O-CG2 3.29Å; A41-V45 PolarHBondContact O-N 3.14Å
42L89.9Confident86Confident0 Ų058 Ų580%030%0.295CS..Hα-helixtrans-65.4-38.1177.5-175.561.2000112.3L30 K38 T39 V45 I46 I62 V66 I74 L77 L78 F81L30-L42 HydrophobicContact CD2-CB 4.45Å; K38-L42 VanDerWaalsContact O-CB 3.28Å; K38-L42 WeakPolarHBondContact O-CB 3.27Å; K38-L42 PolarHBondContact O-N 2.89Å; T39-L42 PolarHBondContact O-N 3.03Å; L42-V45 PolarHBondContact O-N 2.97Å; L42-I46 HydrophobicContact CG-CD1 4.22Å; L42-I46 VanDerWaalsContact O-CG1 3.3Å; L42-I46 WeakPolarHBondContact O-CG1 3.49Å; L42-I46 PolarHBondContact O-N 2.68Å; L42-I62 HydrophobicContact CD1-CD1 4.23Å; L42-V66 HydrophobicContact CD2-CG1 4.19Å; L42-I74 HydrophobicContact CD2-CG2 4.47Å; L42-L77 HydrophobicContact CD2-CB 3.51Å; L42-L77 HydrophobicContact CD2-CD1 4.38Å; L42-L77 HydrophobicContact CG-CB 4.1Å; L42-L78 HydrophobicContact CD2-CD2 4.13Å; L42-L78 HydrophobicContact CD2-CG 4.08Å; L42-F81 HydrophobicContact CD1-CB 4.41Å; L42-F81 HydrophobicContact CD1-CD2 4.29Å; L42-F81 HydrophobicContact CD1-CG 4.31Å
43K89.6Confident85.8Confident78 Ų7853.9 Ų53.934%0.33928%0.279SS..Hα-helixtrans-60.7-46.8172.9-73.5175.2-174.8169.40111.7T39 E40 A41 V45 I46 I47 L77T39-K43 WeakPolarHBondContact O-CG 3.44Å; T39-K43 PolarHBondContact O-N 3.36Å; E40-K43 PolarHBondContact O-N 2.8Å; E40-K43 IonicContact OE1-NZ 2.99Å; E40-K43 PolarHBondContact OE1-NZ 2.95Å; A41-K43 PolarHBondContact O-N 3.39Å; K43-V45 VanDerWaalsContact C-N 3.33Å; K43-V45 PolarHBondContact O-N 2.99Å; K43-I46 PolarHBondContact O-N 3.1Å; K43-I47 WeakPolarHBondContact O-CG1 3.47Å; K43-I47 PolarHBondContact O-N 3.39Å; K43-L77 HydrophobicContact CG-CD1 3.83Å; K43-L77 HydrophobicContact CG-CD2 3.88Å
44K87.9Confident85.4Confident95 Ų9560.9 Ų60.941%0.41330%0.304SS..Hα-helixtrans-59.2-44.6177.5-73.8171.5172.4-169.30111.3P21 L26 E40 A41 I46 I47 M48P21-K44 HydrophobicContact CB-CD 4.39Å; P21-K44 HydrophobicContact CG-CB 4.3Å; P21-K44 HydrophobicContact CG-CD 4.08Å; P21-K44 HydrophobicContact CG-CG 4.48Å; L26-K44 HydrophobicContact CD2-CB 4.04Å; L26-K44 HydrophobicContact CD2-CD 4.24Å; E40-K44 WeakPolarHBondContact O-CG 3.46Å; E40-K44 PolarHBondContact O-N 3.38Å; A41-K44 PolarHBondContact O-N 3.22Å; K44-I46 PolarHBondContact O-N 3.13Å; K44-I47 PolarHBondContact O-N 3.02Å; K44-M48 VanDerWaalsContact O-CG 3.29Å; K44-M48 WeakPolarHBondContact O-CG 3.44Å; K44-M48 PolarHBondContact O-N 3.05Å
45V88.3Confident84.9Confident0 Ų054.5 Ų54.50%027%0.274CS..Hα-helixtrans-59.8-45.5175.5171.70000111.8L26 L30 A41 L42 K43 I47 M48 I49 L55 L58 I62 F81L26-V45 HydrophobicContact CD1-CG2 4.03Å; L30-V45 HydrophobicContact CD1-CG2 4.37Å; A41-V45 WeakPolarHBondContact O-CG2 3.29Å; A41-V45 PolarHBondContact O-N 3.14Å; L42-V45 PolarHBondContact O-N 2.97Å; K43-V45 VanDerWaalsContact C-N 3.33Å; K43-V45 PolarHBondContact O-N 2.99Å; V45-I47 VanDerWaalsContact C-N 3.32Å; V45-I47 PolarHBondContact O-N 3.48Å; V45-M48 PolarHBondContact O-N 3.12Å; V45-I49 HydrophobicContact CG1-CD1 3.73Å; V45-I49 HydrophobicContact CG1-CG1 4.35Å; V45-I49 VanDerWaalsContact O-CG1 3.3Å; V45-I49 WeakPolarHBondContact O-CG1 3.4Å; V45-I49 PolarHBondContact O-N 3.19Å; V45-L55 HydrophobicContact CG1-CD1 4.37Å; V45-L58 HydrophobicContact CG1-CD1 4.48Å; V45-L58 HydrophobicContact CG2-CD1 3.69Å; V45-I62 HydrophobicContact CG1-CD1 4.24Å; V45-F81 HydrophobicContact CG1-CD2 4.2Å; V45-F81 HydrophobicContact CG1-CE2 3.73Å
46I88Confident84Confident12 Ų1255.2 Ų55.26%0.06229%0.285CS..Hα-helixtrans-59.7-44.2177.7-70.5164.5000110.9L42 K43 K44 I49 L50 L77 V80 F81 I84L42-I46 HydrophobicContact CG-CD1 4.22Å; L42-I46 VanDerWaalsContact O-CG1 3.3Å; L42-I46 WeakPolarHBondContact O-CG1 3.49Å; L42-I46 PolarHBondContact O-N 2.68Å; K43-I46 PolarHBondContact O-N 3.1Å; K44-I46 PolarHBondContact O-N 3.13Å; I46-I49 PolarHBondContact O-N 2.95Å; I46-L50 HydrophobicContact CG2-CD1 3.92Å; I46-L50 HydrophobicContact CG2-CG 4.45Å; I46-L50 WeakPolarHBondContact O-CB 3.31Å; I46-L50 VanDerWaalsContact O-CG 3.29Å; I46-L50 WeakPolarHBondContact O-CG 3.4Å; I46-L50 PolarHBondContact O-N 3.04Å; I46-L77 HydrophobicContact CD1-CB 4.17Å; I46-L77 HydrophobicContact CD1-CD2 4.1Å; I46-L77 WeakPolarHBondContact CD1-O 3.49Å; I46-V80 HydrophobicContact CD1-CB 4.41Å; I46-V80 HydrophobicContact CD1-CG1 4.38Å; I46-V80 HydrophobicContact CG2-CG1 4.02Å; I46-F81 HydrophobicContact CD1-CB 4.12Å; I46-F81 HydrophobicContact CG1-CB 3.95Å; I46-F81 HydrophobicContact CG1-CD2 4.17Å; I46-I84 HydrophobicContact CG2-CD1 3.76Å
47I85Confident83.5Confident55 Ų5548.8 Ų48.828%0.28227%0.268SS..Hα-helixtrans-62.9-45178.5-66.7164.2000110.9I12 V14 K43 K44 V45 L50 N51I12-I47 HydrophobicContact CB-CG2 4.2Å; I12-I47 HydrophobicContact CD1-CG1 4.21Å; I12-I47 HydrophobicContact CD1-CG2 4.41Å; I12-I47 HydrophobicContact CG2-CG2 4.23Å; V14-I47 HydrophobicContact CG2-CG2 4.3Å; K43-I47 WeakPolarHBondContact O-CG1 3.47Å; K43-I47 PolarHBondContact O-N 3.39Å; K44-I47 PolarHBondContact O-N 3.02Å; V45-I47 VanDerWaalsContact C-N 3.32Å; V45-I47 PolarHBondContact O-N 3.48Å; I47-L50 PolarHBondContact O-N 3.45Å; I47-N51 WeakPolarHBondContact O-CB 3.37Å; I47-N51 PolarHBondContact O-N 3.02Å
48M83Confident83.2Confident19 Ų1947 Ų479%0.09425%0.253CS..Hα-helixtrans-63.1-42.9179-69.3167.780.400111.9P21 L26 K44 V45 N51 G52 E53 L55P21-M48 HydrophobicContact CG-SD 3.85Å; L26-M48 HydrophobicContact CD1-CE 4.27Å; L26-M48 HydrophobicContact CD1-SD 3.66Å; K44-M48 VanDerWaalsContact O-CG 3.29Å; K44-M48 WeakPolarHBondContact O-CG 3.44Å; K44-M48 PolarHBondContact O-N 3.05Å; V45-M48 PolarHBondContact O-N 3.12Å; M48-N51 PolarHBondContact O-N 3.22Å; M48-G52 PolarHBondContact O-N 3.01Å; M48-E53 HydrophobicContact CB-CB 4.36Å; M48-E53 WeakPolarHBondContact CE-OE2 3.22Å; M48-E53 WeakPolarHBondContact O-CB 3.34Å; M48-E53 PolarHBondContact O-N 2.95Å; M48-L55 HydrophobicContact CB-CD1 3.95Å; M48-L55 HydrophobicContact CE-CD1 4.2Å; M48-L55 HydrophobicContact SD-CD1 4.3Å
49I82.8Confident82.9Confident28 Ų2847 Ų4714%0.14425%0.254CS..Hα-helixtrans-66.7-39.9176.9-63.2172.3000110.9V45 I46 N51 G52 L55 F81 I84 V85V45-I49 HydrophobicContact CG1-CD1 3.73Å; V45-I49 HydrophobicContact CG1-CG1 4.35Å; V45-I49 VanDerWaalsContact O-CG1 3.3Å; V45-I49 WeakPolarHBondContact O-CG1 3.4Å; V45-I49 PolarHBondContact O-N 3.19Å; I46-I49 PolarHBondContact O-N 2.95Å; I49-N51 VanDerWaalsContact C-N 3.28Å; I49-N51 PolarHBondContact O-N 3.04Å; I49-G52 PolarHBondContact O-N 2.9Å; I49-L55 HydrophobicContact CG1-CD1 4.36Å; I49-F81 HydrophobicContact CD1-CD2 4.06Å; I49-F81 HydrophobicContact CD1-CE2 3.5Å; I49-F81 HydrophobicContact CD1-CZ 4.47Å; I49-I84 HydrophobicContact CB-CG2 4.4Å; I49-I84 HydrophobicContact CG2-CB 4.45Å; I49-I84 HydrophobicContact CG2-CG2 3.51Å; I49-V85 HydrophobicContact CD1-CG2 4.1Å
50L79.6Confident82.7Confident59 Ų5951.5 Ų51.531%0.30928%0.275SS..Hα-helixtrans-62.1-36.7174.8-75.9171.4000112C8 I12 I46 I47 G52 I84C8-L50 PolarHBondContact SG-O 3.38Å; I12-L50 HydrophobicContact CD1-CB 4.49Å; I12-L50 HydrophobicContact CD1-CD1 3.84Å; I46-L50 HydrophobicContact CG2-CD1 3.92Å; I46-L50 HydrophobicContact CG2-CG 4.45Å; I46-L50 WeakPolarHBondContact O-CB 3.31Å; I46-L50 VanDerWaalsContact O-CG 3.29Å; I46-L50 WeakPolarHBondContact O-CG 3.4Å; I46-L50 PolarHBondContact O-N 3.04Å; I47-L50 PolarHBondContact O-N 3.45Å; L50-G52 PolarHBondContact O-N 3.21Å; L50-I84 HydrophobicContact CD1-CD1 4.06Å; L50-I84 HydrophobicContact CD2-CD1 3.61Å; L50-I84 HydrophobicContact CD2-CG1 3.84Å; L50-I84 HydrophobicContact CD2-CG2 3.89Å; L50-I84 HydrophobicContact CG-CD1 3.74Å; L50-I84 HydrophobicContact CG-CG1 4.46Å; L50-I84 HydrophobicContact CG-CG2 4.37Å
51N78.3Confident82.6Confident44 Ų4447.4 Ų47.424%0.23526%0.257CS..THydrogen-bonded Turntrans-730.3174.5-72-13.9000113.6I12 I47 M48 I49I12-N51 PolarHBondContact N-OD1 3.38Å; I47-N51 WeakPolarHBondContact O-CB 3.37Å; I47-N51 PolarHBondContact O-N 3.02Å; M48-N51 PolarHBondContact O-N 3.22Å; I49-N51 VanDerWaalsContact C-N 3.28Å; I49-N51 PolarHBondContact O-N 3.04Å
52G72.9Confident82.6Confident46 Ų4647.3 Ų47.347%0.47426%0.256SS..THydrogen-bonded Turntrans97.12.1175.200000115.4M48 I49 L50M48-G52 PolarHBondContact O-N 3.01Å; I49-G52 PolarHBondContact O-N 2.9Å; L50-G52 PolarHBondContact O-N 3.21Å
53E79.3Confident82.4Confident89 Ų8947.9 Ų47.942%0.41626%0.259SS..  trans-75.1127.7178.3-62.4-175.5-173.600111.8M48M48-E53 HydrophobicContact CB-CB 4.36Å; M48-E53 WeakPolarHBondContact CE-OE2 3.22Å; M48-E53 WeakPolarHBondContact O-CB 3.34Å; M48-E53 PolarHBondContact O-N 2.95Å
54K74.1Confident82.3Confident166 Ų16652.5 Ų52.572%0.72227%0.274SS*.  trans-88.2112.2177-65179.7-176.3172.60109.8P56K54-P56 WeakPolarHBondContact O-CD 2.98Å
55L79Confident82.2Confident24 Ų2451 Ų5113%0.12627%0.268CS..  trans-114.263.4178.7-62.4167.9000112.2E23 V45 M48 I49 G57 L58E23-L55 HydrophobicContact CB-CD2 4.41Å; E23-L55 HydrophobicContact CG-CD2 4.18Å; V45-L55 HydrophobicContact CG1-CD1 4.37Å; M48-L55 HydrophobicContact CB-CD1 3.95Å; M48-L55 HydrophobicContact CE-CD1 4.2Å; M48-L55 HydrophobicContact SD-CD1 4.3Å; I49-L55 HydrophobicContact CG1-CD1 4.36Å; L55-G57 VanDerWaalsContact C-N 3.26Å; L55-G57 PolarHBondContact O-N 2.73Å; L55-L58 HydrophobicContact CB-CD1 4.11Å; L55-L58 HydrophobicContact CB-CG 4.42Å; L55-L58 HydrophobicContact CD1-CD1 4.07Å; L55-L58 HydrophobicContact CG-CD1 4.49Å; L55-L58 PolarHBondContact O-N 3.46Å
56P69.6Low82.2Confident104 Ų10451 Ų5168%0.67527%0.268SS*.Hα-helixtrans-65-28-175.627.5-34.4000113.1K54 L58 L59K54-P56 WeakPolarHBondContact O-CD 2.98Å; P56-L58 PolarHBondContact O-N 3.46Å; P56-L59 PolarHBondContact O-N 3.02Å
57G78.6Confident82.1Confident38 Ų3851.2 Ų51.239%0.39227%0.269SS..Hα-helixtrans-67.7-17.7-179.400000114.7L55 T61L55-G57 VanDerWaalsContact C-N 3.26Å; L55-G57 PolarHBondContact O-N 2.73Å; G57-T61 PolarHBondContact O-OG1 2.79Å
58L83.4Confident82.1Confident1 Ų152.3 Ų52.31%0.00528%0.28CS..Hα-helixtrans-90.6-17.8-179.8-63.1-177.7000113.5E23 L26 K27 L30 V45 L55 P56 M60 T61 I62E23-L58 HydrophobicContact CG-CD1 4.24Å; E23-L58 HydrophobicContact CG-CD2 4.08Å; E23-L58 HydrophobicContact CG-CG 4Å; L26-L58 HydrophobicContact CB-CD1 4.25Å; L26-L58 HydrophobicContact CD1-CD1 4.43Å; K27-L58 HydrophobicContact CB-CD2 3.74Å; K27-L58 HydrophobicContact CG-CD2 4.27Å; L30-L58 HydrophobicContact CD1-CD2 4.48Å; V45-L58 HydrophobicContact CG1-CD1 4.48Å; V45-L58 HydrophobicContact CG2-CD1 3.69Å; L55-L58 HydrophobicContact CB-CD1 4.11Å; L55-L58 HydrophobicContact CB-CG 4.42Å; L55-L58 HydrophobicContact CD1-CD1 4.07Å; L55-L58 HydrophobicContact CG-CD1 4.49Å; L55-L58 PolarHBondContact O-N 3.46Å; P56-L58 PolarHBondContact O-N 3.46Å; L58-M60 PolarHBondContact O-N 2.83Å; L58-T61 WeakPolarHBondContact O-CB 3.34Å; L58-T61 PolarHBondContact O-N 2.91Å; L58-I62 HydrophobicContact CB-CD1 4.3Å; L58-I62 VanDerWaalsContact O-CG1 3.3Å; L58-I62 WeakPolarHBondContact O-CG1 3.25Å; L58-I62 PolarHBondContact O-N 2.74Å
59L84.3Confident82.3Confident21 Ų2153.6 Ų53.611%0.1129%0.287CS..Hα-helixtrans-57.7-53.1-175.2-178.161.3000112.2P56 T61 I62 I63 F81 W82 V85 L95 E97 M98P56-L59 PolarHBondContact O-N 3.02Å; L59-T61 VanDerWaalsContact C-N 3.3Å; L59-T61 PolarHBondContact O-N 3.37Å; L59-I62 PolarHBondContact O-N 2.98Å; L59-I63 HydrophobicContact CD1-CD1 4.31Å; L59-I63 HydrophobicContact CG-CD1 4.18Å; L59-I63 WeakPolarHBondContact O-CG1 3.42Å; L59-I63 PolarHBondContact O-N 3.45Å; L59-F81 HydrophobicContact CD1-CE1 4.22Å; L59-F81 HydrophobicContact CD1-CZ 4.35Å; L59-W82 HydrophobicContact CD1-CH2 4.12Å; L59-W82 HydrophobicContact CD1-CZ3 3.7Å; L59-V85 HydrophobicContact CD1-CG1 4.08Å; L59-L95 HydrophobicContact CD2-CD1 4.37Å; L59-E97 HydrophobicContact CD2-CB 4.4Å; L59-M98 HydrophobicContact CD1-CE 4.43Å; L59-M98 HydrophobicContact CD2-CE 4.24Å
60M85.3Confident82.2Confident107 Ų10758 Ų5853%0.52731%0.307SS..Hα-helixtrans-67.2-33179.4-172.855.5153.400112.3L58 I63 R64L58-M60 PolarHBondContact O-N 2.83Å; M60-I63 PolarHBondContact O-N 2.65Å; M60-R64 WeakPolarHBondContact O-CB 3.32Å; M60-R64 PolarHBondContact O-N 3.45Å
61T86Confident82.5Confident8 Ų857.8 Ų57.85%0.04931%0.306CS..Hα-helixtrans-62.9-44.7175.6-52.20000110.7K27 L30 E31 G57 L58 L59 R64 F65K27-T61 HydrophobicContact CG-CG2 4.07Å; L30-T61 HydrophobicContact CB-CG2 4.18Å; E31-T61 HydrophobicContact CG-CG2 3.53Å; G57-T61 PolarHBondContact O-OG1 2.79Å; L58-T61 WeakPolarHBondContact O-CB 3.34Å; L58-T61 PolarHBondContact O-N 2.91Å; L59-T61 VanDerWaalsContact C-N 3.3Å; L59-T61 PolarHBondContact O-N 3.37Å; T61-R64 PolarHBondContact O-N 2.86Å; T61-F65 HydrophobicContact CG2-CD2 4.01Å; T61-F65 WeakPolarHBondContact O-CB 3.27Å; T61-F65 WeakPolarHBondContact O-CD2 3.47Å; T61-F65 PolarHBondContact O-N 2.96Å
62I89.1Confident82.8Confident0 Ų060.7 Ų60.70%032%0.318CS..Hα-helixtrans-65.9-44.8177.3-68167000110.7L30 L42 V45 L58 L59 R64 V66 L67 L78 F81L30-I62 HydrophobicContact CD1-CD1 4.37Å; L30-I62 HydrophobicContact CD1-CG1 3.96Å; L42-I62 HydrophobicContact CD1-CD1 4.23Å; V45-I62 HydrophobicContact CG1-CD1 4.24Å; L58-I62 HydrophobicContact CB-CD1 4.3Å; L58-I62 VanDerWaalsContact O-CG1 3.3Å; L58-I62 WeakPolarHBondContact O-CG1 3.25Å; L58-I62 PolarHBondContact O-N 2.74Å; L59-I62 PolarHBondContact O-N 2.98Å; I62-R64 VanDerWaalsContact C-N 3.32Å; I62-R64 PolarHBondContact O-N 3.36Å; I62-V66 HydrophobicContact CG2-CB 4.14Å; I62-V66 WeakPolarHBondContact O-CA 3.47Å; I62-V66 WeakPolarHBondContact O-CB 3.49Å; I62-V66 PolarHBondContact O-N 3.15Å; I62-L67 PolarHBondContact O-N 3.1Å; I62-L78 HydrophobicContact CG2-CD2 3.69Å; I62-F81 HydrophobicContact CB-CE1 4.49Å; I62-F81 HydrophobicContact CD1-CD2 4.42Å; I62-F81 HydrophobicContact CD1-CE1 3.95Å; I62-F81 HydrophobicContact CD1-CE2 3.64Å; I62-F81 HydrophobicContact CD1-CZ 3.35Å; I62-F81 HydrophobicContact CG2-CD1 4.33Å; I62-F81 HydrophobicContact CG2-CE1 3.96Å; I62-F81 HydrophobicContact CG2-CZ 4.47Å
63I86.3Confident83.4Confident12 Ų1261.9 Ų61.96%0.06232%0.316CS..Hα-helixtrans-59.5-42.5176.8-67.6170.4000111.3L59 M60 L67 W82 E97 L100 V101L59-I63 HydrophobicContact CD1-CD1 4.31Å; L59-I63 HydrophobicContact CG-CD1 4.18Å; L59-I63 WeakPolarHBondContact O-CG1 3.42Å; L59-I63 PolarHBondContact O-N 3.45Å; M60-I63 PolarHBondContact O-N 2.65Å; I63-L67 HydrophobicContact CG2-CD2 4.1Å; I63-L67 VanDerWaalsContact O-CB 3.31Å; I63-L67 WeakPolarHBondContact O-CB 3.34Å; I63-W82 HydrophobicContact CD1-CH2 4.29Å; I63-W82 HydrophobicContact CG1-CH2 3.71Å; I63-W82 HydrophobicContact CG1-CZ2 4.41Å; I63-E97 HydrophobicContact CD1-CB 3.81Å; I63-L100 HydrophobicContact CG2-CB 4.09Å; I63-L100 HydrophobicContact CG2-CD1 3.9Å; I63-V101 HydrophobicContact CD1-CG2 4Å; I63-V101 HydrophobicContact CG1-CG2 4.19Å
64R86.9Confident83.8Confident175 Ų17557.7 Ų57.766%0.6630%0.296SS*.Hα-helixtrans-78.7-40.8-175.2-172.7174.2-180-177.11.3113.6M60 T61 I62 P68M60-R64 WeakPolarHBondContact O-CB 3.32Å; M60-R64 PolarHBondContact O-N 3.45Å; T61-R64 PolarHBondContact O-N 2.86Å; I62-R64 VanDerWaalsContact C-N 3.32Å; I62-R64 PolarHBondContact O-N 3.36Å; R64-P68 WeakPolarHBondContact O-CG 3.36Å
65F86.8Confident84.4Confident63 Ų6350.4 Ų50.428%0.27627%0.265SS..Hα-helixtrans-113.5-12.9-166.5-61.7-73.1000115.1E31 K38 T61E31-F65 HydrophobicContact CB-CD2 4.42Å; E31-F65 HydrophobicContact CG-CD2 3.73Å; E31-F65 HydrophobicContact CG-CE2 3.72Å; E31-F65 HydrophobicContact CG-CG 4.42Å; E31-F65 HydrophobicContact CG-CZ 4.42Å; K38-F65 PolarHBondContact NZ-O 3.44Å; K38-F65 VanDerWaalsContact NZ-O 3.13Å; T61-F65 HydrophobicContact CG2-CD2 4.01Å; T61-F65 WeakPolarHBondContact O-CB 3.27Å; T61-F65 WeakPolarHBondContact O-CD2 3.47Å; T61-F65 PolarHBondContact O-N 2.96Å
66V87Confident84.8Confident0 Ų055.7 Ų55.70%029%0.286CS..THydrogen-bonded Turntrans-116.7-44.2-176.4-172.20000111.5L30 L42 I62 P68 L69 I74 L78L30-V66 HydrophobicContact CB-CG2 4.3Å; L30-V66 HydrophobicContact CD2-CG2 3.87Å; L42-V66 HydrophobicContact CD2-CG1 4.19Å; I62-V66 HydrophobicContact CG2-CB 4.14Å; I62-V66 WeakPolarHBondContact O-CA 3.47Å; I62-V66 WeakPolarHBondContact O-CB 3.49Å; I62-V66 PolarHBondContact O-N 3.15Å; V66-P68 VanDerWaalsContact C-N 3.34Å; V66-L69 VanDerWaalsContact O-CB 3.3Å; V66-L69 WeakPolarHBondContact O-CB 3.2Å; V66-L69 WeakPolarHBondContact O-CG 3.4Å; V66-L69 PolarHBondContact O-N 3.28Å; V66-L69 VanDerWaalsContact O-N 3.08Å; V66-I74 HydrophobicContact CG1-CG2 3.51Å; V66-L78 HydrophobicContact CG1-CD1 4.36Å; V66-L78 HydrophobicContact CG1-CD2 4.06Å; V66-L78 HydrophobicContact CG1-CG 4.38Å
67L86.3Confident85.7Confident17 Ų1752.1 Ų52.19%0.08926%0.262CS..THydrogen-bonded Turntrans-54.5-37.4178.4-173.165000114.7I62 I63 L69 L78 W82 A104I62-L67 PolarHBondContact O-N 3.1Å; I63-L67 HydrophobicContact CG2-CD2 4.1Å; I63-L67 VanDerWaalsContact O-CB 3.31Å; I63-L67 WeakPolarHBondContact O-CB 3.34Å; L67-L69 PolarHBondContact O-N 2.89Å; L67-L78 HydrophobicContact CD1-CD1 4.28Å; L67-W82 HydrophobicContact CD1-CZ2 4.16Å; L67-A104 HydrophobicContact CD1-CB 3.83Å; L67-A104 HydrophobicContact CD2-CB 3.75Å; L67-A104 HydrophobicContact CG-CB 3.91Å
68P85.7Confident86.2Confident78 Ų7850.5 Ų50.551%0.50624%0.244SC..THydrogen-bonded Turntrans-73-13179.4-1934.1000114.4R64 V66 Q70R64-P68 WeakPolarHBondContact O-CG 3.36Å; V66-P68 VanDerWaalsContact C-N 3.34Å; P68-Q70 PolarHBondContact O-NE2 2.94Å
69L86.5Confident86.4Confident46 Ų4651.5 Ų51.524%0.24125%0.249CC..  trans-70.2139.6-176-60.1175.1000110.9K38 V66 L67 I74 K75K38-L69 HydrophobicContact CD-CD1 3.74Å; V66-L69 VanDerWaalsContact O-CB 3.3Å; V66-L69 WeakPolarHBondContact O-CB 3.2Å; V66-L69 WeakPolarHBondContact O-CG 3.4Å; V66-L69 PolarHBondContact O-N 3.28Å; V66-L69 VanDerWaalsContact O-N 3.08Å; L67-L69 PolarHBondContact O-N 2.89Å; L69-I74 HydrophobicContact CB-CD1 4.46Å; L69-I74 HydrophobicContact CB-CG2 4.43Å; L69-I74 HydrophobicContact CD1-CD1 3.62Å; L69-K75 VanDerWaalsContact O-CE 3.32Å; L69-K75 WeakPolarHBondContact O-CE 3.25Å
70Q82Confident86.6Confident121 Ų12153.4 Ų53.457%0.56526%0.262SS*.  trans-95.74.2-177.1-60-61.8-35.100113.3P68 H72 H111P68-Q70 PolarHBondContact O-NE2 2.94Å; Q70-H72 PolarHBondContact O-N 2.71Å; Q70-H111 PolarHBondContact OE1-NE2 3.45Å
71D86.2Confident86.8Confident54 Ų5448.5 Ų48.529%0.28924%0.237SC..  trans-66.4131.5179.2-17779.2000111.2I35 T73 I74 K75I35-D71 HydrophobicContact CG2-CB 4.05Å; D71-T73 VanDerWaalsContact C-N 3.31Å; D71-T73 PolarHBondContact O-N 3.13Å; D71-T73 WeakPolarHBondContact OD2-CA 3.38Å; D71-T73 WeakPolarHBondContact OD2-CB 3.45Å; D71-T73 PolarHBondContact OD2-N 3.27Å; D71-T73 PolarHBondContact OD2-OG1 3.18Å; D71-I74 HydrophobicContact CB-CB 4.2Å; D71-I74 HydrophobicContact CB-CD1 4.19Å; D71-I74 HydrophobicContact CB-CG1 4.16Å; D71-I74 PolarHBondContact O-N 3.07Å; D71-I74 PolarHBondContact OD2-N 3.38Å; D71-K75 WeakPolarHBondContact O-CG 3.28Å; D71-K75 PolarHBondContact O-N 3.16Å
72H82.8Confident86.8Confident105 Ų10548.3 Ų48.349%0.48624%0.236SC..Hα-helixtrans-63.2-36-174.8-178.3-139.6000112.7Q70 K76Q70-H72 PolarHBondContact O-N 2.71Å; H72-K76 PolarHBondContact O-N 3.42Å; H72-K76 VanDerWaalsContact O-N 3.13Å
73T86.1Confident86.6Confident71 Ų7152.2 Ų52.244%0.43625%0.254SS..Hα-helixtrans-70-45.7179.9-47.50000110.2T39 D71 K76 L77T39-T73 HydrophobicContact CG2-CG2 3.8Å; D71-T73 VanDerWaalsContact C-N 3.31Å; D71-T73 PolarHBondContact O-N 3.13Å; D71-T73 WeakPolarHBondContact OD2-CA 3.38Å; D71-T73 WeakPolarHBondContact OD2-CB 3.45Å; D71-T73 PolarHBondContact OD2-N 3.27Å; D71-T73 PolarHBondContact OD2-OG1 3.18Å; T73-K76 PolarHBondContact O-N 3.38Å; T73-L77 HydrophobicContact CG2-CD1 4.32Å; T73-L77 WeakPolarHBondContact O-CG 3.26Å; T73-L77 PolarHBondContact O-N 2.92Å
74I88.4Confident86.5Confident0 Ų053.8 Ų53.80%026%0.262CS..Hα-helixtrans-61.6-45.7176.9-66-177000110.7I35 K38 T39 L42 V66 L69 D71 K76 L77 L78I35-I74 HydrophobicContact CG2-CD1 3.88Å; K38-I74 HydrophobicContact CB-CD1 4.32Å; T39-I74 WeakPolarHBondContact OG1-CG1 3.21Å; L42-I74 HydrophobicContact CD2-CG2 4.47Å; V66-I74 HydrophobicContact CG1-CG2 3.51Å; L69-I74 HydrophobicContact CB-CD1 4.46Å; L69-I74 HydrophobicContact CB-CG2 4.43Å; L69-I74 HydrophobicContact CD1-CD1 3.62Å; D71-I74 HydrophobicContact CB-CB 4.2Å; D71-I74 HydrophobicContact CB-CD1 4.19Å; D71-I74 HydrophobicContact CB-CG1 4.16Å; D71-I74 PolarHBondContact O-N 3.07Å; D71-I74 PolarHBondContact OD2-N 3.38Å; I74-K76 VanDerWaalsContact C-N 3.31Å; I74-K76 PolarHBondContact O-N 3.13Å; I74-L77 PolarHBondContact O-N 2.78Å; I74-L78 HydrophobicContact CG2-CD1 3.88Å; I74-L78 HydrophobicContact CG2-CG 4.19Å; I74-L78 WeakPolarHBondContact O-CB 3.39Å; I74-L78 VanDerWaalsContact O-CG 3.3Å; I74-L78 WeakPolarHBondContact O-CG 3.43Å; I74-L78 PolarHBondContact O-N 3.49Å
75K86.1Confident86.4Confident14 Ų1446 Ų466%0.06123%0.234CC..Hα-helixtrans-57.2-42.9176.8-77.7-69.3-165.7171.50112.4L69 D71 L78 L79 D108L69-K75 VanDerWaalsContact O-CE 3.32Å; L69-K75 WeakPolarHBondContact O-CE 3.25Å; D71-K75 WeakPolarHBondContact O-CG 3.28Å; D71-K75 PolarHBondContact O-N 3.16Å; K75-L78 PolarHBondContact O-N 3.05Å; K75-L79 WeakPolarHBondContact O-CG 3.21Å; K75-L79 PolarHBondContact O-N 3.21Å; K75-L79 VanDerWaalsContact O-N 3.16Å; K75-D108 IonicContact NZ-OD1 2.74Å; K75-D108 PolarHBondContact NZ-OD1 3Å; K75-D108 IonicContact NZ-OD2 2.74Å; K75-D108 PolarHBondContact NZ-OD2 3.41Å
76K86.9Confident86.2Confident134 Ų13446 Ų4658%0.58324%0.24SC*.Hα-helixtrans-66.7-42.2178.2-161.3179-177.1-175.90112.1H72 T73 I74 L78 L79 V80H72-K76 PolarHBondContact O-N 3.42Å; H72-K76 VanDerWaalsContact O-N 3.13Å; T73-K76 PolarHBondContact O-N 3.38Å; I74-K76 VanDerWaalsContact C-N 3.31Å; I74-K76 PolarHBondContact O-N 3.13Å; K76-L78 VanDerWaalsContact C-N 3.34Å; K76-L79 PolarHBondContact O-N 3.34Å; K76-V80 PolarHBondContact O-N 3.26Å
77L89Confident86Confident30 Ų3047.2 Ų47.216%0.15725%0.246CC..Hα-helixtrans-65.2-37.6175.1-71.2171.7000112T39 L42 K43 I46 T73 I74 L79 V80 F81T39-L77 HydrophobicContact CG2-CD1 3.69Å; L42-L77 HydrophobicContact CD2-CB 3.51Å; L42-L77 HydrophobicContact CD2-CD1 4.38Å; L42-L77 HydrophobicContact CG-CB 4.1Å; K43-L77 HydrophobicContact CG-CD1 3.83Å; K43-L77 HydrophobicContact CG-CD2 3.88Å; I46-L77 HydrophobicContact CD1-CB 4.17Å; I46-L77 HydrophobicContact CD1-CD2 4.1Å; I46-L77 WeakPolarHBondContact CD1-O 3.49Å; T73-L77 HydrophobicContact CG2-CD1 4.32Å; T73-L77 WeakPolarHBondContact O-CG 3.26Å; T73-L77 PolarHBondContact O-N 2.92Å; I74-L77 PolarHBondContact O-N 2.78Å; L77-L79 PolarHBondContact O-N 3.38Å; L77-V80 PolarHBondContact O-N 3.34Å; L77-F81 WeakPolarHBondContact O-CB 3.41Å; L77-F81 PolarHBondContact O-N 3.3Å
78L89.7Confident85.8Confident4 Ų449.5 Ų49.52%0.02126%0.26CS..Hα-helixtrans-60.4-44.5175-76.8169.4000111.2L42 I62 V66 L67 I74 K75 K76 V80 F81 W82L42-L78 HydrophobicContact CD2-CD2 4.13Å; L42-L78 HydrophobicContact CD2-CG 4.08Å; I62-L78 HydrophobicContact CG2-CD2 3.69Å; V66-L78 HydrophobicContact CG1-CD1 4.36Å; V66-L78 HydrophobicContact CG1-CD2 4.06Å; V66-L78 HydrophobicContact CG1-CG 4.38Å; L67-L78 HydrophobicContact CD1-CD1 4.28Å; I74-L78 HydrophobicContact CG2-CD1 3.88Å; I74-L78 HydrophobicContact CG2-CG 4.19Å; I74-L78 WeakPolarHBondContact O-CB 3.39Å; I74-L78 VanDerWaalsContact O-CG 3.3Å; I74-L78 WeakPolarHBondContact O-CG 3.43Å; I74-L78 PolarHBondContact O-N 3.49Å; K75-L78 PolarHBondContact O-N 3.05Å; K76-L78 VanDerWaalsContact C-N 3.34Å; L78-V80 VanDerWaalsContact C-N 3.26Å; L78-V80 PolarHBondContact O-N 3.46Å; L78-F81 WeakPolarHBondContact O-CB 3.37Å; L78-F81 PolarHBondContact O-N 2.97Å; L78-F81 VanDerWaalsContact O-N 3.16Å; L78-W82 VanDerWaalsContact C-CD1 3.45Å; L78-W82 HydrophobicContact CD2-CZ2 4.37Å; L78-W82 PolarHBondContact O-N 3.23Å; L78-W82 PolarHBondContact O-NE1 3.02Å
79L87.7Confident85.5Confident22 Ų2247.6 Ų47.612%0.11525%0.247CC..Hα-helixtrans-58.8-38.2176.1-65.8175.9000112.3K75 K76 L77 E83 F123K75-L79 WeakPolarHBondContact O-CG 3.21Å; K75-L79 PolarHBondContact O-N 3.21Å; K75-L79 VanDerWaalsContact O-N 3.16Å; K76-L79 PolarHBondContact O-N 3.34Å; L77-L79 PolarHBondContact O-N 3.38Å; L79-E83 PolarHBondContact O-N 3.18Å; L79-F123 HydrophobicContact CB-CB 4.46Å; L79-F123 HydrophobicContact CB-CD2 4.39Å; L79-F123 HydrophobicContact CB-CG 4.42Å; L79-F123 HydrophobicContact CD2-CB 4.01Å; L79-F123 HydrophobicContact CD2-CD1 3.95Å; L79-F123 HydrophobicContact CD2-CG 3.9Å; L79-F123 VanDerWaalsContact O-CD2 3.28Å; L79-F123 WeakPolarHBondContact O-CD2 3.4Å; L79-F123 WeakPolarHBondContact O-CE2 3.45Å
80V87.7Confident84.9Confident61 Ų6151.6 Ų51.637%0.3728%0.276SS..Hα-helixtrans-68-45.9174.5176.80000111I46 K76 L77 L78 W82 E83 I84I46-V80 HydrophobicContact CD1-CB 4.41Å; I46-V80 HydrophobicContact CD1-CG1 4.38Å; I46-V80 HydrophobicContact CG2-CG1 4.02Å; K76-V80 PolarHBondContact O-N 3.26Å; L77-V80 PolarHBondContact O-N 3.34Å; L78-V80 VanDerWaalsContact C-N 3.26Å; L78-V80 PolarHBondContact O-N 3.46Å; V80-W82 VanDerWaalsContact C-N 3.3Å; V80-W82 PolarHBondContact O-N 3.2Å; V80-E83 VanDerWaalsContact O-CB 3.31Å; V80-E83 WeakPolarHBondContact O-CB 3.48Å; V80-E83 PolarHBondContact O-N 3.34Å; V80-E83 VanDerWaalsContact O-N 3.08Å; V80-I84 HydrophobicContact CG1-CD1 3.85Å; V80-I84 WeakPolarHBondContact O-CD1 3.17Å; V80-I84 WeakPolarHBondContact O-CG1 3.38Å; V80-I84 PolarHBondContact O-N 2.79Å
81F89.3Confident84.6Confident4 Ų452.7 Ų52.72%0.01829%0.285CS..Hα-helixtrans-55.6-45.8177174.5-102.6000111.6L42 V45 I46 I49 L59 I62 L77 L78 E83 I84 V85L42-F81 HydrophobicContact CD1-CB 4.41Å; L42-F81 HydrophobicContact CD1-CD2 4.29Å; L42-F81 HydrophobicContact CD1-CG 4.31Å; V45-F81 HydrophobicContact CG1-CD2 4.2Å; V45-F81 HydrophobicContact CG1-CE2 3.73Å; I46-F81 HydrophobicContact CD1-CB 4.12Å; I46-F81 HydrophobicContact CG1-CB 3.95Å; I46-F81 HydrophobicContact CG1-CD2 4.17Å; I49-F81 HydrophobicContact CD1-CD2 4.06Å; I49-F81 HydrophobicContact CD1-CE2 3.5Å; I49-F81 HydrophobicContact CD1-CZ 4.47Å; L59-F81 HydrophobicContact CD1-CE1 4.22Å; L59-F81 HydrophobicContact CD1-CZ 4.35Å; I62-F81 HydrophobicContact CB-CE1 4.49Å; I62-F81 HydrophobicContact CD1-CD2 4.42Å; I62-F81 HydrophobicContact CD1-CE1 3.95Å; I62-F81 HydrophobicContact CD1-CE2 3.64Å; I62-F81 HydrophobicContact CD1-CZ 3.35Å; I62-F81 HydrophobicContact CG2-CD1 4.33Å; I62-F81 HydrophobicContact CG2-CE1 3.96Å; I62-F81 HydrophobicContact CG2-CZ 4.47Å; L77-F81 WeakPolarHBondContact O-CB 3.41Å; L77-F81 PolarHBondContact O-N 3.3Å; L78-F81 WeakPolarHBondContact O-CB 3.37Å; L78-F81 PolarHBondContact O-N 2.97Å; L78-F81 VanDerWaalsContact O-N 3.16Å; F81-E83 VanDerWaalsContact C-N 3.26Å; F81-E83 PolarHBondContact O-N 2.9Å; F81-I84 PolarHBondContact O-N 3.26Å; F81-I84 VanDerWaalsContact O-N 3.14Å; F81-V85 HydrophobicContact CD1-CG2 3.96Å; F81-V85 HydrophobicContact CD2-CG2 3.8Å; F81-V85 HydrophobicContact CE1-CG2 3.64Å; F81-V85 HydrophobicContact CE2-CG2 3.45Å; F81-V85 VanDerWaalsContact CE2-CG2 3.45Å; F81-V85 HydrophobicContact CG-CG2 4.05Å; F81-V85 HydrophobicContact CZ-CG2 3.36Å; F81-V85 VanDerWaalsContact O-CG2 3.24Å; F81-V85 WeakPolarHBondContact O-CG2 3.46Å; F81-V85 PolarHBondContact O-N 3.12Å
82W87.1Confident84Confident4 Ų452.7 Ų52.72%0.01530%0.299CS..Hα-helixtrans-67-24.6178.7-61.7128.9000113.9L59 I63 L67 L78 V80 I84 K87 V101 Y105 F123L59-W82 HydrophobicContact CD1-CH2 4.12Å; L59-W82 HydrophobicContact CD1-CZ3 3.7Å; I63-W82 HydrophobicContact CD1-CH2 4.29Å; I63-W82 HydrophobicContact CG1-CH2 3.71Å; I63-W82 HydrophobicContact CG1-CZ2 4.41Å; L67-W82 HydrophobicContact CD1-CZ2 4.16Å; L78-W82 VanDerWaalsContact C-CD1 3.45Å; L78-W82 HydrophobicContact CD2-CZ2 4.37Å; L78-W82 PolarHBondContact O-N 3.23Å; L78-W82 PolarHBondContact O-NE1 3.02Å; V80-W82 VanDerWaalsContact C-N 3.3Å; V80-W82 PolarHBondContact O-N 3.2Å; W82-I84 VanDerWaalsContact C-N 3.27Å; W82-I84 PolarHBondContact O-N 3.47Å; W82-K87 WeakPolarHBondContact O-CE 3.27Å; W82-K87 PolarHBondContact O-NZ 3.08Å; W82-V101 HydrophobicContact CD2-CG1 3.93Å; W82-V101 HydrophobicContact CE3-CG1 4.14Å; W82-V101 HydrophobicContact CE3-CG2 4.36Å; W82-V101 HydrophobicContact CG-CG1 4.43Å; W82-V101 HydrophobicContact CH2-CG1 4.44Å; W82-V101 HydrophobicContact CH2-CG2 3.64Å; W82-V101 HydrophobicContact CZ2-CG1 4.22Å; W82-V101 HydrophobicContact CZ2-CG2 4.03Å; W82-V101 HydrophobicContact CZ3-CG1 4.38Å; W82-V101 HydrophobicContact CZ3-CG2 3.8Å; W82-Y105 WeakPolarHBondContact CB-OH 3.3Å; W82-Y105 AromaticContact CD1-CE1 3.78Å; W82-Y105 AromaticContact CD1-CZ 3.97Å; W82-Y105 VanDerWaalsContact CD1-OH 3.25Å; W82-Y105 HydrophobicContact CG-CE1 4.33Å; W82-F123 HydrophobicContact CB-CE1 4.37Å; W82-F123 HydrophobicContact CB-CE2 3.88Å; W82-F123 HydrophobicContact CB-CZ 3.5Å
83E85.1Confident84Confident82 Ų8255 Ų5538%0.38331%0.307SS..Hα-helixtrans-66.4-35.6174.6-170.1174.1158.800110.8L79 V80 F81 K87 F123 K126L79-E83 PolarHBondContact O-N 3.18Å; V80-E83 VanDerWaalsContact O-CB 3.31Å; V80-E83 WeakPolarHBondContact O-CB 3.48Å; V80-E83 PolarHBondContact O-N 3.34Å; V80-E83 VanDerWaalsContact O-N 3.08Å; F81-E83 VanDerWaalsContact C-N 3.26Å; F81-E83 PolarHBondContact O-N 2.9Å; E83-K87 VanDerWaalsContact C-NZ 3.34Å; E83-K87 PolarHBondContact O-NZ 3.5Å; E83-F123 HydrophobicContact CB-CD2 4.48Å; E83-F123 HydrophobicContact CB-CE2 4Å; E83-K126 HydrophobicContact CG-CD 4.13Å; E83-K126 WeakPolarHBondContact OE1-CD 3.41Å; E83-K126 IonicContact OE1-NZ 3.35Å; E83-K126 PolarHBondContact OE1-NZ 3.44Å; E83-K126 VanDerWaalsContact OE2-CD 3.27Å; E83-K126 WeakPolarHBondContact OE2-CD 3.33Å; E83-K126 IonicContact OE2-NZ 3.93Å; E83-K126 PolarHBondContact OE2-NZ 3.4Å
84I83.8Confident83.8Confident45 Ų4553.5 Ų53.523%0.23130%0.296CS..Hα-helixtrans-94.8-35.4-168.6-53.9155.1000112.1I46 I49 L50 V80 F81 W82I46-I84 HydrophobicContact CG2-CD1 3.76Å; I49-I84 HydrophobicContact CB-CG2 4.4Å; I49-I84 HydrophobicContact CG2-CB 4.45Å; I49-I84 HydrophobicContact CG2-CG2 3.51Å; L50-I84 HydrophobicContact CD1-CD1 4.06Å; L50-I84 HydrophobicContact CD2-CD1 3.61Å; L50-I84 HydrophobicContact CD2-CG1 3.84Å; L50-I84 HydrophobicContact CD2-CG2 3.89Å; L50-I84 HydrophobicContact CG-CD1 3.74Å; L50-I84 HydrophobicContact CG-CG1 4.46Å; L50-I84 HydrophobicContact CG-CG2 4.37Å; V80-I84 HydrophobicContact CG1-CD1 3.85Å; V80-I84 WeakPolarHBondContact O-CD1 3.17Å; V80-I84 WeakPolarHBondContact O-CG1 3.38Å; V80-I84 PolarHBondContact O-N 2.79Å; F81-I84 PolarHBondContact O-N 3.26Å; F81-I84 VanDerWaalsContact O-N 3.14Å; W82-I84 VanDerWaalsContact C-N 3.27Å; W82-I84 PolarHBondContact O-N 3.47Å
85V84.9Confident83.6Confident11 Ų1155.3 Ų55.37%0.06731%0.306CS..SBendtrans-63.8136.3-174.7169.50000111.9I49 L59 F81 K87 M98I49-V85 HydrophobicContact CD1-CG2 4.1Å; L59-V85 HydrophobicContact CD1-CG1 4.08Å; F81-V85 HydrophobicContact CD1-CG2 3.96Å; F81-V85 HydrophobicContact CD2-CG2 3.8Å; F81-V85 HydrophobicContact CE1-CG2 3.64Å; F81-V85 HydrophobicContact CE2-CG2 3.45Å; F81-V85 VanDerWaalsContact CE2-CG2 3.45Å; F81-V85 HydrophobicContact CG-CG2 4.05Å; F81-V85 HydrophobicContact CZ-CG2 3.36Å; F81-V85 VanDerWaalsContact O-CG2 3.24Å; F81-V85 WeakPolarHBondContact O-CG2 3.46Å; F81-V85 PolarHBondContact O-N 3.12Å; V85-K87 WeakPolarHBondContact O-CD 3.44Å; V85-K87 WeakPolarHBondContact O-CE 3.39Å; V85-K87 PolarHBondContact O-N 3.49Å; V85-K87 PolarHBondContact O-NZ 3.03Å; V85-M98 HydrophobicContact CG1-CE 4.3Å
86P80.9Confident83.3Confident64 Ų6462.5 Ų62.542%0.41634%0.34SS..  trans-59.8131172.7-22.933.3000112.1L95P86-L95 WeakPolarHBondContact O-CD1 3.44Å
87K84.3Confident83Confident25 Ų2559.4 Ų59.411%0.10933%0.327CS..  trans-97.3-20.1-178.5-64.289.8-172.91610112.9W82 E83 V85 L94 L95 M98 E129 L132W82-K87 WeakPolarHBondContact O-CE 3.27Å; W82-K87 PolarHBondContact O-NZ 3.08Å; E83-K87 VanDerWaalsContact C-NZ 3.34Å; E83-K87 PolarHBondContact O-NZ 3.5Å; V85-K87 WeakPolarHBondContact O-CD 3.44Å; V85-K87 WeakPolarHBondContact O-CE 3.39Å; V85-K87 PolarHBondContact O-N 3.49Å; V85-K87 PolarHBondContact O-NZ 3.03Å; K87-L94 HydrophobicContact CB-CD1 4.26Å; K87-L95 PolarHBondContact O-N 3.45Å; K87-M98 HydrophobicContact CB-SD 4.48Å; K87-M98 HydrophobicContact CG-SD 4.16Å; K87-E129 HydrophobicContact CB-CG 4.29Å; K87-L132 HydrophobicContact CB-CD1 4.48Å; K87-L132 HydrophobicContact CG-CD1 4.24Å
88T82Confident82.8Confident64 Ų6458.2 Ų58.239%0.39332%0.321SS..BIsolated β-bridgetrans-109.4146.7-178.3570000111K93T88-K93 CarbonylContact C-O 3.56Å; T88-K93 VanDerWaalsContact CA-O 3.3Å; T88-K93 WeakPolarHBondContact CA-O 3.31Å
89T79.1Confident82.4Confident39 Ų3963.6 Ų63.624%0.23935%0.349CS..  trans-61163.4162.654.70000110.9D91 G92 K93 L95T89-D91 PolarHBondContact O-N 3.15Å; T89-G92 PolarHBondContact O-N 3.38Å; T89-K93 PolarHBondContact N-O 2.86Å; T89-K93 PolarHBondContact OG1-N 3.42Å; T89-K93 PolarHBondContact OG1-O 2.68Å; T89-L95 HydrophobicContact CG2-CD2 3.64Å; T89-L95 HydrophobicContact CG2-CG 4.35Å
90P74.8Confident82.2Confident130 Ų13066.8 Ų66.884%0.84437%0.365SS*.THydrogen-bonded Turntrans-54.8-24173.5-26.335.6000114.1G92P90-G92 VanDerWaalsContact C-N 3.28Å; P90-G92 PolarHBondContact O-N 2.99Å
91D75.5Confident82.1Confident143 Ų14364 Ų6477%0.76535%0.348SS*.THydrogen-bonded Turntrans-84.63.5177.6-56.1-38.8000113.5T89 K93T89-D91 PolarHBondContact O-N 3.15Å; D91-K93 VanDerWaalsContact C-N 3.32Å; D91-K93 PolarHBondContact O-N 3.1Å
92G73.5Confident81.9Confident55 Ų5564.5 Ų64.557%0.56735%0.352SS*.SBendtrans811.4179.700000115.3T89 P90T89-G92 PolarHBondContact O-N 3.38Å; P90-G92 VanDerWaalsContact C-N 3.28Å; P90-G92 PolarHBondContact O-N 2.99Å
93K81.8Confident81.9Confident154 Ų15467.8 Ų67.867%0.6737%0.37SS*.PPolyproline II helixtrans-83.7143.7175.7-65.8-177.6178.7177.20111.6T88 T89 D91T88-K93 CarbonylContact C-O 3.56Å; T88-K93 VanDerWaalsContact CA-O 3.3Å; T88-K93 WeakPolarHBondContact CA-O 3.31Å; T89-K93 PolarHBondContact N-O 2.86Å; T89-K93 PolarHBondContact OG1-N 3.42Å; T89-K93 PolarHBondContact OG1-O 2.68Å; D91-K93 VanDerWaalsContact C-N 3.32Å; D91-K93 PolarHBondContact O-N 3.1Å
94L82.5Confident82Confident39 Ų3964.4 Ų64.420%0.20436%0.356CS..BIsolated β-bridgetrans-60.8137.8176.9-169.473.6000112K87 M98 E131 L132K87-L94 HydrophobicContact CB-CD1 4.26Å; L94-M98 HydrophobicContact CD1-CB 4.2Å; L94-M98 HydrophobicContact CD1-CG 4.24Å; L94-M98 HydrophobicContact CD2-CB 4.34Å; L94-M98 HydrophobicContact CG-CB 4.15Å; L94-M98 HydrophobicContact CG-CG 4.49Å; L94-E131 HydrophobicContact CD2-CB 4.33Å; L94-L132 HydrophobicContact CD1-CD1 4.04Å; L94-L132 HydrophobicContact CD1-CD2 3.81Å; L94-L132 HydrophobicContact CD1-CG 3.85Å; L94-L132 HydrophobicContact CD2-CD2 3.58Å; L94-L132 HydrophobicContact CD2-CG 4.22Å; L94-L132 HydrophobicContact CG-CD2 4.24Å
95L83.4Confident82.2Confident37 Ų3762.7 Ų62.719%0.19435%0.347CS..PPolyproline II helixtrans-65.3135.6174.1-75.7170000111L59 P86 K87 T89 E97 M98L59-L95 HydrophobicContact CD2-CD1 4.37Å; P86-L95 WeakPolarHBondContact O-CD1 3.44Å; K87-L95 PolarHBondContact O-N 3.45Å; T89-L95 HydrophobicContact CG2-CD2 3.64Å; T89-L95 HydrophobicContact CG2-CG 4.35Å; L95-E97 WeakPolarHBondContact CB-OE2 3.45Å; L95-E97 PolarHBondContact O-N 2.97Å; L95-M98 HydrophobicContact CB-CG 3.89Å; L95-M98 HydrophobicContact CD1-CE 4.07Å; L95-M98 VanDerWaalsContact O-CB 3.31Å; L95-M98 WeakPolarHBondContact O-CB 3.45Å; L95-M98 PolarHBondContact O-N 2.99Å
96Q79.7Confident82.5Confident166 Ų16668.1 Ų68.178%0.77637%0.366SS*.THydrogen-bonded Turntrans-62.4-30.4-179-68.1-176.1-9.100112M98 I99Q96-M98 PolarHBondContact O-N 3.21Å; Q96-I99 WeakPolarHBondContact O-CB 3.35Å; Q96-I99 WeakPolarHBondContact O-CG1 3.37Å; Q96-I99 PolarHBondContact O-N 3.18Å
97E81.5Confident82.9Confident69 Ų6970.9 Ų70.932%0.32237%0.372SS..THydrogen-bonded Turntrans-60.4-27.2175.7-61.987.3165.700112.5L59 I63 L95 I99 L100L59-E97 HydrophobicContact CD2-CB 4.4Å; I63-E97 HydrophobicContact CD1-CB 3.81Å; L95-E97 WeakPolarHBondContact CB-OE2 3.45Å; L95-E97 PolarHBondContact O-N 2.97Å; E97-I99 PolarHBondContact O-N 3.36Å; E97-L100 PolarHBondContact O-N 3.19Å
98M83.9Confident83.2Confident5 Ų570.3 Ų70.33%0.02537%0.37CS..Hα-helixtrans-68.8-19.6-178.9-61.9-66.7150.700112.8L59 V85 K87 L94 L95 Q96 L100 V101 C102 L132L59-M98 HydrophobicContact CD1-CE 4.43Å; L59-M98 HydrophobicContact CD2-CE 4.24Å; V85-M98 HydrophobicContact CG1-CE 4.3Å; K87-M98 HydrophobicContact CB-SD 4.48Å; K87-M98 HydrophobicContact CG-SD 4.16Å; L94-M98 HydrophobicContact CD1-CB 4.2Å; L94-M98 HydrophobicContact CD1-CG 4.24Å; L94-M98 HydrophobicContact CD2-CB 4.34Å; L94-M98 HydrophobicContact CG-CB 4.15Å; L94-M98 HydrophobicContact CG-CG 4.49Å; L95-M98 HydrophobicContact CB-CG 3.89Å; L95-M98 HydrophobicContact CD1-CE 4.07Å; L95-M98 VanDerWaalsContact O-CB 3.31Å; L95-M98 WeakPolarHBondContact O-CB 3.45Å; L95-M98 PolarHBondContact O-N 2.99Å; Q96-M98 PolarHBondContact O-N 3.21Å; M98-L100 VanDerWaalsContact C-N 3.3Å; M98-L100 PolarHBondContact O-N 3.34Å; M98-V101 WeakPolarHBondContact O-CB 3.16Å; M98-V101 PolarHBondContact O-N 2.89Å; M98-V101 VanDerWaalsContact O-N 3.17Å; M98-V101 HydrophobicContact SD-CG2 4.36Å; M98-C102 PolarHBondContact O-N 2.99Å; M98-L132 HydrophobicContact CB-CD2 3.77Å
99I81.9Confident83.6Confident117 Ų11767.2 Ų67.260%0.635%0.351SS*.Hα-helixtrans-61.7-41.4173.6-60.5173.2000110.6Q96 E97 V101 C102 D103Q96-I99 WeakPolarHBondContact O-CB 3.35Å; Q96-I99 WeakPolarHBondContact O-CG1 3.37Å; Q96-I99 PolarHBondContact O-N 3.18Å; E97-I99 PolarHBondContact O-N 3.36Å; I99-V101 VanDerWaalsContact C-N 3.28Å; I99-V101 PolarHBondContact O-N 2.97Å; I99-C102 WeakPolarHBondContact O-CB 3.21Å; I99-C102 PolarHBondContact O-N 3.26Å; I99-D103 PolarHBondContact O-N 3.21Å; I99-D103 VanDerWaalsContact O-N 3.13Å
100L83.4Confident84.2Confident89 Ų8970.4 Ų70.447%0.46636%0.363SS..Hα-helixtrans-67-34.5177.2-63.6173.1000111.4I63 E97 M98 D103 A104I63-L100 HydrophobicContact CG2-CB 4.09Å; I63-L100 HydrophobicContact CG2-CD1 3.9Å; E97-L100 PolarHBondContact O-N 3.19Å; M98-L100 VanDerWaalsContact C-N 3.3Å; M98-L100 PolarHBondContact O-N 3.34Å; L100-D103 PolarHBondContact O-N 3.3Å; L100-A104 PolarHBondContact O-N 2.92Å; L100-A104 VanDerWaalsContact O-N 3.13Å
101V84.7Confident85Confident2 Ų266 Ų661%0.01233%0.331CS..Hα-helixtrans-70.1-40.9177.3-174.70000110.6I63 W82 M98 I99 D103 A104 Y105I63-V101 HydrophobicContact CD1-CG2 4Å; I63-V101 HydrophobicContact CG1-CG2 4.19Å; W82-V101 HydrophobicContact CD2-CG1 3.93Å; W82-V101 HydrophobicContact CE3-CG1 4.14Å; W82-V101 HydrophobicContact CE3-CG2 4.36Å; W82-V101 HydrophobicContact CG-CG1 4.43Å; W82-V101 HydrophobicContact CH2-CG1 4.44Å; W82-V101 HydrophobicContact CH2-CG2 3.64Å; W82-V101 HydrophobicContact CZ2-CG1 4.22Å; W82-V101 HydrophobicContact CZ2-CG2 4.03Å; W82-V101 HydrophobicContact CZ3-CG1 4.38Å; W82-V101 HydrophobicContact CZ3-CG2 3.8Å; M98-V101 WeakPolarHBondContact O-CB 3.16Å; M98-V101 PolarHBondContact O-N 2.89Å; M98-V101 VanDerWaalsContact O-N 3.17Å; M98-V101 HydrophobicContact SD-CG2 4.36Å; I99-V101 VanDerWaalsContact C-N 3.28Å; I99-V101 PolarHBondContact O-N 2.97Å; V101-D103 PolarHBondContact O-N 3.48Å; V101-A104 WeakPolarHBondContact O-CB 3.33Å; V101-A104 PolarHBondContact O-N 2.91Å; V101-A104 VanDerWaalsContact O-N 3.15Å; V101-Y105 HydrophobicContact CG1-CD2 4.31Å; V101-Y105 HydrophobicContact CG1-CE1 3.79Å; V101-Y105 HydrophobicContact CG1-CE2 3.57Å; V101-Y105 WeakPolarHBondContact CG1-OH 3.49Å; V101-Y105 PolarHBondContact O-N 3.28Å
102C86.3Confident85.5Confident14 Ų1464.5 Ų64.510%0.09533%0.329CS..Hα-helixtrans-57.6-45.3171.7-83.10000112.6M98 I99 A104 Y105 R106 L132 L136M98-C102 PolarHBondContact O-N 2.99Å; I99-C102 WeakPolarHBondContact O-CB 3.21Å; I99-C102 PolarHBondContact O-N 3.26Å; C102-A104 VanDerWaalsContact C-N 3.28Å; C102-A104 PolarHBondContact O-N 3.45Å; C102-Y105 PolarHBondContact O-N 3.3Å; C102-R106 PolarHBondContact O-N 3.46Å; C102-L132 WeakPolarHBondContact SG-CD2 3.48Å; C102-L136 WeakPolarHBondContact O-CD2 3.42Å
103D87Confident86.2Confident73 Ų7364.4 Ų64.439%0.3932%0.316SS..Hα-helixtrans-61.7-38.1176.2-177.962.9000111.8I99 L100 V101 R106 K107I99-D103 PolarHBondContact O-N 3.21Å; I99-D103 VanDerWaalsContact O-N 3.13Å; L100-D103 PolarHBondContact O-N 3.3Å; V101-D103 PolarHBondContact O-N 3.48Å; D103-R106 PolarHBondContact O-N 3.5Å; D103-K107 WeakPolarHBondContact O-CG 3.23Å; D103-K107 PolarHBondContact O-N 3.07Å; D103-K107 VanDerWaalsContact OD2-CE 3.23Å; D103-K107 WeakPolarHBondContact OD2-CE 3.35Å; D103-K107 IonicContact OD2-NZ 2.65Å; D103-K107 PolarHBondContact OD2-NZ 2.73Å
104A87Confident86.6Confident12 Ų1259.4 Ų59.410%0.09930%0.295CS..Hα-helixtrans-65.2-42.2174.100000112.5L67 L100 V101 C102 R106 K107 D108L67-A104 HydrophobicContact CD1-CB 3.83Å; L67-A104 HydrophobicContact CD2-CB 3.75Å; L67-A104 HydrophobicContact CG-CB 3.91Å; L100-A104 PolarHBondContact O-N 2.92Å; L100-A104 VanDerWaalsContact O-N 3.13Å; V101-A104 WeakPolarHBondContact O-CB 3.33Å; V101-A104 PolarHBondContact O-N 2.91Å; V101-A104 VanDerWaalsContact O-N 3.15Å; C102-A104 VanDerWaalsContact C-N 3.28Å; C102-A104 PolarHBondContact O-N 3.45Å; A104-R106 VanDerWaalsContact C-N 3.34Å; A104-R106 PolarHBondContact O-N 2.95Å; A104-K107 PolarHBondContact O-N 2.99Å; A104-D108 WeakPolarHBondContact O-CB 3.38Å; A104-D108 PolarHBondContact O-N 3.42Å
105Y88.8Confident86.9Confident9 Ų962.6 Ų62.64%0.03531%0.307CS..Hα-helixtrans-62.3-41.4174.3-62.3-28.5000112.1W82 V101 C102 K107 D108 L109 F123 L136W82-Y105 WeakPolarHBondContact CB-OH 3.3Å; W82-Y105 AromaticContact CD1-CE1 3.78Å; W82-Y105 AromaticContact CD1-CZ 3.97Å; W82-Y105 VanDerWaalsContact CD1-OH 3.25Å; W82-Y105 HydrophobicContact CG-CE1 4.33Å; V101-Y105 HydrophobicContact CG1-CD2 4.31Å; V101-Y105 HydrophobicContact CG1-CE1 3.79Å; V101-Y105 HydrophobicContact CG1-CE2 3.57Å; V101-Y105 WeakPolarHBondContact CG1-OH 3.49Å; V101-Y105 PolarHBondContact O-N 3.28Å; C102-Y105 PolarHBondContact O-N 3.3Å; Y105-K107 VanDerWaalsContact C-N 3.32Å; Y105-K107 PolarHBondContact O-N 3.47Å; Y105-D108 PolarHBondContact O-N 3.18Å; Y105-L109 WeakPolarHBondContact O-CB 3.32Å; Y105-L109 VanDerWaalsContact O-CG 3.3Å; Y105-L109 WeakPolarHBondContact O-CG 3.42Å; Y105-L109 PolarHBondContact O-N 3.16Å; Y105-F123 HydrophobicContact CE1-CD1 4.43Å; Y105-F123 AromaticContact CE1-CE1 3.9Å; Y105-F123 HydrophobicContact CE1-CE1 3.9Å; Y105-F123 AromaticContact CE2-CE1 3.83Å; Y105-F123 HydrophobicContact CE2-CE1 3.83Å; Y105-F123 AromaticContact CZ-CE1 3.43Å; Y105-F123 VanDerWaalsContact CZ-CE1 3.43Å; Y105-F123 WeakPolarHBondContact OH-CE1 3.44Å; Y105-F123 WeakPolarHBondContact OH-CZ 3.14Å; Y105-L136 HydrophobicContact CD2-CD1 4.09Å
106R90.6Very high87.1Confident125 Ų12561.4 Ų61.447%0.47230%0.301SS..Hα-helixtrans-59.1-44.7175.4-174.7179.5174.8172.51.1111.3C102 D103 A104 L109 Q110 L136 A139C102-R106 PolarHBondContact O-N 3.46Å; D103-R106 PolarHBondContact O-N 3.5Å; A104-R106 VanDerWaalsContact C-N 3.34Å; A104-R106 PolarHBondContact O-N 2.95Å; R106-L109 PolarHBondContact O-N 3.25Å; R106-Q110 WeakPolarHBondContact O-CG 3.41Å; R106-Q110 PolarHBondContact O-N 2.97Å; R106-L136 HydrophobicContact CB-CD2 3.83Å; R106-A139 HydrophobicContact CG-CB 4.41Å
107K89.5Confident87.7Confident121 Ų12155.3 Ų55.353%0.52627%0.271SS..Hα-helixtrans-63.7-41.7174.9-74.4168.8178.3160.20112D103 A104 Y105 Q110 H111D103-K107 WeakPolarHBondContact O-CG 3.23Å; D103-K107 PolarHBondContact O-N 3.07Å; D103-K107 VanDerWaalsContact OD2-CE 3.23Å; D103-K107 WeakPolarHBondContact OD2-CE 3.35Å; D103-K107 IonicContact OD2-NZ 2.65Å; D103-K107 PolarHBondContact OD2-NZ 2.73Å; A104-K107 PolarHBondContact O-N 2.99Å; Y105-K107 VanDerWaalsContact C-N 3.32Å; Y105-K107 PolarHBondContact O-N 3.47Å; K107-Q110 CarbonylContact O-C 3.33Å; K107-Q110 WeakPolarHBondContact O-CA 3.48Å; K107-Q110 PolarHBondContact O-N 3.19Å; K107-Q110 VanDerWaalsContact O-N 3.07Å; K107-H111 PolarHBondContact O-N 2.88Å
108D89.7Confident88.1Confident13 Ų1352 Ų527%0.0726%0.255CS..Hα-helixtrans-67.6-35.3179.2-75.2-7.1000112.1K75 A104 Y105 Q110 H111 I116 R117 T120K75-D108 IonicContact NZ-OD1 2.74Å; K75-D108 PolarHBondContact NZ-OD1 3Å; K75-D108 IonicContact NZ-OD2 2.74Å; K75-D108 PolarHBondContact NZ-OD2 3.41Å; A104-D108 WeakPolarHBondContact O-CB 3.38Å; A104-D108 PolarHBondContact O-N 3.42Å; Y105-D108 PolarHBondContact O-N 3.18Å; D108-Q110 PolarHBondContact O-N 3.48Å; D108-H111 WeakPolarHBondContact O-CB 3.4Å; D108-H111 PolarHBondContact O-N 3.41Å; D108-I116 HydrophobicContact CB-CG2 4.02Å; D108-R117 WeakPolarHBondContact O-CG 3.38Å; D108-T120 HydrophobicContact CB-CG2 4.43Å
109L91.6Very high88.4Confident0 Ų052.9 Ų52.90%026%0.262CS..Hα-helixtrans-66.5-24.6170.8-71.4174.4000113Y105 R106 R117 T120 L121 L124 L136 A139 I140Y105-L109 WeakPolarHBondContact O-CB 3.32Å; Y105-L109 VanDerWaalsContact O-CG 3.3Å; Y105-L109 WeakPolarHBondContact O-CG 3.42Å; Y105-L109 PolarHBondContact O-N 3.16Å; R106-L109 PolarHBondContact O-N 3.25Å; L109-R117 VanDerWaalsContact O-CD 3.22Å; L109-R117 WeakPolarHBondContact O-CD 3.49Å; L109-R117 WeakPolarHBondContact O-CG 3.36Å; L109-R117 PolarHBondContact O-NE 3.33Å; L109-R117 PolarHBondContact O-NH1 2.81Å; L109-T120 HydrophobicContact CD2-CG2 3.91Å; L109-T120 HydrophobicContact CG-CG2 4.05Å; L109-L121 HydrophobicContact CD2-CD2 3.63Å; L109-L121 HydrophobicContact CD2-CG 3.74Å; L109-L124 HydrophobicContact CD1-CD1 3.99Å; L109-L124 HydrophobicContact CD2-CD1 4.07Å; L109-L124 HydrophobicContact CG-CD1 4.46Å; L109-L136 HydrophobicContact CD1-CB 4.36Å; L109-A139 HydrophobicContact CB-CB 4.03Å; L109-A139 HydrophobicContact CD1-CB 3.77Å; L109-I140 HydrophobicContact CD1-CG1 3.88Å
110Q91.9Very high88.8Confident105 Ų10547.3 Ų47.349%0.49123%0.234SC..THydrogen-bonded Turntrans-99.54.5176.9-65.7179.7-6.500113R106 K107 D108 R117R106-Q110 WeakPolarHBondContact O-CG 3.41Å; R106-Q110 PolarHBondContact O-N 2.97Å; K107-Q110 CarbonylContact O-C 3.33Å; K107-Q110 WeakPolarHBondContact O-CA 3.48Å; K107-Q110 PolarHBondContact O-N 3.19Å; K107-Q110 VanDerWaalsContact O-N 3.07Å; D108-Q110 PolarHBondContact O-N 3.48Å; Q110-R117 PolarHBondContact O-NH2 2.84Å
111H89.8Confident89.3Confident38 Ų3843.1 Ų43.118%0.17621%0.211CC..  trans-68.1143.5-174.9-169.3-85.6000111.8Q70 K107 D108 N113 I116 R117Q70-H111 PolarHBondContact OE1-NE2 3.45Å; K107-H111 PolarHBondContact O-N 2.88Å; D108-H111 WeakPolarHBondContact O-CB 3.4Å; D108-H111 PolarHBondContact O-N 3.41Å; H111-N113 WeakPolarHBondContact ND1-CB 3.39Å; H111-N113 PolarHBondContact ND1-N 3.35Å; H111-N113 PolarHBondContact O-N 3.01Å; H111-I116 HydrophobicContact CB-CG2 4.28Å; H111-R117 VanDerWaalsContact O-CZ 3.29Å; H111-R117 PolarHBondContact O-NE 3.34Å; H111-R117 PolarHBondContact O-NH2 2.83Å; H111-R117 VanDerWaalsContact O-NH2 3.11Å
112P87Confident89.6Confident112 Ų11248.4 Ų48.473%0.72723%0.231SC*.SBendtrans-60.5-30.4179.721.6-33.9000114
113N89Confident89.8Confident52 Ų5248.2 Ų48.228%0.27823%0.229SC..  trans-77.1120.4177.9-172.6-28.1000112.6H111 F115 I116 R117H111-N113 WeakPolarHBondContact ND1-CB 3.39Å; H111-N113 PolarHBondContact ND1-N 3.35Å; H111-N113 PolarHBondContact O-N 3.01Å; N113-F115 VanDerWaalsContact C-N 3.35Å; N113-F115 PolarHBondContact O-N 2.87Å; N113-F115 WeakPolarHBondContact OD1-CB 3.47Å; N113-F115 WeakPolarHBondContact OD1-CD2 3.46Å; N113-F115 PolarHBondContact OD1-N 3.3Å; N113-I116 HydrophobicContact CB-CB 4.45Å; N113-I116 HydrophobicContact CB-CD1 4.1Å; N113-I116 HydrophobicContact CB-CG1 4.2Å; N113-I116 PolarHBondContact O-N 2.71Å; N113-R117 PolarHBondContact O-N 2.86Å
114E89.9Confident90Very high49 Ų4944.8 Ų44.823%0.22921%0.21CC..Hα-helixtrans-64.7-30.9179.966.4-85.2-156.200114.3G118 H148 V151E114-G118 PolarHBondContact O-N 3.25Å; E114-H148 HydrophobicContact CB-CB 4.33Å; E114-V151 HydrophobicContact CB-CG2 3.72Å
115F88.2Confident90.1Very high106 Ų10645.4 Ų45.447%0.46521%0.214SC..Hα-helixtrans-72.1-35.4-179.9-64.5-75.7000111.8N113 S119 Y150N113-F115 VanDerWaalsContact C-N 3.35Å; N113-F115 PolarHBondContact O-N 2.87Å; N113-F115 WeakPolarHBondContact OD1-CB 3.47Å; N113-F115 WeakPolarHBondContact OD1-CD2 3.46Å; N113-F115 PolarHBondContact OD1-N 3.3Å; F115-S119 VanDerWaalsContact O-CB 3.27Å; F115-S119 WeakPolarHBondContact O-CB 3.42Å; F115-S119 PolarHBondContact O-N 2.86Å; F115-S119 PolarHBondContact O-OG 3.22Å; F115-Y150 HydrophobicContact CD1-CE1 4.28Å
116I87.9Confident90.1Very high13 Ų1350.4 Ų50.47%0.06724%0.236CC..Hα-helixtrans-66.4-52.5174.5-64.1-179.8000108.6D108 H111 N113 G118 S119 T120D108-I116 HydrophobicContact CB-CG2 4.02Å; H111-I116 HydrophobicContact CB-CG2 4.28Å; N113-I116 HydrophobicContact CB-CB 4.45Å; N113-I116 HydrophobicContact CB-CD1 4.1Å; N113-I116 HydrophobicContact CB-CG1 4.2Å; N113-I116 PolarHBondContact O-N 2.71Å; I116-G118 PolarHBondContact O-N 2.95Å; I116-S119 PolarHBondContact O-N 3.3Å; I116-T120 PolarHBondContact O-N 2.86Å; I116-T120 PolarHBondContact O-OG1 3.39Å
117R91.4Very high89.9Confident37 Ų3744.8 Ų44.814%0.1422%0.215CC..Hα-helixtrans-52.7-51.9175.7-66.6-169.6-173-132.96.5112.5D108 L109 Q110 H111 N113 S119 T120 L121 V151D108-R117 WeakPolarHBondContact O-CG 3.38Å; L109-R117 VanDerWaalsContact O-CD 3.22Å; L109-R117 WeakPolarHBondContact O-CD 3.49Å; L109-R117 WeakPolarHBondContact O-CG 3.36Å; L109-R117 PolarHBondContact O-NE 3.33Å; L109-R117 PolarHBondContact O-NH1 2.81Å; Q110-R117 PolarHBondContact O-NH2 2.84Å; H111-R117 VanDerWaalsContact O-CZ 3.29Å; H111-R117 PolarHBondContact O-NE 3.34Å; H111-R117 PolarHBondContact O-NH2 2.83Å; H111-R117 VanDerWaalsContact O-NH2 3.11Å; N113-R117 PolarHBondContact O-N 2.86Å; R117-S119 VanDerWaalsContact C-N 3.34Å; R117-S119 PolarHBondContact O-N 3.14Å; R117-T120 PolarHBondContact O-N 3.39Å; R117-L121 VanDerWaalsContact O-CG 3.3Å; R117-L121 WeakPolarHBondContact O-CG 3.37Å; R117-L121 PolarHBondContact O-N 2.83Å; R117-V151 HydrophobicContact CB-CG1 4.11Å; R117-V151 HydrophobicContact CB-CG2 4.1Å
118G90.6Very high89.6Confident0 Ų047 Ų470%022%0.224CC..Hα-helixtrans-67.8-30.8-177.600000113.8E114 I116 R122E114-G118 PolarHBondContact O-N 3.25Å; I116-G118 PolarHBondContact O-N 2.95Å; G118-R122 WeakPolarHBondContact O-CG 3.47Å; G118-R122 PolarHBondContact O-N 2.77Å; G118-R122 VanDerWaalsContact O-N 3.16Å; G118-R122 PolarHBondContact O-NE 2.85Å
119S90.1Very high89.4Confident23 Ų2348.5 Ų48.516%0.16123%0.231CC..Hα-helixtrans-72.6-40.4173.8-58.60000111.5F115 I116 R117 R122 F123F115-S119 VanDerWaalsContact O-CB 3.27Å; F115-S119 WeakPolarHBondContact O-CB 3.42Å; F115-S119 PolarHBondContact O-N 2.86Å; F115-S119 PolarHBondContact O-OG 3.22Å; I116-S119 PolarHBondContact O-N 3.3Å; R117-S119 VanDerWaalsContact C-N 3.34Å; R117-S119 PolarHBondContact O-N 3.14Å; S119-R122 PolarHBondContact O-N 3.3Å; S119-R122 PolarHBondContact OG-NH2 2.84Å; S119-R122 VanDerWaalsContact OG-NH2 3.12Å; S119-F123 PolarHBondContact O-N 3.41Å
120T91.4Very high89.1Confident1 Ų150.4 Ų50.41%0.00625%0.245CC..Hα-helixtrans-61.1-47.3172.4-55.40000110.8D108 L109 I116 R117 R122 F123 L124D108-T120 HydrophobicContact CB-CG2 4.43Å; L109-T120 HydrophobicContact CD2-CG2 3.91Å; L109-T120 HydrophobicContact CG-CG2 4.05Å; I116-T120 PolarHBondContact O-N 2.86Å; I116-T120 PolarHBondContact O-OG1 3.39Å; R117-T120 PolarHBondContact O-N 3.39Å; T120-R122 VanDerWaalsContact C-N 3.32Å; T120-R122 PolarHBondContact O-N 2.79Å; T120-F123 CarbonylContact O-C 3.52Å; T120-F123 WeakPolarHBondContact O-CA 3.3Å; T120-F123 WeakPolarHBondContact O-CB 3.46Å; T120-F123 PolarHBondContact O-N 2.64Å; T120-L124 HydrophobicContact CG2-CG 4.48Å; T120-L124 WeakPolarHBondContact O-CG 3.22Å; T120-L124 PolarHBondContact O-N 3.47Å
121L93.3Very high88.8Confident0 Ų051.4 Ų51.40%025%0.249CC..Hα-helixtrans-57.7-40.8176.9-73.1165.6000113L109 R117 L124 C125 I140 C143 V151 N154 A155 A158L109-L121 HydrophobicContact CD2-CD2 3.63Å; L109-L121 HydrophobicContact CD2-CG 3.74Å; R117-L121 VanDerWaalsContact O-CG 3.3Å; R117-L121 WeakPolarHBondContact O-CG 3.37Å; R117-L121 PolarHBondContact O-N 2.83Å; L121-L124 HydrophobicContact CD2-CD1 4.49Å; L121-L124 PolarHBondContact O-N 3.13Å; L121-C125 PolarHBondContact O-N 3.37Å; L121-C125 PolarHBondContact O-SG 3.27Å; L121-I140 HydrophobicContact CD2-CG1 4.34Å; L121-I140 HydrophobicContact CD2-CG2 4.11Å; L121-C143 HydrophobicContact CD1-CB 4.09Å; L121-V151 HydrophobicContact CD1-CG1 3.87Å; L121-N154 HydrophobicContact CB-CB 3.91Å; L121-N154 HydrophobicContact CD1-CB 4.13Å; L121-A155 HydrophobicContact CD1-CB 3.96Å; L121-A155 HydrophobicContact CD2-CB 4.35Å; L121-A158 HydrophobicContact CD2-CB 4.15Å
122R91.4Very high88.6Confident114 Ų11449.9 Ų49.943%0.4324%0.242SC..Hα-helixtrans-65.6-38.9174-74.3-177.3-65-179.92.3112.4G118 S119 T120 C125 Y150 N154G118-R122 WeakPolarHBondContact O-CG 3.47Å; G118-R122 PolarHBondContact O-N 2.77Å; G118-R122 VanDerWaalsContact O-N 3.16Å; G118-R122 PolarHBondContact O-NE 2.85Å; S119-R122 PolarHBondContact O-N 3.3Å; S119-R122 PolarHBondContact OG-NH2 2.84Å; S119-R122 VanDerWaalsContact OG-NH2 3.12Å; T120-R122 VanDerWaalsContact C-N 3.32Å; T120-R122 PolarHBondContact O-N 2.79Å; R122-C125 WeakPolarHBondContact O-CB 3.34Å; R122-C125 PolarHBondContact O-N 3.3Å; R122-Y150 VanDerWaalsContact CZ-OH 3.3Å; R122-Y150 PolarHBondContact NH2-OH 2.76Å; R122-N154 WeakPolarHBondContact CG-OD1 3.44Å
123F90.5Very high88.7Confident9 Ų944.6 Ų44.64%0.03921%0.208CC..Hα-helixtrans-63.6-41.7175166.5-100.3000111.7L79 W82 E83 Y105 S119 T120 C125 K126 L127L79-F123 HydrophobicContact CB-CB 4.46Å; L79-F123 HydrophobicContact CB-CD2 4.39Å; L79-F123 HydrophobicContact CB-CG 4.42Å; L79-F123 HydrophobicContact CD2-CB 4.01Å; L79-F123 HydrophobicContact CD2-CD1 3.95Å; L79-F123 HydrophobicContact CD2-CG 3.9Å; L79-F123 VanDerWaalsContact O-CD2 3.28Å; L79-F123 WeakPolarHBondContact O-CD2 3.4Å; L79-F123 WeakPolarHBondContact O-CE2 3.45Å; W82-F123 HydrophobicContact CB-CE1 4.37Å; W82-F123 HydrophobicContact CB-CE2 3.88Å; W82-F123 HydrophobicContact CB-CZ 3.5Å; E83-F123 HydrophobicContact CB-CD2 4.48Å; E83-F123 HydrophobicContact CB-CE2 4Å; Y105-F123 HydrophobicContact CE1-CD1 4.43Å; Y105-F123 AromaticContact CE1-CE1 3.9Å; Y105-F123 HydrophobicContact CE1-CE1 3.9Å; Y105-F123 AromaticContact CE2-CE1 3.83Å; Y105-F123 HydrophobicContact CE2-CE1 3.83Å; Y105-F123 AromaticContact CZ-CE1 3.43Å; Y105-F123 VanDerWaalsContact CZ-CE1 3.43Å; Y105-F123 WeakPolarHBondContact OH-CE1 3.44Å; Y105-F123 WeakPolarHBondContact OH-CZ 3.14Å; S119-F123 PolarHBondContact O-N 3.41Å; T120-F123 CarbonylContact O-C 3.52Å; T120-F123 WeakPolarHBondContact O-CA 3.3Å; T120-F123 WeakPolarHBondContact O-CB 3.46Å; T120-F123 PolarHBondContact O-N 2.64Å; F123-C125 PolarHBondContact O-N 3.08Å; F123-C125 VanDerWaalsContact O-N 3.17Å; F123-K126 WeakPolarHBondContact O-CB 3.22Å; F123-K126 PolarHBondContact O-N 3.3Å; F123-L127 HydrophobicContact CE1-CD1 3.99Å; F123-L127 HydrophobicContact CE1-CD2 3.99Å; F123-L127 HydrophobicContact CE1-CG 4.07Å; F123-L127 HydrophobicContact CE2-CD2 4.45Å; F123-L127 HydrophobicContact CZ-CD2 3.68Å; F123-L127 HydrophobicContact CZ-CG 4.19Å
124L90.6Very high88.7Confident1 Ų148.1 Ų48.11%0.00522%0.223CC..Hα-helixtrans-60.2-27.6178.2-63.9177.2000113.2L109 T120 L121 K126 L127 L133 L136 I140L109-L124 HydrophobicContact CD1-CD1 3.99Å; L109-L124 HydrophobicContact CD2-CD1 4.07Å; L109-L124 HydrophobicContact CG-CD1 4.46Å; T120-L124 HydrophobicContact CG2-CG 4.48Å; T120-L124 WeakPolarHBondContact O-CG 3.22Å; T120-L124 PolarHBondContact O-N 3.47Å; L121-L124 HydrophobicContact CD2-CD1 4.49Å; L121-L124 PolarHBondContact O-N 3.13Å; L124-K126 PolarHBondContact O-N 2.95Å; L124-K126 VanDerWaalsContact O-N 3.14Å; L124-L127 HydrophobicContact CD2-CD1 3.55Å; L124-L127 PolarHBondContact O-N 3.46Å; L124-L133 HydrophobicContact CB-CD2 4.41Å; L124-L133 HydrophobicContact CD2-CD2 4.27Å; L124-L136 HydrophobicContact CD1-CD1 4.49Å; L124-L136 HydrophobicContact CD2-CD1 3.71Å; L124-I140 HydrophobicContact CD1-CD1 3.75Å; L124-I140 HydrophobicContact CD1-CG1 3.91Å
125C89.6Confident88.7Confident26 Ų2649.1 Ų49.118%0.17623%0.234CC..THydrogen-bonded Turntrans-62.3-18.3174.3-56.70000112.9L121 R122 F123 A158 T161L121-C125 PolarHBondContact O-N 3.37Å; L121-C125 PolarHBondContact O-SG 3.27Å; R122-C125 WeakPolarHBondContact O-CB 3.34Å; R122-C125 PolarHBondContact O-N 3.3Å; F123-C125 PolarHBondContact O-N 3.08Å; F123-C125 VanDerWaalsContact O-N 3.17Å; C125-A158 VanDerWaalsContact SG-CA 3.51Å; C125-T161 HydrophobicContact CB-CG2 4.16Å; C125-T161 VanDerWaalsContact O-CG2 3.28Å; C125-T161 WeakPolarHBondContact O-CG2 3.42Å
126K88Confident88.9Confident113 Ų11344.2 Ų44.249%0.49121%0.212SC..THydrogen-bonded Turntrans-99.7-9.6-177.6-56.4-172.4176.7-172.60113.7E83 F123 L124E83-K126 HydrophobicContact CG-CD 4.13Å; E83-K126 WeakPolarHBondContact OE1-CD 3.41Å; E83-K126 IonicContact OE1-NZ 3.35Å; E83-K126 PolarHBondContact OE1-NZ 3.44Å; E83-K126 VanDerWaalsContact OE2-CD 3.27Å; E83-K126 WeakPolarHBondContact OE2-CD 3.33Å; E83-K126 IonicContact OE2-NZ 3.93Å; E83-K126 PolarHBondContact OE2-NZ 3.4Å; F123-K126 WeakPolarHBondContact O-CB 3.22Å; F123-K126 PolarHBondContact O-N 3.3Å; L124-K126 PolarHBondContact O-N 2.95Å; L124-K126 VanDerWaalsContact O-N 3.14Å
127L85.9Confident89.1Confident8 Ų844.1 Ų44.14%0.04221%0.212CC..  trans-73.3139.6178.3-69.5-180000110.6F123 L124 L133F123-L127 HydrophobicContact CE1-CD1 3.99Å; F123-L127 HydrophobicContact CE1-CD2 3.99Å; F123-L127 HydrophobicContact CE1-CG 4.07Å; F123-L127 HydrophobicContact CE2-CD2 4.45Å; F123-L127 HydrophobicContact CZ-CD2 3.68Å; F123-L127 HydrophobicContact CZ-CG 4.19Å; L124-L127 HydrophobicContact CD2-CD1 3.55Å; L124-L127 PolarHBondContact O-N 3.46Å; L127-L133 HydrophobicContact CB-CD1 4.48Å; L127-L133 HydrophobicContact CB-CD2 4.22Å; L127-L133 HydrophobicContact CB-CG 4.42Å; L127-L133 HydrophobicContact CD1-CD2 4.04Å
128K82.7Confident89.1Confident166 Ų16646.5 Ų46.572%0.72223%0.232SC*.  trans-113.3-4.2-177.8-64-175.4-179.2-179.90112.7F166K128-F166 WeakPolarHBondContact O-CZ 3.3Å
129E86.9Confident89.2Confident46 Ų4646.8 Ų46.822%0.21523%0.234CC..  trans-98.1111.9-175.8-59.676.3-170.400110.1K87 E131 L132K87-E129 HydrophobicContact CB-CG 4.29Å; E129-E131 VanDerWaalsContact C-N 3.33Å; E129-E131 PolarHBondContact O-N 2.91Å; E129-L132 HydrophobicContact CB-CB 4.41Å; E129-L132 HydrophobicContact CB-CD1 3.96Å; E129-L132 HydrophobicContact CB-CG 4.06Å; E129-L132 HydrophobicContact CG-CD1 4.38Å; E129-L132 PolarHBondContact O-N 3Å
130S85.8Confident89.4Confident40 Ų4045.7 Ų45.728%0.2823%0.227SC..Hα-helixtrans-62.8-37.7-178.855.90000112.9L132 L133 E134S130-L132 PolarHBondContact O-N 3.5Å; S130-L133 PolarHBondContact O-N 2.94Å; S130-L133 VanDerWaalsContact O-N 3.08Å; S130-E134 PolarHBondContact O-N 3.06Å
131E85.1Confident89.5Confident125 Ų12549.5 Ų49.558%0.58424%0.241SC*.Hα-helixtrans-60.4-28.8179.2-64.8-178.1-168.300113.2L94 E129 P135L94-E131 HydrophobicContact CD2-CB 4.33Å; E129-E131 VanDerWaalsContact C-N 3.33Å; E129-E131 PolarHBondContact O-N 2.91Å; E131-P135 VanDerWaalsContact O-CD 3.24Å; E131-P135 WeakPolarHBondContact O-CD 3.36Å
132L86.1Confident89.5Confident6 Ų652.2 Ų52.23%0.03126%0.263CS..Hα-helixtrans-81.6-29.7176.9-65.6179.7000112.6K87 L94 M98 C102 E129 S130 L136K87-L132 HydrophobicContact CB-CD1 4.48Å; K87-L132 HydrophobicContact CG-CD1 4.24Å; L94-L132 HydrophobicContact CD1-CD1 4.04Å; L94-L132 HydrophobicContact CD1-CD2 3.81Å; L94-L132 HydrophobicContact CD1-CG 3.85Å; L94-L132 HydrophobicContact CD2-CD2 3.58Å; L94-L132 HydrophobicContact CD2-CG 4.22Å; L94-L132 HydrophobicContact CG-CD2 4.24Å; M98-L132 HydrophobicContact CB-CD2 3.77Å; C102-L132 WeakPolarHBondContact SG-CD2 3.48Å; E129-L132 HydrophobicContact CB-CB 4.41Å; E129-L132 HydrophobicContact CB-CD1 3.96Å; E129-L132 HydrophobicContact CB-CG 4.06Å; E129-L132 HydrophobicContact CG-CD1 4.38Å; E129-L132 PolarHBondContact O-N 3Å; S130-L132 PolarHBondContact O-N 3.5Å; L132-L136 WeakPolarHBondContact O-CD1 3.41Å; L132-L136 WeakPolarHBondContact O-CG 3.46Å
133L88.3Confident89.6Confident1 Ų146.8 Ų46.81%0.00524%0.243CC..Hα-helixtrans-82.4-37.6-176.4-70.5171.2000112L124 L127 S130 L136 M137 I162 F166 L169L124-L133 HydrophobicContact CB-CD2 4.41Å; L124-L133 HydrophobicContact CD2-CD2 4.27Å; L127-L133 HydrophobicContact CB-CD1 4.48Å; L127-L133 HydrophobicContact CB-CD2 4.22Å; L127-L133 HydrophobicContact CB-CG 4.42Å; L127-L133 HydrophobicContact CD1-CD2 4.04Å; S130-L133 PolarHBondContact O-N 2.94Å; S130-L133 VanDerWaalsContact O-N 3.08Å; L133-L136 WeakPolarHBondContact O-CA 3.35Å; L133-L136 WeakPolarHBondContact O-CB 3.32Å; L133-L136 PolarHBondContact O-N 3.31Å; L133-M137 WeakPolarHBondContact O-CG 3.28Å; L133-M137 PolarHBondContact O-N 3.49Å; L133-I162 HydrophobicContact CD1-CG1 4.24Å; L133-I162 HydrophobicContact CD2-CD1 4.16Å; L133-I162 HydrophobicContact CD2-CG1 4.44Å; L133-F166 HydrophobicContact CD1-CD2 3.87Å; L133-F166 HydrophobicContact CD1-CE2 3.81Å; L133-L169 HydrophobicContact CB-CD1 4.06Å
134E88.9Confident89.7Confident126 Ų12646.8 Ų46.859%0.58924%0.243SC*.G310 helixtrans-51.5-48.1-177.5-175-179.4-177.500113.2S130 L136 M137 L169S130-E134 PolarHBondContact O-N 3.06Å; E134-L136 PolarHBondContact O-N 3.31Å; E134-M137 PolarHBondContact O-N 2.99Å; E134-L169 HydrophobicContact CB-CD2 3.87Å; E134-L169 HydrophobicContact CG-CD2 4.13Å
135P90.4Very high89.7Confident71 Ų7155.3 Ų55.346%0.46128%0.283SS..G310 helixtrans-68.5-19.5178.8-19.133.7000114.1E131E131-P135 VanDerWaalsContact O-CD 3.24Å; E131-P135 WeakPolarHBondContact O-CD 3.36Å
136L92.1Very high89.9Confident2 Ų255.5 Ų55.51%0.0128%0.281CS..G310 helixtrans-89.2-17.7-177.1-58.6178.9000112.5C102 Y105 R106 L109 L124 L132 L133 E134 P138 A139 I140C102-L136 WeakPolarHBondContact O-CD2 3.42Å; Y105-L136 HydrophobicContact CD2-CD1 4.09Å; R106-L136 HydrophobicContact CB-CD2 3.83Å; L109-L136 HydrophobicContact CD1-CB 4.36Å; L124-L136 HydrophobicContact CD1-CD1 4.49Å; L124-L136 HydrophobicContact CD2-CD1 3.71Å; L132-L136 WeakPolarHBondContact O-CD1 3.41Å; L132-L136 WeakPolarHBondContact O-CG 3.46Å; L133-L136 WeakPolarHBondContact O-CA 3.35Å; L133-L136 WeakPolarHBondContact O-CB 3.32Å; L133-L136 PolarHBondContact O-N 3.31Å; E134-L136 PolarHBondContact O-N 3.31Å; L136-P138 VanDerWaalsContact C-CD 3.48Å; L136-A139 WeakPolarHBondContact O-CB 3.4Å; L136-A139 PolarHBondContact O-N 2.76Å; L136-I140 HydrophobicContact CB-CD1 4.18Å; L136-I140 WeakPolarHBondContact O-CG1 3.37Å; L136-I140 PolarHBondContact O-N 3.37Å
137M91.1Very high90Very high11 Ų1160.6 Ų60.65%0.05430%0.297CS..Hα-helixtrans-50.9-44.6-175.9-66.7-53.6-58.300114.1L133 E134 A139 I140 R141 I162 I170L133-M137 WeakPolarHBondContact O-CG 3.28Å; L133-M137 PolarHBondContact O-N 3.49Å; E134-M137 PolarHBondContact O-N 2.99Å; M137-A139 VanDerWaalsContact C-N 3.31Å; M137-A139 PolarHBondContact O-N 3.07Å; M137-I140 PolarHBondContact O-N 3.41Å; M137-I140 HydrophobicContact SD-CD1 4.11Å; M137-R141 WeakPolarHBondContact O-CG 3.34Å; M137-R141 PolarHBondContact O-N 3.22Å; M137-I162 HydrophobicContact CE-CG2 4.44Å; M137-I162 HydrophobicContact SD-CD1 4.16Å; M137-I162 HydrophobicContact SD-CG2 4.07Å; M137-I170 HydrophobicContact CE-CB 3.77Å; M137-I170 HydrophobicContact CE-CD1 3.62Å; M137-I170 HydrophobicContact CE-CG1 4.25Å; M137-I170 HydrophobicContact CE-CG2 4.08Å
138P92.4Very high90.4Very high88 Ų8863.9 Ų63.957%0.57131%0.312SS*.Hα-helixtrans-62.2-36.7177.6-23.335.1000113.2L136 A142L136-P138 VanDerWaalsContact C-CD 3.48Å; P138-A142 PolarHBondContact O-N 2.99Å; P138-A142 VanDerWaalsContact O-N 3.11Å
139A93.5Very high90.8Very high6 Ų657.9 Ų57.95%0.0529%0.291CS..Hα-helixtrans-72.2-37.5178.200000111.8R106 L109 L136 M137 A142 C143R106-A139 HydrophobicContact CG-CB 4.41Å; L109-A139 HydrophobicContact CB-CB 4.03Å; L109-A139 HydrophobicContact CD1-CB 3.77Å; L136-A139 WeakPolarHBondContact O-CB 3.4Å; L136-A139 PolarHBondContact O-N 2.76Å; M137-A139 VanDerWaalsContact C-N 3.31Å; M137-A139 PolarHBondContact O-N 3.07Å; A139-A142 PolarHBondContact O-N 2.92Å; A139-C143 PolarHBondContact O-N 3.03Å; A139-C143 PolarHBondContact O-SG 3.19Å; A139-C143 VanDerWaalsContact O-SG 3.35Å
140I93.6Very high91.1Very high0 Ų058.1 Ų58.10%029%0.29CS..Hα-helixtrans-64.1-44.5175.1-60.9168.7000110.4L109 L121 L124 L136 M137 A142 C143 I159 I162L109-I140 HydrophobicContact CD1-CG1 3.88Å; L121-I140 HydrophobicContact CD2-CG1 4.34Å; L121-I140 HydrophobicContact CD2-CG2 4.11Å; L124-I140 HydrophobicContact CD1-CD1 3.75Å; L124-I140 HydrophobicContact CD1-CG1 3.91Å; L136-I140 HydrophobicContact CB-CD1 4.18Å; L136-I140 WeakPolarHBondContact O-CG1 3.37Å; L136-I140 PolarHBondContact O-N 3.37Å; M137-I140 PolarHBondContact O-N 3.41Å; M137-I140 HydrophobicContact SD-CD1 4.11Å; I140-A142 PolarHBondContact O-N 2.8Å; I140-C143 VanDerWaalsContact O-CB 3.31Å; I140-C143 WeakPolarHBondContact O-CB 3.38Å; I140-C143 PolarHBondContact O-N 3.19Å; I140-C143 VanDerWaalsContact O-N 3.08Å; I140-I159 HydrophobicContact CG2-CD1 4.34Å; I140-I159 HydrophobicContact CG2-CG1 3.81Å; I140-I162 HydrophobicContact CD1-CD1 3.7Å
141R93.6Very high91.4Very high81 Ų8156.2 Ų56.231%0.30628%0.277SS..Hα-helixtrans-60.4-44.1176.1-69.9-176.7-170.4-146-0.6111.6M137 C143 L144 I170 D172 L176M137-R141 WeakPolarHBondContact O-CG 3.34Å; M137-R141 PolarHBondContact O-N 3.22Å; R141-C143 PolarHBondContact O-N 3.16Å; R141-C143 VanDerWaalsContact O-N 3.16Å; R141-L144 WeakPolarHBondContact O-CB 3.48Å; R141-L144 PolarHBondContact O-N 3.38Å; R141-I170 HydrophobicContact CG-CD1 4.36Å; R141-D172 IonicContact CZ-OD1 3.32Å; R141-D172 IonicContact CZ-OD2 3.56Å; R141-D172 IonicContact NH1-OD1 3.17Å; R141-D172 IonicContact NH1-OD2 2.72Å; R141-D172 PolarHBondContact NH1-OD2 3.07Å; R141-D172 IonicContact NH2-OD1 2.66Å; R141-D172 PolarHBondContact NH2-OD1 2.85Å; R141-D172 IonicContact NH2-OD2 2.69Å; R141-D172 PolarHBondContact NH2-OD2 3.21Å; R141-L176 HydrophobicContact CG-CD2 4.23Å
142A93.1Very high91.9Very high56 Ų5651.9 Ų51.946%0.46326%0.256SS..Hα-helixtrans-60.9-24.817600000113.4P138 A139 I140 L144 E145P138-A142 PolarHBondContact O-N 2.99Å; P138-A142 VanDerWaalsContact O-N 3.11Å; A139-A142 PolarHBondContact O-N 2.92Å; I140-A142 PolarHBondContact O-N 2.8Å; A142-L144 PolarHBondContact O-N 3.05Å; A142-E145 PolarHBondContact O-N 2.98Å
143C93.8Very high92.2Very high0 Ų055.6 Ų55.60%027%0.269CS..G310 helixtrans-70.3-16.5175.2-71.40000113.9L121 A139 I140 R141 E145 H146 V151 A155L121-C143 HydrophobicContact CD1-CB 4.09Å; A139-C143 PolarHBondContact O-N 3.03Å; A139-C143 PolarHBondContact O-SG 3.19Å; A139-C143 VanDerWaalsContact O-SG 3.35Å; I140-C143 VanDerWaalsContact O-CB 3.31Å; I140-C143 WeakPolarHBondContact O-CB 3.38Å; I140-C143 PolarHBondContact O-N 3.19Å; I140-C143 VanDerWaalsContact O-N 3.08Å; R141-C143 PolarHBondContact O-N 3.16Å; R141-C143 VanDerWaalsContact O-N 3.16Å; C143-E145 VanDerWaalsContact C-N 3.28Å; C143-E145 PolarHBondContact O-N 3.32Å; C143-H146 WeakPolarHBondContact O-CB 3.43Å; C143-H146 PolarHBondContact O-N 2.95Å; C143-V151 HydrophobicContact CB-CG1 3.85Å; C143-A155 HydrophobicContact CB-CB 3.83Å
144L92.3Very high92.5Very high10 Ų1055.9 Ų55.95%0.05227%0.27CS..G310 helixtrans-68.2-27173-69.4175.1000112.5R141 A142 H146 R152 A155 V156 I159 L176 I177 F180R141-L144 WeakPolarHBondContact O-CB 3.48Å; R141-L144 PolarHBondContact O-N 3.38Å; A142-L144 PolarHBondContact O-N 3.05Å; L144-H146 VanDerWaalsContact C-N 3.35Å; L144-R152 WeakPolarHBondContact O-CD 3.26Å; L144-R152 WeakPolarHBondContact O-CG 3.38Å; L144-A155 HydrophobicContact CD2-CB 3.97Å; L144-A155 HydrophobicContact CG-CB 4.43Å; L144-V156 HydrophobicContact CD2-CG2 3.69Å; L144-I159 HydrophobicContact CD1-CD1 3.58Å; L144-I159 HydrophobicContact CD2-CD1 4Å; L144-I159 HydrophobicContact CG-CD1 3.87Å; L144-L176 HydrophobicContact CD1-CD1 4.39Å; L144-L176 HydrophobicContact CD1-CD2 3.72Å; L144-L176 HydrophobicContact CD1-CG 3.91Å; L144-I177 HydrophobicContact CD1-CD1 4.34Å; L144-I177 HydrophobicContact CD2-CD1 4.27Å; L144-F180 HydrophobicContact CB-CD2 4.26Å; L144-F180 HydrophobicContact CB-CE2 4.46Å; L144-F180 HydrophobicContact CD2-CD2 4.27Å; L144-F180 HydrophobicContact CD2-CE2 4.34Å; L144-F180 WeakPolarHBondContact O-CE2 3.42Å
145E91.3Very high92.8Very high179 Ų17949.9 Ų49.984%0.83624%0.242SC*.G310 helixtrans-94.66-179.6-62.6-178.6175.100112.7A142 C143A142-E145 PolarHBondContact O-N 2.98Å; C143-E145 VanDerWaalsContact C-N 3.28Å; C143-E145 PolarHBondContact O-N 3.32Å
146H93.4Very high93Very high30 Ų3046.5 Ų46.514%0.13922%0.22CC..  trans-66.3143.6-174.6-166.8-97.5000112.3C143 L144 H148 V151 R152C143-H146 WeakPolarHBondContact O-CB 3.43Å; C143-H146 PolarHBondContact O-N 2.95Å; L144-H146 VanDerWaalsContact C-N 3.35Å; H146-H148 VanDerWaalsContact C-N 3.27Å; H146-H148 AromaticContact CE1-CD2 3.68Å; H146-H148 PolarHBondContact ND1-N 3.5Å; H146-H148 PolarHBondContact O-N 3.36Å; H146-H148 VanDerWaalsContact O-N 3.17Å; H146-V151 HydrophobicContact CB-CB 4.09Å; H146-V151 HydrophobicContact CB-CG1 3.92Å; H146-R152 HydrophobicContact CB-CG 4.34Å; H146-R152 WeakPolarHBondContact O-CD 3.31Å; H146-R152 WeakPolarHBondContact O-CG 3.48Å; H146-R152 PolarHBondContact O-NH1 2.9Å
147R90.9Very high92.9Very high221 Ų22149.5 Ų49.583%0.83424%0.236SC*.SBendtrans-55.7-37.2-177.5-176.1-179.7178.5-175.7-0.4114R152R147-R152 VanDerWaalsContact C-NH1 3.27Å; R147-R152 PolarHBondContact O-NH1 3.48Å
148H92.5Very high93Very high76 Ų7649 Ų4935%0.35223%0.234SC..SBendtrans-91.7126.7-176.5-66.2-85.3000112.6E114 H146 Y150 V151 R152E114-H148 HydrophobicContact CB-CB 4.33Å; H146-H148 VanDerWaalsContact C-N 3.27Å; H146-H148 AromaticContact CE1-CD2 3.68Å; H146-H148 PolarHBondContact ND1-N 3.5Å; H146-H148 PolarHBondContact O-N 3.36Å; H146-H148 VanDerWaalsContact O-N 3.17Å; H148-Y150 VanDerWaalsContact C-N 3.27Å; H148-Y150 PolarHBondContact O-N 3.45Å; H148-V151 PolarHBondContact O-N 2.87Å; H148-V151 VanDerWaalsContact O-N 3.13Å; H148-R152 PolarHBondContact O-N 3.27Å
149S91.6Very high93.1Very high40 Ų4044.8 Ų44.828%0.2821%0.206SC..Hα-helixtrans-61.4-31.5-179.756.60000113.4V151 R152 R153 D186 C189S149-V151 VanDerWaalsContact C-N 3.26Å; S149-V151 PolarHBondContact O-N 3.4Å; S149-R152 PolarHBondContact O-N 3.35Å; S149-R153 VanDerWaalsContact O-CB 3.32Å; S149-R153 WeakPolarHBondContact O-CB 3.5Å; S149-R153 PolarHBondContact O-N 3.19Å; S149-D186 VanDerWaalsContact CB-CG 3.43Å; S149-D186 WeakPolarHBondContact CB-OD1 3.23Å; S149-D186 PolarHBondContact OG-OD1 3.25Å; S149-D186 VanDerWaalsContact OG-OD1 3.14Å; S149-C189 PolarHBondContact O-SG 3.09Å
150Y92.8Very high93.1Very high51 Ų5146 Ų4620%0.221%0.21CC..Hα-helixtrans-53.9-40.9173.9174.4-104.4000112.9F115 R122 H148 N154F115-Y150 HydrophobicContact CD1-CE1 4.28Å; R122-Y150 VanDerWaalsContact CZ-OH 3.3Å; R122-Y150 PolarHBondContact NH2-OH 2.76Å; H148-Y150 VanDerWaalsContact C-N 3.27Å; H148-Y150 PolarHBondContact O-N 3.45Å; Y150-N154 WeakPolarHBondContact CE2-ND2 3.36Å; Y150-N154 PolarHBondContact O-N 3.32Å; Y150-N154 PolarHBondContact O-ND2 3.09Å
151V93.7Very high92.9Very high0 Ų047.4 Ų47.40%022%0.219CC..Hα-helixtrans-72.3-48.4178.7178.90000110E114 R117 L121 C143 H146 H148 S149 R153 N154 A155E114-V151 HydrophobicContact CB-CG2 3.72Å; R117-V151 HydrophobicContact CB-CG1 4.11Å; R117-V151 HydrophobicContact CB-CG2 4.1Å; L121-V151 HydrophobicContact CD1-CG1 3.87Å; C143-V151 HydrophobicContact CB-CG1 3.85Å; H146-V151 HydrophobicContact CB-CB 4.09Å; H146-V151 HydrophobicContact CB-CG1 3.92Å; H148-V151 PolarHBondContact O-N 2.87Å; H148-V151 VanDerWaalsContact O-N 3.13Å; S149-V151 VanDerWaalsContact C-N 3.26Å; S149-V151 PolarHBondContact O-N 3.4Å; V151-R153 VanDerWaalsContact C-N 3.34Å; V151-R153 PolarHBondContact O-N 2.92Å; V151-N154 PolarHBondContact O-N 2.84Å; V151-A155 WeakPolarHBondContact O-CB 3.42Å; V151-A155 PolarHBondContact O-N 2.98Å
152R94.8Very high92.8Very high35 Ų3543.8 Ų43.813%0.13221%0.205CC..Hα-helixtrans-58.4-44.6-179.7-57.3-166.3-59.7-95.711.4112.1L144 H146 R147 H148 S149 N154 A155 V156 F180 E184L144-R152 WeakPolarHBondContact O-CD 3.26Å; L144-R152 WeakPolarHBondContact O-CG 3.38Å; H146-R152 HydrophobicContact CB-CG 4.34Å; H146-R152 WeakPolarHBondContact O-CD 3.31Å; H146-R152 WeakPolarHBondContact O-CG 3.48Å; H146-R152 PolarHBondContact O-NH1 2.9Å; R147-R152 VanDerWaalsContact C-NH1 3.27Å; R147-R152 PolarHBondContact O-NH1 3.48Å; H148-R152 PolarHBondContact O-N 3.27Å; S149-R152 PolarHBondContact O-N 3.35Å; R152-N154 PolarHBondContact O-N 3.01Å; R152-A155 WeakPolarHBondContact O-CB 3.49Å; R152-A155 PolarHBondContact O-N 3.42Å; R152-A155 VanDerWaalsContact O-N 3.1Å; R152-V156 WeakPolarHBondContact O-CG2 3.39Å; R152-V156 PolarHBondContact O-N 3.4Å; R152-F180 HydrophobicContact CB-CE2 4.27Å; R152-F180 HydrophobicContact CB-CZ 3.99Å; R152-E184 IonicContact CZ-OE1 2.81Å; R152-E184 IonicContact CZ-OE2 3.75Å; R152-E184 IonicContact NE-OE1 3.45Å; R152-E184 IonicContact NE-OE2 3.85Å; R152-E184 PolarHBondContact NE-OE2 3.08Å; R152-E184 IonicContact NH2-OE1 2.89Å; R152-E184 PolarHBondContact NH2-OE1 3.38Å; R152-E184 IonicContact NH2-OE2 2.84Å; R152-E184 PolarHBondContact NH2-OE2 3.4Å; R152-E184 VanDerWaalsContact NH2-OE2 3.17Å
153R93.3Very high92.7Very high83 Ų8342.7 Ų42.731%0.31319%0.189SC..Hα-helixtrans-57.1-44.9176.1-176.3-177.372.1177.61.2113S149 V151 A155 L157 S188 N192S149-R153 VanDerWaalsContact O-CB 3.32Å; S149-R153 WeakPolarHBondContact O-CB 3.5Å; S149-R153 PolarHBondContact O-N 3.19Å; V151-R153 VanDerWaalsContact C-N 3.34Å; V151-R153 PolarHBondContact O-N 2.92Å; R153-A155 VanDerWaalsContact C-N 3.35Å; R153-L157 PolarHBondContact O-N 3.48Å; R153-S188 WeakPolarHBondContact CD-OG 3.38Å; R153-S188 PolarHBondContact NH1-OG 3.13Å; R153-N192 WeakPolarHBondContact CG-ND2 3.47Å; R153-N192 PolarHBondContact O-ND2 3.29Å
154N93.9Very high92.5Very high7 Ų751.1 Ų51.14%0.03722%0.221CC..Hα-helixtrans-73.6-29.9178.2-70.4-51.5000111.4L121 R122 Y150 V151 R152 L157 A158L121-N154 HydrophobicContact CB-CB 3.91Å; L121-N154 HydrophobicContact CD1-CB 4.13Å; R122-N154 WeakPolarHBondContact CG-OD1 3.44Å; Y150-N154 WeakPolarHBondContact CE2-ND2 3.36Å; Y150-N154 PolarHBondContact O-N 3.32Å; Y150-N154 PolarHBondContact O-ND2 3.09Å; V151-N154 PolarHBondContact O-N 2.84Å; R152-N154 PolarHBondContact O-N 3.01Å; N154-L157 PolarHBondContact O-N 3.44Å; N154-A158 WeakPolarHBondContact O-CB 3.42Å; N154-A158 PolarHBondContact O-N 3.25Å
155A94.5Very high92.3Very high0 Ų054.3 Ų54.30%024%0.238CC..Hα-helixtrans-66.3-43.9175.500000111.2L121 C143 L144 V151 R152 R153 L157 A158 I159L121-A155 HydrophobicContact CD1-CB 3.96Å; L121-A155 HydrophobicContact CD2-CB 4.35Å; C143-A155 HydrophobicContact CB-CB 3.83Å; L144-A155 HydrophobicContact CD2-CB 3.97Å; L144-A155 HydrophobicContact CG-CB 4.43Å; V151-A155 WeakPolarHBondContact O-CB 3.42Å; V151-A155 PolarHBondContact O-N 2.98Å; R152-A155 WeakPolarHBondContact O-CB 3.49Å; R152-A155 PolarHBondContact O-N 3.42Å; R152-A155 VanDerWaalsContact O-N 3.1Å; R153-A155 VanDerWaalsContact C-N 3.35Å; A155-L157 VanDerWaalsContact C-N 3.33Å; A155-L157 PolarHBondContact O-N 3.15Å; A155-A158 PolarHBondContact O-N 3.44Å; A155-I159 WeakPolarHBondContact O-CG1 3.34Å; A155-I159 PolarHBondContact O-N 2.87Å
156V94.4Very high92.2Very high0 Ų047.5 Ų47.50%021%0.206CC..Hα-helixtrans-58.4-44.4172.7174.80000111.4L144 R152 A158 I159 Y160 I177 F180 N192 A193L144-V156 HydrophobicContact CD2-CG2 3.69Å; R152-V156 WeakPolarHBondContact O-CG2 3.39Å; R152-V156 PolarHBondContact O-N 3.4Å; V156-A158 PolarHBondContact O-N 3.48Å; V156-I159 PolarHBondContact O-N 3.03Å; V156-Y160 WeakPolarHBondContact O-CB 3.16Å; V156-Y160 PolarHBondContact O-N 2.87Å; V156-I177 HydrophobicContact CG1-CD1 4.27Å; V156-I177 HydrophobicContact CG2-CD1 4.09Å; V156-F180 HydrophobicContact CG2-CD1 3.91Å; V156-F180 HydrophobicContact CG2-CE1 3.54Å; V156-F180 HydrophobicContact CG2-CZ 4.12Å; V156-N192 HydrophobicContact CB-CB 4.34Å; V156-N192 HydrophobicContact CG1-CB 3.86Å; V156-A193 HydrophobicContact CG1-CB 4.11Å
157L91.8Very high91.9Very high65 Ų6551.8 Ų51.834%0.3423%0.226SC..Hα-helixtrans-64-40.7177.7-176.766000112.4R153 N154 A155 Y160 T161R153-L157 PolarHBondContact O-N 3.48Å; N154-L157 PolarHBondContact O-N 3.44Å; A155-L157 VanDerWaalsContact C-N 3.33Å; A155-L157 PolarHBondContact O-N 3.15Å; L157-Y160 HydrophobicContact CD1-CD1 4.49Å; L157-Y160 PolarHBondContact O-N 3Å; L157-T161 WeakPolarHBondContact O-CB 3.29Å; L157-T161 PolarHBondContact O-N 3.03Å; L157-T161 PolarHBondContact O-OG1 3.38Å
158A92.8Very high91.8Very high0 Ų047.5 Ų47.50%022%0.215CC..Hα-helixtrans-63.7-47.6175.900000111.1L121 C125 N154 A155 V156 Y160 T161 I162L121-A158 HydrophobicContact CD2-CB 4.15Å; C125-A158 VanDerWaalsContact SG-CA 3.51Å; N154-A158 WeakPolarHBondContact O-CB 3.42Å; N154-A158 PolarHBondContact O-N 3.25Å; A155-A158 PolarHBondContact O-N 3.44Å; V156-A158 PolarHBondContact O-N 3.48Å; A158-Y160 VanDerWaalsContact C-N 3.34Å; A158-Y160 PolarHBondContact O-N 2.94Å; A158-T161 PolarHBondContact O-N 2.89Å; A158-I162 WeakPolarHBondContact O-CB 3.49Å; A158-I162 WeakPolarHBondContact O-CD1 3.41Å; A158-I162 WeakPolarHBondContact O-CG1 3.45Å; A158-I162 PolarHBondContact O-N 2.93Å
159I93.9Very high91.6Very high0 Ų045 Ų450%020%0.204CC..Hα-helixtrans-59.7-45.4176.2-69.8169.6000110.8I140 L144 A155 V156 T161 I162 Y163 I170 A173 I177 M196I140-I159 HydrophobicContact CG2-CD1 4.34Å; I140-I159 HydrophobicContact CG2-CG1 3.81Å; L144-I159 HydrophobicContact CD1-CD1 3.58Å; L144-I159 HydrophobicContact CD2-CD1 4Å; L144-I159 HydrophobicContact CG-CD1 3.87Å; A155-I159 WeakPolarHBondContact O-CG1 3.34Å; A155-I159 PolarHBondContact O-N 2.87Å; V156-I159 PolarHBondContact O-N 3.03Å; I159-T161 VanDerWaalsContact C-N 3.35Å; I159-T161 PolarHBondContact O-N 3.32Å; I159-I162 PolarHBondContact O-N 3.47Å; I159-Y163 VanDerWaalsContact O-CB 3.26Å; I159-Y163 WeakPolarHBondContact O-CB 3.48Å; I159-Y163 PolarHBondContact O-N 3Å; I159-I170 HydrophobicContact CG2-CD1 4.15Å; I159-A173 HydrophobicContact CG2-CB 4.02Å; I159-I177 HydrophobicContact CD1-CD1 4.3Å; I159-I177 HydrophobicContact CG2-CD1 4.31Å; I159-I177 HydrophobicContact CG2-CG1 4.25Å; I159-M196 HydrophobicContact CG2-CE 3.96Å; I159-M196 HydrophobicContact CG2-SD 4.18Å
160Y92.7Very high91.5Very high33 Ų3343 Ų4313%0.12919%0.191CC..Hα-helixtrans-57.3-48.1176.8174.8-137000112V156 L157 A158 Y163 R164 M196 H199V156-Y160 WeakPolarHBondContact O-CB 3.16Å; V156-Y160 PolarHBondContact O-N 2.87Å; L157-Y160 HydrophobicContact CD1-CD1 4.49Å; L157-Y160 PolarHBondContact O-N 3Å; A158-Y160 VanDerWaalsContact C-N 3.34Å; A158-Y160 PolarHBondContact O-N 2.94Å; Y160-Y163 PolarHBondContact O-N 3.25Å; Y160-R164 WeakPolarHBondContact O-CB 3.2Å; Y160-R164 PolarHBondContact O-N 2.81Å; Y160-M196 VanDerWaalsContact CA-SD 3.59Å; Y160-M196 HydrophobicContact CD2-CB 3.92Å; Y160-M196 HydrophobicContact CD2-CG 3.63Å; Y160-M196 HydrophobicContact CD2-SD 4.35Å; Y160-M196 HydrophobicContact CG-CB 3.96Å; Y160-M196 HydrophobicContact CG-CG 4Å; Y160-M196 HydrophobicContact CG-SD 4.4Å; Y160-H199 HydrophobicContact CE2-CB 3.93Å; Y160-H199 WeakPolarHBondContact OH-CB 3.48Å; Y160-H199 PolarHBondContact OH-CD2 2.89Å
161T90.9Very high91.3Very high29 Ų2945 Ų4518%0.17821%0.21CC..Hα-helixtrans-67.5-41.3-178.2-50.80000111.7C125 L157 A158 I159 R164 N165C125-T161 HydrophobicContact CB-CG2 4.16Å; C125-T161 VanDerWaalsContact O-CG2 3.28Å; C125-T161 WeakPolarHBondContact O-CG2 3.42Å; L157-T161 WeakPolarHBondContact O-CB 3.29Å; L157-T161 PolarHBondContact O-N 3.03Å; L157-T161 PolarHBondContact O-OG1 3.38Å; A158-T161 PolarHBondContact O-N 2.89Å; I159-T161 VanDerWaalsContact C-N 3.35Å; I159-T161 PolarHBondContact O-N 3.32Å; T161-R164 PolarHBondContact O-N 2.84Å; T161-N165 PolarHBondContact O-N 3.14Å; T161-N165 VanDerWaalsContact O-N 3.17Å; T161-N165 PolarHBondContact O-ND2 2.8Å
162I91.1Very high91.1Very high4 Ų447.9 Ų47.92%0.02123%0.225CC..Hα-helixtrans-65-46.6177.2-67.1166.6000110.2L133 M137 I140 A158 I159 R164 N165 F166 L169 I170L133-I162 HydrophobicContact CD1-CG1 4.24Å; L133-I162 HydrophobicContact CD2-CD1 4.16Å; L133-I162 HydrophobicContact CD2-CG1 4.44Å; M137-I162 HydrophobicContact CE-CG2 4.44Å; M137-I162 HydrophobicContact SD-CD1 4.16Å; M137-I162 HydrophobicContact SD-CG2 4.07Å; I140-I162 HydrophobicContact CD1-CD1 3.7Å; A158-I162 WeakPolarHBondContact O-CB 3.49Å; A158-I162 WeakPolarHBondContact O-CD1 3.41Å; A158-I162 WeakPolarHBondContact O-CG1 3.45Å; A158-I162 PolarHBondContact O-N 2.93Å; I159-I162 PolarHBondContact O-N 3.47Å; I162-R164 VanDerWaalsContact C-N 3.35Å; I162-R164 PolarHBondContact O-N 3.45Å; I162-N165 PolarHBondContact O-N 2.92Å; I162-F166 CarbonylContact O-C 3.41Å; I162-F166 WeakPolarHBondContact O-CA 3.49Å; I162-F166 PolarHBondContact O-N 3.44Å; I162-L169 HydrophobicContact CG2-CB 4.42Å; I162-L169 HydrophobicContact CG2-CD1 4.21Å; I162-I170 HydrophobicContact CG2-CG2 4.48Å
163Y91.7Very high90.9Very high33 Ų3346.2 Ų46.213%0.12922%0.219CC..Hα-helixtrans-60.3-44178.2179.6-104.3000111.7I159 Y160 N165 F166 E167 I170 A173 P174 A200I159-Y163 VanDerWaalsContact O-CB 3.26Å; I159-Y163 WeakPolarHBondContact O-CB 3.48Å; I159-Y163 PolarHBondContact O-N 3Å; Y160-Y163 PolarHBondContact O-N 3.25Å; Y163-N165 VanDerWaalsContact C-N 3.32Å; Y163-N165 PolarHBondContact O-N 2.94Å; Y163-F166 CarbonylContact O-C 3.52Å; Y163-E167 HydrophobicContact CD2-CG 4.26Å; Y163-E167 HydrophobicContact CE2-CB 4.45Å; Y163-E167 HydrophobicContact CE2-CG 3.62Å; Y163-E167 WeakPolarHBondContact O-CA 3.42Å; Y163-E167 PolarHBondContact O-N 3.48Å; Y163-E167 PolarHBondContact OH-OE1 3.36Å; Y163-I170 HydrophobicContact CD2-CG2 4.17Å; Y163-I170 WeakPolarHBondContact CD2-O 3.46Å; Y163-A173 HydrophobicContact CD2-CB 3.61Å; Y163-A173 HydrophobicContact CE2-CB 4.21Å; Y163-A173 HydrophobicContact CG-CB 3.93Å; Y163-P174 HydrophobicContact CE1-CG 4.27Å; Y163-P174 HydrophobicContact CE2-CG 4.3Å; Y163-A200 HydrophobicContact CD1-CB 4.05Å; Y163-A200 HydrophobicContact CE1-CB 3.64Å
164R89.5Confident90.9Very high177 Ų17742.7 Ų42.767%0.66821%0.207SC*.Hα-helixtrans-63.1-36.7179.5-162.5-176.989.3172.48.6113.1Y160 T161 I162Y160-R164 WeakPolarHBondContact O-CB 3.2Å; Y160-R164 PolarHBondContact O-N 2.81Å; T161-R164 PolarHBondContact O-N 2.84Å; I162-R164 VanDerWaalsContact C-N 3.35Å; I162-R164 PolarHBondContact O-N 3.45Å
165N87.9Confident90.8Very high78 Ų7847.2 Ų47.242%0.41723%0.228SC..Hα-helixtrans-89.2-33.3-178.6-65.7-15.7000112.4T161 I162 Y163T161-N165 PolarHBondContact O-N 3.14Å; T161-N165 VanDerWaalsContact O-N 3.17Å; T161-N165 PolarHBondContact O-ND2 2.8Å; I162-N165 PolarHBondContact O-N 2.92Å; Y163-N165 VanDerWaalsContact C-N 3.32Å; Y163-N165 PolarHBondContact O-N 2.94Å
166F88.5Confident90.7Very high36 Ų3649.6 Ų49.616%0.15824%0.24CC..  trans-141.770.8-171-51.5-64.5000111.2K128 L133 I162 Y163 H168 L169K128-F166 WeakPolarHBondContact O-CZ 3.3Å; L133-F166 HydrophobicContact CD1-CD2 3.87Å; L133-F166 HydrophobicContact CD1-CE2 3.81Å; I162-F166 CarbonylContact O-C 3.41Å; I162-F166 WeakPolarHBondContact O-CA 3.49Å; I162-F166 PolarHBondContact O-N 3.44Å; Y163-F166 CarbonylContact O-C 3.52Å; F166-H168 PolarHBondContact O-N 2.99Å; F166-H168 VanDerWaalsContact O-N 3.17Å; F166-L169 HydrophobicContact CB-CB 4.41Å; F166-L169 HydrophobicContact CB-CD1 3.6Å; F166-L169 HydrophobicContact CB-CG 3.87Å; F166-L169 HydrophobicContact CD2-CD1 4.21Å; F166-L169 HydrophobicContact CG-CD1 4.05Å; F166-L169 PolarHBondContact O-N 3.31Å; F166-L169 VanDerWaalsContact O-N 3.09Å
167E86.6Confident90.6Very high119 Ų11949.6 Ų49.656%0.55624%0.24SC*.G310 helixtrans-53.8-38.9-176.9-175.2169.7-167.400113.5Y163 L169 I170Y163-E167 HydrophobicContact CD2-CG 4.26Å; Y163-E167 HydrophobicContact CE2-CB 4.45Å; Y163-E167 HydrophobicContact CE2-CG 3.62Å; Y163-E167 WeakPolarHBondContact O-CA 3.42Å; Y163-E167 PolarHBondContact O-N 3.48Å; Y163-E167 PolarHBondContact OH-OE1 3.36Å; E167-L169 PolarHBondContact O-N 2.68Å; E167-I170 CarbonylContact O-C 3.6Å; E167-I170 PolarHBondContact O-N 2.92Å
168H88.8Confident90.6Very high132 Ų13248.5 Ų48.561%0.61123%0.233SC*.G310 helixtrans-64-20.5-178.966-84.2000114.8F166F166-H168 PolarHBondContact O-N 2.99Å; F166-H168 VanDerWaalsContact O-N 3.17Å
169L89.1Confident90.6Very high22 Ų2252.5 Ų52.512%0.11526%0.255CS..G310 helixtrans-76.1-25.3179.5-68.1-179.3000112.7L133 E134 I162 F166 E167L133-L169 HydrophobicContact CB-CD1 4.06Å; E134-L169 HydrophobicContact CB-CD2 3.87Å; E134-L169 HydrophobicContact CG-CD2 4.13Å; I162-L169 HydrophobicContact CG2-CB 4.42Å; I162-L169 HydrophobicContact CG2-CD1 4.21Å; F166-L169 HydrophobicContact CB-CB 4.41Å; F166-L169 HydrophobicContact CB-CD1 3.6Å; F166-L169 HydrophobicContact CB-CG 3.87Å; F166-L169 HydrophobicContact CD2-CD1 4.21Å; F166-L169 HydrophobicContact CG-CD1 4.05Å; F166-L169 PolarHBondContact O-N 3.31Å; F166-L169 VanDerWaalsContact O-N 3.09Å; E167-L169 PolarHBondContact O-N 2.68Å
170I88.4Confident90.5Very high0 Ų053.6 Ų53.60%026%0.26CS..  trans-149.368.4-179.5-171155.9000110.9M137 R141 I159 I162 Y163 E167 D172 A173 L176M137-I170 HydrophobicContact CE-CB 3.77Å; M137-I170 HydrophobicContact CE-CD1 3.62Å; M137-I170 HydrophobicContact CE-CG1 4.25Å; M137-I170 HydrophobicContact CE-CG2 4.08Å; R141-I170 HydrophobicContact CG-CD1 4.36Å; I159-I170 HydrophobicContact CG2-CD1 4.15Å; I162-I170 HydrophobicContact CG2-CG2 4.48Å; Y163-I170 HydrophobicContact CD2-CG2 4.17Å; Y163-I170 WeakPolarHBondContact CD2-O 3.46Å; E167-I170 CarbonylContact O-C 3.6Å; E167-I170 PolarHBondContact O-N 2.92Å; I170-D172 PolarHBondContact O-N 2.86Å; I170-A173 HydrophobicContact CB-CB 4.3Å; I170-A173 HydrophobicContact CD1-CB 4.26Å; I170-A173 HydrophobicContact CG1-CB 3.7Å; I170-A173 HydrophobicContact CG2-CB 3.88Å; I170-A173 VanDerWaalsContact O-CB 3.26Å; I170-A173 WeakPolarHBondContact O-CB 3.38Å; I170-A173 PolarHBondContact O-N 2.7Å; I170-A173 VanDerWaalsContact O-N 3.09Å; I170-L176 HydrophobicContact CD1-CD2 4.36Å
171P88.4Confident90.4Very high93 Ų9352 Ų5260%0.60425%0.253SS*.THydrogen-bonded Turntrans-63.5-25.8-177.726.2-34.7000112.9A173P171-A173 VanDerWaalsContact C-N 3.3Å; P171-A173 PolarHBondContact O-N 3.49Å
172D91.3Very high90.4Very high59 Ų5954.3 Ų54.332%0.31627%0.267SS..THydrogen-bonded Turntrans-85.27.217860.2-36.9000113.9R141 I170 E175 L176R141-D172 IonicContact CZ-OD1 3.32Å; R141-D172 IonicContact CZ-OD2 3.56Å; R141-D172 IonicContact NH1-OD1 3.17Å; R141-D172 IonicContact NH1-OD2 2.72Å; R141-D172 PolarHBondContact NH1-OD2 3.07Å; R141-D172 IonicContact NH2-OD1 2.66Å; R141-D172 PolarHBondContact NH2-OD1 2.85Å; R141-D172 IonicContact NH2-OD2 2.69Å; R141-D172 PolarHBondContact NH2-OD2 3.21Å; I170-D172 PolarHBondContact O-N 2.86Å; D172-E175 PolarHBondContact O-N 3.41Å; D172-L176 WeakPolarHBondContact O-CB 3.38Å; D172-L176 PolarHBondContact O-N 3.34Å
173A90.7Very high90.3Very high0 Ų060.2 Ų60.20%030%0.298CS..Hα-helixtrans-54.6-48.1-178.700000114.4I159 Y163 I170 P171 E175 L176 I177 M196I159-A173 HydrophobicContact CG2-CB 4.02Å; Y163-A173 HydrophobicContact CD2-CB 3.61Å; Y163-A173 HydrophobicContact CE2-CB 4.21Å; Y163-A173 HydrophobicContact CG-CB 3.93Å; I170-A173 HydrophobicContact CB-CB 4.3Å; I170-A173 HydrophobicContact CD1-CB 4.26Å; I170-A173 HydrophobicContact CG1-CB 3.7Å; I170-A173 HydrophobicContact CG2-CB 3.88Å; I170-A173 VanDerWaalsContact O-CB 3.26Å; I170-A173 WeakPolarHBondContact O-CB 3.38Å; I170-A173 PolarHBondContact O-N 2.7Å; I170-A173 VanDerWaalsContact O-N 3.09Å; P171-A173 VanDerWaalsContact C-N 3.3Å; P171-A173 PolarHBondContact O-N 3.49Å; A173-E175 VanDerWaalsContact C-N 3.3Å; A173-E175 PolarHBondContact O-N 3.2Å; A173-L176 PolarHBondContact O-N 3.2Å; A173-I177 WeakPolarHBondContact O-CB 3.36Å; A173-I177 VanDerWaalsContact O-CG1 3.25Å; A173-I177 WeakPolarHBondContact O-CG1 3.41Å; A173-I177 PolarHBondContact O-N 3.05Å; A173-M196 HydrophobicContact CB-CE 3.68Å
174P91.5Very high90.2Very high10 Ų1059.4 Ų59.47%0.06530%0.296CS..Hα-helixtrans-60.7-38.1-179.9-25.635.6000113.1Y163 H178 L197 A200 D201Y163-P174 HydrophobicContact CE1-CG 4.27Å; Y163-P174 HydrophobicContact CE2-CG 4.3Å; P174-H178 WeakPolarHBondContact O-CB 3.39Å; P174-H178 PolarHBondContact O-N 3.35Å; P174-L197 HydrophobicContact CB-CD2 4.48Å; P174-L197 WeakPolarHBondContact O-CD2 3.31Å; P174-A200 HydrophobicContact CG-CB 4.39Å; P174-D201 HydrophobicContact CB-CB 3.95Å
175E91.7Very high90.1Very high101 Ų10160.1 Ų60.147%0.47230%0.304SS..Hα-helixtrans-68.7-48.9177.5-172.4167.8173.300111.9D172 A173 I177 H178 D179 R204D172-E175 PolarHBondContact O-N 3.41Å; A173-E175 VanDerWaalsContact C-N 3.3Å; A173-E175 PolarHBondContact O-N 3.2Å; E175-I177 VanDerWaalsContact C-N 3.27Å; E175-I177 PolarHBondContact O-N 3.24Å; E175-H178 PolarHBondContact O-N 2.86Å; E175-D179 PolarHBondContact O-N 3.3Å; E175-R204 VanDerWaalsContact CA-NH1 3.25Å; E175-R204 VanDerWaalsContact CB-NH1 3.27Å; E175-R204 IonicContact OE2-NH2 3.59Å
176L92.6Very high90.2Very high51 Ų5158.8 Ų58.827%0.26730%0.297SS..Hα-helixtrans-56.5-41.4177.3-179.166.2000112.4R141 L144 I170 D172 A173 F180R141-L176 HydrophobicContact CG-CD2 4.23Å; L144-L176 HydrophobicContact CD1-CD1 4.39Å; L144-L176 HydrophobicContact CD1-CD2 3.72Å; L144-L176 HydrophobicContact CD1-CG 3.91Å; I170-L176 HydrophobicContact CD1-CD2 4.36Å; D172-L176 WeakPolarHBondContact O-CB 3.38Å; D172-L176 PolarHBondContact O-N 3.34Å; A173-L176 PolarHBondContact O-N 3.2Å; L176-F180 WeakPolarHBondContact O-CB 3.5Å; L176-F180 PolarHBondContact O-N 3.48Å
177I93.8Very high90Very high0 Ų059.3 Ų59.30%031%0.308CS..Hα-helixtrans-78.2-30.9-177.1-65.4-69.3000111.9L144 V156 I159 A173 E175 F180 L181 A193 M196 L197L144-I177 HydrophobicContact CD1-CD1 4.34Å; L144-I177 HydrophobicContact CD2-CD1 4.27Å; V156-I177 HydrophobicContact CG1-CD1 4.27Å; V156-I177 HydrophobicContact CG2-CD1 4.09Å; I159-I177 HydrophobicContact CD1-CD1 4.3Å; I159-I177 HydrophobicContact CG2-CD1 4.31Å; I159-I177 HydrophobicContact CG2-CG1 4.25Å; A173-I177 WeakPolarHBondContact O-CB 3.36Å; A173-I177 VanDerWaalsContact O-CG1 3.25Å; A173-I177 WeakPolarHBondContact O-CG1 3.41Å; A173-I177 PolarHBondContact O-N 3.05Å; E175-I177 VanDerWaalsContact C-N 3.27Å; E175-I177 PolarHBondContact O-N 3.24Å; I177-F180 PolarHBondContact O-N 3.4Å; I177-L181 VanDerWaalsContact O-CB 3.27Å; I177-L181 WeakPolarHBondContact O-CB 3.43Å; I177-L181 PolarHBondContact O-N 3.23Å; I177-A193 HydrophobicContact CG2-CB 3.7Å; I177-M196 HydrophobicContact CB-CE 4.29Å; I177-M196 HydrophobicContact CB-SD 4.24Å; I177-M196 HydrophobicContact CD1-SD 4.29Å; I177-M196 HydrophobicContact CG1-CE 3.74Å; I177-M196 HydrophobicContact CG1-SD 3.67Å; I177-M196 HydrophobicContact CG2-SD 4.11Å; I177-L197 HydrophobicContact CG2-CD2 4.37Å; I177-L197 HydrophobicContact CG2-CG 4.23Å
178H92Very high90.1Very high41 Ų4155.1 Ų55.119%0.1929%0.291CS..Hα-helixtrans-61.5-48.8169.7177.1-86.5000111.1P174 E175 F180 L181 V182 L197P174-H178 WeakPolarHBondContact O-CB 3.39Å; P174-H178 PolarHBondContact O-N 3.35Å; E175-H178 PolarHBondContact O-N 2.86Å; H178-F180 VanDerWaalsContact C-N 3.3Å; H178-F180 PolarHBondContact O-N 2.86Å; H178-L181 WeakPolarHBondContact O-CB 3.35Å; H178-L181 PolarHBondContact O-N 3.19Å; H178-L181 VanDerWaalsContact O-N 3.12Å; H178-V182 WeakPolarHBondContact O-CG2 3.5Å; H178-V182 PolarHBondContact O-N 3.46Å; H178-V182 VanDerWaalsContact O-N 3.11Å; H178-L197 HydrophobicContact CB-CD1 4.27Å; H178-L197 HydrophobicContact CB-CD2 4.42Å
179D91.6Very high90.2Very high84 Ų8448.8 Ų48.845%0.44926%0.262SS..Hα-helixtrans-64.6-36.5178.3-69.4-10.6000112.2E175 N183E175-D179 PolarHBondContact O-N 3.3Å; D179-N183 PolarHBondContact O-N 3.22Å; D179-N183 PolarHBondContact O-ND2 3.14Å
180F92.4Very high90.3Very high24 Ų2449.3 Ų49.311%0.10526%0.264CS..Hα-helixtrans-61.8-45.9171.5175.8-96.9000111.9L144 R152 V156 L176 I177 H178 V182 N183 E184 C189 A193L144-F180 HydrophobicContact CB-CD2 4.26Å; L144-F180 HydrophobicContact CB-CE2 4.46Å; L144-F180 HydrophobicContact CD2-CD2 4.27Å; L144-F180 HydrophobicContact CD2-CE2 4.34Å; L144-F180 WeakPolarHBondContact O-CE2 3.42Å; R152-F180 HydrophobicContact CB-CE2 4.27Å; R152-F180 HydrophobicContact CB-CZ 3.99Å; V156-F180 HydrophobicContact CG2-CD1 3.91Å; V156-F180 HydrophobicContact CG2-CE1 3.54Å; V156-F180 HydrophobicContact CG2-CZ 4.12Å; L176-F180 WeakPolarHBondContact O-CB 3.5Å; L176-F180 PolarHBondContact O-N 3.48Å; I177-F180 PolarHBondContact O-N 3.4Å; H178-F180 VanDerWaalsContact C-N 3.3Å; H178-F180 PolarHBondContact O-N 2.86Å; F180-V182 VanDerWaalsContact C-N 3.34Å; F180-V182 PolarHBondContact O-N 3Å; F180-N183 PolarHBondContact O-N 3.37Å; F180-E184 HydrophobicContact CE1-CB 4.2Å; F180-E184 HydrophobicContact CE1-CG 4.15Å; F180-E184 WeakPolarHBondContact CE2-OE2 3.38Å; F180-E184 HydrophobicContact CZ-CB 4.19Å; F180-E184 HydrophobicContact CZ-CG 3.98Å; F180-E184 WeakPolarHBondContact CZ-OE2 3.31Å; F180-E184 VanDerWaalsContact O-CB 3.26Å; F180-E184 WeakPolarHBondContact O-CB 3.31Å; F180-E184 PolarHBondContact O-N 2.79Å; F180-C189 HydrophobicContact CE1-CB 4.15Å; F180-C189 HydrophobicContact CZ-CB 4.1Å; F180-A193 HydrophobicContact CD1-CB 3.97Å; F180-A193 HydrophobicContact CE1-CB 4.26Å
181L91Very high90.3Very high0 Ų052.4 Ų52.40%028%0.275CS..Hα-helixtrans-61.6-40.2-177.8177.262.8000112.4I177 H178 K190 A193 F194 L197 Y208I177-L181 VanDerWaalsContact O-CB 3.27Å; I177-L181 WeakPolarHBondContact O-CB 3.43Å; I177-L181 PolarHBondContact O-N 3.23Å; H178-L181 WeakPolarHBondContact O-CB 3.35Å; H178-L181 PolarHBondContact O-N 3.19Å; H178-L181 VanDerWaalsContact O-N 3.12Å; L181-K190 HydrophobicContact CD1-CB 3.85Å; L181-K190 HydrophobicContact CD1-CD 4.47Å; L181-K190 HydrophobicContact CD1-CG 3.96Å; L181-K190 WeakPolarHBondContact CD1-O 3.47Å; L181-A193 HydrophobicContact CB-CB 4.13Å; L181-A193 HydrophobicContact CD1-CB 4.06Å; L181-F194 HydrophobicContact CD1-CB 4.38Å; L181-F194 HydrophobicContact CD2-CB 4.25Å; L181-F194 HydrophobicContact CD2-CD2 3.91Å; L181-L197 HydrophobicContact CD2-CD1 3.7Å; L181-Y208 HydrophobicContact CD1-CE1 4.2Å; L181-Y208 HydrophobicContact CD1-CE2 4.48Å; L181-Y208 HydrophobicContact CD2-CD1 3.54Å; L181-Y208 HydrophobicContact CD2-CD2 3.83Å; L181-Y208 HydrophobicContact CD2-CE1 3.77Å; L181-Y208 HydrophobicContact CD2-CE2 4.06Å; L181-Y208 HydrophobicContact CD2-CG 3.56Å; L181-Y208 HydrophobicContact CG-CD1 4.17Å; L181-Y208 HydrophobicContact CG-CD2 3.91Å; L181-Y208 HydrophobicContact CG-CE1 3.95Å; L181-Y208 HydrophobicContact CG-CE2 3.68Å; L181-Y208 HydrophobicContact CG-CG 4.14Å
182V89.3Confident90.4Very high77 Ų7749 Ų4947%0.46725%0.252SS..Hα-helixtrans-64.2-40.9178.3174.40000111.6H178 F180 Y208H178-V182 WeakPolarHBondContact O-CG2 3.5Å; H178-V182 PolarHBondContact O-N 3.46Å; H178-V182 VanDerWaalsContact O-N 3.11Å; F180-V182 VanDerWaalsContact C-N 3.34Å; F180-V182 PolarHBondContact O-N 3Å; V182-Y208 HydrophobicContact CG2-CD2 3.94Å; V182-Y208 HydrophobicContact CG2-CE2 4.22Å
183N89.4Confident90.5Very high127 Ų12746.2 Ų46.268%0.67924%0.237SC*.Hα-helixtrans-87.8-22.2-174.2-69.3-51.4000114.4D179 F180D179-N183 PolarHBondContact O-N 3.22Å; D179-N183 PolarHBondContact O-ND2 3.14Å; F180-N183 PolarHBondContact O-N 3.37Å
184E90.1Very high90.5Very high16 Ų1646.2 Ų46.28%0.07524%0.237CC..  trans-68.9152.6-176.8-17755.4-103.400112.3R152 F180 D186 C189 K190R152-E184 IonicContact CZ-OE1 2.81Å; R152-E184 IonicContact CZ-OE2 3.75Å; R152-E184 IonicContact NE-OE1 3.45Å; R152-E184 IonicContact NE-OE2 3.85Å; R152-E184 PolarHBondContact NE-OE2 3.08Å; R152-E184 IonicContact NH2-OE1 2.89Å; R152-E184 PolarHBondContact NH2-OE1 3.38Å; R152-E184 IonicContact NH2-OE2 2.84Å; R152-E184 PolarHBondContact NH2-OE2 3.4Å; R152-E184 VanDerWaalsContact NH2-OE2 3.17Å; F180-E184 HydrophobicContact CE1-CB 4.2Å; F180-E184 HydrophobicContact CE1-CG 4.15Å; F180-E184 WeakPolarHBondContact CE2-OE2 3.38Å; F180-E184 HydrophobicContact CZ-CB 4.19Å; F180-E184 HydrophobicContact CZ-CG 3.98Å; F180-E184 WeakPolarHBondContact CZ-OE2 3.31Å; F180-E184 VanDerWaalsContact O-CB 3.26Å; F180-E184 WeakPolarHBondContact O-CB 3.31Å; F180-E184 PolarHBondContact O-N 2.79Å; E184-D186 HydrophobicContact CG-CB 4.48Å; E184-D186 WeakPolarHBondContact OE1-CB 3.37Å; E184-D186 PolarHBondContact OE1-N 3.18Å; E184-C189 HydrophobicContact CG-CB 3.61Å; E184-K190 HydrophobicContact CB-CG 4.27Å; E184-K190 HydrophobicContact CG-CG 4.15Å; E184-K190 WeakPolarHBondContact O-CE 3.45Å; E184-K190 PolarHBondContact O-NZ 3.07Å; E184-K190 VanDerWaalsContact O-NZ 3.14Å
185K86.9Confident90.3Very high193 Ų19348.2 Ų48.284%0.83925%0.246SC*.  trans-116-26.9176.9-64.1-177.6-178.8179.20112.9
186D89.7Confident90.2Very high49 Ų4943.4 Ų43.426%0.26222%0.224SC..  trans-73.3125.9-178.5-177.595.6000112.2S149 E184 S188 C189 K190S149-D186 VanDerWaalsContact CB-CG 3.43Å; S149-D186 WeakPolarHBondContact CB-OD1 3.23Å; S149-D186 PolarHBondContact OG-OD1 3.25Å; S149-D186 VanDerWaalsContact OG-OD1 3.14Å; E184-D186 HydrophobicContact CG-CB 4.48Å; E184-D186 WeakPolarHBondContact OE1-CB 3.37Å; E184-D186 PolarHBondContact OE1-N 3.18Å; D186-S188 VanDerWaalsContact C-N 3.32Å; D186-S188 PolarHBondContact O-N 3.07Å; D186-S188 WeakPolarHBondContact OD2-CA 3.26Å; D186-S188 WeakPolarHBondContact OD2-CB 3.41Å; D186-S188 PolarHBondContact OD2-N 3.08Å; D186-C189 HydrophobicContact CB-CB 4.16Å; D186-C189 PolarHBondContact O-N 3.15Å; D186-C189 PolarHBondContact OD2-N 3.05Å; D186-C189 PolarHBondContact OD2-SG 3.48Å; D186-K190 WeakPolarHBondContact O-CG 3.49Å; D186-K190 PolarHBondContact O-N 3.01Å
187A86Confident90.1Very high47 Ų4741 Ų4139%0.38821%0.211SC..Hα-helixtrans-62.7-34.4-175.800000113.5R191A187-R191 WeakPolarHBondContact O-CB 3.41Å; A187-R191 PolarHBondContact O-N 2.87Å
188S87.9Confident89.8Confident31 Ų3141.4 Ų41.422%0.21721%0.213CC..Hα-helixtrans-73.4-38.7-178.4-160.40000111.3R153 D186 N192R153-S188 WeakPolarHBondContact CD-OG 3.38Å; R153-S188 PolarHBondContact NH1-OG 3.13Å; D186-S188 VanDerWaalsContact C-N 3.32Å; D186-S188 PolarHBondContact O-N 3.07Å; D186-S188 WeakPolarHBondContact OD2-CA 3.26Å; D186-S188 WeakPolarHBondContact OD2-CB 3.41Å; D186-S188 PolarHBondContact OD2-N 3.08Å; S188-N192 PolarHBondContact O-N 3.31Å
189C90.7Very high89.4Confident0 Ų044 Ų440%023%0.225CC..Hα-helixtrans-64.5-46.9172.7-60.60000111.3S149 F180 E184 D186 R191 N192 A193S149-C189 PolarHBondContact O-SG 3.09Å; F180-C189 HydrophobicContact CE1-CB 4.15Å; F180-C189 HydrophobicContact CZ-CB 4.1Å; E184-C189 HydrophobicContact CG-CB 3.61Å; D186-C189 HydrophobicContact CB-CB 4.16Å; D186-C189 PolarHBondContact O-N 3.15Å; D186-C189 PolarHBondContact OD2-N 3.05Å; D186-C189 PolarHBondContact OD2-SG 3.48Å; C189-R191 VanDerWaalsContact C-N 3.33Å; C189-R191 PolarHBondContact O-N 3.36Å; C189-N192 PolarHBondContact O-N 3.26Å; C189-A193 WeakPolarHBondContact O-CB 3.4Å; C189-A193 PolarHBondContact O-N 3.02Å
190K90.6Very high89.2Confident33 Ų3341.6 Ų41.614%0.14322%0.217CC..Hα-helixtrans-57.3-44.8175.7-72.9-163.2177.6-158.50112.3L181 E184 D186 N192 A193 F194 L223L181-K190 HydrophobicContact CD1-CB 3.85Å; L181-K190 HydrophobicContact CD1-CD 4.47Å; L181-K190 HydrophobicContact CD1-CG 3.96Å; L181-K190 WeakPolarHBondContact CD1-O 3.47Å; E184-K190 HydrophobicContact CB-CG 4.27Å; E184-K190 HydrophobicContact CG-CG 4.15Å; E184-K190 WeakPolarHBondContact O-CE 3.45Å; E184-K190 PolarHBondContact O-NZ 3.07Å; E184-K190 VanDerWaalsContact O-NZ 3.14Å; D186-K190 WeakPolarHBondContact O-CG 3.49Å; D186-K190 PolarHBondContact O-N 3.01Å; K190-N192 PolarHBondContact O-N 3.37Å; K190-A193 PolarHBondContact O-N 3.44Å; K190-F194 VanDerWaalsContact O-CB 3.23Å; K190-F194 WeakPolarHBondContact O-CB 3.35Å; K190-F194 PolarHBondContact O-N 3.25Å; K190-L223 HydrophobicContact CB-CD2 4.1Å; K190-L223 HydrophobicContact CD-CD2 4.39Å
191R89.7Confident88.9Confident65 Ų6542.2 Ų42.225%0.24522%0.221CC..Hα-helixtrans-58.1-46.4177.9179.2-94.9179-154.6-5112.2A187 C189 M195 I222 L223 V226A187-R191 WeakPolarHBondContact O-CB 3.41Å; A187-R191 PolarHBondContact O-N 2.87Å; C189-R191 VanDerWaalsContact C-N 3.33Å; C189-R191 PolarHBondContact O-N 3.36Å; R191-M195 PolarHBondContact NH1-SD 2.86Å; R191-M195 PolarHBondContact NH2-SD 3.38Å; R191-M195 VanDerWaalsContact O-CB 3.26Å; R191-M195 WeakPolarHBondContact O-CB 3.22Å; R191-M195 PolarHBondContact O-N 2.93Å; R191-I222 HydrophobicContact CG-CG2 3.83Å; R191-L223 HydrophobicContact CB-CD1 4.45Å; R191-V226 HydrophobicContact CG-CG2 3.93Å
192N90.7Very high88.6Confident22 Ų2246.9 Ų46.912%0.11824%0.243CC..Hα-helixtrans-68.4-39.3179.5-78.64.9000112.2R153 V156 S188 C189 K190 M195 M196R153-N192 WeakPolarHBondContact CG-ND2 3.47Å; R153-N192 PolarHBondContact O-ND2 3.29Å; V156-N192 HydrophobicContact CB-CB 4.34Å; V156-N192 HydrophobicContact CG1-CB 3.86Å; S188-N192 PolarHBondContact O-N 3.31Å; C189-N192 PolarHBondContact O-N 3.26Å; K190-N192 PolarHBondContact O-N 3.37Å; N192-M195 PolarHBondContact O-N 3.25Å; N192-M196 PolarHBondContact O-N 2.91Å
193A91.6Very high88.5Confident0 Ų048.7 Ų48.70%025%0.25CC..Hα-helixtrans-65.7-45.6178.500000110.8V156 I177 F180 L181 C189 K190 M196 L197V156-A193 HydrophobicContact CG1-CB 4.11Å; I177-A193 HydrophobicContact CG2-CB 3.7Å; F180-A193 HydrophobicContact CD1-CB 3.97Å; F180-A193 HydrophobicContact CE1-CB 4.26Å; L181-A193 HydrophobicContact CB-CB 4.13Å; L181-A193 HydrophobicContact CD1-CB 4.06Å; C189-A193 WeakPolarHBondContact O-CB 3.4Å; C189-A193 PolarHBondContact O-N 3.02Å; K190-A193 PolarHBondContact O-N 3.44Å; A193-M196 WeakPolarHBondContact O-CB 3.17Å; A193-M196 PolarHBondContact O-N 3.45Å; A193-L197 WeakPolarHBondContact O-CG 3.46Å; A193-L197 PolarHBondContact O-N 3.34Å
194F90.6Very high88.5Confident0 Ų046.1 Ų46.10%023%0.231CC..Hα-helixtrans-63.1-44.8175.4-167.6-114.3000111.9L181 K190 M196 L197 I198 A205 Y208 L209 L223 V226 I227 L230L181-F194 HydrophobicContact CD1-CB 4.38Å; L181-F194 HydrophobicContact CD2-CB 4.25Å; L181-F194 HydrophobicContact CD2-CD2 3.91Å; K190-F194 VanDerWaalsContact O-CB 3.23Å; K190-F194 WeakPolarHBondContact O-CB 3.35Å; K190-F194 PolarHBondContact O-N 3.25Å; F194-M196 VanDerWaalsContact C-N 3.3Å; F194-M196 PolarHBondContact O-N 3Å; F194-L197 PolarHBondContact O-N 3.12Å; F194-L197 VanDerWaalsContact O-N 3.14Å; F194-I198 HydrophobicContact CD1-CD1 3.7Å; F194-I198 HydrophobicContact CD1-CG1 4.34Å; F194-I198 HydrophobicContact CE1-CD1 3.65Å; F194-I198 HydrophobicContact CE1-CG1 4.25Å; F194-I198 HydrophobicContact CG-CD1 4.49Å; F194-I198 HydrophobicContact CZ-CD1 4.42Å; F194-I198 VanDerWaalsContact O-CG1 3.29Å; F194-I198 WeakPolarHBondContact O-CG1 3.38Å; F194-I198 PolarHBondContact O-N 3.37Å; F194-A205 HydrophobicContact CE2-CB 4.13Å; F194-Y208 AromaticContact CD2-CD1 3.98Å; F194-Y208 HydrophobicContact CD2-CD1 3.98Å; F194-Y208 HydrophobicContact CD2-CE1 4.46Å; F194-Y208 AromaticContact CE2-CD1 3.97Å; F194-Y208 HydrophobicContact CE2-CD1 3.97Å; F194-L209 HydrophobicContact CE2-CB 4.46Å; F194-L209 HydrophobicContact CZ-CB 4.4Å; F194-L223 HydrophobicContact CB-CD1 4.11Å; F194-L223 HydrophobicContact CD1-CD1 4.04Å; F194-L223 HydrophobicContact CG-CD1 4.26Å; F194-V226 HydrophobicContact CD1-CG1 3.87Å; F194-V226 HydrophobicContact CE1-CG1 4.36Å; F194-I227 HydrophobicContact CD1-CG1 4.21Å; F194-I227 HydrophobicContact CE1-CB 4.41Å; F194-I227 HydrophobicContact CE1-CG1 3.54Å; F194-I227 HydrophobicContact CZ-CG1 4.02Å; F194-L230 HydrophobicContact CE1-CB 4.48Å; F194-L230 HydrophobicContact CE1-CD2 3.91Å; F194-L230 HydrophobicContact CE2-CD2 4.21Å; F194-L230 HydrophobicContact CZ-CD2 3.38Å
195M87.9Confident88.3Confident51 Ų5145.4 Ų45.425%0.25123%0.227SC..Hα-helixtrans-58.5-40.9175.5-173.6-176.4-170.800112.2R191 N192 I198 H199R191-M195 PolarHBondContact NH1-SD 2.86Å; R191-M195 PolarHBondContact NH2-SD 3.38Å; R191-M195 VanDerWaalsContact O-CB 3.26Å; R191-M195 WeakPolarHBondContact O-CB 3.22Å; R191-M195 PolarHBondContact O-N 2.93Å; N192-M195 PolarHBondContact O-N 3.25Å; M195-I198 PolarHBondContact O-N 2.95Å; M195-H199 PolarHBondContact O-CD2 3.23Å; M195-H199 VanDerWaalsContact O-CD2 3.23Å; M195-H199 PolarHBondContact O-N 3.44Å
196M90.4Very high88.3Confident0 Ų037.3 Ų37.30%019%0.193CC..Hα-helixtrans-61.4-47.9174.6169.8172.816600111.4I159 Y160 A173 I177 N192 A193 F194 I198 H199 A200I159-M196 HydrophobicContact CG2-CE 3.96Å; I159-M196 HydrophobicContact CG2-SD 4.18Å; Y160-M196 VanDerWaalsContact CA-SD 3.59Å; Y160-M196 HydrophobicContact CD2-CB 3.92Å; Y160-M196 HydrophobicContact CD2-CG 3.63Å; Y160-M196 HydrophobicContact CD2-SD 4.35Å; Y160-M196 HydrophobicContact CG-CB 3.96Å; Y160-M196 HydrophobicContact CG-CG 4Å; Y160-M196 HydrophobicContact CG-SD 4.4Å; A173-M196 HydrophobicContact CB-CE 3.68Å; I177-M196 HydrophobicContact CB-CE 4.29Å; I177-M196 HydrophobicContact CB-SD 4.24Å; I177-M196 HydrophobicContact CD1-SD 4.29Å; I177-M196 HydrophobicContact CG1-CE 3.74Å; I177-M196 HydrophobicContact CG1-SD 3.67Å; I177-M196 HydrophobicContact CG2-SD 4.11Å; N192-M196 PolarHBondContact O-N 2.91Å; A193-M196 WeakPolarHBondContact O-CB 3.17Å; A193-M196 PolarHBondContact O-N 3.45Å; F194-M196 VanDerWaalsContact C-N 3.3Å; F194-M196 PolarHBondContact O-N 3Å; M196-I198 VanDerWaalsContact C-N 3.32Å; M196-I198 PolarHBondContact O-N 2.8Å; M196-H199 PolarHBondContact O-N 3.12Å; M196-H199 VanDerWaalsContact O-N 3.14Å; M196-A200 VanDerWaalsContact O-CB 3.31Å; M196-A200 WeakPolarHBondContact O-CB 3.45Å; M196-A200 PolarHBondContact O-N 3.5Å
197L89.9Confident88.1Confident0 Ų039.8 Ų39.80%021%0.206CC..Hα-helixtrans-60.9-40.9179.1-66.3174.9000111.6P174 I177 H178 L181 A193 F194 H199 A200 D201 A205P174-L197 HydrophobicContact CB-CD2 4.48Å; P174-L197 WeakPolarHBondContact O-CD2 3.31Å; I177-L197 HydrophobicContact CG2-CD2 4.37Å; I177-L197 HydrophobicContact CG2-CG 4.23Å; H178-L197 HydrophobicContact CB-CD1 4.27Å; H178-L197 HydrophobicContact CB-CD2 4.42Å; L181-L197 HydrophobicContact CD2-CD1 3.7Å; A193-L197 WeakPolarHBondContact O-CG 3.46Å; A193-L197 PolarHBondContact O-N 3.34Å; F194-L197 PolarHBondContact O-N 3.12Å; F194-L197 VanDerWaalsContact O-N 3.14Å; L197-H199 PolarHBondContact O-N 3.4Å; L197-H199 VanDerWaalsContact O-N 3.12Å; L197-A200 PolarHBondContact O-N 2.87Å; L197-D201 CarbonylContact O-C 3.45Å; L197-D201 WeakPolarHBondContact O-CA 3.27Å; L197-D201 PolarHBondContact O-N 2.71Å; L197-A205 HydrophobicContact CB-CB 3.89Å
198I86.5Confident88.2Confident9 Ų938.2 Ų38.25%0.04619%0.19CC..Hα-helixtrans-54.2-36.1176.1-67.7170.9000112.6F194 M195 M196 Q202 A205 V226 L230F194-I198 HydrophobicContact CD1-CD1 3.7Å; F194-I198 HydrophobicContact CD1-CG1 4.34Å; F194-I198 HydrophobicContact CE1-CD1 3.65Å; F194-I198 HydrophobicContact CE1-CG1 4.25Å; F194-I198 HydrophobicContact CG-CD1 4.49Å; F194-I198 HydrophobicContact CZ-CD1 4.42Å; F194-I198 VanDerWaalsContact O-CG1 3.29Å; F194-I198 WeakPolarHBondContact O-CG1 3.38Å; F194-I198 PolarHBondContact O-N 3.37Å; M195-I198 PolarHBondContact O-N 2.95Å; M196-I198 VanDerWaalsContact C-N 3.32Å; M196-I198 PolarHBondContact O-N 2.8Å; I198-Q202 WeakPolarHBondContact O-CG 3.25Å; I198-Q202 PolarHBondContact O-NE2 2.97Å; I198-A205 HydrophobicContact CG1-CB 4.31Å; I198-V226 HydrophobicContact CD1-CG1 3.49Å; I198-V226 VanDerWaalsContact CD1-CG1 3.49Å; I198-L230 HydrophobicContact CB-CD1 4.4Å; I198-L230 HydrophobicContact CD1-CB 3.88Å; I198-L230 HydrophobicContact CD1-CD1 4.29Å; I198-L230 HydrophobicContact CD1-CD2 4.27Å; I198-L230 HydrophobicContact CD1-CG 4.36Å; I198-L230 HydrophobicContact CG1-CB 4.33Å; I198-L230 HydrophobicContact CG1-CD1 3.84Å; I198-L230 HydrophobicContact CG1-CD2 4.02Å; I198-L230 HydrophobicContact CG1-CG 4.27Å; I198-L230 HydrophobicContact CG2-CD1 3.95Å
199H84.6Confident88.1Confident97 Ų9736.8 Ų36.845%0.44918%0.18SC..Hα-helixtrans-92.5-29.9-178.4-71.9-66.9000113.9Y160 M195 M196 L197Y160-H199 HydrophobicContact CE2-CB 3.93Å; Y160-H199 WeakPolarHBondContact OH-CB 3.48Å; Y160-H199 PolarHBondContact OH-CD2 2.89Å; M195-H199 PolarHBondContact O-CD2 3.23Å; M195-H199 VanDerWaalsContact O-CD2 3.23Å; M195-H199 PolarHBondContact O-N 3.44Å; M196-H199 PolarHBondContact O-N 3.12Å; M196-H199 VanDerWaalsContact O-N 3.14Å; L197-H199 PolarHBondContact O-N 3.4Å; L197-H199 VanDerWaalsContact O-N 3.12Å
200A87.1Confident87.8Confident32 Ų3237.9 Ų37.926%0.26419%0.188SC..Hα-helixtrans-93.2-45.3-176.200000113.1Y163 P174 M196 L197Y163-A200 HydrophobicContact CD1-CB 4.05Å; Y163-A200 HydrophobicContact CE1-CB 3.64Å; P174-A200 HydrophobicContact CG-CB 4.39Å; M196-A200 VanDerWaalsContact O-CB 3.31Å; M196-A200 WeakPolarHBondContact O-CB 3.45Å; M196-A200 PolarHBondContact O-N 3.5Å; L197-A200 PolarHBondContact O-N 2.87Å
201D87.3Confident87.6Confident38 Ų3841.8 Ų41.820%0.20322%0.215CC..  trans-151.492.3-174.7-171.2-20.9000109.9P174 L197 D203 R204 A205P174-D201 HydrophobicContact CB-CB 3.95Å; L197-D201 CarbonylContact O-C 3.45Å; L197-D201 WeakPolarHBondContact O-CA 3.27Å; L197-D201 PolarHBondContact O-N 2.71Å; D201-D203 VanDerWaalsContact C-N 3.31Å; D201-D203 PolarHBondContact O-N 3.45Å; D201-D203 PolarHBondContact OD1-N 3.22Å; D201-R204 HydrophobicContact CB-CB 4.48Å; D201-R204 HydrophobicContact CB-CG 4.5Å; D201-R204 PolarHBondContact OD1-N 3.4Å; D201-R204 WeakPolarHBondContact OD2-CD 3.39Å; D201-R204 WeakPolarHBondContact OD2-CG 3.15Å; D201-R204 IonicContact OD2-CZ 3.64Å; D201-R204 IonicContact OD2-NE 2.84Å; D201-R204 PolarHBondContact OD2-NE 3.49Å; D201-A205 PolarHBondContact O-N 3.06Å
202Q84.8Confident87.4Confident97 Ų9739.1 Ų39.145%0.45321%0.206SC..Hα-helixtrans-65.4-33-176.1-73.4-178.1-0.200112.7I198 A205 L206I198-Q202 WeakPolarHBondContact O-CG 3.25Å; I198-Q202 PolarHBondContact O-NE2 2.97Å; Q202-A205 WeakPolarHBondContact O-CB 3.33Å; Q202-A205 PolarHBondContact O-N 3.35Å; Q202-L206 WeakPolarHBondContact O-CG 3.37Å; Q202-L206 PolarHBondContact O-N 2.98Å
203D86.6Confident87.1Confident115 Ų11539.4 Ų39.462%0.61521%0.208SC*.Hα-helixtrans-65.2-44.2-177.5-66.8-33000110.3D201 A205 L206 D207D201-D203 VanDerWaalsContact C-N 3.31Å; D201-D203 PolarHBondContact O-N 3.45Å; D201-D203 PolarHBondContact OD1-N 3.22Å; D203-A205 VanDerWaalsContact C-N 3.33Å; D203-A205 PolarHBondContact O-N 2.97Å; D203-L206 WeakPolarHBondContact O-CB 3.47Å; D203-L206 PolarHBondContact O-N 3.37Å; D203-L206 VanDerWaalsContact O-N 3.16Å; D203-D207 PolarHBondContact O-N 2.89Å
204R88Confident86.7Confident74 Ų7443.4 Ų43.428%0.27923%0.229SC..Hα-helixtrans-64.7-34.9174.1-67.9-177-165-122.58.2113.2E175 D201 L206 D207 Y208E175-R204 VanDerWaalsContact CA-NH1 3.25Å; E175-R204 VanDerWaalsContact CB-NH1 3.27Å; E175-R204 IonicContact OE2-NH2 3.59Å; D201-R204 HydrophobicContact CB-CB 4.48Å; D201-R204 HydrophobicContact CB-CG 4.5Å; D201-R204 PolarHBondContact OD1-N 3.4Å; D201-R204 WeakPolarHBondContact OD2-CD 3.39Å; D201-R204 WeakPolarHBondContact OD2-CG 3.15Å; D201-R204 IonicContact OD2-CZ 3.64Å; D201-R204 IonicContact OD2-NE 2.84Å; D201-R204 PolarHBondContact OD2-NE 3.49Å; R204-L206 VanDerWaalsContact C-N 3.32Å; R204-D207 PolarHBondContact O-N 3.2Å; R204-Y208 PolarHBondContact O-N 3.14Å
205A87.3Confident86.4Confident0 Ų048.9 Ų48.90%026%0.255CS..Hα-helixtrans-64.6-40.4174.500000111.2F194 L197 I198 D201 Q202 D203 L209 L230F194-A205 HydrophobicContact CE2-CB 4.13Å; L197-A205 HydrophobicContact CB-CB 3.89Å; I198-A205 HydrophobicContact CG1-CB 4.31Å; D201-A205 PolarHBondContact O-N 3.06Å; Q202-A205 WeakPolarHBondContact O-CB 3.33Å; Q202-A205 PolarHBondContact O-N 3.35Å; D203-A205 VanDerWaalsContact C-N 3.33Å; D203-A205 PolarHBondContact O-N 2.97Å; A205-L209 WeakPolarHBondContact O-CB 3.47Å; A205-L209 PolarHBondContact O-N 3.29Å; A205-L230 HydrophobicContact CB-CD2 4.28Å
206L85.5Confident86.2Confident23 Ų2346.6 Ų46.612%0.1224%0.243CC..Hα-helixtrans-67.6-40.2176.1-70.3173.6000112Q202 D203 R204 L209 S210 V234 F245Q202-L206 WeakPolarHBondContact O-CG 3.37Å; Q202-L206 PolarHBondContact O-N 2.98Å; D203-L206 WeakPolarHBondContact O-CB 3.47Å; D203-L206 PolarHBondContact O-N 3.37Å; D203-L206 VanDerWaalsContact O-N 3.16Å; R204-L206 VanDerWaalsContact C-N 3.32Å; L206-L209 PolarHBondContact O-N 3.47Å; L206-S210 WeakPolarHBondContact O-CB 3.43Å; L206-S210 PolarHBondContact O-N 2.9Å; L206-S210 PolarHBondContact O-OG 2.93Å; L206-V234 HydrophobicContact CD1-CG1 4.15Å; L206-V234 HydrophobicContact CD1-CG2 4.43Å; L206-V234 HydrophobicContact CD2-CB 4.44Å; L206-V234 HydrophobicContact CD2-CG1 3.97Å; L206-V234 HydrophobicContact CD2-CG2 3.99Å; L206-F245 HydrophobicContact CD2-CE2 4.1Å; L206-F245 HydrophobicContact CD2-CZ 3.67Å
207D86.5Confident85.8Confident101 Ų10151.4 Ų51.454%0.5427%0.266SS..Hα-helixtrans-61.1-46.9174.8-76.1-18.7000111.3D203 R204 L209 S210 T211D203-D207 PolarHBondContact O-N 2.89Å; R204-D207 PolarHBondContact O-N 3.2Å; D207-L209 PolarHBondContact O-N 3.39Å; D207-S210 WeakPolarHBondContact O-CB 3.33Å; D207-S210 PolarHBondContact O-N 3.12Å; D207-T211 WeakPolarHBondContact O-CG2 3.49Å; D207-T211 PolarHBondContact O-N 2.96Å
208Y87.6Confident85.5Confident14 Ų1455.9 Ų55.96%0.05529%0.293CS..Hα-helixtrans-59.8-49.8174.3176.4-96.3000111.6L181 V182 F194 R204 S210 T211 C212L181-Y208 HydrophobicContact CD1-CE1 4.2Å; L181-Y208 HydrophobicContact CD1-CE2 4.48Å; L181-Y208 HydrophobicContact CD2-CD1 3.54Å; L181-Y208 HydrophobicContact CD2-CD2 3.83Å; L181-Y208 HydrophobicContact CD2-CE1 3.77Å; L181-Y208 HydrophobicContact CD2-CE2 4.06Å; L181-Y208 HydrophobicContact CD2-CG 3.56Å; L181-Y208 HydrophobicContact CG-CD1 4.17Å; L181-Y208 HydrophobicContact CG-CD2 3.91Å; L181-Y208 HydrophobicContact CG-CE1 3.95Å; L181-Y208 HydrophobicContact CG-CE2 3.68Å; L181-Y208 HydrophobicContact CG-CG 4.14Å; V182-Y208 HydrophobicContact CG2-CD2 3.94Å; V182-Y208 HydrophobicContact CG2-CE2 4.22Å; F194-Y208 AromaticContact CD2-CD1 3.98Å; F194-Y208 HydrophobicContact CD2-CD1 3.98Å; F194-Y208 HydrophobicContact CD2-CE1 4.46Å; F194-Y208 AromaticContact CE2-CD1 3.97Å; F194-Y208 HydrophobicContact CE2-CD1 3.97Å; R204-Y208 PolarHBondContact O-N 3.14Å; Y208-S210 PolarHBondContact O-N 3.12Å; Y208-T211 PolarHBondContact O-N 3.46Å; Y208-T211 VanDerWaalsContact O-N 3.15Å; Y208-T211 PolarHBondContact O-OG1 3.13Å; Y208-C212 PolarHBondContact O-N 3.28Å; Y208-C212 PolarHBondContact O-SG 2.7Å
209L86.6Confident85.5Confident1 Ų157 Ų571%0.00530%0.297CS..Hα-helixtrans-60.3-37.1179.7-177.660.1000111.7F194 A205 L206 D207 T211 C212 I213 V216 I227 L230 I231 F245F194-L209 HydrophobicContact CE2-CB 4.46Å; F194-L209 HydrophobicContact CZ-CB 4.4Å; A205-L209 WeakPolarHBondContact O-CB 3.47Å; A205-L209 PolarHBondContact O-N 3.29Å; L206-L209 PolarHBondContact O-N 3.47Å; D207-L209 PolarHBondContact O-N 3.39Å; L209-T211 VanDerWaalsContact C-N 3.33Å; L209-T211 PolarHBondContact O-N 3.03Å; L209-C212 CarbonylContact O-C 3.49Å; L209-C212 PolarHBondContact O-N 3.01Å; L209-I213 WeakPolarHBondContact O-CA 3.48Å; L209-I213 WeakPolarHBondContact O-CB 3.32Å; L209-I213 PolarHBondContact O-N 3.19Å; L209-V216 HydrophobicContact CD1-CG2 3.92Å; L209-I227 HydrophobicContact CD1-CD1 4.23Å; L209-I227 HydrophobicContact CD1-CG1 4.29Å; L209-I227 HydrophobicContact CD1-CG2 3.77Å; L209-I227 HydrophobicContact CD2-CG2 4.18Å; L209-L230 HydrophobicContact CD2-CD2 4.26Å; L209-I231 HydrophobicContact CD2-CG1 4.2Å; L209-F245 HydrophobicContact CD2-CD1 4.14Å; L209-F245 HydrophobicContact CD2-CE1 3.48Å; L209-F245 VanDerWaalsContact CD2-CE1 3.48Å; L209-F245 HydrophobicContact CD2-CZ 4.19Å; L209-F245 HydrophobicContact CG-CE1 4.06Å
210S84.8Confident85.5Confident24 Ų2453.9 Ų53.917%0.16829%0.292CS..Hα-helixtrans-60.5-39.6177.2-66.90000113L206 D207 Y208 C212 R244L206-S210 WeakPolarHBondContact O-CB 3.43Å; L206-S210 PolarHBondContact O-N 2.9Å; L206-S210 PolarHBondContact O-OG 2.93Å; D207-S210 WeakPolarHBondContact O-CB 3.33Å; D207-S210 PolarHBondContact O-N 3.12Å; Y208-S210 PolarHBondContact O-N 3.12Å; S210-C212 VanDerWaalsContact C-N 3.32Å; S210-R244 PolarHBondContact OG-NH1 3.45Å; S210-R244 PolarHBondContact OG-NH2 3.35Å
211T86.4Confident85.4Confident114 Ų11456.1 Ų56.170%0.69930%0.299SS*.Hα-helixtrans-71.4-26.8178.264.30000113.1D207 Y208 L209D207-T211 WeakPolarHBondContact O-CG2 3.49Å; D207-T211 PolarHBondContact O-N 2.96Å; Y208-T211 PolarHBondContact O-N 3.46Å; Y208-T211 VanDerWaalsContact O-N 3.15Å; Y208-T211 PolarHBondContact O-OG1 3.13Å; L209-T211 VanDerWaalsContact C-N 3.33Å; L209-T211 PolarHBondContact O-N 3.03Å
212C85.8Confident85.4Confident9 Ų958.6 Ų58.66%0.06131%0.312CS..Hα-helixtrans-115.710.7-173.766.60000115Y208 L209 S210 D214 Q215 V216 F219Y208-C212 PolarHBondContact O-N 3.28Å; Y208-C212 PolarHBondContact O-SG 2.7Å; L209-C212 CarbonylContact O-C 3.49Å; L209-C212 PolarHBondContact O-N 3.01Å; S210-C212 VanDerWaalsContact C-N 3.32Å; C212-D214 VanDerWaalsContact C-N 3.26Å; C212-D214 PolarHBondContact O-N 2.91Å; C212-D214 VanDerWaalsContact O-N 3.13Å; C212-Q215 PolarHBondContact O-N 2.97Å; C212-V216 PolarHBondContact O-N 2.84Å; C212-F219 HydrophobicContact CB-CE2 4.43Å; C212-F219 HydrophobicContact CB-CZ 3.97Å
213I83.3Confident85.5Confident29 Ų2954.2 Ų54.215%0.14929%0.291CS..G310 helixtrans-55.1-36.7-171.4-160.2165.8000113.8L209 Q215 V216 R244 F245 C248L209-I213 WeakPolarHBondContact O-CA 3.48Å; L209-I213 WeakPolarHBondContact O-CB 3.32Å; L209-I213 PolarHBondContact O-N 3.19Å; I213-Q215 VanDerWaalsContact C-N 3.33Å; I213-V216 WeakPolarHBondContact O-CG2 3.46Å; I213-R244 HydrophobicContact CD1-CG 4.25Å; I213-F245 HydrophobicContact CD1-CD1 4Å; I213-F245 HydrophobicContact CD1-CE1 4.15Å; I213-C248 HydrophobicContact CD1-CB 4.18Å; I213-C248 HydrophobicContact CG1-CB 3.82Å
214D82.4Confident85.6Confident83 Ų8348.9 Ų48.944%0.44426%0.263SS..G310 helixtrans-75.3-22.8179.6-72.1-41.3000112.9C212 H217 R247C212-D214 VanDerWaalsContact C-N 3.26Å; C212-D214 PolarHBondContact O-N 2.91Å; C212-D214 VanDerWaalsContact O-N 3.13Å; D214-H217 PolarHBondContact O-CE1 2.82Å; D214-H217 PolarHBondContact O-ND1 3.18Å; D214-R247 IonicContact OD1-CZ 3.78Å; D214-R247 IonicContact OD1-NE 3.52Å; D214-R247 IonicContact OD1-NH2 3.67Å; D214-R247 PolarHBondContact OD1-NH2 3.09Å; D214-R247 IonicContact OD2-NH2 2.87Å
215Q85.4Confident85.6Confident116 Ų11648.2 Ų48.254%0.54226%0.264SS..G310 helixtrans-93.7-5.2-177-61.517816.800113.4C212 I213 H217 T218 F219C212-Q215 PolarHBondContact O-N 2.97Å; I213-Q215 VanDerWaalsContact C-N 3.33Å; Q215-H217 PolarHBondContact O-N 2.65Å; Q215-H217 VanDerWaalsContact O-N 3.08Å; Q215-T218 WeakPolarHBondContact O-CB 3.45Å; Q215-T218 PolarHBondContact O-N 3.11Å; Q215-T218 PolarHBondContact O-OG1 2.9Å; Q215-F219 HydrophobicContact CB-CE1 4.39Å; Q215-F219 HydrophobicContact CB-CZ 4.48Å
216V83.9Confident85.6Confident2 Ų248.7 Ų48.71%0.01227%0.267CS..G310 helixtrans-54.5-34.5-175.2174.60000112.7L209 C212 I213 T218 F219 Q224 I227 L252L209-V216 HydrophobicContact CD1-CG2 3.92Å; C212-V216 PolarHBondContact O-N 2.84Å; I213-V216 WeakPolarHBondContact O-CG2 3.46Å; V216-T218 PolarHBondContact O-N 3.24Å; V216-F219 HydrophobicContact CG2-CD2 4.49Å; V216-F219 HydrophobicContact CG2-CE2 4.26Å; V216-F219 WeakPolarHBondContact O-CB 3.45Å; V216-F219 PolarHBondContact O-N 3.32Å; V216-F219 VanDerWaalsContact O-N 3.11Å; V216-Q224 PolarHBondContact O-NE2 2.92Å; V216-I227 HydrophobicContact CG1-CD1 3.94Å; V216-I227 HydrophobicContact CG1-CG2 4.22Å; V216-I227 HydrophobicContact CG2-CD1 4.32Å; V216-L252 HydrophobicContact CG1-CD1 4.19Å; V216-L252 HydrophobicContact CG1-CD2 3.8Å; V216-L252 HydrophobicContact CG1-CG 4.2Å
217H81.3Confident85.7Confident102 Ų10247.6 Ų47.647%0.47226%0.262SS..G310 helixtrans-62.5-22.1177.370.6-81.2000114.3D214 Q215 Q224D214-H217 PolarHBondContact O-CE1 2.82Å; D214-H217 PolarHBondContact O-ND1 3.18Å; Q215-H217 PolarHBondContact O-N 2.65Å; Q215-H217 VanDerWaalsContact O-N 3.08Å; H217-Q224 PolarHBondContact O-NE2 3.24Å; H217-Q224 VanDerWaalsContact O-NE2 3.11Å
218T84.2Confident85.8Confident94 Ų9443 Ų4358%0.57724%0.237SC*.G310 helixtrans-87.1-12.8177.367.90000113.7Q215 V216Q215-T218 WeakPolarHBondContact O-CB 3.45Å; Q215-T218 PolarHBondContact O-N 3.11Å; Q215-T218 PolarHBondContact O-OG1 2.9Å; V216-T218 PolarHBondContact O-N 3.24Å
219F85.5Confident85.6Confident31 Ų3144.8 Ų44.814%0.13625%0.246CC..SBendtrans-71.8157.3-179.2-64.5-14.6000111.7C212 Q215 V216 L223 Q224 I227C212-F219 HydrophobicContact CB-CE2 4.43Å; C212-F219 HydrophobicContact CB-CZ 3.97Å; Q215-F219 HydrophobicContact CB-CE1 4.39Å; Q215-F219 HydrophobicContact CB-CZ 4.48Å; V216-F219 HydrophobicContact CG2-CD2 4.49Å; V216-F219 HydrophobicContact CG2-CE2 4.26Å; V216-F219 WeakPolarHBondContact O-CB 3.45Å; V216-F219 PolarHBondContact O-N 3.32Å; V216-F219 VanDerWaalsContact O-N 3.11Å; F219-L223 HydrophobicContact CB-CB 4.49Å; F219-L223 HydrophobicContact CB-CD2 4.06Å; F219-L223 HydrophobicContact CB-CG 4.46Å; F219-L223 HydrophobicContact CD2-CD2 3.59Å; F219-L223 HydrophobicContact CD2-CG 4.17Å; F219-L223 HydrophobicContact CE2-CD2 4.18Å; F219-L223 HydrophobicContact CG-CD2 3.89Å; F219-Q224 HydrophobicContact CB-CG 4.23Å; F219-Q224 PolarHBondContact O-NE2 3.41Å; F219-Q224 VanDerWaalsContact O-NE2 3.08Å; F219-I227 HydrophobicContact CD2-CD1 3.87Å; F219-I227 HydrophobicContact CE2-CD1 4.27Å
220G84.8Confident85.6Confident32 Ų3244.8 Ų44.833%0.3325%0.246SC..  trans-60.2147.9171.800000111.6I222 L223 Q224G220-I222 VanDerWaalsContact C-N 3.29Å; G220-I222 PolarHBondContact O-N 2.9Å; G220-L223 PolarHBondContact O-N 2.75Å; G220-Q224 PolarHBondContact O-N 3.03Å
221D86.4Confident85.6Confident80 Ų8043.6 Ų43.643%0.42824%0.238SC..Hα-helixtrans-50.5-42.5179.859.1-16.9000113.6L223 Q224 L225 V260D221-L223 VanDerWaalsContact C-N 3.26Å; D221-L223 PolarHBondContact O-N 2.77Å; D221-Q224 PolarHBondContact O-N 3.42Å; D221-Q224 VanDerWaalsContact O-N 3.17Å; D221-L225 WeakPolarHBondContact O-CG 3.29Å; D221-L225 PolarHBondContact O-N 3.01Å; D221-V260 HydrophobicContact CB-CG2 4.16Å
222I86.8Confident85.5Confident90 Ų9038.8 Ų38.846%0.46221%0.207SC..Hα-helixtrans-60.3-37179.1-42.4180000111.5R191 G220 V226R191-I222 HydrophobicContact CG-CG2 3.83Å; G220-I222 VanDerWaalsContact C-N 3.29Å; G220-I222 PolarHBondContact O-N 2.9Å; I222-V226 WeakPolarHBondContact O-CG2 3.49Å
223L86.8Confident85.4Confident4 Ų441.6 Ų41.62%0.02122%0.218CC..Hα-helixtrans-77.8-39.1177.1179.959.7000110.9K190 R191 F194 F219 G220 D221 L225 V226 I227K190-L223 HydrophobicContact CB-CD2 4.1Å; K190-L223 HydrophobicContact CD-CD2 4.39Å; R191-L223 HydrophobicContact CB-CD1 4.45Å; F194-L223 HydrophobicContact CB-CD1 4.11Å; F194-L223 HydrophobicContact CD1-CD1 4.04Å; F194-L223 HydrophobicContact CG-CD1 4.26Å; F219-L223 HydrophobicContact CB-CB 4.49Å; F219-L223 HydrophobicContact CB-CD2 4.06Å; F219-L223 HydrophobicContact CB-CG 4.46Å; F219-L223 HydrophobicContact CD2-CD2 3.59Å; F219-L223 HydrophobicContact CD2-CG 4.17Å; F219-L223 HydrophobicContact CE2-CD2 4.18Å; F219-L223 HydrophobicContact CG-CD2 3.89Å; G220-L223 PolarHBondContact O-N 2.75Å; D221-L223 VanDerWaalsContact C-N 3.26Å; D221-L223 PolarHBondContact O-N 2.77Å; L223-L225 VanDerWaalsContact C-N 3.33Å; L223-L225 PolarHBondContact O-N 3.45Å; L223-V226 PolarHBondContact O-N 3.43Å; L223-I227 HydrophobicContact CD1-CD1 4.27Å; L223-I227 HydrophobicContact CD1-CG1 4.39Å; L223-I227 HydrophobicContact CG-CD1 3.9Å; L223-I227 HydrophobicContact CG-CG1 4.47Å; L223-I227 VanDerWaalsContact O-CG1 3.31Å; L223-I227 WeakPolarHBondContact O-CG1 3.48Å; L223-I227 PolarHBondContact O-N 2.77Å
224Q89.4Confident85.3Confident3 Ų340.4 Ų40.41%0.01421%0.212CC..Hα-helixtrans-58.2-43.7176.4-69.1-179.8-15.200111.9V216 H217 F219 G220 D221 V226 I227 V228 L252 S255 V260V216-Q224 PolarHBondContact O-NE2 2.92Å; H217-Q224 PolarHBondContact O-NE2 3.24Å; H217-Q224 VanDerWaalsContact O-NE2 3.11Å; F219-Q224 HydrophobicContact CB-CG 4.23Å; F219-Q224 PolarHBondContact O-NE2 3.41Å; F219-Q224 VanDerWaalsContact O-NE2 3.08Å; G220-Q224 PolarHBondContact O-N 3.03Å; D221-Q224 PolarHBondContact O-N 3.42Å; D221-Q224 VanDerWaalsContact O-N 3.17Å; Q224-V226 PolarHBondContact O-N 3.13Å; Q224-I227 WeakPolarHBondContact O-CB 3.35Å; Q224-I227 PolarHBondContact O-N 2.67Å; Q224-V228 WeakPolarHBondContact O-CG2 3.49Å; Q224-V228 PolarHBondContact O-N 3.37Å; Q224-L252 HydrophobicContact CB-CD2 4.05Å; Q224-L252 HydrophobicContact CG-CD2 3.86Å; Q224-S255 PolarHBondContact OE1-OG 3.28Å; Q224-V260 HydrophobicContact CB-CG1 3.98Å; Q224-V260 HydrophobicContact CB-CG2 3.9Å
225L87.7Confident85.3Confident60 Ų6036.5 Ų36.531%0.31419%0.191SC..Hα-helixtrans-60.4-45.1177.7-72.1172000112.3D221 L223 I227 V228 E229 A259 V260 E263D221-L225 WeakPolarHBondContact O-CG 3.29Å; D221-L225 PolarHBondContact O-N 3.01Å; L223-L225 VanDerWaalsContact C-N 3.33Å; L223-L225 PolarHBondContact O-N 3.45Å; L225-I227 VanDerWaalsContact C-N 3.29Å; L225-I227 PolarHBondContact O-N 2.88Å; L225-V228 PolarHBondContact O-N 3.35Å; L225-E229 PolarHBondContact O-N 3.37Å; L225-A259 HydrophobicContact CD2-CB 4.44Å; L225-V260 HydrophobicContact CD2-CB 4.48Å; L225-V260 HydrophobicContact CD2-CG2 3.93Å; L225-V260 HydrophobicContact CG-CG2 3.9Å; L225-E263 HydrophobicContact CD2-CB 4.32Å; L225-E263 HydrophobicContact CD2-CG 4.1Å
226V86.6Confident84.9Confident10 Ų1034.2 Ų34.26%0.06118%0.18CC..Hα-helixtrans-66-33.8177.41790000111.3R191 F194 I198 I222 L223 Q224 E229 L230R191-V226 HydrophobicContact CG-CG2 3.93Å; F194-V226 HydrophobicContact CD1-CG1 3.87Å; F194-V226 HydrophobicContact CE1-CG1 4.36Å; I198-V226 HydrophobicContact CD1-CG1 3.49Å; I198-V226 VanDerWaalsContact CD1-CG1 3.49Å; I222-V226 WeakPolarHBondContact O-CG2 3.49Å; L223-V226 PolarHBondContact O-N 3.43Å; Q224-V226 PolarHBondContact O-N 3.13Å; V226-E229 PolarHBondContact O-N 3.26Å; V226-L230 PolarHBondContact O-N 3.32Å
227I88.5Confident84.8Confident1 Ų137.2 Ų37.21%0.00521%0.206CC..Hα-helixtrans-66.2-42.6173.5-69.5166.8000111.1F194 L209 V216 F219 L223 Q224 L225 E229 L230 I231F194-I227 HydrophobicContact CD1-CG1 4.21Å; F194-I227 HydrophobicContact CE1-CB 4.41Å; F194-I227 HydrophobicContact CE1-CG1 3.54Å; F194-I227 HydrophobicContact CZ-CG1 4.02Å; L209-I227 HydrophobicContact CD1-CD1 4.23Å; L209-I227 HydrophobicContact CD1-CG1 4.29Å; L209-I227 HydrophobicContact CD1-CG2 3.77Å; L209-I227 HydrophobicContact CD2-CG2 4.18Å; V216-I227 HydrophobicContact CG1-CD1 3.94Å; V216-I227 HydrophobicContact CG1-CG2 4.22Å; V216-I227 HydrophobicContact CG2-CD1 4.32Å; F219-I227 HydrophobicContact CD2-CD1 3.87Å; F219-I227 HydrophobicContact CE2-CD1 4.27Å; L223-I227 HydrophobicContact CD1-CD1 4.27Å; L223-I227 HydrophobicContact CD1-CG1 4.39Å; L223-I227 HydrophobicContact CG-CD1 3.9Å; L223-I227 HydrophobicContact CG-CG1 4.47Å; L223-I227 VanDerWaalsContact O-CG1 3.31Å; L223-I227 WeakPolarHBondContact O-CG1 3.48Å; L223-I227 PolarHBondContact O-N 2.77Å; Q224-I227 WeakPolarHBondContact O-CB 3.35Å; Q224-I227 PolarHBondContact O-N 2.67Å; L225-I227 VanDerWaalsContact C-N 3.29Å; L225-I227 PolarHBondContact O-N 2.88Å; I227-E229 VanDerWaalsContact C-N 3.32Å; I227-E229 PolarHBondContact O-N 3.04Å; I227-L230 PolarHBondContact O-N 2.86Å; I227-I231 HydrophobicContact CG2-CD1 3.73Å; I227-I231 HydrophobicContact CG2-CG1 4.28Å; I227-I231 WeakPolarHBondContact O-CB 3.49Å; I227-I231 VanDerWaalsContact O-CG1 3.27Å; I227-I231 WeakPolarHBondContact O-CG1 3.2Å; I227-I231 PolarHBondContact O-N 3.25Å
228V88.3Confident84.7Confident4 Ų436.6 Ų36.62%0.02421%0.206CC..Hα-helixtrans-60.4-44.5175.4175.70000110.5Q224 L225 L230 I231 Y232 I249 L252 E263 A264 T267Q224-V228 WeakPolarHBondContact O-CG2 3.49Å; Q224-V228 PolarHBondContact O-N 3.37Å; L225-V228 PolarHBondContact O-N 3.35Å; V228-L230 VanDerWaalsContact C-N 3.35Å; V228-L230 PolarHBondContact O-N 2.93Å; V228-I231 PolarHBondContact O-N 2.92Å; V228-Y232 WeakPolarHBondContact O-CB 3.35Å; V228-Y232 PolarHBondContact O-N 3.46Å; V228-I249 HydrophobicContact CG2-CD1 4.35Å; V228-L252 HydrophobicContact CG2-CD1 3.55Å; V228-E263 HydrophobicContact CG1-CB 4.18Å; V228-A264 HydrophobicContact CG2-CB 4.49Å; V228-T267 HydrophobicContact CG1-CG2 4.36Å; V228-T267 VanDerWaalsContact CG1-OG1 3.22Å; V228-T267 WeakPolarHBondContact CG1-OG1 3.25Å
229E83.8Confident84.5Confident51 Ų5135.7 Ų35.724%0.23820%0.201CC..Hα-helixtrans-59.6-43.3176.4-168.5-169.4156.300112L225 V226 I227 Y232 K233 F689L225-E229 PolarHBondContact O-N 3.37Å; V226-E229 PolarHBondContact O-N 3.26Å; I227-E229 VanDerWaalsContact C-N 3.32Å; I227-E229 PolarHBondContact O-N 3.04Å; E229-Y232 PolarHBondContact O-N 3.3Å; E229-K233 HydrophobicContact CG-CD 4.5Å; E229-K233 WeakPolarHBondContact O-CG 3.46Å; E229-K233 PolarHBondContact O-N 3.39Å; E229-K233 IonicContact OE1-NZ 2.69Å; E229-K233 PolarHBondContact OE1-NZ 2.82Å; E229-F689 HydrophobicContact CG-CZ 4.46Å
230L85.1Confident84.3Confident1 Ų138.9 Ų38.91%0.00523%0.228CC..Hα-helixtrans-63.1-49.6175.3179.561.7000111.6F194 I198 A205 L209 V226 I227 V228 Y232 K233 V234F194-L230 HydrophobicContact CE1-CB 4.48Å; F194-L230 HydrophobicContact CE1-CD2 3.91Å; F194-L230 HydrophobicContact CE2-CD2 4.21Å; F194-L230 HydrophobicContact CZ-CD2 3.38Å; I198-L230 HydrophobicContact CB-CD1 4.4Å; I198-L230 HydrophobicContact CD1-CB 3.88Å; I198-L230 HydrophobicContact CD1-CD1 4.29Å; I198-L230 HydrophobicContact CD1-CD2 4.27Å; I198-L230 HydrophobicContact CD1-CG 4.36Å; I198-L230 HydrophobicContact CG1-CB 4.33Å; I198-L230 HydrophobicContact CG1-CD1 3.84Å; I198-L230 HydrophobicContact CG1-CD2 4.02Å; I198-L230 HydrophobicContact CG1-CG 4.27Å; I198-L230 HydrophobicContact CG2-CD1 3.95Å; A205-L230 HydrophobicContact CB-CD2 4.28Å; L209-L230 HydrophobicContact CD2-CD2 4.26Å; V226-L230 PolarHBondContact O-N 3.32Å; I227-L230 PolarHBondContact O-N 2.86Å; V228-L230 VanDerWaalsContact C-N 3.35Å; V228-L230 PolarHBondContact O-N 2.93Å; L230-Y232 PolarHBondContact O-N 3.01Å; L230-K233 PolarHBondContact O-N 3.41Å; L230-V234 HydrophobicContact CD1-CG2 3.54Å; L230-V234 HydrophobicContact CG-CG2 4.01Å; L230-V234 WeakPolarHBondContact O-CB 3.49Å; L230-V234 VanDerWaalsContact O-CG2 3.31Å; L230-V234 WeakPolarHBondContact O-CG2 3.42Å; L230-V234 PolarHBondContact O-N 2.78Å
231I85.9Confident84Confident0 Ų040.2 Ų40.20%023%0.225CC..Hα-helixtrans-56.1-44-179.6-73.1169.5000109.6L209 I227 V228 C235 F245 C248 I249 L271L209-I231 HydrophobicContact CD2-CG1 4.2Å; I227-I231 HydrophobicContact CG2-CD1 3.73Å; I227-I231 HydrophobicContact CG2-CG1 4.28Å; I227-I231 WeakPolarHBondContact O-CB 3.49Å; I227-I231 VanDerWaalsContact O-CG1 3.27Å; I227-I231 WeakPolarHBondContact O-CG1 3.2Å; I227-I231 PolarHBondContact O-N 3.25Å; V228-I231 PolarHBondContact O-N 2.92Å; I231-C235 WeakPolarHBondContact O-CB 3.38Å; I231-C235 PolarHBondContact O-N 3.34Å; I231-C235 PolarHBondContact O-SG 3.07Å; I231-F245 HydrophobicContact CB-CB 4.47Å; I231-F245 HydrophobicContact CD1-CB 4.33Å; I231-F245 HydrophobicContact CD1-CD1 4.12Å; I231-F245 HydrophobicContact CD1-CG 4.49Å; I231-F245 HydrophobicContact CG1-CB 4.14Å; I231-F245 HydrophobicContact CG1-CD1 3.82Å; I231-F245 HydrophobicContact CG1-CE1 4.46Å; I231-F245 HydrophobicContact CG1-CG 3.99Å; I231-F245 HydrophobicContact CG2-CB 3.59Å; I231-F245 HydrophobicContact CG2-CG 4.15Å; I231-C248 HydrophobicContact CD1-CB 4.29Å; I231-I249 HydrophobicContact CB-CD1 4.34Å; I231-I249 HydrophobicContact CD1-CD1 3.82Å; I231-I249 HydrophobicContact CD1-CG1 4.38Å; I231-I249 HydrophobicContact CG2-CD1 3.91Å; I231-I249 HydrophobicContact CG2-CG1 4Å; I231-L271 HydrophobicContact CG2-CD1 3.94Å
232Y84Confident83.8Confident12 Ų1240.7 Ų40.75%0.04722%0.221CC..Hα-helixtrans-58.6-54.4176.9-179.7-97.5000111.8V228 E229 L230 V234 C235 H236 T267 T270 D687 Q688 F689V228-Y232 WeakPolarHBondContact O-CB 3.35Å; V228-Y232 PolarHBondContact O-N 3.46Å; E229-Y232 PolarHBondContact O-N 3.3Å; L230-Y232 PolarHBondContact O-N 3.01Å; Y232-V234 PolarHBondContact O-N 3Å; Y232-C235 PolarHBondContact O-N 3.49Å; Y232-H236 WeakPolarHBondContact O-CB 3.21Å; Y232-H236 PolarHBondContact O-N 3.08Å; Y232-T267 HydrophobicContact CD2-CG2 4.19Å; Y232-T270 HydrophobicContact CE2-CG2 3.78Å; Y232-D687 WeakPolarHBondContact CE1-OD1 3.42Å; Y232-D687 WeakPolarHBondContact OH-CA 3.36Å; Y232-D687 PolarHBondContact OH-OD1 3.09Å; Y232-Q688 PolarHBondContact OH-N 3.25Å; Y232-F689 HydrophobicContact CE1-CB 4.26Å
233K82.7Confident83.5Confident68 Ų6840.4 Ų40.430%0.29623%0.232SC..Hα-helixtrans-60.1-45.6179.6-75.5175173.2167.60112.7E229 L230 H236 A237E229-K233 HydrophobicContact CG-CD 4.5Å; E229-K233 WeakPolarHBondContact O-CG 3.46Å; E229-K233 PolarHBondContact O-N 3.39Å; E229-K233 IonicContact OE1-NZ 2.69Å; E229-K233 PolarHBondContact OE1-NZ 2.82Å; L230-K233 PolarHBondContact O-N 3.41Å; K233-H236 PolarHBondContact O-N 2.84Å; K233-A237 PolarHBondContact O-N 2.87Å
234V82Confident83.2Confident5 Ų545.7 Ų45.73%0.0325%0.252CS..Hα-helixtrans-68.9-43.3-177.7171.20000111.1L206 L230 Y232 H236 A237 N238 F245L206-V234 HydrophobicContact CD1-CG1 4.15Å; L206-V234 HydrophobicContact CD1-CG2 4.43Å; L206-V234 HydrophobicContact CD2-CB 4.44Å; L206-V234 HydrophobicContact CD2-CG1 3.97Å; L206-V234 HydrophobicContact CD2-CG2 3.99Å; L230-V234 HydrophobicContact CD1-CG2 3.54Å; L230-V234 HydrophobicContact CG-CG2 4.01Å; L230-V234 WeakPolarHBondContact O-CB 3.49Å; L230-V234 VanDerWaalsContact O-CG2 3.31Å; L230-V234 WeakPolarHBondContact O-CG2 3.42Å; L230-V234 PolarHBondContact O-N 2.78Å; Y232-V234 PolarHBondContact O-N 3Å; V234-H236 PolarHBondContact O-N 2.94Å; V234-A237 PolarHBondContact O-N 3.36Å; V234-N238 WeakPolarHBondContact O-CA 3.48Å; V234-N238 PolarHBondContact O-N 3.48Å; V234-F245 HydrophobicContact CG1-CE2 4.23Å
235C81.3Confident83Confident0 Ų045.5 Ų45.50%025%0.251CS..Hα-helixtrans-70.7-20.6179-69.50000113.3I231 Y232 R242 L271I231-C235 WeakPolarHBondContact O-CB 3.38Å; I231-C235 PolarHBondContact O-N 3.34Å; I231-C235 PolarHBondContact O-SG 3.07Å; Y232-C235 PolarHBondContact O-N 3.49Å; C235-R242 HydrophobicContact CB-CG 3.85Å; C235-R242 PolarHBondContact O-NE 3.05Å; C235-R242 VanDerWaalsContact O-NE 3.08Å; C235-R242 PolarHBondContact O-NH2 3.26Å; C235-L271 HydrophobicContact CB-CD1 4.02Å; C235-L271 HydrophobicContact CB-CD2 3.36Å; C235-L271 HydrophobicContact CB-CG 4.31Å
236H78.3Confident82.9Confident68 Ų6844.4 Ų44.432%0.31525%0.245SC..Hα-helixtrans-75.4-48.7170.3-164.498.6000110.9Y232 K233 V234Y232-H236 WeakPolarHBondContact O-CB 3.21Å; Y232-H236 PolarHBondContact O-N 3.08Å; K233-H236 PolarHBondContact O-N 2.84Å; V234-H236 PolarHBondContact O-N 2.94Å
237A81.1Confident82.8Confident66 Ų6651.4 Ų51.455%0.54527%0.27SS..Hα-helixtrans-66.2-44.5178.200000112.7K233 V234K233-A237 PolarHBondContact O-N 2.87Å; V234-A237 PolarHBondContact O-N 3.36Å
238N80.3Confident82.7Confident88 Ų8851.4 Ų51.447%0.47127%0.27SS..  trans-126.292.7-174-67.7-25.4000111.1V234 S240 E241V234-N238 WeakPolarHBondContact O-CA 3.48Å; V234-N238 PolarHBondContact O-N 3.48Å; N238-S240 PolarHBondContact O-N 3.37Å; N238-S240 VanDerWaalsContact O-N 3.13Å; N238-E241 PolarHBondContact O-N 3Å
239P80.1Confident82.7Confident75 Ų7551.2 Ų51.249%0.48727%0.269SS..G310 helixtrans-61.9-19.1-179.3-27.336.4000115.8E241 R242P239-E241 VanDerWaalsContact C-N 3.32Å; P239-E241 PolarHBondContact O-N 3.36Å; P239-R242 WeakPolarHBondContact O-CB 3.43Å; P239-R242 WeakPolarHBondContact O-CD 3.49Å; P239-R242 VanDerWaalsContact O-CG 3.29Å; P239-R242 WeakPolarHBondContact O-CG 3.5Å; P239-R242 PolarHBondContact O-N 3Å
240S81.3Confident82.9Confident98 Ų9852.1 Ų52.169%0.68527%0.271SS*.G310 helixtrans-64.9-32.5179.5520000113.2N238 R242N238-S240 PolarHBondContact O-N 3.37Å; N238-S240 VanDerWaalsContact O-N 3.13Å; S240-R242 VanDerWaalsContact C-N 3.28Å; S240-R242 PolarHBondContact O-N 3.21Å
241E78Confident83Confident60 Ų6054.6 Ų54.628%0.2828%0.284SS..G310 helixtrans-81-5.8-177.9-66.5-59.2126.600113.2N238 P239 A243 R244 F245N238-E241 PolarHBondContact O-N 3Å; P239-E241 VanDerWaalsContact C-N 3.32Å; P239-E241 PolarHBondContact O-N 3.36Å; E241-A243 VanDerWaalsContact C-N 3.33Å; E241-A243 PolarHBondContact O-N 2.73Å; E241-R244 WeakPolarHBondContact O-CB 3.27Å; E241-R244 PolarHBondContact O-N 3.1Å; E241-R244 VanDerWaalsContact O-N 3.1Å; E241-R244 WeakPolarHBondContact OE2-CD 3.43Å; E241-R244 IonicContact OE2-NH1 2.69Å; E241-R244 PolarHBondContact OE2-NH1 2.96Å; E241-F245 HydrophobicContact CB-CD2 4.03Å; E241-F245 HydrophobicContact CB-CE2 3.83Å; E241-F245 WeakPolarHBondContact O-CD2 3.21Å; E241-F245 PolarHBondContact O-N 3.16Å
242R82.6Confident83.2Confident91 Ų9154.6 Ų54.634%0.34328%0.284SS..Hα-helixtrans-54.5-46.8-177.1-74.7176.6-176.2176.63.4112.8C235 P239 S240 R244 F245 I246C235-R242 HydrophobicContact CB-CG 3.85Å; C235-R242 PolarHBondContact O-NE 3.05Å; C235-R242 VanDerWaalsContact O-NE 3.08Å; C235-R242 PolarHBondContact O-NH2 3.26Å; P239-R242 WeakPolarHBondContact O-CB 3.43Å; P239-R242 WeakPolarHBondContact O-CD 3.49Å; P239-R242 VanDerWaalsContact O-CG 3.29Å; P239-R242 WeakPolarHBondContact O-CG 3.5Å; P239-R242 PolarHBondContact O-N 3Å; S240-R242 VanDerWaalsContact C-N 3.28Å; S240-R242 PolarHBondContact O-N 3.21Å; R242-R244 PolarHBondContact O-N 2.98Å; R242-F245 PolarHBondContact O-N 3.19Å; R242-I246 HydrophobicContact CB-CD1 4.46Å; R242-I246 WeakPolarHBondContact O-CD1 3.34Å; R242-I246 WeakPolarHBondContact O-CG1 3.34Å; R242-I246 PolarHBondContact O-N 3.32Å
243A80.3Confident83.4Confident84 Ų8455 Ų5569%0.69429%0.287SS*.Hα-helixtrans-59.9-34.3-177.200000112.2E241E241-A243 VanDerWaalsContact C-N 3.33Å; E241-A243 PolarHBondContact O-N 2.73Å
244R79.4Confident83.6Confident114 Ų11459.6 Ų59.643%0.4331%0.31SS..Hα-helixtrans-69.4-45.2179.9-170-176.9-169.9174.65.3111.8S210 I213 E241 R242S210-R244 PolarHBondContact OG-NH1 3.45Å; S210-R244 PolarHBondContact OG-NH2 3.35Å; I213-R244 HydrophobicContact CD1-CG 4.25Å; E241-R244 WeakPolarHBondContact O-CB 3.27Å; E241-R244 PolarHBondContact O-N 3.1Å; E241-R244 VanDerWaalsContact O-N 3.1Å; E241-R244 WeakPolarHBondContact OE2-CD 3.43Å; E241-R244 IonicContact OE2-NH1 2.69Å; E241-R244 PolarHBondContact OE2-NH1 2.96Å; R242-R244 PolarHBondContact O-N 2.98Å
245F85.4Confident83.8Confident0 Ų059.8 Ų59.80%031%0.311CS..Hα-helixtrans-85.5-21.6-174.9-65.8-60.1000114.6L206 L209 I213 I231 V234 E241 R242 R247 C248 I249L206-F245 HydrophobicContact CD2-CE2 4.1Å; L206-F245 HydrophobicContact CD2-CZ 3.67Å; L209-F245 HydrophobicContact CD2-CD1 4.14Å; L209-F245 HydrophobicContact CD2-CE1 3.48Å; L209-F245 VanDerWaalsContact CD2-CE1 3.48Å; L209-F245 HydrophobicContact CD2-CZ 4.19Å; L209-F245 HydrophobicContact CG-CE1 4.06Å; I213-F245 HydrophobicContact CD1-CD1 4Å; I213-F245 HydrophobicContact CD1-CE1 4.15Å; I231-F245 HydrophobicContact CB-CB 4.47Å; I231-F245 HydrophobicContact CD1-CB 4.33Å; I231-F245 HydrophobicContact CD1-CD1 4.12Å; I231-F245 HydrophobicContact CD1-CG 4.49Å; I231-F245 HydrophobicContact CG1-CB 4.14Å; I231-F245 HydrophobicContact CG1-CD1 3.82Å; I231-F245 HydrophobicContact CG1-CE1 4.46Å; I231-F245 HydrophobicContact CG1-CG 3.99Å; I231-F245 HydrophobicContact CG2-CB 3.59Å; I231-F245 HydrophobicContact CG2-CG 4.15Å; V234-F245 HydrophobicContact CG1-CE2 4.23Å; E241-F245 HydrophobicContact CB-CD2 4.03Å; E241-F245 HydrophobicContact CB-CE2 3.83Å; E241-F245 WeakPolarHBondContact O-CD2 3.21Å; E241-F245 PolarHBondContact O-N 3.16Å; R242-F245 PolarHBondContact O-N 3.19Å; F245-R247 PolarHBondContact O-N 3.39Å; F245-C248 WeakPolarHBondContact O-CA 3.4Å; F245-C248 VanDerWaalsContact O-CB 3.29Å; F245-C248 WeakPolarHBondContact O-CB 3.33Å; F245-C248 PolarHBondContact O-N 3.47Å; F245-I249 PolarHBondContact O-N 3.47Å
246I85.3Confident84Confident37 Ų3765.6 Ų65.619%0.1935%0.352CS..Hα-helixtrans-55-41.9175.5-77.9165.6000111.2R242 C248 I249 Y250 L268R242-I246 HydrophobicContact CB-CD1 4.46Å; R242-I246 WeakPolarHBondContact O-CD1 3.34Å; R242-I246 WeakPolarHBondContact O-CG1 3.34Å; R242-I246 PolarHBondContact O-N 3.32Å; I246-C248 VanDerWaalsContact C-N 3.31Å; I246-C248 PolarHBondContact O-N 2.96Å; I246-I249 PolarHBondContact O-N 2.95Å; I246-Y250 HydrophobicContact CG2-CD2 3.66Å; I246-Y250 HydrophobicContact CG2-CE2 3.47Å; I246-Y250 VanDerWaalsContact CG2-CE2 3.47Å; I246-Y250 VanDerWaalsContact O-CD2 3.23Å; I246-Y250 WeakPolarHBondContact O-CD2 3.46Å; I246-Y250 PolarHBondContact O-N 2.95Å; I246-L268 HydrophobicContact CG2-CD1 4.4Å
247R84.5Confident84.5Confident156 Ų15663.1 Ų63.159%0.58934%0.342SS*.Hα-helixtrans-60-40.1175.2176.2176.2154.9167.9-6.9112.2D214 F245 Y250 N251D214-R247 IonicContact OD1-CZ 3.78Å; D214-R247 IonicContact OD1-NE 3.52Å; D214-R247 IonicContact OD1-NH2 3.67Å; D214-R247 PolarHBondContact OD1-NH2 3.09Å; D214-R247 IonicContact OD2-NH2 2.87Å; F245-R247 PolarHBondContact O-N 3.39Å; R247-Y250 PolarHBondContact O-N 2.8Å; R247-N251 PolarHBondContact O-N 3Å
248C86.4Confident84.8Confident1 Ų162.4 Ų62.41%0.00733%0.332CS..Hα-helixtrans-64.6-43.4176.3-172.80000111.5I213 I231 F245 I246 Y250 N251 L252I213-C248 HydrophobicContact CD1-CB 4.18Å; I213-C248 HydrophobicContact CG1-CB 3.82Å; I231-C248 HydrophobicContact CD1-CB 4.29Å; F245-C248 WeakPolarHBondContact O-CA 3.4Å; F245-C248 VanDerWaalsContact O-CB 3.29Å; F245-C248 WeakPolarHBondContact O-CB 3.33Å; F245-C248 PolarHBondContact O-N 3.47Å; I246-C248 VanDerWaalsContact C-N 3.31Å; I246-C248 PolarHBondContact O-N 2.96Å; C248-Y250 VanDerWaalsContact C-N 3.35Å; C248-Y250 PolarHBondContact O-N 3.04Å; C248-N251 WeakPolarHBondContact O-CB 3.13Å; C248-N251 PolarHBondContact O-N 2.89Å; C248-L252 WeakPolarHBondContact O-CG 3.01Å; C248-L252 PolarHBondContact O-N 3.37Å; C248-L252 VanDerWaalsContact O-N 3.08Å
249I89.2Confident85.2Confident0 Ų060.5 Ų60.50%033%0.329CS..Hα-helixtrans-62.8-40.7177.4-63.2-61000111.3V228 I231 F245 I246 N251 L252 L253 A264 T267 L268V228-I249 HydrophobicContact CG2-CD1 4.35Å; I231-I249 HydrophobicContact CB-CD1 4.34Å; I231-I249 HydrophobicContact CD1-CD1 3.82Å; I231-I249 HydrophobicContact CD1-CG1 4.38Å; I231-I249 HydrophobicContact CG2-CD1 3.91Å; I231-I249 HydrophobicContact CG2-CG1 4Å; F245-I249 PolarHBondContact O-N 3.47Å; I246-I249 PolarHBondContact O-N 2.95Å; I249-N251 VanDerWaalsContact C-N 3.3Å; I249-N251 PolarHBondContact O-N 3.09Å; I249-L252 HydrophobicContact CD1-CD1 4.3Å; I249-L252 WeakPolarHBondContact O-CB 3.11Å; I249-L252 PolarHBondContact O-N 3.28Å; I249-L253 PolarHBondContact O-N 3.18Å; I249-A264 HydrophobicContact CG2-CB 4.29Å; I249-A264 VanDerWaalsContact CG2-O 3.28Å; I249-A264 WeakPolarHBondContact CG2-O 3.49Å; I249-T267 HydrophobicContact CD1-CG2 4.05Å; I249-T267 HydrophobicContact CG1-CG2 4.42Å; I249-L268 HydrophobicContact CG2-CB 3.77Å; I249-L268 HydrophobicContact CG2-CD1 4.16Å; I249-L268 HydrophobicContact CG2-CG 4.39Å
250Y88.6Confident85.7Confident71 Ų7157 Ų5728%0.27831%0.305SS..Hα-helixtrans-58.3-40173.9-86.9-69.6000113I246 R247 C248 L252 L253 L268 T276 A277 A280I246-Y250 HydrophobicContact CG2-CD2 3.66Å; I246-Y250 HydrophobicContact CG2-CE2 3.47Å; I246-Y250 VanDerWaalsContact CG2-CE2 3.47Å; I246-Y250 VanDerWaalsContact O-CD2 3.23Å; I246-Y250 WeakPolarHBondContact O-CD2 3.46Å; I246-Y250 PolarHBondContact O-N 2.95Å; R247-Y250 PolarHBondContact O-N 2.8Å; C248-Y250 VanDerWaalsContact C-N 3.35Å; C248-Y250 PolarHBondContact O-N 3.04Å; Y250-L252 VanDerWaalsContact C-N 3.31Å; Y250-L253 HydrophobicContact CD1-CD1 4.13Å; Y250-L253 PolarHBondContact O-N 3.33Å; Y250-L268 HydrophobicContact CD1-CD2 4.4Å; Y250-L268 HydrophobicContact CE1-CD2 4.08Å; Y250-L268 HydrophobicContact CE2-CD1 4.39Å; Y250-T276 PolarHBondContact OH-O 3.3Å; Y250-A277 WeakPolarHBondContact OH-CA 3.41Å; Y250-A277 PolarHBondContact OH-N 3.03Å; Y250-A280 HydrophobicContact CD1-CB 4.3Å; Y250-A280 HydrophobicContact CE1-CB 3.6Å
251N87.1Confident86.1Confident53 Ų5354.3 Ų54.328%0.28328%0.282SS..Hα-helixtrans-66.2-35.7175-68.3-16.5000111.6R247 C248 I249 L253 Q254R247-N251 PolarHBondContact O-N 3Å; C248-N251 WeakPolarHBondContact O-CB 3.13Å; C248-N251 PolarHBondContact O-N 2.89Å; I249-N251 VanDerWaalsContact C-N 3.3Å; I249-N251 PolarHBondContact O-N 3.09Å; N251-L253 PolarHBondContact O-N 3.49Å; N251-Q254 PolarHBondContact O-N 3.49Å
252L89.3Confident86.7Confident0 Ų053.8 Ų53.80%028%0.277CS..Hα-helixtrans-71.1-25.3179.1-73.8175.1000113.8V216 Q224 V228 C248 I249 Y250 Q254 S255 V260 A264V216-L252 HydrophobicContact CG1-CD1 4.19Å; V216-L252 HydrophobicContact CG1-CD2 3.8Å; V216-L252 HydrophobicContact CG1-CG 4.2Å; Q224-L252 HydrophobicContact CB-CD2 4.05Å; Q224-L252 HydrophobicContact CG-CD2 3.86Å; V228-L252 HydrophobicContact CG2-CD1 3.55Å; C248-L252 WeakPolarHBondContact O-CG 3.01Å; C248-L252 PolarHBondContact O-N 3.37Å; C248-L252 VanDerWaalsContact O-N 3.08Å; I249-L252 HydrophobicContact CD1-CD1 4.3Å; I249-L252 WeakPolarHBondContact O-CB 3.11Å; I249-L252 PolarHBondContact O-N 3.28Å; Y250-L252 VanDerWaalsContact C-N 3.31Å; L252-Q254 PolarHBondContact O-N 3.28Å; L252-Q254 VanDerWaalsContact O-N 3.15Å; L252-S255 WeakPolarHBondContact O-CB 3.49Å; L252-S255 PolarHBondContact O-N 2.95Å; L252-V260 HydrophobicContact CB-CG1 4.34Å; L252-V260 HydrophobicContact CD2-CG1 4Å; L252-A264 HydrophobicContact CB-CB 3.96Å
253L88.7Confident87.1Confident19 Ų1952.8 Ų52.810%0.09928%0.276CS..THydrogen-bonded Turntrans-59.6-22.6170.6-65.8179.3000112.7I249 Y250 N251 A264 A265 L268 A280 C284I249-L253 PolarHBondContact O-N 3.18Å; Y250-L253 HydrophobicContact CD1-CD1 4.13Å; Y250-L253 PolarHBondContact O-N 3.33Å; N251-L253 PolarHBondContact O-N 3.49Å; L253-A264 HydrophobicContact CD2-CB 4.03Å; L253-A265 HydrophobicContact CD2-CB 3.86Å; L253-L268 HydrophobicContact CD1-CD2 3.75Å; L253-A280 HydrophobicContact CD1-CB 4.1Å; L253-C284 HydrophobicContact CD2-CB 4.08Å
254Q86.3Confident87.6Confident166 Ų16648.8 Ų48.878%0.77624%0.243SC*.THydrogen-bonded Turntrans-94.15.9177.7-59-176.6-2.200113.5N251 L252N251-Q254 PolarHBondContact O-N 3.49Å; L252-Q254 PolarHBondContact O-N 3.28Å; L252-Q254 VanDerWaalsContact O-N 3.15Å
255S86.9Confident88.1Confident8 Ų843.3 Ų43.36%0.05622%0.223CC..  trans-56.9158.7179.5-176.90000112.1Q224 L252 S257 K261Q224-S255 PolarHBondContact OE1-OG 3.28Å; L252-S255 WeakPolarHBondContact O-CB 3.49Å; L252-S255 PolarHBondContact O-N 2.95Å; S255-S257 VanDerWaalsContact C-N 3.33Å; S255-S257 PolarHBondContact OG-N 3.46Å; S255-K261 WeakPolarHBondContact O-CE 3.39Å; S255-K261 PolarHBondContact O-NZ 3.47Å
256S85.1Confident88.2Confident122 Ų12243.8 Ų43.885%0.85323%0.228SC*.SBendtrans-75.2-24.8173.4540000112.5
257S88.7Confident88.4Confident17 Ų1742.4 Ų42.412%0.11922%0.221CC..  trans-84.6125.1-175.4179.30000112.2S255 A259 V260 K261S255-S257 VanDerWaalsContact C-N 3.33Å; S255-S257 PolarHBondContact OG-N 3.46Å; S257-A259 VanDerWaalsContact C-N 3.32Å; S257-A259 PolarHBondContact O-N 2.88Å; S257-V260 PolarHBondContact O-N 3.4Å; S257-K261 PolarHBondContact O-N 3.4Å; S257-K261 VanDerWaalsContact O-N 3.17Å
258P87.8Confident88.6Confident51 Ų5135 Ų3533%0.33119%0.193SC..Hα-helixtrans-59.9-38.5175.6-23.933.9000113.4V260 K261 Y262 L288 E292P258-V260 PolarHBondContact O-N 3.02Å; P258-K261 WeakPolarHBondContact O-CB 3.3Å; P258-K261 PolarHBondContact O-N 3.37Å; P258-Y262 WeakPolarHBondContact O-CB 3.42Å; P258-Y262 PolarHBondContact O-N 2.97Å; P258-L288 HydrophobicContact CB-CD1 3.97Å; P258-L288 WeakPolarHBondContact O-CD1 3.35Å; P258-E292 WeakPolarHBondContact CB-OE1 3.41Å; P258-E292 WeakPolarHBondContact CG-OE1 3.41Å
259A88.6Confident88.6Confident48 Ų4835.5 Ų35.540%0.39720%0.196SC..Hα-helixtrans-62.4-43.1178.900000111.7L225 S257 K261 Y262 E263L225-A259 HydrophobicContact CD2-CB 4.44Å; S257-A259 VanDerWaalsContact C-N 3.32Å; S257-A259 PolarHBondContact O-N 2.88Å; A259-K261 PolarHBondContact O-N 2.96Å; A259-Y262 PolarHBondContact O-N 3.17Å; A259-E263 PolarHBondContact O-N 3.24Å; A259-E263 VanDerWaalsContact O-N 3.09Å
260V90.1Very high88.3Confident0 Ų036.2 Ų36.20%020%0.2CC..Hα-helixtrans-64.1-42.1177.1177.60000110.8D221 Q224 L225 L252 S257 P258 A264D221-V260 HydrophobicContact CB-CG2 4.16Å; Q224-V260 HydrophobicContact CB-CG1 3.98Å; Q224-V260 HydrophobicContact CB-CG2 3.9Å; L225-V260 HydrophobicContact CD2-CB 4.48Å; L225-V260 HydrophobicContact CD2-CG2 3.93Å; L225-V260 HydrophobicContact CG-CG2 3.9Å; L252-V260 HydrophobicContact CB-CG1 4.34Å; L252-V260 HydrophobicContact CD2-CG1 4Å; S257-V260 PolarHBondContact O-N 3.4Å; P258-V260 PolarHBondContact O-N 3.02Å; V260-A264 WeakPolarHBondContact O-CB 3.32Å; V260-A264 PolarHBondContact O-N 3Å
261K90.9Very high88.1Confident43 Ų4333.5 Ų33.519%0.18719%0.191CC..Hα-helixtrans-60.4-46.8176.6-73.7-171.3-169.7-179.70112.6S255 S257 P258 A259 A264 A265 L288S255-K261 WeakPolarHBondContact O-CE 3.39Å; S255-K261 PolarHBondContact O-NZ 3.47Å; S257-K261 PolarHBondContact O-N 3.4Å; S257-K261 VanDerWaalsContact O-N 3.17Å; P258-K261 WeakPolarHBondContact O-CB 3.3Å; P258-K261 PolarHBondContact O-N 3.37Å; A259-K261 PolarHBondContact O-N 2.96Å; K261-A264 PolarHBondContact O-N 3.49Å; K261-A265 VanDerWaalsContact O-CB 3.29Å; K261-A265 WeakPolarHBondContact O-CB 3.36Å; K261-A265 PolarHBondContact O-N 2.91Å; K261-L288 HydrophobicContact CB-CD1 4.13Å
262Y90.5Very high87.9Confident48 Ų4831.9 Ų31.919%0.18818%0.184CC..Hα-helixtrans-60.9-49.5-179.1178.2-97.3000111.4P258 A259 A265 G266 Y285 V301 R304P258-Y262 WeakPolarHBondContact O-CB 3.42Å; P258-Y262 PolarHBondContact O-N 2.97Å; A259-Y262 PolarHBondContact O-N 3.17Å; Y262-A265 PolarHBondContact O-N 3.27Å; Y262-G266 PolarHBondContact O-N 3.19Å; Y262-G266 VanDerWaalsContact O-N 3.08Å; Y262-Y285 HydrophobicContact CD2-CD1 4.18Å; Y262-Y285 AromaticContact CD2-CE1 3.71Å; Y262-Y285 HydrophobicContact CD2-CE1 3.71Å; Y262-Y285 HydrophobicContact CE2-CE1 4.01Å; Y262-Y285 HydrophobicContact CG-CE1 4.49Å; Y262-V301 HydrophobicContact CD2-CG2 3.83Å; Y262-V301 HydrophobicContact CE2-CG2 3.84Å; Y262-R304 HydrophobicContact CE2-CG 4.26Å; Y262-R304 WeakPolarHBondContact OH-CG 3.42Å
263E89.3Confident87.6Confident70 Ų7036.1 Ų36.133%0.32721%0.213SC..Hα-helixtrans-68.7-39179.1-69.8-59.315200112.7L225 V228 A259 G266 T267L225-E263 HydrophobicContact CD2-CB 4.32Å; L225-E263 HydrophobicContact CD2-CG 4.1Å; V228-E263 HydrophobicContact CG1-CB 4.18Å; A259-E263 PolarHBondContact O-N 3.24Å; A259-E263 VanDerWaalsContact O-N 3.09Å; E263-G266 PolarHBondContact O-N 3.4Å; E263-T267 VanDerWaalsContact O-CB 3.3Å; E263-T267 WeakPolarHBondContact O-CB 3.42Å; E263-T267 PolarHBondContact O-N 3.37Å; E263-T267 PolarHBondContact O-OG1 2.86Å
264A90.8Very high87.4Confident0 Ų037 Ų370%022%0.223CC..Hα-helixtrans-63.9-40.6175.900000111.7V228 I249 L252 L253 V260 K261 L268V228-A264 HydrophobicContact CG2-CB 4.49Å; I249-A264 HydrophobicContact CG2-CB 4.29Å; I249-A264 VanDerWaalsContact CG2-O 3.28Å; I249-A264 WeakPolarHBondContact CG2-O 3.49Å; L252-A264 HydrophobicContact CB-CB 3.96Å; L253-A264 HydrophobicContact CD2-CB 4.03Å; V260-A264 WeakPolarHBondContact O-CB 3.32Å; V260-A264 PolarHBondContact O-N 3Å; K261-A264 PolarHBondContact O-N 3.49Å; A264-L268 WeakPolarHBondContact O-CB 3.43Å; A264-L268 PolarHBondContact O-N 2.93Å
265A90.2Very high87.4Confident0 Ų033.1 Ų33.10%021%0.212CC..Hα-helixtrans-65-43.7175.800000111.9L253 K261 Y262 L268 V269 A281 C284 Y285L253-A265 HydrophobicContact CD2-CB 3.86Å; K261-A265 VanDerWaalsContact O-CB 3.29Å; K261-A265 WeakPolarHBondContact O-CB 3.36Å; K261-A265 PolarHBondContact O-N 2.91Å; Y262-A265 PolarHBondContact O-N 3.27Å; A265-L268 PolarHBondContact O-N 3.45Å; A265-V269 WeakPolarHBondContact O-CG2 3.44Å; A265-V269 PolarHBondContact O-N 2.87Å; A265-V269 VanDerWaalsContact O-N 3.07Å; A265-A281 HydrophobicContact CB-CB 4.16Å; A265-C284 HydrophobicContact CB-CB 4.36Å; A265-Y285 HydrophobicContact CB-CD1 4.13Å; A265-Y285 HydrophobicContact CB-CE1 3.59Å; A265-Y285 HydrophobicContact CB-CE2 4.05Å
266G88.9Confident87.5Confident10 Ų1037.5 Ų37.510%0.10324%0.239CC..Hα-helixtrans-64.8-42.5177.800000112.2Y262 E263 L268 V269 T270 Y285Y262-G266 PolarHBondContact O-N 3.19Å; Y262-G266 VanDerWaalsContact O-N 3.08Å; E263-G266 PolarHBondContact O-N 3.4Å; G266-L268 PolarHBondContact O-N 3.31Å; G266-V269 PolarHBondContact O-N 3.23Å; G266-T270 PolarHBondContact O-N 3.15Å; G266-T270 VanDerWaalsContact O-N 3.13Å; G266-T270 PolarHBondContact O-OG1 2.91Å; G266-T270 VanDerWaalsContact O-OG1 3.12Å; G266-Y285 WeakPolarHBondContact CA-OH 3.17Å; G266-Y285 PolarHBondContact N-OH 2.77Å
267T87.9Confident87.7Confident7 Ų731.7 Ų31.74%0.04320%0.198CC..Hα-helixtrans-60-45.5172.6-60.80000110.8V228 Y232 I249 E263 V269 T270 L271V228-T267 HydrophobicContact CG1-CG2 4.36Å; V228-T267 VanDerWaalsContact CG1-OG1 3.22Å; V228-T267 WeakPolarHBondContact CG1-OG1 3.25Å; Y232-T267 HydrophobicContact CD2-CG2 4.19Å; I249-T267 HydrophobicContact CD1-CG2 4.05Å; I249-T267 HydrophobicContact CG1-CG2 4.42Å; E263-T267 VanDerWaalsContact O-CB 3.3Å; E263-T267 WeakPolarHBondContact O-CB 3.42Å; E263-T267 PolarHBondContact O-N 3.37Å; E263-T267 PolarHBondContact O-OG1 2.86Å; T267-V269 PolarHBondContact O-N 3.38Å; T267-T270 PolarHBondContact O-N 3.49Å; T267-T270 VanDerWaalsContact O-N 3.13Å; T267-L271 HydrophobicContact CG2-CD1 3.64Å; T267-L271 HydrophobicContact CG2-CG 4.01Å; T267-L271 WeakPolarHBondContact O-CB 3.19Å; T267-L271 VanDerWaalsContact O-CG 3.24Å; T267-L271 WeakPolarHBondContact O-CG 3.37Å; T267-L271 PolarHBondContact O-N 3.36Å
268L88.7Confident87.7Confident0 Ų031 Ų310%019%0.193CC..Hα-helixtrans-60.5-45.3-179.2-174.158.2000112.9I246 I249 Y250 L253 A264 A265 G266 T270 L271 S272 A277 A280 A281I246-L268 HydrophobicContact CG2-CD1 4.4Å; I249-L268 HydrophobicContact CG2-CB 3.77Å; I249-L268 HydrophobicContact CG2-CD1 4.16Å; I249-L268 HydrophobicContact CG2-CG 4.39Å; Y250-L268 HydrophobicContact CD1-CD2 4.4Å; Y250-L268 HydrophobicContact CE1-CD2 4.08Å; Y250-L268 HydrophobicContact CE2-CD1 4.39Å; L253-L268 HydrophobicContact CD1-CD2 3.75Å; A264-L268 WeakPolarHBondContact O-CB 3.43Å; A264-L268 PolarHBondContact O-N 2.93Å; A265-L268 PolarHBondContact O-N 3.45Å; G266-L268 PolarHBondContact O-N 3.31Å; L268-T270 VanDerWaalsContact C-N 3.26Å; L268-T270 PolarHBondContact O-N 3.36Å; L268-L271 PolarHBondContact O-N 2.98Å; L268-S272 PolarHBondContact O-N 3.36Å; L268-A277 HydrophobicContact CD1-CB 4.02Å; L268-A277 HydrophobicContact CD2-CB 4.29Å; L268-A277 HydrophobicContact CG-CB 4.02Å; L268-A280 HydrophobicContact CD2-CB 4.47Å; L268-A281 HydrophobicContact CD2-CB 4.37Å
269V86.9Confident87.9Confident12 Ų1232.9 Ų32.97%0.07320%0.196CC..Hα-helixtrans-60.9-38.3176.4171.70000111A265 G266 T267 I278 A281 L308A265-V269 WeakPolarHBondContact O-CG2 3.44Å; A265-V269 PolarHBondContact O-N 2.87Å; A265-V269 VanDerWaalsContact O-N 3.07Å; G266-V269 PolarHBondContact O-N 3.23Å; T267-V269 PolarHBondContact O-N 3.38Å; V269-I278 HydrophobicContact CB-CD1 4.23Å; V269-I278 HydrophobicContact CG1-CD1 3.99Å; V269-I278 HydrophobicContact CG2-CD1 4.07Å; V269-A281 HydrophobicContact CG2-CB 3.55Å; V269-L308 HydrophobicContact CB-CD2 4.38Å; V269-L308 HydrophobicContact CG1-CD2 3.49Å; V269-L308 VanDerWaalsContact CG1-CD2 3.49Å; V269-L308 HydrophobicContact CG2-CD1 4.49Å; V269-L308 HydrophobicContact CG2-CD2 4.04Å
270T83.9Confident88Confident15 Ų1531.9 Ų31.99%0.09219%0.188CC..Hα-helixtrans-69.9-42.6179.7-61.50000111.7Y232 G266 T267 L268 K685 Q688Y232-T270 HydrophobicContact CE2-CG2 3.78Å; G266-T270 PolarHBondContact O-N 3.15Å; G266-T270 VanDerWaalsContact O-N 3.13Å; G266-T270 PolarHBondContact O-OG1 2.91Å; G266-T270 VanDerWaalsContact O-OG1 3.12Å; T267-T270 PolarHBondContact O-N 3.49Å; T267-T270 VanDerWaalsContact O-N 3.13Å; L268-T270 VanDerWaalsContact C-N 3.26Å; L268-T270 PolarHBondContact O-N 3.36Å; T270-K685 HydrophobicContact CG2-CD 4.18Å; T270-K685 PolarHBondContact O-NZ 3.01Å; T270-Q688 PolarHBondContact OG1-OE1 3.3Å; T270-Q688 VanDerWaalsContact OG1-OE1 3.06Å
271L83.6Confident88.1Confident15 Ų1531.9 Ų31.98%0.07919%0.188CC..Hα-helixtrans-77.9-29.9-175.1-64.7-173.5000114I231 C235 T267 L268I231-L271 HydrophobicContact CG2-CD1 3.94Å; C235-L271 HydrophobicContact CB-CD1 4.02Å; C235-L271 HydrophobicContact CB-CD2 3.36Å; C235-L271 HydrophobicContact CB-CG 4.31Å; T267-L271 HydrophobicContact CG2-CD1 3.64Å; T267-L271 HydrophobicContact CG2-CG 4.01Å; T267-L271 WeakPolarHBondContact O-CB 3.19Å; T267-L271 VanDerWaalsContact O-CG 3.24Å; T267-L271 WeakPolarHBondContact O-CG 3.37Å; T267-L271 PolarHBondContact O-N 3.36Å; L268-L271 PolarHBondContact O-N 2.98Å
272S83.4Confident88.1Confident19 Ų1929.9 Ų29.913%0.13318%0.179CC..  trans-136.4127.1-175.4-175.40000112.2L268 A274 A277 I278L268-S272 PolarHBondContact O-N 3.36Å; S272-A274 VanDerWaalsContact C-N 3.33Å; S272-A274 WeakPolarHBondContact OG-CB 3.5Å; S272-A274 PolarHBondContact OG-N 2.97Å; S272-A277 WeakPolarHBondContact OG-CB 3.33Å; S272-I278 WeakPolarHBondContact O-CD1 3.09Å
273S81.6Confident88.3Confident89 Ų8930 Ų3062%0.62218%0.182SC*.  trans-93.69.9170.160.80000112.8
274A85.8Confident88.4Confident36 Ų3627.2 Ų27.230%0.29817%0.17SC..  trans-67.3135.4178.800000110.2S272 T276 A277 I278S272-A274 VanDerWaalsContact C-N 3.33Å; S272-A274 WeakPolarHBondContact OG-CB 3.5Å; S272-A274 PolarHBondContact OG-N 2.97Å; A274-T276 PolarHBondContact O-N 3.26Å; A274-T276 VanDerWaalsContact O-N 3.08Å; A274-A277 HydrophobicContact CB-CB 4.36Å; A274-A277 WeakPolarHBondContact O-CB 3.43Å; A274-A277 PolarHBondContact O-N 2.87Å; A274-I278 PolarHBondContact O-N 3.02Å; A274-I278 VanDerWaalsContact O-N 3.1Å
275P86.7Confident88.5Confident86 Ų8627.7 Ų27.756%0.55817%0.172SC*.Hα-helixtrans-53.9-34.6-179.2-3036.2000114.1K279 V317P275-K279 VanDerWaalsContact O-CB 3.25Å; P275-K279 WeakPolarHBondContact O-CB 3.28Å; P275-K279 PolarHBondContact O-N 3.29Å; P275-V317 HydrophobicContact CB-CG2 3.79Å
276T88.9Confident88.6Confident100 Ų10027.7 Ų27.761%0.61317%0.172SC*.Hα-helixtrans-67.6-34.6177.151.50000113.2Y250 A274 A280Y250-T276 PolarHBondContact OH-O 3.3Å; A274-T276 PolarHBondContact O-N 3.26Å; A274-T276 VanDerWaalsContact O-N 3.08Å; T276-A280 WeakPolarHBondContact O-CB 3.47Å; T276-A280 PolarHBondContact O-N 2.84Å
277A88.3Confident88.7Confident0 Ų029.8 Ų29.80%018%0.18CC..Hα-helixtrans-73.1-45.9176.900000111.1Y250 L268 S272 A274 K279 A280 A281Y250-A277 WeakPolarHBondContact OH-CA 3.41Å; Y250-A277 PolarHBondContact OH-N 3.03Å; L268-A277 HydrophobicContact CD1-CB 4.02Å; L268-A277 HydrophobicContact CD2-CB 4.29Å; L268-A277 HydrophobicContact CG-CB 4.02Å; S272-A277 WeakPolarHBondContact OG-CB 3.33Å; A274-A277 HydrophobicContact CB-CB 4.36Å; A274-A277 WeakPolarHBondContact O-CB 3.43Å; A274-A277 PolarHBondContact O-N 2.87Å; A277-K279 VanDerWaalsContact C-N 3.33Å; A277-K279 PolarHBondContact O-N 3.44Å; A277-A280 PolarHBondContact O-N 3.23Å; A277-A281 PolarHBondContact O-N 3.36Å
278I89.8Confident88.8Confident1 Ų129.9 Ų29.91%0.00518%0.181CC..Hα-helixtrans-61.7-43176-57.5-57.5000110.8V269 S272 A274 A280 A281 A282 H314 V317V269-I278 HydrophobicContact CB-CD1 4.23Å; V269-I278 HydrophobicContact CG1-CD1 3.99Å; V269-I278 HydrophobicContact CG2-CD1 4.07Å; S272-I278 WeakPolarHBondContact O-CD1 3.09Å; A274-I278 PolarHBondContact O-N 3.02Å; A274-I278 VanDerWaalsContact O-N 3.1Å; I278-A280 PolarHBondContact O-N 3.31Å; I278-A281 PolarHBondContact O-N 2.99Å; I278-A282 VanDerWaalsContact O-CB 3.31Å; I278-A282 WeakPolarHBondContact O-CB 3.32Å; I278-A282 PolarHBondContact O-N 3.36Å; I278-H314 HydrophobicContact CG2-CB 4.09Å; I278-V317 HydrophobicContact CG2-CB 4.38Å; I278-V317 HydrophobicContact CG2-CG1 4.33Å
279K91.4Very high88.9Confident91 Ų9130 Ų3040%0.39618%0.181SC..Hα-helixtrans-60-45176.8-168.8169.6-176.7163.20111.9P275 A277 Q283 V317 L321P275-K279 VanDerWaalsContact O-CB 3.25Å; P275-K279 WeakPolarHBondContact O-CB 3.28Å; P275-K279 PolarHBondContact O-N 3.29Å; A277-K279 VanDerWaalsContact C-N 3.33Å; A277-K279 PolarHBondContact O-N 3.44Å; K279-Q283 WeakPolarHBondContact O-CB 3.35Å; K279-Q283 PolarHBondContact O-N 3.47Å; K279-V317 HydrophobicContact CB-CG1 3.56Å; K279-V317 HydrophobicContact CG-CG1 4.13Å; K279-L321 HydrophobicContact CG-CD1 4.16Å; K279-L321 HydrophobicContact CG-CD2 4.13Å; K279-L321 HydrophobicContact CG-CG 4.38Å
280A91.1Very high89Confident28 Ų2832.1 Ų32.123%0.23119%0.191CC..Hα-helixtrans-66.6-40.9179.100000112.6Y250 L253 L268 T276 A277 I278 C284Y250-A280 HydrophobicContact CD1-CB 4.3Å; Y250-A280 HydrophobicContact CE1-CB 3.6Å; L253-A280 HydrophobicContact CD1-CB 4.1Å; L268-A280 HydrophobicContact CD2-CB 4.47Å; T276-A280 WeakPolarHBondContact O-CB 3.47Å; T276-A280 PolarHBondContact O-N 2.84Å; A277-A280 PolarHBondContact O-N 3.23Å; I278-A280 PolarHBondContact O-N 3.31Å; A280-C284 WeakPolarHBondContact O-CB 3.45Å; A280-C284 PolarHBondContact O-N 3.19Å
281A91.8Very high89.3Confident0 Ų038.1 Ų38.10%022%0.216CC..Hα-helixtrans-64.7-46.6175.600000111.8A265 L268 V269 A277 I278 Q283 C284 Y285A265-A281 HydrophobicContact CB-CB 4.16Å; L268-A281 HydrophobicContact CD2-CB 4.37Å; V269-A281 HydrophobicContact CG2-CB 3.55Å; A277-A281 PolarHBondContact O-N 3.36Å; I278-A281 PolarHBondContact O-N 2.99Å; A281-Q283 PolarHBondContact O-N 3.26Å; A281-C284 WeakPolarHBondContact O-CB 3.4Å; A281-C284 PolarHBondContact O-N 3.48Å; A281-C284 VanDerWaalsContact O-N 3.16Å; A281-Y285 WeakPolarHBondContact O-CD2 3.44Å; A281-Y285 PolarHBondContact O-N 3.26Å
282A91.9Very high89.5Confident0 Ų039.7 Ų39.70%022%0.223CC..Hα-helixtrans-61.6-42.6176.700000112I278 C284 Y285 I286 L305 L318 L321I278-A282 VanDerWaalsContact O-CB 3.31Å; I278-A282 WeakPolarHBondContact O-CB 3.32Å; I278-A282 PolarHBondContact O-N 3.36Å; A282-C284 VanDerWaalsContact C-N 3.29Å; A282-C284 PolarHBondContact O-N 3.26Å; A282-Y285 PolarHBondContact O-N 2.97Å; A282-I286 VanDerWaalsContact O-CG1 3.28Å; A282-I286 WeakPolarHBondContact O-CG1 3.46Å; A282-I286 PolarHBondContact O-N 3.41Å; A282-L305 HydrophobicContact CB-CD2 4.12Å; A282-L318 HydrophobicContact CB-CD2 3.69Å; A282-L321 HydrophobicContact CB-CD1 3.53Å
283Q92.7Very high89.7Confident52 Ų5244 Ų4424%0.24325%0.253CS..Hα-helixtrans-60.1-41.2174.2-161.472.10.300111.8K279 A281 I286 D287 L321 D324K279-Q283 WeakPolarHBondContact O-CB 3.35Å; K279-Q283 PolarHBondContact O-N 3.47Å; A281-Q283 PolarHBondContact O-N 3.26Å; Q283-I286 PolarHBondContact O-N 3.2Å; Q283-D287 WeakPolarHBondContact O-CB 3.3Å; Q283-D287 PolarHBondContact O-N 2.7Å; Q283-L321 VanDerWaalsContact OE1-CD2 3.25Å; Q283-D324 PolarHBondContact NE2-OD2 3.48Å; Q283-D324 PolarHBondContact OE1-OD2 2.77Å
284C92.1Very high90Very high11 Ų1143.1 Ų43.17%0.07424%0.242CC..Hα-helixtrans-63-41.8177.2-172.20000111.9L253 A265 A280 A281 A282 L288L253-C284 HydrophobicContact CD2-CB 4.08Å; A265-C284 HydrophobicContact CB-CB 4.36Å; A280-C284 WeakPolarHBondContact O-CB 3.45Å; A280-C284 PolarHBondContact O-N 3.19Å; A281-C284 WeakPolarHBondContact O-CB 3.4Å; A281-C284 PolarHBondContact O-N 3.48Å; A281-C284 VanDerWaalsContact O-N 3.16Å; A282-C284 VanDerWaalsContact C-N 3.29Å; A282-C284 PolarHBondContact O-N 3.26Å; C284-L288 WeakPolarHBondContact O-CB 3.18Å; C284-L288 PolarHBondContact O-N 2.86Å
285Y92.9Very high90Very high10 Ų1044 Ų444%0.03924%0.241CC..Hα-helixtrans-64.1-44.3174.4-69.9-43.6000112.4Y262 A265 G266 A281 A282 D287 L288 I289 V301 L305 L308Y262-Y285 HydrophobicContact CD2-CD1 4.18Å; Y262-Y285 AromaticContact CD2-CE1 3.71Å; Y262-Y285 HydrophobicContact CD2-CE1 3.71Å; Y262-Y285 HydrophobicContact CE2-CE1 4.01Å; Y262-Y285 HydrophobicContact CG-CE1 4.49Å; A265-Y285 HydrophobicContact CB-CD1 4.13Å; A265-Y285 HydrophobicContact CB-CE1 3.59Å; A265-Y285 HydrophobicContact CB-CE2 4.05Å; G266-Y285 WeakPolarHBondContact CA-OH 3.17Å; G266-Y285 PolarHBondContact N-OH 2.77Å; A281-Y285 WeakPolarHBondContact O-CD2 3.44Å; A281-Y285 PolarHBondContact O-N 3.26Å; A282-Y285 PolarHBondContact O-N 2.97Å; Y285-D287 PolarHBondContact O-N 2.77Å; Y285-L288 PolarHBondContact O-N 3.26Å; Y285-I289 WeakPolarHBondContact O-CG1 3.43Å; Y285-I289 PolarHBondContact O-N 3.5Å; Y285-V301 HydrophobicContact CD1-CG1 3.71Å; Y285-V301 HydrophobicContact CG-CG1 4.05Å; Y285-L305 HydrophobicContact CD2-CD2 3.95Å; Y285-L305 HydrophobicContact CD2-CG 4.41Å; Y285-L305 HydrophobicContact CG-CD2 4.34Å; Y285-L305 HydrophobicContact CG-CG 4.49Å; Y285-L308 HydrophobicContact CD2-CD1 4.25Å; Y285-L308 HydrophobicContact CE2-CD1 4.19Å
286I91.9Very high89.9Confident0 Ų045 Ų450%024%0.242CC..Hα-helixtrans-60.1-47.3176.7-66162.8000110.7A282 Q283 L288 I289 I290 L305 L321 D324 I325A282-I286 VanDerWaalsContact O-CG1 3.28Å; A282-I286 WeakPolarHBondContact O-CG1 3.46Å; A282-I286 PolarHBondContact O-N 3.41Å; Q283-I286 PolarHBondContact O-N 3.2Å; I286-L288 VanDerWaalsContact C-N 3.25Å; I286-L288 PolarHBondContact O-N 3.5Å; I286-I289 PolarHBondContact O-N 2.85Å; I286-I290 HydrophobicContact CG2-CD1 3.79Å; I286-I290 WeakPolarHBondContact O-CG1 3.49Å; I286-I290 PolarHBondContact O-N 3.04Å; I286-L305 HydrophobicContact CG1-CD1 3.94Å; I286-L321 HydrophobicContact CD1-CB 4.17Å; I286-L321 HydrophobicContact CD1-CD1 4.31Å; I286-D324 HydrophobicContact CD1-CB 4.1Å; I286-D324 HydrophobicContact CG2-CB 4.29Å; I286-D324 WeakPolarHBondContact CG2-O 3.37Å; I286-I325 HydrophobicContact CD1-CD1 4.49Å; I286-I325 HydrophobicContact CD1-CG1 3.56Å; I286-I325 HydrophobicContact CG1-CG1 3.99Å
287D91.1Very high89.8Confident54 Ų5442.7 Ų42.729%0.28923%0.227SC..Hα-helixtrans-61.6-34.7178.2-83.63.7000112.3Q283 Y285 K291 R327Q283-D287 WeakPolarHBondContact O-CB 3.3Å; Q283-D287 PolarHBondContact O-N 2.7Å; Y285-D287 PolarHBondContact O-N 2.77Å; D287-K291 WeakPolarHBondContact O-CB 3.42Å; D287-K291 VanDerWaalsContact O-CG 3.31Å; D287-K291 WeakPolarHBondContact O-CG 3.26Å; D287-K291 PolarHBondContact O-N 3.02Å; D287-K291 VanDerWaalsContact O-N 3.1Å; D287-R327 IonicContact OD1-NH2 3.53Å
288L90.8Very high89.8Confident9 Ų943.3 Ų43.35%0.04723%0.23CC..Hα-helixtrans-69.5-43.6176.7-166.8135.5000111P258 K261 C284 Y285 I286 I290 K291 E292 V297 V301P258-L288 HydrophobicContact CB-CD1 3.97Å; P258-L288 WeakPolarHBondContact O-CD1 3.35Å; K261-L288 HydrophobicContact CB-CD1 4.13Å; C284-L288 WeakPolarHBondContact O-CB 3.18Å; C284-L288 PolarHBondContact O-N 2.86Å; Y285-L288 PolarHBondContact O-N 3.26Å; I286-L288 VanDerWaalsContact C-N 3.25Å; I286-L288 PolarHBondContact O-N 3.5Å; L288-I290 VanDerWaalsContact C-N 3.28Å; L288-I290 PolarHBondContact O-N 2.82Å; L288-K291 PolarHBondContact O-N 3.38Å; L288-E292 HydrophobicContact CD2-CG 4.02Å; L288-E292 HydrophobicContact CG-CG 4.02Å; L288-E292 WeakPolarHBondContact O-CB 3.35Å; L288-E292 VanDerWaalsContact O-CG 3.29Å; L288-E292 WeakPolarHBondContact O-CG 3.34Å; L288-E292 PolarHBondContact O-N 3.09Å; L288-V297 HydrophobicContact CD2-CG1 4.09Å; L288-V301 HydrophobicContact CD2-CB 4.25Å; L288-V301 HydrophobicContact CD2-CG1 4.14Å; L288-V301 HydrophobicContact CD2-CG2 3.38Å
289I90.4Very high89.6Confident1 Ų144.8 Ų44.81%0.00524%0.238CC..Hα-helixtrans-60.4-38.8175.4-64.8164.1000111.6Y285 I286 K298 V301 L302 L305 V328Y285-I289 WeakPolarHBondContact O-CG1 3.43Å; Y285-I289 PolarHBondContact O-N 3.5Å; I286-I289 PolarHBondContact O-N 2.85Å; I289-K298 HydrophobicContact CG2-CB 4.18Å; I289-K298 HydrophobicContact CG2-CD 4.35Å; I289-K298 HydrophobicContact CG2-CG 4.08Å; I289-K298 WeakPolarHBondContact O-CE 3.27Å; I289-V301 HydrophobicContact CD1-CB 4.27Å; I289-V301 HydrophobicContact CD1-CG1 3.9Å; I289-V301 HydrophobicContact CG1-CB 3.83Å; I289-V301 HydrophobicContact CG1-CG1 3.64Å; I289-L302 HydrophobicContact CD1-CB 4.16Å; I289-L302 HydrophobicContact CD1-CD1 4.31Å; I289-L305 HydrophobicContact CD1-CD1 3.58Å; I289-V328 HydrophobicContact CB-CG2 4.21Å; I289-V328 HydrophobicContact CG2-CB 4.21Å; I289-V328 HydrophobicContact CG2-CG1 3.47Å; I289-V328 VanDerWaalsContact CG2-CG1 3.47Å; I289-V328 HydrophobicContact CG2-CG2 3.68Å
290I89.7Confident89.4Confident57 Ų5744.9 Ų44.929%0.29224%0.242SC..Hα-helixtrans-72-39.6-178.9-65.9166.7000111.6I286 L288 R327 V328I286-I290 HydrophobicContact CG2-CD1 3.79Å; I286-I290 WeakPolarHBondContact O-CG1 3.49Å; I286-I290 PolarHBondContact O-N 3.04Å; L288-I290 VanDerWaalsContact C-N 3.28Å; L288-I290 PolarHBondContact O-N 2.82Å; I290-R327 HydrophobicContact CD1-CB 3.78Å; I290-V328 HydrophobicContact CG1-CG2 4.16Å
291K89.5Confident89.3Confident142 Ų14243.6 Ų43.662%0.61723%0.231SC*.Hα-helixtrans-85.6-32.7-172.8-72.4172.8-178.5165.50113.9D287 L288D287-K291 WeakPolarHBondContact O-CB 3.42Å; D287-K291 VanDerWaalsContact O-CG 3.31Å; D287-K291 WeakPolarHBondContact O-CG 3.26Å; D287-K291 PolarHBondContact O-N 3.02Å; D287-K291 VanDerWaalsContact O-N 3.1Å; L288-K291 PolarHBondContact O-N 3.38Å
292E88.4Confident89.2Confident48 Ų4843.6 Ų43.622%0.22423%0.231CC..  trans-68.6146180-72.2-56.7138.700111.6P258 L288 V297 K298P258-E292 WeakPolarHBondContact CB-OE1 3.41Å; P258-E292 WeakPolarHBondContact CG-OE1 3.41Å; L288-E292 HydrophobicContact CD2-CG 4.02Å; L288-E292 HydrophobicContact CG-CG 4.02Å; L288-E292 WeakPolarHBondContact O-CB 3.35Å; L288-E292 VanDerWaalsContact O-CG 3.29Å; L288-E292 WeakPolarHBondContact O-CG 3.34Å; L288-E292 PolarHBondContact O-N 3.09Å; E292-V297 HydrophobicContact CG-CG1 4.22Å; E292-K298 WeakPolarHBondContact O-CE 3.32Å; E292-K298 PolarHBondContact O-NZ 2.69Å; E292-K298 VanDerWaalsContact O-NZ 3.09Å
293S86.5Confident89Confident108 Ų10846.3 Ų46.376%0.75525%0.246SC*.  trans-92.5-28.5177.354.90000112.9N295S293-N295 PolarHBondContact O-N 3.12Å
294D87.8Confident88.7Confident72 Ų7246.8 Ų46.839%0.38525%0.245SC..  trans-76.5120.2-177.2-171.3-12.5000111.7N296 V297 K298D294-N296 VanDerWaalsContact C-N 3.28Å; D294-N296 PolarHBondContact O-N 2.9Å; D294-N296 WeakPolarHBondContact OD1-CB 3.18Å; D294-N296 PolarHBondContact OD1-N 3.37Å; D294-N296 PolarHBondContact OD1-ND2 3.35Å; D294-V297 HydrophobicContact CB-CB 4.29Å; D294-V297 HydrophobicContact CB-CG2 3.95Å; D294-V297 PolarHBondContact O-N 3.46Å; D294-K298 WeakPolarHBondContact O-CG 3.44Å; D294-K298 PolarHBondContact O-N 2.82Å
295N85.9Confident88.5Confident54 Ų5446.4 Ų46.429%0.28924%0.242SC..Hα-helixtrans-63.8-32178.9-68-18.6000112.4S293 K298 L299 D333S293-N295 PolarHBondContact O-N 3.12Å; N295-K298 WeakPolarHBondContact O-CB 3.49Å; N295-K298 PolarHBondContact O-N 3.43Å; N295-L299 WeakPolarHBondContact O-CG 3.33Å; N295-L299 PolarHBondContact O-N 2.99Å; N295-D333 PolarHBondContact ND2-OD1 3.31Å
296N86.1Confident88.2Confident108 Ų10848 Ų4858%0.57825%0.251SS*.Hα-helixtrans-65.6-43.2178.7-64.8-47.4000111D294 K298 L299 I300D294-N296 VanDerWaalsContact C-N 3.28Å; D294-N296 PolarHBondContact O-N 2.9Å; D294-N296 WeakPolarHBondContact OD1-CB 3.18Å; D294-N296 PolarHBondContact OD1-N 3.37Å; D294-N296 PolarHBondContact OD1-ND2 3.35Å; N296-K298 VanDerWaalsContact C-N 3.32Å; N296-K298 PolarHBondContact O-N 2.9Å; N296-L299 PolarHBondContact O-N 3.38Å; N296-I300 VanDerWaalsContact O-CG1 3.31Å; N296-I300 WeakPolarHBondContact O-CG1 3.46Å; N296-I300 PolarHBondContact O-N 3.04Å
297V85.8Confident87.9Confident50 Ų5052.4 Ų52.430%0.30327%0.271SS..Hα-helixtrans-62.3-42.2175.71790000110.2L288 E292 D294 L299 I300 V301L288-V297 HydrophobicContact CD2-CG1 4.09Å; E292-V297 HydrophobicContact CG-CG1 4.22Å; D294-V297 HydrophobicContact CB-CB 4.29Å; D294-V297 HydrophobicContact CB-CG2 3.95Å; D294-V297 PolarHBondContact O-N 3.46Å; V297-L299 PolarHBondContact O-N 2.85Å; V297-I300 PolarHBondContact O-N 3.3Å; V297-V301 HydrophobicContact CG1-CG2 4.2Å; V297-V301 WeakPolarHBondContact O-CG2 3.46Å; V297-V301 PolarHBondContact O-N 2.9Å
298K88.9Confident87.6Confident14 Ų1450.6 Ų50.66%0.06126%0.262CS..Hα-helixtrans-58.9-44.8175.5-67.3-178.7-173.7-169.10112.4I289 E292 D294 N295 N296 V301 L302 T331 V336I289-K298 HydrophobicContact CG2-CB 4.18Å; I289-K298 HydrophobicContact CG2-CD 4.35Å; I289-K298 HydrophobicContact CG2-CG 4.08Å; I289-K298 WeakPolarHBondContact O-CE 3.27Å; E292-K298 WeakPolarHBondContact O-CE 3.32Å; E292-K298 PolarHBondContact O-NZ 2.69Å; E292-K298 VanDerWaalsContact O-NZ 3.09Å; D294-K298 WeakPolarHBondContact O-CG 3.44Å; D294-K298 PolarHBondContact O-N 2.82Å; N295-K298 WeakPolarHBondContact O-CB 3.49Å; N295-K298 PolarHBondContact O-N 3.43Å; N296-K298 VanDerWaalsContact C-N 3.32Å; N296-K298 PolarHBondContact O-N 2.9Å; K298-V301 PolarHBondContact O-N 3.46Å; K298-L302 WeakPolarHBondContact O-CB 3.42Å; K298-L302 PolarHBondContact O-N 3.06Å; K298-T331 HydrophobicContact CD-CG2 3.88Å; K298-T331 PolarHBondContact NZ-OG1 3.39Å; K298-V336 HydrophobicContact CB-CG2 4.1Å
299L86.2Confident87.2Confident31 Ų3151.1 Ų51.116%0.16226%0.264CS..Hα-helixtrans-63.9-45.1179.3-70.6172000111.5N295 N296 V297 V301 L302 D303 E335 V336 K339N295-L299 WeakPolarHBondContact O-CG 3.33Å; N295-L299 PolarHBondContact O-N 2.99Å; N296-L299 PolarHBondContact O-N 3.38Å; V297-L299 PolarHBondContact O-N 2.85Å; L299-V301 VanDerWaalsContact C-N 3.33Å; L299-V301 PolarHBondContact O-N 3.35Å; L299-L302 PolarHBondContact O-N 2.85Å; L299-D303 WeakPolarHBondContact O-CB 3.26Å; L299-D303 VanDerWaalsContact O-CG 3.29Å; L299-D303 PolarHBondContact O-N 3.16Å; L299-E335 HydrophobicContact CD2-CG 4.03Å; L299-V336 HydrophobicContact CD2-CG2 3.76Å; L299-V336 HydrophobicContact CG-CG2 4.01Å; L299-K339 HydrophobicContact CD2-CD 4.05Å
300I86.1Confident86.7Confident94 Ų9456.5 Ų56.548%0.48229%0.293SS..Hα-helixtrans-59-45.8177.3-67.3164.6000111N296 V297 D303 R304N296-I300 VanDerWaalsContact O-CG1 3.31Å; N296-I300 WeakPolarHBondContact O-CG1 3.46Å; N296-I300 PolarHBondContact O-N 3.04Å; V297-I300 PolarHBondContact O-N 3.3Å; I300-D303 PolarHBondContact O-N 2.67Å; I300-R304 PolarHBondContact O-N 3.31Å; I300-R304 VanDerWaalsContact O-N 3.14Å
301V90Very high86.2Confident1 Ų159 Ų591%0.00630%0.303CS..Hα-helixtrans-71.9-35.3-177.4-178.50000111Y262 Y285 L288 I289 V297 K298 L299 R304 L305Y262-V301 HydrophobicContact CD2-CG2 3.83Å; Y262-V301 HydrophobicContact CE2-CG2 3.84Å; Y285-V301 HydrophobicContact CD1-CG1 3.71Å; Y285-V301 HydrophobicContact CG-CG1 4.05Å; L288-V301 HydrophobicContact CD2-CB 4.25Å; L288-V301 HydrophobicContact CD2-CG1 4.14Å; L288-V301 HydrophobicContact CD2-CG2 3.38Å; I289-V301 HydrophobicContact CD1-CB 4.27Å; I289-V301 HydrophobicContact CD1-CG1 3.9Å; I289-V301 HydrophobicContact CG1-CB 3.83Å; I289-V301 HydrophobicContact CG1-CG1 3.64Å; V297-V301 HydrophobicContact CG1-CG2 4.2Å; V297-V301 WeakPolarHBondContact O-CG2 3.46Å; V297-V301 PolarHBondContact O-N 2.9Å; K298-V301 PolarHBondContact O-N 3.46Å; L299-V301 VanDerWaalsContact C-N 3.33Å; L299-V301 PolarHBondContact O-N 3.35Å; V301-R304 PolarHBondContact O-N 3.05Å; V301-L305 PolarHBondContact O-N 3Å
302L89.6Confident85.5Confident0 Ų056.6 Ų56.60%030%0.301CS..Hα-helixtrans-67.1-38.9174.7-174.660.3000111.7I289 K298 L299 R304 L305 I306 K339 L343I289-L302 HydrophobicContact CD1-CB 4.16Å; I289-L302 HydrophobicContact CD1-CD1 4.31Å; K298-L302 WeakPolarHBondContact O-CB 3.42Å; K298-L302 PolarHBondContact O-N 3.06Å; L299-L302 PolarHBondContact O-N 2.85Å; L302-R304 VanDerWaalsContact C-N 3.31Å; L302-R304 PolarHBondContact O-N 2.63Å; L302-L305 WeakPolarHBondContact O-CB 3.06Å; L302-L305 PolarHBondContact O-N 3.22Å; L302-L305 VanDerWaalsContact O-N 3.14Å; L302-I306 HydrophobicContact CG-CD1 4.3Å; L302-I306 WeakPolarHBondContact O-CG1 3.13Å; L302-I306 PolarHBondContact O-N 3.28Å; L302-K339 HydrophobicContact CD2-CB 3.36Å; L302-K339 HydrophobicContact CD2-CD 4.33Å; L302-K339 HydrophobicContact CD2-CG 4.48Å; L302-K339 HydrophobicContact CG-CB 4.19Å; L302-L343 HydrophobicContact CD1-CD2 4.01Å
303D86.9Confident85Confident57 Ų5758.6 Ų58.631%0.30532%0.317SS..Hα-helixtrans-62.3-39.3173.9-72.4-26.5000111.1L299 I300 L305 I306 E307 K339L299-D303 WeakPolarHBondContact O-CB 3.26Å; L299-D303 VanDerWaalsContact O-CG 3.29Å; L299-D303 PolarHBondContact O-N 3.16Å; I300-D303 PolarHBondContact O-N 2.67Å; D303-L305 PolarHBondContact O-N 3.32Å; D303-I306 PolarHBondContact O-N 3.3Å; D303-E307 WeakPolarHBondContact O-CG 3.11Å; D303-E307 PolarHBondContact O-N 3.46Å; D303-K339 IonicContact OD1-NZ 2.94Å; D303-K339 PolarHBondContact OD1-NZ 2.84Å; D303-K339 IonicContact OD2-NZ 3.76Å; D303-K339 PolarHBondContact OD2-NZ 2.97Å
304R85.5Confident84.8Confident62 Ų6254.2 Ų54.223%0.23429%0.285CS..Hα-helixtrans-61.9-40.8170.9-68.9-54.5-167.8178.6-1.3113.2Y262 I300 V301 L302 I306 E307 L308Y262-R304 HydrophobicContact CE2-CG 4.26Å; Y262-R304 WeakPolarHBondContact OH-CG 3.42Å; I300-R304 PolarHBondContact O-N 3.31Å; I300-R304 VanDerWaalsContact O-N 3.14Å; V301-R304 PolarHBondContact O-N 3.05Å; L302-R304 VanDerWaalsContact C-N 3.31Å; L302-R304 PolarHBondContact O-N 2.63Å; R304-I306 VanDerWaalsContact C-N 3.31Å; R304-I306 PolarHBondContact O-N 3Å; R304-E307 WeakPolarHBondContact CD-OE2 3.02Å; R304-E307 IonicContact CZ-OE2 3.47Å; R304-E307 IonicContact NE-OE2 3.43Å; R304-E307 IonicContact NH1-OE1 3.64Å; R304-E307 IonicContact NH1-OE2 2.7Å; R304-E307 PolarHBondContact NH1-OE2 2.89Å; R304-E307 PolarHBondContact O-N 3.15Å; R304-L308 WeakPolarHBondContact O-CG 3.49Å; R304-L308 PolarHBondContact O-N 3.1Å
305L88.5Confident84.7Confident2 Ų253.2 Ų53.21%0.0128%0.278CS..Hα-helixtrans-63.4-37.4173.9-79175.4000112.2A282 Y285 I286 I289 V301 L302 D303 L308 K309 L318 L343A282-L305 HydrophobicContact CB-CD2 4.12Å; Y285-L305 HydrophobicContact CD2-CD2 3.95Å; Y285-L305 HydrophobicContact CD2-CG 4.41Å; Y285-L305 HydrophobicContact CG-CD2 4.34Å; Y285-L305 HydrophobicContact CG-CG 4.49Å; I286-L305 HydrophobicContact CG1-CD1 3.94Å; I289-L305 HydrophobicContact CD1-CD1 3.58Å; V301-L305 PolarHBondContact O-N 3Å; L302-L305 WeakPolarHBondContact O-CB 3.06Å; L302-L305 PolarHBondContact O-N 3.22Å; L302-L305 VanDerWaalsContact O-N 3.14Å; D303-L305 PolarHBondContact O-N 3.32Å; L305-L308 HydrophobicContact CD2-CD1 4.21Å; L305-L308 WeakPolarHBondContact O-CB 3.45Å; L305-L308 PolarHBondContact O-N 3.44Å; L305-K309 PolarHBondContact O-N 2.92Å; L305-L318 HydrophobicContact CD2-CD2 4.4Å; L305-L343 HydrophobicContact CB-CD2 4.17Å
306I87.8Confident84.7Confident45 Ų4559.8 Ų59.823%0.23130%0.298CS..Hα-helixtrans-66.5-42.6175.7-67.5165.1000110.3L302 D303 R304 L308 K309 K339 L343L302-I306 HydrophobicContact CG-CD1 4.3Å; L302-I306 WeakPolarHBondContact O-CG1 3.13Å; L302-I306 PolarHBondContact O-N 3.28Å; D303-I306 PolarHBondContact O-N 3.3Å; R304-I306 VanDerWaalsContact C-N 3.31Å; R304-I306 PolarHBondContact O-N 3Å; I306-L308 VanDerWaalsContact C-N 3.28Å; I306-L308 PolarHBondContact O-N 2.8Å; I306-K309 WeakPolarHBondContact O-CB 3.2Å; I306-K309 PolarHBondContact O-N 3.42Å; I306-K339 HydrophobicContact CD1-CB 4.4Å; I306-L343 HydrophobicContact CG1-CB 4.3Å; I306-L343 HydrophobicContact CG1-CD1 4.14Å; I306-L343 HydrophobicContact CG1-CD2 4.18Å; I306-L343 HydrophobicContact CG1-CG 4.44Å
307E85Confident84.7Confident91 Ų9155.2 Ų55.243%0.42527%0.274SS..Hα-helixtrans-60.1-36.7174.6-72.2172.8-174.800112.2D303 R304 K309 D310D303-E307 WeakPolarHBondContact O-CG 3.11Å; D303-E307 PolarHBondContact O-N 3.46Å; R304-E307 WeakPolarHBondContact CD-OE2 3.02Å; R304-E307 IonicContact CZ-OE2 3.47Å; R304-E307 IonicContact NE-OE2 3.43Å; R304-E307 IonicContact NH1-OE1 3.64Å; R304-E307 IonicContact NH1-OE2 2.7Å; R304-E307 PolarHBondContact NH1-OE2 2.89Å; R304-E307 PolarHBondContact O-N 3.15Å; E307-K309 PolarHBondContact O-N 3.37Å; E307-D310 PolarHBondContact O-N 2.96Å
308L84.3Confident84.8Confident16 Ų1652.9 Ų52.98%0.08426%0.26CS..Hα-helixtrans-60.8-30175.6-68.4-179000112.6V269 Y285 R304 L305 I306 D310 H311 H314 L318V269-L308 HydrophobicContact CB-CD2 4.38Å; V269-L308 HydrophobicContact CG1-CD2 3.49Å; V269-L308 VanDerWaalsContact CG1-CD2 3.49Å; V269-L308 HydrophobicContact CG2-CD1 4.49Å; V269-L308 HydrophobicContact CG2-CD2 4.04Å; Y285-L308 HydrophobicContact CD2-CD1 4.25Å; Y285-L308 HydrophobicContact CE2-CD1 4.19Å; R304-L308 WeakPolarHBondContact O-CG 3.49Å; R304-L308 PolarHBondContact O-N 3.1Å; L305-L308 HydrophobicContact CD2-CD1 4.21Å; L305-L308 WeakPolarHBondContact O-CB 3.45Å; L305-L308 PolarHBondContact O-N 3.44Å; I306-L308 VanDerWaalsContact C-N 3.28Å; I306-L308 PolarHBondContact O-N 2.8Å; L308-D310 PolarHBondContact O-N 3.14Å; L308-H311 PolarHBondContact O-N 3.03Å; L308-H314 WeakPolarHBondContact O-CB 3.02Å; L308-L318 HydrophobicContact CB-CD1 3.99Å
309K83Confident84.8Confident20 Ų2054.6 Ų54.69%0.08727%0.268CS..Hα-helixtrans-63.2-30.4178.7-168.7-164.780.1-1620112.5L305 I306 E307 H311 E315 L318 L343 D346 L347L305-K309 PolarHBondContact O-N 2.92Å; I306-K309 WeakPolarHBondContact O-CB 3.2Å; I306-K309 PolarHBondContact O-N 3.42Å; E307-K309 PolarHBondContact O-N 3.37Å; K309-H311 PolarHBondContact O-N 3.5Å; K309-E315 HydrophobicContact CG-CG 4.32Å; K309-L318 HydrophobicContact CB-CD1 4.33Å; K309-L343 HydrophobicContact CB-CD1 4.49Å; K309-L343 HydrophobicContact CD-CD1 4.12Å; K309-D346 HydrophobicContact CD-CB 3.8Å; K309-D346 IonicContact NZ-OD2 3.85Å; K309-D346 PolarHBondContact NZ-OD2 3.39Å; K309-L347 HydrophobicContact CG-CD2 4.06Å
310D79.3Confident84.9Confident115 Ų11558.2 Ų58.262%0.61529%0.288SS*.THydrogen-bonded Turntrans-64.9-16.6-174.4-70.4-16000112.7E307 L308E307-D310 PolarHBondContact O-N 2.96Å; L308-D310 PolarHBondContact O-N 3.14Å
311H78.5Confident85Confident110 Ų11053.9 Ų53.951%0.50927%0.266SS..SBendtrans-93.2122.4171.6-70-60.5000112L308 K309 T313 H314 E315L308-H311 PolarHBondContact O-N 3.03Å; K309-H311 PolarHBondContact O-N 3.5Å; H311-T313 VanDerWaalsContact C-N 3.27Å; H311-T313 PolarHBondContact O-N 2.93Å; H311-T313 VanDerWaalsContact O-N 3.15Å; H311-H314 HydrophobicContact CB-CB 4.15Å; H311-H314 AromaticContact CD2-CE1 3.99Å; H311-H314 AromaticContact CD2-ND1 3.88Å; H311-H314 WeakPolarHBondContact O-CB 3.42Å; H311-H314 PolarHBondContact O-N 2.91Å; H311-E315 PolarHBondContact O-N 3.06Å
312P74.9Confident85.1Confident90 Ų9053.9 Ų53.958%0.58427%0.266SS*.Hα-helixtrans-65.4-25.6-172.224.1-34.1000114.1
313T77.8Confident85Confident90 Ų9056.5 Ų56.555%0.55228%0.279SS*.Hα-helixtrans-73-36.2174.448.30000112.1H311H311-T313 VanDerWaalsContact C-N 3.27Å; H311-T313 PolarHBondContact O-N 2.93Å; H311-T313 VanDerWaalsContact O-N 3.15Å
314H83.6Confident85.1Confident16 Ų1655.7 Ų55.77%0.07428%0.275CS..Hα-helixtrans-77-36.2179.1-60174.3000110.7I278 L308 H311 R316 V317 L318I278-H314 HydrophobicContact CG2-CB 4.09Å; L308-H314 WeakPolarHBondContact O-CB 3.02Å; H311-H314 HydrophobicContact CB-CB 4.15Å; H311-H314 AromaticContact CD2-CE1 3.99Å; H311-H314 AromaticContact CD2-ND1 3.88Å; H311-H314 WeakPolarHBondContact O-CB 3.42Å; H311-H314 PolarHBondContact O-N 2.91Å; H314-R316 VanDerWaalsContact C-N 3.31Å; H314-R316 PolarHBondContact O-N 3.18Å; H314-V317 WeakPolarHBondContact O-CB 3.42Å; H314-V317 PolarHBondContact O-N 3.24Å; H314-L318 WeakPolarHBondContact O-CG 3.47Å; H314-L318 PolarHBondContact O-N 3.15Å
315E85.1Confident85.4Confident52 Ų5252.8 Ų52.824%0.24326%0.264CS..Hα-helixtrans-52.2-48.3175.6-169.6-171.9161.200111.6K309 H311 V317 L318 Q319 L347K309-E315 HydrophobicContact CG-CG 4.32Å; H311-E315 PolarHBondContact O-N 3.06Å; E315-V317 PolarHBondContact O-N 3.06Å; E315-L318 PolarHBondContact O-N 3.11Å; E315-L318 VanDerWaalsContact O-N 3.09Å; E315-Q319 WeakPolarHBondContact O-CG 3.36Å; E315-Q319 PolarHBondContact O-N 3.31Å; E315-L347 HydrophobicContact CG-CD2 3.96Å
316R85.4Confident85.5Confident191 Ų19153 Ų5372%0.72127%0.265SS*.Hα-helixtrans-58.2-34.9177.6-68.3-177.9-177.9-179.81.3113.3H314H314-R316 VanDerWaalsContact C-N 3.31Å; H314-R316 PolarHBondContact O-N 3.18Å
317V87.2Confident85.6Confident12 Ų1255.8 Ų55.87%0.07327%0.272CS..Hα-helixtrans-75.4-38.9178-179.70000110.7P275 I278 K279 H314 E315 Q319 D320P275-V317 HydrophobicContact CB-CG2 3.79Å; I278-V317 HydrophobicContact CG2-CB 4.38Å; I278-V317 HydrophobicContact CG2-CG1 4.33Å; K279-V317 HydrophobicContact CB-CG1 3.56Å; K279-V317 HydrophobicContact CG-CG1 4.13Å; H314-V317 WeakPolarHBondContact O-CB 3.42Å; H314-V317 PolarHBondContact O-N 3.24Å; E315-V317 PolarHBondContact O-N 3.06Å; V317-Q319 VanDerWaalsContact C-N 3.3Å; V317-Q319 PolarHBondContact O-N 3.49Å; V317-D320 WeakPolarHBondContact O-CB 3.27Å; V317-D320 PolarHBondContact O-N 2.88Å
318L87.1Confident85.8Confident1 Ų151.5 Ų51.51%0.00525%0.252CS..Hα-helixtrans-66.6-31.3176.1-69.1171.5000112.1A282 L305 L308 K309 H314 E315 D320 L321 V322 L347A282-L318 HydrophobicContact CB-CD2 3.69Å; L305-L318 HydrophobicContact CD2-CD2 4.4Å; L308-L318 HydrophobicContact CB-CD1 3.99Å; K309-L318 HydrophobicContact CB-CD1 4.33Å; H314-L318 WeakPolarHBondContact O-CG 3.47Å; H314-L318 PolarHBondContact O-N 3.15Å; E315-L318 PolarHBondContact O-N 3.11Å; E315-L318 VanDerWaalsContact O-N 3.09Å; L318-D320 PolarHBondContact O-N 3.33Å; L318-L321 CarbonylContact O-C 3.58Å; L318-L321 WeakPolarHBondContact O-CA 3.22Å; L318-L321 PolarHBondContact O-N 3.39Å; L318-V322 PolarHBondContact O-N 3.38Å; L318-L347 HydrophobicContact CB-CD1 3.86Å; L318-L347 HydrophobicContact CB-CD2 3.71Å; L318-L347 HydrophobicContact CB-CG 4.46Å
319Q88.5Confident85.9Confident50 Ų5051 Ų5123%0.23425%0.249CC..Hα-helixtrans-57.9-33.7173.7-73.1177.8-1.100112.7E315 V317 L321 V322 L347 N352E315-Q319 WeakPolarHBondContact O-CG 3.36Å; E315-Q319 PolarHBondContact O-N 3.31Å; V317-Q319 VanDerWaalsContact C-N 3.3Å; V317-Q319 PolarHBondContact O-N 3.49Å; Q319-L321 VanDerWaalsContact C-N 3.28Å; Q319-V322 WeakPolarHBondContact O-CG2 3.43Å; Q319-L347 HydrophobicContact CG-CB 4.47Å; Q319-L347 HydrophobicContact CG-CD2 4.32Å; Q319-L347 WeakPolarHBondContact CG-O 3.4Å; Q319-N352 PolarHBondContact O-ND2 3.06Å; Q319-N352 VanDerWaalsContact O-ND2 3.15Å
320D88.1Confident86Confident108 Ų10854.2 Ų54.258%0.57828%0.275SS*.THydrogen-bonded Turntrans-74.2-18.9175.3-67.9-16.7000112.7V317 L318V317-D320 WeakPolarHBondContact O-CB 3.27Å; V317-D320 PolarHBondContact O-N 2.88Å; L318-D320 PolarHBondContact O-N 3.33Å
321L90Very high86.3Confident3 Ų349 Ų492%0.01625%0.247CC..THydrogen-bonded Turntrans-101.34.5-177.6-63.5-177.3000113.4K279 A282 Q283 I286 L318 Q319 M323 D324 I325K279-L321 HydrophobicContact CG-CD1 4.16Å; K279-L321 HydrophobicContact CG-CD2 4.13Å; K279-L321 HydrophobicContact CG-CG 4.38Å; A282-L321 HydrophobicContact CB-CD1 3.53Å; Q283-L321 VanDerWaalsContact OE1-CD2 3.25Å; I286-L321 HydrophobicContact CD1-CB 4.17Å; I286-L321 HydrophobicContact CD1-CD1 4.31Å; L318-L321 CarbonylContact O-C 3.58Å; L318-L321 WeakPolarHBondContact O-CA 3.22Å; L318-L321 PolarHBondContact O-N 3.39Å; Q319-L321 VanDerWaalsContact C-N 3.28Å; L321-M323 PolarHBondContact O-N 3.22Å; L321-D324 WeakPolarHBondContact O-CA 3.47Å; L321-D324 WeakPolarHBondContact O-CB 3.44Å; L321-D324 PolarHBondContact O-N 3.08Å; L321-I325 WeakPolarHBondContact O-CG1 3.23Å; L321-I325 PolarHBondContact O-N 2.85Å
322V90.2Very high86.4Confident1 Ų148.5 Ų48.51%0.00625%0.254CS..Hα-helixtrans-54.8-40.2-176.9170.50000112.4L318 Q319 D324 I325 L326 L347 L356L318-V322 PolarHBondContact O-N 3.38Å; Q319-V322 WeakPolarHBondContact O-CG2 3.43Å; V322-D324 VanDerWaalsContact C-N 3.3Å; V322-D324 PolarHBondContact O-N 2.69Å; V322-I325 WeakPolarHBondContact O-CB 3.4Å; V322-I325 PolarHBondContact O-N 3.21Å; V322-L326 HydrophobicContact CG1-CD1 4.39Å; V322-L326 WeakPolarHBondContact O-CG 3.42Å; V322-L326 PolarHBondContact O-N 3.16Å; V322-L347 HydrophobicContact CG2-CB 3.49Å; V322-L347 VanDerWaalsContact CG2-CB 3.49Å; V322-L347 HydrophobicContact CG2-CD1 4.16Å; V322-L347 HydrophobicContact CG2-CG 4.48Å; V322-L356 HydrophobicContact CG1-CD1 3.75Å
323M88.2Confident87Confident54 Ų5446.3 Ų46.327%0.26624%0.237SC..Hα-helixtrans-66-35.2178.4-60.2-53.7-70.700112.3L321 L326 E355 V359L321-M323 PolarHBondContact O-N 3.22Å; M323-L326 HydrophobicContact SD-CD1 4.16Å; M323-E355 HydrophobicContact CE-CB 3.65Å; M323-E355 WeakPolarHBondContact CG-OE2 3.47Å; M323-E355 HydrophobicContact SD-CB 3.69Å; M323-V359 HydrophobicContact CE-CG2 3.47Å; M323-V359 VanDerWaalsContact CE-CG2 3.47Å
324D89.8Confident87.3Confident41 Ų4144.2 Ų44.222%0.21922%0.222CC..Hα-helixtrans-71.7-37.3175.6-75.9-34.4000111.5Q283 I286 L321 V322 R327Q283-D324 PolarHBondContact NE2-OD2 3.48Å; Q283-D324 PolarHBondContact OE1-OD2 2.77Å; I286-D324 HydrophobicContact CD1-CB 4.1Å; I286-D324 HydrophobicContact CG2-CB 4.29Å; I286-D324 WeakPolarHBondContact CG2-O 3.37Å; L321-D324 WeakPolarHBondContact O-CA 3.47Å; L321-D324 WeakPolarHBondContact O-CB 3.44Å; L321-D324 PolarHBondContact O-N 3.08Å; V322-D324 VanDerWaalsContact C-N 3.3Å; V322-D324 PolarHBondContact O-N 2.69Å; D324-R327 VanDerWaalsContact O-CB 3.31Å; D324-R327 WeakPolarHBondContact O-CB 3.48Å; D324-R327 PolarHBondContact O-N 2.78Å; D324-R327 PolarHBondContact O-NE 2.69Å; D324-R327 VanDerWaalsContact O-NE 3.17Å; D324-R327 IonicContact OD1-CZ 3.47Å; D324-R327 IonicContact OD1-NE 2.73Å; D324-R327 PolarHBondContact OD1-NE 3.26Å; D324-R327 IonicContact OD1-NH1 2.67Å; D324-R327 PolarHBondContact OD1-NH1 3.06Å; D324-R327 IonicContact OD1-NH2 3.42Å; D324-R327 PolarHBondContact OD1-NH2 3.48Å
325I91.6Very high87.4Confident1 Ų149 Ų491%0.00525%0.245CC..Hα-helixtrans-62.1-42.8173.9-65.4169.1000110.7I286 L321 V322 R327 V328 T340 L343 L347I286-I325 HydrophobicContact CD1-CD1 4.49Å; I286-I325 HydrophobicContact CD1-CG1 3.56Å; I286-I325 HydrophobicContact CG1-CG1 3.99Å; L321-I325 WeakPolarHBondContact O-CG1 3.23Å; L321-I325 PolarHBondContact O-N 2.85Å; V322-I325 WeakPolarHBondContact O-CB 3.4Å; V322-I325 PolarHBondContact O-N 3.21Å; I325-R327 PolarHBondContact O-N 2.98Å; I325-R327 VanDerWaalsContact O-N 3.1Å; I325-V328 WeakPolarHBondContact O-CB 3.25Å; I325-V328 VanDerWaalsContact O-CG2 3.28Å; I325-V328 WeakPolarHBondContact O-CG2 3.23Å; I325-V328 PolarHBondContact O-N 2.9Å; I325-T340 HydrophobicContact CG2-CG2 3.95Å; I325-L343 HydrophobicContact CD1-CD2 4.28Å; I325-L343 HydrophobicContact CG2-CD2 4.25Å; I325-L347 HydrophobicContact CD1-CD1 3.65Å
326L89.6Confident87.6Confident7 Ų746.5 Ų46.54%0.03723%0.233CC..Hα-helixtrans-62.2-19.4179.1-72.5173.7000113.5V322 M323 V328 L329 A344 L356 V359V322-L326 HydrophobicContact CG1-CD1 4.39Å; V322-L326 WeakPolarHBondContact O-CG 3.42Å; V322-L326 PolarHBondContact O-N 3.16Å; M323-L326 HydrophobicContact SD-CD1 4.16Å; L326-V328 PolarHBondContact O-N 3.34Å; L326-L329 HydrophobicContact CD2-CD1 3.83Å; L326-L329 WeakPolarHBondContact O-CB 3.04Å; L326-L329 VanDerWaalsContact O-CG 3.29Å; L326-L329 WeakPolarHBondContact O-CG 3.19Å; L326-L329 PolarHBondContact O-N 3.27Å; L326-A344 HydrophobicContact CD2-CB 3.85Å; L326-L356 HydrophobicContact CD1-CB 4.27Å; L326-L356 HydrophobicContact CD1-CD1 4.15Å; L326-L356 HydrophobicContact CD1-CG 3.96Å; L326-V359 HydrophobicContact CB-CG1 4.31Å; L326-V359 HydrophobicContact CD1-CB 4.23Å; L326-V359 HydrophobicContact CD1-CG1 4.12Å
327R90.2Very high87.9Confident103 Ų10339.2 Ų39.239%0.38921%0.206SC..G310 helixtrans-63.2-24.1173-58.6-179.8-60.4-178.56112.3D287 I290 D324 I325 L329 S330D287-R327 IonicContact OD1-NH2 3.53Å; I290-R327 HydrophobicContact CD1-CB 3.78Å; D324-R327 VanDerWaalsContact O-CB 3.31Å; D324-R327 WeakPolarHBondContact O-CB 3.48Å; D324-R327 PolarHBondContact O-N 2.78Å; D324-R327 PolarHBondContact O-NE 2.69Å; D324-R327 VanDerWaalsContact O-NE 3.17Å; D324-R327 IonicContact OD1-CZ 3.47Å; D324-R327 IonicContact OD1-NE 2.73Å; D324-R327 PolarHBondContact OD1-NE 3.26Å; D324-R327 IonicContact OD1-NH1 2.67Å; D324-R327 PolarHBondContact OD1-NH1 3.06Å; D324-R327 IonicContact OD1-NH2 3.42Å; D324-R327 PolarHBondContact OD1-NH2 3.48Å; I325-R327 PolarHBondContact O-N 2.98Å; I325-R327 VanDerWaalsContact O-N 3.1Å; R327-L329 PolarHBondContact O-N 3.41Å; R327-S330 PolarHBondContact O-N 2.99Å; R327-S330 PolarHBondContact O-OG 3.43Å
328V89.7Confident88Confident1 Ų144.5 Ų44.51%0.00623%0.227CC..G310 helixtrans-61.5-24.3177174.60000112.3I289 I290 I325 L326 S330 T331 V336 T340I289-V328 HydrophobicContact CB-CG2 4.21Å; I289-V328 HydrophobicContact CG2-CB 4.21Å; I289-V328 HydrophobicContact CG2-CG1 3.47Å; I289-V328 VanDerWaalsContact CG2-CG1 3.47Å; I289-V328 HydrophobicContact CG2-CG2 3.68Å; I290-V328 HydrophobicContact CG1-CG2 4.16Å; I325-V328 WeakPolarHBondContact O-CB 3.25Å; I325-V328 VanDerWaalsContact O-CG2 3.28Å; I325-V328 WeakPolarHBondContact O-CG2 3.23Å; I325-V328 PolarHBondContact O-N 2.9Å; L326-V328 PolarHBondContact O-N 3.34Å; V328-S330 PolarHBondContact O-N 3.31Å; V328-T331 VanDerWaalsContact O-CB 3.29Å; V328-T331 WeakPolarHBondContact O-CB 3.08Å; V328-T331 PolarHBondContact O-N 3.22Å; V328-T331 PolarHBondContact O-OG1 2.95Å; V328-V336 HydrophobicContact CG1-CG1 3.68Å; V328-T340 HydrophobicContact CB-CG2 3.96Å; V328-T340 HydrophobicContact CG1-CG2 4.24Å; V328-T340 WeakPolarHBondContact CG1-OG1 3.03Å
329L86.6Confident88.1Confident4 Ų447 Ų472%0.02124%0.238CC..G310 helixtrans-60.5-17.3178.4-61.8179.4000113.8L326 R327 T331 R337 T340 L341 L360L326-L329 HydrophobicContact CD2-CD1 3.83Å; L326-L329 WeakPolarHBondContact O-CB 3.04Å; L326-L329 VanDerWaalsContact O-CG 3.29Å; L326-L329 WeakPolarHBondContact O-CG 3.19Å; L326-L329 PolarHBondContact O-N 3.27Å; R327-L329 PolarHBondContact O-N 3.41Å; L329-T331 PolarHBondContact O-N 3.46Å; L329-R337 HydrophobicContact CD2-CB 4.36Å; L329-R337 HydrophobicContact CD2-CG 4.28Å; L329-R337 PolarHBondContact O-NE 3.09Å; L329-T340 HydrophobicContact CD2-CG2 3.84Å; L329-T340 HydrophobicContact CG-CG2 4.26Å; L329-L341 HydrophobicContact CD1-CD2 3.81Å; L329-L341 HydrophobicContact CD2-CD1 4.47Å; L329-L341 HydrophobicContact CD2-CD2 3.86Å; L329-L341 HydrophobicContact CD2-CG 3.8Å; L329-L341 HydrophobicContact CG-CD2 4.49Å; L329-L360 HydrophobicContact CD1-CD2 4.5Å
330S85.1Confident88.3Confident88 Ų8844.6 Ų44.662%0.61523%0.227SC*.G310 helixtrans-63.1-19.3171.467.10000113.3R327 V328R327-S330 PolarHBondContact O-N 2.99Å; R327-S330 PolarHBondContact O-OG 3.43Å; V328-S330 PolarHBondContact O-N 3.31Å
331T84.3Confident88.4Confident5 Ų539.5 Ų39.53%0.03120%0.2CC..SBendtrans-66.1133.6174.5-57.10000109.6K298 V328 L329 D333 V336 R337K298-T331 HydrophobicContact CD-CG2 3.88Å; K298-T331 PolarHBondContact NZ-OG1 3.39Å; V328-T331 VanDerWaalsContact O-CB 3.29Å; V328-T331 WeakPolarHBondContact O-CB 3.08Å; V328-T331 PolarHBondContact O-N 3.22Å; V328-T331 PolarHBondContact O-OG1 2.95Å; L329-T331 PolarHBondContact O-N 3.46Å; T331-D333 VanDerWaalsContact C-N 3.31Å; T331-D333 HydrophobicContact CG2-CB 4.09Å; T331-D333 PolarHBondContact O-N 3.49Å; T331-V336 HydrophobicContact CG2-CB 4.4Å; T331-V336 HydrophobicContact CG2-CG1 4.26Å; T331-R337 PolarHBondContact O-NE 3.09Å; T331-R337 PolarHBondContact O-NH2 3.25Å; T331-R337 VanDerWaalsContact O-NH2 3.16Å
332P81.9Confident88.4Confident101 Ų10144.4 Ų44.466%0.65622%0.223SC*.  trans-71-23.2-176.627.3-34.9000114.1L334P332-L334 PolarHBondContact O-N 3.5Å
333D86.9Confident88.4Confident43 Ų4344.5 Ų44.523%0.2322%0.223CC..  trans-64.9127.9-175.5-17385.9000113.2N295 T331 E335 V336 R337N295-D333 PolarHBondContact ND2-OD1 3.31Å; T331-D333 VanDerWaalsContact C-N 3.31Å; T331-D333 HydrophobicContact CG2-CB 4.09Å; T331-D333 PolarHBondContact O-N 3.49Å; D333-E335 WeakPolarHBondContact OD2-CA 3.42Å; D333-E335 WeakPolarHBondContact OD2-CB 3.48Å; D333-E335 PolarHBondContact OD2-N 3.03Å; D333-V336 HydrophobicContact CB-CB 4.21Å; D333-V336 HydrophobicContact CB-CG2 4.06Å; D333-V336 WeakPolarHBondContact OD2-CG2 3.18Å; D333-V336 PolarHBondContact OD2-N 3.28Å; D333-R337 WeakPolarHBondContact O-CD 3.25Å; D333-R337 VanDerWaalsContact O-CG 3.28Å; D333-R337 WeakPolarHBondContact O-CG 3.44Å; D333-R337 PolarHBondContact O-N 3.48Å; D333-R337 VanDerWaalsContact O-N 3.15Å
334L85.3Confident88.5Confident47 Ų4742 Ų4225%0.24621%0.211CC..Hα-helixtrans-68.7-34.6-176.2-176.865.1000112.5P332 R337 K338 K378P332-L334 PolarHBondContact O-N 3.5Å; L334-R337 PolarHBondContact O-N 3.3Å; L334-K338 WeakPolarHBondContact O-CB 3.06Å; L334-K338 PolarHBondContact O-N 2.9Å; L334-K378 HydrophobicContact CD1-CB 4.44Å; L334-K378 HydrophobicContact CD2-CB 4Å; L334-K378 HydrophobicContact CD2-CD 4.02Å
335E85.8Confident88.4Confident116 Ų11640.8 Ų40.854%0.54220%0.204SC..Hα-helixtrans-74.2-42.4-177.1-173.2140.7-167.700111.3L299 D333 R337 K338 K339L299-E335 HydrophobicContact CD2-CG 4.03Å; D333-E335 WeakPolarHBondContact OD2-CA 3.42Å; D333-E335 WeakPolarHBondContact OD2-CB 3.48Å; D333-E335 PolarHBondContact OD2-N 3.03Å; E335-R337 VanDerWaalsContact C-N 3.31Å; E335-R337 PolarHBondContact O-N 3.1Å; E335-K338 PolarHBondContact O-N 3.48Å; E335-K339 PolarHBondContact O-N 3.09Å
336V89.1Confident88.2Confident0 Ų042.7 Ų42.70%022%0.215CC..Hα-helixtrans-57.6-45.8170.5176.60000110.4K298 L299 V328 T331 D333 T340K298-V336 HydrophobicContact CB-CG2 4.1Å; L299-V336 HydrophobicContact CD2-CG2 3.76Å; L299-V336 HydrophobicContact CG-CG2 4.01Å; V328-V336 HydrophobicContact CG1-CG1 3.68Å; T331-V336 HydrophobicContact CG2-CB 4.4Å; T331-V336 HydrophobicContact CG2-CG1 4.26Å; D333-V336 HydrophobicContact CB-CB 4.21Å; D333-V336 HydrophobicContact CB-CG2 4.06Å; D333-V336 WeakPolarHBondContact OD2-CG2 3.18Å; D333-V336 PolarHBondContact OD2-N 3.28Å; V336-T340 VanDerWaalsContact O-CB 3.27Å; V336-T340 WeakPolarHBondContact O-CB 3.47Å; V336-T340 PolarHBondContact O-N 3.12Å; V336-T340 PolarHBondContact O-OG1 3.26Å
337R90.2Very high88.1Confident38 Ų3842.3 Ų42.314%0.14321%0.213CC..Hα-helixtrans-61.1-44.3176.3-76.3167.1167.8176.67.5112.4L329 T331 D333 L334 E335 T340 L341 Y379L329-R337 HydrophobicContact CD2-CB 4.36Å; L329-R337 HydrophobicContact CD2-CG 4.28Å; L329-R337 PolarHBondContact O-NE 3.09Å; T331-R337 PolarHBondContact O-NE 3.09Å; T331-R337 PolarHBondContact O-NH2 3.25Å; T331-R337 VanDerWaalsContact O-NH2 3.16Å; D333-R337 WeakPolarHBondContact O-CD 3.25Å; D333-R337 VanDerWaalsContact O-CG 3.28Å; D333-R337 WeakPolarHBondContact O-CG 3.44Å; D333-R337 PolarHBondContact O-N 3.48Å; D333-R337 VanDerWaalsContact O-N 3.15Å; L334-R337 PolarHBondContact O-N 3.3Å; E335-R337 VanDerWaalsContact C-N 3.31Å; E335-R337 PolarHBondContact O-N 3.1Å; R337-T340 PolarHBondContact O-N 3.39Å; R337-L341 WeakPolarHBondContact O-CB 3.3Å; R337-L341 WeakPolarHBondContact O-CG 3.25Å; R337-L341 PolarHBondContact O-N 3.45Å; R337-Y379 HydrophobicContact CB-CD2 4.2Å; R337-Y379 HydrophobicContact CB-CE2 3.94Å; R337-Y379 HydrophobicContact CG-CD2 4.37Å; R337-Y379 HydrophobicContact CG-CE2 3.91Å
338K89.2Confident88Confident122 Ų12238.3 Ų38.353%0.5320%0.2SC..Hα-helixtrans-61.5-50.1178.5-174.7-178.4177.3-176.80112.7L334 E335 T340 L341 Q342 L382L334-K338 WeakPolarHBondContact O-CB 3.06Å; L334-K338 PolarHBondContact O-N 2.9Å; E335-K338 PolarHBondContact O-N 3.48Å; K338-T340 VanDerWaalsContact C-N 3.31Å; K338-T340 PolarHBondContact O-N 2.93Å; K338-L341 PolarHBondContact O-N 3.31Å; K338-Q342 WeakPolarHBondContact O-CB 3.49Å; K338-Q342 PolarHBondContact O-N 3.36Å; K338-L382 HydrophobicContact CB-CD2 3.91Å; K338-L382 HydrophobicContact CG-CD1 4.35Å; K338-L382 HydrophobicContact CG-CD2 4.26Å
339K89.9Confident87.8Confident54 Ų5439.3 Ų39.324%0.23521%0.207CC..Hα-helixtrans-63.1-38.6176-75-170178.4-172.10111.8L299 L302 D303 I306 E335 Q342 L343L299-K339 HydrophobicContact CD2-CD 4.05Å; L302-K339 HydrophobicContact CD2-CB 3.36Å; L302-K339 HydrophobicContact CD2-CD 4.33Å; L302-K339 HydrophobicContact CD2-CG 4.48Å; L302-K339 HydrophobicContact CG-CB 4.19Å; D303-K339 IonicContact OD1-NZ 2.94Å; D303-K339 PolarHBondContact OD1-NZ 2.84Å; D303-K339 IonicContact OD2-NZ 3.76Å; D303-K339 PolarHBondContact OD2-NZ 2.97Å; I306-K339 HydrophobicContact CD1-CB 4.4Å; E335-K339 PolarHBondContact O-N 3.09Å; K339-Q342 PolarHBondContact O-N 3.2Å; K339-L343 WeakPolarHBondContact O-CB 3.34Å; K339-L343 PolarHBondContact O-N 2.87Å
340T92.4Very high87.7Confident0 Ų043.9 Ų43.90%024%0.239CC..Hα-helixtrans-63.8-46.8177.5-59.10000111.8I325 V328 L329 V336 R337 K338 Q342 L343 A344I325-T340 HydrophobicContact CG2-CG2 3.95Å; V328-T340 HydrophobicContact CB-CG2 3.96Å; V328-T340 HydrophobicContact CG1-CG2 4.24Å; V328-T340 WeakPolarHBondContact CG1-OG1 3.03Å; L329-T340 HydrophobicContact CD2-CG2 3.84Å; L329-T340 HydrophobicContact CG-CG2 4.26Å; V336-T340 VanDerWaalsContact O-CB 3.27Å; V336-T340 WeakPolarHBondContact O-CB 3.47Å; V336-T340 PolarHBondContact O-N 3.12Å; V336-T340 PolarHBondContact O-OG1 3.26Å; R337-T340 PolarHBondContact O-N 3.39Å; K338-T340 VanDerWaalsContact C-N 3.31Å; K338-T340 PolarHBondContact O-N 2.93Å; T340-Q342 VanDerWaalsContact C-N 3.34Å; T340-Q342 PolarHBondContact O-N 3.12Å; T340-L343 PolarHBondContact O-N 2.85Å; T340-A344 WeakPolarHBondContact O-CB 3.26Å; T340-A344 PolarHBondContact O-N 3.36Å
341L90.8Very high87.7Confident1 Ų150.3 Ų50.31%0.00525%0.25CC..Hα-helixtrans-65.2-38.2177.9-71.1173000111.7L329 R337 K338 A344 L345 L360 Y379 L382 L383 T386L329-L341 HydrophobicContact CD1-CD2 3.81Å; L329-L341 HydrophobicContact CD2-CD1 4.47Å; L329-L341 HydrophobicContact CD2-CD2 3.86Å; L329-L341 HydrophobicContact CD2-CG 3.8Å; L329-L341 HydrophobicContact CG-CD2 4.49Å; R337-L341 WeakPolarHBondContact O-CB 3.3Å; R337-L341 WeakPolarHBondContact O-CG 3.25Å; R337-L341 PolarHBondContact O-N 3.45Å; K338-L341 PolarHBondContact O-N 3.31Å; L341-A344 PolarHBondContact O-N 2.81Å; L341-L345 WeakPolarHBondContact O-CB 3.29Å; L341-L345 WeakPolarHBondContact O-CG 3.47Å; L341-L345 PolarHBondContact O-N 3.17Å; L341-L360 HydrophobicContact CD2-CD2 3.71Å; L341-Y379 HydrophobicContact CD1-CE2 4.25Å; L341-L382 HydrophobicContact CD1-CD2 3.69Å; L341-L382 HydrophobicContact CD1-CG 3.67Å; L341-L383 HydrophobicContact CD1-CD2 3.91Å; L341-L383 HydrophobicContact CD2-CD2 4.16Å; L341-T386 HydrophobicContact CD2-CG2 4.24Å
342Q89.6Confident87.8Confident105 Ų10550.7 Ų50.749%0.49125%0.252SS..Hα-helixtrans-63-46174.2-173.761.942.800111.7K338 K339 T340 A344 L345 D346K338-Q342 WeakPolarHBondContact O-CB 3.49Å; K338-Q342 PolarHBondContact O-N 3.36Å; K339-Q342 PolarHBondContact O-N 3.2Å; T340-Q342 VanDerWaalsContact C-N 3.34Å; T340-Q342 PolarHBondContact O-N 3.12Å; Q342-A344 VanDerWaalsContact C-N 3.34Å; Q342-A344 PolarHBondContact O-N 2.53Å; Q342-L345 PolarHBondContact O-N 3.45Å; Q342-D346 PolarHBondContact NE2-OD1 3.07Å; Q342-D346 VanDerWaalsContact O-CG 3.29Å; Q342-D346 PolarHBondContact O-N 2.99Å
343L90.5Very high88.1Confident3 Ų346.3 Ų46.32%0.01622%0.223CC..Hα-helixtrans-61.5-43.2175.5178.459.8000111.3L302 L305 I306 K309 I325 K339 T340 D346 L347L302-L343 HydrophobicContact CD1-CD2 4.01Å; L305-L343 HydrophobicContact CB-CD2 4.17Å; I306-L343 HydrophobicContact CG1-CB 4.3Å; I306-L343 HydrophobicContact CG1-CD1 4.14Å; I306-L343 HydrophobicContact CG1-CD2 4.18Å; I306-L343 HydrophobicContact CG1-CG 4.44Å; K309-L343 HydrophobicContact CB-CD1 4.49Å; K309-L343 HydrophobicContact CD-CD1 4.12Å; I325-L343 HydrophobicContact CD1-CD2 4.28Å; I325-L343 HydrophobicContact CG2-CD2 4.25Å; K339-L343 WeakPolarHBondContact O-CB 3.34Å; K339-L343 PolarHBondContact O-N 2.87Å; T340-L343 PolarHBondContact O-N 2.85Å; L343-D346 PolarHBondContact O-N 2.71Å; L343-L347 HydrophobicContact CD1-CD1 3.81Å; L343-L347 HydrophobicContact CD1-CG 4.17Å; L343-L347 HydrophobicContact CG-CD1 3.93Å; L343-L347 WeakPolarHBondContact O-CG 3.26Å; L343-L347 PolarHBondContact O-N 3.31Å; L343-L347 VanDerWaalsContact O-N 3.11Å
344A90.7Very high88.1Confident2 Ų249.8 Ų49.82%0.01724%0.238CC..Hα-helixtrans-61.3-45.6176.800000111.5L326 T340 L341 Q342 D346 L347 V348 L356L326-A344 HydrophobicContact CD2-CB 3.85Å; T340-A344 WeakPolarHBondContact O-CB 3.26Å; T340-A344 PolarHBondContact O-N 3.36Å; L341-A344 PolarHBondContact O-N 2.81Å; Q342-A344 VanDerWaalsContact C-N 3.34Å; Q342-A344 PolarHBondContact O-N 2.53Å; A344-D346 VanDerWaalsContact C-N 3.29Å; A344-D346 PolarHBondContact O-N 3.4Å; A344-L347 CarbonylContact O-C 3.53Å; A344-L347 PolarHBondContact O-N 3.48Å; A344-L347 VanDerWaalsContact O-N 3.15Å; A344-V348 WeakPolarHBondContact O-CG2 3.47Å; A344-V348 PolarHBondContact O-N 3.14Å; A344-V348 VanDerWaalsContact O-N 3.14Å; A344-L356 HydrophobicContact CB-CD1 4.3Å
345L87Confident88.2Confident15 Ų1552.9 Ų52.98%0.07925%0.251CS..Hα-helixtrans-58.6-38.1176.4-80.9173.6000113.1L341 Q342 L347 T386 C390 R393L341-L345 WeakPolarHBondContact O-CB 3.29Å; L341-L345 WeakPolarHBondContact O-CG 3.47Å; L341-L345 PolarHBondContact O-N 3.17Å; Q342-L345 PolarHBondContact O-N 3.45Å; L345-L347 VanDerWaalsContact C-N 3.35Å; L345-T386 HydrophobicContact CD1-CG2 3.88Å; L345-T386 HydrophobicContact CD2-CG2 3.69Å; L345-T386 HydrophobicContact CG-CG2 3.7Å; L345-C390 WeakPolarHBondContact CD2-SG 3.5Å; L345-R393 PolarHBondContact O-NH1 3.49Å
346D86.6Confident88.3Confident41 Ų4147.4 Ų47.422%0.21923%0.226CC..Hα-helixtrans-73.3-28.8178.9-68.5-14.3000112.4K309 Q342 L343 A344K309-D346 HydrophobicContact CD-CB 3.8Å; K309-D346 IonicContact NZ-OD2 3.85Å; K309-D346 PolarHBondContact NZ-OD2 3.39Å; Q342-D346 PolarHBondContact NE2-OD1 3.07Å; Q342-D346 VanDerWaalsContact O-CG 3.29Å; Q342-D346 PolarHBondContact O-N 2.99Å; L343-D346 PolarHBondContact O-N 2.71Å; A344-D346 VanDerWaalsContact C-N 3.29Å; A344-D346 PolarHBondContact O-N 3.4Å
347L87.9Confident88.2Confident0 Ų047.7 Ų47.70%023%0.227CC..THydrogen-bonded Turntrans-92.43178.8-64.7172.5000113.7K309 E315 L318 Q319 V322 I325 L343 A344 L345 S349 N352K309-L347 HydrophobicContact CG-CD2 4.06Å; E315-L347 HydrophobicContact CG-CD2 3.96Å; L318-L347 HydrophobicContact CB-CD1 3.86Å; L318-L347 HydrophobicContact CB-CD2 3.71Å; L318-L347 HydrophobicContact CB-CG 4.46Å; Q319-L347 HydrophobicContact CG-CB 4.47Å; Q319-L347 HydrophobicContact CG-CD2 4.32Å; Q319-L347 WeakPolarHBondContact CG-O 3.4Å; V322-L347 HydrophobicContact CG2-CB 3.49Å; V322-L347 VanDerWaalsContact CG2-CB 3.49Å; V322-L347 HydrophobicContact CG2-CD1 4.16Å; V322-L347 HydrophobicContact CG2-CG 4.48Å; I325-L347 HydrophobicContact CD1-CD1 3.65Å; L343-L347 HydrophobicContact CD1-CD1 3.81Å; L343-L347 HydrophobicContact CD1-CG 4.17Å; L343-L347 HydrophobicContact CG-CD1 3.93Å; L343-L347 WeakPolarHBondContact O-CG 3.26Å; L343-L347 PolarHBondContact O-N 3.31Å; L343-L347 VanDerWaalsContact O-N 3.11Å; A344-L347 CarbonylContact O-C 3.53Å; A344-L347 PolarHBondContact O-N 3.48Å; A344-L347 VanDerWaalsContact O-N 3.15Å; L345-L347 VanDerWaalsContact C-N 3.35Å; L347-S349 PolarHBondContact O-N 2.98Å; L347-N352 PolarHBondContact O-ND2 2.92Å; L347-N352 VanDerWaalsContact O-ND2 3.1Å
348V88.1Confident88.1Confident18 Ų1849.6 Ų49.611%0.10924%0.239CC..  trans-70.7131.2179.1-173.10000110.7A344 N352 V353 L356 F394A344-V348 WeakPolarHBondContact O-CG2 3.47Å; A344-V348 PolarHBondContact O-N 3.14Å; A344-V348 VanDerWaalsContact O-N 3.14Å; V348-N352 WeakPolarHBondContact CA-OD1 3.38Å; V348-V353 HydrophobicContact CG1-CB 3.72Å; V348-V353 HydrophobicContact CG1-CG2 3.84Å; V348-L356 HydrophobicContact CG2-CD1 3.58Å; V348-L356 HydrophobicContact CG2-CD2 4.45Å; V348-F394 HydrophobicContact CB-CE2 4.05Å; V348-F394 HydrophobicContact CG1-CD2 4.06Å; V348-F394 HydrophobicContact CG1-CE2 3.33Å; V348-F394 HydrophobicContact CG1-CZ 3.85Å
349S86.4Confident88.1Confident22 Ų2245.7 Ų45.715%0.15423%0.226CC..  trans-127.9169.7172.470.50000110.1L347 R351 N352 V353L347-S349 PolarHBondContact O-N 2.98Å; S349-R351 PolarHBondContact O-N 3.18Å; S349-R351 PolarHBondContact OG-N 2.88Å; S349-N352 PolarHBondContact N-OD1 2.9Å; S349-N352 PolarHBondContact O-N 2.99Å; S349-N352 PolarHBondContact O-OD1 3.38Å; S349-V353 WeakPolarHBondContact O-CB 3.41Å; S349-V353 PolarHBondContact O-N 3.36Å; S349-V353 VanDerWaalsContact O-N 3.16Å
350S84.5Confident88Confident101 Ų10143.2 Ų43.271%0.70622%0.215SC*.THydrogen-bonded Turntrans-60.5-13.3174.660.30000113.8
351R84.7Confident87.7Confident222 Ų22247.3 Ų47.384%0.83823%0.233SC*.THydrogen-bonded Turntrans-86.6-34.4-179.9-63.9-178.7176.7179.3-1.5113.7S349S349-R351 PolarHBondContact O-N 3.18Å; S349-R351 PolarHBondContact OG-N 2.88Å
352N86.8Confident87.5Confident13 Ų1353.4 Ų53.47%0.0726%0.26CS..THydrogen-bonded Turntrans-109.2-10-172.162.515.8000113.3Q319 L347 V348 S349 E354 E355 L356Q319-N352 PolarHBondContact O-ND2 3.06Å; Q319-N352 VanDerWaalsContact O-ND2 3.15Å; L347-N352 PolarHBondContact O-ND2 2.92Å; L347-N352 VanDerWaalsContact O-ND2 3.1Å; V348-N352 WeakPolarHBondContact CA-OD1 3.38Å; S349-N352 PolarHBondContact N-OD1 2.9Å; S349-N352 PolarHBondContact O-N 2.99Å; S349-N352 PolarHBondContact O-OD1 3.38Å; N352-E354 VanDerWaalsContact C-N 3.31Å; N352-E354 PolarHBondContact O-N 3.38Å; N352-E355 PolarHBondContact O-N 3.02Å; N352-L356 WeakPolarHBondContact O-CB 3.17Å; N352-L356 PolarHBondContact O-N 2.79Å
353V87Confident87.4Confident9 Ų949.6 Ų49.66%0.05524%0.242CC..Hα-helixtrans-59.4-38.3-175.367.40000113.2V348 S349 L356 V357 F394 M397V348-V353 HydrophobicContact CG1-CB 3.72Å; V348-V353 HydrophobicContact CG1-CG2 3.84Å; S349-V353 WeakPolarHBondContact O-CB 3.41Å; S349-V353 PolarHBondContact O-N 3.36Å; S349-V353 VanDerWaalsContact O-N 3.16Å; V353-L356 PolarHBondContact O-N 3.12Å; V353-V357 HydrophobicContact CG2-CG2 4.21Å; V353-V357 WeakPolarHBondContact O-CB 3.14Å; V353-V357 VanDerWaalsContact O-CG2 3.26Å; V353-V357 WeakPolarHBondContact O-CG2 3.47Å; V353-V357 PolarHBondContact O-N 3.19Å; V353-F394 HydrophobicContact CB-CD2 4.24Å; V353-F394 HydrophobicContact CB-CG 4.31Å; V353-F394 HydrophobicContact CG1-CD1 4.43Å; V353-F394 HydrophobicContact CG1-CG 4.32Å; V353-F394 HydrophobicContact CG2-CB 4.04Å; V353-F394 HydrophobicContact CG2-CD2 3.61Å; V353-F394 HydrophobicContact CG2-CE2 4.25Å; V353-F394 HydrophobicContact CG2-CG 3.86Å; V353-M397 HydrophobicContact CG1-CG 3.93Å; V353-M397 HydrophobicContact CG1-SD 4.4Å; V353-M397 HydrophobicContact CG2-CG 3.93Å
354E87.4Confident87Confident116 Ų11649.4 Ų49.454%0.54224%0.241SC..Hα-helixtrans-62.7-50-178.8-179.1170.8-167.500111.5N352 V357 I358 M397N352-E354 VanDerWaalsContact C-N 3.31Å; N352-E354 PolarHBondContact O-N 3.38Å; E354-V357 PolarHBondContact O-N 2.9Å; E354-I358 HydrophobicContact CG-CD1 4.21Å; E354-I358 WeakPolarHBondContact O-CD1 3.5Å; E354-I358 VanDerWaalsContact O-CG1 3.29Å; E354-I358 WeakPolarHBondContact O-CG1 3.14Å; E354-I358 PolarHBondContact O-N 2.68Å; E354-I358 VanDerWaalsContact O-N 3.12Å; E354-M397 HydrophobicContact CB-CE 4.06Å; E354-M397 HydrophobicContact CB-SD 4.04Å; E354-M397 HydrophobicContact CG-CE 4Å; E354-M397 HydrophobicContact CG-SD 4.38Å
355E87Confident86.6Confident112 Ų11252.8 Ų52.852%0.52326%0.258SS..Hα-helixtrans-65.4-40.6178.3-61.7-171.9172.400112.1M323 N352 V357 I358 V359M323-E355 HydrophobicContact CE-CB 3.65Å; M323-E355 WeakPolarHBondContact CG-OE2 3.47Å; M323-E355 HydrophobicContact SD-CB 3.69Å; N352-E355 PolarHBondContact O-N 3.02Å; E355-V357 PolarHBondContact O-N 3.1Å; E355-I358 PolarHBondContact O-N 2.7Å; E355-V359 PolarHBondContact O-N 3.06Å
356L87.9Confident86.4Confident2 Ų257.5 Ų57.51%0.0128%0.278CS..Hα-helixtrans-61.1-45.5177177.3147000111.6V322 L326 A344 V348 N352 V353 I358 V359 L360V322-L356 HydrophobicContact CG1-CD1 3.75Å; L326-L356 HydrophobicContact CD1-CB 4.27Å; L326-L356 HydrophobicContact CD1-CD1 4.15Å; L326-L356 HydrophobicContact CD1-CG 3.96Å; A344-L356 HydrophobicContact CB-CD1 4.3Å; V348-L356 HydrophobicContact CG2-CD1 3.58Å; V348-L356 HydrophobicContact CG2-CD2 4.45Å; N352-L356 WeakPolarHBondContact O-CB 3.17Å; N352-L356 PolarHBondContact O-N 2.79Å; V353-L356 PolarHBondContact O-N 3.12Å; L356-I358 VanDerWaalsContact C-N 3.3Å; L356-I358 PolarHBondContact O-N 2.85Å; L356-V359 PolarHBondContact O-N 3.36Å; L356-L360 HydrophobicContact CD2-CD1 3.48Å; L356-L360 VanDerWaalsContact CD2-CD1 3.48Å; L356-L360 HydrophobicContact CD2-CG 4.12Å; L356-L360 HydrophobicContact CG-CD1 4.31Å; L356-L360 HydrophobicContact CG-CG 4.49Å; L356-L360 WeakPolarHBondContact O-CG 3.27Å; L356-L360 PolarHBondContact O-N 3.05Å
357V87.3Confident85.9Confident5 Ų556 Ų563%0.0327%0.27CS..Hα-helixtrans-62.1-38.9177.3166.40000111V353 E354 E355 L360 K361 L387 M397 V401V353-V357 HydrophobicContact CG2-CG2 4.21Å; V353-V357 WeakPolarHBondContact O-CB 3.14Å; V353-V357 VanDerWaalsContact O-CG2 3.26Å; V353-V357 WeakPolarHBondContact O-CG2 3.47Å; V353-V357 PolarHBondContact O-N 3.19Å; E354-V357 PolarHBondContact O-N 2.9Å; E355-V357 PolarHBondContact O-N 3.1Å; V357-L360 PolarHBondContact O-N 2.93Å; V357-K361 VanDerWaalsContact O-CB 3.25Å; V357-K361 WeakPolarHBondContact O-CB 3.4Å; V357-K361 PolarHBondContact O-N 2.67Å; V357-L387 HydrophobicContact CG1-CD2 4.39Å; V357-M397 HydrophobicContact CB-CE 4.12Å; V357-M397 HydrophobicContact CG1-CE 4.17Å; V357-M397 HydrophobicContact CG2-CB 4.42Å; V357-M397 HydrophobicContact CG2-CE 4.41Å; V357-V401 HydrophobicContact CG1-CG2 3.44Å; V357-V401 VanDerWaalsContact CG1-CG2 3.44Å; V357-V401 HydrophobicContact CG2-CG2 4.36Å
358I88.1Confident85Confident78 Ų7860.9 Ų60.940%0.430%0.296SS..Hα-helixtrans-63.4-42.1176.3-67.8163.8000111.1E354 E355 L356 K362E354-I358 HydrophobicContact CG-CD1 4.21Å; E354-I358 WeakPolarHBondContact O-CD1 3.5Å; E354-I358 VanDerWaalsContact O-CG1 3.29Å; E354-I358 WeakPolarHBondContact O-CG1 3.14Å; E354-I358 PolarHBondContact O-N 2.68Å; E354-I358 VanDerWaalsContact O-N 3.12Å; E355-I358 PolarHBondContact O-N 2.7Å; L356-I358 VanDerWaalsContact C-N 3.3Å; L356-I358 PolarHBondContact O-N 2.85Å; I358-K362 WeakPolarHBondContact O-CG 3.41Å; I358-K362 PolarHBondContact O-N 3.14Å; I358-K362 VanDerWaalsContact O-N 3.07Å
359V89.5Confident83.9Confident41 Ų4166.4 Ų66.425%0.24833%0.325CS..Hα-helixtrans-66.6-47.4177172.10000111.2M323 L326 E355 L356 K361 K362 E363M323-V359 HydrophobicContact CE-CG2 3.47Å; M323-V359 VanDerWaalsContact CE-CG2 3.47Å; L326-V359 HydrophobicContact CB-CG1 4.31Å; L326-V359 HydrophobicContact CD1-CB 4.23Å; L326-V359 HydrophobicContact CD1-CG1 4.12Å; E355-V359 PolarHBondContact O-N 3.06Å; L356-V359 PolarHBondContact O-N 3.36Å; V359-K361 VanDerWaalsContact C-N 3.32Å; V359-K361 PolarHBondContact O-N 2.82Å; V359-K362 WeakPolarHBondContact O-CB 3.36Å; V359-K362 PolarHBondContact O-N 2.88Å; V359-K362 VanDerWaalsContact O-N 3.14Å; V359-E363 PolarHBondContact O-N 3.24Å
360L88.5Confident82.9Confident2 Ų269.1 Ų69.11%0.0134%0.34CS..Hα-helixtrans-60.5-41177.1-69.7-177.8000111.7L329 L341 L356 V357 K362 E363 V364 L383 T386 L387L329-L360 HydrophobicContact CD1-CD2 4.5Å; L341-L360 HydrophobicContact CD2-CD2 3.71Å; L356-L360 HydrophobicContact CD2-CD1 3.48Å; L356-L360 VanDerWaalsContact CD2-CD1 3.48Å; L356-L360 HydrophobicContact CD2-CG 4.12Å; L356-L360 HydrophobicContact CG-CD1 4.31Å; L356-L360 HydrophobicContact CG-CG 4.49Å; L356-L360 WeakPolarHBondContact O-CG 3.27Å; L356-L360 PolarHBondContact O-N 3.05Å; V357-L360 PolarHBondContact O-N 2.93Å; L360-K362 PolarHBondContact O-N 3.43Å; L360-E363 PolarHBondContact O-N 2.88Å; L360-V364 WeakPolarHBondContact O-CB 3.18Å; L360-V364 VanDerWaalsContact O-CG2 3.26Å; L360-V364 WeakPolarHBondContact O-CG2 3.31Å; L360-V364 PolarHBondContact O-N 3.47Å; L360-L383 HydrophobicContact CD2-CD2 3.89Å; L360-T386 HydrophobicContact CD1-CG2 3.67Å; L360-L387 HydrophobicContact CB-CD1 4.42Å; L360-L387 HydrophobicContact CB-CD2 3.66Å; L360-L387 HydrophobicContact CB-CG 4.01Å; L360-L387 HydrophobicContact CD1-CD2 3.84Å; L360-L387 HydrophobicContact CD1-CG 4.12Å; L360-L387 HydrophobicContact CG-CD2 4.43Å
361K85.9Confident81.3Confident85 Ų8570.2 Ų70.237%0.3734%0.343SS..Hα-helixtrans-57.4-47.9173.1172.7175.9-1771600111.6V357 V359 E363 V364 I365 V404V357-K361 VanDerWaalsContact O-CB 3.25Å; V357-K361 WeakPolarHBondContact O-CB 3.4Å; V357-K361 PolarHBondContact O-N 2.67Å; V359-K361 VanDerWaalsContact C-N 3.32Å; V359-K361 PolarHBondContact O-N 2.82Å; K361-E363 VanDerWaalsContact C-N 3.29Å; K361-E363 PolarHBondContact O-N 3.27Å; K361-V364 PolarHBondContact O-N 3.16Å; K361-I365 HydrophobicContact CG-CD1 3.89Å; K361-I365 WeakPolarHBondContact O-CD1 3.44Å; K361-I365 VanDerWaalsContact O-CG1 3.26Å; K361-I365 WeakPolarHBondContact O-CG1 3.34Å; K361-I365 PolarHBondContact O-N 3.45Å; K361-V404 HydrophobicContact CD-CG2 3.58Å; K361-V404 HydrophobicContact CG-CG1 4.09Å; K361-V404 HydrophobicContact CG-CG2 3.94Å; K361-V404 VanDerWaalsContact NZ-CG2 3.25Å
362K87.2Confident79.9Confident130 Ų13066.6 Ų66.657%0.56534%0.335SS*.Hα-helixtrans-61.2-41.3177.4-74.5175.9-178.6177.20111.3I358 V359 L360 I365 K366I358-K362 WeakPolarHBondContact O-CG 3.41Å; I358-K362 PolarHBondContact O-N 3.14Å; I358-K362 VanDerWaalsContact O-N 3.07Å; V359-K362 WeakPolarHBondContact O-CB 3.36Å; V359-K362 PolarHBondContact O-N 2.88Å; V359-K362 VanDerWaalsContact O-N 3.14Å; L360-K362 PolarHBondContact O-N 3.43Å; K362-I365 PolarHBondContact O-N 2.98Å; K362-K366 WeakPolarHBondContact O-CG 3.23Å; K362-K366 PolarHBondContact O-N 2.87Å
363E85.6Confident78.5Confident24 Ų2472.2 Ų72.211%0.11236%0.361CS..Hα-helixtrans-67.5-43.1-179.3-161.363.2-171.800111.9V359 L360 K361 I365 K366 T367 Y379 L383V359-E363 PolarHBondContact O-N 3.24Å; L360-E363 PolarHBondContact O-N 2.88Å; K361-E363 VanDerWaalsContact C-N 3.29Å; K361-E363 PolarHBondContact O-N 3.27Å; E363-I365 PolarHBondContact O-N 3.49Å; E363-K366 WeakPolarHBondContact O-CB 3.43Å; E363-K366 PolarHBondContact O-N 2.91Å; E363-K366 WeakPolarHBondContact OE2-CD 3.12Å; E363-K366 IonicContact OE2-NZ 2.78Å; E363-K366 PolarHBondContact OE2-NZ 3.27Å; E363-T367 WeakPolarHBondContact O-CG2 3.49Å; E363-T367 PolarHBondContact O-N 2.9Å; E363-T367 VanDerWaalsContact O-N 3.13Å; E363-Y379 HydrophobicContact CG-CE1 4.22Å; E363-Y379 WeakPolarHBondContact CG-OH 3.25Å; E363-Y379 PolarHBondContact OE1-OH 2.82Å; E363-L383 HydrophobicContact CB-CD1 4.39Å; E363-L383 HydrophobicContact CG-CD1 4.06Å; E363-L383 HydrophobicContact CG-CD2 4.35Å
364V83.3Confident77.2Confident0 Ų080.1 Ų80.10%040%0.397CS..Hα-helixtrans-58.2-46.6172.9165.80000111.2L360 K361 K366 T367 L383 L387 F408L360-V364 WeakPolarHBondContact O-CB 3.18Å; L360-V364 VanDerWaalsContact O-CG2 3.26Å; L360-V364 WeakPolarHBondContact O-CG2 3.31Å; L360-V364 PolarHBondContact O-N 3.47Å; K361-V364 PolarHBondContact O-N 3.16Å; V364-K366 VanDerWaalsContact C-N 3.32Å; V364-K366 PolarHBondContact O-N 3.22Å; V364-T367 PolarHBondContact O-N 3.45Å; V364-T367 VanDerWaalsContact O-N 3.13Å; V364-T367 PolarHBondContact O-OG1 2.81Å; V364-L383 HydrophobicContact CG2-CB 3.54Å; V364-L383 HydrophobicContact CG2-CD1 3.85Å; V364-L383 HydrophobicContact CG2-CG 4.25Å; V364-L387 HydrophobicContact CG2-CD1 3.86Å; V364-F408 HydrophobicContact CB-CZ 4.47Å; V364-F408 HydrophobicContact CG1-CD2 4.21Å; V364-F408 HydrophobicContact CG1-CE1 3.95Å; V364-F408 HydrophobicContact CG1-CE2 3.21Å; V364-F408 HydrophobicContact CG1-CZ 3.06Å
365I81.8Confident76.4Confident73 Ų7378.6 Ų78.637%0.37439%0.393SS..Hα-helixtrans-62.5-37.9176.9-66.7164.2000111.6K361 K362 E363 T367 N368K361-I365 HydrophobicContact CG-CD1 3.89Å; K361-I365 WeakPolarHBondContact O-CD1 3.44Å; K361-I365 VanDerWaalsContact O-CG1 3.26Å; K361-I365 WeakPolarHBondContact O-CG1 3.34Å; K361-I365 PolarHBondContact O-N 3.45Å; K362-I365 PolarHBondContact O-N 2.98Å; E363-I365 PolarHBondContact O-N 3.49Å; I365-T367 VanDerWaalsContact C-N 3.29Å; I365-T367 PolarHBondContact O-N 2.91Å; I365-N368 VanDerWaalsContact O-CB 3.32Å; I365-N368 WeakPolarHBondContact O-CB 3.09Å; I365-N368 PolarHBondContact O-N 3.38Å
366K82.3Confident76Confident114 Ų11474 Ų7450%0.49637%0.372SS..Hα-helixtrans-61.6-38.2175.5-71.5175-159.5162.20111.9K362 E363 V364 N368 N369 V370K362-K366 WeakPolarHBondContact O-CG 3.23Å; K362-K366 PolarHBondContact O-N 2.87Å; E363-K366 WeakPolarHBondContact O-CB 3.43Å; E363-K366 PolarHBondContact O-N 2.91Å; E363-K366 WeakPolarHBondContact OE2-CD 3.12Å; E363-K366 IonicContact OE2-NZ 2.78Å; E363-K366 PolarHBondContact OE2-NZ 3.27Å; V364-K366 VanDerWaalsContact C-N 3.32Å; V364-K366 PolarHBondContact O-N 3.22Å; K366-N368 PolarHBondContact O-N 3.38Å; K366-N368 VanDerWaalsContact O-N 3.12Å; K366-N369 PolarHBondContact O-N 2.68Å; K366-V370 WeakPolarHBondContact O-CG2 3.44Å
367T77.2Confident75.5Confident8 Ų876 Ų765%0.04938%0.383CS..Hα-helixtrans-63.5-15.9178.967.80000113.9E363 V364 I365 Y379 L383E363-T367 WeakPolarHBondContact O-CG2 3.49Å; E363-T367 PolarHBondContact O-N 2.9Å; E363-T367 VanDerWaalsContact O-N 3.13Å; V364-T367 PolarHBondContact O-N 3.45Å; V364-T367 VanDerWaalsContact O-N 3.13Å; V364-T367 PolarHBondContact O-OG1 2.81Å; I365-T367 VanDerWaalsContact C-N 3.29Å; I365-T367 PolarHBondContact O-N 2.91Å; T367-Y379 HydrophobicContact CG2-CD1 3.85Å; T367-Y379 HydrophobicContact CG2-CE1 4.01Å; T367-L383 HydrophobicContact CG2-CD1 4.02Å
368N68.9Low75.2Confident104 Ų10481.1 Ų81.156%0.55641%0.405SS*.Hα-helixtrans-79.3-25.7174.9-162.928.9000112.8I365 K366I365-N368 VanDerWaalsContact O-CB 3.32Å; I365-N368 WeakPolarHBondContact O-CB 3.09Å; I365-N368 PolarHBondContact O-N 3.38Å; K366-N368 PolarHBondContact O-N 3.38Å; K366-N368 VanDerWaalsContact O-N 3.12Å
369N64.8Low75.1Confident134 Ų13477.6 Ų77.672%0.71739%0.387SS*.Hα-helixtrans-98.6-5-174-67.5-22.1000113.6K366K366-N369 PolarHBondContact O-N 2.68Å
370V64.6Low74.7Confident78 Ų7876.2 Ų76.247%0.47338%0.377SS..SBendtrans-100.2127.4-177-179.10000108.9K366 E372K366-V370 WeakPolarHBondContact O-CG2 3.44Å; V370-E372 PolarHBondContact O-N 3.46Å
371T52.6Low74.4Confident124 Ų12478 Ų7876%0.76139%0.386SS*.  trans-51.4134176.313.70000111.7H373T371-H373 PolarHBondContact O-N 3.48Å; T371-H373 VanDerWaalsContact O-N 3.1Å
372E53.7Low74.4Confident146 Ų14675.7 Ų75.768%0.68238%0.377SS*.  trans-52.2107.6-172.4-63.8177.2170.100112.5V370V370-E372 PolarHBondContact O-N 3.46Å
373H57.6Low74.4Confident132 Ų13269.5 Ų69.561%0.61135%0.35SS*.  trans-100.8144155.7-69.9-67.3000107.2T371 D375 T376T371-H373 PolarHBondContact O-N 3.48Å; T371-H373 VanDerWaalsContact O-N 3.1Å; H373-D375 PolarHBondContact O-N 3.27Å; H373-T376 VanDerWaalsContact O-CB 3.28Å; H373-T376 WeakPolarHBondContact O-CB 3.48Å; H373-T376 PolarHBondContact O-N 3.38Å; H373-T376 PolarHBondContact O-OG1 2.94Å
374E60.3Low74.4Confident174 Ų17468.4 Ų68.481%0.81335%0.345SS*.Hα-helixtrans-53.5-29.7-177.2-69.1-174157.900113.7
375D70.9Confident74.5Confident84 Ų8472.9 Ų72.945%0.44936%0.362SS..Hα-helixtrans-82.6-15.8178.5-67.8-35.1000114H373 D377 K378 Y379H373-D375 PolarHBondContact O-N 3.27Å; D375-D377 VanDerWaalsContact C-N 3.32Å; D375-D377 PolarHBondContact O-N 3.06Å; D375-K378 PolarHBondContact O-N 3.17Å; D375-K378 IonicContact OD1-NZ 2.73Å; D375-Y379 WeakPolarHBondContact O-CB 3.45Å; D375-Y379 PolarHBondContact O-N 3.11Å
376T77.6Confident74.8Confident15 Ų1569.7 Ų69.79%0.09235%0.346CS..Hα-helixtrans-66.3-37.3177.3-58.70000110.9H373 Y379 R380H373-T376 VanDerWaalsContact O-CB 3.28Å; H373-T376 WeakPolarHBondContact O-CB 3.48Å; H373-T376 PolarHBondContact O-N 3.38Å; H373-T376 PolarHBondContact O-OG1 2.94Å; T376-Y379 PolarHBondContact O-N 3.17Å; T376-R380 WeakPolarHBondContact O-CB 3.38Å; T376-R380 PolarHBondContact O-N 2.89Å
377D78Confident75Confident45 Ų4564.4 Ų64.424%0.24132%0.323CS..Hα-helixtrans-67.9-42.1178.2-77.7-19.3000112.2D375 Y379 R380 Q381 N413D375-D377 VanDerWaalsContact C-N 3.32Å; D375-D377 PolarHBondContact O-N 3.06Å; D377-Y379 VanDerWaalsContact C-N 3.34Å; D377-R380 PolarHBondContact O-N 2.84Å; D377-R380 IonicContact OD1-CZ 3.58Å; D377-R380 VanDerWaalsContact OD1-CZ 3.3Å; D377-R380 IonicContact OD1-NH1 2.77Å; D377-R380 PolarHBondContact OD1-NH1 3.1Å; D377-R380 IonicContact OD1-NH2 2.7Å; D377-R380 PolarHBondContact OD1-NH2 3.26Å; D377-Q381 PolarHBondContact O-N 3.08Å; D377-N413 WeakPolarHBondContact CB-ND2 3.43Å
378K81.3Confident75.4Confident113 Ų11365.6 Ų65.649%0.49133%0.328SS..Hα-helixtrans-64.2-40.2173.3-65.4176.2-171.5159.10111.4L334 D375 Q381 L382L334-K378 HydrophobicContact CD1-CB 4.44Å; L334-K378 HydrophobicContact CD2-CB 4Å; L334-K378 HydrophobicContact CD2-CD 4.02Å; D375-K378 PolarHBondContact O-N 3.17Å; D375-K378 IonicContact OD1-NZ 2.73Å; K378-Q381 PolarHBondContact O-N 2.93Å; K378-L382 WeakPolarHBondContact O-CB 3.44Å; K378-L382 PolarHBondContact O-N 2.91Å
379Y85Confident76.1Confident4 Ų462.3 Ų62.32%0.01631%0.313CS..Hα-helixtrans-65.6-41.8175.6180-130000112.1R337 L341 E363 T367 D375 T376 D377 Q381 L382 L383R337-Y379 HydrophobicContact CB-CD2 4.2Å; R337-Y379 HydrophobicContact CB-CE2 3.94Å; R337-Y379 HydrophobicContact CG-CD2 4.37Å; R337-Y379 HydrophobicContact CG-CE2 3.91Å; L341-Y379 HydrophobicContact CD1-CE2 4.25Å; E363-Y379 HydrophobicContact CG-CE1 4.22Å; E363-Y379 WeakPolarHBondContact CG-OH 3.25Å; E363-Y379 PolarHBondContact OE1-OH 2.82Å; T367-Y379 HydrophobicContact CG2-CD1 3.85Å; T367-Y379 HydrophobicContact CG2-CE1 4.01Å; D375-Y379 WeakPolarHBondContact O-CB 3.45Å; D375-Y379 PolarHBondContact O-N 3.11Å; T376-Y379 PolarHBondContact O-N 3.17Å; D377-Y379 VanDerWaalsContact C-N 3.34Å; Y379-Q381 PolarHBondContact O-N 3.1Å; Y379-L382 WeakPolarHBondContact O-CB 3.48Å; Y379-L382 PolarHBondContact O-N 3.4Å; Y379-L383 HydrophobicContact CD1-CD1 4.11Å; Y379-L383 HydrophobicContact CD2-CD1 4.48Å; Y379-L383 HydrophobicContact CD2-CG 4.26Å; Y379-L383 HydrophobicContact CE1-CD1 3.75Å; Y379-L383 HydrophobicContact CE1-CG 4.45Å; Y379-L383 HydrophobicContact CE2-CD1 4.13Å; Y379-L383 HydrophobicContact CE2-CD2 3.98Å; Y379-L383 HydrophobicContact CE2-CG 3.92Å; Y379-L383 HydrophobicContact CG-CD1 4.48Å; Y379-L383 WeakPolarHBondContact O-CG 3.49Å; Y379-L383 PolarHBondContact O-N 2.94Å
380R81.1Confident77.1Confident11 Ų1156 Ų564%0.04228%0.279CS..Hα-helixtrans-59.7-47.6175.3-168-176-51.4124.515.8110.8T376 D377 L382 L383 V384 D411T376-R380 WeakPolarHBondContact O-CB 3.38Å; T376-R380 PolarHBondContact O-N 2.89Å; D377-R380 PolarHBondContact O-N 2.84Å; D377-R380 IonicContact OD1-CZ 3.58Å; D377-R380 VanDerWaalsContact OD1-CZ 3.3Å; D377-R380 IonicContact OD1-NH1 2.77Å; D377-R380 PolarHBondContact OD1-NH1 3.1Å; D377-R380 IonicContact OD1-NH2 2.7Å; D377-R380 PolarHBondContact OD1-NH2 3.26Å; R380-L382 VanDerWaalsContact C-N 3.29Å; R380-L382 PolarHBondContact O-N 3.08Å; R380-L383 PolarHBondContact O-N 3.27Å; R380-V384 WeakPolarHBondContact O-CG2 3.5Å; R380-V384 PolarHBondContact O-N 3.09Å; R380-D411 WeakPolarHBondContact CD-OD2 3.34Å; R380-D411 IonicContact CZ-OD2 3.55Å; R380-D411 IonicContact NE-OD2 3.96Å; R380-D411 IonicContact NH1-OD1 3.16Å; R380-D411 IonicContact NH1-OD2 3.96Å; R380-D411 PolarHBondContact NH1-OD2 2.83Å
381Q83.8Confident77.9Confident41 Ų4152.2 Ų52.219%0.19226%0.257CS..Hα-helixtrans-56.9-44.5175.3-172.3-179.314.500111.7D377 K378 Y379 L383 V384 R385 A416 D419D377-Q381 PolarHBondContact O-N 3.08Å; K378-Q381 PolarHBondContact O-N 2.93Å; Y379-Q381 PolarHBondContact O-N 3.1Å; Q381-L383 PolarHBondContact O-N 3.29Å; Q381-V384 PolarHBondContact O-N 2.92Å; Q381-R385 VanDerWaalsContact NE2-NH2 3.14Å; Q381-R385 WeakPolarHBondContact O-CG 3.37Å; Q381-R385 PolarHBondContact O-N 3.48Å; Q381-A416 HydrophobicContact CB-CB 4.43Å; Q381-D419 VanDerWaalsContact CG-OD2 3.25Å; Q381-D419 WeakPolarHBondContact CG-OD2 3.01Å; Q381-D419 PolarHBondContact NE2-OD2 3.13Å
382L85.4Confident79.3Confident36 Ų3647.4 Ų47.419%0.18823%0.227CC..Hα-helixtrans-62.8-40.4178.4-178.866.5000112.7K338 L341 K378 Y379 R380 R385 T386K338-L382 HydrophobicContact CB-CD2 3.91Å; K338-L382 HydrophobicContact CG-CD1 4.35Å; K338-L382 HydrophobicContact CG-CD2 4.26Å; L341-L382 HydrophobicContact CD1-CD2 3.69Å; L341-L382 HydrophobicContact CD1-CG 3.67Å; K378-L382 WeakPolarHBondContact O-CB 3.44Å; K378-L382 PolarHBondContact O-N 2.91Å; Y379-L382 WeakPolarHBondContact O-CB 3.48Å; Y379-L382 PolarHBondContact O-N 3.4Å; R380-L382 VanDerWaalsContact C-N 3.29Å; R380-L382 PolarHBondContact O-N 3.08Å; L382-R385 PolarHBondContact O-N 3.15Å; L382-T386 WeakPolarHBondContact O-CB 3.49Å; L382-T386 PolarHBondContact O-N 3.36Å; L382-T386 PolarHBondContact O-OG1 3.19Å
383L87.2Confident80.6Confident0 Ų045.7 Ų45.70%021%0.214CC..Hα-helixtrans-64.9-42175-69.5170.5000111.9L341 L360 E363 V364 T367 Y379 R380 Q381 T386 L387L341-L383 HydrophobicContact CD1-CD2 3.91Å; L341-L383 HydrophobicContact CD2-CD2 4.16Å; L360-L383 HydrophobicContact CD2-CD2 3.89Å; E363-L383 HydrophobicContact CB-CD1 4.39Å; E363-L383 HydrophobicContact CG-CD1 4.06Å; E363-L383 HydrophobicContact CG-CD2 4.35Å; V364-L383 HydrophobicContact CG2-CB 3.54Å; V364-L383 HydrophobicContact CG2-CD1 3.85Å; V364-L383 HydrophobicContact CG2-CG 4.25Å; T367-L383 HydrophobicContact CG2-CD1 4.02Å; Y379-L383 HydrophobicContact CD1-CD1 4.11Å; Y379-L383 HydrophobicContact CD2-CD1 4.48Å; Y379-L383 HydrophobicContact CD2-CG 4.26Å; Y379-L383 HydrophobicContact CE1-CD1 3.75Å; Y379-L383 HydrophobicContact CE1-CG 4.45Å; Y379-L383 HydrophobicContact CE2-CD1 4.13Å; Y379-L383 HydrophobicContact CE2-CD2 3.98Å; Y379-L383 HydrophobicContact CE2-CG 3.92Å; Y379-L383 HydrophobicContact CG-CD1 4.48Å; Y379-L383 WeakPolarHBondContact O-CG 3.49Å; Y379-L383 PolarHBondContact O-N 2.94Å; R380-L383 PolarHBondContact O-N 3.27Å; Q381-L383 PolarHBondContact O-N 3.29Å; L383-T386 WeakPolarHBondContact O-CB 3.03Å; L383-T386 PolarHBondContact O-N 2.89Å; L383-L387 PolarHBondContact O-N 3.21Å
384V85.6Confident81.8Confident1 Ų141.5 Ų41.51%0.00619%0.194CC..Hα-helixtrans-61.3-48.1175.9170.40000110.8R380 Q381 T386 L387 H388 L405 D419 V420R380-V384 WeakPolarHBondContact O-CG2 3.5Å; R380-V384 PolarHBondContact O-N 3.09Å; Q381-V384 PolarHBondContact O-N 2.92Å; V384-T386 VanDerWaalsContact C-N 3.27Å; V384-T386 PolarHBondContact O-N 3.28Å; V384-L387 PolarHBondContact O-N 3.01Å; V384-H388 WeakPolarHBondContact O-CB 3.38Å; V384-H388 PolarHBondContact O-N 3.41Å; V384-L405 HydrophobicContact CG1-CD2 4.33Å; V384-L405 HydrophobicContact CG2-CD2 4.12Å; V384-D419 HydrophobicContact CG1-CB 4.19Å; V384-V420 HydrophobicContact CG1-CG2 3.6Å; V384-V420 HydrophobicContact CG2-CG2 4.32Å
385R85.4Confident82.8Confident93 Ų9335.6 Ų35.635%0.35117%0.171SC..Hα-helixtrans-58.7-39.3175.7-72.8179.9176.7-166.1-5.9112Q381 L382 H388 S389 D419 E839Q381-R385 VanDerWaalsContact NE2-NH2 3.14Å; Q381-R385 WeakPolarHBondContact O-CG 3.37Å; Q381-R385 PolarHBondContact O-N 3.48Å; L382-R385 PolarHBondContact O-N 3.15Å; R385-H388 PolarHBondContact O-N 3.24Å; R385-S389 WeakPolarHBondContact O-CB 3.41Å; R385-S389 PolarHBondContact O-N 3.5Å; R385-D419 WeakPolarHBondContact CG-OD2 3.49Å; R385-D419 IonicContact CZ-OD2 3.82Å; R385-D419 IonicContact NE-OD2 3.6Å; R385-D419 PolarHBondContact NE-OD2 3.16Å; R385-D419 IonicContact NH2-OD1 2.68Å; R385-D419 IonicContact NH2-OD2 3.31Å; R385-E839 IonicContact CZ-OE1 3.19Å; R385-E839 IonicContact NH1-OE1 2.99Å; R385-E839 PolarHBondContact NH1-OE1 3.12Å; R385-E839 IonicContact NH2-OE1 3.3Å
386T87.2Confident83.4Confident6 Ų638.7 Ų38.74%0.03719%0.188CC..Hα-helixtrans-64.3-47.7176.3-56.80000111.1L341 L345 L360 L382 L383 V384 H388 S389 C390L341-T386 HydrophobicContact CD2-CG2 4.24Å; L345-T386 HydrophobicContact CD1-CG2 3.88Å; L345-T386 HydrophobicContact CD2-CG2 3.69Å; L345-T386 HydrophobicContact CG-CG2 3.7Å; L360-T386 HydrophobicContact CD1-CG2 3.67Å; L382-T386 WeakPolarHBondContact O-CB 3.49Å; L382-T386 PolarHBondContact O-N 3.36Å; L382-T386 PolarHBondContact O-OG1 3.19Å; L383-T386 WeakPolarHBondContact O-CB 3.03Å; L383-T386 PolarHBondContact O-N 2.89Å; V384-T386 VanDerWaalsContact C-N 3.27Å; V384-T386 PolarHBondContact O-N 3.28Å; T386-H388 PolarHBondContact O-N 3.12Å; T386-S389 PolarHBondContact O-N 3.4Å; T386-C390 PolarHBondContact O-N 2.74Å; T386-C390 PolarHBondContact O-SG 3.37Å; T386-C390 VanDerWaalsContact O-SG 3.39Å
387L86.9Confident83.6Confident3 Ų338.7 Ų38.72%0.01619%0.187CC..Hα-helixtrans-63.5-38.5176.7-80.2172.5000112.9V357 L360 V364 L383 V384 C390 S391 V401 L405V357-L387 HydrophobicContact CG1-CD2 4.39Å; L360-L387 HydrophobicContact CB-CD1 4.42Å; L360-L387 HydrophobicContact CB-CD2 3.66Å; L360-L387 HydrophobicContact CB-CG 4.01Å; L360-L387 HydrophobicContact CD1-CD2 3.84Å; L360-L387 HydrophobicContact CD1-CG 4.12Å; L360-L387 HydrophobicContact CG-CD2 4.43Å; V364-L387 HydrophobicContact CG2-CD1 3.86Å; L383-L387 PolarHBondContact O-N 3.21Å; V384-L387 PolarHBondContact O-N 3.01Å; L387-C390 PolarHBondContact O-N 3.07Å; L387-S391 WeakPolarHBondContact O-CB 3.45Å; L387-S391 PolarHBondContact O-N 3.34Å; L387-S391 PolarHBondContact O-OG 2.88Å; L387-V401 HydrophobicContact CB-CG1 4.23Å; L387-V401 HydrophobicContact CD2-CG1 4.41Å; L387-V401 HydrophobicContact CD2-CG2 4.4Å; L387-L405 HydrophobicContact CB-CD1 4.43Å; L387-L405 HydrophobicContact CD1-CD2 3.97Å
388H85.1Confident83.8Confident33 Ų3336.6 Ų36.615%0.15318%0.176CC..Hα-helixtrans-58.8-53.5173.1175.8-169.4000110.2V384 R385 T386 C390 S391 V392 F423 E426V384-H388 WeakPolarHBondContact O-CB 3.38Å; V384-H388 PolarHBondContact O-N 3.41Å; R385-H388 PolarHBondContact O-N 3.24Å; T386-H388 PolarHBondContact O-N 3.12Å; H388-C390 VanDerWaalsContact C-N 3.33Å; H388-C390 PolarHBondContact O-N 3.37Å; H388-S391 PolarHBondContact O-N 3.48Å; H388-S391 VanDerWaalsContact O-N 3.09Å; H388-V392 WeakPolarHBondContact CD2-CG2 3.26Å; H388-V392 WeakPolarHBondContact O-CG2 3.39Å; H388-V392 PolarHBondContact O-N 2.91Å; H388-F423 HydrophobicContact CB-CB 4.31Å; H388-F423 HydrophobicContact CB-CD2 4.28Å; H388-F423 HydrophobicContact CB-CG 4.41Å; H388-F423 AromaticContact CD2-CD2 3.27Å; H388-F423 WeakPolarHBondContact CD2-CD2 3.29Å; H388-F423 AromaticContact CD2-CG 3.96Å; H388-F423 AromaticContact CG-CD2 3.88Å; H388-F423 AromaticContact NE2-CD2 3.91Å; H388-E426 IonicContact CE1-OE2 2.67Å; H388-E426 IonicContact NE2-OE2 3.08Å; H388-E426 PolarHBondContact NE2-OE2 3.23Å
389S84Confident83.9Confident35 Ų3532.8 Ų32.825%0.24517%0.165CC..Hα-helixtrans-57.2-43.4177.9-173.80000112.4R385 T386 S391 V392 R393R385-S389 WeakPolarHBondContact O-CB 3.41Å; R385-S389 PolarHBondContact O-N 3.5Å; T386-S389 PolarHBondContact O-N 3.4Å; S389-S391 PolarHBondContact O-N 2.89Å; S389-V392 PolarHBondContact O-N 3.41Å; S389-R393 WeakPolarHBondContact O-CB 3.38Å; S389-R393 WeakPolarHBondContact O-CG 3.17Å; S389-R393 PolarHBondContact O-N 3.38Å
390C85.3Confident83.8Confident1 Ų136.9 Ų36.91%0.00719%0.188CC..Hα-helixtrans-59.8-44.9174.5-73.40000112.4L345 T386 L387 H388 V392 R393 F394L345-C390 WeakPolarHBondContact CD2-SG 3.5Å; T386-C390 PolarHBondContact O-N 2.74Å; T386-C390 PolarHBondContact O-SG 3.37Å; T386-C390 VanDerWaalsContact O-SG 3.39Å; L387-C390 PolarHBondContact O-N 3.07Å; H388-C390 VanDerWaalsContact C-N 3.33Å; H388-C390 PolarHBondContact O-N 3.37Å; C390-V392 VanDerWaalsContact C-N 3.34Å; C390-V392 PolarHBondContact O-N 3.18Å; C390-R393 PolarHBondContact O-N 2.87Å; C390-F394 WeakPolarHBondContact O-CD2 3.38Å; C390-F394 PolarHBondContact O-N 3.22Å
391S82.9Confident83.9Confident0 Ų036.5 Ų36.50%019%0.187CC..Hα-helixtrans-69.5-31.7-178.2-56.30000112.7L387 H388 S389 F394L387-S391 WeakPolarHBondContact O-CB 3.45Å; L387-S391 PolarHBondContact O-N 3.34Å; L387-S391 PolarHBondContact O-OG 2.88Å; H388-S391 PolarHBondContact O-N 3.48Å; H388-S391 VanDerWaalsContact O-N 3.09Å; S389-S391 PolarHBondContact O-N 2.89Å; S391-F394 CarbonylContact O-C 3.53Å
392V80.2Confident84Confident22 Ų2234.6 Ų34.613%0.13318%0.178CC..Hα-helixtrans-73.4-37.9175.9167.80000111.1H388 S389 C390 R430H388-V392 WeakPolarHBondContact CD2-CG2 3.26Å; H388-V392 WeakPolarHBondContact O-CG2 3.39Å; H388-V392 PolarHBondContact O-N 2.91Å; S389-V392 PolarHBondContact O-N 3.41Å; C390-V392 VanDerWaalsContact C-N 3.34Å; C390-V392 PolarHBondContact O-N 3.18Å; V392-R430 VanDerWaalsContact O-CZ 3.24Å; V392-R430 PolarHBondContact O-NH1 3.41Å; V392-R430 PolarHBondContact O-NH2 2.76Å
393R81.4Confident84.1Confident110 Ų11034.8 Ų34.842%0.41518%0.181SC..Hα-helixtrans-73.8-37175.7-70.6179.3-176.1-168.91112.2L345 S389 C390 P395L345-R393 PolarHBondContact O-NH1 3.49Å; S389-R393 WeakPolarHBondContact O-CB 3.38Å; S389-R393 WeakPolarHBondContact O-CG 3.17Å; S389-R393 PolarHBondContact O-N 3.38Å; C390-R393 PolarHBondContact O-N 2.87Å; R393-P395 WeakPolarHBondContact O-CD 3.25Å
394F84.1Confident83.9Confident44 Ų4435.2 Ų35.219%0.19318%0.183CC..  trans-125.588.1-175.9-57.3-81.2000111.7V348 V353 C390 S391 D396 M397V348-F394 HydrophobicContact CB-CE2 4.05Å; V348-F394 HydrophobicContact CG1-CD2 4.06Å; V348-F394 HydrophobicContact CG1-CE2 3.33Å; V348-F394 HydrophobicContact CG1-CZ 3.85Å; V353-F394 HydrophobicContact CB-CD2 4.24Å; V353-F394 HydrophobicContact CB-CG 4.31Å; V353-F394 HydrophobicContact CG1-CD1 4.43Å; V353-F394 HydrophobicContact CG1-CG 4.32Å; V353-F394 HydrophobicContact CG2-CB 4.04Å; V353-F394 HydrophobicContact CG2-CD2 3.61Å; V353-F394 HydrophobicContact CG2-CE2 4.25Å; V353-F394 HydrophobicContact CG2-CG 3.86Å; C390-F394 WeakPolarHBondContact O-CD2 3.38Å; C390-F394 PolarHBondContact O-N 3.22Å; S391-F394 CarbonylContact O-C 3.53Å; F394-D396 VanDerWaalsContact C-N 3.26Å; F394-D396 PolarHBondContact O-N 2.85Å; F394-M397 HydrophobicContact CB-CG 4.45Å; F394-M397 PolarHBondContact O-N 3.47Å
395P81.1Confident83.8Confident51 Ų5135.1 Ų35.133%0.33118%0.183SC..G310 helixtrans-50.8-37.4-179.8-35.241000115.9R393 M397 A398 F431R393-P395 WeakPolarHBondContact O-CD 3.25Å; P395-M397 PolarHBondContact O-N 2.85Å; P395-M397 VanDerWaalsContact O-N 3.15Å; P395-A398 VanDerWaalsContact O-CB 3.3Å; P395-A398 WeakPolarHBondContact O-CB 3.33Å; P395-A398 PolarHBondContact O-N 3.46Å; P395-F431 HydrophobicContact CB-CD1 4.3Å; P395-F431 HydrophobicContact CB-CE1 3.49Å; P395-F431 VanDerWaalsContact CB-CE1 3.49Å; P395-F431 HydrophobicContact CB-CZ 4.07Å; P395-F431 HydrophobicContact CG-CE1 3.86Å; P395-F431 HydrophobicContact CG-CZ 4.33Å
396D82Confident83.7Confident149 Ų14930.8 Ų30.880%0.79717%0.167SC*.G310 helixtrans-62.1-26.1-174.5-58.4-34000112.4F394F394-D396 VanDerWaalsContact C-N 3.26Å; F394-D396 PolarHBondContact O-N 2.85Å
397M82.5Confident83.4Confident15 Ų1536.5 Ų36.57%0.07419%0.193CC..G310 helixtrans-85.3-15.5-180-62.6-52.4-52.800113.7V353 E354 V357 F394 P395 A399 N400 V401V353-M397 HydrophobicContact CG1-CG 3.93Å; V353-M397 HydrophobicContact CG1-SD 4.4Å; V353-M397 HydrophobicContact CG2-CG 3.93Å; E354-M397 HydrophobicContact CB-CE 4.06Å; E354-M397 HydrophobicContact CB-SD 4.04Å; E354-M397 HydrophobicContact CG-CE 4Å; E354-M397 HydrophobicContact CG-SD 4.38Å; V357-M397 HydrophobicContact CB-CE 4.12Å; V357-M397 HydrophobicContact CG1-CE 4.17Å; V357-M397 HydrophobicContact CG2-CB 4.42Å; V357-M397 HydrophobicContact CG2-CE 4.41Å; F394-M397 HydrophobicContact CB-CG 4.45Å; F394-M397 PolarHBondContact O-N 3.47Å; P395-M397 PolarHBondContact O-N 2.85Å; P395-M397 VanDerWaalsContact O-N 3.15Å; M397-A399 PolarHBondContact O-N 3.33Å; M397-N400 PolarHBondContact O-N 3.4Å; M397-V401 WeakPolarHBondContact O-CG2 3.34Å; M397-V401 PolarHBondContact O-N 2.7Å
398A81.4Confident83Confident0 Ų036.8 Ų36.80%019%0.194CC..Hα-helixtrans-59.3-35-173.700000112.3P395 N400 V401 I402 F431 L434P395-A398 VanDerWaalsContact O-CB 3.3Å; P395-A398 WeakPolarHBondContact O-CB 3.33Å; P395-A398 PolarHBondContact O-N 3.46Å; A398-N400 PolarHBondContact O-N 3.5Å; A398-V401 PolarHBondContact O-N 2.93Å; A398-I402 HydrophobicContact CB-CD1 4.26Å; A398-I402 WeakPolarHBondContact O-CB 3.48Å; A398-I402 WeakPolarHBondContact O-CD1 3.31Å; A398-I402 WeakPolarHBondContact O-CG1 3.41Å; A398-I402 PolarHBondContact O-N 3.41Å; A398-F431 HydrophobicContact CB-CD2 4.04Å; A398-F431 HydrophobicContact CB-CE2 3.67Å; A398-F431 HydrophobicContact CB-CZ 4.2Å; A398-L434 HydrophobicContact CB-CD1 3.92Å
399A83.9Confident82.8Confident34 Ų3435.2 Ų35.228%0.28119%0.187SC..Hα-helixtrans-58.3-35.2177.700000113.1M397 P403 L434M397-A399 PolarHBondContact O-N 3.33Å; A399-P403 WeakPolarHBondContact O-CD 3.16Å; A399-L434 HydrophobicContact CB-CD1 4.29Å; A399-L434 HydrophobicContact CB-CD2 3.78Å
400N82.5Confident82.6Confident90 Ų9035.9 Ų35.948%0.48119%0.191SC..Hα-helixtrans-83.5-26.4-179.5-68.3-22.8000112.7M397 A398M397-N400 PolarHBondContact O-N 3.4Å; A398-N400 PolarHBondContact O-N 3.5Å
401V84.5Confident82.1Confident3 Ų337.1 Ų37.12%0.01820%0.198CC..Hα-helixtrans-85.9-41.9-176.1177.50000111.8V357 L387 M397 A398 V404 L405V357-V401 HydrophobicContact CG1-CG2 3.44Å; V357-V401 VanDerWaalsContact CG1-CG2 3.44Å; V357-V401 HydrophobicContact CG2-CG2 4.36Å; L387-V401 HydrophobicContact CB-CG1 4.23Å; L387-V401 HydrophobicContact CD2-CG1 4.41Å; L387-V401 HydrophobicContact CD2-CG2 4.4Å; M397-V401 WeakPolarHBondContact O-CG2 3.34Å; M397-V401 PolarHBondContact O-N 2.7Å; A398-V401 PolarHBondContact O-N 2.93Å; V401-V404 WeakPolarHBondContact O-CB 3.32Å; V401-V404 PolarHBondContact O-N 2.88Å; V401-V404 VanDerWaalsContact O-N 3.16Å; V401-L405 HydrophobicContact CG1-CD1 3.5Å; V401-L405 HydrophobicContact CG1-CG 3.79Å; V401-L405 PolarHBondContact O-N 3.02Å; V401-L405 VanDerWaalsContact O-N 3.08Å
402I86.2Confident81.4Confident1 Ų141.8 Ų41.81%0.00523%0.226CC..Hα-helixtrans-53.4-51-174.2-73.6161.5000112.7A398 V404 L405 M406 F423 A427 L434 I438A398-I402 HydrophobicContact CB-CD1 4.26Å; A398-I402 WeakPolarHBondContact O-CB 3.48Å; A398-I402 WeakPolarHBondContact O-CD1 3.31Å; A398-I402 WeakPolarHBondContact O-CG1 3.41Å; A398-I402 PolarHBondContact O-N 3.41Å; I402-V404 PolarHBondContact O-N 3.43Å; I402-L405 PolarHBondContact O-N 2.72Å; I402-M406 HydrophobicContact CG2-CE 4.06Å; I402-M406 HydrophobicContact CG2-CG 4.16Å; I402-M406 WeakPolarHBondContact O-CG 3.4Å; I402-M406 PolarHBondContact O-N 2.95Å; I402-F423 HydrophobicContact CG1-CE1 3.74Å; I402-F423 HydrophobicContact CG1-CZ 3.91Å; I402-A427 HydrophobicContact CD1-CB 4.29Å; I402-L434 HydrophobicContact CD1-CB 4.47Å; I402-L434 HydrophobicContact CD1-CD1 3.98Å; I402-I438 HydrophobicContact CD1-CD1 4.02Å; I402-I438 HydrophobicContact CD1-CG1 4.05Å; I402-I438 HydrophobicContact CG2-CG1 3.9Å
403P85.9Confident81.1Confident40 Ų4041.9 Ų41.926%0.2623%0.227SC..Hα-helixtrans-59.8-35.7-177.4-25.335.5000113.1A399 L437A399-P403 WeakPolarHBondContact O-CD 3.16Å; P403-L437 HydrophobicContact CG-CD2 4.47Å
404V83Confident81Confident8 Ų840.1 Ų40.15%0.04822%0.223CC..Hα-helixtrans-69.7-46.6179.7-177.30000110.6K361 V401 I402 M406 E407 F408K361-V404 HydrophobicContact CD-CG2 3.58Å; K361-V404 HydrophobicContact CG-CG1 4.09Å; K361-V404 HydrophobicContact CG-CG2 3.94Å; K361-V404 VanDerWaalsContact NZ-CG2 3.25Å; V401-V404 WeakPolarHBondContact O-CB 3.32Å; V401-V404 PolarHBondContact O-N 2.88Å; V401-V404 VanDerWaalsContact O-N 3.16Å; I402-V404 PolarHBondContact O-N 3.43Å; V404-M406 VanDerWaalsContact C-N 3.28Å; V404-M406 PolarHBondContact O-N 3.47Å; V404-E407 PolarHBondContact O-N 2.95Å; V404-F408 HydrophobicContact CG1-CE2 4.18Å; V404-F408 WeakPolarHBondContact O-CD2 3.37Å; V404-F408 VanDerWaalsContact O-CE2 3.31Å; V404-F408 WeakPolarHBondContact O-CE2 3.4Å
405L83.6Confident80.7Confident0 Ų040 Ų400%023%0.23CC..Hα-helixtrans-66-33.9-179.4-68.3-174.9000111.6V384 L387 V401 I402 E407 F408 V420 F423V384-L405 HydrophobicContact CG1-CD2 4.33Å; V384-L405 HydrophobicContact CG2-CD2 4.12Å; L387-L405 HydrophobicContact CB-CD1 4.43Å; L387-L405 HydrophobicContact CD1-CD2 3.97Å; V401-L405 HydrophobicContact CG1-CD1 3.5Å; V401-L405 HydrophobicContact CG1-CG 3.79Å; V401-L405 PolarHBondContact O-N 3.02Å; V401-L405 VanDerWaalsContact O-N 3.08Å; I402-L405 PolarHBondContact O-N 2.72Å; L405-E407 VanDerWaalsContact C-N 3.29Å; L405-E407 PolarHBondContact O-N 3.29Å; L405-F408 WeakPolarHBondContact O-CB 3.42Å; L405-F408 PolarHBondContact O-N 3Å; L405-V420 HydrophobicContact CB-CG1 4.04Å; L405-V420 HydrophobicContact CB-CG2 4.32Å; L405-V420 HydrophobicContact CD2-CG2 4.48Å; L405-V420 VanDerWaalsContact O-CG1 3.27Å; L405-V420 WeakPolarHBondContact O-CG1 3.42Å; L405-F423 HydrophobicContact CD1-CD1 3.52Å; L405-F423 HydrophobicContact CD1-CE1 3.6Å; L405-F423 HydrophobicContact CD1-CG 4.34Å; L405-F423 HydrophobicContact CD1-CZ 4.46Å
406M83.9Confident80.6Confident2 Ų237.6 Ų37.61%0.0121%0.214CC..Hα-helixtrans-59.5-34.5178.5-73.5-72.4-165.800113.7I402 V404 F408 L409 V424 I438 K441 M442I402-M406 HydrophobicContact CG2-CE 4.06Å; I402-M406 HydrophobicContact CG2-CG 4.16Å; I402-M406 WeakPolarHBondContact O-CG 3.4Å; I402-M406 PolarHBondContact O-N 2.95Å; V404-M406 VanDerWaalsContact C-N 3.28Å; V404-M406 PolarHBondContact O-N 3.47Å; M406-F408 PolarHBondContact O-N 3.21Å; M406-L409 WeakPolarHBondContact O-CB 3.33Å; M406-L409 PolarHBondContact O-N 3.01Å; M406-L409 VanDerWaalsContact O-N 3.1Å; M406-L409 HydrophobicContact SD-CD1 3.56Å; M406-L409 VanDerWaalsContact SD-CD1 3.56Å; M406-V424 HydrophobicContact CE-CB 4.2Å; M406-V424 HydrophobicContact CE-CG1 3.45Å; M406-V424 VanDerWaalsContact CE-CG1 3.45Å; M406-V424 HydrophobicContact CE-CG2 3.57Å; M406-V424 HydrophobicContact SD-CG1 4.4Å; M406-V424 HydrophobicContact SD-CG2 3.78Å; M406-I438 HydrophobicContact CE-CB 4.31Å; M406-I438 HydrophobicContact CE-CG1 4.5Å; M406-I438 HydrophobicContact CE-CG2 3.66Å; M406-K441 HydrophobicContact CG-CB 4.23Å; M406-M442 HydrophobicContact CE-CE 3.99Å; M406-M442 HydrophobicContact SD-CE 3.93Å
407E80.9Confident80.7Confident125 Ų12530.5 Ų30.558%0.58418%0.176SC*.Hα-helixtrans-59.5-32.6176.5-67.4178179.700111.6V404 L405 L409 S410V404-E407 PolarHBondContact O-N 2.95Å; L405-E407 VanDerWaalsContact C-N 3.29Å; L405-E407 PolarHBondContact O-N 3.29Å; E407-L409 VanDerWaalsContact C-N 3.25Å; E407-L409 PolarHBondContact O-N 3.5Å; E407-S410 PolarHBondContact O-N 2.97Å; E407-S410 PolarHBondContact O-OG 3.48Å
408F78.8Confident80.8Confident10 Ų1031.8 Ų31.84%0.04419%0.19CC..G310 helixtrans-74.7-8.2179.4-64.5-81.7000114.2V364 V404 L405 M406 S410 D411 A417 V420V364-F408 HydrophobicContact CB-CZ 4.47Å; V364-F408 HydrophobicContact CG1-CD2 4.21Å; V364-F408 HydrophobicContact CG1-CE1 3.95Å; V364-F408 HydrophobicContact CG1-CE2 3.21Å; V364-F408 HydrophobicContact CG1-CZ 3.06Å; V404-F408 HydrophobicContact CG1-CE2 4.18Å; V404-F408 WeakPolarHBondContact O-CD2 3.37Å; V404-F408 VanDerWaalsContact O-CE2 3.31Å; V404-F408 WeakPolarHBondContact O-CE2 3.4Å; L405-F408 WeakPolarHBondContact O-CB 3.42Å; L405-F408 PolarHBondContact O-N 3Å; M406-F408 PolarHBondContact O-N 3.21Å; F408-S410 PolarHBondContact O-N 3.37Å; F408-D411 VanDerWaalsContact O-CB 3.26Å; F408-D411 WeakPolarHBondContact O-CB 3.44Å; F408-D411 PolarHBondContact O-N 3.2Å; F408-A417 WeakPolarHBondContact O-CB 3.26Å; F408-V420 HydrophobicContact CB-CG2 4.18Å
409L81.1Confident80.8Confident0 Ų033 Ų330%020%0.196CC..G310 helixtrans-66.2-20.5171-67.7175.1000112.5M406 E407 V420 L421 M442 V445 I454M406-L409 WeakPolarHBondContact O-CB 3.33Å; M406-L409 PolarHBondContact O-N 3.01Å; M406-L409 VanDerWaalsContact O-N 3.1Å; M406-L409 HydrophobicContact SD-CD1 3.56Å; M406-L409 VanDerWaalsContact SD-CD1 3.56Å; E407-L409 VanDerWaalsContact C-N 3.25Å; E407-L409 PolarHBondContact O-N 3.5Å; L409-V420 HydrophobicContact CD2-CB 3.99Å; L409-V420 HydrophobicContact CD2-CG1 3.61Å; L409-V420 HydrophobicContact CG-CG1 3.83Å; L409-L421 HydrophobicContact CD2-CB 4.09Å; L409-M442 HydrophobicContact CD1-CE 3.88Å; L409-M442 HydrophobicContact CD1-SD 3.9Å; L409-V445 HydrophobicContact CB-CG1 4.13Å; L409-I454 HydrophobicContact CB-CG2 4.42Å; L409-I454 HydrophobicContact CD2-CG2 3.94Å
410S79Confident81Confident48 Ų4831.3 Ų31.334%0.33618%0.182SC..G310 helixtrans-90.3-317769.20000114.1E407 F408E407-S410 PolarHBondContact O-N 2.97Å; E407-S410 PolarHBondContact O-OG 3.48Å; F408-S410 PolarHBondContact O-N 3.37Å
411D74.3Confident81.1Confident27 Ų2728.2 Ų28.214%0.14417%0.165CC..SBendtrans-69.1154.2-176.9-161.60.9000111.9R380 F408 N413R380-D411 WeakPolarHBondContact CD-OD2 3.34Å; R380-D411 IonicContact CZ-OD2 3.55Å; R380-D411 IonicContact NE-OD2 3.96Å; R380-D411 IonicContact NH1-OD1 3.16Å; R380-D411 IonicContact NH1-OD2 3.96Å; R380-D411 PolarHBondContact NH1-OD2 2.83Å; F408-D411 VanDerWaalsContact O-CB 3.26Å; F408-D411 WeakPolarHBondContact O-CB 3.44Å; F408-D411 PolarHBondContact O-N 3.2Å; D411-N413 VanDerWaalsContact C-N 3.29Å
412T68.8Low81.1Confident98 Ų9830.8 Ų30.860%0.60118%0.177SC*.SBendtrans-70.7-27.2177.5510000112E414T412-E414 PolarHBondContact O-N 2.76Å; T412-E414 VanDerWaalsContact O-N 3.16Å
413N75.1Confident81.1Confident25 Ų2530.8 Ų30.813%0.13418%0.177CC..  trans-74.4103.8179-175.6-10.3000111.9D377 D411 A415 A416 A417D377-N413 WeakPolarHBondContact CB-ND2 3.43Å; D411-N413 VanDerWaalsContact C-N 3.29Å; N413-A415 VanDerWaalsContact C-N 3.3Å; N413-A415 PolarHBondContact O-N 3.2Å; N413-A415 PolarHBondContact OD1-N 3.29Å; N413-A416 HydrophobicContact CB-CB 4.41Å; N413-A416 PolarHBondContact OD1-N 3.28Å; N413-A417 PolarHBondContact O-N 3.32Å
414E79.3Confident81.2Confident73 Ų7329 Ų2934%0.34117%0.165SC..Hα-helixtrans-59.6-36.1179.9-178.3173.6-152.400113.2T412 A418 T451 K453T412-E414 PolarHBondContact O-N 2.76Å; T412-E414 VanDerWaalsContact O-N 3.16Å; E414-A418 VanDerWaalsContact O-CB 3.23Å; E414-A418 WeakPolarHBondContact O-CB 3.24Å; E414-A418 PolarHBondContact O-N 2.93Å; E414-T451 HydrophobicContact CB-CG2 4.26Å; E414-T451 HydrophobicContact CG-CG2 3.89Å; E414-K453 WeakPolarHBondContact OE1-CD 3.4Å; E414-K453 VanDerWaalsContact OE1-CE 3.23Å; E414-K453 WeakPolarHBondContact OE1-CE 3.41Å; E414-K453 VanDerWaalsContact OE1-CG 3.25Å; E414-K453 WeakPolarHBondContact OE1-CG 3.49Å; E414-K453 IonicContact OE1-NZ 2.78Å; E414-K453 PolarHBondContact OE1-NZ 3.31Å; E414-K453 IonicContact OE2-NZ 3.92Å; E414-K453 PolarHBondContact OE2-NZ 3Å; E414-K453 VanDerWaalsContact OE2-NZ 3.12Å
415A77.6Confident81.3Confident41 Ų4132 Ų3234%0.33918%0.176SC..Hα-helixtrans-72.1-45.2-174.600000112.3N413 A418 D419N413-A415 VanDerWaalsContact C-N 3.3Å; N413-A415 PolarHBondContact O-N 3.2Å; N413-A415 PolarHBondContact OD1-N 3.29Å; A415-A418 PolarHBondContact O-N 3.08Å; A415-D419 PolarHBondContact O-N 2.91Å; A415-D419 VanDerWaalsContact O-N 3.12Å
416A79.1Confident81.2Confident0 Ų033 Ų330%018%0.181CC..Hα-helixtrans-64.6-43.2177.200000111.3Q381 N413 A418 D419 V420Q381-A416 HydrophobicContact CB-CB 4.43Å; N413-A416 HydrophobicContact CB-CB 4.41Å; N413-A416 PolarHBondContact OD1-N 3.28Å; A416-A418 VanDerWaalsContact C-N 3.34Å; A416-A418 PolarHBondContact O-N 3.07Å; A416-D419 PolarHBondContact O-N 3.05Å; A416-V420 WeakPolarHBondContact O-CG2 3.43Å; A416-V420 PolarHBondContact O-N 2.8Å
417A83.4Confident81.3Confident0 Ų033 Ų330%018%0.181CC..Hα-helixtrans-70.4-29.217900000112.9F408 N413 L421 I454F408-A417 WeakPolarHBondContact O-CB 3.26Å; N413-A417 PolarHBondContact O-N 3.32Å; A417-L421 WeakPolarHBondContact O-CB 3.44Å; A417-L421 PolarHBondContact O-N 2.83Å; A417-I454 HydrophobicContact CB-CD1 3.25Å; A417-I454 HydrophobicContact CB-CG1 4.14Å
418A83.9Confident81.5Confident43 Ų4327 Ų2736%0.35515%0.153SC..Hα-helixtrans-65.2-43.2169.600000112.4E414 A415 A416 V420 L421 E422E414-A418 VanDerWaalsContact O-CB 3.23Å; E414-A418 WeakPolarHBondContact O-CB 3.24Å; E414-A418 PolarHBondContact O-N 2.93Å; A415-A418 PolarHBondContact O-N 3.08Å; A416-A418 VanDerWaalsContact C-N 3.34Å; A416-A418 PolarHBondContact O-N 3.07Å; A418-V420 VanDerWaalsContact C-N 3.35Å; A418-L421 PolarHBondContact O-N 2.86Å; A418-E422 PolarHBondContact O-N 2.81Å
419D82.5Confident81.6Confident24 Ų2428.5 Ų28.513%0.12816%0.16CC..Hα-helixtrans-63.3-40.6176-72.9-16.3000110.9Q381 V384 R385 A415 A416 E422 F423Q381-D419 VanDerWaalsContact CG-OD2 3.25Å; Q381-D419 WeakPolarHBondContact CG-OD2 3.01Å; Q381-D419 PolarHBondContact NE2-OD2 3.13Å; V384-D419 HydrophobicContact CG1-CB 4.19Å; R385-D419 WeakPolarHBondContact CG-OD2 3.49Å; R385-D419 IonicContact CZ-OD2 3.82Å; R385-D419 IonicContact NE-OD2 3.6Å; R385-D419 PolarHBondContact NE-OD2 3.16Å; R385-D419 IonicContact NH2-OD1 2.68Å; R385-D419 IonicContact NH2-OD2 3.31Å; A415-D419 PolarHBondContact O-N 2.91Å; A415-D419 VanDerWaalsContact O-N 3.12Å; A416-D419 PolarHBondContact O-N 3.05Å; D419-E422 PolarHBondContact O-N 3.44Å; D419-F423 PolarHBondContact O-N 2.81Å
420V86.6Confident81.5Confident0 Ų032.9 Ų32.90%018%0.177CC..Hα-helixtrans-60.2-47.1172.3172.80000111.4V384 L405 F408 L409 A416 A418 E422 F423 V424V384-V420 HydrophobicContact CG1-CG2 3.6Å; V384-V420 HydrophobicContact CG2-CG2 4.32Å; L405-V420 HydrophobicContact CB-CG1 4.04Å; L405-V420 HydrophobicContact CB-CG2 4.32Å; L405-V420 HydrophobicContact CD2-CG2 4.48Å; L405-V420 VanDerWaalsContact O-CG1 3.27Å; L405-V420 WeakPolarHBondContact O-CG1 3.42Å; F408-V420 HydrophobicContact CB-CG2 4.18Å; L409-V420 HydrophobicContact CD2-CB 3.99Å; L409-V420 HydrophobicContact CD2-CG1 3.61Å; L409-V420 HydrophobicContact CG-CG1 3.83Å; A416-V420 WeakPolarHBondContact O-CG2 3.43Å; A416-V420 PolarHBondContact O-N 2.8Å; A418-V420 VanDerWaalsContact C-N 3.35Å; V420-E422 VanDerWaalsContact C-N 3.29Å; V420-E422 PolarHBondContact O-N 3.25Å; V420-F423 WeakPolarHBondContact O-CB 3.43Å; V420-F423 PolarHBondContact O-N 2.78Å; V420-V424 HydrophobicContact CG1-CG2 4.2Å; V420-V424 WeakPolarHBondContact O-CG2 3.38Å; V420-V424 PolarHBondContact O-N 3.14Å
421L86.6Confident81.7Confident24 Ų2431.6 Ų31.613%0.12617%0.165CC..Hα-helixtrans-61.4-39.8-179.7177.269.1000111.5L409 A417 A418 V424 R425 I461L409-L421 HydrophobicContact CD2-CB 4.09Å; A417-L421 WeakPolarHBondContact O-CB 3.44Å; A417-L421 PolarHBondContact O-N 2.83Å; A418-L421 PolarHBondContact O-N 2.86Å; L421-V424 PolarHBondContact O-N 2.99Å; L421-R425 WeakPolarHBondContact O-CB 3.33Å; L421-R425 PolarHBondContact O-N 2.7Å; L421-I461 HydrophobicContact CD1-CD1 3.61Å
422E84.1Confident82Confident57 Ų5735 Ų3527%0.26618%0.183SC..Hα-helixtrans-61.9-44.6174.4-177167.2-172.300111.5A418 D419 V420 R425 E426 R646A418-E422 PolarHBondContact O-N 2.81Å; D419-E422 PolarHBondContact O-N 3.44Å; V420-E422 VanDerWaalsContact C-N 3.29Å; V420-E422 PolarHBondContact O-N 3.25Å; E422-R425 PolarHBondContact O-N 3Å; E422-R425 IonicContact OE1-NH2 2.68Å; E422-E426 PolarHBondContact O-N 3.25Å; E422-R646 IonicContact OE1-CZ 3.75Å; E422-R646 IonicContact OE1-NH1 3.84Å; E422-R646 PolarHBondContact OE1-NH1 3.42Å; E422-R646 IonicContact OE1-NH2 2.91Å; E422-R646 PolarHBondContact OE1-NH2 3.42Å
423F85.4Confident82.8Confident2 Ų235.3 Ų35.31%0.00919%0.189CC..Hα-helixtrans-58.7-48.5173.8166.9-114.3000112.1H388 I402 L405 D419 V420 R425 E426 A427H388-F423 HydrophobicContact CB-CB 4.31Å; H388-F423 HydrophobicContact CB-CD2 4.28Å; H388-F423 HydrophobicContact CB-CG 4.41Å; H388-F423 AromaticContact CD2-CD2 3.27Å; H388-F423 WeakPolarHBondContact CD2-CD2 3.29Å; H388-F423 AromaticContact CD2-CG 3.96Å; H388-F423 AromaticContact CG-CD2 3.88Å; H388-F423 AromaticContact NE2-CD2 3.91Å; I402-F423 HydrophobicContact CG1-CE1 3.74Å; I402-F423 HydrophobicContact CG1-CZ 3.91Å; L405-F423 HydrophobicContact CD1-CD1 3.52Å; L405-F423 HydrophobicContact CD1-CE1 3.6Å; L405-F423 HydrophobicContact CD1-CG 4.34Å; L405-F423 HydrophobicContact CD1-CZ 4.46Å; D419-F423 PolarHBondContact O-N 2.81Å; V420-F423 WeakPolarHBondContact O-CB 3.43Å; V420-F423 PolarHBondContact O-N 2.78Å; F423-R425 VanDerWaalsContact C-N 3.29Å; F423-R425 PolarHBondContact O-N 2.88Å; F423-E426 PolarHBondContact O-N 2.9Å; F423-E426 VanDerWaalsContact O-N 3.12Å; F423-A427 HydrophobicContact CE2-CB 4.2Å; F423-A427 HydrophobicContact CZ-CB 4.26Å; F423-A427 VanDerWaalsContact O-CB 3.31Å; F423-A427 WeakPolarHBondContact O-CB 3.19Å; F423-A427 PolarHBondContact O-N 3.2Å
424V87.4Confident83.3Confident1 Ų135.5 Ų35.51%0.00619%0.19CC..Hα-helixtrans-61.4-40.7-179.7174.90000111M406 V420 L421 E426 A427 I428 I438 M442 I461M406-V424 HydrophobicContact CE-CB 4.2Å; M406-V424 HydrophobicContact CE-CG1 3.45Å; M406-V424 VanDerWaalsContact CE-CG1 3.45Å; M406-V424 HydrophobicContact CE-CG2 3.57Å; M406-V424 HydrophobicContact SD-CG1 4.4Å; M406-V424 HydrophobicContact SD-CG2 3.78Å; V420-V424 HydrophobicContact CG1-CG2 4.2Å; V420-V424 WeakPolarHBondContact O-CG2 3.38Å; V420-V424 PolarHBondContact O-N 3.14Å; L421-V424 PolarHBondContact O-N 2.99Å; V424-E426 VanDerWaalsContact C-N 3.3Å; V424-E426 PolarHBondContact O-N 2.68Å; V424-A427 PolarHBondContact O-N 3.06Å; V424-I428 WeakPolarHBondContact O-CB 3.48Å; V424-I428 WeakPolarHBondContact O-CG2 3.37Å; V424-I428 PolarHBondContact O-N 3.2Å; V424-I438 HydrophobicContact CG1-CG2 3.73Å; V424-M442 HydrophobicContact CG1-CE 3.76Å; V424-I461 HydrophobicContact CB-CD1 4.48Å; V424-I461 HydrophobicContact CG1-CD1 4Å
425R85.3Confident83.6Confident71 Ų7134.7 Ų34.727%0.26818%0.184SC..Hα-helixtrans-61.9-37.5176.1-178.9-178.164.7157.7-1.7112.2L421 E422 F423 I428 W460 I461 L639L421-R425 WeakPolarHBondContact O-CB 3.33Å; L421-R425 PolarHBondContact O-N 2.7Å; E422-R425 PolarHBondContact O-N 3Å; E422-R425 IonicContact OE1-NH2 2.68Å; F423-R425 VanDerWaalsContact C-N 3.29Å; F423-R425 PolarHBondContact O-N 2.88Å; R425-I428 WeakPolarHBondContact O-CG2 3.31Å; R425-W460 HydrophobicContact CG-CZ3 3.95Å; R425-I461 HydrophobicContact CB-CD1 4.35Å; R425-L639 HydrophobicContact CG-CD1 4.3Å; R425-L639 HydrophobicContact CG-CD2 4.24Å
426E83.2Confident84.1Confident22 Ų2236.8 Ų36.810%0.10319%0.194CC..Hα-helixtrans-72.3-46.6174.4-168.6-172.6162.600111.3H388 E422 F423 V424 I428 Q429 R430 L643H388-E426 IonicContact CE1-OE2 2.67Å; H388-E426 IonicContact NE2-OE2 3.08Å; H388-E426 PolarHBondContact NE2-OE2 3.23Å; E422-E426 PolarHBondContact O-N 3.25Å; F423-E426 PolarHBondContact O-N 2.9Å; F423-E426 VanDerWaalsContact O-N 3.12Å; V424-E426 VanDerWaalsContact C-N 3.3Å; V424-E426 PolarHBondContact O-N 2.68Å; E426-I428 PolarHBondContact O-N 3.32Å; E426-Q429 PolarHBondContact O-N 3.08Å; E426-R430 WeakPolarHBondContact O-CB 3.15Å; E426-R430 PolarHBondContact O-N 2.88Å; E426-R430 IonicContact OE1-NH1 2.68Å; E426-L643 HydrophobicContact CG-CD2 4.34Å
427A84.4Confident84.5Confident2 Ų239.1 Ų39.12%0.01721%0.207CC..Hα-helixtrans-60.2-43.4-177.300000112.3I402 F423 V424 Q429 R430 F431 I438I402-A427 HydrophobicContact CD1-CB 4.29Å; F423-A427 HydrophobicContact CE2-CB 4.2Å; F423-A427 HydrophobicContact CZ-CB 4.26Å; F423-A427 VanDerWaalsContact O-CB 3.31Å; F423-A427 WeakPolarHBondContact O-CB 3.19Å; F423-A427 PolarHBondContact O-N 3.2Å; V424-A427 PolarHBondContact O-N 3.06Å; A427-Q429 VanDerWaalsContact C-N 3.28Å; A427-Q429 PolarHBondContact O-N 3.41Å; A427-R430 PolarHBondContact O-N 2.89Å; A427-F431 HydrophobicContact CB-CD2 3.95Å; A427-F431 HydrophobicContact CB-CE2 4.21Å; A427-F431 WeakPolarHBondContact O-CB 3.47Å; A427-F431 WeakPolarHBondContact O-CD2 3.2Å; A427-F431 PolarHBondContact O-N 3.02Å; A427-I438 HydrophobicContact CB-CD1 4.22Å
428I84.9Confident84.7Confident0 Ų039.1 Ų39.10%021%0.207CC..Hα-helixtrans-67-29.3-179.3-159170.6000112.7V424 R425 E426 R435 I438 I439 I461 Y465V424-I428 WeakPolarHBondContact O-CB 3.48Å; V424-I428 WeakPolarHBondContact O-CG2 3.37Å; V424-I428 PolarHBondContact O-N 3.2Å; R425-I428 WeakPolarHBondContact O-CG2 3.31Å; E426-I428 PolarHBondContact O-N 3.32Å; I428-R435 HydrophobicContact CG1-CB 4.37Å; I428-R435 HydrophobicContact CG1-CG 3.84Å; I428-R435 WeakPolarHBondContact O-CG 3.44Å; I428-R435 PolarHBondContact O-NE 2.97Å; I428-I438 HydrophobicContact CB-CD1 3.95Å; I428-I438 HydrophobicContact CB-CG2 4.32Å; I428-I438 HydrophobicContact CD1-CB 4.49Å; I428-I438 HydrophobicContact CD1-CG2 3.81Å; I428-I438 HydrophobicContact CG1-CD1 4.22Å; I428-I438 HydrophobicContact CG1-CG2 4.19Å; I428-I439 HydrophobicContact CD1-CG1 4.32Å; I428-I461 HydrophobicContact CD1-CG2 3.7Å; I428-Y465 HydrophobicContact CD1-CD1 4.12Å; I428-Y465 HydrophobicContact CD1-CD2 3.66Å; I428-Y465 HydrophobicContact CD1-CE2 4.39Å; I428-Y465 HydrophobicContact CD1-CG 3.49Å; I428-Y465 VanDerWaalsContact CD1-CG 3.49Å; I428-Y465 HydrophobicContact CG1-CD1 4.04Å; I428-Y465 HydrophobicContact CG1-CD2 4.21Å; I428-Y465 HydrophobicContact CG1-CE1 4.41Å; I428-Y465 HydrophobicContact CG1-CG 3.93Å; I428-Y465 HydrophobicContact CG2-CD2 3.91Å; I428-Y465 HydrophobicContact CG2-CE1 4.2Å; I428-Y465 HydrophobicContact CG2-CE2 3.53Å; I428-Y465 HydrophobicContact CG2-CG 4.39Å
429Q81.4Confident85Confident41 Ų4137.5 Ų37.519%0.19219%0.192CC..Hα-helixtrans-82.4-33.4177.3-177.155.164.100111.8E426 A427 Y465 L639 L643E426-Q429 PolarHBondContact O-N 3.08Å; A427-Q429 VanDerWaalsContact C-N 3.28Å; A427-Q429 PolarHBondContact O-N 3.41Å; Q429-Y465 PolarHBondContact OE1-OH 3.37Å; Q429-L639 HydrophobicContact CB-CD2 4.34Å; Q429-L639 HydrophobicContact CG-CD2 4.49Å; Q429-L643 HydrophobicContact CB-CD1 3.83Å; Q429-L643 HydrophobicContact CG-CD1 3.82Å
430R79.3Confident85.3Confident92 Ų9241.5 Ų41.535%0.34721%0.209SC..Hα-helixtrans-85.9-34.5-175.9-170.5171.4176.9179.6-10.4113.5V392 E426 A427V392-R430 VanDerWaalsContact O-CZ 3.24Å; V392-R430 PolarHBondContact O-NH1 3.41Å; V392-R430 PolarHBondContact O-NH2 2.76Å; E426-R430 WeakPolarHBondContact O-CB 3.15Å; E426-R430 PolarHBondContact O-N 2.88Å; E426-R430 IonicContact OE1-NH1 2.68Å; A427-R430 PolarHBondContact O-N 2.89Å
431F82.7Confident85.4Confident20 Ų2044 Ų449%0.08822%0.221CC..  trans-113.984.2-173.7-50.7-53.4000111.4P395 A398 A427 S433 L434 R435P395-F431 HydrophobicContact CB-CD1 4.3Å; P395-F431 HydrophobicContact CB-CE1 3.49Å; P395-F431 VanDerWaalsContact CB-CE1 3.49Å; P395-F431 HydrophobicContact CB-CZ 4.07Å; P395-F431 HydrophobicContact CG-CE1 3.86Å; P395-F431 HydrophobicContact CG-CZ 4.33Å; A398-F431 HydrophobicContact CB-CD2 4.04Å; A398-F431 HydrophobicContact CB-CE2 3.67Å; A398-F431 HydrophobicContact CB-CZ 4.2Å; A427-F431 HydrophobicContact CB-CD2 3.95Å; A427-F431 HydrophobicContact CB-CE2 4.21Å; A427-F431 WeakPolarHBondContact O-CB 3.47Å; A427-F431 WeakPolarHBondContact O-CD2 3.2Å; A427-F431 PolarHBondContact O-N 3.02Å; F431-S433 PolarHBondContact O-N 3.11Å; F431-L434 HydrophobicContact CB-CB 4.02Å; F431-L434 HydrophobicContact CB-CD1 3.92Å; F431-L434 HydrophobicContact CB-CG 4.09Å; F431-L434 HydrophobicContact CD2-CD1 4.23Å; F431-L434 HydrophobicContact CG-CD1 4.17Å; F431-L434 PolarHBondContact O-N 2.66Å; F431-L434 VanDerWaalsContact O-N 3.08Å; F431-R435 PolarHBondContact O-N 2.79Å
432D81.8Confident85.4Confident98 Ų9842.9 Ų42.952%0.52422%0.215SC..G310 helixtrans-56.3-36.2-179.8-76.531.9000113.2L434 R435D432-L434 VanDerWaalsContact C-N 3.34Å; D432-L434 PolarHBondContact O-N 2.9Å; D432-R435 VanDerWaalsContact CG-NH2 3.29Å; D432-R435 WeakPolarHBondContact O-CG 3.05Å; D432-R435 IonicContact OD1-CZ 3.45Å; D432-R435 IonicContact OD1-NE 3.12Å; D432-R435 IonicContact OD1-NH1 2.86Å; D432-R435 PolarHBondContact OD1-NH1 2.83Å; D432-R435 IonicContact OD1-NH2 3.45Å; D432-R435 PolarHBondContact OD1-NH2 2.88Å; D432-R435 IonicContact OD2-CZ 2.71Å; D432-R435 IonicContact OD2-NH1 2.65Å; D432-R435 PolarHBondContact OD2-NH1 3.12Å; D432-R435 IonicContact OD2-NH2 3.08Å; D432-R435 PolarHBondContact OD2-NH2 2.93Å
433S85.1Confident85.6Confident105 Ų10541.1 Ų41.173%0.73421%0.207SC*.G310 helixtrans-68.7-28.2178.853.30000113.8F431F431-S433 PolarHBondContact O-N 3.11Å
434L84.8Confident85.7Confident29 Ų2945.4 Ų45.415%0.15223%0.227CC..G310 helixtrans-93.3-4.2-177.2-60.1178000112.9A398 A399 I402 F431 D432 L437 I438A398-L434 HydrophobicContact CB-CD1 3.92Å; A399-L434 HydrophobicContact CB-CD1 4.29Å; A399-L434 HydrophobicContact CB-CD2 3.78Å; I402-L434 HydrophobicContact CD1-CB 4.47Å; I402-L434 HydrophobicContact CD1-CD1 3.98Å; F431-L434 HydrophobicContact CB-CB 4.02Å; F431-L434 HydrophobicContact CB-CD1 3.92Å; F431-L434 HydrophobicContact CB-CG 4.09Å; F431-L434 HydrophobicContact CD2-CD1 4.23Å; F431-L434 HydrophobicContact CG-CD1 4.17Å; F431-L434 PolarHBondContact O-N 2.66Å; F431-L434 VanDerWaalsContact O-N 3.08Å; D432-L434 VanDerWaalsContact C-N 3.34Å; D432-L434 PolarHBondContact O-N 2.9Å; L434-L437 WeakPolarHBondContact O-CB 3.21Å; L434-L437 PolarHBondContact O-N 3.45Å; L434-I438 HydrophobicContact CB-CD1 4.41Å; L434-I438 WeakPolarHBondContact O-CG1 3.49Å; L434-I438 PolarHBondContact O-N 3.28Å
435R86.6Confident85.7Confident57 Ų5746.3 Ų46.322%0.21523%0.232CC..Hα-helixtrans-54.1-45.7178.9-67.2-177.2173.7139.87.4113.9I428 F431 D432 L437 I438 I439I428-R435 HydrophobicContact CG1-CB 4.37Å; I428-R435 HydrophobicContact CG1-CG 3.84Å; I428-R435 WeakPolarHBondContact O-CG 3.44Å; I428-R435 PolarHBondContact O-NE 2.97Å; F431-R435 PolarHBondContact O-N 2.79Å; D432-R435 VanDerWaalsContact CG-NH2 3.29Å; D432-R435 WeakPolarHBondContact O-CG 3.05Å; D432-R435 IonicContact OD1-CZ 3.45Å; D432-R435 IonicContact OD1-NE 3.12Å; D432-R435 IonicContact OD1-NH1 2.86Å; D432-R435 PolarHBondContact OD1-NH1 2.83Å; D432-R435 IonicContact OD1-NH2 3.45Å; D432-R435 PolarHBondContact OD1-NH2 2.88Å; D432-R435 IonicContact OD2-CZ 2.71Å; D432-R435 IonicContact OD2-NH1 2.65Å; D432-R435 PolarHBondContact OD2-NH1 3.12Å; D432-R435 IonicContact OD2-NH2 3.08Å; D432-R435 PolarHBondContact OD2-NH2 2.93Å; R435-L437 VanDerWaalsContact C-N 3.35Å; R435-L437 PolarHBondContact O-N 3.35Å; R435-I438 PolarHBondContact O-N 2.98Å; R435-I439 VanDerWaalsContact O-CG1 3.31Å; R435-I439 WeakPolarHBondContact O-CG1 3.44Å; R435-I439 PolarHBondContact O-N 2.99Å
436P88.1Confident85.7Confident84 Ų8443 Ų4355%0.54522%0.22SC..Hα-helixtrans-61.2-44.1180-22.535.1000112I438 I439 E440P436-I438 VanDerWaalsContact C-N 3.35Å; P436-I438 PolarHBondContact O-N 3.25Å; P436-I439 PolarHBondContact O-N 3.4Å; P436-E440 WeakPolarHBondContact O-CB 3.46Å; P436-E440 PolarHBondContact O-N 3.38Å
437L87.4Confident85.7Confident50 Ų5046 Ų4626%0.26223%0.234SC..Hα-helixtrans-60.3-43.7177.2179.168.8000111.9P403 L434 R435 K441P403-L437 HydrophobicContact CG-CD2 4.47Å; L434-L437 WeakPolarHBondContact O-CB 3.21Å; L434-L437 PolarHBondContact O-N 3.45Å; R435-L437 VanDerWaalsContact C-N 3.35Å; R435-L437 PolarHBondContact O-N 3.35Å; L437-K441 HydrophobicContact CD1-CG 4.41Å; L437-K441 WeakPolarHBondContact O-CB 3.32Å; L437-K441 WeakPolarHBondContact O-CG 3.27Å; L437-K441 PolarHBondContact O-N 3.13Å
438I87.6Confident85.7Confident0 Ų047.6 Ų47.60%025%0.247CC..Hα-helixtrans-62.3-44.2178-69.9167.4000110.8I402 M406 V424 A427 I428 L434 R435 P436 M442I402-I438 HydrophobicContact CD1-CD1 4.02Å; I402-I438 HydrophobicContact CD1-CG1 4.05Å; I402-I438 HydrophobicContact CG2-CG1 3.9Å; M406-I438 HydrophobicContact CE-CB 4.31Å; M406-I438 HydrophobicContact CE-CG1 4.5Å; M406-I438 HydrophobicContact CE-CG2 3.66Å; V424-I438 HydrophobicContact CG1-CG2 3.73Å; A427-I438 HydrophobicContact CB-CD1 4.22Å; I428-I438 HydrophobicContact CB-CD1 3.95Å; I428-I438 HydrophobicContact CB-CG2 4.32Å; I428-I438 HydrophobicContact CD1-CB 4.49Å; I428-I438 HydrophobicContact CD1-CG2 3.81Å; I428-I438 HydrophobicContact CG1-CD1 4.22Å; I428-I438 HydrophobicContact CG1-CG2 4.19Å; L434-I438 HydrophobicContact CB-CD1 4.41Å; L434-I438 WeakPolarHBondContact O-CG1 3.49Å; L434-I438 PolarHBondContact O-N 3.28Å; R435-I438 PolarHBondContact O-N 2.98Å; P436-I438 VanDerWaalsContact C-N 3.35Å; P436-I438 PolarHBondContact O-N 3.25Å; I438-M442 WeakPolarHBondContact O-CB 3.37Å; I438-M442 PolarHBondContact O-N 3.29Å
439I89.3Confident85.7Confident8 Ų847.6 Ų47.64%0.04125%0.247CC..Hα-helixtrans-67.2-46.2-179-67.8166.6000110.6I428 R435 P436 K441 M442 L443 L462 D471I428-I439 HydrophobicContact CD1-CG1 4.32Å; R435-I439 VanDerWaalsContact O-CG1 3.31Å; R435-I439 WeakPolarHBondContact O-CG1 3.44Å; R435-I439 PolarHBondContact O-N 2.99Å; P436-I439 PolarHBondContact O-N 3.4Å; I439-K441 PolarHBondContact O-N 3.47Å; I439-M442 PolarHBondContact O-N 3.19Å; I439-L443 HydrophobicContact CG2-CD1 4.08Å; I439-L443 WeakPolarHBondContact O-CG 3.23Å; I439-L443 PolarHBondContact O-N 3.34Å; I439-L462 HydrophobicContact CG2-CD2 4.38Å; I439-D471 HydrophobicContact CG2-CB 4.38Å
440E89.1Confident85.6Confident108 Ų10853.2 Ų53.251%0.50527%0.271SS..Hα-helixtrans-56.1-50.7176.7-175.8-176.9174.200111.1P436 M442 L443 E444P436-E440 WeakPolarHBondContact O-CB 3.46Å; P436-E440 PolarHBondContact O-N 3.38Å; E440-M442 PolarHBondContact O-N 2.76Å; E440-L443 PolarHBondContact O-N 3.06Å; E440-E444 PolarHBondContact O-N 3.46Å; E440-E444 VanDerWaalsContact O-N 3.09Å
441K88.2Confident85.9Confident54 Ų5450.1 Ų50.124%0.23526%0.262CS..Hα-helixtrans-68-34.9178.3-66.9-48.6-174.2-168.50113.8M406 L437 I439 L443 E444 V445M406-K441 HydrophobicContact CG-CB 4.23Å; L437-K441 HydrophobicContact CD1-CG 4.41Å; L437-K441 WeakPolarHBondContact O-CB 3.32Å; L437-K441 WeakPolarHBondContact O-CG 3.27Å; L437-K441 PolarHBondContact O-N 3.13Å; I439-K441 PolarHBondContact O-N 3.47Å; K441-L443 VanDerWaalsContact C-N 3.32Å; K441-L443 PolarHBondContact O-N 3.35Å; K441-E444 WeakPolarHBondContact CD-OE2 3.29Å; K441-E444 IonicContact NZ-OE1 2.9Å; K441-E444 PolarHBondContact NZ-OE1 3.41Å; K441-E444 IonicContact NZ-OE2 3.02Å; K441-E444 PolarHBondContact NZ-OE2 2.95Å; K441-E444 PolarHBondContact O-N 2.93Å; K441-V445 WeakPolarHBondContact O-CG2 3.4Å; K441-V445 PolarHBondContact O-N 3.35Å; K441-V445 VanDerWaalsContact O-N 3.09Å
442M88.4Confident86Confident0 Ų051 Ų510%027%0.269CS..Hα-helixtrans-64.7-38.7174.8-172.466.871.100111.3M406 L409 V424 I438 I439 E440 V445 F446 A458 I461 L462M406-M442 HydrophobicContact CE-CE 3.99Å; M406-M442 HydrophobicContact SD-CE 3.93Å; L409-M442 HydrophobicContact CD1-CE 3.88Å; L409-M442 HydrophobicContact CD1-SD 3.9Å; V424-M442 HydrophobicContact CG1-CE 3.76Å; I438-M442 WeakPolarHBondContact O-CB 3.37Å; I438-M442 PolarHBondContact O-N 3.29Å; I439-M442 PolarHBondContact O-N 3.19Å; E440-M442 PolarHBondContact O-N 2.76Å; M442-V445 PolarHBondContact O-N 3.27Å; M442-F446 WeakPolarHBondContact O-CB 3.47Å; M442-F446 PolarHBondContact O-N 3.29Å; M442-A458 HydrophobicContact SD-CB 3.71Å; M442-I461 HydrophobicContact CE-CD1 4.07Å; M442-L462 HydrophobicContact CB-CD2 4.09Å; M442-L462 HydrophobicContact CG-CD1 4.18Å; M442-L462 HydrophobicContact CG-CD2 3.84Å; M442-L462 HydrophobicContact CG-CG 3.93Å
443L87.8Confident86.2Confident19 Ų1951.8 Ų51.810%0.09927%0.268CS..Hα-helixtrans-65.7-41.2175.4-73.1170.6000112.1I439 E440 K441 V445 F446 L462 N474 V475I439-L443 HydrophobicContact CG2-CD1 4.08Å; I439-L443 WeakPolarHBondContact O-CG 3.23Å; I439-L443 PolarHBondContact O-N 3.34Å; E440-L443 PolarHBondContact O-N 3.06Å; K441-L443 VanDerWaalsContact C-N 3.32Å; K441-L443 PolarHBondContact O-N 3.35Å; L443-V445 PolarHBondContact O-N 3.45Å; L443-F446 PolarHBondContact O-N 2.92Å; L443-L462 HydrophobicContact CD2-CD1 4.25Å; L443-L462 HydrophobicContact CD2-CD2 4.09Å; L443-L462 HydrophobicContact CG-CD2 4.14Å; L443-N474 HydrophobicContact CD1-CB 4.08Å; L443-V475 HydrophobicContact CD2-CG2 3.74Å
444E87.2Confident86.3Confident92 Ų9246.9 Ų46.943%0.4323%0.233SC..Hα-helixtrans-60.8-42.2175-72.1175.8-164.400112.4E440 K441 H447E440-E444 PolarHBondContact O-N 3.46Å; E440-E444 VanDerWaalsContact O-N 3.09Å; K441-E444 WeakPolarHBondContact CD-OE2 3.29Å; K441-E444 IonicContact NZ-OE1 2.9Å; K441-E444 PolarHBondContact NZ-OE1 3.41Å; K441-E444 IonicContact NZ-OE2 3.02Å; K441-E444 PolarHBondContact NZ-OE2 2.95Å; K441-E444 PolarHBondContact O-N 2.93Å; E444-H447 PolarHBondContact O-CD2 3.34Å; E444-H447 PolarHBondContact O-NE2 2.95Å; E444-H447 VanDerWaalsContact O-NE2 3.09Å
445V87Confident86.5Confident20 Ų2045.5 Ų45.512%0.12123%0.226CC..Hα-helixtrans-85-16.8-175.4-179.20000112.4L409 K441 M442 L443 H447 A448 I449L409-V445 HydrophobicContact CB-CG1 4.13Å; K441-V445 WeakPolarHBondContact O-CG2 3.4Å; K441-V445 PolarHBondContact O-N 3.35Å; K441-V445 VanDerWaalsContact O-N 3.09Å; M442-V445 PolarHBondContact O-N 3.27Å; L443-V445 PolarHBondContact O-N 3.45Å; V445-H447 VanDerWaalsContact C-N 3.28Å; V445-H447 PolarHBondContact O-N 3.44Å; V445-H447 VanDerWaalsContact O-N 3.09Å; V445-A448 WeakPolarHBondContact O-CB 3.47Å; V445-A448 PolarHBondContact O-N 2.93Å; V445-I449 HydrophobicContact CG1-CG1 4.3Å
446F86.3Confident86.5Confident1 Ų147.1 Ų47.10%0.00423%0.232CC..G310 helixtrans-52-40.8-169.9-170.5-106.6000114.4M442 L443 A448 Y455 A458 L459 L462 E478 V479M442-F446 WeakPolarHBondContact O-CB 3.47Å; M442-F446 PolarHBondContact O-N 3.29Å; L443-F446 PolarHBondContact O-N 2.92Å; F446-A448 VanDerWaalsContact C-N 3.33Å; F446-A448 PolarHBondContact O-N 2.87Å; F446-Y455 HydrophobicContact CE1-CE1 4.42Å; F446-Y455 HydrophobicContact CE1-CE2 4.14Å; F446-Y455 AromaticContact CE1-CZ 3.63Å; F446-Y455 WeakPolarHBondContact CE1-OH 3.24Å; F446-Y455 HydrophobicContact CE2-CE1 4.21Å; F446-Y455 HydrophobicContact CE2-CE2 4.18Å; F446-Y455 AromaticContact CE2-CZ 3.92Å; F446-Y455 AromaticContact CZ-CE1 3.7Å; F446-Y455 HydrophobicContact CZ-CE1 3.7Å; F446-Y455 AromaticContact CZ-CE2 3.94Å; F446-Y455 HydrophobicContact CZ-CE2 3.94Å; F446-Y455 AromaticContact CZ-CZ 3.31Å; F446-Y455 WeakPolarHBondContact CZ-OH 3.2Å; F446-A458 HydrophobicContact CD2-CB 4.35Å; F446-A458 HydrophobicContact CE2-CB 4.42Å; F446-L459 HydrophobicContact CE2-CD2 3.92Å; F446-L459 HydrophobicContact CE2-CG 4.08Å; F446-L459 HydrophobicContact CZ-CD2 3.58Å; F446-L459 HydrophobicContact CZ-CG 4.08Å; F446-L462 HydrophobicContact CD2-CD1 3.73Å; F446-L462 HydrophobicContact CE2-CD1 3.91Å; F446-L462 HydrophobicContact CG-CD1 4.42Å; F446-E478 HydrophobicContact CD1-CB 3.91Å; F446-E478 HydrophobicContact CE1-CB 4.35Å; F446-V479 HydrophobicContact CE1-CG2 4.41Å; F446-V479 HydrophobicContact CZ-CG2 4.44Å
447H83.3Confident86.5Confident85 Ų8543.9 Ų43.939%0.39421%0.214SC..G310 helixtrans-75-19.6-179.262.268.8000114E444 V445E444-H447 PolarHBondContact O-CD2 3.34Å; E444-H447 PolarHBondContact O-NE2 2.95Å; E444-H447 VanDerWaalsContact O-NE2 3.09Å; V445-H447 VanDerWaalsContact C-N 3.28Å; V445-H447 PolarHBondContact O-N 3.44Å; V445-H447 VanDerWaalsContact O-N 3.09Å
448A84.3Confident86.5Confident36 Ų3641.5 Ų41.530%0.29820%0.201SC..G310 helixtrans-88-11.6-178.300000112.9V445 F446 K450V445-A448 WeakPolarHBondContact O-CB 3.47Å; V445-A448 PolarHBondContact O-N 2.93Å; F446-A448 VanDerWaalsContact C-N 3.33Å; F446-A448 PolarHBondContact O-N 2.87Å; A448-K450 PolarHBondContact O-N 3.22Å
449I84.4Confident86.6Confident1 Ų141.5 Ų41.51%0.00520%0.201CC..  trans-72117.3-178.3-59.5170.9000110.1V445 I454 Y455 A458V445-I449 HydrophobicContact CG1-CG1 4.3Å; I449-I454 HydrophobicContact CG2-CB 4.2Å; I449-I454 HydrophobicContact CG2-CG2 3.9Å; I449-Y455 HydrophobicContact CB-CD2 3.97Å; I449-Y455 HydrophobicContact CG2-CD2 3.96Å; I449-Y455 HydrophobicContact CG2-CG 4.48Å; I449-A458 HydrophobicContact CD1-CB 3.88Å
450K79.9Confident86.6Confident159 Ų15944.5 Ų44.569%0.69121%0.212SC*.  trans-99.1-12179.5-62.5-177.6-176.9178.50114.2A448 F545A448-K450 PolarHBondContact O-N 3.22Å; K450-F545 WeakPolarHBondContact O-CE1 3.46Å; K450-F545 WeakPolarHBondContact O-CZ 3.13Å
451T84.6Confident86.6Confident26 Ų2639.4 Ų39.416%0.1619%0.189CC..  trans-102.2125.9-172.7-53.70000111.9E414 K453 I454 Y455E414-T451 HydrophobicContact CB-CG2 4.26Å; E414-T451 HydrophobicContact CG-CG2 3.89Å; T451-K453 PolarHBondContact O-N 2.87Å; T451-I454 HydrophobicContact CG2-CD1 3.84Å; T451-I454 PolarHBondContact O-N 3.45Å; T451-Y455 WeakPolarHBondContact O-CB 3.16Å; T451-Y455 PolarHBondContact O-N 3.13Å
452V85.4Confident86.6Confident39 Ų3936.9 Ų36.924%0.23618%0.178CC..Hα-helixtrans-54.5-48.2-174.9-179.50000112.9I454 Y455 R456 F545 D550 V553V452-I454 VanDerWaalsContact C-N 3.35Å; V452-I454 PolarHBondContact O-N 3.12Å; V452-Y455 PolarHBondContact O-N 3.13Å; V452-R456 WeakPolarHBondContact O-CB 3.47Å; V452-R456 PolarHBondContact O-N 3.47Å; V452-F545 HydrophobicContact CG2-CB 4.36Å; V452-F545 HydrophobicContact CG2-CD1 3.55Å; V452-F545 HydrophobicContact CG2-CD2 4.44Å; V452-F545 HydrophobicContact CG2-CE1 3.91Å; V452-F545 HydrophobicContact CG2-CG 3.86Å; V452-D550 HydrophobicContact CG1-CB 3.99Å; V452-V553 HydrophobicContact CB-CG2 4.44Å; V452-V553 HydrophobicContact CG1-CG2 3.27Å
453K85.4Confident86.5Confident114 Ų11436.9 Ų36.950%0.49618%0.178SC..Hα-helixtrans-64.4-39.3-177.6-63-164.4-160.7118.30112.3E414 T451 G457E414-K453 WeakPolarHBondContact OE1-CD 3.4Å; E414-K453 VanDerWaalsContact OE1-CE 3.23Å; E414-K453 WeakPolarHBondContact OE1-CE 3.41Å; E414-K453 VanDerWaalsContact OE1-CG 3.25Å; E414-K453 WeakPolarHBondContact OE1-CG 3.49Å; E414-K453 IonicContact OE1-NZ 2.78Å; E414-K453 PolarHBondContact OE1-NZ 3.31Å; E414-K453 IonicContact OE2-NZ 3.92Å; E414-K453 PolarHBondContact OE2-NZ 3Å; E414-K453 VanDerWaalsContact OE2-NZ 3.12Å; T451-K453 PolarHBondContact O-N 2.87Å; K453-G457 PolarHBondContact O-N 3.07Å
454I87.3Confident86.4Confident2 Ų236 Ų361%0.0117%0.173CC..Hα-helixtrans-73.3-43.5-179.7-67.9147.6000110.1L409 A417 I449 T451 V452 R456 G457 A458L409-I454 HydrophobicContact CB-CG2 4.42Å; L409-I454 HydrophobicContact CD2-CG2 3.94Å; A417-I454 HydrophobicContact CB-CD1 3.25Å; A417-I454 HydrophobicContact CB-CG1 4.14Å; I449-I454 HydrophobicContact CG2-CB 4.2Å; I449-I454 HydrophobicContact CG2-CG2 3.9Å; T451-I454 HydrophobicContact CG2-CD1 3.84Å; T451-I454 PolarHBondContact O-N 3.45Å; V452-I454 VanDerWaalsContact C-N 3.35Å; V452-I454 PolarHBondContact O-N 3.12Å; I454-R456 VanDerWaalsContact C-N 3.27Å; I454-R456 PolarHBondContact O-N 3.06Å; I454-G457 PolarHBondContact O-N 3.48Å; I454-A458 PolarHBondContact O-N 3.22Å
455Y88Confident86.3Confident0 Ų032 Ų320%015%0.154CC..Hα-helixtrans-56.8-42.5175.6-161.2-85.6000111.8F446 I449 T451 V452 G457 A458 L459 S482 L542 F545 V553F446-Y455 HydrophobicContact CE1-CE1 4.42Å; F446-Y455 HydrophobicContact CE1-CE2 4.14Å; F446-Y455 AromaticContact CE1-CZ 3.63Å; F446-Y455 WeakPolarHBondContact CE1-OH 3.24Å; F446-Y455 HydrophobicContact CE2-CE1 4.21Å; F446-Y455 HydrophobicContact CE2-CE2 4.18Å; F446-Y455 AromaticContact CE2-CZ 3.92Å; F446-Y455 AromaticContact CZ-CE1 3.7Å; F446-Y455 HydrophobicContact CZ-CE1 3.7Å; F446-Y455 AromaticContact CZ-CE2 3.94Å; F446-Y455 HydrophobicContact CZ-CE2 3.94Å; F446-Y455 AromaticContact CZ-CZ 3.31Å; F446-Y455 WeakPolarHBondContact CZ-OH 3.2Å; I449-Y455 HydrophobicContact CB-CD2 3.97Å; I449-Y455 HydrophobicContact CG2-CD2 3.96Å; I449-Y455 HydrophobicContact CG2-CG 4.48Å; T451-Y455 WeakPolarHBondContact O-CB 3.16Å; T451-Y455 PolarHBondContact O-N 3.13Å; V452-Y455 PolarHBondContact O-N 3.13Å; Y455-G457 PolarHBondContact O-N 2.88Å; Y455-A458 PolarHBondContact O-N 3.47Å; Y455-L459 HydrophobicContact CD1-CD1 3.73Å; Y455-L459 HydrophobicContact CD1-CG 4.02Å; Y455-L459 HydrophobicContact CE1-CD1 3.72Å; Y455-L459 HydrophobicContact CE1-CD2 4.38Å; Y455-L459 HydrophobicContact CE1-CG 3.92Å; Y455-L459 WeakPolarHBondContact O-CB 3.37Å; Y455-L459 WeakPolarHBondContact O-CG 3.31Å; Y455-L459 PolarHBondContact O-N 3.4Å; Y455-S482 WeakPolarHBondContact OH-CB 3.48Å; Y455-S482 PolarHBondContact OH-OG 3.43Å; Y455-L542 HydrophobicContact CD1-CD1 4.44Å; Y455-L542 HydrophobicContact CE1-CB 4.23Å; Y455-L542 HydrophobicContact CE1-CD1 3.87Å; Y455-L542 HydrophobicContact CE1-CD2 4.24Å; Y455-L542 HydrophobicContact CE1-CG 4.34Å; Y455-F545 HydrophobicContact CD1-CE2 4.36Å; Y455-F545 AromaticContact CD2-CE2 3.91Å; Y455-F545 HydrophobicContact CD2-CE2 3.91Å; Y455-F545 HydrophobicContact CE2-CE2 4.5Å; Y455-F545 AromaticContact CG-CE2 3.83Å; Y455-F545 HydrophobicContact CG-CE2 3.83Å; Y455-V553 HydrophobicContact CD1-CG1 4.01Å
456R88.1Confident86.2Confident92 Ų9231 Ų3135%0.34715%0.148SC..Hα-helixtrans-59.6-43.4174.4-178.6-177.866.2-174-0.4112.6V452 I454 W460 F552 V553V452-R456 WeakPolarHBondContact O-CB 3.47Å; V452-R456 PolarHBondContact O-N 3.47Å; I454-R456 VanDerWaalsContact C-N 3.27Å; I454-R456 PolarHBondContact O-N 3.06Å; R456-W460 PolarHBondContact O-N 2.95Å; R456-W460 VanDerWaalsContact O-N 3.12Å; R456-F552 VanDerWaalsContact CD-CD1 3.43Å; R456-V553 HydrophobicContact CB-CG2 4.5Å
457G87.3Confident86Confident15 Ų1534 Ų3416%0.15517%0.169CC..Hα-helixtrans-67.8-42.1177.700000112.6K453 I454 Y455 W460 I461K453-G457 PolarHBondContact O-N 3.07Å; I454-G457 PolarHBondContact O-N 3.48Å; Y455-G457 PolarHBondContact O-N 2.88Å; G457-W460 WeakPolarHBondContact O-CB 3.42Å; G457-W460 PolarHBondContact O-N 3.25Å; G457-I461 WeakPolarHBondContact O-CG1 3.11Å; G457-I461 PolarHBondContact O-N 2.95Å
458A88.6Confident86.2Confident0 Ų033.2 Ų33.20%017%0.17CC..Hα-helixtrans-59.5-46.8174.900000111.6M442 F446 I449 I454 Y455 W460 I461 L462M442-A458 HydrophobicContact SD-CB 3.71Å; F446-A458 HydrophobicContact CD2-CB 4.35Å; F446-A458 HydrophobicContact CE2-CB 4.42Å; I449-A458 HydrophobicContact CD1-CB 3.88Å; I454-A458 PolarHBondContact O-N 3.22Å; Y455-A458 PolarHBondContact O-N 3.47Å; A458-W460 VanDerWaalsContact C-N 3.3Å; A458-W460 PolarHBondContact O-N 3.23Å; A458-I461 PolarHBondContact O-N 3.17Å; A458-L462 WeakPolarHBondContact O-CG 3.34Å; A458-L462 PolarHBondContact O-N 3.43Å
459L89.3Confident86.3Confident0 Ų035.4 Ų35.40%017%0.173CC..Hα-helixtrans-55.1-45.4173.2-82.5174.8000112.1F446 Y455 L462 G463 V479 V553 L557 T560F446-L459 HydrophobicContact CE2-CD2 3.92Å; F446-L459 HydrophobicContact CE2-CG 4.08Å; F446-L459 HydrophobicContact CZ-CD2 3.58Å; F446-L459 HydrophobicContact CZ-CG 4.08Å; Y455-L459 HydrophobicContact CD1-CD1 3.73Å; Y455-L459 HydrophobicContact CD1-CG 4.02Å; Y455-L459 HydrophobicContact CE1-CD1 3.72Å; Y455-L459 HydrophobicContact CE1-CD2 4.38Å; Y455-L459 HydrophobicContact CE1-CG 3.92Å; Y455-L459 WeakPolarHBondContact O-CB 3.37Å; Y455-L459 WeakPolarHBondContact O-CG 3.31Å; Y455-L459 PolarHBondContact O-N 3.4Å; L459-L462 PolarHBondContact O-N 2.95Å; L459-G463 PolarHBondContact O-N 2.95Å; L459-V479 HydrophobicContact CD2-CG2 4.23Å; L459-V553 HydrophobicContact CD1-CG1 4.06Å; L459-L557 HydrophobicContact CD1-CB 4.2Å; L459-L557 HydrophobicContact CD1-CD1 4.25Å; L459-L557 HydrophobicContact CD2-CD1 3.81Å; L459-T560 HydrophobicContact CD2-CG2 4.44Å; L459-T560 VanDerWaalsContact O-CG2 3.32Å; L459-T560 WeakPolarHBondContact O-CG2 3.3Å; L459-T560 PolarHBondContact O-OG1 3.08Å
460W89.4Confident86.4Confident71 Ų7142.2 Ų42.227%0.26921%0.205SC..Hα-helixtrans-63.7-43.1179.3-178.890.8000112.1R425 R456 G457 A458 G463 E464 Y465 L639R425-W460 HydrophobicContact CG-CZ3 3.95Å; R456-W460 PolarHBondContact O-N 2.95Å; R456-W460 VanDerWaalsContact O-N 3.12Å; G457-W460 WeakPolarHBondContact O-CB 3.42Å; G457-W460 PolarHBondContact O-N 3.25Å; A458-W460 VanDerWaalsContact C-N 3.3Å; A458-W460 PolarHBondContact O-N 3.23Å; W460-G463 PolarHBondContact O-N 3.07Å; W460-E464 HydrophobicContact CH2-CG 4.49Å; W460-E464 HydrophobicContact CZ2-CG 4.44Å; W460-E464 WeakPolarHBondContact O-CB 3.43Å; W460-E464 PolarHBondContact O-N 3.43Å; W460-Y465 HydrophobicContact CH2-CE2 4.48Å; W460-Y465 HydrophobicContact CZ3-CE2 4.24Å; W460-L639 HydrophobicContact CH2-CB 4.35Å; W460-L639 HydrophobicContact CH2-CD1 4.1Å; W460-L639 HydrophobicContact CH2-CD2 3.54Å; W460-L639 HydrophobicContact CH2-CG 4.18Å; W460-L639 HydrophobicContact CZ3-CD2 4.16Å
461I88.4Confident86.8Confident2 Ų236.3 Ų36.31%0.0118%0.181CC..Hα-helixtrans-61.8-48.6177.4-67.2171.6000110.4L421 V424 R425 I428 M442 G457 A458 G463 E464 Y465L421-I461 HydrophobicContact CD1-CD1 3.61Å; V424-I461 HydrophobicContact CB-CD1 4.48Å; V424-I461 HydrophobicContact CG1-CD1 4Å; R425-I461 HydrophobicContact CB-CD1 4.35Å; I428-I461 HydrophobicContact CD1-CG2 3.7Å; M442-I461 HydrophobicContact CE-CD1 4.07Å; G457-I461 WeakPolarHBondContact O-CG1 3.11Å; G457-I461 PolarHBondContact O-N 2.95Å; A458-I461 PolarHBondContact O-N 3.17Å; I461-G463 PolarHBondContact O-N 3.27Å; I461-E464 PolarHBondContact O-N 2.99Å; I461-Y465 HydrophobicContact CG2-CD2 4.3Å; I461-Y465 WeakPolarHBondContact O-CD2 3.35Å; I461-Y465 PolarHBondContact O-N 3.47Å
462L88.6Confident86.9Confident1 Ų135 Ų351%0.00517%0.173CC..Hα-helixtrans-61.7-45177.9-67.9173.2000111.4I439 M442 L443 F446 A458 L459 E464 C466 V475I439-L462 HydrophobicContact CG2-CD2 4.38Å; M442-L462 HydrophobicContact CB-CD2 4.09Å; M442-L462 HydrophobicContact CG-CD1 4.18Å; M442-L462 HydrophobicContact CG-CD2 3.84Å; M442-L462 HydrophobicContact CG-CG 3.93Å; L443-L462 HydrophobicContact CD2-CD1 4.25Å; L443-L462 HydrophobicContact CD2-CD2 4.09Å; L443-L462 HydrophobicContact CG-CD2 4.14Å; F446-L462 HydrophobicContact CD2-CD1 3.73Å; F446-L462 HydrophobicContact CE2-CD1 3.91Å; F446-L462 HydrophobicContact CG-CD1 4.42Å; A458-L462 WeakPolarHBondContact O-CG 3.34Å; A458-L462 PolarHBondContact O-N 3.43Å; L459-L462 PolarHBondContact O-N 2.95Å; L462-E464 VanDerWaalsContact C-N 3.32Å; L462-E464 PolarHBondContact O-N 2.91Å; L462-C466 WeakPolarHBondContact O-CB 3.28Å; L462-C466 PolarHBondContact O-N 3.34Å; L462-C466 PolarHBondContact O-SG 2.98Å; L462-V475 HydrophobicContact CB-CG1 4.48Å; L462-V475 HydrophobicContact CB-CG2 4.06Å; L462-V475 HydrophobicContact CD1-CG2 4.37Å; L462-V475 HydrophobicContact CD2-CG2 4.27Å; L462-V475 HydrophobicContact CG-CG2 4.47Å
463G86.5Confident87.1Confident0 Ų036.7 Ų36.70%018%0.178CC..Hα-helixtrans-60.9-38.9177.200000113.9L459 W460 I461 R567L459-G463 PolarHBondContact O-N 2.95Å; W460-G463 PolarHBondContact O-N 3.07Å; I461-G463 PolarHBondContact O-N 3.27Å; G463-R567 PolarHBondContact O-NH1 2.98Å; G463-R567 PolarHBondContact O-NH2 2.9Å
464E84.8Confident87.2Confident1 Ų135 Ų351%0.00517%0.174CC..Hα-helixtrans-79.1-41.8-175.9-165.456.5-128.900112.2W460 I461 L462 K563 R567 R636W460-E464 HydrophobicContact CH2-CG 4.49Å; W460-E464 HydrophobicContact CZ2-CG 4.44Å; W460-E464 WeakPolarHBondContact O-CB 3.43Å; W460-E464 PolarHBondContact O-N 3.43Å; I461-E464 PolarHBondContact O-N 2.99Å; L462-E464 VanDerWaalsContact C-N 3.32Å; L462-E464 PolarHBondContact O-N 2.91Å; E464-K563 IonicContact OE2-NZ 3.07Å; E464-K563 PolarHBondContact OE2-NZ 2.92Å; E464-R567 PolarHBondContact O-NH1 3.05Å; E464-R567 PolarHBondContact O-NH2 3.14Å; E464-R636 HydrophobicContact CG-CG 4.25Å; E464-R636 PolarHBondContact O-NH2 2.89Å; E464-R636 WeakPolarHBondContact OE1-CB 3.4Å; E464-R636 IonicContact OE1-CZ 3.36Å; E464-R636 IonicContact OE1-NE 3.13Å; E464-R636 PolarHBondContact OE1-NE 3.29Å; E464-R636 VanDerWaalsContact OE1-NE 3.12Å
465Y85.8Confident87.3Confident7 Ų734.9 Ų34.93%0.02717%0.174CC..Hα-helixtrans-106.6-15.7-167.6-65.9-84.2000115.9I428 Q429 W460 I461 S467 L639I428-Y465 HydrophobicContact CD1-CD1 4.12Å; I428-Y465 HydrophobicContact CD1-CD2 3.66Å; I428-Y465 HydrophobicContact CD1-CE2 4.39Å; I428-Y465 HydrophobicContact CD1-CG 3.49Å; I428-Y465 VanDerWaalsContact CD1-CG 3.49Å; I428-Y465 HydrophobicContact CG1-CD1 4.04Å; I428-Y465 HydrophobicContact CG1-CD2 4.21Å; I428-Y465 HydrophobicContact CG1-CE1 4.41Å; I428-Y465 HydrophobicContact CG1-CG 3.93Å; I428-Y465 HydrophobicContact CG2-CD2 3.91Å; I428-Y465 HydrophobicContact CG2-CE1 4.2Å; I428-Y465 HydrophobicContact CG2-CE2 3.53Å; I428-Y465 HydrophobicContact CG2-CG 4.39Å; Q429-Y465 PolarHBondContact OE1-OH 3.37Å; W460-Y465 HydrophobicContact CH2-CE2 4.48Å; W460-Y465 HydrophobicContact CZ3-CE2 4.24Å; I461-Y465 HydrophobicContact CG2-CD2 4.3Å; I461-Y465 WeakPolarHBondContact O-CD2 3.35Å; I461-Y465 PolarHBondContact O-N 3.47Å; Y465-S467 PolarHBondContact O-N 3.2Å; Y465-S467 PolarHBondContact O-OG 3.26Å; Y465-L639 WeakPolarHBondContact OH-CD2 3.46Å
466C85.6Confident87.3Confident0 Ų035.2 Ų35.20%018%0.176CC..  trans-64.3107.5173.9-69.80000110.5L462 D471 I472 L564 R567L462-C466 WeakPolarHBondContact O-CB 3.28Å; L462-C466 PolarHBondContact O-N 3.34Å; L462-C466 PolarHBondContact O-SG 2.98Å; C466-D471 HydrophobicContact CB-CB 4.05Å; C466-I472 HydrophobicContact CB-CG1 4.34Å; C466-L564 HydrophobicContact CB-CD2 4.05Å; C466-R567 VanDerWaalsContact O-CD 3.32Å; C466-R567 WeakPolarHBondContact O-CD 3.23Å; C466-R567 PolarHBondContact O-NH1 3.1Å
467S81.7Confident87.3Confident62 Ų6234.9 Ų34.943%0.43418%0.184SC..  trans-114.4-19.7-171.6-56.60000112.9Y465 I571Y465-S467 PolarHBondContact O-N 3.2Å; Y465-S467 PolarHBondContact O-OG 3.26Å; S467-I571 WeakPolarHBondContact O-CD1 3.49Å
468T86.6Confident87.3Confident70 Ų7035.8 Ų35.843%0.42918%0.184SC..SBendtrans-87.4155.5177.678.50000110.9E470 D471 I472T468-E470 VanDerWaalsContact C-N 3.3Å; T468-E470 PolarHBondContact O-N 3.44Å; T468-D471 WeakPolarHBondContact CG2-OD2 3.33Å; T468-D471 WeakPolarHBondContact OG1-CB 3.42Å; T468-D471 PolarHBondContact OG1-N 2.92Å; T468-D471 VanDerWaalsContact OG1-N 3.13Å; T468-D471 PolarHBondContact OG1-OD1 3.14Å; T468-D471 PolarHBondContact OG1-OD2 3Å; T468-I472 WeakPolarHBondContact O-CD1 3.47Å; T468-I472 WeakPolarHBondContact O-CG1 3.44Å; T468-I472 PolarHBondContact O-N 3.44Å
469K86.8Confident87.2Confident81 Ų8135.8 Ų35.835%0.35218%0.184SC..Hα-helixtrans-61.8-40.4177.4-177.2-169.9168.2-161.40111.8Q473 Y568 V572K469-Q473 WeakPolarHBondContact O-CG 3.49Å; K469-Q473 PolarHBondContact O-N 2.83Å; K469-Y568 HydrophobicContact CG-CE2 3.9Å; K469-V572 HydrophobicContact CD-CG2 3.94Å; K469-V572 HydrophobicContact CG-CG2 4.02Å
470E86.8Confident87Confident144 Ų14441 Ų4167%0.67320%0.204SC*.Hα-helixtrans-67.2-46.1-178.3-67.2176.4-175.600110.7T468 I472 Q473 N474T468-E470 VanDerWaalsContact C-N 3.3Å; T468-E470 PolarHBondContact O-N 3.44Å; E470-I472 VanDerWaalsContact C-N 3.34Å; E470-I472 PolarHBondContact O-N 2.8Å; E470-Q473 PolarHBondContact O-N 3.05Å; E470-Q473 VanDerWaalsContact O-N 3.16Å; E470-N474 WeakPolarHBondContact O-CB 3.39Å; E470-N474 PolarHBondContact O-N 3.14Å; E470-N474 PolarHBondContact O-ND2 2.88Å; E470-N474 PolarHBondContact O-OD1 3.41Å
471D87Confident86.8Confident35 Ų3544.6 Ų44.619%0.18722%0.218CC..Hα-helixtrans-59.8-44177.3-59.3-30.6000111.8I439 C466 T468 Q473 N474 V475I439-D471 HydrophobicContact CG2-CB 4.38Å; C466-D471 HydrophobicContact CB-CB 4.05Å; T468-D471 WeakPolarHBondContact CG2-OD2 3.33Å; T468-D471 WeakPolarHBondContact OG1-CB 3.42Å; T468-D471 PolarHBondContact OG1-N 2.92Å; T468-D471 VanDerWaalsContact OG1-N 3.13Å; T468-D471 PolarHBondContact OG1-OD1 3.14Å; T468-D471 PolarHBondContact OG1-OD2 3Å; D471-Q473 VanDerWaalsContact C-N 3.28Å; D471-Q473 PolarHBondContact O-N 3.46Å; D471-N474 PolarHBondContact O-N 3.02Å; D471-V475 VanDerWaalsContact O-CG2 3.31Å; D471-V475 WeakPolarHBondContact O-CG2 3.31Å; D471-V475 PolarHBondContact O-N 3.43Å
472I87.9Confident86.6Confident0 Ų044.7 Ų44.70%022%0.218CC..Hα-helixtrans-61.7-39.8179.6-66.2165.8000110.9C466 T468 E470 M476 L564 R567 Y568 I571 F581C466-I472 HydrophobicContact CB-CG1 4.34Å; T468-I472 WeakPolarHBondContact O-CD1 3.47Å; T468-I472 WeakPolarHBondContact O-CG1 3.44Å; T468-I472 PolarHBondContact O-N 3.44Å; E470-I472 VanDerWaalsContact C-N 3.34Å; E470-I472 PolarHBondContact O-N 2.8Å; I472-M476 PolarHBondContact O-N 2.79Å; I472-L564 HydrophobicContact CG1-CD2 4Å; I472-L564 HydrophobicContact CG2-CB 4.17Å; I472-L564 HydrophobicContact CG2-CD2 4.33Å; I472-R567 HydrophobicContact CD1-CG 4.25Å; I472-Y568 HydrophobicContact CG2-CD2 3.97Å; I472-I571 HydrophobicContact CD1-CD1 3.93Å; I472-F581 HydrophobicContact CG2-CE1 4.23Å; I472-F581 HydrophobicContact CG2-CE2 4Å; I472-F581 HydrophobicContact CG2-CZ 3.54Å
473Q88.6Confident86.3Confident73 Ų7344.6 Ų44.634%0.34122%0.218SC..Hα-helixtrans-69.3-42.2176.7-69.8-177.3-53.100111.3K469 E470 D471 V475 M476 T477 Y568K469-Q473 WeakPolarHBondContact O-CG 3.49Å; K469-Q473 PolarHBondContact O-N 2.83Å; E470-Q473 PolarHBondContact O-N 3.05Å; E470-Q473 VanDerWaalsContact O-N 3.16Å; D471-Q473 VanDerWaalsContact C-N 3.28Å; D471-Q473 PolarHBondContact O-N 3.46Å; Q473-V475 PolarHBondContact O-N 2.68Å; Q473-M476 WeakPolarHBondContact O-CB 3.45Å; Q473-M476 PolarHBondContact O-N 3.14Å; Q473-M476 VanDerWaalsContact O-N 3.14Å; Q473-T477 PolarHBondContact O-N 3.18Å; Q473-T477 PolarHBondContact O-OG1 3.46Å; Q473-T477 VanDerWaalsContact O-OG1 3.12Å; Q473-Y568 HydrophobicContact CG-CE2 4.12Å
474N89.1Confident85.9Confident78 Ų7845.7 Ų45.742%0.41723%0.229SC..Hα-helixtrans-61.7-42.5177.2-67.6-16.9000111.9L443 E470 D471 M476 T477 E478L443-N474 HydrophobicContact CD1-CB 4.08Å; E470-N474 WeakPolarHBondContact O-CB 3.39Å; E470-N474 PolarHBondContact O-N 3.14Å; E470-N474 PolarHBondContact O-ND2 2.88Å; E470-N474 PolarHBondContact O-OD1 3.41Å; D471-N474 PolarHBondContact O-N 3.02Å; N474-M476 VanDerWaalsContact C-N 3.29Å; N474-M476 PolarHBondContact O-N 3.4Å; N474-T477 PolarHBondContact O-N 2.88Å; N474-E478 PolarHBondContact O-N 3.3Å
475V88.7Confident85.4Confident1 Ų151.9 Ų51.91%0.00626%0.258CS..Hα-helixtrans-58.9-43.1174.11750000110.9L443 L462 D471 Q473 T477 E478 V479 L564L443-V475 HydrophobicContact CD2-CG2 3.74Å; L462-V475 HydrophobicContact CB-CG1 4.48Å; L462-V475 HydrophobicContact CB-CG2 4.06Å; L462-V475 HydrophobicContact CD1-CG2 4.37Å; L462-V475 HydrophobicContact CD2-CG2 4.27Å; L462-V475 HydrophobicContact CG-CG2 4.47Å; D471-V475 VanDerWaalsContact O-CG2 3.31Å; D471-V475 WeakPolarHBondContact O-CG2 3.31Å; D471-V475 PolarHBondContact O-N 3.43Å; Q473-V475 PolarHBondContact O-N 2.68Å; V475-T477 VanDerWaalsContact C-N 3.34Å; V475-T477 PolarHBondContact O-N 3.33Å; V475-E478 PolarHBondContact O-N 2.94Å; V475-V479 HydrophobicContact CG1-CG2 4.26Å; V475-V479 WeakPolarHBondContact O-CB 3.4Å; V475-V479 VanDerWaalsContact O-CG2 3.26Å; V475-V479 WeakPolarHBondContact O-CG2 3.13Å; V475-V479 PolarHBondContact O-N 3.46Å; V475-L564 HydrophobicContact CB-CD1 4.22Å; V475-L564 HydrophobicContact CG1-CD1 3.63Å
476M87.2Confident84.8Confident6 Ų652.9 Ų52.93%0.0326%0.263CS..Hα-helixtrans-63.4-41.2178.1-168.165.6137.100111.8I472 Q473 N474 R480 L561 F581 E584 A585 I588I472-M476 PolarHBondContact O-N 2.79Å; Q473-M476 WeakPolarHBondContact O-CB 3.45Å; Q473-M476 PolarHBondContact O-N 3.14Å; Q473-M476 VanDerWaalsContact O-N 3.14Å; N474-M476 VanDerWaalsContact C-N 3.29Å; N474-M476 PolarHBondContact O-N 3.4Å; M476-R480 WeakPolarHBondContact O-CB 3.45Å; M476-R480 PolarHBondContact O-N 3.12Å; M476-L561 HydrophobicContact CE-CD2 4.45Å; M476-L561 HydrophobicContact SD-CD2 3.67Å; M476-F581 HydrophobicContact CB-CE2 3.89Å; M476-F581 HydrophobicContact CB-CZ 4.31Å; M476-F581 HydrophobicContact CE-CD2 4.44Å; M476-F581 HydrophobicContact CE-CE1 4.49Å; M476-F581 HydrophobicContact CE-CE2 4.16Å; M476-F581 HydrophobicContact CE-CZ 4.19Å; M476-F581 HydrophobicContact CG-CE2 3.96Å; M476-F581 HydrophobicContact CG-CZ 4.42Å; M476-F581 HydrophobicContact SD-CE2 4.46Å; M476-F581 HydrophobicContact SD-CZ 4.4Å; M476-E584 HydrophobicContact CE-CB 3.76Å; M476-E584 HydrophobicContact CE-CG 3.7Å; M476-A585 HydrophobicContact CE-CB 4.06Å; M476-I588 HydrophobicContact CE-CD1 4.18Å; M476-I588 HydrophobicContact SD-CD1 3.94Å
477T88.9Confident84.1Confident86 Ų8655.6 Ų55.653%0.52828%0.281SS..Hα-helixtrans-63.4-45.6175.9-56.90000111.9Q473 N474 V475 R480 R481Q473-T477 PolarHBondContact O-N 3.18Å; Q473-T477 PolarHBondContact O-OG1 3.46Å; Q473-T477 VanDerWaalsContact O-OG1 3.12Å; N474-T477 PolarHBondContact O-N 2.88Å; V475-T477 VanDerWaalsContact C-N 3.34Å; V475-T477 PolarHBondContact O-N 3.33Å; T477-R480 WeakPolarHBondContact O-CB 3.28Å; T477-R480 PolarHBondContact O-N 3.38Å; T477-R481 WeakPolarHBondContact O-CB 3.22Å; T477-R481 PolarHBondContact O-N 3.17Å
478E86.3Confident83.8Confident34 Ų3452.7 Ų52.716%0.15926%0.261CS..Hα-helixtrans-68.1-39.3178.4-74-56.9142.800112.4F446 N474 V475 R480 R481 S482F446-E478 HydrophobicContact CD1-CB 3.91Å; F446-E478 HydrophobicContact CE1-CB 4.35Å; N474-E478 PolarHBondContact O-N 3.3Å; V475-E478 PolarHBondContact O-N 2.94Å; E478-R480 VanDerWaalsContact C-N 3.28Å; E478-R480 PolarHBondContact O-N 3.13Å; E478-R481 WeakPolarHBondContact O-CB 3.29Å; E478-R481 PolarHBondContact O-N 2.66Å; E478-R481 IonicContact OE1-NH1 2.91Å; E478-R481 IonicContact OE2-NH1 3.88Å; E478-S482 PolarHBondContact O-N 3.13Å; E478-S482 PolarHBondContact O-OG 3.4Å
479V87.3Confident83Confident0 Ų049.8 Ų49.80%024%0.242CC..Hα-helixtrans-58.7-42.8171.8165.90000110.9F446 L459 V475 S482 L483 L557 I588F446-V479 HydrophobicContact CE1-CG2 4.41Å; F446-V479 HydrophobicContact CZ-CG2 4.44Å; L459-V479 HydrophobicContact CD2-CG2 4.23Å; V475-V479 HydrophobicContact CG1-CG2 4.26Å; V475-V479 WeakPolarHBondContact O-CB 3.4Å; V475-V479 VanDerWaalsContact O-CG2 3.26Å; V475-V479 WeakPolarHBondContact O-CG2 3.13Å; V475-V479 PolarHBondContact O-N 3.46Å; V479-S482 PolarHBondContact O-N 2.82Å; V479-L483 HydrophobicContact CG1-CD1 3.9Å; V479-L483 WeakPolarHBondContact O-CG 3.33Å; V479-L483 PolarHBondContact O-N 3.46Å; V479-L557 HydrophobicContact CG1-CD1 3.79Å; V479-L557 HydrophobicContact CG1-CD2 4.42Å; V479-L557 HydrophobicContact CG2-CD1 3.96Å; V479-I588 HydrophobicContact CG1-CD1 4.47Å
480R85.4Confident82.3Confident109 Ų10950.9 Ų50.941%0.41125%0.249SC..Hα-helixtrans-65.1-42.4177.6-168.6175.6-171.6113.16.3111.5M476 T477 E478 S482 L483 G484 E584M476-R480 WeakPolarHBondContact O-CB 3.45Å; M476-R480 PolarHBondContact O-N 3.12Å; T477-R480 WeakPolarHBondContact O-CB 3.28Å; T477-R480 PolarHBondContact O-N 3.38Å; E478-R480 VanDerWaalsContact C-N 3.28Å; E478-R480 PolarHBondContact O-N 3.13Å; R480-S482 VanDerWaalsContact C-N 3.35Å; R480-S482 PolarHBondContact O-N 2.77Å; R480-L483 PolarHBondContact O-N 3.48Å; R480-G484 PolarHBondContact O-N 2.91Å; R480-E584 IonicContact CZ-OE1 3.8Å; R480-E584 IonicContact NH1-OE1 3.61Å; R480-E584 PolarHBondContact NH1-OE1 3.03Å
481R85.8Confident81.6Confident147 Ų14744.7 Ų44.756%0.55522%0.221SC*.Hα-helixtrans-60.6-43.1174.9-171.8-178.8178-168.1-2.7111.7T477 E478 G484T477-R481 WeakPolarHBondContact O-CB 3.22Å; T477-R481 PolarHBondContact O-N 3.17Å; E478-R481 WeakPolarHBondContact O-CB 3.29Å; E478-R481 PolarHBondContact O-N 2.66Å; E478-R481 IonicContact OE1-NH1 2.91Å; E478-R481 IonicContact OE2-NH1 3.88Å; R481-G484 PolarHBondContact O-N 2.7Å
482S84.1Confident80.7Confident3 Ų343.3 Ų43.32%0.02121%0.213CC..Hα-helixtrans-72.9-23178.2-68.20000114.1Y455 E478 V479 R480 P540 L542 R543Y455-S482 WeakPolarHBondContact OH-CB 3.48Å; Y455-S482 PolarHBondContact OH-OG 3.43Å; E478-S482 PolarHBondContact O-N 3.13Å; E478-S482 PolarHBondContact O-OG 3.4Å; V479-S482 PolarHBondContact O-N 2.82Å; R480-S482 VanDerWaalsContact C-N 3.35Å; R480-S482 PolarHBondContact O-N 2.77Å; S482-P540 WeakPolarHBondContact O-CB 3.35Å; S482-L542 WeakPolarHBondContact O-CB 3.36Å; S482-L542 PolarHBondContact O-N 3.47Å; S482-R543 PolarHBondContact O-N 2.84Å
483L82Confident79.8Confident0 Ų047.1 Ų47.10%023%0.232CC..Hα-helixtrans-83.6-28.8171.2-74.2166.8000112.6V479 R480 I486 I488 L542 R543 L546 I588V479-L483 HydrophobicContact CG1-CD1 3.9Å; V479-L483 WeakPolarHBondContact O-CG 3.33Å; V479-L483 PolarHBondContact O-N 3.46Å; R480-L483 PolarHBondContact O-N 3.48Å; L483-I486 HydrophobicContact CD1-CD1 4.44Å; L483-I488 HydrophobicContact CD2-CD1 4.15Å; L483-L542 HydrophobicContact CD1-CD2 4.35Å; L483-L542 HydrophobicContact CD2-CD2 3.62Å; L483-L542 HydrophobicContact CD2-CG 3.72Å; L483-L542 HydrophobicContact CG-CD2 3.63Å; L483-L542 HydrophobicContact CG-CG 4.21Å; L483-R543 WeakPolarHBondContact O-CD 3.49Å; L483-L546 HydrophobicContact CD2-CD1 3.98Å; L483-I588 HydrophobicContact CD1-CG1 4.46Å; L483-I588 HydrophobicContact CD1-CG2 3.61Å
484G78.5Confident78.7Confident22 Ų2247.6 Ų47.623%0.22723%0.233CC..  trans74.6-156.2-169.900000112.4R480 R481 I486R480-G484 PolarHBondContact O-N 2.91Å; R481-G484 PolarHBondContact O-N 2.7Å; G484-I486 PolarHBondContact O-N 3.44Å
485E72.9Confident77.7Confident131 Ų13149.3 Ų49.361%0.61224%0.237SC*.SBendtrans-70.8130-176.4-66.9-174.516800113.2N491 R543E485-N491 WeakPolarHBondContact CB-ND2 3.26Å; E485-N491 PolarHBondContact O-ND2 3.24Å; E485-N491 PolarHBondContact OE2-ND2 3.43Å; E485-R543 PolarHBondContact O-NH1 2.87Å
486I73.2Confident76.3Confident28 Ų2855 Ų5514%0.14426%0.263CS..SBendtrans-104.4137.8177.8-64.6166.4000108.1L483 G484 I488 L587 I588 T591L483-I486 HydrophobicContact CD1-CD1 4.44Å; G484-I486 PolarHBondContact O-N 3.44Å; I486-I488 HydrophobicContact CG1-CG1 4.46Å; I486-L587 HydrophobicContact CG2-CD2 4.42Å; I486-L587 HydrophobicContact CG2-CG 4.39Å; I486-I588 HydrophobicContact CD1-CG1 3.87Å; I486-T591 HydrophobicContact CG2-CG2 4.12Å
487P71.9Confident74.8Confident58 Ų5859 Ų5938%0.37729%0.289SS..SBendcis-76.8134.68.2-16.131.8000115.1N491P487-N491 WeakPolarHBondContact O-CB 3.45Å; P487-N491 PolarHBondContact O-N 3.15Å
488I74.4Confident73.1Confident1 Ų157.7 Ų57.71%0.00529%0.292CS..Hα-helixtrans-66.6-45.8-170.8-57.8165.7000112.1L483 I486 N491 E492 T591 V592 L595L483-I488 HydrophobicContact CD2-CD1 4.15Å; I486-I488 HydrophobicContact CG1-CG1 4.46Å; I488-N491 PolarHBondContact O-N 2.92Å; I488-E492 HydrophobicContact CG2-CG 4.3Å; I488-E492 WeakPolarHBondContact O-CG 3.39Å; I488-E492 PolarHBondContact O-N 2.98Å; I488-T591 HydrophobicContact CB-CG2 3.92Å; I488-T591 HydrophobicContact CD1-CG2 3.83Å; I488-T591 HydrophobicContact CG1-CG2 3.66Å; I488-V592 HydrophobicContact CD1-CG2 4.5Å; I488-L595 HydrophobicContact CD1-CD2 4.41Å; I488-L595 HydrophobicContact CG2-CD1 4.11Å; I488-L595 HydrophobicContact CG2-CD2 3.92Å
489V71Confident71.2Confident8 Ų863.4 Ų63.45%0.04832%0.319CS..Hα-helixtrans-64.2-45.4-175.6173.30000111.7N491 E492 I493 H594 L595 L600V489-N491 VanDerWaalsContact C-N 3.33Å; V489-N491 PolarHBondContact O-N 2.82Å; V489-E492 PolarHBondContact O-N 3.36Å; V489-I493 HydrophobicContact CG1-CD1 3.63Å; V489-I493 HydrophobicContact CG1-CG1 4.42Å; V489-I493 WeakPolarHBondContact O-CB 3.19Å; V489-I493 WeakPolarHBondContact O-CD1 3.48Å; V489-I493 WeakPolarHBondContact O-CG1 3.49Å; V489-I493 PolarHBondContact O-N 3.35Å; V489-H594 VanDerWaalsContact CG2-ND1 3.32Å; V489-H594 WeakPolarHBondContact CG2-ND1 3.35Å; V489-L595 HydrophobicContact CG2-CB 3.99Å; V489-L595 HydrophobicContact CG2-CD1 3.87Å; V489-L600 HydrophobicContact CB-CD1 4.44Å; V489-L600 HydrophobicContact CG1-CD1 3.9Å; V489-L600 HydrophobicContact CG2-CD1 4.47Å
490E70.9Confident69.2Low104 Ų10467.3 Ų67.349%0.48634%0.34SS..Hα-helixtrans-65.1-38.4177.3-66.9179.8-172.100111.8I493 K494E490-I493 PolarHBondContact O-N 3.44Å; E490-K494 VanDerWaalsContact O-CB 3.31Å; E490-K494 WeakPolarHBondContact O-CB 3.2Å; E490-K494 WeakPolarHBondContact O-CG 3.28Å; E490-K494 PolarHBondContact O-N 3.46Å
491N72.9Confident66.8Low15 Ų1571.2 Ų71.28%0.0836%0.36CS..Hα-helixtrans-69.6-37.3176.4-89.6-19.6000113.2E485 P487 I488 V489 K495E485-N491 WeakPolarHBondContact CB-ND2 3.26Å; E485-N491 PolarHBondContact O-ND2 3.24Å; E485-N491 PolarHBondContact OE2-ND2 3.43Å; P487-N491 WeakPolarHBondContact O-CB 3.45Å; P487-N491 PolarHBondContact O-N 3.15Å; I488-N491 PolarHBondContact O-N 2.92Å; V489-N491 VanDerWaalsContact C-N 3.33Å; V489-N491 PolarHBondContact O-N 2.82Å; N491-K495 WeakPolarHBondContact O-CB 3.18Å; N491-K495 VanDerWaalsContact O-CG 3.24Å; N491-K495 WeakPolarHBondContact O-CG 3.47Å; N491-K495 PolarHBondContact O-N 3.02Å
492E68.4Low64.6Low6 Ų669.2 Ų69.23%0.02837%0.366CS..Hα-helixtrans-65.9-44172.2-76.9-59.315100111.2I488 V489 K494 K495 E496 R543 M547 L600I488-E492 HydrophobicContact CG2-CG 4.3Å; I488-E492 WeakPolarHBondContact O-CG 3.39Å; I488-E492 PolarHBondContact O-N 2.98Å; V489-E492 PolarHBondContact O-N 3.36Å; E492-K494 PolarHBondContact O-N 2.83Å; E492-K495 PolarHBondContact O-N 3.07Å; E492-K495 VanDerWaalsContact O-N 3.16Å; E492-E496 PolarHBondContact O-N 3.01Å; E492-R543 IonicContact OE1-CZ 3.11Å; E492-R543 IonicContact OE1-NE 3.98Å; E492-R543 PolarHBondContact OE1-NE 2.89Å; E492-R543 IonicContact OE1-NH2 3.67Å; E492-R543 PolarHBondContact OE1-NH2 3.25Å; E492-M547 HydrophobicContact CG-CE 4.35Å; E492-M547 HydrophobicContact CG-SD 4.3Å; E492-L600 HydrophobicContact CB-CD1 4.16Å
493I68.2Low62.1Low79 Ų7978.5 Ų78.541%0.40541%0.409SS..Hα-helixtrans-61.6-44.3176.7-67.3165.5000110.6V489 E490 K495 E496 T497 L600V489-I493 HydrophobicContact CG1-CD1 3.63Å; V489-I493 HydrophobicContact CG1-CG1 4.42Å; V489-I493 WeakPolarHBondContact O-CB 3.19Å; V489-I493 WeakPolarHBondContact O-CD1 3.48Å; V489-I493 WeakPolarHBondContact O-CG1 3.49Å; V489-I493 PolarHBondContact O-N 3.35Å; E490-I493 PolarHBondContact O-N 3.44Å; I493-K495 VanDerWaalsContact C-N 3.3Å; I493-K495 PolarHBondContact O-N 3.49Å; I493-E496 PolarHBondContact O-N 2.96Å; I493-T497 HydrophobicContact CG2-CG2 4.39Å; I493-T497 VanDerWaalsContact O-CG2 3.31Å; I493-T497 WeakPolarHBondContact O-CG2 3.33Å; I493-T497 PolarHBondContact O-N 2.93Å; I493-T497 PolarHBondContact O-OG1 3.33Å; I493-T497 VanDerWaalsContact O-OG1 3.06Å; I493-L600 HydrophobicContact CG1-CD1 4.22Å
494K66.7Low59.8Low83 Ų8384.7 Ų84.736%0.36144%0.442SS..Hα-helixtrans-63.9-31.9175.7-74.7170-1761720113.3E490 E492 T497 G498 E499 L500E490-K494 VanDerWaalsContact O-CB 3.31Å; E490-K494 WeakPolarHBondContact O-CB 3.2Å; E490-K494 WeakPolarHBondContact O-CG 3.28Å; E490-K494 PolarHBondContact O-N 3.46Å; E492-K494 PolarHBondContact O-N 2.83Å; K494-T497 WeakPolarHBondContact CA-OG1 3.27Å; K494-T497 PolarHBondContact O-OG1 2.75Å; K494-G498 PolarHBondContact O-N 2.79Å; K494-E499 PolarHBondContact O-N 2.92Å; K494-E499 VanDerWaalsContact O-N 3.08Å; K494-L500 HydrophobicContact CB-CD1 4.05Å
495K66.3Low57.8Low114 Ų11493.1 Ų93.150%0.49648%0.475SS..Hα-helixtrans-74.2-39.6173.6-77.1-178.6179.1-1700111.7N491 E492 I493 T497 G498 L500N491-K495 WeakPolarHBondContact O-CB 3.18Å; N491-K495 VanDerWaalsContact O-CG 3.24Å; N491-K495 WeakPolarHBondContact O-CG 3.47Å; N491-K495 PolarHBondContact O-N 3.02Å; E492-K495 PolarHBondContact O-N 3.07Å; E492-K495 VanDerWaalsContact O-N 3.16Å; I493-K495 VanDerWaalsContact C-N 3.3Å; I493-K495 PolarHBondContact O-N 3.49Å; K495-T497 VanDerWaalsContact C-N 3.35Å; K495-G498 PolarHBondContact O-N 2.9Å; K495-L500 HydrophobicContact CG-CD1 3.76Å
496E59.8Low55.9Low120 Ų12093.2 Ų93.256%0.56148%0.484SS*.Hα-helixtrans-68.5-31.2174.3-72.7-158140.400113E492 I493 K534E492-E496 PolarHBondContact O-N 3.01Å; I493-E496 PolarHBondContact O-N 2.96Å; E496-K534 IonicContact OE1-NZ 2.83Å
497T56.1Low53.8Low91 Ų9197.1 Ų97.156%0.55851%0.514SS*.THydrogen-bonded Turntrans-82.9-8.4175.158.90000113.9I493 K494 K495I493-T497 HydrophobicContact CG2-CG2 4.39Å; I493-T497 VanDerWaalsContact O-CG2 3.31Å; I493-T497 WeakPolarHBondContact O-CG2 3.33Å; I493-T497 PolarHBondContact O-N 2.93Å; I493-T497 PolarHBondContact O-OG1 3.33Å; I493-T497 VanDerWaalsContact O-OG1 3.06Å; K494-T497 WeakPolarHBondContact CA-OG1 3.27Å; K494-T497 PolarHBondContact O-OG1 2.75Å; K495-T497 VanDerWaalsContact C-N 3.35Å
498G52.8Low51.8Low59 Ų5999 Ų9961%0.60854%0.535SS*.THydrogen-bonded Turntrans77.319.7175.400000115.6K494 K495 L500K494-G498 PolarHBondContact O-N 2.79Å; K495-G498 PolarHBondContact O-N 2.9Å; G498-L500 VanDerWaalsContact C-N 3.35Å
499E47.7Very low49.9Very low154 Ų154102 Ų10272%0.7257%0.565SS**  trans-81.9-9-178.5-74.8-173.1155.500114.2K494K494-E499 PolarHBondContact O-N 2.92Å; K494-E499 VanDerWaalsContact O-N 3.08Å
500L44.2Very low48.2Very low82 Ų82107.7 Ų107.743%0.42960%0.603SS.*  trans-101.792.4176.1-75.3159.3000110.6K494 K495 G498K494-L500 HydrophobicContact CB-CD1 4.05Å; K495-L500 HydrophobicContact CG-CD1 3.76Å; G498-L500 VanDerWaalsContact C-N 3.35Å
501K35.6Very low46.6Very low191 Ų191107.2 Ų107.283%0.8362%0.616SS**  trans-80.5118.7151.2-74.2-177.5-179.6177.20107E503K501-E503 PolarHBondContact O-N 2.76Å
502P38.3Very low45Very low105 Ų105115.5 Ų115.568%0.68266%0.655SS**  trans-65.9125.3168.426-29.2000108.4D504P502-D504 PolarHBondContact O-N 2.95Å
503E32.8Very low43.8Very low198 Ų198122 Ų12293%0.92568%0.683SS**  trans-71.475.7162.1-70.9-173.8161.800108.2K501K501-E503 PolarHBondContact O-N 2.76Å
504D32.9Very low43Very low129 Ų129124.8 Ų124.869%0.6970%0.698SS**  trans-119.6132.5161.1-81.9-40.8000107.8P502 V506P502-D504 PolarHBondContact O-N 2.95Å; D504-V506 WeakPolarHBondContact O-CG2 3.42Å; D504-V506 PolarHBondContact O-N 2.86Å
505E37.6Very low41.7Very low200 Ų200124.1 Ų124.194%0.93570%0.701SS**  trans-53.396.9-180-67.7-177.9148.500111.7S507E505-S507 PolarHBondContact O-N 3.32Å
506V31.4Very low41.2Very low133 Ų133122.8 Ų122.881%0.80670%0.702SS**  trans-83.397.6170.3-168.50000108.3D504 A508D504-V506 WeakPolarHBondContact O-CG2 3.42Å; D504-V506 PolarHBondContact O-N 2.86Å; V506-A508 PolarHBondContact O-N 2.83Å; V506-A508 VanDerWaalsContact O-N 3.12Å
507S29.6Very low40.8Very low109 Ų109127 Ų12776%0.76272%0.722SS**  trans-55.6114.3155.462.40000108.2E505 G509E505-S507 PolarHBondContact O-N 3.32Å; S507-G509 PolarHBondContact O-N 2.8Å
508A30.6Very low40.2Very low98 Ų98131 Ų13181%0.8174%0.736SS**  trans-63.1104.8177.200000110.4V506V506-A508 PolarHBondContact O-N 2.83Å; V506-A508 VanDerWaalsContact O-N 3.12Å
509G33.8Very low40Very low63 Ų63130.6 Ų130.665%0.64973%0.732SS**PPolyproline II helixtrans-68.7145.116200000110.3S507S507-G509 PolarHBondContact O-N 2.8Å
510P35.2Very low40.1Very low128 Ų128127.6 Ų127.683%0.83172%0.724SS**PPolyproline II helixtrans-72.4137.9-171.229.9-33.5000111.4Q512P510-Q512 PolarHBondContact O-N 2.83Å
511A37.4Very low40.4Very low94 Ų94131.4 Ų131.478%0.77773%0.734SS**PPolyproline II helixtrans-58.7125.3172.700000111K513A511-K513 PolarHBondContact O-N 2.78Å
512Q40.6Very low40.8Very low189 Ų189126.5 Ų126.588%0.88372%0.72SS**PPolyproline II helixtrans-65.5122.2174.6-87.9-179.8-27.800110.6P510P510-Q512 PolarHBondContact O-N 2.83Å
513K42.3Very low41Very low143 Ų143126.7 Ų126.762%0.62272%0.719SS**PPolyproline II helixtrans-90.2116.7168.3-69.5178.9-179177.40108.5A511 Y521A511-K513 PolarHBondContact O-N 2.78Å; K513-Y521 HydrophobicContact CB-CD1 4.4Å; K513-Y521 HydrophobicContact CD-CD1 4.39Å
514L50.6Low41.5Very low137 Ų137126.4 Ų126.472%0.71772%0.718SS**EExtended strand (participates in β ladder)trans-92.7134.8168.3-91.2143.8000109.6
515V41.3Very low41.8Very low70 Ų70125.8 Ų125.842%0.42472%0.724SS.*EExtended strand (participates in β ladder)trans-101.3123.6174.5-179.70000106.6Y521V515-Y521 HydrophobicContact CG2-CD1 3.48Å; V515-Y521 VanDerWaalsContact CG2-CD1 3.48Å; V515-Y521 HydrophobicContact CG2-CE1 3.27Å; V515-Y521 HydrophobicContact CG2-CG 4.3Å
516T55.6Low41.9Very low86 Ų86121.3 Ų121.353%0.52872%0.721SS.*PPolyproline II helixtrans-76.2160.2171.351.90000110M518 G519T516-M518 PolarHBondContact O-N 2.84Å; T516-G519 PolarHBondContact O-N 2.8Å
517E51.1Low42.2Very low208 Ų208122.7 Ų122.797%0.97272%0.723SS**THydrogen-bonded Turntrans-56.3-5.5-175.8-75-177.9144.400115.8
518M43.1Very low42.7Very low175 Ų175123.4 Ų123.486%0.86273%0.728SS**THydrogen-bonded Turntrans-106.619.5172.2-68.3-66.6-151.500114.2T516 T520T516-M518 PolarHBondContact O-N 2.84Å; M518-T520 PolarHBondContact O-N 2.86Å
519G48.7Very low42.7Very low51 Ų51124 Ų12453%0.52673%0.726SS.*SBendtrans74.114.5163.800000117T516T516-G519 PolarHBondContact O-N 2.8Å
520T49.3Very low42.5Very low90 Ų90126.3 Ų126.355%0.55273%0.733SS**  trans-103.8128.1178.1-49.80000111M518M518-T520 PolarHBondContact O-N 2.86Å
521Y49.9Very low42.3Very low163 Ų163132 Ų13264%0.63974%0.738SS**EExtended strand (participates in β ladder)trans-78.8121.3178.8-63.6-89.5000110.8K513 V515K513-Y521 HydrophobicContact CB-CD1 4.4Å; K513-Y521 HydrophobicContact CD-CD1 4.39Å; V515-Y521 HydrophobicContact CG2-CD1 3.48Å; V515-Y521 VanDerWaalsContact CG2-CD1 3.48Å; V515-Y521 HydrophobicContact CG2-CE1 3.27Å; V515-Y521 HydrophobicContact CG2-CG 4.3Å
522V44Very low41.9Very low88 Ų88132.5 Ų132.553%0.53373%0.733SS.*EExtended strand (participates in β ladder)trans-115123.1176.3-1790000110.3
523T43.8Very low41.4Very low108 Ų108128.8 Ų128.866%0.66373%0.728SS**PPolyproline II helixtrans-94.3116.2166.746.10000108.7
524Q42.4Very low41Very low193 Ų193129.3 Ų129.390%0.90273%0.73SS**PPolyproline II helixtrans-82.7119.3-179.7-129-179.57.600110.5
525S38.6Very low40.2Very low115 Ų115132.1 Ų132.180%0.80474%0.736SS**PPolyproline II helixtrans-82.5129.4170.2-60.50000110.2L527S525-L527 PolarHBondContact O-N 2.96Å
526A41.3Very low40.2Very low106 Ų106137 Ų13788%0.87676%0.755SS**SBendtrans-76.571.6-168.900000114.4
527L37.5Very low39.8Very low162 Ų162138.8 Ų138.885%0.84876%0.757SS**  trans-142.553.9172.8-141.793.3000113.3S525S525-L527 PolarHBondContact O-N 2.96Å
528S39.2Very low40Very low125 Ų125137.2 Ų137.287%0.87476%0.755SS**  trans170.397.115335.70000109.7
529S31.1Very low41.4Very low109 Ų109132.8 Ų132.876%0.76273%0.729SS**  trans-134.6127.9155.751.60000108.6
530S29.5Very low42.9Very low113 Ų113132.4 Ų132.479%0.7972%0.717SS**  trans-45.1138.8162.836.90000109.8P532S530-P532 WeakPolarHBondContact O-CD 3.32Å
531R30.3Very low44.3Very low248 Ų248129.6 Ų129.694%0.93670%0.701SS**  trans-45110.7178.3-75.3179.6177.1176.8-2109.9
532P30.3Very low45.9Very low103 Ų103121.9 Ų121.967%0.66967%0.67SS**  trans-68.9142.2161.928.6-24.7000106.7S530 K534S530-P532 WeakPolarHBondContact O-CD 3.32Å; P532-K534 PolarHBondContact O-N 3.14Å; P532-K534 VanDerWaalsContact O-N 3.12Å
533S29.4Very low47.7Very low112 Ų112118 Ų11878%0.78365%0.646SS**  trans-43.5121167.247.10000109K535S533-K535 PolarHBondContact O-N 2.91Å
534K33.8Very low49.5Very low154 Ų154113.4 Ų113.467%0.6762%0.621SS**  trans-45.7110.7178.3-78.7-178173.7-176.40107.9E496 P532 E536E496-K534 IonicContact OE1-NZ 2.83Å; P532-K534 PolarHBondContact O-N 3.14Å; P532-K534 VanDerWaalsContact O-N 3.12Å; K534-E536 PolarHBondContact O-N 3.08Å
535K34.1Very low51.5Low195 Ų195105 Ų10585%0.84858%0.581SS**  trans-55128158.4-78.5-178.5172.7-178.40105.4S533 E537S533-K535 PolarHBondContact O-N 2.91Å; K535-E537 PolarHBondContact O-N 3.31Å
536E40.7Very low53.6Low174 Ų17499.5 Ų99.581%0.81354%0.543SS*.  trans-52.1110.6177.1-74.8177.8152.800108.7K534K534-E536 PolarHBondContact O-N 3.08Å
537E48.5Very low55.6Low122 Ų12295 Ų9557%0.5750%0.504SS*.  trans-64.2138.8175.9-74171.4154.900108.8K535 R539K535-E537 PolarHBondContact O-N 3.31Å; E537-R539 VanDerWaalsContact C-N 3.33Å; E537-R539 WeakPolarHBondContact O-CG 3.35Å; E537-R539 PolarHBondContact O-N 3.4Å; E537-R539 IonicContact OE2-NH2 3.43Å
538D54.4Low57.7Low176 Ų17689.9 Ų89.994%0.94148%0.477SS*.  trans-61.888.7-177.5-157.811.6000110.3
539R72.3Confident59.7Low81 Ų8184.5 Ų84.531%0.30644%0.441SS..  trans-99.1141-178.9-72.5167.7-173.9-178.5-3.5109E537E537-R539 VanDerWaalsContact C-N 3.33Å; E537-R539 WeakPolarHBondContact O-CG 3.35Å; E537-R539 PolarHBondContact O-N 3.4Å; E537-R539 IonicContact OE2-NH2 3.43Å
540P79.9Confident62.2Low44 Ų4482.4 Ų82.429%0.28642%0.422SS..  trans-51.5143.1167.8-28.236.5000111.5S482 L542 R543 G544S482-P540 WeakPolarHBondContact O-CB 3.35Å; P540-L542 PolarHBondContact O-N 3.3Å; P540-R543 HydrophobicContact CB-CB 4.37Å; P540-R543 WeakPolarHBondContact O-CB 3.09Å; P540-R543 PolarHBondContact O-N 3.48Å; P540-G544 PolarHBondContact O-N 2.9Å
541P79.6Confident64.9Low31 Ų3177.2 Ų77.220%0.20139%0.385CS..Hα-helixtrans-58.8-46.9-165.118.5-30.8000113.1R543 G544 F545P541-R543 VanDerWaalsContact C-N 3.32Å; P541-R543 PolarHBondContact O-N 2.68Å; P541-G544 WeakPolarHBondContact O-CA 3.19Å; P541-G544 PolarHBondContact O-N 2.71Å; P541-G544 VanDerWaalsContact O-N 3.14Å; P541-F545 HydrophobicContact CB-CE2 4.1Å; P541-F545 HydrophobicContact CB-CZ 3.96Å; P541-F545 WeakPolarHBondContact O-CD1 3.48Å; P541-F545 VanDerWaalsContact O-CD2 3.25Å; P541-F545 WeakPolarHBondContact O-CD2 3.32Å; P541-F545 WeakPolarHBondContact O-CG 3.17Å; P541-F545 PolarHBondContact O-N 2.95Å
542L82.3Confident67.5Low0 Ų070.2 Ų70.20%036%0.361CS..Hα-helixtrans-66.4-34.2-179.9-177.858.5000112.4Y455 S482 L483 P540 L546 V553 L557Y455-L542 HydrophobicContact CD1-CD1 4.44Å; Y455-L542 HydrophobicContact CE1-CB 4.23Å; Y455-L542 HydrophobicContact CE1-CD1 3.87Å; Y455-L542 HydrophobicContact CE1-CD2 4.24Å; Y455-L542 HydrophobicContact CE1-CG 4.34Å; S482-L542 WeakPolarHBondContact O-CB 3.36Å; S482-L542 PolarHBondContact O-N 3.47Å; L483-L542 HydrophobicContact CD1-CD2 4.35Å; L483-L542 HydrophobicContact CD2-CD2 3.62Å; L483-L542 HydrophobicContact CD2-CG 3.72Å; L483-L542 HydrophobicContact CG-CD2 3.63Å; L483-L542 HydrophobicContact CG-CG 4.21Å; P540-L542 PolarHBondContact O-N 3.3Å; L542-L546 VanDerWaalsContact O-CG 3.28Å; L542-L546 WeakPolarHBondContact O-CG 3.38Å; L542-L546 PolarHBondContact O-N 3.1Å; L542-V553 HydrophobicContact CD1-CG1 3.65Å; L542-L557 HydrophobicContact CD2-CD2 3.93Å
543R82.2Confident70.3Confident6 Ų665.3 Ų65.32%0.02333%0.33CS..Hα-helixtrans-68.6-38.9172.8-170.6177.1-178138.8-6.3111.5S482 L483 E485 E492 P540 P541 L546 M547S482-R543 PolarHBondContact O-N 2.84Å; L483-R543 WeakPolarHBondContact O-CD 3.49Å; E485-R543 PolarHBondContact O-NH1 2.87Å; E492-R543 IonicContact OE1-CZ 3.11Å; E492-R543 IonicContact OE1-NE 3.98Å; E492-R543 PolarHBondContact OE1-NE 2.89Å; E492-R543 IonicContact OE1-NH2 3.67Å; E492-R543 PolarHBondContact OE1-NH2 3.25Å; P540-R543 HydrophobicContact CB-CB 4.37Å; P540-R543 WeakPolarHBondContact O-CB 3.09Å; P540-R543 PolarHBondContact O-N 3.48Å; P541-R543 VanDerWaalsContact C-N 3.32Å; P541-R543 PolarHBondContact O-N 2.68Å; R543-L546 PolarHBondContact O-N 3.31Å; R543-M547 VanDerWaalsContact O-CG 3.26Å; R543-M547 WeakPolarHBondContact O-CG 3.39Å; R543-M547 PolarHBondContact O-N 2.82Å; R543-M547 VanDerWaalsContact O-N 3.1Å
544G82.4Confident73Confident13 Ų1360.1 Ų60.113%0.13429%0.294CS..Hα-helixtrans-55.6-54.8171.900000111.8P540 P541 L546 M547 D548P540-G544 PolarHBondContact O-N 2.9Å; P541-G544 WeakPolarHBondContact O-CA 3.19Å; P541-G544 PolarHBondContact O-N 2.71Å; P541-G544 VanDerWaalsContact O-N 3.14Å; G544-L546 VanDerWaalsContact C-N 3.31Å; G544-L546 PolarHBondContact O-N 2.96Å; G544-M547 PolarHBondContact O-N 2.95Å; G544-D548 PolarHBondContact O-N 2.78Å
545F83.3Confident75.6Confident15 Ų1552.9 Ų52.97%0.06626%0.262CS..Hα-helixtrans-57.6-40.7-178.7-53.1-31.1000113.2K450 V452 Y455 P541 D548 G549 D550K450-F545 WeakPolarHBondContact O-CE1 3.46Å; K450-F545 WeakPolarHBondContact O-CZ 3.13Å; V452-F545 HydrophobicContact CG2-CB 4.36Å; V452-F545 HydrophobicContact CG2-CD1 3.55Å; V452-F545 HydrophobicContact CG2-CD2 4.44Å; V452-F545 HydrophobicContact CG2-CE1 3.91Å; V452-F545 HydrophobicContact CG2-CG 3.86Å; Y455-F545 HydrophobicContact CD1-CE2 4.36Å; Y455-F545 AromaticContact CD2-CE2 3.91Å; Y455-F545 HydrophobicContact CD2-CE2 3.91Å; Y455-F545 HydrophobicContact CE2-CE2 4.5Å; Y455-F545 AromaticContact CG-CE2 3.83Å; Y455-F545 HydrophobicContact CG-CE2 3.83Å; P541-F545 HydrophobicContact CB-CE2 4.1Å; P541-F545 HydrophobicContact CB-CZ 3.96Å; P541-F545 WeakPolarHBondContact O-CD1 3.48Å; P541-F545 VanDerWaalsContact O-CD2 3.25Å; P541-F545 WeakPolarHBondContact O-CD2 3.32Å; P541-F545 WeakPolarHBondContact O-CG 3.17Å; P541-F545 PolarHBondContact O-N 2.95Å; F545-D548 PolarHBondContact O-N 2.92Å; F545-G549 PolarHBondContact O-N 3.34Å; F545-D550 PolarHBondContact O-N 3.23Å
546L84.6Confident78.2Confident1 Ų144.4 Ų44.41%0.00523%0.228CC..Hα-helixtrans-68.6-37.1177.9-65.9173.6000112.4L483 L542 R543 G544 D548 G549 F551 A554 V592 L595L483-L546 HydrophobicContact CD2-CD1 3.98Å; L542-L546 VanDerWaalsContact O-CG 3.28Å; L542-L546 WeakPolarHBondContact O-CG 3.38Å; L542-L546 PolarHBondContact O-N 3.1Å; R543-L546 PolarHBondContact O-N 3.31Å; G544-L546 VanDerWaalsContact C-N 3.31Å; G544-L546 PolarHBondContact O-N 2.96Å; L546-D548 VanDerWaalsContact C-N 3.34Å; L546-G549 PolarHBondContact O-N 2.97Å; L546-F551 HydrophobicContact CD2-CD1 4.11Å; L546-F551 HydrophobicContact CD2-CE1 4.21Å; L546-A554 HydrophobicContact CD2-CB 3.86Å; L546-V592 HydrophobicContact CD1-CG1 4.26Å; L546-V592 HydrophobicContact CD1-CG2 4.11Å; L546-V592 HydrophobicContact CD2-CG1 4.04Å; L546-L595 HydrophobicContact CB-CD2 3.84Å; L546-L595 HydrophobicContact CD1-CD2 4.21Å
547M82.8Confident80.6Confident11 Ų1136.3 Ų36.35%0.05419%0.19CC..Hα-helixtrans-71.3-31175.7-68.9-63.3-72.900112E492 R543 G544 G549 L595 L600 P601 K602E492-M547 HydrophobicContact CG-CE 4.35Å; E492-M547 HydrophobicContact CG-SD 4.3Å; R543-M547 VanDerWaalsContact O-CG 3.26Å; R543-M547 WeakPolarHBondContact O-CG 3.39Å; R543-M547 PolarHBondContact O-N 2.82Å; R543-M547 VanDerWaalsContact O-N 3.1Å; G544-M547 PolarHBondContact O-N 2.95Å; M547-G549 PolarHBondContact O-N 2.98Å; M547-L595 HydrophobicContact SD-CD1 4.12Å; M547-L600 HydrophobicContact CE-CB 4.4Å; M547-P601 WeakPolarHBondContact O-CA 3.22Å; M547-K602 PolarHBondContact O-N 3.26Å
548D81.9Confident82.6Confident55 Ų5530.6 Ų30.629%0.29416%0.164SC..Hα-helixtrans-74.4-13.3174.4-69.1-32.7000113.3G544 F545 L546 K602G544-D548 PolarHBondContact O-N 2.78Å; F545-D548 PolarHBondContact O-N 2.92Å; L546-D548 VanDerWaalsContact C-N 3.34Å; D548-K602 WeakPolarHBondContact OD1-CE 3.47Å; D548-K602 IonicContact OD1-NZ 3.72Å; D548-K602 PolarHBondContact OD1-NZ 3.19Å
549G80.2Confident84.3Confident11 Ų1123.2 Ų23.211%0.11313%0.125CC..THydrogen-bonded Turntrans98.413.9172.500000114.9F545 L546 M547 F551F545-G549 PolarHBondContact O-N 3.34Å; L546-G549 PolarHBondContact O-N 2.97Å; M547-G549 PolarHBondContact O-N 2.98Å; G549-F551 WeakPolarHBondContact O-CD2 3.43Å; G549-F551 PolarHBondContact O-N 3.44Å; G549-F551 VanDerWaalsContact O-N 3.12Å
550D83.5Confident85.2Confident66 Ų6619.6 Ų19.635%0.35311%0.112SC..  trans-8672.5178.8-71.6-45.8000112V452 F545 F552 V553V452-D550 HydrophobicContact CG1-CB 3.99Å; F545-D550 PolarHBondContact O-N 3.23Å; D550-F552 PolarHBondContact O-N 3.47Å; D550-V553 PolarHBondContact O-N 3.22Å
551F85.5Confident85.7Confident3 Ų317.5 Ų17.51%0.01310%0.098CC..THydrogen-bonded Turntrans-72.2-11-178.2-70.7-79.4000115.1L546 G549 V553 A554 A555 G596 P601 K603 I605 D609L546-F551 HydrophobicContact CD2-CD1 4.11Å; L546-F551 HydrophobicContact CD2-CE1 4.21Å; G549-F551 WeakPolarHBondContact O-CD2 3.43Å; G549-F551 PolarHBondContact O-N 3.44Å; G549-F551 VanDerWaalsContact O-N 3.12Å; F551-V553 PolarHBondContact O-N 3.13Å; F551-A554 HydrophobicContact CD1-CB 4.42Å; F551-A554 WeakPolarHBondContact O-CA 3.25Å; F551-A554 WeakPolarHBondContact O-CB 3.33Å; F551-A554 PolarHBondContact O-N 3.19Å; F551-A555 PolarHBondContact O-N 3.3Å; F551-A555 VanDerWaalsContact O-N 3.13Å; F551-G596 VanDerWaalsContact CE1-CA 3.42Å; F551-G596 VanDerWaalsContact CZ-CA 3.47Å; F551-P601 HydrophobicContact CE2-CB 4.21Å; F551-P601 HydrophobicContact CE2-CG 4.45Å; F551-P601 HydrophobicContact CZ-CB 4.01Å; F551-P601 HydrophobicContact CZ-CG 3.83Å; F551-K603 VanDerWaalsContact CE2-O 3.3Å; F551-K603 WeakPolarHBondContact CE2-O 3.17Å; F551-I605 HydrophobicContact CB-CB 4.4Å; F551-I605 HydrophobicContact CB-CD1 4.25Å; F551-I605 HydrophobicContact CB-CG1 3.74Å; F551-I605 HydrophobicContact CD1-CB 3.99Å; F551-I605 HydrophobicContact CD1-CD1 3.74Å; F551-I605 HydrophobicContact CD1-CG1 3.8Å; F551-I605 VanDerWaalsContact CD2-CA 3.48Å; F551-I605 HydrophobicContact CD2-CB 3.91Å; F551-I605 HydrophobicContact CD2-CG1 4.2Å; F551-I605 HydrophobicContact CE1-CB 4.28Å; F551-I605 HydrophobicContact CE1-CD1 4.42Å; F551-I605 HydrophobicContact CE2-CB 4.21Å; F551-I605 HydrophobicContact CG-CB 3.8Å; F551-I605 HydrophobicContact CG-CD1 4.08Å; F551-I605 HydrophobicContact CG-CG1 3.62Å; F551-I605 HydrophobicContact CZ-CB 4.4Å; F551-D609 HydrophobicContact CB-CB 4.26Å; F551-D609 WeakPolarHBondContact CB-OD2 3.46Å
552F86.6Confident86.2Confident101 Ų10116 Ų1644%0.4439%0.089SC..Hα-helixtrans-62.5-30.2173.8-165.8-108.1000112.6R456 D550 A554 A555 S556R456-F552 VanDerWaalsContact CD-CD1 3.43Å; D550-F552 PolarHBondContact O-N 3.47Å; F552-A554 VanDerWaalsContact C-N 3.31Å; F552-A555 PolarHBondContact O-N 3.4Å; F552-S556 PolarHBondContact O-N 3.31Å; F552-S556 VanDerWaalsContact O-N 3.14Å
553V87.4Confident86.6Confident1 Ų116.4 Ų16.41%0.0069%0.09CC..Hα-helixtrans-67.1-34.7172.3-179.50000110.9V452 Y455 R456 L459 L542 D550 F551 S556 L557V452-V553 HydrophobicContact CB-CG2 4.44Å; V452-V553 HydrophobicContact CG1-CG2 3.27Å; Y455-V553 HydrophobicContact CD1-CG1 4.01Å; R456-V553 HydrophobicContact CB-CG2 4.5Å; L459-V553 HydrophobicContact CD1-CG1 4.06Å; L542-V553 HydrophobicContact CD1-CG1 3.65Å; D550-V553 PolarHBondContact O-N 3.22Å; F551-V553 PolarHBondContact O-N 3.13Å; V553-S556 PolarHBondContact O-N 3.01Å; V553-L557 WeakPolarHBondContact O-CB 3.22Å; V553-L557 PolarHBondContact O-N 2.85Å
554A87.1Confident86.9Confident3 Ų316.1 Ų16.13%0.0259%0.089CC..Hα-helixtrans-62.7-43.7174.300000112.2L546 F551 F552 S556 L557 A558 V592 I613L546-A554 HydrophobicContact CD2-CB 3.86Å; F551-A554 HydrophobicContact CD1-CB 4.42Å; F551-A554 WeakPolarHBondContact O-CA 3.25Å; F551-A554 WeakPolarHBondContact O-CB 3.33Å; F551-A554 PolarHBondContact O-N 3.19Å; F552-A554 VanDerWaalsContact C-N 3.31Å; A554-S556 VanDerWaalsContact C-N 3.32Å; A554-S556 PolarHBondContact O-N 3.44Å; A554-L557 WeakPolarHBondContact O-CB 3.45Å; A554-L557 PolarHBondContact O-N 3.2Å; A554-A558 WeakPolarHBondContact O-CB 3.44Å; A554-A558 PolarHBondContact O-N 3.06Å; A554-V592 HydrophobicContact CB-CG1 3.44Å; A554-V592 VanDerWaalsContact CB-CG1 3.44Å; A554-I613 HydrophobicContact CB-CD1 3.97Å
555A88.8Confident87.2Confident1 Ų115.5 Ų15.51%0.0088%0.083CC..Hα-helixtrans-63-39.2176.500000111.9F551 F552 T559 D609 R612F551-A555 PolarHBondContact O-N 3.3Å; F551-A555 VanDerWaalsContact O-N 3.13Å; F552-A555 PolarHBondContact O-N 3.4Å; A555-T559 PolarHBondContact O-N 3.3Å; A555-T559 VanDerWaalsContact O-N 3.09Å; A555-T559 PolarHBondContact O-OG1 2.86Å; A555-D609 HydrophobicContact CB-CB 4.49Å; A555-R612 HydrophobicContact CB-CB 4.33Å; A555-R612 HydrophobicContact CB-CG 4.35Å
556S89.3Confident87.4Confident18 Ų1815.1 Ų15.113%0.1268%0.082CC..Hα-helixtrans-65-43.2173.1-169.50000112.1F552 V553 A554 T559 T560F552-S556 PolarHBondContact O-N 3.31Å; F552-S556 VanDerWaalsContact O-N 3.14Å; V553-S556 PolarHBondContact O-N 3.01Å; A554-S556 VanDerWaalsContact C-N 3.32Å; A554-S556 PolarHBondContact O-N 3.44Å; S556-T559 PolarHBondContact O-N 3.47Å; S556-T560 WeakPolarHBondContact O-CB 3.49Å; S556-T560 PolarHBondContact O-N 3.44Å; S556-T560 PolarHBondContact O-OG1 2.97Å
557L90.1Very high87.5Confident3 Ų315.9 Ų15.92%0.0168%0.084CC..Hα-helixtrans-60.9-45.1176.2179.866.5000111.4L459 V479 L542 V553 A554 T559 T560 L561 I588L459-L557 HydrophobicContact CD1-CB 4.2Å; L459-L557 HydrophobicContact CD1-CD1 4.25Å; L459-L557 HydrophobicContact CD2-CD1 3.81Å; V479-L557 HydrophobicContact CG1-CD1 3.79Å; V479-L557 HydrophobicContact CG1-CD2 4.42Å; V479-L557 HydrophobicContact CG2-CD1 3.96Å; L542-L557 HydrophobicContact CD2-CD2 3.93Å; V553-L557 WeakPolarHBondContact O-CB 3.22Å; V553-L557 PolarHBondContact O-N 2.85Å; A554-L557 WeakPolarHBondContact O-CB 3.45Å; A554-L557 PolarHBondContact O-N 3.2Å; L557-T559 VanDerWaalsContact C-N 3.34Å; L557-T559 PolarHBondContact O-N 2.92Å; L557-T560 WeakPolarHBondContact O-CB 3.5Å; L557-T560 PolarHBondContact O-N 2.91Å; L557-L561 HydrophobicContact CD1-CD1 4.26Å; L557-L561 HydrophobicContact CD1-CG 4.19Å; L557-L561 HydrophobicContact CG-CD1 4.02Å; L557-L561 HydrophobicContact CG-CG 4.35Å; L557-L561 WeakPolarHBondContact O-CB 3.18Å; L557-L561 WeakPolarHBondContact O-CG 3.42Å; L557-L561 PolarHBondContact O-N 2.86Å; L557-I588 HydrophobicContact CD2-CG2 4.21Å
558A90.6Very high87.7Confident3 Ų315.6 Ų15.63%0.0258%0.083CC..Hα-helixtrans-61.7-42.3177.600000111.9A554 T560 T562 M589 I613 C616A554-A558 WeakPolarHBondContact O-CB 3.44Å; A554-A558 PolarHBondContact O-N 3.06Å; A558-T560 VanDerWaalsContact C-N 3.34Å; A558-T560 PolarHBondContact O-N 3.39Å; A558-T562 WeakPolarHBondContact O-CB 3.47Å; A558-T562 PolarHBondContact O-N 3.49Å; A558-T562 PolarHBondContact O-OG1 3.42Å; A558-M589 HydrophobicContact CB-CE 4.38Å; A558-M589 HydrophobicContact CB-CG 4.01Å; A558-M589 HydrophobicContact CB-SD 4.11Å; A558-M589 VanDerWaalsContact O-CE 3.28Å; A558-M589 WeakPolarHBondContact O-CE 3.45Å; A558-I613 HydrophobicContact CB-CB 4.25Å; A558-I613 HydrophobicContact CB-CG1 3.86Å; A558-I613 HydrophobicContact CB-CG2 4.08Å; A558-C616 HydrophobicContact CB-CB 4.1Å
559T90.8Very high87.9Confident21 Ų2115.3 Ų15.313%0.1298%0.083CC..Hα-helixtrans-61.5-44.1174.7-56.60000111A555 S556 L557 T562 K563 F631A555-T559 PolarHBondContact O-N 3.3Å; A555-T559 VanDerWaalsContact O-N 3.09Å; A555-T559 PolarHBondContact O-OG1 2.86Å; S556-T559 PolarHBondContact O-N 3.47Å; L557-T559 VanDerWaalsContact C-N 3.34Å; L557-T559 PolarHBondContact O-N 2.92Å; T559-T562 PolarHBondContact O-N 2.89Å; T559-K563 WeakPolarHBondContact O-CG 3.37Å; T559-K563 PolarHBondContact O-N 3.28Å; T559-K563 VanDerWaalsContact O-N 3.1Å; T559-F631 HydrophobicContact CG2-CE1 4.11Å
560T90.4Very high88.1Confident4 Ų418.7 Ų18.73%0.02511%0.105CC..Hα-helixtrans-62-52.5179.5-60.80000111.2L459 S556 L557 A558 T562 K563 L564L459-T560 HydrophobicContact CD2-CG2 4.44Å; L459-T560 VanDerWaalsContact O-CG2 3.32Å; L459-T560 WeakPolarHBondContact O-CG2 3.3Å; L459-T560 PolarHBondContact O-OG1 3.08Å; S556-T560 WeakPolarHBondContact O-CB 3.49Å; S556-T560 PolarHBondContact O-N 3.44Å; S556-T560 PolarHBondContact O-OG1 2.97Å; L557-T560 WeakPolarHBondContact O-CB 3.5Å; L557-T560 PolarHBondContact O-N 2.91Å; A558-T560 VanDerWaalsContact C-N 3.34Å; A558-T560 PolarHBondContact O-N 3.39Å; T560-T562 VanDerWaalsContact C-N 3.27Å; T560-T562 PolarHBondContact O-N 2.92Å; T560-K563 PolarHBondContact O-N 2.97Å; T560-L564 HydrophobicContact CG2-CD1 4.03Å; T560-L564 WeakPolarHBondContact O-CG 3.33Å; T560-L564 PolarHBondContact O-N 3.48Å
561L90.6Very high88.3Confident1 Ų119 Ų191%0.00511%0.106CC..Hα-helixtrans-60.9-36.5177.9-71.3176.4000112M476 L557 L564 A565 A585 I588 M589M476-L561 HydrophobicContact CE-CD2 4.45Å; M476-L561 HydrophobicContact SD-CD2 3.67Å; L557-L561 HydrophobicContact CD1-CD1 4.26Å; L557-L561 HydrophobicContact CD1-CG 4.19Å; L557-L561 HydrophobicContact CG-CD1 4.02Å; L557-L561 HydrophobicContact CG-CG 4.35Å; L557-L561 WeakPolarHBondContact O-CB 3.18Å; L557-L561 WeakPolarHBondContact O-CG 3.42Å; L557-L561 PolarHBondContact O-N 2.86Å; L561-L564 PolarHBondContact O-N 3.35Å; L561-A565 WeakPolarHBondContact O-CB 3.15Å; L561-A565 PolarHBondContact O-N 2.68Å; L561-A585 HydrophobicContact CB-CB 4.28Å; L561-I588 HydrophobicContact CD1-CB 4.09Å; L561-I588 HydrophobicContact CD1-CD1 4.35Å; L561-I588 HydrophobicContact CD1-CG2 3.81Å; L561-M589 HydrophobicContact CB-CE 3.59Å; L561-M589 HydrophobicContact CD1-CE 4.42Å
562T90.7Very high88.4Confident0 Ų019.5 Ų19.50%011%0.109CC..Hα-helixtrans-62.6-47.4175.8-57.70000111.5A558 T559 T560 A565 L566 M589 C616 V619 L620 F631A558-T562 WeakPolarHBondContact O-CB 3.47Å; A558-T562 PolarHBondContact O-N 3.49Å; A558-T562 PolarHBondContact O-OG1 3.42Å; T559-T562 PolarHBondContact O-N 2.89Å; T560-T562 VanDerWaalsContact C-N 3.27Å; T560-T562 PolarHBondContact O-N 2.92Å; T562-A565 PolarHBondContact O-N 3.21Å; T562-L566 HydrophobicContact CG2-CD1 3.96Å; T562-L566 HydrophobicContact CG2-CG 4.48Å; T562-L566 WeakPolarHBondContact O-CB 3.33Å; T562-L566 VanDerWaalsContact O-CG 3.27Å; T562-L566 WeakPolarHBondContact O-CG 3.39Å; T562-L566 PolarHBondContact O-N 2.97Å; T562-M589 WeakPolarHBondContact OG1-CE 3.4Å; T562-C616 VanDerWaalsContact OG1-CB 3.27Å; T562-C616 WeakPolarHBondContact OG1-CB 2.97Å; T562-V619 HydrophobicContact CG2-CB 4.28Å; T562-V619 HydrophobicContact CG2-CG1 3.8Å; T562-L620 HydrophobicContact CG2-CD2 4.04Å; T562-L620 HydrophobicContact CG2-CG 4.14Å; T562-F631 HydrophobicContact CG2-CD1 4.16Å; T562-F631 HydrophobicContact CG2-CE1 4.13Å
563K89.4Confident88.2Confident7 Ų723.9 Ų23.93%0.0313%0.131CC..Hα-helixtrans-60-48176.3-69.4179.4177.9-174.90111.6E464 T559 T560 A565 L566 R567 F631E464-K563 IonicContact OE2-NZ 3.07Å; E464-K563 PolarHBondContact OE2-NZ 2.92Å; T559-K563 WeakPolarHBondContact O-CG 3.37Å; T559-K563 PolarHBondContact O-N 3.28Å; T559-K563 VanDerWaalsContact O-N 3.1Å; T560-K563 PolarHBondContact O-N 2.97Å; K563-A565 PolarHBondContact O-N 3.02Å; K563-L566 PolarHBondContact O-N 3.16Å; K563-R567 VanDerWaalsContact O-CB 3.28Å; K563-R567 WeakPolarHBondContact O-CB 3.29Å; K563-R567 PolarHBondContact O-N 3.05Å; K563-F631 WeakPolarHBondContact CE-O 3.27Å; K563-F631 HydrophobicContact CG-CB 4.22Å; K563-F631 HydrophobicContact CG-CD1 3.87Å
564L89.1Confident88.3Confident0 Ų027.1 Ų27.10%015%0.148CC..Hα-helixtrans-62.4-42.9180-68.1173.6000111.8C466 I472 V475 T560 L561 R567 Y568 F581C466-L564 HydrophobicContact CB-CD2 4.05Å; I472-L564 HydrophobicContact CG1-CD2 4Å; I472-L564 HydrophobicContact CG2-CB 4.17Å; I472-L564 HydrophobicContact CG2-CD2 4.33Å; V475-L564 HydrophobicContact CB-CD1 4.22Å; V475-L564 HydrophobicContact CG1-CD1 3.63Å; T560-L564 HydrophobicContact CG2-CD1 4.03Å; T560-L564 WeakPolarHBondContact O-CG 3.33Å; T560-L564 PolarHBondContact O-N 3.48Å; L561-L564 PolarHBondContact O-N 3.35Å; L564-R567 PolarHBondContact O-N 3.33Å; L564-Y568 VanDerWaalsContact O-CB 3.25Å; L564-Y568 WeakPolarHBondContact O-CB 3.39Å; L564-Y568 PolarHBondContact O-N 3.43Å; L564-F581 HydrophobicContact CB-CE1 4.47Å
565A88.9Confident88.2Confident1 Ų134.3 Ų34.31%0.00818%0.179CC..Hα-helixtrans-66-46.7178.700000112.1L561 T562 K563 R567 Y568 V569 F581 V582 L620L561-A565 WeakPolarHBondContact O-CB 3.15Å; L561-A565 PolarHBondContact O-N 2.68Å; T562-A565 PolarHBondContact O-N 3.21Å; K563-A565 PolarHBondContact O-N 3.02Å; A565-R567 VanDerWaalsContact C-N 3.28Å; A565-R567 PolarHBondContact O-N 3.2Å; A565-Y568 PolarHBondContact O-N 3.03Å; A565-V569 VanDerWaalsContact O-CG2 3.27Å; A565-V569 WeakPolarHBondContact O-CG2 3.41Å; A565-V569 PolarHBondContact O-N 3.18Å; A565-F581 HydrophobicContact CB-CD1 4.02Å; A565-F581 HydrophobicContact CB-CE1 3.97Å; A565-V582 HydrophobicContact CB-CG2 4.31Å; A565-L620 HydrophobicContact CB-CD2 3.72Å
566L87.8Confident88.3Confident7 Ų742.6 Ų42.64%0.03722%0.215CC..Hα-helixtrans-60.8-39.3175.7-68.9172.1000111.7T562 K563 S570 V619 L620 F631T562-L566 HydrophobicContact CG2-CD1 3.96Å; T562-L566 HydrophobicContact CG2-CG 4.48Å; T562-L566 WeakPolarHBondContact O-CB 3.33Å; T562-L566 VanDerWaalsContact O-CG 3.27Å; T562-L566 WeakPolarHBondContact O-CG 3.39Å; T562-L566 PolarHBondContact O-N 2.97Å; K563-L566 PolarHBondContact O-N 3.16Å; L566-S570 PolarHBondContact O-N 3.24Å; L566-V619 HydrophobicContact CD1-CG1 4.05Å; L566-L620 HydrophobicContact CD2-CD2 4.49Å; L566-L620 HydrophobicContact CG-CD2 4.34Å; L566-F631 HydrophobicContact CD1-CB 4.24Å
567R86.8Confident88.1Confident16 Ų1646.7 Ų46.76%0.0623%0.23CC..Hα-helixtrans-68.9-43176.2-167.5176.3-61144.97111.9G463 E464 C466 I472 K563 L564 A565 V569 S570 I571 N632G463-R567 PolarHBondContact O-NH1 2.98Å; G463-R567 PolarHBondContact O-NH2 2.9Å; E464-R567 PolarHBondContact O-NH1 3.05Å; E464-R567 PolarHBondContact O-NH2 3.14Å; C466-R567 VanDerWaalsContact O-CD 3.32Å; C466-R567 WeakPolarHBondContact O-CD 3.23Å; C466-R567 PolarHBondContact O-NH1 3.1Å; I472-R567 HydrophobicContact CD1-CG 4.25Å; K563-R567 VanDerWaalsContact O-CB 3.28Å; K563-R567 WeakPolarHBondContact O-CB 3.29Å; K563-R567 PolarHBondContact O-N 3.05Å; L564-R567 PolarHBondContact O-N 3.33Å; A565-R567 VanDerWaalsContact C-N 3.28Å; A565-R567 PolarHBondContact O-N 3.2Å; R567-V569 VanDerWaalsContact C-N 3.3Å; R567-V569 PolarHBondContact O-N 3.03Å; R567-S570 PolarHBondContact O-N 3.26Å; R567-S570 PolarHBondContact O-OG 3.36Å; R567-I571 HydrophobicContact CG-CD1 3.85Å; R567-I571 WeakPolarHBondContact O-CG1 3.44Å; R567-I571 PolarHBondContact O-N 2.78Å; R567-I571 VanDerWaalsContact O-N 3.09Å; R567-N632 PolarHBondContact NE-OD1 3.03Å; R567-N632 PolarHBondContact NH2-OD1 3.18Å
568Y87.1Confident88Confident5 Ų547.8 Ų47.82%0.0224%0.235CC..Hα-helixtrans-60.3-40.5176.6-170.9-97.5000111.8K469 I472 Q473 L564 A565 S570 I571 V572 K577 F581K469-Y568 HydrophobicContact CG-CE2 3.9Å; I472-Y568 HydrophobicContact CG2-CD2 3.97Å; Q473-Y568 HydrophobicContact CG-CE2 4.12Å; L564-Y568 VanDerWaalsContact O-CB 3.25Å; L564-Y568 WeakPolarHBondContact O-CB 3.39Å; L564-Y568 PolarHBondContact O-N 3.43Å; A565-Y568 PolarHBondContact O-N 3.03Å; Y568-S570 VanDerWaalsContact C-N 3.29Å; Y568-S570 PolarHBondContact O-N 3.46Å; Y568-I571 PolarHBondContact O-N 3.44Å; Y568-V572 HydrophobicContact CD1-CB 4.47Å; Y568-V572 HydrophobicContact CD1-CG2 4.29Å; Y568-V572 HydrophobicContact CD2-CG2 3.99Å; Y568-V572 HydrophobicContact CE1-CB 4.16Å; Y568-V572 HydrophobicContact CE1-CG1 4.41Å; Y568-V572 HydrophobicContact CE1-CG2 3.94Å; Y568-V572 HydrophobicContact CE2-CG2 3.61Å; Y568-V572 HydrophobicContact CG-CG2 4.32Å; Y568-V572 WeakPolarHBondContact O-CB 3.31Å; Y568-V572 PolarHBondContact O-N 3.03Å; Y568-K577 HydrophobicContact CE1-CB 4.5Å; Y568-F581 HydrophobicContact CD1-CB 3.77Å; Y568-F581 HydrophobicContact CD1-CD1 4.12Å; Y568-F581 HydrophobicContact CD1-CD2 4.44Å; Y568-F581 AromaticContact CD1-CG 3.85Å; Y568-F581 HydrophobicContact CD1-CG 3.85Å; Y568-F581 HydrophobicContact CE1-CB 3.78Å; Y568-F581 HydrophobicContact CE1-CD2 4.48Å; Y568-F581 HydrophobicContact CE1-CG 4.13Å; Y568-F581 HydrophobicContact CG-CD1 4.15Å; Y568-F581 HydrophobicContact CG-CD2 4.47Å; Y568-F581 HydrophobicContact CG-CG 4.12Å
569V86.4Confident87.8Confident49 Ų4952.6 Ų52.630%0.29726%0.261SS..Hα-helixtrans-61.5-36.9173.8172.60000111.9A565 R567 Q578 V582A565-V569 VanDerWaalsContact O-CG2 3.27Å; A565-V569 WeakPolarHBondContact O-CG2 3.41Å; A565-V569 PolarHBondContact O-N 3.18Å; R567-V569 VanDerWaalsContact C-N 3.3Å; R567-V569 PolarHBondContact O-N 3.03Å; V569-Q578 HydrophobicContact CG2-CB 4.24Å; V569-Q578 HydrophobicContact CG2-CG 4.37Å; V569-Q578 PolarHBondContact O-NE2 3.27Å; V569-Q578 VanDerWaalsContact O-NE2 3.14Å; V569-V582 HydrophobicContact CG2-CG2 3.9Å
570S84.3Confident87.8Confident83 Ų8355.3 Ų55.358%0.5828%0.28SS*.Hα-helixtrans-72.8-28.3177.473.60000114.2L566 R567 Y568L566-S570 PolarHBondContact O-N 3.24Å; R567-S570 PolarHBondContact O-N 3.26Å; R567-S570 PolarHBondContact O-OG 3.36Å; Y568-S570 VanDerWaalsContact C-N 3.29Å; Y568-S570 PolarHBondContact O-N 3.46Å
571I86.1Confident87.7Confident72 Ų7255.6 Ų55.637%0.36928%0.282SS..Hα-helixtrans-90.9-45.9-175.3-64.9165.5000111.7S467 I472 R567 Y568S467-I571 WeakPolarHBondContact O-CD1 3.49Å; I472-I571 HydrophobicContact CD1-CD1 3.93Å; R567-I571 HydrophobicContact CG-CD1 3.85Å; R567-I571 WeakPolarHBondContact O-CG1 3.44Å; R567-I571 PolarHBondContact O-N 2.78Å; R567-I571 VanDerWaalsContact O-N 3.09Å; Y568-I571 PolarHBondContact O-N 3.44Å
572V87.4Confident87.7Confident14 Ų1456.5 Ų56.59%0.08529%0.287CS..  trans-89.1125.6-172.8176.40000109.7K469 Y568 D574 K577 Q578K469-V572 HydrophobicContact CD-CG2 3.94Å; K469-V572 HydrophobicContact CG-CG2 4.02Å; Y568-V572 HydrophobicContact CD1-CB 4.47Å; Y568-V572 HydrophobicContact CD1-CG2 4.29Å; Y568-V572 HydrophobicContact CD2-CG2 3.99Å; Y568-V572 HydrophobicContact CE1-CB 4.16Å; Y568-V572 HydrophobicContact CE1-CG1 4.41Å; Y568-V572 HydrophobicContact CE1-CG2 3.94Å; Y568-V572 HydrophobicContact CE2-CG2 3.61Å; Y568-V572 HydrophobicContact CG-CG2 4.32Å; Y568-V572 WeakPolarHBondContact O-CB 3.31Å; Y568-V572 PolarHBondContact O-N 3.03Å; V572-D574 HydrophobicContact CG1-CB 4.12Å; V572-K577 HydrophobicContact CG1-CB 4.31Å; V572-Q578 PolarHBondContact O-NE2 3.25Å
573Q82.9Confident87.6Confident192 Ų19259.3 Ų59.390%0.89731%0.31SS*.  trans-80.5-18.8179.4-63.1-172.9-400114K575Q573-K575 PolarHBondContact O-N 3.42Å
574D90Very high87.6Confident70 Ų7061.3 Ų61.337%0.37432%0.32SS..  trans-79106.2-177.8-179.6-0.3000112.2V572 K576 K577 Q578V572-D574 HydrophobicContact CG1-CB 4.12Å; D574-K576 VanDerWaalsContact C-N 3.25Å; D574-K576 PolarHBondContact O-N 2.95Å; D574-K576 WeakPolarHBondContact OD1-CB 3.4Å; D574-K576 PolarHBondContact OD1-N 2.72Å; D574-K577 HydrophobicContact CB-CB 4.36Å; D574-K577 HydrophobicContact CB-CD 4.33Å; D574-K577 HydrophobicContact CB-CG 4.46Å; D574-K577 PolarHBondContact O-N 3.06Å; D574-K577 VanDerWaalsContact O-N 3.17Å; D574-K577 WeakPolarHBondContact OD2-CD 3.37Å; D574-K577 WeakPolarHBondContact OD2-CE 3.3Å; D574-K577 WeakPolarHBondContact OD2-CG 3.22Å; D574-Q578 WeakPolarHBondContact O-CG 3.28Å; D574-Q578 PolarHBondContact O-N 3.16Å
575K85.4Confident87.7Confident154 Ų15461.3 Ų61.367%0.6732%0.32SS*.Hα-helixtrans-54.1-34.2178.2-105.2179.8177176.70114.4Q573 Q578 N579Q573-K575 PolarHBondContact O-N 3.42Å; K575-Q578 PolarHBondContact O-N 3.22Å; K575-N579 WeakPolarHBondContact O-CB 3.48Å; K575-N579 VanDerWaalsContact O-CG 3.24Å; K575-N579 PolarHBondContact O-N 2.79Å
576K89.4Confident87.8Confident175 Ų17563.9 Ų63.976%0.76133%0.332SS*.Hα-helixtrans-68.3-42.3-178.6-171.7177.7179.3-179.20110.6D574 S580D574-K576 VanDerWaalsContact C-N 3.25Å; D574-K576 PolarHBondContact O-N 2.95Å; D574-K576 WeakPolarHBondContact OD1-CB 3.4Å; D574-K576 PolarHBondContact OD1-N 2.72Å; K576-S580 WeakPolarHBondContact O-CB 3.36Å; K576-S580 PolarHBondContact O-N 3.19Å
577K86.8Confident87.9Confident103 Ų10367.8 Ų67.845%0.44835%0.352SS..Hα-helixtrans-70.6-37.2177.1-69.3178.7-172.5176.20111.9Y568 V572 D574 S580 F581Y568-K577 HydrophobicContact CE1-CB 4.5Å; V572-K577 HydrophobicContact CG1-CB 4.31Å; D574-K577 HydrophobicContact CB-CB 4.36Å; D574-K577 HydrophobicContact CB-CD 4.33Å; D574-K577 HydrophobicContact CB-CG 4.46Å; D574-K577 PolarHBondContact O-N 3.06Å; D574-K577 VanDerWaalsContact O-N 3.17Å; D574-K577 WeakPolarHBondContact OD2-CD 3.37Å; D574-K577 WeakPolarHBondContact OD2-CE 3.3Å; D574-K577 WeakPolarHBondContact OD2-CG 3.22Å; K577-S580 PolarHBondContact O-N 3.04Å; K577-F581 WeakPolarHBondContact O-CB 3.35Å; K577-F581 PolarHBondContact O-N 3.34Å; K577-F581 VanDerWaalsContact O-N 3.08Å
578Q86.3Confident88Confident26 Ų2667.1 Ų67.112%0.12135%0.35CS..Hα-helixtrans-56.9-55.3172.2-69176.3-10.300110.9V569 V572 D574 K575 S580 F581 V582V569-Q578 HydrophobicContact CG2-CB 4.24Å; V569-Q578 HydrophobicContact CG2-CG 4.37Å; V569-Q578 PolarHBondContact O-NE2 3.27Å; V569-Q578 VanDerWaalsContact O-NE2 3.14Å; V572-Q578 PolarHBondContact O-NE2 3.25Å; D574-Q578 WeakPolarHBondContact O-CG 3.28Å; D574-Q578 PolarHBondContact O-N 3.16Å; K575-Q578 PolarHBondContact O-N 3.22Å; Q578-S580 VanDerWaalsContact C-N 3.31Å; Q578-S580 PolarHBondContact O-N 2.83Å; Q578-F581 PolarHBondContact O-N 3.03Å; Q578-V582 WeakPolarHBondContact O-CG2 3.42Å; Q578-V582 PolarHBondContact O-N 2.96Å
579N88.2Confident88.1Confident105 Ų10567 Ų6756%0.56135%0.35SS*.Hα-helixtrans-62.7-38.6-177.9-69.4-8.4000112.1K575 A583K575-N579 WeakPolarHBondContact O-CB 3.48Å; K575-N579 VanDerWaalsContact O-CG 3.24Å; K575-N579 PolarHBondContact O-N 2.79Å; N579-A583 WeakPolarHBondContact O-CB 3.29Å; N579-A583 PolarHBondContact O-N 3.46Å
580S89.9Confident88.2Confident77 Ų7768.3 Ų68.354%0.53836%0.358SS..Hα-helixtrans-60.3-45.3175.6-1700000111.9K576 K577 Q578 E584K576-S580 WeakPolarHBondContact O-CB 3.36Å; K576-S580 PolarHBondContact O-N 3.19Å; K577-S580 PolarHBondContact O-N 3.04Å; Q578-S580 VanDerWaalsContact C-N 3.31Å; Q578-S580 PolarHBondContact O-N 2.83Å; S580-E584 WeakPolarHBondContact O-CB 3.32Å; S580-E584 PolarHBondContact O-N 3.41Å
581F89.2Confident88.4Confident11 Ų1164.9 Ų64.95%0.04833%0.333CS..Hα-helixtrans-68.4-43.6-179.2-170.3-88.4000112I472 M476 L564 A565 Y568 K577 Q578 E584 A585I472-F581 HydrophobicContact CG2-CE1 4.23Å; I472-F581 HydrophobicContact CG2-CE2 4Å; I472-F581 HydrophobicContact CG2-CZ 3.54Å; M476-F581 HydrophobicContact CB-CE2 3.89Å; M476-F581 HydrophobicContact CB-CZ 4.31Å; M476-F581 HydrophobicContact CE-CD2 4.44Å; M476-F581 HydrophobicContact CE-CE1 4.49Å; M476-F581 HydrophobicContact CE-CE2 4.16Å; M476-F581 HydrophobicContact CE-CZ 4.19Å; M476-F581 HydrophobicContact CG-CE2 3.96Å; M476-F581 HydrophobicContact CG-CZ 4.42Å; M476-F581 HydrophobicContact SD-CE2 4.46Å; M476-F581 HydrophobicContact SD-CZ 4.4Å; L564-F581 HydrophobicContact CB-CE1 4.47Å; A565-F581 HydrophobicContact CB-CD1 4.02Å; A565-F581 HydrophobicContact CB-CE1 3.97Å; Y568-F581 HydrophobicContact CD1-CB 3.77Å; Y568-F581 HydrophobicContact CD1-CD1 4.12Å; Y568-F581 HydrophobicContact CD1-CD2 4.44Å; Y568-F581 AromaticContact CD1-CG 3.85Å; Y568-F581 HydrophobicContact CD1-CG 3.85Å; Y568-F581 HydrophobicContact CE1-CB 3.78Å; Y568-F581 HydrophobicContact CE1-CD2 4.48Å; Y568-F581 HydrophobicContact CE1-CG 4.13Å; Y568-F581 HydrophobicContact CG-CD1 4.15Å; Y568-F581 HydrophobicContact CG-CD2 4.47Å; Y568-F581 HydrophobicContact CG-CG 4.12Å; K577-F581 WeakPolarHBondContact O-CB 3.35Å; K577-F581 PolarHBondContact O-N 3.34Å; K577-F581 VanDerWaalsContact O-N 3.08Å; Q578-F581 PolarHBondContact O-N 3.03Å; F581-E584 PolarHBondContact O-N 3.27Å; F581-A585 PolarHBondContact O-N 3.1Å
582V89.4Confident88.4Confident20 Ų2061.7 Ų61.712%0.12132%0.317CS..Hα-helixtrans-63.1-44.7176.5175.60000110.7A565 V569 Q578 E584 A585 M586 L620A565-V582 HydrophobicContact CB-CG2 4.31Å; V569-V582 HydrophobicContact CG2-CG2 3.9Å; Q578-V582 WeakPolarHBondContact O-CG2 3.42Å; Q578-V582 PolarHBondContact O-N 2.96Å; V582-E584 VanDerWaalsContact C-N 3.32Å; V582-E584 PolarHBondContact O-N 2.87Å; V582-A585 PolarHBondContact O-N 2.87Å; V582-M586 HydrophobicContact CG1-CG 4.4Å; V582-M586 HydrophobicContact CG1-SD 4.04Å; V582-M586 VanDerWaalsContact O-CG 3.31Å; V582-M586 WeakPolarHBondContact O-CG 3.49Å; V582-M586 PolarHBondContact O-N 3.48Å; V582-L620 HydrophobicContact CG1-CB 4.35Å
583A89.7Confident88.4Confident58 Ų5862 Ų6248%0.47932%0.318SS..Hα-helixtrans-61.7-40.4177.600000112N579 M586 L587N579-A583 WeakPolarHBondContact O-CB 3.29Å; N579-A583 PolarHBondContact O-N 3.46Å; A583-M586 PolarHBondContact O-N 3.02Å; A583-L587 WeakPolarHBondContact O-CB 3.41Å; A583-L587 PolarHBondContact O-N 2.92Å
584E88.8Confident88.5Confident50 Ų5058 Ų5823%0.23430%0.299CS..Hα-helixtrans-65.1-43.2176-167.3180-178.500111.9M476 R480 S580 F581 V582 M586 L587 I588M476-E584 HydrophobicContact CE-CB 3.76Å; M476-E584 HydrophobicContact CE-CG 3.7Å; R480-E584 IonicContact CZ-OE1 3.8Å; R480-E584 IonicContact NH1-OE1 3.61Å; R480-E584 PolarHBondContact NH1-OE1 3.03Å; S580-E584 WeakPolarHBondContact O-CB 3.32Å; S580-E584 PolarHBondContact O-N 3.41Å; F581-E584 PolarHBondContact O-N 3.27Å; V582-E584 VanDerWaalsContact C-N 3.32Å; V582-E584 PolarHBondContact O-N 2.87Å; E584-M586 PolarHBondContact O-N 2.8Å; E584-L587 WeakPolarHBondContact O-CB 3.17Å; E584-L587 PolarHBondContact O-N 2.92Å; E584-I588 WeakPolarHBondContact O-CG1 3.32Å; E584-I588 PolarHBondContact O-N 3.12Å
585A90.5Very high88.2Confident0 Ų054.6 Ų54.60%028%0.281CS..Hα-helixtrans-61.6-43.8175.500000112.1M476 L561 F581 V582 I588 M589 L620M476-A585 HydrophobicContact CE-CB 4.06Å; L561-A585 HydrophobicContact CB-CB 4.28Å; F581-A585 PolarHBondContact O-N 3.1Å; V582-A585 PolarHBondContact O-N 2.87Å; A585-I588 PolarHBondContact O-N 3.39Å; A585-M589 WeakPolarHBondContact O-CG 3.45Å; A585-M589 PolarHBondContact O-N 3.21Å; A585-M589 VanDerWaalsContact O-N 3.15Å; A585-L620 HydrophobicContact CB-CD1 4.34Å
586M90.9Very high88Confident54 Ų5447.3 Ų47.327%0.26625%0.25SC..Hα-helixtrans-64.5-39.4175.6-68.2179.785.700111.7V582 A583 E584 I588 M589 V590 L617 L620V582-M586 HydrophobicContact CG1-CG 4.4Å; V582-M586 HydrophobicContact CG1-SD 4.04Å; V582-M586 VanDerWaalsContact O-CG 3.31Å; V582-M586 WeakPolarHBondContact O-CG 3.49Å; V582-M586 PolarHBondContact O-N 3.48Å; A583-M586 PolarHBondContact O-N 3.02Å; E584-M586 PolarHBondContact O-N 2.8Å; M586-I588 PolarHBondContact O-N 2.79Å; M586-M589 PolarHBondContact O-N 3.08Å; M586-V590 WeakPolarHBondContact O-CB 3.29Å; M586-V590 VanDerWaalsContact O-CG2 3.31Å; M586-V590 WeakPolarHBondContact O-CG2 3.18Å; M586-V590 PolarHBondContact O-N 2.8Å; M586-L617 HydrophobicContact CB-CD2 3.99Å; M586-L617 HydrophobicContact CE-CD2 4.19Å; M586-L617 HydrophobicContact CG-CD2 4.03Å; M586-L620 HydrophobicContact CG-CB 4.2Å; M586-L620 HydrophobicContact CG-CD1 3.94Å; M586-L620 HydrophobicContact SD-CB 4.3Å
587L90.1Very high87.7Confident89 Ų8946.4 Ų46.447%0.46625%0.245SC..Hα-helixtrans-61.2-43.7176.9-179.865.1000111.6I486 A583 E584 V590 T591I486-L587 HydrophobicContact CG2-CD2 4.42Å; I486-L587 HydrophobicContact CG2-CG 4.39Å; A583-L587 WeakPolarHBondContact O-CB 3.41Å; A583-L587 PolarHBondContact O-N 2.92Å; E584-L587 WeakPolarHBondContact O-CB 3.17Å; E584-L587 PolarHBondContact O-N 2.92Å; L587-V590 PolarHBondContact O-N 2.84Å; L587-T591 WeakPolarHBondContact O-CB 3.09Å; L587-T591 PolarHBondContact O-N 2.86Å; L587-T591 PolarHBondContact O-OG1 3.23Å
588I88.3Confident87.4Confident2 Ų242.7 Ų42.71%0.0123%0.232CC..Hα-helixtrans-60.4-49.5176.2-67.6167.2000110.2M476 V479 L483 I486 L557 L561 E584 A585 M586 V590 T591 V592M476-I588 HydrophobicContact CE-CD1 4.18Å; M476-I588 HydrophobicContact SD-CD1 3.94Å; V479-I588 HydrophobicContact CG1-CD1 4.47Å; L483-I588 HydrophobicContact CD1-CG1 4.46Å; L483-I588 HydrophobicContact CD1-CG2 3.61Å; I486-I588 HydrophobicContact CD1-CG1 3.87Å; L557-I588 HydrophobicContact CD2-CG2 4.21Å; L561-I588 HydrophobicContact CD1-CB 4.09Å; L561-I588 HydrophobicContact CD1-CD1 4.35Å; L561-I588 HydrophobicContact CD1-CG2 3.81Å; E584-I588 WeakPolarHBondContact O-CG1 3.32Å; E584-I588 PolarHBondContact O-N 3.12Å; A585-I588 PolarHBondContact O-N 3.39Å; M586-I588 PolarHBondContact O-N 2.79Å; I588-V590 PolarHBondContact O-N 2.97Å; I588-T591 PolarHBondContact O-N 3.13Å; I588-V592 WeakPolarHBondContact O-CG2 3.31Å; I588-V592 PolarHBondContact O-N 2.97Å
589M89.9Confident86.9Confident4 Ų447.5 Ų47.52%0.0227%0.269CS..Hα-helixtrans-59.8-44.9179.6-68.3178.4-157.900112.7A558 L561 T562 A585 M586 V592 L593 I613 C616 L617 L620A558-M589 HydrophobicContact CB-CE 4.38Å; A558-M589 HydrophobicContact CB-CG 4.01Å; A558-M589 HydrophobicContact CB-SD 4.11Å; A558-M589 VanDerWaalsContact O-CE 3.28Å; A558-M589 WeakPolarHBondContact O-CE 3.45Å; L561-M589 HydrophobicContact CB-CE 3.59Å; L561-M589 HydrophobicContact CD1-CE 4.42Å; T562-M589 WeakPolarHBondContact OG1-CE 3.4Å; A585-M589 WeakPolarHBondContact O-CG 3.45Å; A585-M589 PolarHBondContact O-N 3.21Å; A585-M589 VanDerWaalsContact O-N 3.15Å; M586-M589 PolarHBondContact O-N 3.08Å; M589-V592 PolarHBondContact O-N 2.84Å; M589-L593 PolarHBondContact O-N 2.78Å; M589-I613 HydrophobicContact CB-CG2 3.94Å; M589-I613 HydrophobicContact CG-CG2 4.38Å; M589-C616 HydrophobicContact CE-CB 4.45Å; M589-C616 HydrophobicContact SD-CB 4.02Å; M589-L617 HydrophobicContact CB-CD1 4.47Å; M589-L617 HydrophobicContact CB-CD2 3.79Å; M589-L617 HydrophobicContact CB-CG 4.12Å; M589-L617 HydrophobicContact CG-CD2 4.48Å; M589-L617 HydrophobicContact SD-CD2 3.87Å; M589-L617 HydrophobicContact SD-CG 4.06Å; M589-L620 HydrophobicContact CE-CD1 3.62Å; M589-L620 HydrophobicContact SD-CD1 4.24Å
590V89.7Confident86.3Confident76 Ų7644.4 Ų44.446%0.46125%0.252SS..Hα-helixtrans-66-39.5178.2171.90000111.2M586 L587 I588 V592 L593 H594 L617M586-V590 WeakPolarHBondContact O-CB 3.29Å; M586-V590 VanDerWaalsContact O-CG2 3.31Å; M586-V590 WeakPolarHBondContact O-CG2 3.18Å; M586-V590 PolarHBondContact O-N 2.8Å; L587-V590 PolarHBondContact O-N 2.84Å; I588-V590 PolarHBondContact O-N 2.97Å; V590-V592 VanDerWaalsContact C-N 3.31Å; V590-V592 PolarHBondContact O-N 3.3Å; V590-L593 PolarHBondContact O-N 2.98Å; V590-H594 WeakPolarHBondContact O-CB 3.43Å; V590-H594 PolarHBondContact O-N 3.24Å; V590-L617 HydrophobicContact CG2-CD1 3.99Å; V590-L617 HydrophobicContact CG2-CD2 4.11Å
591T87Confident85.9Confident11 Ų1141.5 Ų41.57%0.06723%0.232CC..Hα-helixtrans-63.8-39.6177.6-540000111.3I486 I488 L587 I588 H594 L595I486-T591 HydrophobicContact CG2-CG2 4.12Å; I488-T591 HydrophobicContact CB-CG2 3.92Å; I488-T591 HydrophobicContact CD1-CG2 3.83Å; I488-T591 HydrophobicContact CG1-CG2 3.66Å; L587-T591 WeakPolarHBondContact O-CB 3.09Å; L587-T591 PolarHBondContact O-N 2.86Å; L587-T591 PolarHBondContact O-OG1 3.23Å; I588-T591 PolarHBondContact O-N 3.13Å; T591-H594 PolarHBondContact O-N 2.76Å; T591-L595 WeakPolarHBondContact O-CB 3.16Å; T591-L595 PolarHBondContact O-N 2.7Å
592V86.7Confident85.5Confident4 Ų448 Ų482%0.02426%0.26CS..Hα-helixtrans-68.9-39176.6177.40000111.6I488 L546 A554 I588 M589 V590 H594 L595 G596I488-V592 HydrophobicContact CD1-CG2 4.5Å; L546-V592 HydrophobicContact CD1-CG1 4.26Å; L546-V592 HydrophobicContact CD1-CG2 4.11Å; L546-V592 HydrophobicContact CD2-CG1 4.04Å; A554-V592 HydrophobicContact CB-CG1 3.44Å; A554-V592 VanDerWaalsContact CB-CG1 3.44Å; I588-V592 WeakPolarHBondContact O-CG2 3.31Å; I588-V592 PolarHBondContact O-N 2.97Å; M589-V592 PolarHBondContact O-N 2.84Å; V590-V592 VanDerWaalsContact C-N 3.31Å; V590-V592 PolarHBondContact O-N 3.3Å; V592-H594 VanDerWaalsContact C-N 3.35Å; V592-L595 PolarHBondContact O-N 3.28Å; V592-G596 PolarHBondContact O-N 2.89Å
593L86.4Confident85.2Confident20 Ų2053.1 Ų53.111%0.10528%0.281CS..Hα-helixtrans-62.5-41.1171.8-78.4174.4000112.3M589 V590 G596 K597 I605 V610 I613 L617M589-L593 PolarHBondContact O-N 2.78Å; V590-L593 PolarHBondContact O-N 2.98Å; L593-G596 PolarHBondContact O-N 3.4Å; L593-K597 WeakPolarHBondContact O-CG 3.31Å; L593-K597 PolarHBondContact O-N 3.43Å; L593-I605 HydrophobicContact CD2-CD1 4.16Å; L593-V610 HydrophobicContact CD2-CB 4.36Å; L593-V610 HydrophobicContact CD2-CG1 4.17Å; L593-V610 HydrophobicContact CD2-CG2 4.19Å; L593-I613 HydrophobicContact CD1-CB 4.37Å; L593-I613 HydrophobicContact CD1-CG2 3.74Å; L593-I613 HydrophobicContact CD2-CB 4.06Å; L593-I613 HydrophobicContact CD2-CD1 3.99Å; L593-I613 HydrophobicContact CD2-CG2 4.12Å; L593-I613 HydrophobicContact CG-CB 4.24Å; L593-I613 HydrophobicContact CG-CD1 4.4Å; L593-I613 HydrophobicContact CG-CG2 3.73Å; L593-L617 HydrophobicContact CD1-CD1 3.74Å
594H86.3Confident84.8Confident108 Ų10855.4 Ų55.450%0.529%0.291SS..Hα-helixtrans-64.6-41.2176.8-174.7-113.2000111.4V489 V590 T591 V592 K597 S598V489-H594 VanDerWaalsContact CG2-ND1 3.32Å; V489-H594 WeakPolarHBondContact CG2-ND1 3.35Å; V590-H594 WeakPolarHBondContact O-CB 3.43Å; V590-H594 PolarHBondContact O-N 3.24Å; T591-H594 PolarHBondContact O-N 2.76Å; V592-H594 VanDerWaalsContact C-N 3.35Å; H594-K597 PolarHBondContact O-N 3.16Å; H594-S598 WeakPolarHBondContact O-CB 3.47Å; H594-S598 PolarHBondContact O-N 2.81Å
595L83.6Confident84.7Confident0 Ų053.9 Ų53.90%028%0.284CS..Hα-helixtrans-62.2-46.9173.1-178.167.1000111.7I488 V489 L546 M547 T591 V592 K597 S598 P601I488-L595 HydrophobicContact CD1-CD2 4.41Å; I488-L595 HydrophobicContact CG2-CD1 4.11Å; I488-L595 HydrophobicContact CG2-CD2 3.92Å; V489-L595 HydrophobicContact CG2-CB 3.99Å; V489-L595 HydrophobicContact CG2-CD1 3.87Å; L546-L595 HydrophobicContact CB-CD2 3.84Å; L546-L595 HydrophobicContact CD1-CD2 4.21Å; M547-L595 HydrophobicContact SD-CD1 4.12Å; T591-L595 WeakPolarHBondContact O-CB 3.16Å; T591-L595 PolarHBondContact O-N 2.7Å; V592-L595 PolarHBondContact O-N 3.28Å; L595-K597 VanDerWaalsContact C-N 3.28Å; L595-K597 PolarHBondContact O-N 2.64Å; L595-S598 WeakPolarHBondContact O-CB 3.45Å; L595-S598 PolarHBondContact O-N 3.35Å; L595-S598 VanDerWaalsContact O-N 3.08Å; L595-S598 PolarHBondContact O-OG 3.25Å; L595-P601 HydrophobicContact CD1-CG 4.45Å; L595-P601 HydrophobicContact CG-CG 4.3Å; L595-P601 WeakPolarHBondContact O-CG 3.44Å
596G81.3Confident84.5Confident1 Ų157.2 Ų57.21%0.0130%0.304CS..Hα-helixtrans-64.9-29.2-179.300000114.6F551 V592 L593 I605F551-G596 VanDerWaalsContact CE1-CA 3.42Å; F551-G596 VanDerWaalsContact CZ-CA 3.47Å; V592-G596 PolarHBondContact O-N 2.89Å; L593-G596 PolarHBondContact O-N 3.4Å; G596-I605 WeakPolarHBondContact O-CG2 3.03Å; G596-I605 PolarHBondContact O-N 3.33Å
597K83.3Confident84.4Confident155 Ų15561 Ų6167%0.67433%0.326SS*.Hα-helixtrans-85.9-12.4173.6-69.4-175.5178.3-174.60113.7L593 H594 L595 I605L593-K597 WeakPolarHBondContact O-CG 3.31Å; L593-K597 PolarHBondContact O-N 3.43Å; H594-K597 PolarHBondContact O-N 3.16Å; L595-K597 VanDerWaalsContact C-N 3.28Å; L595-K597 PolarHBondContact O-N 2.64Å; K597-I605 HydrophobicContact CG-CG2 4.49Å
598S80.8Confident84.2Confident25 Ų2563.1 Ų63.118%0.17534%0.338CS..SBendtrans-77.4158.6174.478.30000110.9H594 L595 L600 P601H594-S598 WeakPolarHBondContact O-CB 3.47Å; H594-S598 PolarHBondContact O-N 2.81Å; L595-S598 WeakPolarHBondContact O-CB 3.45Å; L595-S598 PolarHBondContact O-N 3.35Å; L595-S598 VanDerWaalsContact O-N 3.08Å; L595-S598 PolarHBondContact O-OG 3.25Å; S598-L600 PolarHBondContact O-N 3.36Å; S598-P601 VanDerWaalsContact O-CD 3.26Å; S598-P601 WeakPolarHBondContact O-CD 3.28Å
599S74.4Confident84.2Confident128 Ų12863.7 Ų63.790%0.89534%0.34SS*.SBendtrans-84.316.2176.660.60000114
600L76.2Confident84.2Confident39 Ų3964.3 Ų64.320%0.20435%0.345CS..  trans-83.4-37.6-177.4-63.4168.9000114.5V489 E492 I493 M547 S598V489-L600 HydrophobicContact CB-CD1 4.44Å; V489-L600 HydrophobicContact CG1-CD1 3.9Å; V489-L600 HydrophobicContact CG2-CD1 4.47Å; E492-L600 HydrophobicContact CB-CD1 4.16Å; I493-L600 HydrophobicContact CG1-CD1 4.22Å; M547-L600 HydrophobicContact CE-CB 4.4Å; S598-L600 PolarHBondContact O-N 3.36Å
601P81.3Confident84.2Confident17 Ų1766 Ų6611%0.1135%0.351CS..SBendtrans-70.6154.1178.3-18.433000112.9M547 F551 L595 S598 K603M547-P601 WeakPolarHBondContact O-CA 3.22Å; F551-P601 HydrophobicContact CE2-CB 4.21Å; F551-P601 HydrophobicContact CE2-CG 4.45Å; F551-P601 HydrophobicContact CZ-CB 4.01Å; F551-P601 HydrophobicContact CZ-CG 3.83Å; L595-P601 HydrophobicContact CD1-CG 4.45Å; L595-P601 HydrophobicContact CG-CG 4.3Å; L595-P601 WeakPolarHBondContact O-CG 3.44Å; S598-P601 VanDerWaalsContact O-CD 3.26Å; S598-P601 WeakPolarHBondContact O-CD 3.28Å; P601-K603 VanDerWaalsContact C-N 3.3Å; P601-K603 WeakPolarHBondContact CB-O 3.19Å; P601-K603 PolarHBondContact O-N 3.44Å
602K80.4Confident84.3Confident146 Ų14671.9 Ų71.964%0.63537%0.372SS*.SBendtrans-62.2-34.4176.9-69.5-179.2-174.1158.80113M547 D548M547-K602 PolarHBondContact O-N 3.26Å; D548-K602 WeakPolarHBondContact OD1-CE 3.47Å; D548-K602 IonicContact OD1-NZ 3.72Å; D548-K602 PolarHBondContact OD1-NZ 3.19Å
603K82.9Confident84.4Confident128 Ų12871.8 Ų71.856%0.55737%0.371SS*.SBendtrans-127.3142174-60.5174.8-179.2168.80108.9F551 P601F551-K603 VanDerWaalsContact CE2-O 3.3Å; F551-K603 WeakPolarHBondContact CE2-O 3.17Å; P601-K603 VanDerWaalsContact C-N 3.3Å; P601-K603 WeakPolarHBondContact CB-O 3.19Å; P601-K603 PolarHBondContact O-N 3.44Å
604P81.8Confident84.6Confident106 Ų10673.2 Ų73.269%0.68838%0.383SS*.PPolyproline II helixtrans-70.1160.117530.4-34.8000111.5
605I85.9Confident84.8Confident19 Ų1972.4 Ų72.410%0.09738%0.382CS..PPolyproline II helixtrans-63.5142.7173.2-167.8164.6000111.5F551 L593 G596 K597 D609 V610 I613F551-I605 HydrophobicContact CB-CB 4.4Å; F551-I605 HydrophobicContact CB-CD1 4.25Å; F551-I605 HydrophobicContact CB-CG1 3.74Å; F551-I605 HydrophobicContact CD1-CB 3.99Å; F551-I605 HydrophobicContact CD1-CD1 3.74Å; F551-I605 HydrophobicContact CD1-CG1 3.8Å; F551-I605 VanDerWaalsContact CD2-CA 3.48Å; F551-I605 HydrophobicContact CD2-CB 3.91Å; F551-I605 HydrophobicContact CD2-CG1 4.2Å; F551-I605 HydrophobicContact CE1-CB 4.28Å; F551-I605 HydrophobicContact CE1-CD1 4.42Å; F551-I605 HydrophobicContact CE2-CB 4.21Å; F551-I605 HydrophobicContact CG-CB 3.8Å; F551-I605 HydrophobicContact CG-CD1 4.08Å; F551-I605 HydrophobicContact CG-CG1 3.62Å; F551-I605 HydrophobicContact CZ-CB 4.4Å; L593-I605 HydrophobicContact CD2-CD1 4.16Å; G596-I605 WeakPolarHBondContact O-CG2 3.03Å; G596-I605 PolarHBondContact O-N 3.33Å; K597-I605 HydrophobicContact CG-CG2 4.49Å; I605-D609 HydrophobicContact CD1-CB 4.23Å; I605-D609 HydrophobicContact CG1-CB 3.89Å; I605-V610 HydrophobicContact CB-CG2 4.31Å; I605-V610 HydrophobicContact CD1-CG2 3.77Å; I605-V610 HydrophobicContact CG1-CG2 3.82Å; I605-V610 HydrophobicContact CG2-CG2 3.54Å; I605-I613 HydrophobicContact CD1-CD1 4.13Å
606T88.1Confident85.1Confident70 Ų7072.5 Ų72.543%0.42938%0.382SS..PPolyproline II helixtrans-79151.2175.371.60000111.2D608 D609 V610T606-D608 VanDerWaalsContact C-N 3.28Å; T606-D608 PolarHBondContact O-N 3.35Å; T606-D609 PolarHBondContact O-N 3.43Å; T606-D609 WeakPolarHBondContact OG1-CB 3.3Å; T606-D609 PolarHBondContact OG1-N 3.21Å; T606-D609 PolarHBondContact OG1-OD2 3.33Å; T606-V610 WeakPolarHBondContact O-CG2 3.5Å; T606-V610 PolarHBondContact O-N 3.05Å
607D87Confident85.5Confident134 Ų13473.7 Ų73.772%0.71739%0.388SS*.Hα-helixtrans-60.9-38.5178.3-69.6-25.6000111.7D609 V610 D611D607-D609 VanDerWaalsContact C-N 3.35Å; D607-D609 PolarHBondContact O-N 2.95Å; D607-V610 WeakPolarHBondContact O-CB 3.49Å; D607-V610 PolarHBondContact O-N 3.08Å; D607-D611 WeakPolarHBondContact O-CB 3.28Å; D607-D611 PolarHBondContact O-N 3.07Å
608D87.7Confident85.7Confident133 Ų13372 Ų7271%0.71138%0.381SS*.Hα-helixtrans-60.2-41.9175.8-73.6-12.4000112.3T606 R612T606-D608 VanDerWaalsContact C-N 3.28Å; T606-D608 PolarHBondContact O-N 3.35Å; D608-R612 WeakPolarHBondContact O-CB 3.47Å; D608-R612 PolarHBondContact O-N 3.21Å
609D87.1Confident86.1Confident13 Ų1371.1 Ų71.17%0.0737%0.374CS..Hα-helixtrans-68.2-39.6177.3-68.2-43.6000111.1F551 A555 I605 T606 D607 R612 I613F551-D609 HydrophobicContact CB-CB 4.26Å; F551-D609 WeakPolarHBondContact CB-OD2 3.46Å; A555-D609 HydrophobicContact CB-CB 4.49Å; I605-D609 HydrophobicContact CD1-CB 4.23Å; I605-D609 HydrophobicContact CG1-CB 3.89Å; T606-D609 PolarHBondContact O-N 3.43Å; T606-D609 WeakPolarHBondContact OG1-CB 3.3Å; T606-D609 PolarHBondContact OG1-N 3.21Å; T606-D609 PolarHBondContact OG1-OD2 3.33Å; D607-D609 VanDerWaalsContact C-N 3.35Å; D607-D609 PolarHBondContact O-N 2.95Å; D609-R612 PolarHBondContact O-N 3.5Å; D609-I613 WeakPolarHBondContact O-CD1 3.44Å; D609-I613 VanDerWaalsContact O-CG1 3.23Å; D609-I613 WeakPolarHBondContact O-CG1 3.28Å; D609-I613 PolarHBondContact O-N 3.27Å
610V89.6Confident86.7Confident18 Ų1865.3 Ų65.311%0.10933%0.333CS..Hα-helixtrans-61.2-47.4174.9173.30000110.8L593 I605 T606 D607 R612 I613 S614L593-V610 HydrophobicContact CD2-CB 4.36Å; L593-V610 HydrophobicContact CD2-CG1 4.17Å; L593-V610 HydrophobicContact CD2-CG2 4.19Å; I605-V610 HydrophobicContact CB-CG2 4.31Å; I605-V610 HydrophobicContact CD1-CG2 3.77Å; I605-V610 HydrophobicContact CG1-CG2 3.82Å; I605-V610 HydrophobicContact CG2-CG2 3.54Å; T606-V610 WeakPolarHBondContact O-CG2 3.5Å; T606-V610 PolarHBondContact O-N 3.05Å; D607-V610 WeakPolarHBondContact O-CB 3.49Å; D607-V610 PolarHBondContact O-N 3.08Å; V610-R612 VanDerWaalsContact C-N 3.31Å; V610-R612 PolarHBondContact O-N 3.01Å; V610-I613 PolarHBondContact O-N 2.87Å; V610-S614 VanDerWaalsContact O-CB 3.23Å; V610-S614 WeakPolarHBondContact O-CB 3.3Å; V610-S614 PolarHBondContact O-N 3.12Å; V610-S614 PolarHBondContact O-OG 3.14Å
611D89.9Confident87.2Confident110 Ų11067.8 Ų67.859%0.58835%0.354SS*.Hα-helixtrans-62.7-41.3-179.9-80.9-8.3000111D607 S614 L615D607-D611 WeakPolarHBondContact O-CB 3.28Å; D607-D611 PolarHBondContact O-N 3.07Å; D611-S614 PolarHBondContact O-N 3.15Å; D611-L615 WeakPolarHBondContact O-CB 3.36Å; D611-L615 PolarHBondContact O-N 3.43Å
612R88.9Confident87.3Confident136 Ų13672.8 Ų72.851%0.51338%0.376SS..Hα-helixtrans-67.6-41.3179.3-164.7154.9-174.6156.12.3112.9A555 D608 D609 V610 C616A555-R612 HydrophobicContact CB-CB 4.33Å; A555-R612 HydrophobicContact CB-CG 4.35Å; D608-R612 WeakPolarHBondContact O-CB 3.47Å; D608-R612 PolarHBondContact O-N 3.21Å; D609-R612 PolarHBondContact O-N 3.5Å; V610-R612 VanDerWaalsContact C-N 3.31Å; V610-R612 PolarHBondContact O-N 3.01Å; R612-C616 PolarHBondContact O-N 2.81Å; R612-C616 VanDerWaalsContact O-N 3.16Å; R612-C616 PolarHBondContact O-SG 2.91Å
613I90.3Very high87.1Confident2 Ų268.9 Ų68.91%0.0137%0.366CS..Hα-helixtrans-68.4-39.5175-60.9164000110.3A554 A558 M589 L593 I605 D609 V610 L615 C616 L617A554-I613 HydrophobicContact CB-CD1 3.97Å; A558-I613 HydrophobicContact CB-CB 4.25Å; A558-I613 HydrophobicContact CB-CG1 3.86Å; A558-I613 HydrophobicContact CB-CG2 4.08Å; M589-I613 HydrophobicContact CB-CG2 3.94Å; M589-I613 HydrophobicContact CG-CG2 4.38Å; L593-I613 HydrophobicContact CD1-CB 4.37Å; L593-I613 HydrophobicContact CD1-CG2 3.74Å; L593-I613 HydrophobicContact CD2-CB 4.06Å; L593-I613 HydrophobicContact CD2-CD1 3.99Å; L593-I613 HydrophobicContact CD2-CG2 4.12Å; L593-I613 HydrophobicContact CG-CB 4.24Å; L593-I613 HydrophobicContact CG-CD1 4.4Å; L593-I613 HydrophobicContact CG-CG2 3.73Å; I605-I613 HydrophobicContact CD1-CD1 4.13Å; D609-I613 WeakPolarHBondContact O-CD1 3.44Å; D609-I613 VanDerWaalsContact O-CG1 3.23Å; D609-I613 WeakPolarHBondContact O-CG1 3.28Å; D609-I613 PolarHBondContact O-N 3.27Å; V610-I613 PolarHBondContact O-N 2.87Å; I613-L615 PolarHBondContact O-N 2.99Å; I613-C616 WeakPolarHBondContact O-CB 3.34Å; I613-C616 PolarHBondContact O-N 3.46Å; I613-L617 PolarHBondContact O-N 3.22Å
614S89.8Confident87Confident50 Ų5064.7 Ų64.735%0.3535%0.353SS..Hα-helixtrans-64-39.6177.2-60.10000112.1V610 D611 L617 K618V610-S614 VanDerWaalsContact O-CB 3.23Å; V610-S614 WeakPolarHBondContact O-CB 3.3Å; V610-S614 PolarHBondContact O-N 3.12Å; V610-S614 PolarHBondContact O-OG 3.14Å; D611-S614 PolarHBondContact O-N 3.15Å; S614-L617 PolarHBondContact O-N 3.17Å; S614-K618 PolarHBondContact O-N 3.25Å
615L90.1Very high86.9Confident90 Ų9064.8 Ų64.847%0.47135%0.354SS..Hα-helixtrans-60.1-45.2172.1179.263.9000111.2D611 I613 L617 K618 V619D611-L615 WeakPolarHBondContact O-CB 3.36Å; D611-L615 PolarHBondContact O-N 3.43Å; I613-L615 PolarHBondContact O-N 2.99Å; L615-L617 PolarHBondContact O-N 3.28Å; L615-K618 PolarHBondContact O-N 3.49Å; L615-V619 HydrophobicContact CD1-CG2 4.46Å; L615-V619 VanDerWaalsContact O-CG2 3.29Å; L615-V619 WeakPolarHBondContact O-CG2 3.46Å; L615-V619 PolarHBondContact O-N 3.23Å
616C89.5Confident86.8Confident2 Ų269.4 Ų69.41%0.01438%0.378CS..Hα-helixtrans-59.8-43.7176.6-69.50000112.1A558 T562 M589 R612 I613 K618 V619 L620A558-C616 HydrophobicContact CB-CB 4.1Å; T562-C616 VanDerWaalsContact OG1-CB 3.27Å; T562-C616 WeakPolarHBondContact OG1-CB 2.97Å; M589-C616 HydrophobicContact CE-CB 4.45Å; M589-C616 HydrophobicContact SD-CB 4.02Å; R612-C616 PolarHBondContact O-N 2.81Å; R612-C616 VanDerWaalsContact O-N 3.16Å; R612-C616 PolarHBondContact O-SG 2.91Å; I613-C616 WeakPolarHBondContact O-CB 3.34Å; I613-C616 PolarHBondContact O-N 3.46Å; C616-K618 VanDerWaalsContact C-N 3.35Å; C616-K618 PolarHBondContact O-N 3.48Å; C616-V619 PolarHBondContact O-N 3.01Å; C616-L620 PolarHBondContact O-N 3.22Å
617L89.8Confident86.5Confident26 Ų2668.3 Ų68.314%0.13637%0.368CS..Hα-helixtrans-61.1-42.5174.5-75.5171.6000112.2M586 M589 V590 L593 I613 S614 L615 L620 S621M586-L617 HydrophobicContact CB-CD2 3.99Å; M586-L617 HydrophobicContact CE-CD2 4.19Å; M586-L617 HydrophobicContact CG-CD2 4.03Å; M589-L617 HydrophobicContact CB-CD1 4.47Å; M589-L617 HydrophobicContact CB-CD2 3.79Å; M589-L617 HydrophobicContact CB-CG 4.12Å; M589-L617 HydrophobicContact CG-CD2 4.48Å; M589-L617 HydrophobicContact SD-CD2 3.87Å; M589-L617 HydrophobicContact SD-CG 4.06Å; V590-L617 HydrophobicContact CG2-CD1 3.99Å; V590-L617 HydrophobicContact CG2-CD2 4.11Å; L593-L617 HydrophobicContact CD1-CD1 3.74Å; I613-L617 PolarHBondContact O-N 3.22Å; S614-L617 PolarHBondContact O-N 3.17Å; L615-L617 PolarHBondContact O-N 3.28Å; L617-L620 PolarHBondContact O-N 3.09Å; L617-S621 PolarHBondContact O-N 2.96Å
618K89.1Confident86.3Confident120 Ų12064.3 Ų64.352%0.52235%0.347SS..Hα-helixtrans-63.8-42.5176.8-171.5173.6179.7178.80111.6S614 L615 C616 L620 S621 E622S614-K618 PolarHBondContact O-N 3.25Å; L615-K618 PolarHBondContact O-N 3.49Å; C616-K618 VanDerWaalsContact C-N 3.35Å; C616-K618 PolarHBondContact O-N 3.48Å; K618-L620 VanDerWaalsContact C-N 3.34Å; K618-L620 PolarHBondContact O-N 3.4Å; K618-S621 PolarHBondContact O-N 3.46Å; K618-E622 WeakPolarHBondContact CE-OE1 3.2Å; K618-E622 HydrophobicContact CG-CG 4.4Å; K618-E622 IonicContact NZ-OE1 2.71Å; K618-E622 PolarHBondContact O-N 2.97Å
619V89Confident86.1Confident6 Ų660.9 Ų60.94%0.03633%0.329CS..Hα-helixtrans-61.3-41.5177170.80000111.6T562 L566 L615 C616 C623 M627 F631T562-V619 HydrophobicContact CG2-CB 4.28Å; T562-V619 HydrophobicContact CG2-CG1 3.8Å; L566-V619 HydrophobicContact CD1-CG1 4.05Å; L615-V619 HydrophobicContact CD1-CG2 4.46Å; L615-V619 VanDerWaalsContact O-CG2 3.29Å; L615-V619 WeakPolarHBondContact O-CG2 3.46Å; L615-V619 PolarHBondContact O-N 3.23Å; C616-V619 PolarHBondContact O-N 3.01Å; V619-C623 WeakPolarHBondContact O-CA 3.32Å; V619-C623 PolarHBondContact O-N 3.33Å; V619-M627 HydrophobicContact CG1-CB 4.07Å; V619-M627 HydrophobicContact CG2-CB 4.5Å; V619-M627 HydrophobicContact CG2-CE 3.47Å; V619-M627 VanDerWaalsContact CG2-CE 3.47Å; V619-M627 HydrophobicContact CG2-CG 4.39Å; V619-F631 HydrophobicContact CG2-CE2 4.46Å
620L87Confident86Confident6 Ų663.5 Ų63.53%0.03134%0.342CS..Hα-helixtrans-69.9-31.9176.4-70.6-179.4000113.4T562 A565 L566 V582 A585 M586 M589 C616 L617 K618 C623T562-L620 HydrophobicContact CG2-CD2 4.04Å; T562-L620 HydrophobicContact CG2-CG 4.14Å; A565-L620 HydrophobicContact CB-CD2 3.72Å; L566-L620 HydrophobicContact CD2-CD2 4.49Å; L566-L620 HydrophobicContact CG-CD2 4.34Å; V582-L620 HydrophobicContact CG1-CB 4.35Å; A585-L620 HydrophobicContact CB-CD1 4.34Å; M586-L620 HydrophobicContact CG-CB 4.2Å; M586-L620 HydrophobicContact CG-CD1 3.94Å; M586-L620 HydrophobicContact SD-CB 4.3Å; M589-L620 HydrophobicContact CE-CD1 3.62Å; M589-L620 HydrophobicContact SD-CD1 4.24Å; C616-L620 PolarHBondContact O-N 3.22Å; L617-L620 PolarHBondContact O-N 3.09Å; K618-L620 VanDerWaalsContact C-N 3.34Å; K618-L620 PolarHBondContact O-N 3.4Å; L620-C623 PolarHBondContact O-SG 3.1Å
621S86.3Confident85.6Confident91 Ų9163.8 Ų63.864%0.63634%0.342SS*.Hα-helixtrans-72.1-44.9176.1-172.60000112.3L617 K618L617-S621 PolarHBondContact O-N 2.96Å; K618-S621 PolarHBondContact O-N 3.46Å
622E83.4Confident85.1Confident122 Ų12259.5 Ų59.557%0.5732%0.319SS*.Hα-helixtrans-83.2-28.9-176.3-69.1178.117900113.2K618 S624K618-E622 WeakPolarHBondContact CE-OE1 3.2Å; K618-E622 HydrophobicContact CG-CG 4.4Å; K618-E622 IonicContact NZ-OE1 2.71Å; K618-E622 PolarHBondContact O-N 2.97Å; E622-S624 PolarHBondContact O-N 3.35Å; E622-S624 VanDerWaalsContact O-N 3.12Å
623C75.3Confident84.7Confident65 Ų6558.4 Ų58.444%0.43932%0.318SS..  trans47.439.3-179.4-77.50000114.1V619 L620V619-C623 WeakPolarHBondContact O-CA 3.32Å; V619-C623 PolarHBondContact O-N 3.33Å; L620-C623 PolarHBondContact O-SG 3.1Å
624S81.6Confident84.2Confident39 Ų3962.1 Ų62.127%0.27334%0.335SS..  trans-61.7136.8-178.7173.10000112.2E622 L626 M627 N628E622-S624 PolarHBondContact O-N 3.35Å; E622-S624 VanDerWaalsContact O-N 3.12Å; S624-L626 VanDerWaalsContact C-N 3.27Å; S624-L626 PolarHBondContact O-N 3.34Å; S624-M627 PolarHBondContact O-N 3.09Å; S624-N628 PolarHBondContact O-N 2.89Å
625P79.3Confident83.7Confident109 Ų10962 Ų6271%0.70833%0.334SS*.Hα-helixtrans-62.7-32179.623.7-32.5000112.9N628 D629P625-N628 PolarHBondContact O-N 3.38Å; P625-D629 PolarHBondContact O-N 3.46Å; P625-D629 VanDerWaalsContact O-N 3.14Å
626L84.2Confident83Confident116 Ų11661.2 Ų61.261%0.60733%0.325SS*.Hα-helixtrans-64.9-46175.418066.9000111.2S624 N628 D629 I630S624-L626 VanDerWaalsContact C-N 3.27Å; S624-L626 PolarHBondContact O-N 3.34Å; L626-N628 VanDerWaalsContact C-N 3.3Å; L626-N628 PolarHBondContact O-N 3.42Å; L626-D629 PolarHBondContact O-N 3.27Å; L626-I630 HydrophobicContact CD1-CD1 4.41Å; L626-I630 HydrophobicContact CG-CD1 4.08Å; L626-I630 WeakPolarHBondContact O-CG1 3.48Å; L626-I630 PolarHBondContact O-N 3.01Å
627M82.8Confident82.6Confident46 Ų4668 Ų6823%0.22735%0.35CS..Hα-helixtrans-67-34.1179.5-66.2-56.5-72.900111.7V619 S624 I630 F631V619-M627 HydrophobicContact CG1-CB 4.07Å; V619-M627 HydrophobicContact CG2-CB 4.5Å; V619-M627 HydrophobicContact CG2-CE 3.47Å; V619-M627 VanDerWaalsContact CG2-CE 3.47Å; V619-M627 HydrophobicContact CG2-CG 4.39Å; S624-M627 PolarHBondContact O-N 3.09Å; M627-I630 PolarHBondContact O-N 2.76Å; M627-I630 HydrophobicContact SD-CD1 4.18Å; M627-F631 HydrophobicContact CE-CD2 4.21Å; M627-F631 HydrophobicContact CE-CE2 3.61Å; M627-F631 WeakPolarHBondContact O-CB 3.33Å; M627-F631 WeakPolarHBondContact O-CD2 3.45Å; M627-F631 PolarHBondContact O-N 2.88Å
628N82.2Confident82Confident51 Ų5170.7 Ų70.727%0.27337%0.371SS..Hα-helixtrans-61.3-44.6173.1-167-3.2000111.7S624 P625 L626 N632S624-N628 PolarHBondContact O-N 2.89Å; P625-N628 PolarHBondContact O-N 3.38Å; L626-N628 VanDerWaalsContact C-N 3.3Å; L626-N628 PolarHBondContact O-N 3.42Å; N628-N632 WeakPolarHBondContact O-CB 3.49Å; N628-N632 PolarHBondContact O-N 2.92Å; N628-N632 PolarHBondContact OD1-ND2 2.93Å
629D83.6Confident81.3Confident61 Ų6165.5 Ų65.533%0.32635%0.349SS..Hα-helixtrans-65.5-41.5178.7-152.939.8000112.2P625 L626 K633 E634P625-D629 PolarHBondContact O-N 3.46Å; P625-D629 VanDerWaalsContact O-N 3.14Å; L626-D629 PolarHBondContact O-N 3.27Å; D629-K633 WeakPolarHBondContact O-CA 3.47Å; D629-K633 WeakPolarHBondContact O-CB 3.21Å; D629-K633 PolarHBondContact O-N 3.28Å; D629-K633 WeakPolarHBondContact OD1-CD 3.47Å; D629-K633 WeakPolarHBondContact OD1-CE 3.29Å; D629-K633 IonicContact OD1-NZ 2.7Å; D629-K633 PolarHBondContact OD1-NZ 3.47Å; D629-E634 PolarHBondContact O-N 3.12Å
630I83.7Confident80.7Confident68 Ų6867.1 Ų67.135%0.34936%0.361SS..Iπ-helixtrans-62-51.3177.7-67.2167.6000111.3L626 M627 E634 C635L626-I630 HydrophobicContact CD1-CD1 4.41Å; L626-I630 HydrophobicContact CG-CD1 4.08Å; L626-I630 WeakPolarHBondContact O-CG1 3.48Å; L626-I630 PolarHBondContact O-N 3.01Å; M627-I630 PolarHBondContact O-N 2.76Å; M627-I630 HydrophobicContact SD-CD1 4.18Å; I630-E634 PolarHBondContact O-N 3.21Å; I630-C635 PolarHBondContact O-N 3.21Å; I630-C635 VanDerWaalsContact O-N 3.13Å
631F82.4Confident80.3Confident24 Ų2473 Ų7311%0.10539%0.388CS..Iπ-helixtrans-71.3-32.9-174.9-88.7-105.6000113.3T559 T562 K563 L566 V619 M627T559-F631 HydrophobicContact CG2-CE1 4.11Å; T562-F631 HydrophobicContact CG2-CD1 4.16Å; T562-F631 HydrophobicContact CG2-CE1 4.13Å; K563-F631 WeakPolarHBondContact CE-O 3.27Å; K563-F631 HydrophobicContact CG-CB 4.22Å; K563-F631 HydrophobicContact CG-CD1 3.87Å; L566-F631 HydrophobicContact CD1-CB 4.24Å; V619-F631 HydrophobicContact CG2-CE2 4.46Å; M627-F631 HydrophobicContact CE-CD2 4.21Å; M627-F631 HydrophobicContact CE-CE2 3.61Å; M627-F631 WeakPolarHBondContact O-CB 3.33Å; M627-F631 WeakPolarHBondContact O-CD2 3.45Å; M627-F631 PolarHBondContact O-N 2.88Å
632N80.1Confident79.9Confident20 Ų2072.7 Ų72.711%0.10738%0.377CS..Iπ-helixtrans-97.3-27-176.8-82.5-47.8000115.1R567 N628R567-N632 PolarHBondContact NE-OD1 3.03Å; R567-N632 PolarHBondContact NH2-OD1 3.18Å; N628-N632 WeakPolarHBondContact O-CB 3.49Å; N628-N632 PolarHBondContact O-N 2.92Å; N628-N632 PolarHBondContact OD1-ND2 2.93Å
633K80.3Confident79.4Confident113 Ų11367.6 Ų67.649%0.49135%0.354SS..Iπ-helixtrans-114.6-51.5-176.5-57.7-164.5-162.4133.80113.5D629 R636 R637D629-K633 WeakPolarHBondContact O-CA 3.47Å; D629-K633 WeakPolarHBondContact O-CB 3.21Å; D629-K633 PolarHBondContact O-N 3.28Å; D629-K633 WeakPolarHBondContact OD1-CD 3.47Å; D629-K633 WeakPolarHBondContact OD1-CE 3.29Å; D629-K633 IonicContact OD1-NZ 2.7Å; D629-K633 PolarHBondContact OD1-NZ 3.47Å; K633-R636 WeakPolarHBondContact O-CB 3.13Å; K633-R636 PolarHBondContact O-N 3.49Å; K633-R637 WeakPolarHBondContact O-CG 3.09Å; K633-R637 PolarHBondContact O-N 2.96Å
634E79.4Confident79.4Confident80 Ų8068 Ų6837%0.37435%0.354SS..Iπ-helixtrans-70.1-38.8-173.4-67.1-58133.500112.6D629 I630 R636 R637 S638D629-E634 PolarHBondContact O-N 3.12Å; I630-E634 PolarHBondContact O-N 3.21Å; E634-R636 VanDerWaalsContact C-N 3.26Å; E634-R636 PolarHBondContact O-N 3.35Å; E634-R637 PolarHBondContact O-N 2.72Å; E634-R637 IonicContact OE1-CZ 3.76Å; E634-R637 IonicContact OE1-NH1 2.76Å; E634-R637 PolarHBondContact OE1-NH1 2.91Å; E634-S638 PolarHBondContact O-N 3.19Å; E634-S638 VanDerWaalsContact O-N 3.1Å
635C78.6Confident78.9Confident48 Ų4868.1 Ų68.132%0.32435%0.353SS..Hα-helixtrans-55.5-41.1171.9-77.80000112.7I630I630-C635 PolarHBondContact O-N 3.21Å; I630-C635 VanDerWaalsContact O-N 3.13Å
636R75.8Confident78.5Confident73 Ų7367.9 Ų67.928%0.27534%0.338SS..Hα-helixtrans-69-45178.3-158178.4-69.9-174.5-6.8112.2E464 K633 E634 S638 L639 S640E464-R636 HydrophobicContact CG-CG 4.25Å; E464-R636 PolarHBondContact O-NH2 2.89Å; E464-R636 WeakPolarHBondContact OE1-CB 3.4Å; E464-R636 IonicContact OE1-CZ 3.36Å; E464-R636 IonicContact OE1-NE 3.13Å; E464-R636 PolarHBondContact OE1-NE 3.29Å; E464-R636 VanDerWaalsContact OE1-NE 3.12Å; K633-R636 WeakPolarHBondContact O-CB 3.13Å; K633-R636 PolarHBondContact O-N 3.49Å; E634-R636 VanDerWaalsContact C-N 3.26Å; E634-R636 PolarHBondContact O-N 3.35Å; R636-S638 VanDerWaalsContact C-N 3.26Å; R636-S638 PolarHBondContact O-N 3.43Å; R636-L639 PolarHBondContact O-N 3.15Å; R636-S640 PolarHBondContact O-N 2.83Å
637R80.7Confident77.7Confident143 Ų14364.6 Ų64.654%0.5432%0.321SS..Hα-helixtrans-59.4-38.7-179.2-78176.5173.8174-6112K633 E634 L639 S640 H641K633-R637 WeakPolarHBondContact O-CG 3.09Å; K633-R637 PolarHBondContact O-N 2.96Å; E634-R637 PolarHBondContact O-N 2.72Å; E634-R637 IonicContact OE1-CZ 3.76Å; E634-R637 IonicContact OE1-NH1 2.76Å; E634-R637 PolarHBondContact OE1-NH1 2.91Å; R637-L639 VanDerWaalsContact C-N 3.33Å; R637-L639 PolarHBondContact O-N 3.36Å; R637-S640 WeakPolarHBondContact CA-OG 3.31Å; R637-S640 PolarHBondContact O-N 2.9Å; R637-S640 VanDerWaalsContact O-N 3.15Å; R637-S640 PolarHBondContact O-OG 2.92Å; R637-H641 PolarHBondContact O-N 3.13Å
638S77.9Confident77Confident84 Ų8467.4 Ų67.459%0.58733%0.334SS*.Hα-helixtrans-57.5-43.5177.4-173.70000112.5E634 R636 H641 M642E634-S638 PolarHBondContact O-N 3.19Å; E634-S638 VanDerWaalsContact O-N 3.1Å; R636-S638 VanDerWaalsContact C-N 3.26Å; R636-S638 PolarHBondContact O-N 3.43Å; S638-H641 PolarHBondContact O-N 3.11Å; S638-M642 PolarHBondContact O-N 3.11Å
639L75Confident76.3Confident11 Ų1167.3 Ų67.36%0.05833%0.332CS..Hα-helixtrans-64.1-45.4175-174.777.9000111.7R425 Q429 W460 Y465 R636 R637 H641 M642 L643R425-L639 HydrophobicContact CG-CD1 4.3Å; R425-L639 HydrophobicContact CG-CD2 4.24Å; Q429-L639 HydrophobicContact CB-CD2 4.34Å; Q429-L639 HydrophobicContact CG-CD2 4.49Å; W460-L639 HydrophobicContact CH2-CB 4.35Å; W460-L639 HydrophobicContact CH2-CD1 4.1Å; W460-L639 HydrophobicContact CH2-CD2 3.54Å; W460-L639 HydrophobicContact CH2-CG 4.18Å; W460-L639 HydrophobicContact CZ3-CD2 4.16Å; Y465-L639 WeakPolarHBondContact OH-CD2 3.46Å; R636-L639 PolarHBondContact O-N 3.15Å; R637-L639 VanDerWaalsContact C-N 3.33Å; R637-L639 PolarHBondContact O-N 3.36Å; L639-H641 VanDerWaalsContact C-N 3.26Å; L639-H641 PolarHBondContact O-N 3.08Å; L639-M642 HydrophobicContact CD1-CE 3.63Å; L639-M642 PolarHBondContact O-N 3.19Å; L639-L643 HydrophobicContact CD1-CD1 4.44Å; L639-L643 HydrophobicContact CD2-CD1 4.18Å; L639-L643 HydrophobicContact CG-CD1 4Å; L639-L643 HydrophobicContact CG-CG 4.39Å; L639-L643 PolarHBondContact O-N 3.03Å
640S76.3Confident75.4Confident39 Ų3968.1 Ų68.127%0.27333%0.333SS..Hα-helixtrans-60.7-37.4179.162.70000112.4R636 R637 T644R636-S640 PolarHBondContact O-N 2.83Å; R637-S640 WeakPolarHBondContact CA-OG 3.31Å; R637-S640 PolarHBondContact O-N 2.9Å; R637-S640 VanDerWaalsContact O-N 3.15Å; R637-S640 PolarHBondContact O-OG 2.92Å; S640-T644 WeakPolarHBondContact O-CB 3.49Å; S640-T644 VanDerWaalsContact O-CG2 3.25Å; S640-T644 WeakPolarHBondContact O-CG2 3.34Å; S640-T644 PolarHBondContact O-N 3.14Å; S640-T644 PolarHBondContact O-OG1 3.45Å
641H77.9Confident74.5Confident130 Ų13071.3 Ų71.360%0.60235%0.345SS*.Hα-helixtrans-67.4-44.3176.1-172.8-91.1000111.3R637 S638 L639 L643 T644 V645R637-H641 PolarHBondContact O-N 3.13Å; S638-H641 PolarHBondContact O-N 3.11Å; L639-H641 VanDerWaalsContact C-N 3.26Å; L639-H641 PolarHBondContact O-N 3.08Å; H641-L643 PolarHBondContact O-N 3.06Å; H641-T644 WeakPolarHBondContact CA-OG1 3.43Å; H641-T644 PolarHBondContact O-N 3.42Å; H641-T644 PolarHBondContact O-OG1 3.46Å; H641-V645 VanDerWaalsContact O-CG2 3.26Å; H641-V645 WeakPolarHBondContact O-CG2 3.37Å; H641-V645 PolarHBondContact O-N 2.89Å; H641-V645 VanDerWaalsContact O-N 3.13Å
642M76.7Confident73.7Confident85 Ų8574.5 Ų74.542%0.41936%0.363SS..Hα-helixtrans-60.4-45.5176.9-175.8-163.374.900112.5S638 L639 R646S638-M642 PolarHBondContact O-N 3.11Å; L639-M642 HydrophobicContact CD1-CE 3.63Å; L639-M642 PolarHBondContact O-N 3.19Å; M642-R646 PolarHBondContact O-N 3.18Å; M642-R646 VanDerWaalsContact O-N 3.16Å
643L74.4Confident72.7Confident15 Ų1576.8 Ų76.88%0.07938%0.38CS..Hα-helixtrans-70.7-37.6-178.4-70175.5000112.8E426 Q429 L639 H641 R646 L647E426-L643 HydrophobicContact CG-CD2 4.34Å; Q429-L643 HydrophobicContact CB-CD1 3.83Å; Q429-L643 HydrophobicContact CG-CD1 3.82Å; L639-L643 HydrophobicContact CD1-CD1 4.44Å; L639-L643 HydrophobicContact CD2-CD1 4.18Å; L639-L643 HydrophobicContact CG-CD1 4Å; L639-L643 HydrophobicContact CG-CG 4.39Å; L639-L643 PolarHBondContact O-N 3.03Å; H641-L643 PolarHBondContact O-N 3.06Å; L643-R646 PolarHBondContact O-N 2.98Å; L643-L647 WeakPolarHBondContact O-CG 3.11Å; L643-L647 PolarHBondContact O-N 2.95Å
644T74.6Confident71.7Confident73 Ų7376.1 Ų76.145%0.44838%0.378SS..Hα-helixtrans-64.3-41.8176.2460000111.7S640 H641 L647 E648S640-T644 WeakPolarHBondContact O-CB 3.49Å; S640-T644 VanDerWaalsContact O-CG2 3.25Å; S640-T644 WeakPolarHBondContact O-CG2 3.34Å; S640-T644 PolarHBondContact O-N 3.14Å; S640-T644 PolarHBondContact O-OG1 3.45Å; H641-T644 WeakPolarHBondContact CA-OG1 3.43Å; H641-T644 PolarHBondContact O-N 3.42Å; H641-T644 PolarHBondContact O-OG1 3.46Å; T644-L647 PolarHBondContact O-N 2.95Å; T644-E648 WeakPolarHBondContact O-CG 2.76Å; T644-E648 PolarHBondContact O-N 3.47Å; T644-E648 VanDerWaalsContact O-N 3.1Å
645V71.9Confident70.7Confident41 Ų4178.5 Ų78.525%0.24839%0.388CS..Hα-helixtrans-60.3-46.9174.6171.90000111.4H641 L647 E648 E649 K882H641-V645 VanDerWaalsContact O-CG2 3.26Å; H641-V645 WeakPolarHBondContact O-CG2 3.37Å; H641-V645 PolarHBondContact O-N 2.89Å; H641-V645 VanDerWaalsContact O-N 3.13Å; V645-L647 VanDerWaalsContact C-N 3.35Å; V645-L647 PolarHBondContact O-N 3.35Å; V645-E648 PolarHBondContact O-N 3.04Å; V645-E649 WeakPolarHBondContact O-CG 3.44Å; V645-E649 PolarHBondContact O-N 2.77Å; V645-K882 HydrophobicContact CG1-CD 4.35Å
646R69.5Low69.7Low105 Ų10581 Ų8140%0.39639%0.393SS..Hα-helixtrans-59.7-43.1178.7-165.9-176.5-169.3170.55.8112.3E422 M642 L643 E649 E650E422-R646 IonicContact OE1-CZ 3.75Å; E422-R646 IonicContact OE1-NH1 3.84Å; E422-R646 PolarHBondContact OE1-NH1 3.42Å; E422-R646 IonicContact OE1-NH2 2.91Å; E422-R646 PolarHBondContact OE1-NH2 3.42Å; M642-R646 PolarHBondContact O-N 3.18Å; M642-R646 VanDerWaalsContact O-N 3.16Å; L643-R646 PolarHBondContact O-N 2.98Å; R646-E649 PolarHBondContact O-N 3.41Å; R646-E650 PolarHBondContact O-N 3.33Å
647L67.7Low68.7Low46 Ų4682.7 Ų82.724%0.24140%0.404CS..Hα-helixtrans-66-37.3178.7-76.3168.2000113L643 T644 V645 E649 K651L643-L647 WeakPolarHBondContact O-CG 3.11Å; L643-L647 PolarHBondContact O-N 2.95Å; T644-L647 PolarHBondContact O-N 2.95Å; V645-L647 VanDerWaalsContact C-N 3.35Å; V645-L647 PolarHBondContact O-N 3.35Å; L647-E649 VanDerWaalsContact C-N 3.31Å; L647-K651 WeakPolarHBondContact O-CB 3.46Å; L647-K651 VanDerWaalsContact O-CG 3.3Å; L647-K651 WeakPolarHBondContact O-CG 3.43Å; L647-K651 PolarHBondContact O-N 3.32Å
648E68.9Low67.5Low105 Ų10578.4 Ų78.449%0.49140%0.396SS..Hα-helixtrans-63.6-39.2174.7-74.9-179.7176.300111.7T644 V645 K651 L652 K882T644-E648 WeakPolarHBondContact O-CG 2.76Å; T644-E648 PolarHBondContact O-N 3.47Å; T644-E648 VanDerWaalsContact O-N 3.1Å; V645-E648 PolarHBondContact O-N 3.04Å; E648-K651 PolarHBondContact O-N 3.17Å; E648-L652 WeakPolarHBondContact O-CB 3.34Å; E648-L652 WeakPolarHBondContact O-CD1 3.29Å; E648-L652 VanDerWaalsContact O-CG 3.27Å; E648-L652 WeakPolarHBondContact O-CG 3.43Å; E648-L652 PolarHBondContact O-N 3.29Å; E648-K882 IonicContact OE2-NZ 3.87Å; E648-K882 PolarHBondContact OE2-NZ 3.26Å
649E66.3Low66.3Low49 Ų4980.5 Ų80.523%0.22940%0.396CS..Hα-helixtrans-67.7-42.4177.9-70175.8169.700112.4V645 R646 L647 K651 L652 S653 P880 K882V645-E649 WeakPolarHBondContact O-CG 3.44Å; V645-E649 PolarHBondContact O-N 2.77Å; R646-E649 PolarHBondContact O-N 3.41Å; L647-E649 VanDerWaalsContact C-N 3.31Å; E649-K651 VanDerWaalsContact C-N 3.34Å; E649-K651 PolarHBondContact O-N 3.17Å; E649-L652 PolarHBondContact O-N 3.17Å; E649-S653 WeakPolarHBondContact O-CB 3.13Å; E649-S653 PolarHBondContact O-N 2.97Å; E649-S653 PolarHBondContact O-OG 3.22Å; E649-P880 WeakPolarHBondContact OE1-CB 3.43Å; E649-K882 HydrophobicContact CG-CD 4.5Å
650E65.3Low65.3Low78 Ų7889 Ų8936%0.36443%0.433SS..Hα-helixtrans-62-42.7174.4-75.9-179.4-177.200111.5R646 L652 S653 Q654R646-E650 PolarHBondContact O-N 3.33Å; E650-L652 PolarHBondContact O-N 3.38Å; E650-S653 PolarHBondContact O-N 3.42Å; E650-Q654 WeakPolarHBondContact O-CB 3.46Å; E650-Q654 WeakPolarHBondContact O-CG 3.18Å; E650-Q654 PolarHBondContact O-N 2.74Å
651K66.1Low64Low136 Ų13694.2 Ų94.259%0.59145%0.447SS*.Hα-helixtrans-63.4-40.9175.8-75.7176.4-178.8178.80112.3L647 E648 E649 S653 K655L647-K651 WeakPolarHBondContact O-CB 3.46Å; L647-K651 VanDerWaalsContact O-CG 3.3Å; L647-K651 WeakPolarHBondContact O-CG 3.43Å; L647-K651 PolarHBondContact O-N 3.32Å; E648-K651 PolarHBondContact O-N 3.17Å; E649-K651 VanDerWaalsContact C-N 3.34Å; E649-K651 PolarHBondContact O-N 3.17Å; K651-S653 VanDerWaalsContact C-N 3.34Å; K651-K655 WeakPolarHBondContact O-CB 3.34Å; K651-K655 WeakPolarHBondContact O-CG 3.41Å; K651-K655 PolarHBondContact O-N 3.17Å
652L63.9Low62.1Low91 Ų9193 Ų9348%0.47645%0.445SS..Hα-helixtrans-65.5-39.6176.5-76.2163.7000111.5E648 E649 E650 K655 K656E648-L652 WeakPolarHBondContact O-CB 3.34Å; E648-L652 WeakPolarHBondContact O-CD1 3.29Å; E648-L652 VanDerWaalsContact O-CG 3.27Å; E648-L652 WeakPolarHBondContact O-CG 3.43Å; E648-L652 PolarHBondContact O-N 3.29Å; E649-L652 PolarHBondContact O-N 3.17Å; E650-L652 PolarHBondContact O-N 3.38Å; L652-K655 PolarHBondContact O-N 3.31Å; L652-K656 WeakPolarHBondContact O-CG 3.39Å; L652-K656 PolarHBondContact O-N 3.48Å
653S59.1Low60.6Low67 Ų6795.2 Ų95.247%0.46946%0.463SS..Hα-helixtrans-66.4-46.3177.7-56.30000111.6E649 E650 K651 K655 K656 E657E649-S653 WeakPolarHBondContact O-CB 3.13Å; E649-S653 PolarHBondContact O-N 2.97Å; E649-S653 PolarHBondContact O-OG 3.22Å; E650-S653 PolarHBondContact O-N 3.42Å; K651-S653 VanDerWaalsContact C-N 3.34Å; S653-K655 VanDerWaalsContact C-N 3.32Å; S653-K655 PolarHBondContact O-N 3Å; S653-K656 PolarHBondContact O-N 3.35Å; S653-E657 PolarHBondContact O-N 3.26Å
654Q59.4Low58.9Low99 Ų99100.4 Ų100.446%0.46350%0.495SS..Hα-helixtrans-63.1-37.7174.9-73.3176.710.400112.1E650 E657 S658E650-Q654 WeakPolarHBondContact O-CB 3.46Å; E650-Q654 WeakPolarHBondContact O-CG 3.18Å; E650-Q654 PolarHBondContact O-N 2.74Å; Q654-E657 PolarHBondContact O-N 2.93Å; Q654-S658 WeakPolarHBondContact O-CB 3.42Å; Q654-S658 PolarHBondContact O-N 3.08Å; Q654-S658 PolarHBondContact O-OG 2.96Å
655K59.3Low57.6Low130 Ų130102.2 Ų102.257%0.56551%0.506SS*.Hα-helixtrans-61.8-50.6173.1-82-177.5177-172.50111.7K651 L652 S653 E657 S658 E659K651-K655 WeakPolarHBondContact O-CB 3.34Å; K651-K655 WeakPolarHBondContact O-CG 3.41Å; K651-K655 PolarHBondContact O-N 3.17Å; L652-K655 PolarHBondContact O-N 3.31Å; S653-K655 VanDerWaalsContact C-N 3.32Å; S653-K655 PolarHBondContact O-N 3Å; K655-E657 PolarHBondContact O-N 3.49Å; K655-S658 WeakPolarHBondContact CA-OG 3.31Å; K655-S658 PolarHBondContact O-N 3.44Å; K655-S658 VanDerWaalsContact O-N 3.08Å; K655-S658 PolarHBondContact O-OG 2.67Å; K655-E659 WeakPolarHBondContact O-CB 3.45Å; K655-E659 WeakPolarHBondContact O-CG 3.23Å; K655-E659 PolarHBondContact O-N 2.89Å
656K58.2Low56.2Low101 Ų101106.7 Ų106.744%0.43952%0.524SS..Hα-helixtrans-56.6-37.6176.4-74.4179.9-179.2178.10111.7L652 S653 K660 E881L652-K656 WeakPolarHBondContact O-CG 3.39Å; L652-K656 PolarHBondContact O-N 3.48Å; S653-K656 PolarHBondContact O-N 3.35Å; K656-K660 WeakPolarHBondContact O-CG 3.31Å; K656-K660 PolarHBondContact O-N 3.02Å; K656-E881 IonicContact NZ-OE1 4Å; K656-E881 PolarHBondContact NZ-OE1 3.34Å; K656-E881 VanDerWaalsContact NZ-OE1 3.07Å; K656-E881 IonicContact NZ-OE2 3.83Å; K656-E881 PolarHBondContact NZ-OE2 3.25Å; K656-E881 VanDerWaalsContact NZ-OE2 3.13Å
657E54.5Low55.6Low108 Ų108106.9 Ų106.951%0.50555%0.548SS..Hα-helixtrans-71.6-40.5174.5-75.5-176.4176.300113.2S653 Q654 K655 K660 R661S653-E657 PolarHBondContact O-N 3.26Å; Q654-E657 PolarHBondContact O-N 2.93Å; K655-E657 PolarHBondContact O-N 3.49Å; E657-K660 PolarHBondContact O-N 3.05Å; E657-R661 WeakPolarHBondContact O-CG 2.68Å; E657-R661 PolarHBondContact O-N 3.27Å
658S53.7Low55.1Low53 Ų53111.7 Ų111.737%0.37157%0.574SS.*Hα-helixtrans-68-34.6176.970.40000112.8Q654 K655 K660 R661 N662Q654-S658 WeakPolarHBondContact O-CB 3.42Å; Q654-S658 PolarHBondContact O-N 3.08Å; Q654-S658 PolarHBondContact O-OG 2.96Å; K655-S658 WeakPolarHBondContact CA-OG 3.31Å; K655-S658 PolarHBondContact O-N 3.44Å; K655-S658 VanDerWaalsContact O-N 3.08Å; K655-S658 PolarHBondContact O-OG 2.67Å; S658-K660 VanDerWaalsContact C-N 3.35Å; S658-R661 WeakPolarHBondContact O-CB 3.47Å; S658-R661 PolarHBondContact O-N 3.21Å; S658-R661 VanDerWaalsContact O-N 3.09Å; S658-N662 PolarHBondContact O-N 3.38Å
659E53.7Low54.4Low128 Ų128110.5 Ų110.560%0.59857%0.571SS**Hα-helixtrans-67.5-35.8175.4-75.5172.3-179.900111.4K655 R661 N662K655-E659 WeakPolarHBondContact O-CB 3.45Å; K655-E659 WeakPolarHBondContact O-CG 3.23Å; K655-E659 PolarHBondContact O-N 2.89Å; E659-R661 VanDerWaalsContact C-N 3.25Å; E659-R661 PolarHBondContact O-N 3.08Å; E659-N662 PolarHBondContact O-N 3.41Å
660K53.4Low53.8Low190 Ų190113.6 Ų113.683%0.82660%0.595SS**Hα-helixtrans-65.1-26.8169.9-75-179.8178.4-1760113.4K656 E657 S658K656-K660 WeakPolarHBondContact O-CG 3.31Å; K656-K660 PolarHBondContact O-N 3.02Å; E657-K660 PolarHBondContact O-N 3.05Å; S658-K660 VanDerWaalsContact C-N 3.35Å
661R48.7Very low53.3Low148 Ų148116.1 Ų116.156%0.55861%0.61SS**Hα-helixtrans-83-25.7178.5-68.6177.3-169.4-177.16.1112.8E657 S658 E659 V663E657-R661 WeakPolarHBondContact O-CG 2.68Å; E657-R661 PolarHBondContact O-N 3.27Å; S658-R661 WeakPolarHBondContact O-CB 3.47Å; S658-R661 PolarHBondContact O-N 3.21Å; S658-R661 VanDerWaalsContact O-N 3.09Å; E659-R661 VanDerWaalsContact C-N 3.25Å; E659-R661 PolarHBondContact O-N 3.08Å; R661-V663 PolarHBondContact O-N 3.27Å; R661-V663 VanDerWaalsContact O-N 3.13Å
662N39.4Very low52.2Low105 Ų105113.8 Ų113.856%0.56161%0.611SS**SBendtrans-77.4100.1175.6-72.2-19.6000109.5S658 E659 T664S658-N662 PolarHBondContact O-N 3.38Å; E659-N662 PolarHBondContact O-N 3.41Å; N662-T664 VanDerWaalsContact C-N 3.27Å; N662-T664 PolarHBondContact O-N 3.39Å
663V44.6Very low51.5Low132 Ų132115.5 Ų115.580%0.861%0.614SS**  trans-62.595.9162.6-178.40000106.9R661 V665R661-V663 PolarHBondContact O-N 3.27Å; R661-V663 VanDerWaalsContact O-N 3.13Å; V663-V665 HydrophobicContact CG1-CG2 4.11Å; V663-V665 PolarHBondContact O-N 3.11Å
664T38.7Very low50.5Low124 Ų124120.8 Ų120.876%0.76163%0.634SS**  trans-79.1104.3173.342.30000107N662N662-T664 VanDerWaalsContact C-N 3.27Å; N662-T664 PolarHBondContact O-N 3.39Å
665V46.8Very low49.8Very low111 Ų111125 Ų12567%0.67365%0.654SS**  trans-85.1119.7169.7-176.20000106.5V663 D669V663-V665 HydrophobicContact CG1-CG2 4.11Å; V663-V665 PolarHBondContact O-N 3.11Å; V665-D669 HydrophobicContact CG1-CB 3.97Å
666Q43.7Very low48.9Very low135 Ų135125.9 Ų125.963%0.63166%0.664SS**  trans-69.4147.1174.5-83.6-155.3-22.500109.8D668 D669Q666-D668 PolarHBondContact O-N 3.04Å; Q666-D668 VanDerWaalsContact O-N 3.15Å; Q666-D669 PolarHBondContact N-OD2 3.12Å; Q666-D669 WeakPolarHBondContact O-CB 3.36Å; Q666-D669 PolarHBondContact O-N 3.48Å
667A55.8Low48Very low108 Ų108123.9 Ų123.989%0.89366%0.66SS**THydrogen-bonded Turntrans-61.5-23.7179.100000113.1
668D57Low47.2Very low148 Ų148122.3 Ų122.379%0.79167%0.666SS**THydrogen-bonded Turntrans-93.40.9177.4-63.2-33.7000113Q666Q666-D668 PolarHBondContact O-N 3.04Å; Q666-D668 VanDerWaalsContact O-N 3.15Å
669D54.4Low46.6Very low79 Ų79129.4 Ų129.442%0.42269%0.69SS.*SBendtrans-61.8128.9173.3-80.1-28.2000108.8V665 Q666 I671V665-D669 HydrophobicContact CG1-CB 3.97Å; Q666-D669 PolarHBondContact N-OD2 3.12Å; Q666-D669 WeakPolarHBondContact O-CB 3.36Å; Q666-D669 PolarHBondContact O-N 3.48Å; D669-I671 PolarHBondContact O-N 3.19Å
670P54.6Low45.6Very low114 Ų114131 Ų13174%0.7470%0.702SS**  trans-60.2128.1-172.222.3-32.1000110.6S672P670-S672 PolarHBondContact O-N 2.87Å
671I54.3Low44.7Very low132 Ų132129.3 Ų129.368%0.67770%0.698SS**  trans-64.5105.9172.3-59.9174.2000107.6D669 F673D669-I671 PolarHBondContact O-N 3.19Å; I671-F673 HydrophobicContact CB-CE2 4.15Å; I671-F673 HydrophobicContact CB-CZ 4.34Å; I671-F673 HydrophobicContact CG2-CD2 4.46Å; I671-F673 HydrophobicContact CG2-CE1 4.2Å; I671-F673 HydrophobicContact CG2-CE2 4.05Å; I671-F673 HydrophobicContact CG2-CZ 3.9Å; I671-F673 WeakPolarHBondContact O-CD2 3.26Å; I671-F673 PolarHBondContact O-N 3.09Å; I671-F673 VanDerWaalsContact O-N 3.08Å
672S43.1Very low43.9Very low86 Ų86128.4 Ų128.460%0.60170%0.701SS**  trans-68.7101.5174.7166.90000109.6P670 M674P670-S672 PolarHBondContact O-N 2.87Å; S672-M674 PolarHBondContact O-N 3.48Å
673F48.7Very low43.6Very low127 Ų127130.9 Ų130.956%0.55772%0.72SS**  trans-79.3111.6169.7-64.9-82.4000108.4I671 Q675 L676 T677I671-F673 HydrophobicContact CB-CE2 4.15Å; I671-F673 HydrophobicContact CB-CZ 4.34Å; I671-F673 HydrophobicContact CG2-CD2 4.46Å; I671-F673 HydrophobicContact CG2-CE1 4.2Å; I671-F673 HydrophobicContact CG2-CE2 4.05Å; I671-F673 HydrophobicContact CG2-CZ 3.9Å; I671-F673 WeakPolarHBondContact O-CD2 3.26Å; I671-F673 PolarHBondContact O-N 3.09Å; I671-F673 VanDerWaalsContact O-N 3.08Å; F673-Q675 PolarHBondContact O-N 3.3Å; F673-L676 HydrophobicContact CB-CB 4.33Å; F673-L676 HydrophobicContact CB-CD1 4.08Å; F673-L676 HydrophobicContact CB-CG 4.39Å; F673-L676 PolarHBondContact O-N 2.98Å; F673-T677 PolarHBondContact O-N 3Å; F673-T677 PolarHBondContact O-OG1 2.83Å
674M38.4Very low43.1Very low179 Ų179126.6 Ų126.688%0.88270%0.696SS**THydrogen-bonded Turntrans-48.6-21.9-179.6-108.7-178.86200115.6S672S672-M674 PolarHBondContact O-N 3.48Å
675Q44.7Very low43.3Very low188 Ų188126.7 Ų126.788%0.87969%0.686SS**THydrogen-bonded Turntrans-89-11.9-179.5-71163.6-22.200113.3F673F673-Q675 PolarHBondContact O-N 3.3Å
676L41.6Very low43Very low147 Ų147127.5 Ų127.577%0.7768%0.682SS**THydrogen-bonded Turntrans-117.5-7.2-173.6-65.8172.6000113.1F673F673-L676 HydrophobicContact CB-CB 4.33Å; F673-L676 HydrophobicContact CB-CD1 4.08Å; F673-L676 HydrophobicContact CB-CG 4.39Å; F673-L676 PolarHBondContact O-N 2.98Å
677T38.9Very low43.1Very low60 Ų60123.4 Ų123.437%0.36867%0.665SS.*SBendtrans-74.4126.6171.620.10000110.6F673F673-T677 PolarHBondContact O-N 3Å; F673-T677 PolarHBondContact O-OG1 2.83Å
678A36.8Very low42.6Very low75 Ų75121.8 Ų121.862%0.6264%0.639SS**  trans-60.6140.2175.200000110N680 E681A678-N680 PolarHBondContact O-N 3.31Å; A678-E681 PolarHBondContact O-N 2.97Å; A678-E681 VanDerWaalsContact O-N 3.1Å
679K41.3Very low41.8Very low201 Ų201118.3 Ų118.387%0.87462%0.617SS**THydrogen-bonded Turntrans-50.3-7.4-175.1-86.7-177.2172.9-178.60116.9
680N33.7Very low41.3Very low162 Ų162120 Ų12087%0.86662%0.622SS**THydrogen-bonded Turntrans-106.1-5.7-177.6-78.70.8000115.2A678A678-N680 PolarHBondContact O-N 3.31Å
681E33.1Very low40.9Very low155 Ų155118.1 Ų118.172%0.72461%0.605SS**  trans-110.668171.1-78-172.7159.700109.6A678A678-E681 PolarHBondContact O-N 2.97Å; A678-E681 VanDerWaalsContact O-N 3.1Å
682M32Very low40.4Very low129 Ų129113.7 Ų113.764%0.63559%0.586SS**  trans-97.493.8170.4-127.2162.575.500108S684M682-S684 WeakPolarHBondContact CB-OG 3.44Å; M682-S684 WeakPolarHBondContact CE-OG 2.9Å; M682-S684 WeakPolarHBondContact CG-OG 3.43Å; M682-S684 PolarHBondContact O-N 3.4Å; M682-S684 PolarHBondContact O-OG 3.29Å
683T34.4Very low40.2Very low157 Ų157113.9 Ų113.996%0.96358%0.58SS**  trans-67.835.4153.7-2.20000110.6
684S34.3Very low39.7Very low42 Ų42110.9 Ų110.929%0.29457%0.569SS.*SBendtrans-82.4123.6166.846.80000106.9M682 E686M682-S684 WeakPolarHBondContact CB-OG 3.44Å; M682-S684 WeakPolarHBondContact CE-OG 2.9Å; M682-S684 WeakPolarHBondContact CG-OG 3.43Å; M682-S684 PolarHBondContact O-N 3.4Å; M682-S684 PolarHBondContact O-OG 3.29Å; S684-E686 PolarHBondContact O-N 3.43Å
685K43Very low39.9Very low125 Ų125104.7 Ų104.754%0.54355%0.547SS..  trans-9.999.8162.6-62.9-175.5-178.7-172.30110.9T270 D687T270-K685 HydrophobicContact CG2-CD 4.18Å; T270-K685 PolarHBondContact O-NZ 3.01Å; K685-D687 PolarHBondContact O-N 3.19Å
686E39Very low39.5Very low128 Ų128100 Ų10060%0.59854%0.54SS*.  trans-48.6139.4-179.9-66.1174.813700108.6S684 Q688 L691S684-E686 PolarHBondContact O-N 3.43Å; E686-Q688 VanDerWaalsContact C-N 3.33Å; E686-Q688 PolarHBondContact O-N 3.25Å; E686-L691 HydrophobicContact CB-CD1 3.49Å; E686-L691 VanDerWaalsContact CB-CD1 3.49Å; E686-L691 HydrophobicContact CG-CD1 4.23Å; E686-L691 WeakPolarHBondContact OE2-CD1 3.15Å
687D45.8Very low39.2Very low50 Ų5099.5 Ų99.527%0.26754%0.535SS..  trans-53.895.6-177.4-153.940.1000107.9Y232 K685 F689 Q690 L691Y232-D687 WeakPolarHBondContact CE1-OD1 3.42Å; Y232-D687 WeakPolarHBondContact OH-CA 3.36Å; Y232-D687 PolarHBondContact OH-OD1 3.09Å; K685-D687 PolarHBondContact O-N 3.19Å; D687-F689 PolarHBondContact O-N 3.38Å; D687-Q690 HydrophobicContact CB-CB 3.81Å; D687-Q690 CarbonylContact O-C 3.51Å; D687-Q690 WeakPolarHBondContact O-CA 3.44Å; D687-Q690 WeakPolarHBondContact O-CB 3.47Å; D687-Q690 PolarHBondContact O-N 2.88Å; D687-L691 PolarHBondContact O-N 3.45Å
688Q45.8Very low38.9Very low73 Ų7398.1 Ų98.134%0.34153%0.533SS..Hα-helixtrans-56.4-26.6-171.8-87.8-173.4-3.600111.1Y232 T270 E686 S692Y232-Q688 PolarHBondContact OH-N 3.25Å; T270-Q688 PolarHBondContact OG1-OE1 3.3Å; T270-Q688 VanDerWaalsContact OG1-OE1 3.06Å; E686-Q688 VanDerWaalsContact C-N 3.33Å; E686-Q688 PolarHBondContact O-N 3.25Å; Q688-S692 WeakPolarHBondContact O-CB 3.22Å; Q688-S692 PolarHBondContact O-N 3.4Å; Q688-S692 PolarHBondContact O-OG 2.84Å; Q688-S692 VanDerWaalsContact O-OG 3.05Å
689F40.6Very low38.8Very low76 Ų7698 Ų9833%0.33352%0.522SS..Hα-helixtrans-70.7-42172.8-168.8-97.5000112.9E229 Y232 D687 L691 S692 L693E229-F689 HydrophobicContact CG-CZ 4.46Å; Y232-F689 HydrophobicContact CE1-CB 4.26Å; D687-F689 PolarHBondContact O-N 3.38Å; F689-L691 VanDerWaalsContact C-N 3.33Å; F689-S692 WeakPolarHBondContact CA-OG 3.36Å; F689-S692 PolarHBondContact O-OG 3.49Å; F689-L693 WeakPolarHBondContact O-CB 3.15Å; F689-L693 PolarHBondContact O-N 3.43Å
690Q43.8Very low38.4Very low115 Ų11593.1 Ų93.154%0.53751%0.509SS..Hα-helixtrans-70.2-34.2173.2-159.9174.35.300111D687 L693 L694D687-Q690 HydrophobicContact CB-CB 3.81Å; D687-Q690 CarbonylContact O-C 3.51Å; D687-Q690 WeakPolarHBondContact O-CA 3.44Å; D687-Q690 WeakPolarHBondContact O-CB 3.47Å; D687-Q690 PolarHBondContact O-N 2.88Å; Q690-L693 PolarHBondContact O-N 3.46Å; Q690-L694 HydrophobicContact CG-CD1 4.2Å; Q690-L694 WeakPolarHBondContact O-CB 3.48Å; Q690-L694 WeakPolarHBondContact O-CD1 3.26Å; Q690-L694 WeakPolarHBondContact O-CG 3.33Å; Q690-L694 PolarHBondContact O-N 3.22Å
691L45.3Very low38.7Very low73 Ų7393.2 Ų93.238%0.38250%0.504SS..Hα-helixtrans-73.2-37.1177.7-142.6149.1000111.9E686 D687 F689 A695E686-L691 HydrophobicContact CB-CD1 3.49Å; E686-L691 VanDerWaalsContact CB-CD1 3.49Å; E686-L691 HydrophobicContact CG-CD1 4.23Å; E686-L691 WeakPolarHBondContact OE2-CD1 3.15Å; D687-L691 PolarHBondContact O-N 3.45Å; F689-L691 VanDerWaalsContact C-N 3.33Å; L691-A695 WeakPolarHBondContact O-CB 3.45Å; L691-A695 PolarHBondContact O-N 3.49Å
692S44Very low38.7Very low39 Ų3992 Ų9227%0.27349%0.493SS..Hα-helixtrans-71.5-36.3171.167.10000111.9Q688 F689 A695 A696Q688-S692 WeakPolarHBondContact O-CB 3.22Å; Q688-S692 PolarHBondContact O-N 3.4Å; Q688-S692 PolarHBondContact O-OG 2.84Å; Q688-S692 VanDerWaalsContact O-OG 3.05Å; F689-S692 WeakPolarHBondContact CA-OG 3.36Å; F689-S692 PolarHBondContact O-OG 3.49Å; S692-A695 PolarHBondContact O-N 3.26Å; S692-A696 WeakPolarHBondContact O-CB 3.25Å; S692-A696 PolarHBondContact O-N 2.99Å
693L38.3Very low38.7Very low91 Ų9196.4 Ų96.448%0.47651%0.509SS..Hα-helixtrans-66-43.5171.9-172.770.8000111.2F689 Q690 A696 M697F689-L693 WeakPolarHBondContact O-CB 3.15Å; F689-L693 PolarHBondContact O-N 3.43Å; Q690-L693 PolarHBondContact O-N 3.46Å; L693-A696 CarbonylContact O-C 3.56Å; L693-A696 PolarHBondContact O-N 3.14Å; L693-M697 HydrophobicContact CG-SD 4.19Å; L693-M697 VanDerWaalsContact O-CB 3.31Å; L693-M697 WeakPolarHBondContact O-CB 3.27Å; L693-M697 WeakPolarHBondContact O-CG 3.4Å; L693-M697 PolarHBondContact O-N 3.29Å
694L40.2Very low38.5Very low63 Ų6394.7 Ų94.733%0.3349%0.49SS..Hα-helixtrans-65.3-39.7174.9-76.4164.4000111.6Q690 M697 G698 N699Q690-L694 HydrophobicContact CG-CD1 4.2Å; Q690-L694 WeakPolarHBondContact O-CB 3.48Å; Q690-L694 WeakPolarHBondContact O-CD1 3.26Å; Q690-L694 WeakPolarHBondContact O-CG 3.33Å; Q690-L694 PolarHBondContact O-N 3.22Å; L694-M697 CarbonylContact O-C 3.47Å; L694-M697 PolarHBondContact O-N 2.88Å; L694-G698 PolarHBondContact O-N 2.92Å; L694-N699 HydrophobicContact CB-CB 4.37Å; L694-N699 HydrophobicContact CD2-CB 4.47Å; L694-N699 PolarHBondContact O-N 3.21Å
695A42.6Very low38.3Very low50 Ų5097.4 Ų97.441%0.41352%0.515SS..Hα-helixtrans-66.7-40173.600000112L691 S692 M697 G698L691-A695 WeakPolarHBondContact O-CB 3.45Å; L691-A695 PolarHBondContact O-N 3.49Å; S692-A695 PolarHBondContact O-N 3.26Å; A695-M697 VanDerWaalsContact C-N 3.25Å; A695-M697 PolarHBondContact O-N 2.82Å; A695-G698 PolarHBondContact O-N 3.43Å
696A36.3Very low37.7Very low88 Ų8896 Ų9673%0.72753%0.526SS*.Hα-helixtrans-68.4-25.3173.100000112.5S692 L693 G698S692-A696 WeakPolarHBondContact O-CB 3.25Å; S692-A696 PolarHBondContact O-N 2.99Å; L693-A696 CarbonylContact O-C 3.56Å; L693-A696 PolarHBondContact O-N 3.14Å; A696-G698 VanDerWaalsContact C-N 3.31Å
697M34Very low37.4Very low137 Ų13795 Ų9568%0.67553%0.525SS*.THydrogen-bonded Turntrans-86.74.7169.6-68.3177.570.500113.1L693 L694 A695L693-M697 HydrophobicContact CG-SD 4.19Å; L693-M697 VanDerWaalsContact O-CB 3.31Å; L693-M697 WeakPolarHBondContact O-CB 3.27Å; L693-M697 WeakPolarHBondContact O-CG 3.4Å; L693-M697 PolarHBondContact O-N 3.29Å; L694-M697 CarbonylContact O-C 3.47Å; L694-M697 PolarHBondContact O-N 2.88Å; A695-M697 VanDerWaalsContact C-N 3.25Å; A695-M697 PolarHBondContact O-N 2.82Å
698G33.8Very low37Very low31 Ų3197.7 Ų97.732%0.3255%0.545SS..THydrogen-bonded Turntrans89.5-0.2172.600000116.6L694 A695 A696 T700L694-G698 PolarHBondContact O-N 2.92Å; A695-G698 PolarHBondContact O-N 3.43Å; A696-G698 VanDerWaalsContact C-N 3.31Å; G698-T700 PolarHBondContact O-N 2.92Å
699N34.2Very low36.5Very low73 Ų73101 Ų10139%0.3957%0.565SS.*  trans-83.581.1177.3-87.77.2000111.1L694 Q701L694-N699 HydrophobicContact CB-CB 4.37Å; L694-N699 HydrophobicContact CD2-CB 4.47Å; L694-N699 PolarHBondContact O-N 3.21Å; N699-Q701 PolarHBondContact O-N 3.47Å
700T33.4Very low36.3Very low99 Ų9999.9 Ų99.961%0.60757%0.569SS**  trans-76.1102.8164.432.80000108.8G698 R702G698-T700 PolarHBondContact O-N 2.92Å; T700-R702 PolarHBondContact O-N 2.84Å
701Q38.6Very low36.7Very low163 Ų16396.4 Ų96.476%0.76256%0.558SS**  trans-68.3117171.3-73.6-161.4700109.7N699N699-Q701 PolarHBondContact O-N 3.47Å
702R33.8Very low36.8Very low129 Ų12999.6 Ų99.649%0.48757%0.569SS.*  trans-55.7136.7150.7-72.3178.3176.6170.90.9107T700 E704 D828T700-R702 PolarHBondContact O-N 2.84Å; R702-E704 HydrophobicContact CB-CG 4.08Å; R702-E704 PolarHBondContact O-N 3.34Å; R702-D828 PolarHBondContact NH2-O 3.07Å; R702-D828 VanDerWaalsContact NH2-O 3.12Å
703K31.5Very low37.3Very low222 Ų222104.1 Ų104.197%0.96559%0.589SS**  trans-60.384.2160.3-84.7179173.7172.50108A705K703-A705 PolarHBondContact O-N 3.33Å
704E30.2Very low38.1Very low122 Ų122106.5 Ų106.557%0.5760%0.602SS**  trans-90.497.1168.5-77.3179.1-179.500107.4R702R702-E704 HydrophobicContact CB-CG 4.08Å; R702-E704 PolarHBondContact O-N 3.34Å
705A30.2Very low39.3Very low99 Ų99108 Ų10882%0.81861%0.606SS**  trans-67132.8160.100000108.2K703K703-A705 PolarHBondContact O-N 3.33Å
706A31.4Very low40.9Very low94 Ų94108.2 Ų108.278%0.77760%0.602SS**SBendtrans90.6107.1176.100000117.2
707D31.6Very low43.1Very low109 Ų109106.6 Ų106.658%0.58358%0.583SS**  trans66.585.2151.9-138.4-6.9000119.5L709 A710D707-L709 VanDerWaalsContact C-N 3.28Å; D707-L709 PolarHBondContact O-N 3.34Å; D707-A710 HydrophobicContact CB-CB 4.4Å; D707-A710 PolarHBondContact O-N 3.04Å
708P38.5Very low45.8Very low105 Ų105104.2 Ų104.268%0.68257%0.57SS**THydrogen-bonded Turntrans-69.9-10.3-175.523.9-31.1000116.1
709L33.6Very low48.4Very low144 Ų144103.1 Ų103.175%0.75456%0.557SS**THydrogen-bonded Turntrans-91.6-31.9175.1-96.9109.3000113.5D707D707-L709 VanDerWaalsContact C-N 3.28Å; D707-L709 PolarHBondContact O-N 3.34Å
710A36.2Very low51.1Low52 Ų52100 Ų10043%0.4354%0.541SS..Hα-helixtrans-74.5-30.7-179.200000112.5D707D707-A710 HydrophobicContact CB-CB 4.4Å; D707-A710 PolarHBondContact O-N 3.04Å
711S52.3Low53.5Low42 Ų4296.7 Ų96.729%0.29453%0.526SS..Hα-helixtrans-78.1-25.8-173.6-174.20000115
712K48.5Very low55.6Low140 Ų14095.5 Ų95.561%0.60952%0.519SS*.Hα-helixtrans-75.9-35.4-177.5-72.5-175.6179.11790112.4Y731K712-Y731 VanDerWaalsContact O-CE2 3.3Å; K712-Y731 WeakPolarHBondContact O-CE2 3.13Å
713L53.1Low58Low133 Ų13395.1 Ų95.170%0.69654%0.536SS*.Hα-helixtrans-76.8-23.8-179.4-69.1166.8000113K715 V716L713-K715 PolarHBondContact O-N 3.22Å; L713-V716 PolarHBondContact O-N 2.95Å
714N56.8Low60.7Low141 Ų14187.2 Ų87.275%0.75450%0.504SS*.THydrogen-bonded Turntrans-67.4-12.4176.4-82-14.5000114.4
715K63.8Low63.4Low96 Ų9683.8 Ų83.842%0.41749%0.493SS..THydrogen-bonded Turntrans-103.58.1179.3-66.2-171.1179.2-173.20113.8L713 Y731L713-K715 PolarHBondContact O-N 3.22Å; K715-Y731 HydrophobicContact CB-CD2 4.33Å; K715-Y731 HydrophobicContact CB-CE2 3.92Å
716V77.2Confident66.2Low54 Ų5479.1 Ų79.133%0.32745%0.454SS..EExtended strand (participates in β ladder)trans-86.3118.8174.2-177.90000108.5L713 E729 A730 Y731L713-V716 PolarHBondContact O-N 2.95Å; V716-E729 HydrophobicContact CG1-CB 3.99Å; V716-E729 HydrophobicContact CG1-CG 4.33Å; V716-A730 WeakPolarHBondContact CA-O 3.5Å; V716-Y731 HydrophobicContact CG2-CD2 3.96Å
717T83.2Confident69.1Low53 Ų5375.9 Ų75.933%0.32542%0.422SS..EExtended strand (participates in β ladder)trans-101.2118.3175.7-54.90000108.6L719 A730T717-L719 HydrophobicContact CG2-CD2 4.31Å; T717-L719 PolarHBondContact O-N 3.26Å; T717-A730 PolarHBondContact N-O 2.73Å; T717-A730 PolarHBondContact O-N 3.42Å
718Q89.4Confident71.9Confident88 Ų8870.7 Ų70.741%0.41139%0.394SS..EExtended strand (participates in β ladder)trans-69.5126.4172-178.3175.62.600109.5T720 Y727Q718-T720 VanDerWaalsContact CG-O 3.23Å; Q718-T720 WeakPolarHBondContact CG-O 3.41Å; Q718-T720 PolarHBondContact NE2-O 3.43Å; Q718-Y727 HydrophobicContact CG-CE2 4.23Å
719L88Confident74.4Confident8 Ų868.4 Ų68.44%0.04237%0.374CS..  trans-101.9-30.4-176.3-59.5179.4000113.3T717 A728 A730 V743 L819 S820 I822T717-L719 HydrophobicContact CG2-CD2 4.31Å; T717-L719 PolarHBondContact O-N 3.26Å; L719-A728 HydrophobicContact CB-CB 4.22Å; L719-A728 WeakPolarHBondContact CB-O 3.23Å; L719-A728 PolarHBondContact N-O 3.27Å; L719-A730 HydrophobicContact CD1-CB 3.63Å; L719-A730 HydrophobicContact CD2-CB 4.26Å; L719-A730 HydrophobicContact CG-CB 4Å; L719-V743 HydrophobicContact CD1-CG1 3.98Å; L719-L819 HydrophobicContact CB-CB 4.25Å; L719-L819 HydrophobicContact CB-CD2 3.94Å; L719-L819 HydrophobicContact CD1-CD1 4.22Å; L719-S820 WeakPolarHBondContact CD2-O 3.47Å; L719-S820 WeakPolarHBondContact O-CB 3.45Å; L719-S820 PolarHBondContact O-N 3.47Å; L719-I822 HydrophobicContact CD1-CD1 4.45Å; L719-I822 HydrophobicContact CD2-CD1 3.8Å; L719-I822 HydrophobicContact CD2-CG1 3.51Å
720T90.7Very high77Confident7 Ų761.6 Ų61.64%0.04334%0.338CS..SBendtrans-130.5158.8177.165.10000111.6Q718 D724 V726 Y727 A728 V817 L819Q718-T720 VanDerWaalsContact CG-O 3.23Å; Q718-T720 WeakPolarHBondContact CG-O 3.41Å; Q718-T720 PolarHBondContact NE2-O 3.43Å; T720-D724 WeakPolarHBondContact CB-OD2 3.5Å; T720-V726 PolarHBondContact OG1-O 3.05Å; T720-Y727 WeakPolarHBondContact OG1-CA 3.26Å; T720-A728 HydrophobicContact CG2-CB 4.18Å; T720-A728 PolarHBondContact N-O 3.41Å; T720-A728 PolarHBondContact OG1-N 2.95Å; T720-V817 HydrophobicContact CG2-CG1 3.58Å; T720-L819 HydrophobicContact CG2-CD2 3.39Å
721G85.5Confident79.4Confident30 Ų3062.5 Ų62.531%0.30933%0.331SS..  trans-76159179.200000112.3S723 D724G721-S723 PolarHBondContact O-N 3.01Å; G721-S723 VanDerWaalsContact O-N 3.11Å; G721-D724 PolarHBondContact N-OD2 3.39Å; G721-D724 PolarHBondContact O-N 3.34Å; G721-D724 VanDerWaalsContact O-N 3.17Å
722F82.3Confident80.9Confident138 Ų13861.5 Ų61.561%0.60532%0.323SS*.THydrogen-bonded Turntrans-67.2-7173.5-65-73.1000114.2Y727 Q748F722-Y727 AromaticContact CD1-CD2 3.95Å; F722-Y727 HydrophobicContact CD1-CD2 3.95Å; F722-Y727 AromaticContact CD1-CE2 3.78Å; F722-Y727 HydrophobicContact CD1-CE2 3.78Å; F722-Y727 HydrophobicContact CE1-CD2 4.08Å; F722-Y727 AromaticContact CE1-CE2 3.46Å; F722-Y727 HydrophobicContact CE1-CE2 3.46Å; F722-Y727 VanDerWaalsContact CE1-CE2 3.46Å; F722-Y727 AromaticContact CE1-CZ 3.88Å; F722-Y727 AromaticContact CZ-CE2 3.96Å; F722-Y727 HydrophobicContact CZ-CE2 3.96Å; F722-Q748 PolarHBondContact O-OE1 2.95Å
723S83.6Confident82.4Confident120 Ų12057.6 Ų57.684%0.83931%0.307SS*.THydrogen-bonded Turntrans-98.7-6.3177.7-54.80000112.6G721G721-S723 PolarHBondContact O-N 3.01Å; G721-S723 VanDerWaalsContact O-N 3.11Å
724D88.3Confident83.3Confident56 Ų5653.2 Ų53.230%0.29929%0.286SS..SBendtrans-80.6145.5-179.4-65.6-36.1000110.2T720 G721 V726 Q748 V817T720-D724 WeakPolarHBondContact CB-OD2 3.5Å; G721-D724 PolarHBondContact N-OD2 3.39Å; G721-D724 PolarHBondContact O-N 3.34Å; G721-D724 VanDerWaalsContact O-N 3.17Å; D724-V726 PolarHBondContact O-N 3.02Å; D724-Q748 PolarHBondContact O-OE1 2.92Å; D724-V817 HydrophobicContact CB-CG1 4.22Å
725P86.3Confident84.1Confident51 Ų5148.5 Ų48.533%0.33126%0.26SS..SBendtrans-55.8-28.3179.4-26.734.9000114.1Q748 T749 Y805P725-Q748 PolarHBondContact O-N 3.22Å; P725-T749 HydrophobicContact CB-CG2 3.74Å; P725-Y805 VanDerWaalsContact CB-OH 3.27Å; P725-Y805 WeakPolarHBondContact CB-OH 3.47Å
726V89.2Confident84.4Confident0 Ų048.8 Ų48.80%026%0.263CS..EExtended strand (participates in β ladder)trans-123.3118.2176.5-177.10000108.8T720 D724 V745 V746 L753 I803 Y805 V817T720-V726 PolarHBondContact OG1-O 3.05Å; D724-V726 PolarHBondContact O-N 3.02Å; V726-V745 HydrophobicContact CG1-CG1 3.3Å; V726-V746 WeakPolarHBondContact CA-O 3.41Å; V726-L753 HydrophobicContact CG2-CD1 3.44Å; V726-L753 VanDerWaalsContact CG2-CD1 3.44Å; V726-I803 HydrophobicContact CG1-CD1 4.1Å; V726-I803 HydrophobicContact CG1-CG2 4.32Å; V726-Y805 HydrophobicContact CG2-CD1 3.91Å; V726-Y805 HydrophobicContact CG2-CE1 3.78Å; V726-Y805 HydrophobicContact CG2-CG 4.49Å; V726-V817 HydrophobicContact CB-CG2 4.3Å
727Y92.4Very high84.3Confident27 Ų2752.2 Ų52.211%0.10627%0.271CS..EExtended strand (participates in β ladder)trans-88133.9172.9175.4-96.7000110.4Q718 T720 F722 E729 V745 V746Q718-Y727 HydrophobicContact CG-CE2 4.23Å; T720-Y727 WeakPolarHBondContact OG1-CA 3.26Å; F722-Y727 AromaticContact CD1-CD2 3.95Å; F722-Y727 HydrophobicContact CD1-CD2 3.95Å; F722-Y727 AromaticContact CD1-CE2 3.78Å; F722-Y727 HydrophobicContact CD1-CE2 3.78Å; F722-Y727 HydrophobicContact CE1-CD2 4.08Å; F722-Y727 AromaticContact CE1-CE2 3.46Å; F722-Y727 HydrophobicContact CE1-CE2 3.46Å; F722-Y727 VanDerWaalsContact CE1-CE2 3.46Å; F722-Y727 AromaticContact CE1-CZ 3.88Å; F722-Y727 AromaticContact CZ-CE2 3.96Å; F722-Y727 HydrophobicContact CZ-CE2 3.96Å; Y727-E729 HydrophobicContact CE1-CB 4.26Å; Y727-E729 HydrophobicContact CE1-CG 4.06Å; Y727-E729 WeakPolarHBondContact CE1-OE2 3.48Å; Y727-E729 PolarHBondContact OH-OE2 3.14Å; Y727-V745 CarbonylContact O-C 3.48Å; Y727-V745 WeakPolarHBondContact O-CA 3.38Å; Y727-V746 HydrophobicContact CD1-CB 4.28Å; Y727-V746 HydrophobicContact CD1-CG2 4Å; Y727-V746 PolarHBondContact N-O 3.31Å; Y727-V746 PolarHBondContact O-N 3.24Å
728A91.1Very high84.1Confident0 Ų052.7 Ų52.70%027%0.272CS..EExtended strand (participates in β ladder)trans-138136.1178.300000112.1L719 T720 V743 L744 I803 L819L719-A728 HydrophobicContact CB-CB 4.22Å; L719-A728 WeakPolarHBondContact CB-O 3.23Å; L719-A728 PolarHBondContact N-O 3.27Å; T720-A728 HydrophobicContact CG2-CB 4.18Å; T720-A728 PolarHBondContact N-O 3.41Å; T720-A728 PolarHBondContact OG1-N 2.95Å; A728-V743 HydrophobicContact CB-CG1 4.41Å; A728-L744 WeakPolarHBondContact CA-O 3.47Å; A728-I803 HydrophobicContact CB-CD1 3.72Å; A728-L819 HydrophobicContact CB-CD2 4.21Å
729E91.2Very high83.8Confident57 Ų5748.5 Ų48.527%0.26625%0.252SS..EExtended strand (participates in β ladder)trans-134.2140.2172.361.5-175.1-156.400109.9V716 Y727 V743 L744V716-E729 HydrophobicContact CG1-CB 3.99Å; V716-E729 HydrophobicContact CG1-CG 4.33Å; Y727-E729 HydrophobicContact CE1-CB 4.26Å; Y727-E729 HydrophobicContact CE1-CG 4.06Å; Y727-E729 WeakPolarHBondContact CE1-OE2 3.48Å; Y727-E729 PolarHBondContact OH-OE2 3.14Å; E729-V743 CarbonylContact O-C 3.58Å; E729-V743 WeakPolarHBondContact O-CA 3.18Å; E729-L744 HydrophobicContact CG-CB 3.84Å; E729-L744 HydrophobicContact CG-CD2 3.96Å; E729-L744 HydrophobicContact CG-CG 4.36Å; E729-L744 PolarHBondContact N-O 3Å; E729-L744 PolarHBondContact O-N 3.1Å; E729-L744 VanDerWaalsContact OE1-CD2 3.29Å; E729-L744 WeakPolarHBondContact OE1-CD2 3.4Å
730A88.9Confident83.7Confident0 Ų049.8 Ų49.80%026%0.261CS..EExtended strand (participates in β ladder)trans-117135.1-177.400000111.7V716 T717 L719 D742 V743 I822V716-A730 WeakPolarHBondContact CA-O 3.5Å; T717-A730 PolarHBondContact N-O 2.73Å; T717-A730 PolarHBondContact O-N 3.42Å; L719-A730 HydrophobicContact CD1-CB 3.63Å; L719-A730 HydrophobicContact CD2-CB 4.26Å; L719-A730 HydrophobicContact CG-CB 4Å; A730-D742 CarbonylContact C-O 3.44Å; A730-D742 WeakPolarHBondContact CA-O 3.15Å; A730-V743 HydrophobicContact CB-CG2 3.96Å; A730-I822 HydrophobicContact CB-CD1 3.9Å
731Y85.8Confident83.5Confident72 Ų7249.5 Ų49.528%0.28226%0.259SS..EExtended strand (participates in β ladder)trans-103.9119.1169.5-173.9-107.8000109.6K712 K715 V716 D742K712-Y731 VanDerWaalsContact O-CE2 3.3Å; K712-Y731 WeakPolarHBondContact O-CE2 3.13Å; K715-Y731 HydrophobicContact CB-CD2 4.33Å; K715-Y731 HydrophobicContact CB-CE2 3.92Å; V716-Y731 HydrophobicContact CG2-CD2 3.96Å; Y731-D742 PolarHBondContact N-O 3.38Å; Y731-D742 PolarHBondContact O-N 2.73Å
732V83.4Confident83.7Confident21 Ų2150 Ų5013%0.12725%0.254CS..EExtended strand (participates in β ladder)trans-97.9117.3-176.2-170.80000110.2V734 I739 L741 I822V732-V734 HydrophobicContact CG1-CG2 4.23Å; V732-I739 HydrophobicContact CG1-CG2 3.72Å; V732-L741 HydrophobicContact CB-CD2 4.11Å; V732-L741 HydrophobicContact CG1-CD2 3.88Å; V732-L741 HydrophobicContact CG2-CD2 3.63Å; V732-I822 HydrophobicContact CG2-CG2 3.81Å
733H80.1Confident84.1Confident57 Ų5743.5 Ų43.526%0.26423%0.226SC..EExtended strand (participates in β ladder)trans-108.8114.5173.6-162-82.5000110.4N735 I739 V740H733-N735 PolarHBondContact CE1-OD1 3.33Å; H733-N735 PolarHBondContact ND1-OD1 3.34Å; H733-N735 VanDerWaalsContact ND1-OD1 3.08Å; H733-I739 CarbonylContact O-C 3.51Å; H733-I739 WeakPolarHBondContact O-CA 3.28Å; H733-V740 HydrophobicContact CB-CB 4.2Å; H733-V740 PolarHBondContact N-O 3.25Å; H733-V740 PolarHBondContact O-N 3.01Å
734V72.7Confident84.4Confident42 Ų4239.6 Ų39.626%0.25520%0.195SC..EExtended strand (participates in β ladder)trans-97.2105.9178.6-1780000109.1V732 I739 Y829V732-V734 HydrophobicContact CG1-CG2 4.23Å; V734-I739 HydrophobicContact CG2-CG1 4.44Å; V734-Y829 HydrophobicContact CG1-CD1 4.33Å; V734-Y829 HydrophobicContact CG1-CE1 3.37Å; V734-Y829 WeakPolarHBondContact CG1-OH 3.36Å
735N73Confident84.6Confident41 Ų4136.9 Ų36.922%0.21918%0.181CC..EExtended strand (participates in β ladder)trans-99.5143.3165-71.8-25.6000108.3H733 Y737 D738H733-N735 PolarHBondContact CE1-OD1 3.33Å; H733-N735 PolarHBondContact ND1-OD1 3.34Å; H733-N735 VanDerWaalsContact ND1-OD1 3.08Å; N735-Y737 CarbonylContact O-C 3.59Å; N735-Y737 PolarHBondContact O-N 3.37Å; N735-D738 CarbonylContact C-O 3.59Å; N735-D738 WeakPolarHBondContact CA-O 3.27Å; N735-D738 WeakPolarHBondContact CB-O 3.19Å; N735-D738 PolarHBondContact N-O 3.43Å; N735-D738 CarbonylContact O-C 3.6Å; N735-D738 PolarHBondContact O-N 2.94Å
736Q70.6Confident84.9Confident102 Ų10236.1 Ų36.148%0.47718%0.175SC..THydrogen-bonded Turntrans-21.5-55.7-171.6-64174.9-3.300116.5I900 F901Q736-I900 HydrophobicContact CB-CD1 4.04Å; Q736-I900 HydrophobicContact CG-CD1 4.28Å; Q736-I900 WeakPolarHBondContact O-CD1 3.39Å; Q736-F901 WeakPolarHBondContact O-CZ 3.41Å
737Y73.7Confident85Confident126 Ų12636.2 Ų36.249%0.49418%0.176SC..THydrogen-bonded Turntrans-111.9-10.5-179.7-56.3-84.3000114.9N735 V791 F901N735-Y737 CarbonylContact O-C 3.59Å; N735-Y737 PolarHBondContact O-N 3.37Å; Y737-V791 PolarHBondContact O-N 3.29Å; Y737-F901 AromaticContact CD1-CD1 3.92Å; Y737-F901 HydrophobicContact CD1-CD1 3.92Å; Y737-F901 AromaticContact CD1-CE1 3.46Å; Y737-F901 HydrophobicContact CD1-CE1 3.46Å; Y737-F901 VanDerWaalsContact CD1-CE1 3.46Å; Y737-F901 AromaticContact CE1-CD1 3.54Å; Y737-F901 HydrophobicContact CE1-CD1 3.54Å; Y737-F901 AromaticContact CE1-CE1 3.59Å; Y737-F901 HydrophobicContact CE1-CE1 3.59Å; Y737-F901 HydrophobicContact CG-CE1 4.4Å
738D79.9Confident84.7Confident64 Ų6438.2 Ų38.234%0.34219%0.186SC..EExtended strand (participates in β ladder)trans-127.9122.8-172.1-66.8-43.5000110.8N735 K790N735-D738 CarbonylContact C-O 3.59Å; N735-D738 WeakPolarHBondContact CA-O 3.27Å; N735-D738 WeakPolarHBondContact CB-O 3.19Å; N735-D738 PolarHBondContact N-O 3.43Å; N735-D738 CarbonylContact O-C 3.6Å; N735-D738 PolarHBondContact O-N 2.94Å; D738-K790 WeakPolarHBondContact OD1-CE 3.37Å; D738-K790 WeakPolarHBondContact OD1-CG 3.4Å
739I83.1Confident84.5Confident0 Ų039.9 Ų39.90%020%0.196CC..EExtended strand (participates in β ladder)trans-96.4120170.1-55.8174.9000107.9V732 H733 V734 L741 L766 V789 V791 I824 Y829V732-I739 HydrophobicContact CG1-CG2 3.72Å; H733-I739 CarbonylContact O-C 3.51Å; H733-I739 WeakPolarHBondContact O-CA 3.28Å; V734-I739 HydrophobicContact CG2-CG1 4.44Å; I739-L741 HydrophobicContact CG2-CD2 4.32Å; I739-L741 HydrophobicContact CG2-CG 4.46Å; I739-L766 HydrophobicContact CD1-CD2 4.13Å; I739-V789 HydrophobicContact CB-CB 4.28Å; I739-V789 PolarHBondContact N-O 2.87Å; I739-V789 PolarHBondContact O-N 2.94Å; I739-V791 HydrophobicContact CD1-CG2 3.58Å; I739-V791 HydrophobicContact CG1-CG2 3.59Å; I739-I824 HydrophobicContact CD1-CD1 3.29Å; I739-I824 HydrophobicContact CD1-CG1 4.04Å; I739-I824 HydrophobicContact CD1-CG2 3.96Å; I739-I824 HydrophobicContact CG2-CD1 4.5Å; I739-Y829 WeakPolarHBondContact CD1-OH 3.38Å
740V86.3Confident84.4Confident35 Ų3541.5 Ų41.521%0.21221%0.214CC..EExtended strand (participates in β ladder)trans-101116.2173.7-172.50000107.9H733 N788H733-V740 HydrophobicContact CB-CB 4.2Å; H733-V740 PolarHBondContact N-O 3.25Å; H733-V740 PolarHBondContact O-N 3.01Å; V740-N788 WeakPolarHBondContact CG2-OD1 3.26Å
741L87.2Confident84.3Confident0 Ų046 Ų460%024%0.238CC..EExtended strand (participates in β ladder)trans-95.2118.1171.4-64.3174.4000108.6V732 I739 V743 L760 K786 A787 V789 I799 I822V732-L741 HydrophobicContact CB-CD2 4.11Å; V732-L741 HydrophobicContact CG1-CD2 3.88Å; V732-L741 HydrophobicContact CG2-CD2 3.63Å; I739-L741 HydrophobicContact CG2-CD2 4.32Å; I739-L741 HydrophobicContact CG2-CG 4.46Å; L741-V743 HydrophobicContact CB-CG2 4.42Å; L741-L760 HydrophobicContact CD1-CD1 3.87Å; L741-K786 CarbonylContact O-C 3.54Å; L741-K786 WeakPolarHBondContact O-CA 2.72Å; L741-A787 HydrophobicContact CB-CB 4.34Å; L741-A787 PolarHBondContact N-O 3.35Å; L741-A787 PolarHBondContact O-N 3.24Å; L741-V789 HydrophobicContact CD1-CG2 4.28Å; L741-I799 HydrophobicContact CD1-CD1 3.69Å; L741-I799 HydrophobicContact CD1-CG2 4.03Å; L741-I799 HydrophobicContact CG-CD1 4.42Å; L741-I822 HydrophobicContact CD1-CD1 4.41Å; L741-I822 HydrophobicContact CD2-CD1 4.12Å
742D89Confident84.3Confident42 Ų4245 Ų4523%0.22524%0.24CC..EExtended strand (participates in β ladder)trans-103.3105.1170.8-156-8.1000108.2A730 Y731 K786A730-D742 CarbonylContact C-O 3.44Å; A730-D742 WeakPolarHBondContact CA-O 3.15Å; Y731-D742 PolarHBondContact N-O 3.38Å; Y731-D742 PolarHBondContact O-N 2.73Å; D742-K786 VanDerWaalsContact OD2-CE 3.22Å; D742-K786 WeakPolarHBondContact OD2-CE 3.35Å; D742-K786 IonicContact OD2-NZ 3.31Å
743V90.2Very high84.5Confident1 Ų144.1 Ų44.11%0.00623%0.234CC..EExtended strand (participates in β ladder)trans-103.3111.6-175.3-173.30000109.2L719 A728 E729 A730 L741 V745 L758 I785L719-V743 HydrophobicContact CD1-CG1 3.98Å; A728-V743 HydrophobicContact CB-CG1 4.41Å; E729-V743 CarbonylContact O-C 3.58Å; E729-V743 WeakPolarHBondContact O-CA 3.18Å; A730-V743 HydrophobicContact CB-CG2 3.96Å; L741-V743 HydrophobicContact CB-CG2 4.42Å; V743-V745 HydrophobicContact CG1-CG2 4.01Å; V743-L758 HydrophobicContact CB-CD2 3.96Å; V743-L758 HydrophobicContact CG1-CD2 4.21Å; V743-L758 HydrophobicContact CG2-CD2 3.75Å; V743-I785 HydrophobicContact CB-CB 4.47Å; V743-I785 PolarHBondContact N-O 3.08Å; V743-I785 PolarHBondContact O-N 3.27Å
744L90.9Very high84.8Confident37 Ų3745.2 Ų45.219%0.19424%0.239CC..EExtended strand (participates in β ladder)trans-78.5126.1168.517570.1000108.2A728 E729 V746 F782 N784A728-L744 WeakPolarHBondContact CA-O 3.47Å; E729-L744 HydrophobicContact CG-CB 3.84Å; E729-L744 HydrophobicContact CG-CD2 3.96Å; E729-L744 HydrophobicContact CG-CG 4.36Å; E729-L744 PolarHBondContact N-O 3Å; E729-L744 PolarHBondContact O-N 3.1Å; E729-L744 VanDerWaalsContact OE1-CD2 3.29Å; E729-L744 WeakPolarHBondContact OE1-CD2 3.4Å; L744-V746 HydrophobicContact CD1-CG2 4.36Å; L744-V746 HydrophobicContact CD2-CG2 4.17Å; L744-V746 HydrophobicContact CG-CG2 4Å; L744-F782 HydrophobicContact CD1-CB 4.08Å; L744-F782 HydrophobicContact CD1-CD2 3.8Å; L744-F782 HydrophobicContact CD1-CG 4.33Å; L744-N784 WeakPolarHBondContact CA-OD1 3.42Å; L744-N784 WeakPolarHBondContact CB-OD1 3.4Å; L744-N784 WeakPolarHBondContact CD1-OD1 3.33Å
745V91.8Very high85.3Confident0 Ų047.3 Ų47.30%025%0.249CC..EExtended strand (participates in β ladder)trans-119.1128176.1-175.30000108.6V726 Y727 V743 L777 F782 A783 I785 I803V726-V745 HydrophobicContact CG1-CG1 3.3Å; Y727-V745 CarbonylContact O-C 3.48Å; Y727-V745 WeakPolarHBondContact O-CA 3.38Å; V743-V745 HydrophobicContact CG1-CG2 4.01Å; V745-L777 HydrophobicContact CG1-CD1 3.85Å; V745-F782 CarbonylContact O-C 3.52Å; V745-F782 VanDerWaalsContact O-CA 3.25Å; V745-F782 WeakPolarHBondContact O-CA 3.31Å; V745-A783 PolarHBondContact N-O 3.31Å; V745-A783 PolarHBondContact O-N 3.45Å; V745-I785 HydrophobicContact CG2-CD1 3.75Å; V745-I785 HydrophobicContact CG2-CG1 4.3Å; V745-I803 HydrophobicContact CG1-CD1 4.08Å; V745-I803 HydrophobicContact CG2-CD1 4.05Å
746V92.1Very high86Confident35 Ų3545.4 Ų45.421%0.21224%0.239CC..EExtended strand (participates in β ladder)trans-124.7125.4-176.7-173.30000109.2V726 Y727 L744 Q748 F782V726-V746 WeakPolarHBondContact CA-O 3.41Å; Y727-V746 HydrophobicContact CD1-CB 4.28Å; Y727-V746 HydrophobicContact CD1-CG2 4Å; Y727-V746 PolarHBondContact N-O 3.31Å; Y727-V746 PolarHBondContact O-N 3.24Å; L744-V746 HydrophobicContact CD1-CG2 4.36Å; L744-V746 HydrophobicContact CD2-CG2 4.17Å; L744-V746 HydrophobicContact CG-CG2 4Å; V746-Q748 PolarHBondContact O-N 3.02Å; V746-F782 HydrophobicContact CB-CB 4.34Å; V746-F782 HydrophobicContact CG1-CB 4.32Å; V746-F782 HydrophobicContact CG2-CB 3.85Å
747N91.3Very high86.9Confident1 Ų141.8 Ų41.81%0.00522%0.224CC..EExtended strand (participates in β ladder)trans-77.5115.3171.9178.612.1000109.4T749 D751 L753 L777 A778 P779 H780 D781N747-T749 WeakPolarHBondContact OD1-CB 3.41Å; N747-T749 PolarHBondContact OD1-N 3.41Å; N747-T749 PolarHBondContact OD1-OG1 3.23Å; N747-D751 PolarHBondContact ND2-O 3.42Å; N747-L753 HydrophobicContact CB-CD1 3.99Å; N747-L753 HydrophobicContact CB-CG 4.42Å; N747-L753 WeakPolarHBondContact OD1-CD1 3.32Å; N747-L777 HydrophobicContact CB-CB 3.9Å; N747-L777 HydrophobicContact CB-CD1 4.18Å; N747-A778 PolarHBondContact ND2-O 2.77Å; N747-P779 WeakPolarHBondContact ND2-CA 3.28Å; N747-H780 WeakPolarHBondContact O-CA 2.88Å; N747-H780 PolarHBondContact O-N 3.02Å; N747-D781 PolarHBondContact N-O 3.14Å
748Q87.1Confident87.6Confident69 Ų6936 Ų3632%0.32220%0.201SC..  trans-89.7-8.9176.6-62.3-163.9-12.700113.1F722 D724 P725 V746 H780F722-Q748 PolarHBondContact O-OE1 2.95Å; D724-Q748 PolarHBondContact O-OE1 2.92Å; P725-Q748 PolarHBondContact O-N 3.22Å; V746-Q748 PolarHBondContact O-N 3.02Å; Q748-H780 PolarHBondContact O-CE1 2.82Å
749T87Confident88.1Confident35 Ų3538 Ų3822%0.21521%0.209CC..SBendtrans-86.2162.1-177.673.10000112.4P725 N747 D751 P779 H780P725-T749 HydrophobicContact CB-CG2 3.74Å; N747-T749 WeakPolarHBondContact OD1-CB 3.41Å; N747-T749 PolarHBondContact OD1-N 3.41Å; N747-T749 PolarHBondContact OD1-OG1 3.23Å; T749-D751 VanDerWaalsContact C-N 3.25Å; T749-D751 PolarHBondContact OG1-N 3.31Å; T749-D751 PolarHBondContact OG1-O 3.08Å; T749-P779 WeakPolarHBondContact O-CA 3.3Å; T749-H780 PolarHBondContact O-N 2.71Å
750S87.9Confident88.4Confident92 Ų9239 Ų3964%0.64321%0.214SC*.SBendtrans-83.8-0.2173.3-550000113.4P779S750-P779 WeakPolarHBondContact O-CB 3.47Å; S750-P779 WeakPolarHBondContact O-CG 2.98Å
751D86.9Confident88.4Confident94 Ų9439.2 Ų39.250%0.50322%0.22SC..SBendtrans-102.1152.9-179.2-62.1-42.8000110.9N747 T749 L753 V807N747-D751 PolarHBondContact ND2-O 3.42Å; T749-D751 VanDerWaalsContact C-N 3.25Å; T749-D751 PolarHBondContact OG1-N 3.31Å; T749-D751 PolarHBondContact OG1-O 3.08Å; D751-L753 PolarHBondContact O-N 3.26Å; D751-V807 HydrophobicContact CB-CG1 3.93Å
752T86.8Confident88.5Confident52 Ų5241.1 Ų41.132%0.31923%0.231SC..PPolyproline II helixtrans-78.3120.7174.4-54.70000109.7T776 L777 S808T752-T776 HydrophobicContact CG2-CG2 3.79Å; T752-L777 WeakPolarHBondContact CA-O 3.48Å; T752-L777 WeakPolarHBondContact CG2-O 3.21Å; T752-S808 PolarHBondContact O-N 2.89Å
753L87.2Confident88.2Confident1 Ų144 Ų441%0.00525%0.246CC..EExtended strand (participates in β ladder)trans-88.4116.6176-50.3-175.7000109.3V726 N747 D751 T776 L777 Y805 V807V726-L753 HydrophobicContact CG2-CD1 3.44Å; V726-L753 VanDerWaalsContact CG2-CD1 3.44Å; N747-L753 HydrophobicContact CB-CD1 3.99Å; N747-L753 HydrophobicContact CB-CG 4.42Å; N747-L753 WeakPolarHBondContact OD1-CD1 3.32Å; D751-L753 PolarHBondContact O-N 3.26Å; L753-T776 CarbonylContact O-C 3.59Å; L753-T776 VanDerWaalsContact O-CA 3.3Å; L753-T776 WeakPolarHBondContact O-CA 3.44Å; L753-T776 WeakPolarHBondContact O-CG2 3.37Å; L753-L777 HydrophobicContact CB-CB 4.41Å; L753-L777 PolarHBondContact N-O 2.96Å; L753-L777 PolarHBondContact O-N 2.72Å; L753-Y805 HydrophobicContact CB-CD2 4.27Å; L753-Y805 HydrophobicContact CD1-CD2 4.11Å; L753-Y805 HydrophobicContact CD1-CE2 4.38Å; L753-Y805 HydrophobicContact CD1-CG 4.33Å; L753-Y805 HydrophobicContact CD2-CD2 3.6Å; L753-Y805 HydrophobicContact CD2-CE2 3.68Å; L753-Y805 HydrophobicContact CG-CD2 4.19Å; L753-V807 HydrophobicContact CD2-CG2 4.2Å
754Q85Confident87.5Confident81 Ų8145.7 Ų45.738%0.37926%0.264SS..EExtended strand (participates in β ladder)trans-98152.5176.9-63.7-176.4-16.600110.1C756 T776 D806Q754-C756 PolarHBondContact O-N 3.37Å; Q754-C756 VanDerWaalsContact O-N 3.08Å; Q754-T776 HydrophobicContact CG-CG2 4.15Å; Q754-D806 HydrophobicContact CB-CB 4.49Å; Q754-D806 PolarHBondContact N-O 3.38Å; Q754-D806 PolarHBondContact O-N 3.25Å
755N84.8Confident86.8Confident85 Ų8547.7 Ų47.746%0.45528%0.275SS..EExtended strand (participates in β ladder)trans52.929.4178.7-58.2-30.5000115.1T757 V804 D806N755-T757 PolarHBondContact O-N 3.44Å; N755-T757 PolarHBondContact O-OG1 3.03Å; N755-V804 VanDerWaalsContact O-O 3.12Å; N755-D806 PolarHBondContact ND2-OD2 2.66Å
756C87.3Confident86.3Confident1 Ų148.2 Ų48.21%0.00728%0.277CS..EExtended strand (participates in β ladder)trans-60.7108.2176.3-175.40000109Q754 L775 I803 V804Q754-C756 PolarHBondContact O-N 3.37Å; Q754-C756 VanDerWaalsContact O-N 3.08Å; C756-L775 WeakPolarHBondContact CA-O 3.44Å; C756-L775 HydrophobicContact CB-CD1 3.8Å; C756-L775 HydrophobicContact CB-CG 4.3Å; C756-L775 VanDerWaalsContact CB-O 3.28Å; C756-L775 WeakPolarHBondContact CB-O 3.5Å; C756-L775 PolarHBondContact N-O 2.69Å; C756-L775 WeakPolarHBondContact O-CG 3.42Å; C756-L775 PolarHBondContact O-N 3.16Å; C756-I803 WeakPolarHBondContact SG-CG2 3.33Å; C756-V804 CarbonylContact C-O 3.57Å; C756-V804 VanDerWaalsContact CA-O 3.28Å; C756-V804 WeakPolarHBondContact CA-O 3.33Å
757T88.4Confident85.9Confident27 Ų2753.3 Ų53.317%0.16630%0.297CS..EExtended strand (participates in β ladder)trans-123.9126.3-172.5-52.10000109N755 E759 P774 I803 V804N755-T757 PolarHBondContact O-N 3.44Å; N755-T757 PolarHBondContact O-OG1 3.03Å; T757-E759 HydrophobicContact CG2-CG 4.37Å; T757-P774 HydrophobicContact CG2-CG 4.36Å; T757-P774 VanDerWaalsContact OG1-CB 3.3Å; T757-P774 WeakPolarHBondContact OG1-CB 2.98Å; T757-P774 WeakPolarHBondContact OG1-CG 3.33Å; T757-I803 WeakPolarHBondContact O-CA 3.4Å; T757-V804 PolarHBondContact N-O 3.34Å; T757-V804 PolarHBondContact O-N 3.17Å
758L89.9Confident85.5Confident3 Ų355.4 Ų55.42%0.01631%0.307CS..EExtended strand (participates in β ladder)trans-85.3106.9171.9176.666000108.9V743 L760 P772 I785 I803 L819V743-L758 HydrophobicContact CB-CD2 3.96Å; V743-L758 HydrophobicContact CG1-CD2 4.21Å; V743-L758 HydrophobicContact CG2-CD2 3.75Å; L758-L760 HydrophobicContact CD1-CD2 3.88Å; L758-L760 HydrophobicContact CD1-CG 4.36Å; L758-L760 HydrophobicContact CD2-CD1 4.14Å; L758-L760 HydrophobicContact CD2-CD2 4.29Å; L758-L760 HydrophobicContact CD2-CG 4.17Å; L758-L760 HydrophobicContact CG-CD1 4.47Å; L758-L760 HydrophobicContact CG-CD2 4.04Å; L758-L760 HydrophobicContact CG-CG 3.97Å; L758-P772 HydrophobicContact CB-CB 4.24Å; L758-P772 HydrophobicContact CB-CG 4.24Å; L758-P772 HydrophobicContact CD2-CG 4.22Å; L758-P772 HydrophobicContact CG-CG 4.4Å; L758-I785 HydrophobicContact CB-CD1 3.86Å; L758-I785 HydrophobicContact CB-CG2 4.48Å; L758-I785 HydrophobicContact CD2-CB 4.38Å; L758-I785 HydrophobicContact CD2-CD1 4.46Å; L758-I785 HydrophobicContact CD2-CG2 3.97Å; L758-I803 HydrophobicContact CD1-CG1 3.89Å; L758-L819 HydrophobicContact CD1-CD1 3.34Å
759E89.2Confident85.2Confident108 Ų10856.2 Ų56.251%0.50532%0.317SS..EExtended strand (participates in β ladder)trans-95.5113.8172.5-49.6-169.4152.700109.2T757 G801 N802T757-E759 HydrophobicContact CG2-CG 4.37Å; E759-G801 CarbonylContact O-C 3Å; E759-G801 WeakPolarHBondContact O-CA 3.11Å; E759-N802 WeakPolarHBondContact CB-OD1 3.49Å; E759-N802 PolarHBondContact N-O 3.01Å; E759-N802 PolarHBondContact O-N 2.87Å
760L89.1Confident84.8Confident20 Ų2060 Ų6011%0.10533%0.332CS..EExtended strand (participates in β ladder)trans-104.5139174.1-60.9176.5000109.9L741 L758 L768 A787 I799L741-L760 HydrophobicContact CD1-CD1 3.87Å; L758-L760 HydrophobicContact CD1-CD2 3.88Å; L758-L760 HydrophobicContact CD1-CG 4.36Å; L758-L760 HydrophobicContact CD2-CD1 4.14Å; L758-L760 HydrophobicContact CD2-CD2 4.29Å; L758-L760 HydrophobicContact CD2-CG 4.17Å; L758-L760 HydrophobicContact CG-CD1 4.47Å; L758-L760 HydrophobicContact CG-CD2 4.04Å; L758-L760 HydrophobicContact CG-CG 3.97Å; L760-L768 HydrophobicContact CB-CD2 4.22Å; L760-A787 HydrophobicContact CD1-CB 3.61Å; L760-I799 HydrophobicContact CB-CG2 4.34Å; L760-I799 HydrophobicContact CD1-CG2 4.47Å; L760-I799 HydrophobicContact CD2-CG2 4.19Å
761A87.9Confident84.2Confident40 Ų4064 Ų6433%0.33134%0.338SS..EExtended strand (participates in β ladder)trans-124.3148.8167.300000108.7F800A761-F800 HydrophobicContact CB-CD2 4.1Å; A761-F800 HydrophobicContact CB-CE1 4.1Å; A761-F800 HydrophobicContact CB-CE2 3.56Å; A761-F800 HydrophobicContact CB-CZ 3.56Å; A761-F800 PolarHBondContact N-O 3.33Å; A761-F800 PolarHBondContact O-N 2.93Å
762T87.8Confident83.9Confident39 Ų3960.2 Ų60.224%0.23932%0.319CS..EExtended strand (participates in β ladder)trans-118.5139.6-177.955.50000109.5L766 V789 I798 I799T762-L766 HydrophobicContact CG2-CB 4.09Å; T762-L766 PolarHBondContact OG1-O 3.31Å; T762-V789 HydrophobicContact CG2-CG1 4.11Å; T762-I798 WeakPolarHBondContact CA-O 3.38Å; T762-I799 HydrophobicContact CG2-CG1 4.11Å; T762-I799 HydrophobicContact CG2-CG2 4.38Å
763L83.1Confident83.6Confident102 Ų10262.1 Ų62.153%0.53433%0.334SS..EExtended strand (participates in β ladder)trans-112.9131.9170.2-172.8144.6000108.6I798 F800L763-I798 HydrophobicContact CB-CB 4.37Å; L763-I798 PolarHBondContact N-O 2.97Å; L763-I798 PolarHBondContact O-N 2.88Å; L763-I798 VanDerWaalsContact O-N 3.12Å; L763-F800 HydrophobicContact CB-CE1 3.94Å
764G75.6Confident83.5Confident37 Ų3765.7 Ų65.738%0.38136%0.357SS..SBendtrans98.3-169.7-168.800000112.9L766 E795G764-L766 PolarHBondContact O-N 2.98Å; G764-E795 VanDerWaalsContact C-OE1 3.28Å; G764-E795 WeakPolarHBondContact CA-OE1 3.49Å
765D75.9Confident83.5Confident80 Ų8063.4 Ų63.443%0.42835%0.347SS..SBendtrans-78.234.8-178.6-82.4-22000112.5A792 S793 E795D765-A792 HydrophobicContact CB-CB 4.34Å; D765-A792 VanDerWaalsContact O-CB 3.3Å; D765-A792 WeakPolarHBondContact O-CB 3.29Å; D765-A792 PolarHBondContact O-N 2.96Å; D765-S793 WeakPolarHBondContact OD2-CB 3.3Å; D765-E795 HydrophobicContact CB-CG 4.24Å; D765-E795 WeakPolarHBondContact CB-OE1 2.94Å; D765-E795 PolarHBondContact N-OE1 3.01Å
766L82.3Confident83.7Confident11 Ų1163.6 Ų63.66%0.05835%0.352CS..EExtended strand (participates in β ladder)trans-99.1127.6171.5-66.6-176.3000109.2I739 T762 G764 V789 K790 V791 I799 I824I739-L766 HydrophobicContact CD1-CD2 4.13Å; T762-L766 HydrophobicContact CG2-CB 4.09Å; T762-L766 PolarHBondContact OG1-O 3.31Å; G764-L766 PolarHBondContact O-N 2.98Å; L766-V789 HydrophobicContact CB-CG1 3.81Å; L766-V789 HydrophobicContact CD1-CG1 4.38Å; L766-V789 HydrophobicContact CD2-CG1 4.31Å; L766-V789 HydrophobicContact CG-CG1 4.4Å; L766-K790 WeakPolarHBondContact CA-O 3.43Å; L766-V791 HydrophobicContact CD2-CB 4.27Å; L766-V791 HydrophobicContact CD2-CG1 4.22Å; L766-V791 HydrophobicContact CD2-CG2 3.89Å; L766-I799 HydrophobicContact CD1-CD1 4.21Å; L766-I799 HydrophobicContact CD1-CG1 3.93Å; L766-I824 HydrophobicContact CD1-CD1 3.5Å; L766-I824 VanDerWaalsContact CD1-CD1 3.5Å
767K83.1Confident83.7Confident142 Ų14263.6 Ų63.662%0.61735%0.352SS*.EExtended strand (participates in β ladder)trans-111.7113.5177.7-69.7-177.9-179.2174.30110.3V769 K790K767-V769 PolarHBondContact O-N 3.36Å; K767-K790 PolarHBondContact N-O 3.45Å; K767-K790 PolarHBondContact O-N 2.97Å
768L83.4Confident83.7Confident44 Ų4464.3 Ų64.323%0.2336%0.36CS..EExtended strand (participates in β ladder)trans-64.7117.9168.9-174.369.4000109.1L760 K771 A787 V789L760-L768 HydrophobicContact CB-CD2 4.22Å; L768-K771 HydrophobicContact CD2-CG 4.15Å; L768-A787 HydrophobicContact CD1-CB 4.44Å; L768-V789 HydrophobicContact CD1-CG2 3.72Å
769V81Confident83.6Confident86 Ų8666.7 Ų66.752%0.52138%0.376SS..  trans-86.1-36.3-175.6-176.70000111K767 N788 K790K767-V769 PolarHBondContact O-N 3.36Å; V769-N788 PolarHBondContact N-O 3.3Å; V769-K790 HydrophobicContact CG2-CB 3.8Å; V769-K790 HydrophobicContact CG2-CD 3.59Å; V769-K790 HydrophobicContact CG2-CG 3.52Å
770E77.6Confident83.5Confident115 Ų11567.3 Ų67.354%0.53738%0.378SS..  trans-134.8127.9-173.2-170.2170.7-169.100110
771K76.5Confident83.6Confident177 Ų17769.7 Ų69.777%0.7739%0.391SS*.PPolyproline II helixtrans-85.5127.1172.9-71.8-170.3176.3-169.50109L768L768-K771 HydrophobicContact CD2-CG 4.15Å
772P79.1Confident83.7Confident14 Ų1474.1 Ų74.19%0.09140%0.403CS..PPolyproline II helixtrans-53.5137.8174.5-30.237.9000113.3L758 I785 A787L758-P772 HydrophobicContact CB-CB 4.24Å; L758-P772 HydrophobicContact CB-CG 4.24Å; L758-P772 HydrophobicContact CD2-CG 4.22Å; L758-P772 HydrophobicContact CG-CG 4.4Å; P772-I785 HydrophobicContact CB-CG2 3.48Å; P772-I785 VanDerWaalsContact CB-CG2 3.48Å; P772-I785 HydrophobicContact CG-CG2 3.75Å; P772-A787 HydrophobicContact CG-CB 4.15Å
773S81.1Confident83.8Confident91 Ų9173.4 Ų73.464%0.63640%0.402SS*.PPolyproline II helixtrans-73.3143.8174.555.30000111.4
774P84.9Confident84.1Confident76 Ų7673.5 Ų73.549%0.49440%0.403SS..PPolyproline II helixtrans-57.4140.6172.1-21.231.4000111.6T757T757-P774 HydrophobicContact CG2-CG 4.36Å; T757-P774 VanDerWaalsContact OG1-CB 3.3Å; T757-P774 WeakPolarHBondContact OG1-CB 2.98Å; T757-P774 WeakPolarHBondContact OG1-CG 3.33Å
775L86.5Confident84.7Confident33 Ų3372.3 Ų72.317%0.17339%0.387CS..EExtended strand (participates in β ladder)trans-127.3157.5178.261.683.8000111.6C756 L777 A783 I785C756-L775 WeakPolarHBondContact CA-O 3.44Å; C756-L775 HydrophobicContact CB-CD1 3.8Å; C756-L775 HydrophobicContact CB-CG 4.3Å; C756-L775 VanDerWaalsContact CB-O 3.28Å; C756-L775 WeakPolarHBondContact CB-O 3.5Å; C756-L775 PolarHBondContact N-O 2.69Å; C756-L775 WeakPolarHBondContact O-CG 3.42Å; C756-L775 PolarHBondContact O-N 3.16Å; L775-L777 HydrophobicContact CD1-CD1 3.85Å; L775-L777 HydrophobicContact CD1-CD2 3.46Å; L775-L777 VanDerWaalsContact CD1-CD2 3.46Å; L775-L777 HydrophobicContact CD1-CG 3.32Å; L775-A783 HydrophobicContact CD1-CB 4.28Å; L775-A783 HydrophobicContact CD2-CB 3.91Å; L775-I785 HydrophobicContact CD2-CD1 3.51Å; L775-I785 HydrophobicContact CD2-CG1 3.48Å; L775-I785 VanDerWaalsContact CD2-CG1 3.48Å; L775-I785 HydrophobicContact CG-CD1 4.5Å
776T88.4Confident85.2Confident89 Ų8974.9 Ų74.955%0.54640%0.395SS..EExtended strand (participates in β ladder)trans-109.8123.1174.8-60.50000108.6T752 L753 Q754T752-T776 HydrophobicContact CG2-CG2 3.79Å; L753-T776 CarbonylContact O-C 3.59Å; L753-T776 VanDerWaalsContact O-CA 3.3Å; L753-T776 WeakPolarHBondContact O-CA 3.44Å; L753-T776 WeakPolarHBondContact O-CG2 3.37Å; Q754-T776 HydrophobicContact CG-CG2 4.15Å
777L86.9Confident85.4Confident2 Ų274.3 Ų74.31%0.0139%0.392CS..EExtended strand (participates in β ladder)trans-104.9124.4178.4-64.7172.7000109.9V745 N747 T752 L753 L775 A783V745-L777 HydrophobicContact CG1-CD1 3.85Å; N747-L777 HydrophobicContact CB-CB 3.9Å; N747-L777 HydrophobicContact CB-CD1 4.18Å; T752-L777 WeakPolarHBondContact CA-O 3.48Å; T752-L777 WeakPolarHBondContact CG2-O 3.21Å; L753-L777 HydrophobicContact CB-CB 4.41Å; L753-L777 PolarHBondContact N-O 2.96Å; L753-L777 PolarHBondContact O-N 2.72Å; L775-L777 HydrophobicContact CD1-CD1 3.85Å; L775-L777 HydrophobicContact CD1-CD2 3.46Å; L775-L777 VanDerWaalsContact CD1-CD2 3.46Å; L775-L777 HydrophobicContact CD1-CG 3.32Å; L777-A783 HydrophobicContact CD2-CB 3.67Å
778A88.6Confident85.6Confident42 Ų4270.1 Ų70.135%0.34738%0.376SS..  trans-67.5163.7168.500000110.9N747 H780 D781N747-A778 PolarHBondContact ND2-O 2.77Å; A778-H780 PolarHBondContact O-N 2.79Å; A778-D781 HydrophobicContact CB-CB 3.87Å; A778-D781 VanDerWaalsContact O-CB 3.22Å; A778-D781 WeakPolarHBondContact O-CB 3.16Å; A778-D781 PolarHBondContact O-N 3.48Å; A778-D781 VanDerWaalsContact O-N 3.08Å
779P87.9Confident85.8Confident52 Ų5268 Ų6834%0.33837%0.365SS..THydrogen-bonded Turntrans-52.7128.4174.2-28.737.4000111.8N747 T749 S750 D781N747-P779 WeakPolarHBondContact ND2-CA 3.28Å; T749-P779 WeakPolarHBondContact O-CA 3.3Å; S750-P779 WeakPolarHBondContact O-CB 3.47Å; S750-P779 WeakPolarHBondContact O-CG 2.98Å; P779-D781 PolarHBondContact O-N 3.43Å; P779-D781 VanDerWaalsContact O-N 3.14Å
780H87.6Confident85.9Confident121 Ų12169 Ų6956%0.5636%0.363SS*.THydrogen-bonded Turntrans59.815.5-177.9-55-58.1000116.1N747 Q748 T749 A778N747-H780 WeakPolarHBondContact O-CA 2.88Å; N747-H780 PolarHBondContact O-N 3.02Å; Q748-H780 PolarHBondContact O-CE1 2.82Å; T749-H780 PolarHBondContact O-N 2.71Å; A778-H780 PolarHBondContact O-N 2.79Å
781D89.8Confident86.1Confident70 Ų7064.1 Ų64.137%0.37434%0.34SS..  trans-89.2162.9178-159.111.7000111.9N747 A778 P779N747-D781 PolarHBondContact N-O 3.14Å; A778-D781 HydrophobicContact CB-CB 3.87Å; A778-D781 VanDerWaalsContact O-CB 3.22Å; A778-D781 WeakPolarHBondContact O-CB 3.16Å; A778-D781 PolarHBondContact O-N 3.48Å; A778-D781 VanDerWaalsContact O-N 3.08Å; P779-D781 PolarHBondContact O-N 3.43Å; P779-D781 VanDerWaalsContact O-N 3.14Å
782F90.3Very high85.9Confident133 Ų13358.8 Ų58.858%0.58333%0.329SS*.EExtended strand (participates in β ladder)trans-135.3150.7-178.966.5-88.3000112.4L744 V745 V746L744-F782 HydrophobicContact CD1-CB 4.08Å; L744-F782 HydrophobicContact CD1-CD2 3.8Å; L744-F782 HydrophobicContact CD1-CG 4.33Å; V745-F782 CarbonylContact O-C 3.52Å; V745-F782 VanDerWaalsContact O-CA 3.25Å; V745-F782 WeakPolarHBondContact O-CA 3.31Å; V746-F782 HydrophobicContact CB-CB 4.34Å; V746-F782 HydrophobicContact CG1-CB 4.32Å; V746-F782 HydrophobicContact CG2-CB 3.85Å
783A89.4Confident85.4Confident25 Ų2559.1 Ų59.121%0.20733%0.332CS..EExtended strand (participates in β ladder)trans-141.4148.1175.500000111.2V745 L775 L777V745-A783 PolarHBondContact N-O 3.31Å; V745-A783 PolarHBondContact O-N 3.45Å; L775-A783 HydrophobicContact CD1-CB 4.28Å; L775-A783 HydrophobicContact CD2-CB 3.91Å; L777-A783 HydrophobicContact CD2-CB 3.67Å
784N89.3Confident84.9Confident103 Ų10354.8 Ų54.855%0.55130%0.302SS*.EExtended strand (participates in β ladder)trans-100127.9172.2-74.6-18.7000110.2L744L744-N784 WeakPolarHBondContact CA-OD1 3.42Å; L744-N784 WeakPolarHBondContact CB-OD1 3.4Å; L744-N784 WeakPolarHBondContact CD1-OD1 3.33Å
785I88.7Confident84.4Confident12 Ų1253.5 Ų53.56%0.06229%0.289CS..EExtended strand (participates in β ladder)trans-112.3122.7178.3-56.7179.5000108.5V743 V745 L758 P772 L775V743-I785 HydrophobicContact CB-CB 4.47Å; V743-I785 PolarHBondContact N-O 3.08Å; V743-I785 PolarHBondContact O-N 3.27Å; V745-I785 HydrophobicContact CG2-CD1 3.75Å; V745-I785 HydrophobicContact CG2-CG1 4.3Å; L758-I785 HydrophobicContact CB-CD1 3.86Å; L758-I785 HydrophobicContact CB-CG2 4.48Å; L758-I785 HydrophobicContact CD2-CB 4.38Å; L758-I785 HydrophobicContact CD2-CD1 4.46Å; L758-I785 HydrophobicContact CD2-CG2 3.97Å; P772-I785 HydrophobicContact CB-CG2 3.48Å; P772-I785 VanDerWaalsContact CB-CG2 3.48Å; P772-I785 HydrophobicContact CG-CG2 3.75Å; L775-I785 HydrophobicContact CD2-CD1 3.51Å; L775-I785 HydrophobicContact CD2-CG1 3.48Å; L775-I785 VanDerWaalsContact CD2-CG1 3.48Å; L775-I785 HydrophobicContact CG-CD1 4.5Å
786K87.6Confident83.9Confident134 Ų13454.3 Ų54.358%0.58329%0.294SS*.EExtended strand (participates in β ladder)trans-99.5128.3174.5-65.9-174.3178.6-170.60110.7L741 D742L741-K786 CarbonylContact O-C 3.54Å; L741-K786 WeakPolarHBondContact O-CA 2.72Å; D742-K786 VanDerWaalsContact OD2-CE 3.22Å; D742-K786 WeakPolarHBondContact OD2-CE 3.35Å; D742-K786 IonicContact OD2-NZ 3.31Å
787A86.8Confident83.5Confident0 Ų050.1 Ų50.10%027%0.268CS..EExtended strand (participates in β ladder)trans-123.9128.817400000110.3L741 L760 L768 P772L741-A787 HydrophobicContact CB-CB 4.34Å; L741-A787 PolarHBondContact N-O 3.35Å; L741-A787 PolarHBondContact O-N 3.24Å; L760-A787 HydrophobicContact CD1-CB 3.61Å; L768-A787 HydrophobicContact CD1-CB 4.44Å; P772-A787 HydrophobicContact CG-CB 4.15Å
788N86.9Confident83.5Confident54 Ų5452.2 Ų52.229%0.28928%0.279SS..EExtended strand (participates in β ladder)trans-101.6125.6179.1-64.7-48.5000110.4V740 V769V740-N788 WeakPolarHBondContact CG2-OD1 3.26Å; V769-N788 PolarHBondContact N-O 3.3Å
789V86.1Confident83.5Confident0 Ų050.2 Ų50.20%026%0.262CS..EExtended strand (participates in β ladder)trans-121122.3180-178.50000108.9I739 L741 T762 L766 L768 I799I739-V789 HydrophobicContact CB-CB 4.28Å; I739-V789 PolarHBondContact N-O 2.87Å; I739-V789 PolarHBondContact O-N 2.94Å; L741-V789 HydrophobicContact CD1-CG2 4.28Å; T762-V789 HydrophobicContact CG2-CG1 4.11Å; L766-V789 HydrophobicContact CB-CG1 3.81Å; L766-V789 HydrophobicContact CD1-CG1 4.38Å; L766-V789 HydrophobicContact CD2-CG1 4.31Å; L766-V789 HydrophobicContact CG-CG1 4.4Å; L768-V789 HydrophobicContact CD1-CG2 3.72Å; V789-I799 HydrophobicContact CB-CD1 4.44Å; V789-I799 HydrophobicContact CG1-CD1 4.3Å; V789-I799 HydrophobicContact CG2-CD1 4.04Å
790K84.5Confident83.6Confident107 Ų10751.7 Ų51.747%0.46526%0.264SS..EExtended strand (participates in β ladder)trans-85.8135.5177-91.4179-176.7-168.10111.6D738 L766 K767 V769D738-K790 WeakPolarHBondContact OD1-CE 3.37Å; D738-K790 WeakPolarHBondContact OD1-CG 3.4Å; L766-K790 WeakPolarHBondContact CA-O 3.43Å; K767-K790 PolarHBondContact N-O 3.45Å; K767-K790 PolarHBondContact O-N 2.97Å; V769-K790 HydrophobicContact CG2-CB 3.8Å; V769-K790 HydrophobicContact CG2-CD 3.59Å; V769-K790 HydrophobicContact CG2-CG 3.52Å
791V80.5Confident83.7Confident11 Ų1146.5 Ų46.57%0.06724%0.242CC..EExtended strand (participates in β ladder)trans-92.7114.9175.4-171.10000108.4Y737 I739 L766 S793 F901Y737-V791 PolarHBondContact O-N 3.29Å; I739-V791 HydrophobicContact CD1-CG2 3.58Å; I739-V791 HydrophobicContact CG1-CG2 3.59Å; L766-V791 HydrophobicContact CD2-CB 4.27Å; L766-V791 HydrophobicContact CD2-CG1 4.22Å; L766-V791 HydrophobicContact CD2-CG2 3.89Å; V791-S793 WeakPolarHBondContact CG1-O 3.44Å; V791-F901 HydrophobicContact CB-CZ 4.29Å; V791-F901 HydrophobicContact CG1-CZ 3.91Å
792A72.6Confident83.7Confident65 Ų6545.2 Ų45.254%0.53724%0.236SC..  trans-92.9-22.7176.200000112.8D765D765-A792 HydrophobicContact CB-CB 4.34Å; D765-A792 VanDerWaalsContact O-CB 3.3Å; D765-A792 WeakPolarHBondContact O-CB 3.29Å; D765-A792 PolarHBondContact O-N 2.96Å
793S69.9Low83.8Confident22 Ų2238.9 Ų38.915%0.15421%0.208CC..SBendtrans-149.9156.7-176-173.20000111.7D765 V791 E795D765-S793 WeakPolarHBondContact OD2-CB 3.3Å; V791-S793 WeakPolarHBondContact CG1-O 3.44Å; S793-E795 VanDerWaalsContact C-N 3.35Å; S793-E795 PolarHBondContact O-N 3.31Å; S793-E795 VanDerWaalsContact O-N 3.14Å
794T68.8Low83.8Confident0 Ų039 Ų390%021%0.206CC..SBendtrans-84.574.7175.241.10000111.5I826 F901 E903 M936T794-I826 VanDerWaalsContact O-CD1 3.26Å; T794-I826 WeakPolarHBondContact O-CD1 3.24Å; T794-F901 HydrophobicContact CG2-CB 4.46Å; T794-F901 HydrophobicContact CG2-CD2 3.06Å; T794-F901 HydrophobicContact CG2-CE2 3.39Å; T794-F901 HydrophobicContact CG2-CG 3.99Å; T794-E903 PolarHBondContact OG1-OE2 3.19Å; T794-M936 HydrophobicContact CG2-CE 3.94Å; T794-M936 WeakPolarHBondContact OG1-CE 3.46Å
795E75Confident83.8Confident48 Ų4834.7 Ų34.722%0.22418%0.182CC..SBendtrans-130.9160.317157.1177.4-151.100111G764 D765 S793 G797G764-E795 VanDerWaalsContact C-OE1 3.28Å; G764-E795 WeakPolarHBondContact CA-OE1 3.49Å; D765-E795 HydrophobicContact CB-CG 4.24Å; D765-E795 WeakPolarHBondContact CB-OE1 2.94Å; D765-E795 PolarHBondContact N-OE1 3.01Å; S793-E795 VanDerWaalsContact C-N 3.35Å; S793-E795 PolarHBondContact O-N 3.31Å; S793-E795 VanDerWaalsContact O-N 3.14Å; E795-G797 PolarHBondContact O-N 3.06Å; E795-G797 VanDerWaalsContact O-N 3.11Å
796N76.4Confident83.8Confident51 Ų5136 Ų3627%0.27319%0.189SC..  trans-62.7115.2171.6-72.2-20.8000108.6I826 S939N796-I826 WeakPolarHBondContact OD1-CB 3.32Å; N796-I826 PolarHBondContact OD1-N 2.85Å; N796-I826 VanDerWaalsContact OD1-N 3.14Å; N796-S939 PolarHBondContact N-OG 3.33Å; N796-S939 WeakPolarHBondContact ND2-CB 3.4Å
797G79.6Confident83.6Confident1 Ų131.1 Ų31.11%0.0117%0.171CC..EExtended strand (participates in β ladder)trans-101140.1176.200000110.7E795 I824E795-G797 PolarHBondContact O-N 3.06Å; E795-G797 VanDerWaalsContact O-N 3.11Å; G797-I824 PolarHBondContact O-N 3.22Å
798I86.6Confident82.7Confident45 Ų4534.5 Ų34.523%0.23119%0.194CC..EExtended strand (participates in β ladder)trans-112.2128.9173.1-56175.5000107.8T762 L763 F800 D821T762-I798 WeakPolarHBondContact CA-O 3.38Å; L763-I798 HydrophobicContact CB-CB 4.37Å; L763-I798 PolarHBondContact N-O 2.97Å; L763-I798 PolarHBondContact O-N 2.88Å; L763-I798 VanDerWaalsContact O-N 3.12Å; I798-F800 HydrophobicContact CG2-CD1 4.5Å; I798-D821 HydrophobicContact CG2-CB 3.86Å
799I88.3Confident81.6Confident1 Ų136 Ų361%0.00522%0.222CC..EExtended strand (participates in β ladder)trans-110.5117.6172.9-51.9-179.3000106.9L741 L760 T762 L766 V789 I822 I824L741-I799 HydrophobicContact CD1-CD1 3.69Å; L741-I799 HydrophobicContact CD1-CG2 4.03Å; L741-I799 HydrophobicContact CG-CD1 4.42Å; L760-I799 HydrophobicContact CB-CG2 4.34Å; L760-I799 HydrophobicContact CD1-CG2 4.47Å; L760-I799 HydrophobicContact CD2-CG2 4.19Å; T762-I799 HydrophobicContact CG2-CG1 4.11Å; T762-I799 HydrophobicContact CG2-CG2 4.38Å; L766-I799 HydrophobicContact CD1-CD1 4.21Å; L766-I799 HydrophobicContact CD1-CG1 3.93Å; V789-I799 HydrophobicContact CB-CD1 4.44Å; V789-I799 HydrophobicContact CG1-CD1 4.3Å; V789-I799 HydrophobicContact CG2-CD1 4.04Å; I799-I822 HydrophobicContact CB-CB 4.26Å; I799-I822 PolarHBondContact N-O 3.38Å; I799-I822 PolarHBondContact O-N 3.08Å; I799-I824 HydrophobicContact CD1-CD1 3.39Å; I799-I824 HydrophobicContact CG1-CD1 3.79Å
800F90.1Very high80.4Confident83 Ų8338.3 Ų38.336%0.36424%0.241SC..EExtended strand (participates in β ladder)trans-124.8157.217960.9-82.9000108.8A761 L763 I798 D821A761-F800 HydrophobicContact CB-CD2 4.1Å; A761-F800 HydrophobicContact CB-CE1 4.1Å; A761-F800 HydrophobicContact CB-CE2 3.56Å; A761-F800 HydrophobicContact CB-CZ 3.56Å; A761-F800 PolarHBondContact N-O 3.33Å; A761-F800 PolarHBondContact O-N 2.93Å; L763-F800 HydrophobicContact CB-CE1 3.94Å; I798-F800 HydrophobicContact CG2-CD1 4.5Å; F800-D821 WeakPolarHBondContact CB-OD1 3.37Å
801G89.6Confident78.8Confident11 Ų1138.5 Ų38.511%0.11326%0.263CS..EExtended strand (participates in β ladder)trans-172.1-179.1-174.200000113.5E759 L819E759-G801 CarbonylContact O-C 3Å; E759-G801 WeakPolarHBondContact O-CA 3.11Å; G801-L819 VanDerWaalsContact O-CB 3.32Å; G801-L819 WeakPolarHBondContact O-CB 3.31Å; G801-L819 PolarHBondContact O-N 3.26Å
802N91.7Very high77.7Confident43 Ų4343 Ų4323%0.2330%0.295CS..EExtended strand (participates in β ladder)trans-142.5158.717460.523.4000110.4E759 C816 V817E759-N802 WeakPolarHBondContact CB-OD1 3.49Å; E759-N802 PolarHBondContact N-O 3.01Å; E759-N802 PolarHBondContact O-N 2.87Å; N802-C816 VanDerWaalsContact CB-SG 3.57Å; N802-V817 CarbonylContact C-O 3.51Å; N802-V817 VanDerWaalsContact CA-O 3.23Å; N802-V817 WeakPolarHBondContact CA-O 3.19Å; N802-V817 WeakPolarHBondContact CB-O 3.49Å
803I90.6Very high77.2Confident0 Ų045 Ų450%030%0.297CS..EExtended strand (participates in β ladder)trans-107.8114.5170.6-65172.7000107.2V726 A728 V745 C756 T757 L758 C816 V817 L819V726-I803 HydrophobicContact CG1-CD1 4.1Å; V726-I803 HydrophobicContact CG1-CG2 4.32Å; A728-I803 HydrophobicContact CB-CD1 3.72Å; V745-I803 HydrophobicContact CG1-CD1 4.08Å; V745-I803 HydrophobicContact CG2-CD1 4.05Å; C756-I803 WeakPolarHBondContact SG-CG2 3.33Å; T757-I803 WeakPolarHBondContact O-CA 3.4Å; L758-I803 HydrophobicContact CD1-CG1 3.89Å; I803-C816 CarbonylContact O-C 3.53Å; I803-C816 WeakPolarHBondContact O-CA 3.49Å; I803-V817 PolarHBondContact N-O 3.16Å; I803-V817 PolarHBondContact O-N 2.96Å; I803-L819 HydrophobicContact CD1-CD2 3.79Å; I803-L819 HydrophobicContact CG1-CD1 4.19Å; I803-L819 HydrophobicContact CG1-CD2 3.93Å; I803-L819 HydrophobicContact CG1-CG 4.37Å
804V90.8Very high77.5Confident28 Ų2853.4 Ų53.417%0.1733%0.325CS..EExtended strand (participates in β ladder)trans-100.2131.7176.5-176.20000108.5N755 C756 T757 N815 C816N755-V804 VanDerWaalsContact O-O 3.12Å; C756-V804 CarbonylContact C-O 3.57Å; C756-V804 VanDerWaalsContact CA-O 3.28Å; C756-V804 WeakPolarHBondContact CA-O 3.33Å; T757-V804 PolarHBondContact N-O 3.34Å; T757-V804 PolarHBondContact O-N 3.17Å; V804-N815 WeakPolarHBondContact CA-O 2.96Å; V804-C816 HydrophobicContact CG2-CB 4.5Å
805Y89.1Confident78.2Confident13 Ų1356.2 Ų56.25%0.05134%0.34CS..EExtended strand (participates in β ladder)trans-147.4153.3179.667.1-87.9000112P725 V726 L753 V807 N815 V817P725-Y805 VanDerWaalsContact CB-OH 3.27Å; P725-Y805 WeakPolarHBondContact CB-OH 3.47Å; V726-Y805 HydrophobicContact CG2-CD1 3.91Å; V726-Y805 HydrophobicContact CG2-CE1 3.78Å; V726-Y805 HydrophobicContact CG2-CG 4.49Å; L753-Y805 HydrophobicContact CB-CD2 4.27Å; L753-Y805 HydrophobicContact CD1-CD2 4.11Å; L753-Y805 HydrophobicContact CD1-CE2 4.38Å; L753-Y805 HydrophobicContact CD1-CG 4.33Å; L753-Y805 HydrophobicContact CD2-CD2 3.6Å; L753-Y805 HydrophobicContact CD2-CE2 3.68Å; L753-Y805 HydrophobicContact CG-CD2 4.19Å; Y805-V807 HydrophobicContact CD2-CG2 4.24Å; Y805-V807 HydrophobicContact CE2-CG2 3.92Å; Y805-N815 HydrophobicContact CD1-CB 4.2Å; Y805-N815 HydrophobicContact CD2-CB 4.04Å; Y805-N815 HydrophobicContact CE1-CB 3.67Å; Y805-N815 HydrophobicContact CE2-CB 3.54Å; Y805-N815 HydrophobicContact CG-CB 4.37Å; Y805-N815 PolarHBondContact N-O 3.11Å; Y805-N815 PolarHBondContact O-N 3.49Å; Y805-V817 HydrophobicContact CE1-CG2 3.86Å
806D87.5Confident78.7Confident38 Ų3857 Ų5720%0.20335%0.35CS..EExtended strand (participates in β ladder)trans-109.3138.2176.8-61.9-36.8000109.5Q754 N755 R814Q754-D806 HydrophobicContact CB-CB 4.49Å; Q754-D806 PolarHBondContact N-O 3.38Å; Q754-D806 PolarHBondContact O-N 3.25Å; N755-D806 PolarHBondContact ND2-OD2 2.66Å; D806-R814 WeakPolarHBondContact OD1-CG 3.41Å
807V83.5Confident79.4Confident33 Ų3355.2 Ų55.220%0.234%0.341CS..EExtended strand (participates in β ladder)trans-93.4130.7174.7-178.90000109.4D751 L753 Y805 G809 A810D751-V807 HydrophobicContact CB-CG1 3.93Å; L753-V807 HydrophobicContact CD2-CG2 4.2Å; Y805-V807 HydrophobicContact CD2-CG2 4.24Å; Y805-V807 HydrophobicContact CE2-CG2 3.92Å; V807-G809 PolarHBondContact O-N 3.17Å; V807-G809 VanDerWaalsContact O-N 3.13Å; V807-A810 PolarHBondContact O-N 2.95Å
808S68.3Low79.9Confident71 Ų7160.4 Ų60.450%0.49737%0.372SS..THydrogen-bonded Turntrans-56.5118.2-179.7-163.90000111.5T752T752-S808 PolarHBondContact O-N 2.89Å
809G65.1Low80.1Confident85 Ų8558.7 Ų58.788%0.87636%0.363SS*.THydrogen-bonded Turntrans104.9-9.7177.100000116.1V807V807-G809 PolarHBondContact O-N 3.17Å; V807-G809 VanDerWaalsContact O-N 3.13Å
810A60.4Low80.1Confident48 Ų4861.9 Ų61.940%0.39739%0.386SS..  trans-99.298.9174.500000110.7V807 S812V807-A810 PolarHBondContact O-N 2.95Å; A810-S812 PolarHBondContact O-N 2.84Å
811A50.9Low80.1Confident111 Ų11161.5 Ų61.592%0.91739%0.388SS*.SBendtrans-79.355.7-179.500000112.5
812S56.5Low79.9Confident106 Ų10661.3 Ų61.374%0.74138%0.384SS*.SBendtrans176.8-12159.3-163.50000114.9A810 R814A810-S812 PolarHBondContact O-N 2.84Å; S812-R814 PolarHBondContact O-N 3.35Å
813D63.2Low79.5Confident107 Ų10765.4 Ų65.457%0.57240%0.402SS*.  trans-9493.3-169.6-72.4-17.7000111.8N815D813-N815 PolarHBondContact O-N 2.96Å
814R74.8Confident79Confident198 Ų19865.9 Ų65.975%0.74740%0.404SS*.EExtended strand (participates in β ladder)trans-74.2109167-78.9-178.4176.7-175.60.3109D806 S812D806-R814 WeakPolarHBondContact OD1-CG 3.41Å; S812-R814 PolarHBondContact O-N 3.35Å
815N83.4Confident78.2Confident59 Ų5967.6 Ų67.632%0.31641%0.412SS..EExtended strand (participates in β ladder)trans-86.8144.9175.1-66.8-43.9000109.8V804 Y805 D813V804-N815 WeakPolarHBondContact CA-O 2.96Å; Y805-N815 HydrophobicContact CD1-CB 4.2Å; Y805-N815 HydrophobicContact CD2-CB 4.04Å; Y805-N815 HydrophobicContact CE1-CB 3.67Å; Y805-N815 HydrophobicContact CE2-CB 3.54Å; Y805-N815 HydrophobicContact CG-CB 4.37Å; Y805-N815 PolarHBondContact N-O 3.11Å; Y805-N815 PolarHBondContact O-N 3.49Å; D813-N815 PolarHBondContact O-N 2.96Å
816C87.2Confident77.6Confident66 Ų6667 Ų6745%0.44641%0.41SS..EExtended strand (participates in β ladder)trans-138.4122.8-176.5-179.70000109.5N802 I803 V804N802-C816 VanDerWaalsContact CB-SG 3.57Å; I803-C816 CarbonylContact O-C 3.53Å; I803-C816 WeakPolarHBondContact O-CA 3.49Å; V804-C816 HydrophobicContact CG2-CB 4.5Å
817V90.1Very high76.9Confident13 Ų1365.9 Ų65.98%0.07940%0.404CS..EExtended strand (participates in β ladder)trans-101.6119.8169-169.90000108.1T720 D724 V726 N802 I803 Y805T720-V817 HydrophobicContact CG2-CG1 3.58Å; D724-V817 HydrophobicContact CB-CG1 4.22Å; V726-V817 HydrophobicContact CB-CG2 4.3Å; N802-V817 CarbonylContact C-O 3.51Å; N802-V817 VanDerWaalsContact CA-O 3.23Å; N802-V817 WeakPolarHBondContact CA-O 3.19Å; N802-V817 WeakPolarHBondContact CB-O 3.49Å; I803-V817 PolarHBondContact N-O 3.16Å; I803-V817 PolarHBondContact O-N 2.96Å; Y805-V817 HydrophobicContact CE1-CG2 3.86Å
818V89.9Confident76.5Confident109 Ų10967.2 Ų67.266%0.66141%0.409SS*.EExtended strand (participates in β ladder)trans-78.9130.6174.9-177.50000108.7
819L90.4Very high76.8Confident9 Ų964 Ų645%0.04739%0.386CS..PPolyproline II helixtrans-85.9153.6-179.1-57.4175.3000110.8L719 T720 A728 L758 G801 I803L719-L819 HydrophobicContact CB-CB 4.25Å; L719-L819 HydrophobicContact CB-CD2 3.94Å; L719-L819 HydrophobicContact CD1-CD1 4.22Å; T720-L819 HydrophobicContact CG2-CD2 3.39Å; A728-L819 HydrophobicContact CB-CD2 4.21Å; L758-L819 HydrophobicContact CD1-CD1 3.34Å; G801-L819 VanDerWaalsContact O-CB 3.32Å; G801-L819 WeakPolarHBondContact O-CB 3.31Å; G801-L819 PolarHBondContact O-N 3.26Å; I803-L819 HydrophobicContact CD1-CD2 3.79Å; I803-L819 HydrophobicContact CG1-CD1 4.19Å; I803-L819 HydrophobicContact CG1-CD2 3.93Å; I803-L819 HydrophobicContact CG1-CG 4.37Å
820S89.9Confident77.6Confident68 Ų6860 Ų6048%0.47635%0.345SS..PPolyproline II helixtrans-68.3143.8166.6-160.10000111.1L719 I822L719-S820 WeakPolarHBondContact CD2-O 3.47Å; L719-S820 WeakPolarHBondContact O-CB 3.45Å; L719-S820 PolarHBondContact O-N 3.47Å; S820-I822 PolarHBondContact O-N 3.01Å
821D88.3Confident78.5Confident76 Ų7662.8 Ų62.841%0.40635%0.35SS..PPolyproline II helixtrans-70.8127.1-177-61.1-21.3000111.9I798 F800 H823I798-D821 HydrophobicContact CG2-CB 3.86Å; F800-D821 WeakPolarHBondContact CB-OD1 3.37Å; D821-H823 PolarHBondContact O-ND1 3.41Å; D821-H823 VanDerWaalsContact O-ND1 3.1Å
822I86.8Confident80.1Confident7 Ų761.7 Ų61.74%0.03633%0.333CS..EExtended strand (participates in β ladder)trans-86.6117174.1-54173000108.5L719 A730 V732 L741 I799 S820L719-I822 HydrophobicContact CD1-CD1 4.45Å; L719-I822 HydrophobicContact CD2-CD1 3.8Å; L719-I822 HydrophobicContact CD2-CG1 3.51Å; A730-I822 HydrophobicContact CB-CD1 3.9Å; V732-I822 HydrophobicContact CG2-CG2 3.81Å; L741-I822 HydrophobicContact CD1-CD1 4.41Å; L741-I822 HydrophobicContact CD2-CD1 4.12Å; I799-I822 HydrophobicContact CB-CB 4.26Å; I799-I822 PolarHBondContact N-O 3.38Å; I799-I822 PolarHBondContact O-N 3.08Å; S820-I822 PolarHBondContact O-N 3.01Å
823H82.2Confident81.3Confident129 Ų12957.7 Ų57.760%0.59731%0.307SS*.EExtended strand (participates in β ladder)trans-94.2119.3177.7-65.869.5000109.8D821D821-H823 PolarHBondContact O-ND1 3.41Å; D821-H823 VanDerWaalsContact O-ND1 3.1Å
824I79.8Confident82.1Confident9 Ų956.3 Ų56.35%0.04631%0.306CS..EExtended strand (participates in β ladder)trans-93.4115173.1-66.3154.9000108.3I739 L766 G797 I799 Y829I739-I824 HydrophobicContact CD1-CD1 3.29Å; I739-I824 HydrophobicContact CD1-CG1 4.04Å; I739-I824 HydrophobicContact CD1-CG2 3.96Å; I739-I824 HydrophobicContact CG2-CD1 4.5Å; L766-I824 HydrophobicContact CD1-CD1 3.5Å; L766-I824 VanDerWaalsContact CD1-CD1 3.5Å; G797-I824 PolarHBondContact O-N 3.22Å; I799-I824 HydrophobicContact CD1-CD1 3.39Å; I799-I824 HydrophobicContact CG1-CD1 3.79Å; I824-Y829 HydrophobicContact CG2-CE2 4.06Å
825D75.5Confident82.5Confident64 Ų6447.9 Ų47.934%0.34228%0.277SS..  trans-77.9131.3-179.8-87.7-40.1000111.2M827 D828 K943D825-M827 PolarHBondContact O-N 3.38Å; D825-D828 PolarHBondContact O-N 3.23Å; D825-K943 IonicContact OD1-NZ 3.48Å; D825-K943 PolarHBondContact OD1-NZ 2.7Å; D825-K943 IonicContact OD2-NZ 2.71Å; D825-K943 PolarHBondContact OD2-NZ 2.97Å
826I75.8Confident82.1Confident0 Ų048.2 Ų48.20%028%0.281CS..G310 helixtrans-57-23.8172.6-164.5166.4000113.6T794 N796 D828 Y829 I830 M936T794-I826 VanDerWaalsContact O-CD1 3.26Å; T794-I826 WeakPolarHBondContact O-CD1 3.24Å; N796-I826 WeakPolarHBondContact OD1-CB 3.32Å; N796-I826 PolarHBondContact OD1-N 2.85Å; N796-I826 VanDerWaalsContact OD1-N 3.14Å; I826-D828 PolarHBondContact O-N 3.17Å; I826-Y829 WeakPolarHBondContact O-CB 3.43Å; I826-Y829 PolarHBondContact O-N 2.86Å; I826-I830 HydrophobicContact CD1-CD1 4.48Å; I826-I830 HydrophobicContact CG1-CD1 4.1Å; I826-I830 HydrophobicContact CG1-CG1 4.38Å; I826-I830 HydrophobicContact CG2-CD1 4.35Å; I826-M936 HydrophobicContact CD1-CB 4.43Å; I826-M936 HydrophobicContact CD1-CE 4.07Å; I826-M936 HydrophobicContact CD1-CG 4.46Å; I826-M936 HydrophobicContact CD1-SD 3.38Å; I826-M936 WeakPolarHBondContact CD1-SD 3.47Å; I826-M936 HydrophobicContact CG1-SD 4.16Å
827M74.1Confident81.7Confident16 Ų1648.7 Ų48.78%0.07928%0.279CS..G310 helixtrans-62.8-23.4-175.4-68.6-46.9-5000114D825 Y829 I830 T873 N874 L940 K943D825-M827 PolarHBondContact O-N 3.38Å; M827-Y829 PolarHBondContact O-N 3.45Å; M827-I830 HydrophobicContact CE-CB 4.46Å; M827-I830 HydrophobicContact SD-CD1 4.3Å; M827-T873 VanDerWaalsContact CE-CA 3.48Å; M827-T873 WeakPolarHBondContact CE-O 3.39Å; M827-N874 HydrophobicContact CE-CB 3.78Å; M827-L940 HydrophobicContact SD-CD2 4.28Å; M827-K943 HydrophobicContact CG-CD 4.33Å; M827-K943 HydrophobicContact CG-CG 3.96Å; M827-K943 HydrophobicContact SD-CG 4.24Å
828D73.2Confident81Confident60 Ų6051.6 Ų51.632%0.32130%0.304SS..G310 helixtrans-67.9-23.7175.5-74.8-27.1000112.2R702 D825 I826R702-D828 PolarHBondContact NH2-O 3.07Å; R702-D828 VanDerWaalsContact NH2-O 3.12Å; D825-D828 PolarHBondContact O-N 3.23Å; I826-D828 PolarHBondContact O-N 3.17Å
829Y76Confident80.5Confident3 Ų349 Ų491%0.01229%0.285CS..THydrogen-bonded Turntrans-97-11.6-177.3-53.9-64.8000114.4V734 I739 I824 I826 M827 S899 I900 F901V734-Y829 HydrophobicContact CG1-CD1 4.33Å; V734-Y829 HydrophobicContact CG1-CE1 3.37Å; V734-Y829 WeakPolarHBondContact CG1-OH 3.36Å; I739-Y829 WeakPolarHBondContact CD1-OH 3.38Å; I824-Y829 HydrophobicContact CG2-CE2 4.06Å; I826-Y829 WeakPolarHBondContact O-CB 3.43Å; I826-Y829 PolarHBondContact O-N 2.86Å; M827-Y829 PolarHBondContact O-N 3.45Å; Y829-S899 CarbonylContact O-C 3.58Å; Y829-S899 VanDerWaalsContact O-CA 3.25Å; Y829-S899 WeakPolarHBondContact O-CA 3.3Å; Y829-I900 HydrophobicContact CD1-CD1 3.59Å; Y829-I900 HydrophobicContact CD1-CG1 4.08Å; Y829-I900 HydrophobicContact CE1-CD1 4.33Å; Y829-I900 PolarHBondContact O-N 3.29Å; Y829-F901 AromaticContact CD1-CE2 3.71Å; Y829-F901 HydrophobicContact CD1-CE2 3.71Å; Y829-F901 HydrophobicContact CD1-CZ 4.24Å; Y829-F901 HydrophobicContact CE1-CE2 4.27Å; Y829-F901 HydrophobicContact CE1-CZ 4.4Å; Y829-F901 AromaticContact CG-CE2 4Å; Y829-F901 HydrophobicContact CG-CE2 4Å
830I81.1Confident80.4Confident3 Ų349 Ų492%0.01529%0.285CS..EExtended strand (participates in β ladder)trans-96.7126.2-174.2-62.1-179.2000110.6I826 M827 A897 M936 L940I826-I830 HydrophobicContact CD1-CD1 4.48Å; I826-I830 HydrophobicContact CG1-CD1 4.1Å; I826-I830 HydrophobicContact CG1-CG1 4.38Å; I826-I830 HydrophobicContact CG2-CD1 4.35Å; M827-I830 HydrophobicContact CE-CB 4.46Å; M827-I830 HydrophobicContact SD-CD1 4.3Å; I830-A897 HydrophobicContact CG2-CB 3.49Å; I830-A897 VanDerWaalsContact CG2-CB 3.49Å; I830-M936 HydrophobicContact CD1-SD 3.77Å; I830-M936 HydrophobicContact CG1-SD 4.25Å; I830-L940 HydrophobicContact CD1-CD1 4.12Å; I830-L940 HydrophobicContact CD1-CD2 3.49Å; I830-L940 VanDerWaalsContact CD1-CD2 3.49Å; I830-L940 HydrophobicContact CD1-CG 3.87Å
831Q79.5Confident80.1Confident105 Ų10553.5 Ų53.549%0.49129%0.291SS..EExtended strand (participates in β ladder)trans-114.2142.7176.1-61.7-173.5-1.400111.5A833 A897 R898 I900Q831-A833 PolarHBondContact O-N 3.14Å; Q831-A897 WeakPolarHBondContact O-CB 3.27Å; Q831-R898 PolarHBondContact N-O 3.2Å; Q831-R898 PolarHBondContact O-N 3.28Å; Q831-R898 VanDerWaalsContact O-O 3.1Å; Q831-I900 HydrophobicContact CG-CG2 4.16Å
832P83.6Confident79.9Confident88 Ų8856.1 Ų56.157%0.57130%0.301SS*.EExtended strand (participates in β ladder)trans-65.8127.9176.425-31.9000110.5N874 K876P832-N874 VanDerWaalsContact CA-O 3.3Å; P832-N874 WeakPolarHBondContact CA-O 3.47Å; P832-N874 WeakPolarHBondContact CB-O 3.43Å; P832-K876 HydrophobicContact CB-CB 4.4Å
833A82.4Confident79.9Confident23 Ų2357 Ų5719%0.1931%0.305CS..  trans-131.3163.3178.400000110.5Q831 K876 Y896 R898Q831-A833 PolarHBondContact O-N 3.14Å; A833-K876 WeakPolarHBondContact O-CB 3.38Å; A833-Y896 VanDerWaalsContact C-CD1 3.45Å; A833-Y896 HydrophobicContact CB-CD1 3.88Å; A833-Y896 HydrophobicContact CB-CE1 3.45Å; A833-Y896 VanDerWaalsContact CB-CE1 3.45Å; A833-Y896 VanDerWaalsContact O-CD1 3.32Å; A833-Y896 WeakPolarHBondContact O-CD1 3.39Å; A833-R898 HydrophobicContact CB-CB 3.83Å
834S80.9Confident80.3Confident77 Ų7753.1 Ų53.154%0.53829%0.285SS..  trans-126.4142.8172.737.90000111.3K876S834-K876 PolarHBondContact OG-NZ 3.34Å; S834-K876 VanDerWaalsContact OG-NZ 3.13Å
835C81.7Confident80.6Confident22 Ų2256.5 Ų56.515%0.14932%0.315CS..  trans-134.8166.5172.764.70000110.2E839 M843 L878 Y896C835-E839 HydrophobicContact CB-CB 4.42Å; C835-M843 HydrophobicContact CB-CE 4.01Å; C835-L878 VanDerWaalsContact SG-CD1 3.53Å; C835-Y896 HydrophobicContact CB-CD1 3.96Å; C835-Y896 HydrophobicContact CB-CE1 3.79Å
836T76.6Confident81.2Confident66 Ų6659.3 Ų59.341%0.40533%0.326SS..  trans-76.7157.2175.963.30000111.5A838 E839 F840T836-A838 PolarHBondContact O-N 3.32Å; T836-E839 PolarHBondContact N-OE2 3.42Å; T836-E839 PolarHBondContact O-N 2.91Å; T836-E839 WeakPolarHBondContact OG1-CB 3.43Å; T836-E839 WeakPolarHBondContact OG1-CG 3.45Å; T836-E839 PolarHBondContact OG1-N 3.43Å; T836-E839 PolarHBondContact OG1-OE2 2.76Å; T836-F840 WeakPolarHBondContact O-CB 3.48Å; T836-F840 PolarHBondContact O-N 3.25Å
837D77.5Confident81.8Confident76 Ų7660 Ų6041%0.40633%0.329SS..Hα-helixtrans-61.9-31.5177.9-179.756.1000112.6R841D837-R841 VanDerWaalsContact O-CG 3.27Å; D837-R841 WeakPolarHBondContact O-CG 3.45Å; D837-R841 PolarHBondContact O-N 3.36Å; D837-R841 IonicContact OD1-CZ 2.83Å; D837-R841 IonicContact OD1-NE 3.97Å; D837-R841 PolarHBondContact OD1-NE 3.22Å; D837-R841 IonicContact OD1-NH2 2.7Å; D837-R841 IonicContact OD2-CZ 2.7Å; D837-R841 IonicContact OD2-NE 3.72Å; D837-R841 PolarHBondContact OD2-NE 2.79Å; D837-R841 VanDerWaalsContact OD2-NE 3.11Å; D837-R841 IonicContact OD2-NH1 3.57Å; D837-R841 IonicContact OD2-NH2 3.68Å; D837-R841 PolarHBondContact OD2-NH2 2.87Å
838A75.6Confident82.3Confident73 Ų7367.5 Ų67.560%0.60336%0.364SS*.Hα-helixtrans-68.3-48.217500000111.8T836 F840 R841 Q842T836-A838 PolarHBondContact O-N 3.32Å; A838-F840 VanDerWaalsContact C-N 3.32Å; A838-F840 PolarHBondContact O-N 2.97Å; A838-R841 PolarHBondContact O-N 3.27Å; A838-Q842 PolarHBondContact O-N 3.17Å
839E80.8Confident83Confident56 Ų5670 Ų7026%0.26237%0.369SS..Hα-helixtrans-61.3-42.3174.8-72.2159.5176.400110.6R385 C835 T836 R841 Q842 M843R385-E839 IonicContact CZ-OE1 3.19Å; R385-E839 IonicContact NH1-OE1 2.99Å; R385-E839 PolarHBondContact NH1-OE1 3.12Å; R385-E839 IonicContact NH2-OE1 3.3Å; C835-E839 HydrophobicContact CB-CB 4.42Å; T836-E839 PolarHBondContact N-OE2 3.42Å; T836-E839 PolarHBondContact O-N 2.91Å; T836-E839 WeakPolarHBondContact OG1-CB 3.43Å; T836-E839 WeakPolarHBondContact OG1-CG 3.45Å; T836-E839 PolarHBondContact OG1-N 3.43Å; T836-E839 PolarHBondContact OG1-OE2 2.76Å; E839-R841 VanDerWaalsContact C-N 3.34Å; E839-R841 PolarHBondContact O-N 3.23Å; E839-Q842 PolarHBondContact O-N 3.43Å; E839-M843 HydrophobicContact CB-CE 4.27Å; E839-M843 WeakPolarHBondContact O-CB 3.44Å; E839-M843 WeakPolarHBondContact O-CG 3.34Å; E839-M843 PolarHBondContact O-N 2.99Å
840F86.6Confident83.6Confident7 Ų773.2 Ų73.23%0.03138%0.384CS..Hα-helixtrans-56-48.2175.1-176.9-85.5000111.1T836 A838 W844 L878 N894 L906T836-F840 WeakPolarHBondContact O-CB 3.48Å; T836-F840 PolarHBondContact O-N 3.25Å; A838-F840 VanDerWaalsContact C-N 3.32Å; A838-F840 PolarHBondContact O-N 2.97Å; F840-W844 HydrophobicContact CE1-CB 4.47Å; F840-W844 HydrophobicContact CE1-CD2 4.16Å; F840-W844 AromaticContact CE1-CE3 3.67Å; F840-W844 HydrophobicContact CE1-CE3 3.67Å; F840-W844 HydrophobicContact CE1-CZ3 4.3Å; F840-W844 HydrophobicContact CE2-CE3 4.41Å; F840-W844 HydrophobicContact CZ-CD2 4.43Å; F840-W844 AromaticContact CZ-CE3 3.51Å; F840-W844 HydrophobicContact CZ-CE3 3.51Å; F840-W844 AromaticContact CZ-CZ3 3.8Å; F840-W844 HydrophobicContact CZ-CZ3 3.8Å; F840-W844 WeakPolarHBondContact O-CA 3.35Å; F840-W844 WeakPolarHBondContact O-CB 3.45Å; F840-W844 PolarHBondContact O-N 3.18Å; F840-L878 HydrophobicContact CB-CD1 4.4Å; F840-L878 HydrophobicContact CD2-CD1 3.58Å; F840-L878 HydrophobicContact CE2-CD1 4.24Å; F840-L878 HydrophobicContact CG-CD1 4.26Å; F840-N894 HydrophobicContact CE1-CB 4.15Å; F840-N894 HydrophobicContact CE2-CB 4.06Å; F840-N894 HydrophobicContact CZ-CB 3.85Å; F840-L906 HydrophobicContact CD2-CD2 3.4Å; F840-L906 VanDerWaalsContact CD2-CD2 3.4Å; F840-L906 HydrophobicContact CD2-CG 4.41Å; F840-L906 HydrophobicContact CE2-CB 3.83Å; F840-L906 HydrophobicContact CE2-CD2 3.51Å; F840-L906 HydrophobicContact CE2-CG 4.15Å; F840-L906 HydrophobicContact CG-CD2 4.31Å; F840-L906 HydrophobicContact CZ-CB 4.19Å; F840-L906 HydrophobicContact CZ-CD2 4.49Å
841R85.4Confident84.1Confident164 Ų16474.5 Ų74.562%0.61939%0.391SS*.Hα-helixtrans-66.6-37.3179.3-71.6172.7-166.3-172.63.3113D837 A838 E839 A845D837-R841 VanDerWaalsContact O-CG 3.27Å; D837-R841 WeakPolarHBondContact O-CG 3.45Å; D837-R841 PolarHBondContact O-N 3.36Å; D837-R841 IonicContact OD1-CZ 2.83Å; D837-R841 IonicContact OD1-NE 3.97Å; D837-R841 PolarHBondContact OD1-NE 3.22Å; D837-R841 IonicContact OD1-NH2 2.7Å; D837-R841 IonicContact OD2-CZ 2.7Å; D837-R841 IonicContact OD2-NE 3.72Å; D837-R841 PolarHBondContact OD2-NE 2.79Å; D837-R841 VanDerWaalsContact OD2-NE 3.11Å; D837-R841 IonicContact OD2-NH1 3.57Å; D837-R841 IonicContact OD2-NH2 3.68Å; D837-R841 PolarHBondContact OD2-NH2 2.87Å; A838-R841 PolarHBondContact O-N 3.27Å; E839-R841 VanDerWaalsContact C-N 3.34Å; E839-R841 PolarHBondContact O-N 3.23Å; R841-A845 WeakPolarHBondContact O-CB 3.27Å; R841-A845 PolarHBondContact O-N 3.02Å
842Q84Confident84.7Confident130 Ų13074.4 Ų74.461%0.60739%0.389SS*.Hα-helixtrans-64-53.9175.5-178.8179.3-4.300110.5A838 E839 W844 A845 E846A838-Q842 PolarHBondContact O-N 3.17Å; E839-Q842 PolarHBondContact O-N 3.43Å; Q842-W844 VanDerWaalsContact C-N 3.26Å; Q842-W844 PolarHBondContact O-N 2.86Å; Q842-A845 PolarHBondContact O-N 2.89Å; Q842-A845 VanDerWaalsContact O-N 3.09Å; Q842-E846 WeakPolarHBondContact O-CB 3.31Å; Q842-E846 PolarHBondContact O-N 3.48Å
843M86.6Confident85.1Confident25 Ų2570.4 Ų70.412%0.12336%0.363CS..Hα-helixtrans-60.7-38.4177.2-67.2-175.3-6900111.2C835 E839 A845 E846 F847 Y896 D904 L906C835-M843 HydrophobicContact CB-CE 4.01Å; E839-M843 HydrophobicContact CB-CE 4.27Å; E839-M843 WeakPolarHBondContact O-CB 3.44Å; E839-M843 WeakPolarHBondContact O-CG 3.34Å; E839-M843 PolarHBondContact O-N 2.99Å; M843-A845 VanDerWaalsContact C-N 3.29Å; M843-A845 PolarHBondContact O-N 3.05Å; M843-E846 PolarHBondContact O-N 3.16Å; M843-F847 HydrophobicContact CB-CE1 4.13Å; M843-F847 HydrophobicContact CB-CE2 4.28Å; M843-F847 HydrophobicContact CB-CZ 3.91Å; M843-F847 HydrophobicContact CG-CZ 4.34Å; M843-F847 WeakPolarHBondContact O-CB 3.19Å; M843-F847 VanDerWaalsContact O-CD1 3.27Å; M843-F847 WeakPolarHBondContact O-CD1 3.06Å; M843-F847 WeakPolarHBondContact O-CG 3.39Å; M843-F847 PolarHBondContact O-N 3.32Å; M843-F847 HydrophobicContact SD-CZ 4.39Å; M843-Y896 HydrophobicContact CE-CE2 4.28Å; M843-D904 HydrophobicContact SD-CB 4.4Å; M843-L906 HydrophobicContact CB-CD1 3.68Å; M843-L906 HydrophobicContact CE-CD2 4.03Å
844W89.6Confident85.4Confident48 Ų4872.7 Ų72.718%0.18238%0.375CS..Hα-helixtrans-60.8-39.2176.1-169.9-86.7000112F840 Q842 L906 N908 R928 R930F840-W844 HydrophobicContact CE1-CB 4.47Å; F840-W844 HydrophobicContact CE1-CD2 4.16Å; F840-W844 AromaticContact CE1-CE3 3.67Å; F840-W844 HydrophobicContact CE1-CE3 3.67Å; F840-W844 HydrophobicContact CE1-CZ3 4.3Å; F840-W844 HydrophobicContact CE2-CE3 4.41Å; F840-W844 HydrophobicContact CZ-CD2 4.43Å; F840-W844 AromaticContact CZ-CE3 3.51Å; F840-W844 HydrophobicContact CZ-CE3 3.51Å; F840-W844 AromaticContact CZ-CZ3 3.8Å; F840-W844 HydrophobicContact CZ-CZ3 3.8Å; F840-W844 WeakPolarHBondContact O-CA 3.35Å; F840-W844 WeakPolarHBondContact O-CB 3.45Å; F840-W844 PolarHBondContact O-N 3.18Å; Q842-W844 VanDerWaalsContact C-N 3.26Å; Q842-W844 PolarHBondContact O-N 2.86Å; W844-L906 HydrophobicContact CB-CD1 4.24Å; W844-L906 HydrophobicContact CE3-CB 3.76Å; W844-L906 HydrophobicContact CE3-CD1 4.05Å; W844-L906 HydrophobicContact CZ3-CB 3.85Å; W844-N908 HydrophobicContact CH2-CB 3.48Å; W844-N908 VanDerWaalsContact CH2-CB 3.48Å; W844-N908 HydrophobicContact CZ2-CB 4.03Å; W844-N908 HydrophobicContact CZ3-CB 4.01Å; W844-R928 HydrophobicContact CH2-CB 3.92Å; W844-R928 WeakPolarHBondContact CH2-O 3.42Å; W844-R928 HydrophobicContact CZ2-CB 4.07Å; W844-R930 HydrophobicContact CD2-CG 4.36Å; W844-R930 HydrophobicContact CE3-CB 4.27Å; W844-R930 HydrophobicContact CE3-CG 4.34Å; W844-R930 HydrophobicContact CH2-CG 4.05Å; W844-R930 HydrophobicContact CZ2-CG 4.07Å; W844-R930 HydrophobicContact CZ3-CB 4.21Å; W844-R930 HydrophobicContact CZ3-CG 4.19Å; W844-R930 WeakPolarHBondContact O-CD 3.48Å; W844-R930 PolarHBondContact O-NH1 3.23Å
845A86.2Confident85.6Confident81 Ų8169.1 Ų69.167%0.66935%0.349SS*.Hα-helixtrans-75.3-33176.800000112.9R841 Q842 M843R841-A845 WeakPolarHBondContact O-CB 3.27Å; R841-A845 PolarHBondContact O-N 3.02Å; Q842-A845 PolarHBondContact O-N 2.89Å; Q842-A845 VanDerWaalsContact O-N 3.09Å; M843-A845 VanDerWaalsContact C-N 3.29Å; M843-A845 PolarHBondContact O-N 3.05Å
846E87.5Confident85.6Confident122 Ų12273.6 Ų73.657%0.5737%0.372SS*.Hα-helixtrans-74.8-35.3179.5-172.318016600112.6Q842 M843 E848Q842-E846 WeakPolarHBondContact O-CB 3.31Å; Q842-E846 PolarHBondContact O-N 3.48Å; M843-E846 PolarHBondContact O-N 3.16Å; E846-E848 PolarHBondContact O-N 2.86Å
847F88.6Confident85.7Confident16 Ų1670.8 Ų70.87%0.0736%0.355CS..  trans-71.7119.6-176.1-68.5-1.7000111.6M843 D904 L906 R930 K932M843-F847 HydrophobicContact CB-CE1 4.13Å; M843-F847 HydrophobicContact CB-CE2 4.28Å; M843-F847 HydrophobicContact CB-CZ 3.91Å; M843-F847 HydrophobicContact CG-CZ 4.34Å; M843-F847 WeakPolarHBondContact O-CB 3.19Å; M843-F847 VanDerWaalsContact O-CD1 3.27Å; M843-F847 WeakPolarHBondContact O-CD1 3.06Å; M843-F847 WeakPolarHBondContact O-CG 3.39Å; M843-F847 PolarHBondContact O-N 3.32Å; M843-F847 HydrophobicContact SD-CZ 4.39Å; F847-D904 HydrophobicContact CE2-CB 4.2Å; F847-D904 WeakPolarHBondContact CE2-O 3.5Å; F847-D904 HydrophobicContact CZ-CB 3.76Å; F847-L906 HydrophobicContact CD2-CD1 3.59Å; F847-L906 HydrophobicContact CD2-CG 4.14Å; F847-L906 HydrophobicContact CE2-CD1 3.5Å; F847-L906 HydrophobicContact CE2-CG 3.76Å; F847-L906 HydrophobicContact CZ-CD1 4.37Å; F847-R930 HydrophobicContact CB-CB 4.04Å; F847-R930 HydrophobicContact CD2-CB 4.16Å; F847-K932 HydrophobicContact CE1-CB 4.47Å
848E84.7Confident85.8Confident173 Ų17372.2 Ų72.281%0.80836%0.362SS*.  trans-77.7-34.4-176.2-60.4-177.2167.900112.6E846E846-E848 PolarHBondContact O-N 2.86Å
849W87.4Confident86Confident111 Ų11169.9 Ų69.942%0.4234%0.339SS..EExtended strand (participates in β ladder)trans-89.9118.9-175.1-64.6100.8000111.8R930 A931 Q934 A937W849-R930 VanDerWaalsContact O-CA 3.27Å; W849-R930 WeakPolarHBondContact O-CA 3.11Å; W849-A931 PolarHBondContact O-N 3.4Å; W849-Q934 HydrophobicContact CD2-CB 3.62Å; W849-Q934 HydrophobicContact CD2-CG 3.83Å; W849-Q934 HydrophobicContact CE3-CB 3.92Å; W849-Q934 HydrophobicContact CE3-CG 3.55Å; W849-Q934 HydrophobicContact CG-CB 4.01Å; W849-Q934 HydrophobicContact CH2-CB 4.34Å; W849-Q934 VanDerWaalsContact CH2-CD 3.44Å; W849-Q934 HydrophobicContact CH2-CG 4.09Å; W849-Q934 VanDerWaalsContact CH2-OE1 3.29Å; W849-Q934 HydrophobicContact CZ2-CB 4.09Å; W849-Q934 HydrophobicContact CZ2-CG 4.36Å; W849-Q934 HydrophobicContact CZ3-CB 4.26Å; W849-Q934 HydrophobicContact CZ3-CG 3.69Å; W849-A937 HydrophobicContact CB-CB 4.45Å
850E89.9Confident86.1Confident71 Ų7169.9 Ų69.933%0.33234%0.343SS..EExtended strand (participates in β ladder)trans-119.2130.4173.9-178.9176.3165.900110.7R928 I929 R930E850-R928 VanDerWaalsContact OE1-CD 3.29Å; E850-R928 WeakPolarHBondContact OE1-CD 3.38Å; E850-R928 WeakPolarHBondContact OE1-CG 3.4Å; E850-R928 IonicContact OE1-CZ 3.72Å; E850-R928 IonicContact OE1-NE 3.12Å; E850-R928 IonicContact OE1-NH1 3.93Å; E850-R928 PolarHBondContact OE1-NH1 3.2Å; E850-I929 CarbonylContact C-O 3.58Å; E850-I929 WeakPolarHBondContact CA-O 3.44Å; E850-R930 HydrophobicContact CB-CG 4Å; E850-R930 HydrophobicContact CG-CG 4.15Å; E850-R930 IonicContact OE2-CZ 2.7Å; E850-R930 VanDerWaalsContact OE2-CZ 3.31Å; E850-R930 IonicContact OE2-NE 3.29Å; E850-R930 PolarHBondContact OE2-NE 2.95Å; E850-R930 VanDerWaalsContact OE2-NE 3.16Å; E850-R930 IonicContact OE2-NH2 3.3Å; E850-R930 PolarHBondContact OE2-NH2 3.35Å
851N91.6Very high85.9Confident30 Ų3072.9 Ų72.916%0.1636%0.36CS..EExtended strand (participates in β ladder)trans-114.5128.2167.7-17311.4000109.9R928 I929 A937 L938N851-R928 CarbonylContact O-C 3.55Å; N851-R928 WeakPolarHBondContact O-CA 3.42Å; N851-I929 PolarHBondContact N-O 2.66Å; N851-I929 PolarHBondContact O-N 3.11Å; N851-A937 HydrophobicContact CB-CB 4.36Å; N851-A937 WeakPolarHBondContact CB-O 3.16Å; N851-A937 PolarHBondContact ND2-O 3.46Å; N851-L938 HydrophobicContact CB-CD2 4.37Å
852K91.7Very high85.9Confident104 Ų10466 Ų6645%0.45234%0.335SS..EExtended strand (participates in β ladder)trans-109.4111.7180-173.6-177.6176.5-169.40109.9H926 R928K852-H926 WeakPolarHBondContact CE-ND1 3.34Å; K852-H926 HydrophobicContact CG-CB 4.38Å; K852-R928 HydrophobicContact CG-CG 4.26Å
853V91.1Very high85.9Confident3 Ų363 Ų632%0.01832%0.323CS..EExtended strand (participates in β ladder)trans-99.8127178.6-178.70000110H926 I927 I929 I944 N945V853-H926 CarbonylContact O-C 3.34Å; V853-H926 VanDerWaalsContact O-CA 3.29Å; V853-H926 WeakPolarHBondContact O-CA 3.43Å; V853-I927 HydrophobicContact CB-CB 4.43Å; V853-I927 PolarHBondContact N-O 3.12Å; V853-I927 PolarHBondContact O-N 3.17Å; V853-I929 HydrophobicContact CG2-CD1 4.19Å; V853-I944 HydrophobicContact CG1-CG2 3.96Å; V853-N945 WeakPolarHBondContact CG1-OD1 3.49Å
854T89.5Confident85.7Confident72 Ų7267.1 Ų67.144%0.44234%0.342SS..EExtended strand (participates in β ladder)trans-77.5136.917148.30000110.4Q948T854-Q948 PolarHBondContact O-OE1 2.89Å
855V85.9Confident85.6Confident1 Ų164.9 Ų64.91%0.00633%0.334CS..EExtended strand (participates in β ladder)trans-93.2114177.4177.80000109.5T857 Y865 I911 G925 I927V855-T857 HydrophobicContact CG1-CG2 4.37Å; V855-Y865 HydrophobicContact CG1-CE1 3.81Å; V855-Y865 HydrophobicContact CG1-CE2 3.8Å; V855-Y865 VanDerWaalsContact CG1-OH 3.3Å; V855-Y865 WeakPolarHBondContact CG1-OH 3.48Å; V855-Y865 HydrophobicContact CG2-CE1 4.17Å; V855-Y865 WeakPolarHBondContact CG2-OH 3.24Å; V855-I911 HydrophobicContact CB-CG2 4.37Å; V855-I911 HydrophobicContact CG1-CG2 4.33Å; V855-I911 HydrophobicContact CG2-CG2 3.94Å; V855-G925 PolarHBondContact N-O 3.48Å; V855-I927 HydrophobicContact CG2-CD1 3.83Å; V855-I927 HydrophobicContact CG2-CG1 3.73Å
856N80.8Confident85.6Confident117 Ų11761.3 Ų61.363%0.62630%0.303SS*.EExtended strand (participates in β ladder)trans-129.1100.7172.7-71.5-24.1000108.8
857T78.9Confident85.5Confident7 Ų761.1 Ų61.14%0.04330%0.303CS..  trans-137.5163.7-178.462.70000112.9V855 I859 Y865 P922 Q948V855-T857 HydrophobicContact CG1-CG2 4.37Å; T857-I859 VanDerWaalsContact C-N 3.31Å; T857-Y865 HydrophobicContact CG2-CD2 3.92Å; T857-Y865 HydrophobicContact CG2-CE2 3.42Å; T857-Y865 VanDerWaalsContact CG2-CE2 3.42Å; T857-P922 WeakPolarHBondContact O-CB 3.43Å; T857-Q948 HydrophobicContact CG2-CB 3.86Å; T857-Q948 HydrophobicContact CG2-CG 3.67Å
858N78.8Confident85.4Confident106 Ų10662.9 Ų62.957%0.56731%0.311SS*.SBendtrans-87.3-1.5171.5-62.6-18000113.1T860 N952N858-T860 PolarHBondContact O-N 3.3Å; N858-N952 PolarHBondContact ND2-OD1 3.38Å
859I81.4Confident85.5Confident23 Ų2354.6 Ų54.612%0.11827%0.272CS..  trans-72.1129.3-179.5-56-174.7000108.4T857 D861 E864 Y865 H868 V923T857-I859 VanDerWaalsContact C-N 3.31Å; I859-D861 WeakPolarHBondContact CG2-O 3.46Å; I859-E864 HydrophobicContact CG2-CB 4.03Å; I859-E864 HydrophobicContact CG2-CG 4.11Å; I859-Y865 HydrophobicContact CD1-CD2 4.15Å; I859-H868 HydrophobicContact CD1-CB 4.21Å; I859-V923 VanDerWaalsContact O-CG2 3.31Å; I859-V923 WeakPolarHBondContact O-CG2 3.41Å; I859-V923 PolarHBondContact O-N 3.16Å
860T81.3Confident85.4Confident56 Ų5651.2 Ų51.234%0.34426%0.262SS..  trans-95.5-20.3-176.452.40000113.6N858 K913N858-T860 PolarHBondContact O-N 3.3Å; T860-K913 PolarHBondContact O-NZ 3.35Å
861D83.4Confident85.1Confident70 Ų7055.7 Ų55.737%0.37428%0.28SS..  trans-100.5135.5178.8-176.344.8000112.1I859 N863 E864 Y865I859-D861 WeakPolarHBondContact CG2-O 3.46Å; D861-N863 WeakPolarHBondContact OD2-CB 3.14Å; D861-N863 PolarHBondContact OD2-N 3.36Å; D861-E864 HydrophobicContact CB-CB 3.9Å; D861-E864 PolarHBondContact OD2-N 3.26Å; D861-Y865 PolarHBondContact O-N 3.26Å
862L84.2Confident84.7Confident21 Ų2155.8 Ų55.811%0.1128%0.284CS..Hα-helixtrans-69.2-42.7-177.5-66.6169.7000110.8Y865 L866 M891 I911 V923L862-Y865 PolarHBondContact O-N 3.03Å; L862-L866 PolarHBondContact O-N 3Å; L862-L866 VanDerWaalsContact O-N 3.07Å; L862-M891 HydrophobicContact CB-CB 4.49Å; L862-M891 HydrophobicContact CB-CE 3.95Å; L862-M891 HydrophobicContact CB-SD 4.27Å; L862-M891 HydrophobicContact CD1-CB 4.27Å; L862-M891 WeakPolarHBondContact O-CE 3.3Å; L862-I911 HydrophobicContact CB-CD1 4.24Å; L862-I911 HydrophobicContact CD2-CB 4.3Å; L862-I911 HydrophobicContact CD2-CD1 3.7Å; L862-I911 HydrophobicContact CD2-CG1 3.87Å; L862-V923 HydrophobicContact CD2-CB 4.4Å; L862-V923 HydrophobicContact CD2-CG1 3.73Å; L862-V923 HydrophobicContact CD2-CG2 3.76Å; L862-V923 HydrophobicContact CG-CG2 4.38Å
863N83.9Confident84.2Confident65 Ų6550.9 Ų50.935%0.34826%0.262SS..Hα-helixtrans-71-40.5-178.4-81.6-40.3000112D861 Y865 L866 Q867D861-N863 WeakPolarHBondContact OD2-CB 3.14Å; D861-N863 PolarHBondContact OD2-N 3.36Å; N863-Y865 VanDerWaalsContact C-N 3.33Å; N863-Y865 PolarHBondContact O-N 3.47Å; N863-L866 PolarHBondContact O-N 3.47Å; N863-Q867 WeakPolarHBondContact O-CG 3.33Å; N863-Q867 PolarHBondContact O-N 3.41Å
864E84.3Confident83.9Confident113 Ų11353.8 Ų53.853%0.52828%0.278SS..Hα-helixtrans-58.3-44.2172.9-170.7176.4-170.300111.9I859 D861 L866 Q867 H868I859-E864 HydrophobicContact CG2-CB 4.03Å; I859-E864 HydrophobicContact CG2-CG 4.11Å; D861-E864 HydrophobicContact CB-CB 3.9Å; D861-E864 PolarHBondContact OD2-N 3.26Å; E864-L866 PolarHBondContact O-N 3.34Å; E864-Q867 PolarHBondContact O-N 3.43Å; E864-H868 WeakPolarHBondContact O-CB 3.36Å; E864-H868 PolarHBondContact O-N 3.02Å
865Y86.6Confident83.7Confident0 Ų050.8 Ų50.80%026%0.259CS..Hα-helixtrans-61.9-42.5175.6179.9-97.9000112.2V855 T857 I859 D861 L862 N863 Q867 H868 I869 I911 I927 Q948V855-Y865 HydrophobicContact CG1-CE1 3.81Å; V855-Y865 HydrophobicContact CG1-CE2 3.8Å; V855-Y865 VanDerWaalsContact CG1-OH 3.3Å; V855-Y865 WeakPolarHBondContact CG1-OH 3.48Å; V855-Y865 HydrophobicContact CG2-CE1 4.17Å; V855-Y865 WeakPolarHBondContact CG2-OH 3.24Å; T857-Y865 HydrophobicContact CG2-CD2 3.92Å; T857-Y865 HydrophobicContact CG2-CE2 3.42Å; T857-Y865 VanDerWaalsContact CG2-CE2 3.42Å; I859-Y865 HydrophobicContact CD1-CD2 4.15Å; D861-Y865 PolarHBondContact O-N 3.26Å; L862-Y865 PolarHBondContact O-N 3.03Å; N863-Y865 VanDerWaalsContact C-N 3.33Å; N863-Y865 PolarHBondContact O-N 3.47Å; Y865-Q867 PolarHBondContact O-N 2.97Å; Y865-H868 WeakPolarHBondContact O-CB 3.3Å; Y865-H868 PolarHBondContact O-N 2.87Å; Y865-I869 HydrophobicContact CD1-CG1 4.25Å; Y865-I869 HydrophobicContact CE1-CD1 4.36Å; Y865-I869 HydrophobicContact CE1-CG1 3.72Å; Y865-I869 HydrophobicContact CE2-CD1 4.24Å; Y865-I869 HydrophobicContact CE2-CG1 4.16Å; Y865-I869 WeakPolarHBondContact O-CG1 3.29Å; Y865-I869 PolarHBondContact O-N 3.24Å; Y865-I911 HydrophobicContact CD1-CD1 3.62Å; Y865-I911 HydrophobicContact CD1-CG2 4.22Å; Y865-I911 HydrophobicContact CE1-CD1 4.38Å; Y865-I911 HydrophobicContact CE1-CG2 3.94Å; Y865-I911 HydrophobicContact CG-CD1 4.44Å; Y865-I927 HydrophobicContact CE1-CD1 4.25Å; Y865-I927 WeakPolarHBondContact OH-CD1 3.32Å; Y865-Q948 HydrophobicContact CE2-CG 4.39Å; Y865-Q948 PolarHBondContact OH-NE2 3.37Å; Y865-Q948 VanDerWaalsContact OH-NE2 3.14Å
866L86.6Confident83.8Confident6 Ų655.3 Ų55.33%0.03128%0.278CS..Hα-helixtrans-61.9-44.6176.3-179.864.1000111.7L862 N863 E864 H868 I869 L870 L884 M891 A893 L895L862-L866 PolarHBondContact O-N 3Å; L862-L866 VanDerWaalsContact O-N 3.07Å; N863-L866 PolarHBondContact O-N 3.47Å; E864-L866 PolarHBondContact O-N 3.34Å; L866-H868 VanDerWaalsContact C-N 3.32Å; L866-H868 PolarHBondContact O-N 2.79Å; L866-I869 PolarHBondContact O-N 2.88Å; L866-L870 HydrophobicContact CG-CD1 4.18Å; L866-L870 VanDerWaalsContact O-CG 3.26Å; L866-L870 WeakPolarHBondContact O-CG 3.41Å; L866-L870 PolarHBondContact O-N 3.13Å; L866-L884 HydrophobicContact CD2-CD1 3.88Å; L866-L884 HydrophobicContact CD2-CD2 4.34Å; L866-M891 HydrophobicContact CB-CE 3.71Å; L866-M891 HydrophobicContact CD2-CE 3.99Å; L866-M891 HydrophobicContact CD2-SD 4.34Å; L866-M891 HydrophobicContact CG-CE 4.36Å; L866-A893 HydrophobicContact CD1-CB 3.89Å; L866-A893 HydrophobicContact CD2-CB 4.13Å; L866-L895 HydrophobicContact CD1-CD2 4.2Å
867Q85Confident84.1Confident119 Ų11951.4 Ų51.456%0.55626%0.26SS*.Hα-helixtrans-63.5-37.8176.2-70.9-175700112.4N863 E864 Y865 L870 K871N863-Q867 WeakPolarHBondContact O-CG 3.33Å; N863-Q867 PolarHBondContact O-N 3.41Å; E864-Q867 PolarHBondContact O-N 3.43Å; Y865-Q867 PolarHBondContact O-N 2.97Å; Q867-L870 PolarHBondContact O-N 3.29Å; Q867-K871 WeakPolarHBondContact O-CG 3.48Å; Q867-K871 PolarHBondContact O-N 3.31Å
868H85.6Confident84.3Confident52 Ų5253.2 Ų53.224%0.24127%0.269CS..Hα-helixtrans-61.1-44174.3176.2-92.6000111.7I859 E864 Y865 L866 K871 S872 S947I859-H868 HydrophobicContact CD1-CB 4.21Å; E864-H868 WeakPolarHBondContact O-CB 3.36Å; E864-H868 PolarHBondContact O-N 3.02Å; Y865-H868 WeakPolarHBondContact O-CB 3.3Å; Y865-H868 PolarHBondContact O-N 2.87Å; L866-H868 VanDerWaalsContact C-N 3.32Å; L866-H868 PolarHBondContact O-N 2.79Å; H868-K871 PolarHBondContact O-N 3.21Å; H868-S872 WeakPolarHBondContact O-CB 3.22Å; H868-S872 PolarHBondContact O-N 3.42Å; H868-S872 PolarHBondContact O-OG 3.43Å; H868-S947 PolarHBondContact CE1-O 2.73Å
869I86.9Confident84.5Confident0 Ų049.6 Ų49.60%025%0.25CS..Hα-helixtrans-64.2-46.6175.3-67.7-63.4000111Y865 L866 K871 S872 T873 L895 I927 I944Y865-I869 HydrophobicContact CD1-CG1 4.25Å; Y865-I869 HydrophobicContact CE1-CD1 4.36Å; Y865-I869 HydrophobicContact CE1-CG1 3.72Å; Y865-I869 HydrophobicContact CE2-CD1 4.24Å; Y865-I869 HydrophobicContact CE2-CG1 4.16Å; Y865-I869 WeakPolarHBondContact O-CG1 3.29Å; Y865-I869 PolarHBondContact O-N 3.24Å; L866-I869 PolarHBondContact O-N 2.88Å; I869-K871 VanDerWaalsContact C-N 3.3Å; I869-K871 PolarHBondContact O-N 3.07Å; I869-S872 PolarHBondContact O-N 3.17Å; I869-T873 HydrophobicContact CG2-CG2 4.12Å; I869-T873 PolarHBondContact O-N 3.35Å; I869-T873 PolarHBondContact O-OG1 2.76Å; I869-L895 HydrophobicContact CG2-CD1 3.98Å; I869-I927 HydrophobicContact CD1-CD1 4.2Å; I869-I927 HydrophobicContact CG1-CD1 4.37Å; I869-I944 HydrophobicContact CD1-CG1 4.47Å; I869-I944 HydrophobicContact CD1-CG2 3.99Å
870L86.4Confident84.1Confident40 Ų4051 Ų5121%0.20926%0.261CS..Hα-helixtrans-58-41.5179-69169.2000112.4L866 Q867 S872 N874 M875 C877 L895L866-L870 HydrophobicContact CG-CD1 4.18Å; L866-L870 VanDerWaalsContact O-CG 3.26Å; L866-L870 WeakPolarHBondContact O-CG 3.41Å; L866-L870 PolarHBondContact O-N 3.13Å; Q867-L870 PolarHBondContact O-N 3.29Å; L870-S872 VanDerWaalsContact C-N 3.33Å; L870-N874 PolarHBondContact O-N 3.39Å; L870-M875 WeakPolarHBondContact CD2-O 3.45Å; L870-C877 HydrophobicContact CD1-CB 4.14Å; L870-C877 HydrophobicContact CD2-CB 3.99Å; L870-L895 HydrophobicContact CD2-CD1 4.33Å; L870-L895 HydrophobicContact CD2-CD2 3.58Å
871K83.8Confident83.5Confident165 Ų16554.9 Ų54.972%0.71728%0.275SS*.Hα-helixtrans-66.4-34.9174.4-73.5178.8-177.7176.90112.6Q867 H868 I869Q867-K871 WeakPolarHBondContact O-CG 3.48Å; Q867-K871 PolarHBondContact O-N 3.31Å; H868-K871 PolarHBondContact O-N 3.21Å; I869-K871 VanDerWaalsContact C-N 3.3Å; I869-K871 PolarHBondContact O-N 3.07Å
872S82.9Confident82.7Confident32 Ų3255.5 Ų55.522%0.22428%0.275CS..Hα-helixtrans-80.1-29.4-176.8-59.40000113.3H868 I869 L870H868-S872 WeakPolarHBondContact O-CB 3.22Å; H868-S872 PolarHBondContact O-N 3.42Å; H868-S872 PolarHBondContact O-OG 3.43Å; I869-S872 PolarHBondContact O-N 3.17Å; L870-S872 VanDerWaalsContact C-N 3.33Å
873T81.6Confident81.8Confident0 Ų058 Ų580%030%0.299CS..Hα-helixtrans-110.40.5-172.263.90000114.3M827 I869 M875 I944M827-T873 VanDerWaalsContact CE-CA 3.48Å; M827-T873 WeakPolarHBondContact CE-O 3.39Å; I869-T873 HydrophobicContact CG2-CG2 4.12Å; I869-T873 PolarHBondContact O-N 3.35Å; I869-T873 PolarHBondContact O-OG1 2.76Å; T873-M875 WeakPolarHBondContact O-CG 3.2Å; T873-M875 PolarHBondContact O-N 3.24Å; T873-I944 HydrophobicContact CG2-CD1 3.92Å; T873-I944 HydrophobicContact CG2-CG1 3.54Å
874N84Confident81.1Confident65 Ų6556 Ų5635%0.34829%0.288SS..  trans48.324-175.8-67.6-24.3000113.6M827 P832 L870M827-N874 HydrophobicContact CE-CB 3.78Å; P832-N874 VanDerWaalsContact CA-O 3.3Å; P832-N874 WeakPolarHBondContact CA-O 3.47Å; P832-N874 WeakPolarHBondContact CB-O 3.43Å; L870-N874 PolarHBondContact O-N 3.39Å
875M86.3Confident80.1Confident9 Ų954.6 Ų54.64%0.04429%0.29CS..PPolyproline II helixtrans-87.5151.5178.1-66.7-172.2163.200110.3L870 T873 L895 A897 A905 A907 L940L870-M875 WeakPolarHBondContact CD2-O 3.45Å; T873-M875 WeakPolarHBondContact O-CG 3.2Å; T873-M875 PolarHBondContact O-N 3.24Å; M875-L895 HydrophobicContact CB-CB 4.04Å; M875-L895 HydrophobicContact CB-CD1 4.49Å; M875-L895 HydrophobicContact SD-CB 3.91Å; M875-L895 HydrophobicContact SD-CD1 4.38Å; M875-A897 HydrophobicContact CB-CB 4.39Å; M875-A897 HydrophobicContact CE-CB 4.45Å; M875-A897 HydrophobicContact CG-CB 3.78Å; M875-A905 HydrophobicContact CE-CB 4.08Å; M875-A907 HydrophobicContact CE-CB 4.46Å; M875-A907 HydrophobicContact SD-CB 3.92Å; M875-L940 HydrophobicContact CE-CD1 3.58Å; M875-L940 HydrophobicContact CE-CD2 3.97Å; M875-L940 HydrophobicContact CE-CG 4.39Å
876K86.5Confident78.9Confident95 Ų9557.3 Ų57.341%0.41332%0.319SS..EExtended strand (participates in β ladder)trans-95.1134.7172-167.7170.2172.5-176.70109.5P832 A833 S834 L895 Y896P832-K876 HydrophobicContact CB-CB 4.4Å; A833-K876 WeakPolarHBondContact O-CB 3.38Å; S834-K876 PolarHBondContact OG-NZ 3.34Å; S834-K876 VanDerWaalsContact OG-NZ 3.13Å; K876-L895 WeakPolarHBondContact O-CA 3.41Å; K876-Y896 PolarHBondContact N-O 3.46Å; K876-Y896 PolarHBondContact O-N 2.93Å
877C87.4Confident77.7Confident35 Ų3567.6 Ų67.624%0.23636%0.364CS..EExtended strand (participates in β ladder)trans-75.6127.1171.3-166.40000110.1L870 L895L870-C877 HydrophobicContact CD1-CB 4.14Å; L870-C877 HydrophobicContact CD2-CB 3.99Å; C877-L895 HydrophobicContact CB-CD2 3.82Å
878L83.8Confident76.7Confident46 Ų4666 Ų6624%0.24136%0.364CS..  trans-92.7-24.3176.5-57.7-179.2000112.3C835 F840 N894C835-L878 VanDerWaalsContact SG-CD1 3.53Å; F840-L878 HydrophobicContact CB-CD1 4.4Å; F840-L878 HydrophobicContact CD2-CD1 3.58Å; F840-L878 HydrophobicContact CE2-CD1 4.24Å; F840-L878 HydrophobicContact CG-CD1 4.26Å; L878-N894 HydrophobicContact CB-CB 4.36Å; L878-N894 PolarHBondContact N-O 3.01Å
879T82.3Confident76.1Confident29 Ų2964.8 Ų64.818%0.17837%0.367CS..SBendtrans-70.5131.1180-56.20000110.3A883 L884 A893 N894T879-A883 HydrophobicContact CG2-CB 4.06Å; T879-L884 HydrophobicContact CG2-CD2 3.93Å; T879-L884 HydrophobicContact CG2-CG 3.99Å; T879-A893 WeakPolarHBondContact OG1-CA 3.28Å; T879-N894 PolarHBondContact OG1-N 3.2Å
880P73.4Confident76Confident53 Ų5369.6 Ų69.634%0.34439%0.388SS..  trans-62.2142.4-179.5-22.432000113.3E649 K882 A883 L884E649-P880 WeakPolarHBondContact OE1-CB 3.43Å; P880-K882 PolarHBondContact O-N 3.44Å; P880-K882 VanDerWaalsContact O-N 3.15Å; P880-A883 WeakPolarHBondContact O-CB 3.42Å; P880-A883 PolarHBondContact O-N 3.38Å; P880-L884 PolarHBondContact O-N 2.93Å
881E69.4Low75.9Confident137 Ų13768.4 Ų68.464%0.6438%0.381SS*.THydrogen-bonded Turntrans-55.6-33.1177.2-74.6175.817900112.2K656 L884 S885K656-E881 IonicContact NZ-OE1 4Å; K656-E881 PolarHBondContact NZ-OE1 3.34Å; K656-E881 VanDerWaalsContact NZ-OE1 3.07Å; K656-E881 IonicContact NZ-OE2 3.83Å; K656-E881 PolarHBondContact NZ-OE2 3.25Å; K656-E881 VanDerWaalsContact NZ-OE2 3.13Å; E881-L884 CarbonylContact O-C 3.54Å; E881-L884 PolarHBondContact O-N 3.47Å; E881-S885 WeakPolarHBondContact O-CB 3.35Å; E881-S885 PolarHBondContact O-N 3.23Å
882K66.3Low76.1Confident83 Ų8362.8 Ų62.836%0.36137%0.365SS..THydrogen-bonded Turntrans-67.4-35.9176-72.4-177.5178.2177.80112.8V645 E648 E649 P880 L884 S885V645-K882 HydrophobicContact CG1-CD 4.35Å; E648-K882 IonicContact OE2-NZ 3.87Å; E648-K882 PolarHBondContact OE2-NZ 3.26Å; E649-K882 HydrophobicContact CG-CD 4.5Å; P880-K882 PolarHBondContact O-N 3.44Å; P880-K882 VanDerWaalsContact O-N 3.15Å; K882-L884 VanDerWaalsContact C-N 3.27Å; K882-S885 WeakPolarHBondContact CA-OG 3.3Å; K882-S885 PolarHBondContact O-N 2.91Å; K882-S885 PolarHBondContact O-OG 3.4Å
883A66Low76.4Confident75 Ų7561.2 Ų61.262%0.6236%0.355SS*.THydrogen-bonded Turntrans-72.9-24.1175.600000112.2T879 P880 S885T879-A883 HydrophobicContact CG2-CB 4.06Å; P880-A883 WeakPolarHBondContact O-CB 3.42Å; P880-A883 PolarHBondContact O-N 3.38Å; A883-S885 VanDerWaalsContact C-N 3.34Å
884L68.2Low76.8Confident22 Ų2262.7 Ų62.712%0.11536%0.363CS..SBendtrans-86.1-9.5172-58.3168.8000112.2L866 T879 P880 E881 K882 M891 A893L866-L884 HydrophobicContact CD2-CD1 3.88Å; L866-L884 HydrophobicContact CD2-CD2 4.34Å; T879-L884 HydrophobicContact CG2-CD2 3.93Å; T879-L884 HydrophobicContact CG2-CG 3.99Å; P880-L884 PolarHBondContact O-N 2.93Å; E881-L884 CarbonylContact O-C 3.54Å; E881-L884 PolarHBondContact O-N 3.47Å; K882-L884 VanDerWaalsContact C-N 3.27Å; L884-M891 HydrophobicContact CD2-CG 3.72Å; L884-M891 HydrophobicContact CD2-SD 3.72Å; L884-A893 HydrophobicContact CD2-CB 4.14Å
885S62.7Low77.2Confident83 Ų8359.7 Ų59.758%0.5835%0.346SS*.  trans-86.9120.2178.977.50000110.7E881 K882 A883E881-S885 WeakPolarHBondContact O-CB 3.35Å; E881-S885 PolarHBondContact O-N 3.23Å; K882-S885 WeakPolarHBondContact CA-OG 3.3Å; K882-S885 PolarHBondContact O-N 2.91Å; K882-S885 PolarHBondContact O-OG 3.4Å; A883-S885 VanDerWaalsContact C-N 3.34Å
886G62.3Low77.4Confident58 Ų5859.5 Ų59.560%0.59835%0.345SS*.SBendtrans143.6155.9179.300000112C888G886-C888 PolarHBondContact O-N 3.15Å
887F61.7Low77.6Confident221 Ų22155 Ų5597%0.96933%0.325SS*.  trans-97.762.5174-68.7-82.5000109.9
888C62.9Low77.5Confident85 Ų8558.3 Ų58.357%0.57433%0.333SS*.  trans-89.4129.2155.7570000106.4G886 F890G886-C888 PolarHBondContact O-N 3.15Å; C888-F890 PolarHBondContact O-N 3.13Å; C888-F890 PolarHBondContact SG-O 3.46Å
889G73.3Confident77.4Confident28 Ų2856.4 Ų56.429%0.28932%0.324SS..SBendtrans-6521.917900000114.4E912 K913G889-E912 CarbonylContact O-C 3.5Å; G889-E912 WeakPolarHBondContact O-CA 3.44Å; G889-E912 WeakPolarHBondContact O-CB 3.39Å; G889-K913 PolarHBondContact O-N 3.49Å
890F84.1Confident77.1Confident101 Ų10157.2 Ų57.244%0.44333%0.326SS..EExtended strand (participates in β ladder)trans-145.8130.5-178.9179.2-87.8000109.2C888 A892 I911 E912C888-F890 PolarHBondContact O-N 3.13Å; C888-F890 PolarHBondContact SG-O 3.46Å; F890-A892 HydrophobicContact CE1-CB 3.98Å; F890-I911 CarbonylContact C-O 3.48Å; F890-I911 WeakPolarHBondContact CA-O 3.32Å; F890-E912 HydrophobicContact CB-CB 4.43Å; F890-E912 HydrophobicContact CD2-CB 3.87Å
891M85.3Confident77Confident15 Ų1557.3 Ų57.37%0.07432%0.321CS..EExtended strand (participates in β ladder)trans-130132.1178.8-176.1173.172.600110.7L862 L866 L884 I911L862-M891 HydrophobicContact CB-CB 4.49Å; L862-M891 HydrophobicContact CB-CE 3.95Å; L862-M891 HydrophobicContact CB-SD 4.27Å; L862-M891 HydrophobicContact CD1-CB 4.27Å; L862-M891 WeakPolarHBondContact O-CE 3.3Å; L866-M891 HydrophobicContact CB-CE 3.71Å; L866-M891 HydrophobicContact CD2-CE 3.99Å; L866-M891 HydrophobicContact CD2-SD 4.34Å; L866-M891 HydrophobicContact CG-CE 4.36Å; L884-M891 HydrophobicContact CD2-CG 3.72Å; L884-M891 HydrophobicContact CD2-SD 3.72Å; M891-I911 HydrophobicContact CB-CG1 4.08Å; M891-I911 HydrophobicContact CE-CD1 3.38Å; M891-I911 HydrophobicContact CE-CG1 3.96Å; M891-I911 PolarHBondContact N-O 3.48Å; M891-I911 PolarHBondContact O-N 3.43Å
892A87.9Confident77.2Confident46 Ų4653 Ų5338%0.3831%0.313SS..EExtended strand (participates in β ladder)trans-120.2124.3173.300000110.7F890 V909F890-A892 HydrophobicContact CE1-CB 3.98Å; A892-V909 CarbonylContact C-O 3.58Å; A892-V909 WeakPolarHBondContact CA-O 3.3Å
893A88.5Confident78Confident0 Ų051.5 Ų51.50%031%0.308CS..EExtended strand (participates in β ladder)trans-131.4133.6-179.600000112L866 T879 L884 V909L866-A893 HydrophobicContact CD1-CB 3.89Å; L866-A893 HydrophobicContact CD2-CB 4.13Å; T879-A893 WeakPolarHBondContact OG1-CA 3.28Å; L884-A893 HydrophobicContact CD2-CB 4.14Å; A893-V909 HydrophobicContact CB-CB 4.4Å; A893-V909 PolarHBondContact N-O 3.13Å; A893-V909 PolarHBondContact O-N 2.85Å
894N91.4Very high79.1Confident31 Ų3149.4 Ų49.417%0.16629%0.286CS..EExtended strand (participates in β ladder)trans-94131.2173.1-68.7-22.4000109.4F840 L878 T879 A907 N908F840-N894 HydrophobicContact CE1-CB 4.15Å; F840-N894 HydrophobicContact CE2-CB 4.06Å; F840-N894 HydrophobicContact CZ-CB 3.85Å; L878-N894 HydrophobicContact CB-CB 4.36Å; L878-N894 PolarHBondContact N-O 3.01Å; T879-N894 PolarHBondContact OG1-N 3.2Å; N894-A907 CarbonylContact C-O 3.39Å; N894-N908 PolarHBondContact OD1-ND2 2.86Å
895L90.6Very high80.1Confident1 Ų148.5 Ų48.51%0.00528%0.282CS..EExtended strand (participates in β ladder)trans-122.8146.7-179.2-52.1-174.9000110L866 I869 L870 M875 K876 C877 A907 V909L866-L895 HydrophobicContact CD1-CD2 4.2Å; I869-L895 HydrophobicContact CG2-CD1 3.98Å; L870-L895 HydrophobicContact CD2-CD1 4.33Å; L870-L895 HydrophobicContact CD2-CD2 3.58Å; M875-L895 HydrophobicContact CB-CB 4.04Å; M875-L895 HydrophobicContact CB-CD1 4.49Å; M875-L895 HydrophobicContact SD-CB 3.91Å; M875-L895 HydrophobicContact SD-CD1 4.38Å; K876-L895 WeakPolarHBondContact O-CA 3.41Å; C877-L895 HydrophobicContact CB-CD2 3.82Å; L895-A907 HydrophobicContact CB-CB 4.16Å; L895-A907 PolarHBondContact N-O 3.04Å; L895-A907 PolarHBondContact O-N 2.87Å; L895-V909 HydrophobicContact CD1-CG2 3.65Å; L895-V909 HydrophobicContact CG-CG2 4.06Å
896Y91.9Very high81.5Confident5 Ų544.5 Ų44.52%0.0225%0.254CS..EExtended strand (participates in β ladder)trans-144.5144.1179.3173.3-118.6000112.2A833 C835 M843 K876 R898 D904 A905 L906A833-Y896 VanDerWaalsContact C-CD1 3.45Å; A833-Y896 HydrophobicContact CB-CD1 3.88Å; A833-Y896 HydrophobicContact CB-CE1 3.45Å; A833-Y896 VanDerWaalsContact CB-CE1 3.45Å; A833-Y896 VanDerWaalsContact O-CD1 3.32Å; A833-Y896 WeakPolarHBondContact O-CD1 3.39Å; C835-Y896 HydrophobicContact CB-CD1 3.96Å; C835-Y896 HydrophobicContact CB-CE1 3.79Å; M843-Y896 HydrophobicContact CE-CE2 4.28Å; K876-Y896 PolarHBondContact N-O 3.46Å; K876-Y896 PolarHBondContact O-N 2.93Å; Y896-R898 PolarHBondContact OH-NE 3.37Å; Y896-R898 PolarHBondContact OH-NH2 3.24Å; Y896-D904 HydrophobicContact CE2-CB 3.98Å; Y896-D904 PolarHBondContact OH-OD1 3.46Å; Y896-A905 WeakPolarHBondContact CD2-O 3.4Å; Y896-L906 HydrophobicContact CD2-CD2 3.43Å; Y896-L906 VanDerWaalsContact CD2-CD2 3.43Å; Y896-L906 HydrophobicContact CD2-CG 4.49Å; Y896-L906 HydrophobicContact CE2-CD2 4.07Å; Y896-L906 HydrophobicContact CG-CD2 4.26Å
897A89.6Confident82.9Confident0 Ų041.8 Ų41.80%023%0.226CC..EExtended strand (participates in β ladder)trans-148.3164.8171.600000110.9I830 Q831 M875 A905I830-A897 HydrophobicContact CG2-CB 3.49Å; I830-A897 VanDerWaalsContact CG2-CB 3.49Å; Q831-A897 WeakPolarHBondContact O-CB 3.27Å; M875-A897 HydrophobicContact CB-CB 4.39Å; M875-A897 HydrophobicContact CE-CB 4.45Å; M875-A897 HydrophobicContact CG-CB 3.78Å; A897-A905 PolarHBondContact N-O 3Å; A897-A905 PolarHBondContact O-N 3.45Å
898R85.3Confident84.4Confident106 Ų10632.8 Ų32.840%0.419%0.188SC..EExtended strand (participates in β ladder)trans-130.2138.5176.5-177.9173.1-73.6-171.4-8.8109.9Q831 A833 Y896 E903 D904Q831-R898 PolarHBondContact N-O 3.2Å; Q831-R898 PolarHBondContact O-N 3.28Å; Q831-R898 VanDerWaalsContact O-O 3.1Å; A833-R898 HydrophobicContact CB-CB 3.83Å; Y896-R898 PolarHBondContact OH-NE 3.37Å; Y896-R898 PolarHBondContact OH-NH2 3.24Å; R898-E903 CarbonylContact C-O 3.55Å; R898-E903 WeakPolarHBondContact CA-O 3.32Å; R898-D904 IonicContact CZ-OD1 3.85Å; R898-D904 IonicContact NE-OD1 2.7Å; R898-D904 PolarHBondContact NE-OD1 2.89Å; R898-D904 IonicContact NH2-OD1 2.65Å; R898-D904 PolarHBondContact NH2-OD1 3.38Å; R898-D904 IonicContact NH2-OD2 3.01Å; R898-D904 PolarHBondContact NH2-OD2 2.82Å
899S83.3Confident85.7Confident6 Ų628.8 Ų28.84%0.04216%0.161CC..EExtended strand (participates in β ladder)trans-76.7158.7174.581.10000111.2Y829 F901 G902 E903Y829-S899 CarbonylContact O-C 3.58Å; Y829-S899 VanDerWaalsContact O-CA 3.25Å; Y829-S899 WeakPolarHBondContact O-CA 3.3Å; S899-F901 PolarHBondContact O-N 3Å; S899-F901 VanDerWaalsContact O-N 3.13Å; S899-F901 PolarHBondContact OG-N 3.13Å; S899-G902 PolarHBondContact O-N 3.35Å; S899-G902 PolarHBondContact OG-N 2.94Å; S899-E903 PolarHBondContact N-O 3.23Å; S899-E903 WeakPolarHBondContact OG-CB 3.46Å; S899-E903 PolarHBondContact OG-N 3.29Å
900I75.9Confident86.6Confident46 Ų4628.9 Ų28.924%0.23616%0.157CC..THydrogen-bonded Turntrans-60.3-19.7171.759.5165.5000113.1Q736 Y829 Q831 G902Q736-I900 HydrophobicContact CB-CD1 4.04Å; Q736-I900 HydrophobicContact CG-CD1 4.28Å; Q736-I900 WeakPolarHBondContact O-CD1 3.39Å; Y829-I900 HydrophobicContact CD1-CD1 3.59Å; Y829-I900 HydrophobicContact CD1-CG1 4.08Å; Y829-I900 HydrophobicContact CE1-CD1 4.33Å; Y829-I900 PolarHBondContact O-N 3.29Å; Q831-I900 HydrophobicContact CG-CG2 4.16Å; I900-G902 VanDerWaalsContact C-N 3.25Å
901F71.4Confident86.8Confident54 Ų5424.1 Ų24.124%0.23714%0.136CC..THydrogen-bonded Turntrans-85.50.5175.8-55.4-92.4000112.2Q736 Y737 V791 T794 Y829 S899Q736-F901 WeakPolarHBondContact O-CZ 3.41Å; Y737-F901 AromaticContact CD1-CD1 3.92Å; Y737-F901 HydrophobicContact CD1-CD1 3.92Å; Y737-F901 AromaticContact CD1-CE1 3.46Å; Y737-F901 HydrophobicContact CD1-CE1 3.46Å; Y737-F901 VanDerWaalsContact CD1-CE1 3.46Å; Y737-F901 AromaticContact CE1-CD1 3.54Å; Y737-F901 HydrophobicContact CE1-CD1 3.54Å; Y737-F901 AromaticContact CE1-CE1 3.59Å; Y737-F901 HydrophobicContact CE1-CE1 3.59Å; Y737-F901 HydrophobicContact CG-CE1 4.4Å; V791-F901 HydrophobicContact CB-CZ 4.29Å; V791-F901 HydrophobicContact CG1-CZ 3.91Å; T794-F901 HydrophobicContact CG2-CB 4.46Å; T794-F901 HydrophobicContact CG2-CD2 3.06Å; T794-F901 HydrophobicContact CG2-CE2 3.39Å; T794-F901 HydrophobicContact CG2-CG 3.99Å; Y829-F901 AromaticContact CD1-CE2 3.71Å; Y829-F901 HydrophobicContact CD1-CE2 3.71Å; Y829-F901 HydrophobicContact CD1-CZ 4.24Å; Y829-F901 HydrophobicContact CE1-CE2 4.27Å; Y829-F901 HydrophobicContact CE1-CZ 4.4Å; Y829-F901 AromaticContact CG-CE2 4Å; Y829-F901 HydrophobicContact CG-CE2 4Å; S899-F901 PolarHBondContact O-N 3Å; S899-F901 VanDerWaalsContact O-N 3.13Å; S899-F901 PolarHBondContact OG-N 3.13Å
902G72.9Confident86.9Confident46 Ų4627.9 Ų27.947%0.47415%0.154SC..SBendtrans83.110.1-179.700000114.5S899 I900S899-G902 PolarHBondContact O-N 3.35Å; S899-G902 PolarHBondContact OG-N 2.94Å; I900-G902 VanDerWaalsContact C-N 3.25Å
903E83.3Confident86.7Confident53 Ų5328.1 Ų28.125%0.24815%0.146CC..  trans-79.3136.8175.3-57.2-163.2163.800111.3T794 R898 S899 S933 M936T794-E903 PolarHBondContact OG1-OE2 3.19Å; R898-E903 CarbonylContact C-O 3.55Å; R898-E903 WeakPolarHBondContact CA-O 3.32Å; S899-E903 PolarHBondContact N-O 3.23Å; S899-E903 WeakPolarHBondContact OG-CB 3.46Å; S899-E903 PolarHBondContact OG-N 3.29Å; E903-S933 WeakPolarHBondContact OE2-CB 3.32Å; E903-S933 PolarHBondContact OE2-OG 3.41Å; E903-M936 HydrophobicContact CB-CE 4.5Å
904D88Confident86.2Confident31 Ų3128.8 Ų28.817%0.16615%0.151CC..EExtended strand (participates in β ladder)trans-94.5133.9-178.6-71.2-48.4000111.1M843 F847 Y896 R898M843-D904 HydrophobicContact SD-CB 4.4Å; F847-D904 HydrophobicContact CE2-CB 4.2Å; F847-D904 WeakPolarHBondContact CE2-O 3.5Å; F847-D904 HydrophobicContact CZ-CB 3.76Å; Y896-D904 HydrophobicContact CE2-CB 3.98Å; Y896-D904 PolarHBondContact OH-OD1 3.46Å; R898-D904 IonicContact CZ-OD1 3.85Å; R898-D904 IonicContact NE-OD1 2.7Å; R898-D904 PolarHBondContact NE-OD1 2.89Å; R898-D904 IonicContact NH2-OD1 2.65Å; R898-D904 PolarHBondContact NH2-OD1 3.38Å; R898-D904 IonicContact NH2-OD2 3.01Å; R898-D904 PolarHBondContact NH2-OD2 2.82Å
905A89.5Confident85.3Confident2 Ų233.9 Ų33.92%0.01718%0.176CC..EExtended strand (participates in β ladder)trans-125.1124.9177.700000110.8M875 Y896 A897 M936 L940M875-A905 HydrophobicContact CE-CB 4.08Å; Y896-A905 WeakPolarHBondContact CD2-O 3.4Å; A897-A905 PolarHBondContact N-O 3Å; A897-A905 PolarHBondContact O-N 3.45Å; A905-M936 HydrophobicContact CB-CG 4.16Å; A905-M936 HydrophobicContact CB-SD 4.4Å; A905-L940 HydrophobicContact CB-CD1 3.78Å
906L92.3Very high84.3Confident0 Ų041.4 Ų41.40%021%0.211CC..EExtended strand (participates in β ladder)trans-113.8142.2-178.1-54.7167000109.6F840 M843 W844 F847 Y896 I929 R930F840-L906 HydrophobicContact CD2-CD2 3.4Å; F840-L906 VanDerWaalsContact CD2-CD2 3.4Å; F840-L906 HydrophobicContact CD2-CG 4.41Å; F840-L906 HydrophobicContact CE2-CB 3.83Å; F840-L906 HydrophobicContact CE2-CD2 3.51Å; F840-L906 HydrophobicContact CE2-CG 4.15Å; F840-L906 HydrophobicContact CG-CD2 4.31Å; F840-L906 HydrophobicContact CZ-CB 4.19Å; F840-L906 HydrophobicContact CZ-CD2 4.49Å; M843-L906 HydrophobicContact CB-CD1 3.68Å; M843-L906 HydrophobicContact CE-CD2 4.03Å; W844-L906 HydrophobicContact CB-CD1 4.24Å; W844-L906 HydrophobicContact CE3-CB 3.76Å; W844-L906 HydrophobicContact CE3-CD1 4.05Å; W844-L906 HydrophobicContact CZ3-CB 3.85Å; F847-L906 HydrophobicContact CD2-CD1 3.59Å; F847-L906 HydrophobicContact CD2-CG 4.14Å; F847-L906 HydrophobicContact CE2-CD1 3.5Å; F847-L906 HydrophobicContact CE2-CG 3.76Å; F847-L906 HydrophobicContact CZ-CD1 4.37Å; Y896-L906 HydrophobicContact CD2-CD2 3.43Å; Y896-L906 VanDerWaalsContact CD2-CD2 3.43Å; Y896-L906 HydrophobicContact CD2-CG 4.49Å; Y896-L906 HydrophobicContact CE2-CD2 4.07Å; Y896-L906 HydrophobicContact CG-CD2 4.26Å; L906-I929 CarbonylContact O-C 3.57Å; L906-I929 WeakPolarHBondContact O-CA 3.47Å; L906-R930 PolarHBondContact N-O 3.26Å; L906-R930 PolarHBondContact O-N 3.23Å
907A91.9Very high83.2Confident1 Ų146.8 Ų46.81%0.00824%0.24CC..EExtended strand (participates in β ladder)trans-136.3141.8167.800000111.9M875 N894 L895 I927 R928 I929M875-A907 HydrophobicContact CE-CB 4.46Å; M875-A907 HydrophobicContact SD-CB 3.92Å; N894-A907 CarbonylContact C-O 3.39Å; L895-A907 HydrophobicContact CB-CB 4.16Å; L895-A907 PolarHBondContact N-O 3.04Å; L895-A907 PolarHBondContact O-N 2.87Å; A907-I927 HydrophobicContact CB-CG2 4.37Å; A907-R928 CarbonylContact C-O 3.49Å; A907-R928 VanDerWaalsContact CA-O 3.25Å; A907-R928 WeakPolarHBondContact CA-O 3.49Å; A907-I929 HydrophobicContact CB-CG1 4.14Å
908N92.8Very high82.3Confident32 Ų3248.2 Ų48.217%0.17125%0.254CS..EExtended strand (participates in β ladder)trans-115.7113.7170.9179.1-86.1000108.1W844 N894 S910 I927 R928W844-N908 HydrophobicContact CH2-CB 3.48Å; W844-N908 VanDerWaalsContact CH2-CB 3.48Å; W844-N908 HydrophobicContact CZ2-CB 4.03Å; W844-N908 HydrophobicContact CZ3-CB 4.01Å; N894-N908 PolarHBondContact OD1-ND2 2.86Å; N908-S910 PolarHBondContact OD1-OG 2.9Å; N908-S910 VanDerWaalsContact OD1-OG 3.07Å; N908-I927 CarbonylContact O-C 3.5Å; N908-I927 WeakPolarHBondContact O-CA 3.23Å; N908-R928 PolarHBondContact N-O 2.92Å; N908-R928 PolarHBondContact O-N 3.43Å
909V91.3Very high81.5Confident0 Ų048.1 Ų48.10%027%0.267CS..EExtended strand (participates in β ladder)trans-94.1116.8178.4178.90000107.6A892 A893 L895 I911 I927A892-V909 CarbonylContact C-O 3.58Å; A892-V909 WeakPolarHBondContact CA-O 3.3Å; A893-V909 HydrophobicContact CB-CB 4.4Å; A893-V909 PolarHBondContact N-O 3.13Å; A893-V909 PolarHBondContact O-N 2.85Å; L895-V909 HydrophobicContact CD1-CG2 3.65Å; L895-V909 HydrophobicContact CG-CG2 4.06Å; V909-I911 HydrophobicContact CG1-CD1 4.49Å; V909-I911 HydrophobicContact CG1-CG1 4.26Å; V909-I911 HydrophobicContact CG1-CG2 3.87Å; V909-I927 HydrophobicContact CB-CG1 4.33Å; V909-I927 HydrophobicContact CG1-CD1 4.49Å; V909-I927 HydrophobicContact CG1-CG1 4.07Å; V909-I927 HydrophobicContact CG2-CD1 4.38Å; V909-I927 HydrophobicContact CG2-CG1 4.09Å; V909-I927 HydrophobicContact CG2-CG2 4.1Å
910S90.6Very high80.8Confident31 Ų3154.3 Ų54.322%0.21730%0.3CS..EExtended strand (participates in β ladder)trans-120.3103.5174.4-68.80000108.9N908 G925 H926N908-S910 PolarHBondContact OD1-OG 2.9Å; N908-S910 VanDerWaalsContact OD1-OG 3.07Å; S910-G925 CarbonylContact O-C 3.55Å; S910-G925 WeakPolarHBondContact O-CA 3.22Å; S910-H926 CarbonylContact C-O 3.54Å; S910-H926 WeakPolarHBondContact CA-O 3.25Å; S910-H926 PolarHBondContact N-O 3.28Å; S910-H926 PolarHBondContact O-N 3.35Å
911I89.2Confident80.9Confident0 Ų052.4 Ų52.40%029%0.291CS..EExtended strand (participates in β ladder)trans-126.9148-174.555.3167.7000111.1V855 L862 Y865 F890 M891 V909 V923 T924V855-I911 HydrophobicContact CB-CG2 4.37Å; V855-I911 HydrophobicContact CG1-CG2 4.33Å; V855-I911 HydrophobicContact CG2-CG2 3.94Å; L862-I911 HydrophobicContact CB-CD1 4.24Å; L862-I911 HydrophobicContact CD2-CB 4.3Å; L862-I911 HydrophobicContact CD2-CD1 3.7Å; L862-I911 HydrophobicContact CD2-CG1 3.87Å; Y865-I911 HydrophobicContact CD1-CD1 3.62Å; Y865-I911 HydrophobicContact CD1-CG2 4.22Å; Y865-I911 HydrophobicContact CE1-CD1 4.38Å; Y865-I911 HydrophobicContact CE1-CG2 3.94Å; Y865-I911 HydrophobicContact CG-CD1 4.44Å; F890-I911 CarbonylContact C-O 3.48Å; F890-I911 WeakPolarHBondContact CA-O 3.32Å; M891-I911 HydrophobicContact CB-CG1 4.08Å; M891-I911 HydrophobicContact CE-CD1 3.38Å; M891-I911 HydrophobicContact CE-CG1 3.96Å; M891-I911 PolarHBondContact N-O 3.48Å; M891-I911 PolarHBondContact O-N 3.43Å; V909-I911 HydrophobicContact CG1-CD1 4.49Å; V909-I911 HydrophobicContact CG1-CG1 4.26Å; V909-I911 HydrophobicContact CG1-CG2 3.87Å; I911-V923 HydrophobicContact CB-CG1 3.72Å; I911-V923 HydrophobicContact CD1-CG1 3.9Å; I911-V923 HydrophobicContact CG1-CG1 4.32Å; I911-V923 HydrophobicContact CG2-CG1 4.17Å; I911-T924 CarbonylContact C-O 3.53Å
912E88.1Confident81.3Confident94 Ų9452.6 Ų52.644%0.43930%0.297SS..EExtended strand (participates in β ladder)trans-137.9151.5-178.672.1-177.7177.200111.1G889 F890 T924G889-E912 CarbonylContact O-C 3.5Å; G889-E912 WeakPolarHBondContact O-CA 3.44Å; G889-E912 WeakPolarHBondContact O-CB 3.39Å; F890-E912 HydrophobicContact CB-CB 4.43Å; F890-E912 HydrophobicContact CD2-CB 3.87Å; E912-T924 PolarHBondContact N-O 2.92Å; E912-T924 PolarHBondContact O-N 3.04Å; E912-T924 PolarHBondContact O-OG1 2.87Å
913K83.9Confident81.9Confident52 Ų5250.4 Ų50.423%0.22628%0.275CS..  trans-104.9110.4170.1-173.6168.8-173.4161.20107.6T860 G889 I915 P919T860-K913 PolarHBondContact O-NZ 3.35Å; G889-K913 PolarHBondContact O-N 3.49Å; K913-I915 WeakPolarHBondContact O-CG1 3.42Å; K913-I915 PolarHBondContact O-N 3.41Å; K913-P919 WeakPolarHBondContact CE-O 3.3Å; K913-P919 PolarHBondContact NZ-O 3.28Å
914P77.8Confident82Confident14 Ų1450 Ų509%0.09128%0.276CS..  trans-66.498.5179.921.4-27.5000110.3H916 L917 A921 T924P914-H916 WeakPolarHBondContact CB-CE1 3.31Å; P914-H916 PolarHBondContact O-N 2.86Å; P914-L917 HydrophobicContact CB-CD1 3.96Å; P914-L917 HydrophobicContact CG-CD1 3.86Å; P914-L917 PolarHBondContact O-N 3.05Å; P914-L917 VanDerWaalsContact O-N 3.09Å; P914-A921 HydrophobicContact CG-CB 4.21Å; P914-T924 HydrophobicContact CG-CG2 4.46Å
915I71.6Confident82.1Confident138 Ų13849.2 Ų49.271%0.70828%0.275SS*.G310 helixtrans-58.2-26.9-175.9-54.8173.1000111.6K913 L917K913-I915 WeakPolarHBondContact O-CG1 3.42Å; K913-I915 PolarHBondContact O-N 3.41Å; I915-L917 VanDerWaalsContact C-N 3.28Å; I915-L917 PolarHBondContact O-N 2.92Å
916H70.9Confident82.1Confident159 Ų15952.8 Ų52.874%0.73629%0.291SS*.G310 helixtrans-71-15.7-179.164.6-84.4000114.5P914P914-H916 WeakPolarHBondContact CB-CE1 3.31Å; P914-H916 PolarHBondContact O-N 2.86Å
917L67.8Low82.1Confident118 Ų11852.9 Ų52.962%0.61829%0.292SS*.G310 helixtrans-99.82.2-177.9-75.6159.9000113.7P914 I915 A921P914-L917 HydrophobicContact CB-CD1 3.96Å; P914-L917 HydrophobicContact CG-CD1 3.86Å; P914-L917 PolarHBondContact O-N 3.05Å; P914-L917 VanDerWaalsContact O-N 3.09Å; I915-L917 VanDerWaalsContact C-N 3.28Å; I915-L917 PolarHBondContact O-N 2.92Å; L917-A921 HydrophobicContact CB-CB 3.69Å
918G70.6Confident82.2Confident29 Ų2957.7 Ų57.730%0.29931%0.31SS..  trans97.7173.717900000114.7D920 A921G918-D920 VanDerWaalsContact C-N 3.27Å; G918-D920 PolarHBondContact O-N 2.88Å; G918-A921 VanDerWaalsContact O-CB 3.32Å; G918-A921 WeakPolarHBondContact O-CB 3.41Å; G918-A921 PolarHBondContact O-N 2.74Å
919P67.9Low82.2Confident104 Ų10456.2 Ų56.268%0.67530%0.302SS*.THydrogen-bonded Turntrans-69.8-19.7-175.526.3-32.5000114.2K913K913-P919 WeakPolarHBondContact CE-O 3.3Å; K913-P919 PolarHBondContact NZ-O 3.28Å
920D70.2Confident82.2Confident137 Ų13758.6 Ų58.673%0.73331%0.311SS*.THydrogen-bonded Turntrans-95.310.1177.6-58.5-34.6000112.7G918G918-D920 VanDerWaalsContact C-N 3.27Å; G918-D920 PolarHBondContact O-N 2.88Å
921A76.5Confident82.2Confident5 Ų557.1 Ų57.14%0.04130%0.301CS..PPolyproline II helixtrans-64.9133.2177.500000110.7P914 L917 G918P914-A921 HydrophobicContact CG-CB 4.21Å; L917-A921 HydrophobicContact CB-CB 3.69Å; G918-A921 VanDerWaalsContact O-CB 3.32Å; G918-A921 WeakPolarHBondContact O-CB 3.41Å; G918-A921 PolarHBondContact O-N 2.74Å
922P81.3Confident82Confident58 Ų5864.5 Ų64.538%0.37733%0.333SS..PPolyproline II helixtrans-65153.3177.724.8-32.3000111.7T857 T924T857-P922 WeakPolarHBondContact O-CB 3.43Å; P922-T924 PolarHBondContact O-N 3.16Å
923V84.4Confident81.8Confident0 Ų061 Ų610%032%0.318CS..PPolyproline II helixtrans-68.9127.4173.2174.70000110I859 L862 I911I859-V923 VanDerWaalsContact O-CG2 3.31Å; I859-V923 WeakPolarHBondContact O-CG2 3.41Å; I859-V923 PolarHBondContact O-N 3.16Å; L862-V923 HydrophobicContact CD2-CB 4.4Å; L862-V923 HydrophobicContact CD2-CG1 3.73Å; L862-V923 HydrophobicContact CD2-CG2 3.76Å; L862-V923 HydrophobicContact CG-CG2 4.38Å; I911-V923 HydrophobicContact CB-CG1 3.72Å; I911-V923 HydrophobicContact CD1-CG1 3.9Å; I911-V923 HydrophobicContact CG1-CG1 4.32Å; I911-V923 HydrophobicContact CG2-CG1 4.17Å
924T86.4Confident81.8Confident45 Ų4563 Ų6328%0.27633%0.329SS..EExtended strand (participates in β ladder)trans-119152.2178.355.60000110.6I911 E912 P914 P922I911-T924 CarbonylContact C-O 3.53Å; E912-T924 PolarHBondContact N-O 2.92Å; E912-T924 PolarHBondContact O-N 3.04Å; E912-T924 PolarHBondContact O-OG1 2.87Å; P914-T924 HydrophobicContact CG-CG2 4.46Å; P922-T924 PolarHBondContact O-N 3.16Å
925G88.3Confident81.9Confident14 Ų1463 Ų6314%0.14433%0.331CS..EExtended strand (participates in β ladder)trans160.9-157.5175.400000114.9V855 S910V855-G925 PolarHBondContact N-O 3.48Å; S910-G925 CarbonylContact O-C 3.55Å; S910-G925 WeakPolarHBondContact O-CA 3.22Å
926H91.4Very high82.5Confident78 Ų7856.5 Ų56.536%0.36130%0.298SS..EExtended strand (participates in β ladder)trans-139.7138.9-179.3-54-63.1000111.9K852 V853 S910K852-H926 WeakPolarHBondContact CE-ND1 3.34Å; K852-H926 HydrophobicContact CG-CB 4.38Å; V853-H926 CarbonylContact O-C 3.34Å; V853-H926 VanDerWaalsContact O-CA 3.29Å; V853-H926 WeakPolarHBondContact O-CA 3.43Å; S910-H926 CarbonylContact C-O 3.54Å; S910-H926 WeakPolarHBondContact CA-O 3.25Å; S910-H926 PolarHBondContact N-O 3.28Å; S910-H926 PolarHBondContact O-N 3.35Å
927I92.1Very high83.2Confident1 Ų149 Ų491%0.00526%0.263CS..EExtended strand (participates in β ladder)trans-109.9123.3169.1-58.5170000107.3V853 V855 Y865 I869 A907 N908 V909 I929 I944V853-I927 HydrophobicContact CB-CB 4.43Å; V853-I927 PolarHBondContact N-O 3.12Å; V853-I927 PolarHBondContact O-N 3.17Å; V855-I927 HydrophobicContact CG2-CD1 3.83Å; V855-I927 HydrophobicContact CG2-CG1 3.73Å; Y865-I927 HydrophobicContact CE1-CD1 4.25Å; Y865-I927 WeakPolarHBondContact OH-CD1 3.32Å; I869-I927 HydrophobicContact CD1-CD1 4.2Å; I869-I927 HydrophobicContact CG1-CD1 4.37Å; A907-I927 HydrophobicContact CB-CG2 4.37Å; N908-I927 CarbonylContact O-C 3.5Å; N908-I927 WeakPolarHBondContact O-CA 3.23Å; V909-I927 HydrophobicContact CB-CG1 4.33Å; V909-I927 HydrophobicContact CG1-CD1 4.49Å; V909-I927 HydrophobicContact CG1-CG1 4.07Å; V909-I927 HydrophobicContact CG2-CD1 4.38Å; V909-I927 HydrophobicContact CG2-CG1 4.09Å; V909-I927 HydrophobicContact CG2-CG2 4.1Å; I927-I929 HydrophobicContact CG2-CG1 4.02Å; I927-I944 HydrophobicContact CD1-CG2 3.82Å; I927-I944 HydrophobicContact CG2-CD1 4.34Å
928R93.3Very high84.1Confident103 Ų10347 Ų4739%0.38925%0.253SS..EExtended strand (participates in β ladder)trans-102.1128.7173.2-64.8173-175-127.814.6108.3W844 E850 N851 K852 A907 N908W844-R928 HydrophobicContact CH2-CB 3.92Å; W844-R928 WeakPolarHBondContact CH2-O 3.42Å; W844-R928 HydrophobicContact CZ2-CB 4.07Å; E850-R928 VanDerWaalsContact OE1-CD 3.29Å; E850-R928 WeakPolarHBondContact OE1-CD 3.38Å; E850-R928 WeakPolarHBondContact OE1-CG 3.4Å; E850-R928 IonicContact OE1-CZ 3.72Å; E850-R928 IonicContact OE1-NE 3.12Å; E850-R928 IonicContact OE1-NH1 3.93Å; E850-R928 PolarHBondContact OE1-NH1 3.2Å; N851-R928 CarbonylContact O-C 3.55Å; N851-R928 WeakPolarHBondContact O-CA 3.42Å; K852-R928 HydrophobicContact CG-CG 4.26Å; A907-R928 CarbonylContact C-O 3.49Å; A907-R928 VanDerWaalsContact CA-O 3.25Å; A907-R928 WeakPolarHBondContact CA-O 3.49Å; N908-R928 PolarHBondContact N-O 2.92Å; N908-R928 PolarHBondContact O-N 3.43Å
929I92.6Very high84.7Confident1 Ų146 Ų461%0.00524%0.241CC..EExtended strand (participates in β ladder)trans-118.8129.8-178.8-52.2166.9000106.7E850 N851 V853 L906 A907 I927 L940 G941 I944E850-I929 CarbonylContact C-O 3.58Å; E850-I929 WeakPolarHBondContact CA-O 3.44Å; N851-I929 PolarHBondContact N-O 2.66Å; N851-I929 PolarHBondContact O-N 3.11Å; V853-I929 HydrophobicContact CG2-CD1 4.19Å; L906-I929 CarbonylContact O-C 3.57Å; L906-I929 WeakPolarHBondContact O-CA 3.47Å; A907-I929 HydrophobicContact CB-CG1 4.14Å; I927-I929 HydrophobicContact CG2-CG1 4.02Å; I929-L940 HydrophobicContact CD1-CB 4.14Å; I929-L940 HydrophobicContact CG2-CB 4.19Å; I929-L940 HydrophobicContact CG2-CD1 4.13Å; I929-G941 VanDerWaalsContact CD1-CA 3.47Å; I929-I944 HydrophobicContact CD1-CD1 3.53Å; I929-I944 HydrophobicContact CG1-CD1 4.35Å
930R92.1Very high85.6Confident50 Ų5041 Ų4119%0.18921%0.209CC..EExtended strand (participates in β ladder)trans-124.1136.6175-68.8-165.6174.9-159-6.4110.4W844 F847 W849 E850 L906W844-R930 HydrophobicContact CD2-CG 4.36Å; W844-R930 HydrophobicContact CE3-CB 4.27Å; W844-R930 HydrophobicContact CE3-CG 4.34Å; W844-R930 HydrophobicContact CH2-CG 4.05Å; W844-R930 HydrophobicContact CZ2-CG 4.07Å; W844-R930 HydrophobicContact CZ3-CB 4.21Å; W844-R930 HydrophobicContact CZ3-CG 4.19Å; W844-R930 WeakPolarHBondContact O-CD 3.48Å; W844-R930 PolarHBondContact O-NH1 3.23Å; F847-R930 HydrophobicContact CB-CB 4.04Å; F847-R930 HydrophobicContact CD2-CB 4.16Å; W849-R930 VanDerWaalsContact O-CA 3.27Å; W849-R930 WeakPolarHBondContact O-CA 3.11Å; E850-R930 HydrophobicContact CB-CG 4Å; E850-R930 HydrophobicContact CG-CG 4.15Å; E850-R930 IonicContact OE2-CZ 2.7Å; E850-R930 VanDerWaalsContact OE2-CZ 3.31Å; E850-R930 IonicContact OE2-NE 3.29Å; E850-R930 PolarHBondContact OE2-NE 2.95Å; E850-R930 VanDerWaalsContact OE2-NE 3.16Å; E850-R930 IonicContact OE2-NH2 3.3Å; E850-R930 PolarHBondContact OE2-NH2 3.35Å; L906-R930 PolarHBondContact N-O 3.26Å; L906-R930 PolarHBondContact O-N 3.23Å
931A89.3Confident86.3Confident0 Ų034.5 Ų34.50%017%0.174CC..EExtended strand (participates in β ladder)trans-146.5164.8175.900000109.8W849 M936 A937W849-A931 PolarHBondContact O-N 3.4Å; A931-M936 HydrophobicContact CB-CB 3.91Å; A931-M936 HydrophobicContact CB-CG 3.74Å; A931-A937 HydrophobicContact CB-CB 4.14Å
932K85.1Confident86.8Confident155 Ų15538.1 Ų38.167%0.67419%0.193SC*.SBendtrans-69.8-35.9175-168.6173.8-177.3174.30112.2F847F847-K932 HydrophobicContact CE1-CB 4.47Å
933S83.8Confident86.9Confident20 Ų2037.5 Ų37.514%0.1418%0.184CC..SBendtrans-100.2138.117859.20000111.3E903 G935 M936 A937E903-S933 WeakPolarHBondContact OE2-CB 3.32Å; E903-S933 PolarHBondContact OE2-OG 3.41Å; S933-G935 VanDerWaalsContact C-N 3.33Å; S933-G935 PolarHBondContact O-N 3.43Å; S933-M936 PolarHBondContact O-N 3.31Å; S933-M936 WeakPolarHBondContact OG-CB 3.29Å; S933-A937 PolarHBondContact O-N 2.65Å
934Q84.9Confident86.9Confident94 Ų9437.6 Ų37.644%0.43919%0.185SC..Hα-helixtrans-61.5-42.9177.5-174179.47.800111.5W849 M936 A937 L938W849-Q934 HydrophobicContact CD2-CB 3.62Å; W849-Q934 HydrophobicContact CD2-CG 3.83Å; W849-Q934 HydrophobicContact CE3-CB 3.92Å; W849-Q934 HydrophobicContact CE3-CG 3.55Å; W849-Q934 HydrophobicContact CG-CB 4.01Å; W849-Q934 HydrophobicContact CH2-CB 4.34Å; W849-Q934 VanDerWaalsContact CH2-CD 3.44Å; W849-Q934 HydrophobicContact CH2-CG 4.09Å; W849-Q934 VanDerWaalsContact CH2-OE1 3.29Å; W849-Q934 HydrophobicContact CZ2-CB 4.09Å; W849-Q934 HydrophobicContact CZ2-CG 4.36Å; W849-Q934 HydrophobicContact CZ3-CB 4.26Å; W849-Q934 HydrophobicContact CZ3-CG 3.69Å; Q934-M936 VanDerWaalsContact C-N 3.32Å; Q934-M936 PolarHBondContact O-N 3Å; Q934-A937 PolarHBondContact O-N 2.74Å; Q934-L938 HydrophobicContact CG-CD1 3.88Å; Q934-L938 HydrophobicContact CG-CG 4.37Å; Q934-L938 PolarHBondContact O-N 3.34Å
935G80.4Confident86.9Confident14 Ų1438.1 Ų38.114%0.14419%0.186CC..Hα-helixtrans-57.5-42.5-179.700000112.6S933 S939S933-G935 VanDerWaalsContact C-N 3.33Å; S933-G935 PolarHBondContact O-N 3.43Å; G935-S939 WeakPolarHBondContact O-CB 3.19Å; G935-S939 PolarHBondContact O-N 3.08Å; G935-S939 PolarHBondContact O-OG 3.35Å
936M83.3Confident86.6Confident1 Ų142 Ų421%0.00520%0.203CC..Hα-helixtrans-63.8-48176.9-179.670.771.300112.2T794 I826 I830 E903 A905 A931 S933 Q934 L938 L940T794-M936 HydrophobicContact CG2-CE 3.94Å; T794-M936 WeakPolarHBondContact OG1-CE 3.46Å; I826-M936 HydrophobicContact CD1-CB 4.43Å; I826-M936 HydrophobicContact CD1-CE 4.07Å; I826-M936 HydrophobicContact CD1-CG 4.46Å; I826-M936 HydrophobicContact CD1-SD 3.38Å; I826-M936 WeakPolarHBondContact CD1-SD 3.47Å; I826-M936 HydrophobicContact CG1-SD 4.16Å; I830-M936 HydrophobicContact CD1-SD 3.77Å; I830-M936 HydrophobicContact CG1-SD 4.25Å; E903-M936 HydrophobicContact CB-CE 4.5Å; A905-M936 HydrophobicContact CB-CG 4.16Å; A905-M936 HydrophobicContact CB-SD 4.4Å; A931-M936 HydrophobicContact CB-CB 3.91Å; A931-M936 HydrophobicContact CB-CG 3.74Å; S933-M936 PolarHBondContact O-N 3.31Å; S933-M936 WeakPolarHBondContact OG-CB 3.29Å; Q934-M936 VanDerWaalsContact C-N 3.32Å; Q934-M936 PolarHBondContact O-N 3Å; M936-L938 PolarHBondContact O-N 2.92Å; M936-L940 HydrophobicContact CG-CD1 4Å; M936-L940 WeakPolarHBondContact O-CB 3.47Å; M936-L940 PolarHBondContact O-N 3.17Å; M936-L940 HydrophobicContact SD-CD1 3.87Å; M936-L940 HydrophobicContact SD-CG 4.32Å
937A85.9Confident86.1Confident2 Ų238.8 Ų38.82%0.01719%0.189CC..Hα-helixtrans-64.5-39.2-178.300000112.5W849 N851 A931 S933 Q934 G941W849-A937 HydrophobicContact CB-CB 4.45Å; N851-A937 HydrophobicContact CB-CB 4.36Å; N851-A937 WeakPolarHBondContact CB-O 3.16Å; N851-A937 PolarHBondContact ND2-O 3.46Å; A931-A937 HydrophobicContact CB-CB 4.14Å; S933-A937 PolarHBondContact O-N 2.65Å; Q934-A937 PolarHBondContact O-N 2.74Å; A937-G941 PolarHBondContact O-N 2.9Å
938L86.9Confident85.4Confident75 Ų7539.1 Ų39.139%0.39319%0.191SC..Hα-helixtrans-71.2-50.7176.5-68.5177.7000111.6N851 Q934 M936 L940 G941 D942N851-L938 HydrophobicContact CB-CD2 4.37Å; Q934-L938 HydrophobicContact CG-CD1 3.88Å; Q934-L938 HydrophobicContact CG-CG 4.37Å; Q934-L938 PolarHBondContact O-N 3.34Å; M936-L938 PolarHBondContact O-N 2.92Å; L938-L940 VanDerWaalsContact C-N 3.35Å; L938-L940 PolarHBondContact O-N 3.46Å; L938-G941 WeakPolarHBondContact O-CA 3.29Å; L938-G941 PolarHBondContact O-N 2.94Å; L938-D942 PolarHBondContact O-N 3.39Å
939S83.5Confident84.2Confident8 Ų841.1 Ų41.16%0.05620%0.202CC..Hα-helixtrans-60.2-41.4-177-60.80000112.7N796 G935 G941 D942 K943N796-S939 PolarHBondContact N-OG 3.33Å; N796-S939 WeakPolarHBondContact ND2-CB 3.4Å; G935-S939 WeakPolarHBondContact O-CB 3.19Å; G935-S939 PolarHBondContact O-N 3.08Å; G935-S939 PolarHBondContact O-OG 3.35Å; S939-G941 VanDerWaalsContact C-N 3.33Å; S939-D942 PolarHBondContact O-N 3.42Å; S939-K943 PolarHBondContact O-N 2.98Å
940L85.3Confident82.6Confident0 Ų048.9 Ų48.90%024%0.236CC..Hα-helixtrans-62.9-40.3173.5-85.8168.5000112.1M827 I830 M875 A905 I929 M936 L938 K943 I944M827-L940 HydrophobicContact SD-CD2 4.28Å; I830-L940 HydrophobicContact CD1-CD1 4.12Å; I830-L940 HydrophobicContact CD1-CD2 3.49Å; I830-L940 VanDerWaalsContact CD1-CD2 3.49Å; I830-L940 HydrophobicContact CD1-CG 3.87Å; M875-L940 HydrophobicContact CE-CD1 3.58Å; M875-L940 HydrophobicContact CE-CD2 3.97Å; M875-L940 HydrophobicContact CE-CG 4.39Å; A905-L940 HydrophobicContact CB-CD1 3.78Å; I929-L940 HydrophobicContact CD1-CB 4.14Å; I929-L940 HydrophobicContact CG2-CB 4.19Å; I929-L940 HydrophobicContact CG2-CD1 4.13Å; M936-L940 HydrophobicContact CG-CD1 4Å; M936-L940 WeakPolarHBondContact O-CB 3.47Å; M936-L940 PolarHBondContact O-N 3.17Å; M936-L940 HydrophobicContact SD-CD1 3.87Å; M936-L940 HydrophobicContact SD-CG 4.32Å; L938-L940 VanDerWaalsContact C-N 3.35Å; L938-L940 PolarHBondContact O-N 3.46Å; L940-K943 PolarHBondContact O-N 2.94Å; L940-I944 WeakPolarHBondContact O-CG1 3.49Å; L940-I944 PolarHBondContact O-N 3.35Å
941G86.6Confident80.6Confident0 Ų048.2 Ų48.20%024%0.241CC..Hα-helixtrans-66.8-40.1177.900000112.9I929 A937 L938 S939 I944 N945I929-G941 VanDerWaalsContact CD1-CA 3.47Å; A937-G941 PolarHBondContact O-N 2.9Å; L938-G941 WeakPolarHBondContact O-CA 3.29Å; L938-G941 PolarHBondContact O-N 2.94Å; S939-G941 VanDerWaalsContact C-N 3.33Å; G941-I944 PolarHBondContact O-N 3.4Å; G941-N945 PolarHBondContact O-N 3.4Å; G941-N945 PolarHBondContact O-ND2 2.97Å
942D85.4Confident78.2Confident82 Ų8252.5 Ų52.544%0.43926%0.264SS..Hα-helixtrans-64.3-40.5174.6-71-21.9000111.6L938 S939 I944 N945 L946L938-D942 PolarHBondContact O-N 3.39Å; S939-D942 PolarHBondContact O-N 3.42Å; D942-I944 VanDerWaalsContact C-N 3.34Å; D942-I944 PolarHBondContact O-N 2.95Å; D942-N945 WeakPolarHBondContact O-CB 3.49Å; D942-N945 PolarHBondContact O-N 3.25Å; D942-L946 WeakPolarHBondContact O-CB 3.49Å; D942-L946 WeakPolarHBondContact O-CG 3.49Å; D942-L946 PolarHBondContact O-N 2.87Å
943K83.9Confident75.7Confident44 Ų4455.3 Ų55.319%0.19128%0.284CS..Hα-helixtrans-63.4-40.9175.2-164.463.8164.8-166.20112D825 M827 S939 L940 L946 S947D825-K943 IonicContact OD1-NZ 3.48Å; D825-K943 PolarHBondContact OD1-NZ 2.7Å; D825-K943 IonicContact OD2-NZ 2.71Å; D825-K943 PolarHBondContact OD2-NZ 2.97Å; M827-K943 HydrophobicContact CG-CD 4.33Å; M827-K943 HydrophobicContact CG-CG 3.96Å; M827-K943 HydrophobicContact SD-CG 4.24Å; S939-K943 PolarHBondContact O-N 2.98Å; L940-K943 PolarHBondContact O-N 2.94Å; K943-L946 PolarHBondContact O-N 3.35Å; K943-S947 WeakPolarHBondContact O-CB 3.1Å; K943-S947 PolarHBondContact O-N 2.84Å
944I85.7Confident75.3Confident2 Ų257.1 Ų57.11%0.0129%0.291CS..Hα-helixtrans-61.9-47174.3-73.4162.2000110.2V853 I869 T873 I927 I929 L940 G941 D942 L946 S947 Q948V853-I944 HydrophobicContact CG1-CG2 3.96Å; I869-I944 HydrophobicContact CD1-CG1 4.47Å; I869-I944 HydrophobicContact CD1-CG2 3.99Å; T873-I944 HydrophobicContact CG2-CD1 3.92Å; T873-I944 HydrophobicContact CG2-CG1 3.54Å; I927-I944 HydrophobicContact CD1-CG2 3.82Å; I927-I944 HydrophobicContact CG2-CD1 4.34Å; I929-I944 HydrophobicContact CD1-CD1 3.53Å; I929-I944 HydrophobicContact CG1-CD1 4.35Å; L940-I944 WeakPolarHBondContact O-CG1 3.49Å; L940-I944 PolarHBondContact O-N 3.35Å; G941-I944 PolarHBondContact O-N 3.4Å; D942-I944 VanDerWaalsContact C-N 3.34Å; D942-I944 PolarHBondContact O-N 2.95Å; I944-L946 VanDerWaalsContact C-N 3.32Å; I944-L946 PolarHBondContact O-N 2.96Å; I944-S947 PolarHBondContact O-N 3.05Å; I944-S947 PolarHBondContact O-OG 3.46Å; I944-Q948 WeakPolarHBondContact O-CG 2.93Å; I944-Q948 PolarHBondContact O-N 3.15Å
945N86.1Confident74.8Confident56 Ų5655.1 Ų55.130%0.29928%0.283SS..Hα-helixtrans-57.9-41.9175.2-82.8-38.2000112.7V853 G941 D942 Q948 K949V853-N945 WeakPolarHBondContact CG1-OD1 3.49Å; G941-N945 PolarHBondContact O-N 3.4Å; G941-N945 PolarHBondContact O-ND2 2.97Å; D942-N945 WeakPolarHBondContact O-CB 3.49Å; D942-N945 PolarHBondContact O-N 3.25Å; N945-Q948 PolarHBondContact O-N 3.4Å; N945-K949 PolarHBondContact O-N 3.4Å
946L82.3Confident74.5Confident96 Ų9657.4 Ų57.450%0.50329%0.291SS..Hα-helixtrans-66.1-41.2176.3-73.2167.5000111.9D942 K943 I944 Q948 K949 K950D942-L946 WeakPolarHBondContact O-CB 3.49Å; D942-L946 WeakPolarHBondContact O-CG 3.49Å; D942-L946 PolarHBondContact O-N 2.87Å; K943-L946 PolarHBondContact O-N 3.35Å; I944-L946 VanDerWaalsContact C-N 3.32Å; I944-L946 PolarHBondContact O-N 2.96Å; L946-Q948 VanDerWaalsContact C-N 3.32Å; L946-Q948 PolarHBondContact O-N 3.04Å; L946-K949 PolarHBondContact O-N 3.45Å; L946-K950 PolarHBondContact O-N 3.34Å
947S80Confident74Confident11 Ų1160.7 Ų60.78%0.07731%0.308CS..Hα-helixtrans-63.5-37.8177.775.20000111.9H868 K943 I944 K949 K950H868-S947 PolarHBondContact CE1-O 2.73Å; K943-S947 WeakPolarHBondContact O-CB 3.1Å; K943-S947 PolarHBondContact O-N 2.84Å; I944-S947 PolarHBondContact O-N 3.05Å; I944-S947 PolarHBondContact O-OG 3.46Å; S947-K949 VanDerWaalsContact C-N 3.3Å; S947-K949 PolarHBondContact O-N 3.13Å; S947-K950 PolarHBondContact O-N 2.87Å
948Q77.2Confident73.3Confident8 Ų864.4 Ų64.44%0.03733%0.326CS..Hα-helixtrans-63.8-35176.4-70.5178.328.300112.1T854 T857 Y865 I944 N945 L946T854-Q948 PolarHBondContact O-OE1 2.89Å; T857-Q948 HydrophobicContact CG2-CB 3.86Å; T857-Q948 HydrophobicContact CG2-CG 3.67Å; Y865-Q948 HydrophobicContact CE2-CG 4.39Å; Y865-Q948 PolarHBondContact OH-NE2 3.37Å; Y865-Q948 VanDerWaalsContact OH-NE2 3.14Å; I944-Q948 WeakPolarHBondContact O-CG 2.93Å; I944-Q948 PolarHBondContact O-N 3.15Å; N945-Q948 PolarHBondContact O-N 3.4Å; L946-Q948 VanDerWaalsContact C-N 3.32Å; L946-Q948 PolarHBondContact O-N 3.04Å
949K69.3Low72.3Confident145 Ų14563.7 Ų63.763%0.6332%0.322SS*.Hα-helixtrans-74.5-32177.9-69.7180-177178.20113.5N945 L946 S947 A951 N952N945-K949 PolarHBondContact O-N 3.4Å; L946-K949 PolarHBondContact O-N 3.45Å; S947-K949 VanDerWaalsContact C-N 3.3Å; S947-K949 PolarHBondContact O-N 3.13Å; K949-A951 PolarHBondContact O-N 2.93Å; K949-N952 WeakPolarHBondContact O-CB 3.48Å; K949-N952 PolarHBondContact O-N 3.08Å; K949-N952 VanDerWaalsContact O-N 3.14Å
950K58.4Low71.5Confident164 Ų16467.6 Ų67.671%0.71334%0.341SS*.Hα-helixtrans-67.3-22179.7-80.7-173176-175.90113.4L946 S947 N952L946-K950 PolarHBondContact O-N 3.34Å; S947-K950 PolarHBondContact O-N 2.87Å; K950-N952 PolarHBondContact O-N 2.9Å
951A50.3Low70.5Confident35 Ų3572.8 Ų72.829%0.28937%0.367SS..THydrogen-bonded Turntrans-74.7-0.417300000114K949K949-A951 PolarHBondContact O-N 2.93Å
952N38.8Very low69.1Low91 Ų9178.9 Ų78.949%0.48740%0.397SS..THydrogen-bonded Turntrans-93.23.5176.9-70.3-20.8000114.1N858 K949 K950N858-N952 PolarHBondContact ND2-OD1 3.38Å; K949-N952 WeakPolarHBondContact O-CB 3.48Å; K949-N952 PolarHBondContact O-N 3.08Å; K949-N952 VanDerWaalsContact O-N 3.14Å; K950-N952 PolarHBondContact O-N 2.9Å
953I32.4Very low67.7Low213 Ų21378.6 Ų78.6100%1.09239%0.394SS*.  trans-117.60172.6-54.2173.4000106.9

Retrieved 953 of 953 residues in 617.2 ms (Link to these results)

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