A0A3Q0KTE4_SCHMA Loading...

Cation efflux protein/ zinc transporter,putative

AlphaFold DB , UniProt , Accession A0A3Q0KTE4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 367 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
1M44.5Very low46.8Very low248 Ų248140.1 Ų140.1100%1.22269%0.694SS**  080.40-148.9136.2103.100106.6
2N44.9Very low47.1Very low138 Ų138143.1 Ų143.174%0.73869%0.694SS**  trans-150.666.8-160.8-156.523.2000108.5
3K49.1Very low48.1Very low180 Ų180140 Ų14078%0.78368%0.678SS**  trans-141.35.2-172.8-87.4-168.6175-175.80115.7
4N49.3Very low49.1Very low137 Ų137138.5 Ų138.573%0.73367%0.669SS**SBendtrans-110.3-2.5-177.5-91.37.7000115.1
5T48.2Very low49.9Very low91 Ų91137.5 Ų137.556%0.55866%0.663SS**SBendtrans-84.6-23.6174.243.40000112.7N7 H9T5-N7 PolarHBondContact O-N 2.76Å; T5-H9 PolarHBondContact O-N 3.12Å
6D46.6Very low51.1Low102 Ų102138 Ų13855%0.54566%0.661SS.*Hα-helixtrans-77.1-27.9-170.8-56.5-14.3000112.4H9 Y10D6-H9 PolarHBondContact O-N 3.29Å; D6-Y10 PolarHBondContact O-N 2.7Å; D6-Y10 VanDerWaalsContact O-N 3.08Å
7N48.6Very low52.3Low128 Ų128135.9 Ų135.968%0.68465%0.654SS**Hα-helixtrans-77.4-29179.6-78.4-16.5000114T5 G11T5-N7 PolarHBondContact O-N 2.76Å; N7-G11 PolarHBondContact O-N 3.04Å
8Y40.3Very low53.2Low199 Ų199135.6 Ų135.678%0.7865%0.652SS**Hα-helixtrans-75.2-32.3172.5-81-81.5000111.4Y12Y8-Y12 PolarHBondContact O-N 2.56Å
9H45.7Very low54Low120 Ų120132.7 Ų132.756%0.55664%0.643SS**Hα-helixtrans-72.2-35.2177.6-139.5-40.6000112.2T5 D6 Y12 E13T5-H9 PolarHBondContact O-N 3.12Å; D6-H9 PolarHBondContact O-N 3.29Å; H9-Y12 PolarHBondContact O-N 2.77Å; H9-E13 IonicContact CE1-OE1 3.58Å; H9-E13 IonicContact ND1-OE1 2.57Å; H9-E13 PolarHBondContact O-N 2.94Å
10Y47.8Very low55.1Low157 Ų157131.5 Ų131.562%0.61664%0.636SS**Hα-helixtrans-68.2-37.8178.4-137.3-94.5000113.2D6 Q14D6-Y10 PolarHBondContact O-N 2.7Å; D6-Y10 VanDerWaalsContact O-N 3.08Å; Y10-Q14 PolarHBondContact O-N 2.89Å; Y10-Q14 VanDerWaalsContact O-N 3.12Å
11G50.3Low56Low41 Ų41129 Ų12942%0.42363%0.629SS.*Hα-helixtrans-67.7-38.5176.600000113N7 E15N7-G11 PolarHBondContact O-N 3.04Å; G11-E15 PolarHBondContact O-N 2.95Å
12Y49.6Very low57.3Low176 Ų176121.6 Ų121.669%0.6959%0.593SS**Hα-helixtrans-71.6-36.4177.9-126.4-92.6000112.4Y8 H9 K16Y8-Y12 PolarHBondContact O-N 2.56Å; H9-Y12 PolarHBondContact O-N 2.77Å; Y12-K16 WeakPolarHBondContact O-CB 3.19Å; Y12-K16 PolarHBondContact O-N 3.26Å
13E60.5Low58.5Low103 Ų103118 Ų11848%0.48158%0.577SS.*Hα-helixtrans-69.7-40175.9-77.7-176.516600112.2H9 E15 K16 D17H9-E13 IonicContact CE1-OE1 3.58Å; H9-E13 IonicContact ND1-OE1 2.57Å; H9-E13 PolarHBondContact O-N 2.94Å; E13-E15 PolarHBondContact O-N 3.01Å; E13-K16 PolarHBondContact O-N 2.75Å; E13-D17 PolarHBondContact O-N 3.12Å
14Q61.7Low59.5Low119 Ų119113.8 Ų113.856%0.55656%0.563SS**Hα-helixtrans-64-38.5175.4-109-178.7-12.700113.2Y10 Q18Y10-Q14 PolarHBondContact O-N 2.89Å; Y10-Q14 VanDerWaalsContact O-N 3.12Å; Q14-Q18 WeakPolarHBondContact O-CG 3.47Å; Q14-Q18 PolarHBondContact O-N 3.47Å; Q14-Q18 VanDerWaalsContact O-N 3.12Å
15E62.3Low60.5Low124 Ų124114 Ų11458%0.57956%0.557SS**Hα-helixtrans-68.1-38.7175.6-167.8172.6-177.400111G11 E13 Q18 V19G11-E15 PolarHBondContact O-N 2.95Å; E13-E15 PolarHBondContact O-N 3.01Å; E15-Q18 PolarHBondContact O-N 2.72Å; E15-V19 WeakPolarHBondContact O-CB 3.4Å; E15-V19 VanDerWaalsContact O-CG2 3.25Å; E15-V19 WeakPolarHBondContact O-CG2 3Å; E15-V19 PolarHBondContact O-N 3.4Å
16K68Low61.5Low145 Ų145114.6 Ų114.663%0.6356%0.556SS**Hα-helixtrans-65.7-43.7176.8-155.4-178.8-177.9-169.50112.3Y12 E13 Q18 V19 E20Y12-K16 WeakPolarHBondContact O-CB 3.19Å; Y12-K16 PolarHBondContact O-N 3.26Å; E13-K16 PolarHBondContact O-N 2.75Å; K16-Q18 VanDerWaalsContact C-N 3.35Å; K16-Q18 PolarHBondContact O-N 2.94Å; K16-V19 PolarHBondContact O-N 3.34Å; K16-E20 WeakPolarHBondContact O-CB 3.45Å; K16-E20 PolarHBondContact O-N 2.86Å
17D71.3Confident62.3Low103 Ų103113.9 Ų113.955%0.55155%0.553SS**Hα-helixtrans-64.3-37.7176.2-78.3-10.7000112.1E13 T21E13-D17 PolarHBondContact O-N 3.12Å; D17-T21 VanDerWaalsContact O-CB 3.31Å; D17-T21 WeakPolarHBondContact O-CB 3.25Å; D17-T21 PolarHBondContact O-N 2.91Å; D17-T21 PolarHBondContact O-OG1 3.21Å
18Q68.3Low63.2Low130 Ų130112 Ų11261%0.60755%0.545SS*.Hα-helixtrans-67.5-44.2174.5-79.6-171.62.900112Q14 E15 K16 T21 I22Q14-Q18 WeakPolarHBondContact O-CG 3.47Å; Q14-Q18 PolarHBondContact O-N 3.47Å; Q14-Q18 VanDerWaalsContact O-N 3.12Å; E15-Q18 PolarHBondContact O-N 2.72Å; K16-Q18 VanDerWaalsContact C-N 3.35Å; K16-Q18 PolarHBondContact O-N 2.94Å; Q18-T21 PolarHBondContact O-N 3.46Å; Q18-I22 VanDerWaalsContact O-CG1 3.27Å; Q18-I22 WeakPolarHBondContact O-CG1 3.31Å; Q18-I22 PolarHBondContact O-N 3.31Å
19V69.8Low64.1Low81 Ų81107.5 Ų107.549%0.49153%0.534SS..Hα-helixtrans-64-41.4176.9172.10000110.8E15 K16 I22 T23E15-V19 WeakPolarHBondContact O-CB 3.4Å; E15-V19 VanDerWaalsContact O-CG2 3.25Å; E15-V19 WeakPolarHBondContact O-CG2 3Å; E15-V19 PolarHBondContact O-N 3.4Å; K16-V19 PolarHBondContact O-N 3.34Å; V19-I22 PolarHBondContact O-N 2.85Å; V19-T23 VanDerWaalsContact O-CB 3.28Å; V19-T23 WeakPolarHBondContact O-CB 3.28Å; V19-T23 PolarHBondContact O-N 2.94Å; V19-T23 PolarHBondContact O-OG1 3.2Å
20E75.1Confident64.7Low108 Ų108103 Ų10351%0.50552%0.516SS..Hα-helixtrans-67.2-38.2177.6-164.8163.8-171.500111.3K16 T23 N24K16-E20 WeakPolarHBondContact O-CB 3.45Å; K16-E20 PolarHBondContact O-N 2.86Å; E20-T23 PolarHBondContact O-N 3.48Å; E20-N24 VanDerWaalsContact O-CB 3.26Å; E20-N24 WeakPolarHBondContact O-CB 3.28Å; E20-N24 VanDerWaalsContact O-CG 3.23Å; E20-N24 PolarHBondContact O-N 3.44Å; E20-N24 PolarHBondContact O-ND2 3.36Å
21T74.7Confident65Low78 Ų78102.3 Ų102.348%0.47952%0.516SS..Hα-helixtrans-64.5-42.6173.4-58.90000112.4D17 Q18 K25D17-T21 VanDerWaalsContact O-CB 3.31Å; D17-T21 WeakPolarHBondContact O-CB 3.25Å; D17-T21 PolarHBondContact O-N 2.91Å; D17-T21 PolarHBondContact O-OG1 3.21Å; Q18-T21 PolarHBondContact O-N 3.46Å; T21-K25 WeakPolarHBondContact O-CG 3.26Å; T21-K25 PolarHBondContact O-N 3.19Å
22I71.1Confident64.9Low93 Ų93107.2 Ų107.248%0.47753%0.528SS..Hα-helixtrans-69.7-41.6177.8-67.8166.7000110.5Q18 V19 N24 K25 L26Q18-I22 VanDerWaalsContact O-CG1 3.27Å; Q18-I22 WeakPolarHBondContact O-CG1 3.31Å; Q18-I22 PolarHBondContact O-N 3.31Å; V19-I22 PolarHBondContact O-N 2.85Å; I22-N24 VanDerWaalsContact C-N 3.33Å; I22-N24 PolarHBondContact O-N 2.79Å; I22-K25 PolarHBondContact O-N 2.78Å; I22-L26 HydrophobicContact CG2-CD1 3.87Å; I22-L26 HydrophobicContact CG2-CG 4.33Å; I22-L26 WeakPolarHBondContact O-CB 3.35Å; I22-L26 WeakPolarHBondContact O-CG 3.45Å; I22-L26 PolarHBondContact O-N 3.42Å
23T71.2Confident65.1Low64 Ų64105.9 Ų105.939%0.39353%0.528SS..Hα-helixtrans-64.2-40.3177.3-53.20000110.8V19 E20 L26 N27V19-T23 VanDerWaalsContact O-CB 3.28Å; V19-T23 WeakPolarHBondContact O-CB 3.28Å; V19-T23 PolarHBondContact O-N 2.94Å; V19-T23 PolarHBondContact O-OG1 3.2Å; E20-T23 PolarHBondContact O-N 3.48Å; T23-L26 PolarHBondContact O-N 2.8Å; T23-N27 VanDerWaalsContact O-CB 3.26Å; T23-N27 WeakPolarHBondContact O-CB 3.26Å; T23-N27 PolarHBondContact O-N 3.38Å
24N69.1Low64.3Low90 Ų90110.2 Ų110.248%0.48154%0.54SS..Hα-helixtrans-66-40.4173.2-75.7-27.9000111.8E20 I22 N27 V28E20-N24 VanDerWaalsContact O-CB 3.26Å; E20-N24 WeakPolarHBondContact O-CB 3.28Å; E20-N24 VanDerWaalsContact O-CG 3.23Å; E20-N24 PolarHBondContact O-N 3.44Å; E20-N24 PolarHBondContact O-ND2 3.36Å; I22-N24 VanDerWaalsContact C-N 3.33Å; I22-N24 PolarHBondContact O-N 2.79Å; N24-N27 PolarHBondContact O-N 2.85Å; N24-V28 WeakPolarHBondContact O-CB 3.49Å; N24-V28 WeakPolarHBondContact O-CG2 3.3Å; N24-V28 PolarHBondContact O-N 2.87Å
25K70.3Confident63.3Low143 Ų143111.2 Ų111.262%0.62255%0.548SS*.Hα-helixtrans-63.2-44.1172.9-80.3-178.1177.1-178.60112.5T21 I22 V28 L29T21-K25 WeakPolarHBondContact O-CG 3.26Å; T21-K25 PolarHBondContact O-N 3.19Å; I22-K25 PolarHBondContact O-N 2.78Å; K25-V28 PolarHBondContact O-N 2.87Å; K25-L29 WeakPolarHBondContact O-CB 3.18Å; K25-L29 VanDerWaalsContact O-CG 3.25Å; K25-L29 WeakPolarHBondContact O-CG 3.34Å; K25-L29 PolarHBondContact O-N 3.47Å
26L68.8Low62.2Low103 Ų103108.2 Ų108.254%0.53954%0.541SS..Hα-helixtrans-69.5-34.3177.7-72.8171000112.2I22 T23 L29 S30I22-L26 HydrophobicContact CG2-CD1 3.87Å; I22-L26 HydrophobicContact CG2-CG 4.33Å; I22-L26 WeakPolarHBondContact O-CB 3.35Å; I22-L26 WeakPolarHBondContact O-CG 3.45Å; I22-L26 PolarHBondContact O-N 3.42Å; T23-L26 PolarHBondContact O-N 2.8Å; L26-L29 PolarHBondContact O-N 2.86Å; L26-S30 VanDerWaalsContact O-CB 3.28Å; L26-S30 WeakPolarHBondContact O-CB 2.96Å; L26-S30 PolarHBondContact O-N 3.15Å; L26-S30 PolarHBondContact O-OG 2.81Å
27N63.6Low60.7Low87 Ų87105.1 Ų105.147%0.46554%0.538SS..Hα-helixtrans-69.3-37.8171.9-84.7-21.6000111.2T23 N24 K31T23-N27 VanDerWaalsContact O-CB 3.26Å; T23-N27 WeakPolarHBondContact O-CB 3.26Å; T23-N27 PolarHBondContact O-N 3.38Å; N24-N27 PolarHBondContact O-N 2.85Å; N27-K31 WeakPolarHBondContact O-CA 3.47Å; N27-K31 WeakPolarHBondContact O-CB 3.28Å; N27-K31 PolarHBondContact O-N 3.25Å
28V68Low59.3Low87 Ų87106.5 Ų106.553%0.52755%0.552SS.*Hα-helixtrans-66.1-41.4173.11710000110.8N24 K25 H32N24-V28 WeakPolarHBondContact O-CB 3.49Å; N24-V28 WeakPolarHBondContact O-CG2 3.3Å; N24-V28 PolarHBondContact O-N 2.87Å; K25-V28 PolarHBondContact O-N 2.87Å; V28-H32 WeakPolarHBondContact O-CB 3.36Å; V28-H32 PolarHBondContact O-N 3.31Å
29L59.2Low57.7Low106 Ų106106.3 Ų106.356%0.55556%0.555SS**Hα-helixtrans-67.5-47.6176.9-70.3169.6000111.8K25 L26 K31 H32 E33K25-L29 WeakPolarHBondContact O-CB 3.18Å; K25-L29 VanDerWaalsContact O-CG 3.25Å; K25-L29 WeakPolarHBondContact O-CG 3.34Å; K25-L29 PolarHBondContact O-N 3.47Å; L26-L29 PolarHBondContact O-N 2.86Å; L29-K31 VanDerWaalsContact C-N 3.29Å; L29-K31 PolarHBondContact O-N 2.86Å; L29-H32 PolarHBondContact O-N 3.47Å; L29-H32 VanDerWaalsContact O-N 3.15Å; L29-E33 PolarHBondContact O-N 2.91Å
30S58.9Low56.2Low25 Ų25107.6 Ų107.618%0.17557%0.565CS.*Hα-helixtrans-71.5-23.4178.479.40000113.2L26 R34L26-S30 VanDerWaalsContact O-CB 3.28Å; L26-S30 WeakPolarHBondContact O-CB 2.96Å; L26-S30 PolarHBondContact O-N 3.15Å; L26-S30 PolarHBondContact O-OG 2.81Å; S30-R34 WeakPolarHBondContact O-CB 3.26Å; S30-R34 VanDerWaalsContact O-CG 3.3Å; S30-R34 WeakPolarHBondContact O-CG 3.28Å; S30-R34 PolarHBondContact O-N 2.89Å; S30-R34 PolarHBondContact O-NE 3.44Å; S30-R34 PolarHBondContact OG-NH2 2.92Å
31K52.5Low54.9Low142 Ų142108.2 Ų108.262%0.61758%0.576SS**Hα-helixtrans-82.1-29.2171.1-160.8174.6-169.8-179.10110.9N27 L29 L35N27-K31 WeakPolarHBondContact O-CA 3.47Å; N27-K31 WeakPolarHBondContact O-CB 3.28Å; N27-K31 PolarHBondContact O-N 3.25Å; L29-K31 VanDerWaalsContact C-N 3.29Å; L29-K31 PolarHBondContact O-N 2.86Å; K31-L35 WeakPolarHBondContact O-CA 3.35Å; K31-L35 WeakPolarHBondContact O-CB 3.48Å; K31-L35 PolarHBondContact O-N 3.41Å
32H49.3Very low53.2Low145 Ų145112.4 Ų112.467%0.67159%0.59SS**Hα-helixtrans-67.2-38167.1-108.8-76.1000111.7V28 L29 S36V28-H32 WeakPolarHBondContact O-CB 3.36Å; V28-H32 PolarHBondContact O-N 3.31Å; L29-H32 PolarHBondContact O-N 3.47Å; L29-H32 VanDerWaalsContact O-N 3.15Å; H32-S36 PolarHBondContact O-N 3.24Å; H32-S36 PolarHBondContact O-OG 3.05Å
33E53.2Low51.9Low147 Ų147111.3 Ų111.369%0.68759%0.589SS**Hα-helixtrans-75.9-32.8175.7-79.8176135.100113.6L29 S36L29-E33 PolarHBondContact O-N 2.91Å; E33-S36 PolarHBondContact O-OG 3.27Å
34R43.9Very low50.5Low195 Ų195111.2 Ų111.274%0.73659%0.591SS**Hα-helixtrans-91.6-17.9179.5-71.6-171.7-82.7-156.8-4.4114.8S30S30-R34 WeakPolarHBondContact O-CB 3.26Å; S30-R34 VanDerWaalsContact O-CG 3.3Å; S30-R34 WeakPolarHBondContact O-CG 3.28Å; S30-R34 PolarHBondContact O-N 2.89Å; S30-R34 PolarHBondContact O-NE 3.44Å; S30-R34 PolarHBondContact OG-NH2 2.92Å
35L41.8Very low49.4Very low139 Ų139115.4 Ų115.473%0.72861%0.612SS**Hα-helixtrans-97-8.9174.4-148.185000112.6K31 S37K31-L35 WeakPolarHBondContact O-CA 3.35Å; K31-L35 WeakPolarHBondContact O-CB 3.48Å; K31-L35 PolarHBondContact O-N 3.41Å; L35-S37 VanDerWaalsContact C-N 3.29Å; L35-S37 PolarHBondContact O-N 3.15Å; L35-S37 VanDerWaalsContact O-N 3.12Å
36S37.9Very low48.5Very low62 Ų62115.3 Ų115.343%0.43462%0.619SS.*  trans-71.993.8149.749.60000107.9H32 E33H32-S36 PolarHBondContact O-N 3.24Å; H32-S36 PolarHBondContact O-OG 3.05Å; E33-S36 PolarHBondContact O-OG 3.27Å
37S37Very low47.8Very low80 Ų80116.5 Ų116.556%0.55963%0.626SS**  trans-42.9148.6135.450.20000107.3L35 L39L35-S37 VanDerWaalsContact C-N 3.29Å; L35-S37 PolarHBondContact O-N 3.15Å; L35-S37 VanDerWaalsContact O-N 3.12Å; S37-L39 PolarHBondContact O-N 3.18Å
38P42.4Very low47.4Very low131 Ų131119.2 Ų119.285%0.85164%0.635SS**  trans-64.285.7176.527.3-31000107.3
39L35.1Very low47.2Very low127 Ų127119 Ų11967%0.66564%0.636SS**  trans-55.7123.6154.6-74.3170.9000102S37 V41S37-L39 PolarHBondContact O-N 3.18Å; L39-V41 VanDerWaalsContact C-N 3.32Å; L39-V41 PolarHBondContact O-N 3.24Å
40P38.2Very low47.4Very low108 Ų108120.2 Ų120.270%0.70164%0.639SS**  trans-55.3108.217822.8-30.4000105.5Q42P40-Q42 PolarHBondContact O-N 2.98Å
41V46.1Very low47.3Very low121 Ų121125.8 Ų125.873%0.73366%0.662SS**  trans-63.895.8168175.80000102.4L39 P43L39-V41 VanDerWaalsContact C-N 3.32Å; L39-V41 PolarHBondContact O-N 3.24Å; V41-P43 VanDerWaalsContact O-CD 3.28Å; V41-P43 WeakPolarHBondContact O-CD 3.34Å
42Q39Very low47.3Very low165 Ų165129.3 Ų129.377%0.77167%0.673SS**PPolyproline II helixtrans-56.1117.6173.7-71.8-171.6-7.700104.7P40 S44P40-Q42 PolarHBondContact O-N 2.98Å; Q42-S44 PolarHBondContact O-N 3.1Å
43P45.1Very low47.6Very low70 Ų70126.3 Ų126.346%0.45567%0.668SS.*PPolyproline II helixtrans-56.8117.7178.821.4-30000105.9V41 L45 K330V41-P43 VanDerWaalsContact O-CD 3.28Å; V41-P43 WeakPolarHBondContact O-CD 3.34Å; P43-L45 PolarHBondContact O-N 3.08Å; P43-K330 HydrophobicContact CG-CD 4.3Å
44S41.8Very low47.6Very low62 Ų62123.4 Ų123.443%0.43466%0.661SS.*PPolyproline II helixtrans-56.1133.5173.483.50000106Q42 N46 D47Q42-S44 PolarHBondContact O-N 3.1Å; S44-N46 PolarHBondContact O-N 3.33Å; S44-D47 PolarHBondContact O-N 3.13Å; S44-D47 VanDerWaalsContact OG-CG 3.23Å; S44-D47 PolarHBondContact OG-OD2 3.14Å
45L44.6Very low48.2Very low178 Ų178118.9 Ų118.993%0.93266%0.655SS**THydrogen-bonded Turntrans-59.8-3.2-172.3-157.175.5000113.2P43P43-L45 PolarHBondContact O-N 3.08Å
46N51.5Low49.1Very low142 Ų142114.1 Ų114.176%0.75963%0.633SS**THydrogen-bonded Turntrans-112.14.2-179-75.1-14.2000114.9S44 H48S44-N46 PolarHBondContact O-N 3.33Å; N46-H48 PolarHBondContact O-N 2.94Å
47D54.1Low50.4Low128 Ų128113.7 Ų113.768%0.68463%0.63SS**  trans-84.3103.9173.5-71.6-39.5000110.5S44S44-D47 PolarHBondContact O-N 3.13Å; S44-D47 VanDerWaalsContact OG-CG 3.23Å; S44-D47 PolarHBondContact OG-OD2 3.14Å
48H56.5Low51.9Low143 Ų143114.4 Ų114.466%0.66263%0.628SS**  trans-86.4166.2169.659.6-72.6000109.6N46 H50N46-H48 PolarHBondContact O-N 2.94Å; H48-H50 PolarHBondContact O-N 2.94Å
49C62.8Low53.2Low82 Ų82112.5 Ų112.555%0.55461%0.609SS**SBendtrans-57.28-165.7-61.60000118K337C49-K337 PolarHBondContact O-NZ 3.3Å
50H64.1Low55Low133 Ų133109.7 Ų109.762%0.61660%0.595SS**  trans-127.1113.5-179.5-58.6-70.5000111H48H48-H50 PolarHBondContact O-N 2.94Å
51E57.6Low57Low141 Ų141111.3 Ų111.366%0.65959%0.591SS**  trans-93.5128.6162.4-169.8168-178.300107.8S53 Q338E51-S53 PolarHBondContact O-N 2.67Å; E51-Q338 PolarHBondContact OE2-NE2 3.46Å
52Y51.8Low58.7Low217 Ų217107.4 Ų107.485%0.85157%0.569SS**  trans-73.494.9-175.4-135-88000109.4T54Y52-T54 PolarHBondContact O-N 3.21Å
53S55.3Low60.8Low81 Ų81101.1 Ų101.157%0.56655%0.546SS*.  trans-68.492.3175.6-47.50000110.3E51 V55E51-S53 PolarHBondContact O-N 2.67Å; S53-V55 PolarHBondContact O-N 2.81Å
54T53.7Low62.8Low87 Ų87104 Ų10453%0.53455%0.548SS..Hα-helixtrans-67.7-20.4180550000113.3Y52 S57 N58Y52-T54 PolarHBondContact O-N 3.21Å; T54-S57 PolarHBondContact O-N 3.33Å; T54-S57 PolarHBondContact O-OG 3.5Å; T54-N58 PolarHBondContact O-ND2 3.47Å
55V56.6Low65.1Low100 Ų100109.6 Ų109.661%0.60656%0.559SS**Hα-helixtrans-60.8-49.2-173.4-178.20000112.3S53 S57 N58 I59S53-V55 PolarHBondContact O-N 2.81Å; V55-S57 VanDerWaalsContact C-N 3.27Å; V55-S57 PolarHBondContact O-N 3.22Å; V55-N58 PolarHBondContact O-N 3.48Å; V55-I59 HydrophobicContact CG1-CD1 4.37Å
56S60.4Low67.1Low38 Ų38103.1 Ų103.127%0.26652%0.523SS..Hα-helixtrans-61.2-37.3-176.6-50.40000112.2N58 I59 D60S56-N58 VanDerWaalsContact C-N 3.26Å; S56-N58 PolarHBondContact O-N 3.08Å; S56-I59 PolarHBondContact O-N 3.4Å; S56-D60 PolarHBondContact O-N 3.12Å
57S64.6Low68.9Low54 Ų5497.4 Ų97.438%0.37849%0.493SS..Hα-helixtrans-64.9-26.8-178.577.60000114.1T54 V55 K61T54-S57 PolarHBondContact O-N 3.33Å; T54-S57 PolarHBondContact O-OG 3.5Å; V55-S57 VanDerWaalsContact C-N 3.27Å; V55-S57 PolarHBondContact O-N 3.22Å; S57-K61 WeakPolarHBondContact O-CG 3.3Å
58N68Low70.7Confident95 Ų9595.4 Ų95.451%0.50848%0.481SS..Hα-helixtrans-81.5-33.9-179.6-74.4-45.4000112.1T54 V55 S56 K61 S62T54-N58 PolarHBondContact O-ND2 3.47Å; V55-N58 PolarHBondContact O-N 3.48Å; S56-N58 VanDerWaalsContact C-N 3.26Å; S56-N58 PolarHBondContact O-N 3.08Å; N58-K61 PolarHBondContact O-N 3.07Å; N58-S62 PolarHBondContact O-N 2.87Å
59I69.6Low72.4Confident90 Ų9093.9 Ų93.946%0.46248%0.477SS..Hα-helixtrans-63-48.1177.2-62.6172.6000109.5V55 S56 K61 S62 A63V55-I59 HydrophobicContact CG1-CD1 4.37Å; S56-I59 PolarHBondContact O-N 3.4Å; I59-K61 VanDerWaalsContact C-N 3.33Å; I59-K61 PolarHBondContact O-N 3.48Å; I59-S62 PolarHBondContact O-N 2.67Å; I59-A63 PolarHBondContact O-N 3.41Å
60D73.2Confident73.7Confident69 Ų6990.1 Ų90.137%0.36945%0.452SS..Hα-helixtrans-61.3-39.7-179.3-62.8-14.1000112.4S56 A63 R64S56-D60 PolarHBondContact O-N 3.12Å; D60-A63 PolarHBondContact O-N 3.07Å; D60-R64 VanDerWaalsContact O-CB 3.3Å; D60-R64 WeakPolarHBondContact O-CB 3.48Å; D60-R64 PolarHBondContact O-N 3.22Å
61K81.8Confident75Confident141 Ų14184.3 Ų84.361%0.61343%0.427SS*.Hα-helixtrans-64-43176.9-73.6174.1-174.1173.90111.9S57 N58 I59 R65S57-K61 WeakPolarHBondContact O-CG 3.3Å; N58-K61 PolarHBondContact O-N 3.07Å; I59-K61 VanDerWaalsContact C-N 3.33Å; I59-K61 PolarHBondContact O-N 3.48Å; K61-R65 PolarHBondContact O-N 2.99Å; K61-R65 VanDerWaalsContact O-N 3.1Å
62S81.3Confident76.7Confident40 Ų4079.6 Ų79.628%0.2842%0.416SS..Hα-helixtrans-65-46.7177.9-173.70000111N58 I59 R64 R65 K66N58-S62 PolarHBondContact O-N 2.87Å; I59-S62 PolarHBondContact O-N 2.67Å; S62-R64 PolarHBondContact O-N 2.94Å; S62-R65 PolarHBondContact O-N 3.46Å; S62-K66 WeakPolarHBondContact O-CG 3.27Å; S62-K66 PolarHBondContact O-N 2.89Å; S62-K66 VanDerWaalsContact O-N 3.12Å
63A83.4Confident78.6Confident33 Ų3371.2 Ų71.227%0.27339%0.385SS..Hα-helixtrans-59.2-47.4176.900000111.8I59 D60 R65 K66 L67 L114I59-A63 PolarHBondContact O-N 3.41Å; D60-A63 PolarHBondContact O-N 3.07Å; A63-R65 PolarHBondContact O-N 3.01Å; A63-K66 PolarHBondContact O-N 3.41Å; A63-L67 PolarHBondContact O-N 2.62Å; A63-L114 HydrophobicContact CB-CD1 4.36Å
64R87.2Confident80.3Confident131 Ų13167.4 Ų67.449%0.49436%0.359SS..Hα-helixtrans-58.3-44.9177.3-176.6178.1175.5-155.4-2.1112.2D60 S62 L67 I68 L111D60-R64 VanDerWaalsContact O-CB 3.3Å; D60-R64 WeakPolarHBondContact O-CB 3.48Å; D60-R64 PolarHBondContact O-N 3.22Å; S62-R64 PolarHBondContact O-N 2.94Å; R64-L67 PolarHBondContact O-N 3.43Å; R64-I68 HydrophobicContact CG-CD1 3.93Å; R64-I68 VanDerWaalsContact O-CG1 3.28Å; R64-I68 WeakPolarHBondContact O-CG1 3.25Å; R64-I68 PolarHBondContact O-N 2.86Å; R64-L111 HydrophobicContact CG-CD2 4.45Å
65R89Confident82.2Confident178 Ų17867.1 Ų67.167%0.67235%0.354SS*.Hα-helixtrans-63.3-42.8179.7-174.5175.865.2-172.5-0.3111.9K61 S62 A63 I68 L69K61-R65 PolarHBondContact O-N 2.99Å; K61-R65 VanDerWaalsContact O-N 3.1Å; S62-R65 PolarHBondContact O-N 3.46Å; A63-R65 PolarHBondContact O-N 3.01Å; R65-I68 PolarHBondContact O-N 3.49Å; R65-L69 WeakPolarHBondContact O-CB 3.49Å; R65-L69 PolarHBondContact O-N 3.43Å
66K88Confident83.9Confident43 Ų4369.1 Ų69.119%0.18735%0.354CS..Hα-helixtrans-64.3-44.1178.3-68174.3-172.3-179.20111.9S62 A63 L69 A70 N191S62-K66 WeakPolarHBondContact O-CG 3.27Å; S62-K66 PolarHBondContact O-N 2.89Å; S62-K66 VanDerWaalsContact O-N 3.12Å; A63-K66 PolarHBondContact O-N 3.41Å; K66-L69 PolarHBondContact O-N 2.88Å; K66-A70 WeakPolarHBondContact O-CB 3.46Å; K66-A70 PolarHBondContact O-N 3.24Å; K66-N191 WeakPolarHBondContact CE-ND2 3.48Å; K66-N191 WeakPolarHBondContact CE-OD1 3.27Å
67L88.5Confident85.3Confident22 Ų2269.6 Ų69.612%0.11535%0.352CS..Hα-helixtrans-64.8-40.9177.6-75.9168.3000112A63 R64 L69 A70 S71 F107 L111 L114 L189A63-L67 PolarHBondContact O-N 2.62Å; R64-L67 PolarHBondContact O-N 3.43Å; L67-L69 VanDerWaalsContact C-N 3.32Å; L67-L69 PolarHBondContact O-N 3.07Å; L67-A70 PolarHBondContact O-N 3.49Å; L67-S71 WeakPolarHBondContact O-CB 3.28Å; L67-S71 PolarHBondContact O-N 3.39Å; L67-S71 PolarHBondContact O-OG 2.99Å; L67-F107 HydrophobicContact CD2-CD1 4.45Å; L67-L111 HydrophobicContact CB-CD2 3.57Å; L67-L111 HydrophobicContact CB-CG 3.99Å; L67-L111 HydrophobicContact CD1-CD2 4.45Å; L67-L114 HydrophobicContact CD1-CD1 3.4Å; L67-L114 VanDerWaalsContact CD1-CD1 3.4Å; L67-L189 HydrophobicContact CD2-CD1 4.43Å
68I92.5Very high86.6Confident86 Ų8667.6 Ų67.644%0.44134%0.336SS..Hα-helixtrans-60.5-43.6174.1-69.5168.7000110.8R64 R65 S71 G72 L111R64-I68 HydrophobicContact CG-CD1 3.93Å; R64-I68 VanDerWaalsContact O-CG1 3.28Å; R64-I68 WeakPolarHBondContact O-CG1 3.25Å; R64-I68 PolarHBondContact O-N 2.86Å; R65-I68 PolarHBondContact O-N 3.49Å; I68-S71 PolarHBondContact O-N 3.41Å; I68-G72 PolarHBondContact O-N 3.03Å; I68-L111 HydrophobicContact CG1-CD1 4.32Å; I68-L111 HydrophobicContact CG1-CD2 3.8Å
69L91.8Very high87.8Confident110 Ų11066.1 Ų66.158%0.57633%0.331SS*.Hα-helixtrans-63.3-45.5178.1-174.764.9000111.5R65 K66 L67 G72 L73 T188R65-L69 WeakPolarHBondContact O-CB 3.49Å; R65-L69 PolarHBondContact O-N 3.43Å; K66-L69 PolarHBondContact O-N 2.88Å; L67-L69 VanDerWaalsContact C-N 3.32Å; L67-L69 PolarHBondContact O-N 3.07Å; L69-G72 PolarHBondContact O-N 2.92Å; L69-L73 WeakPolarHBondContact O-CB 3.41Å; L69-L73 PolarHBondContact O-N 3.13Å; L69-T188 HydrophobicContact CB-CG2 4.17Å; L69-T188 HydrophobicContact CD2-CG2 3.55Å; L69-T188 HydrophobicContact CG-CG2 3.66Å
70A89.3Confident88.7Confident3 Ų364 Ų643%0.02533%0.331CS..Hα-helixtrans-63.5-43.6176.400000112.3K66 L67 G72 L73 C74K66-A70 WeakPolarHBondContact O-CB 3.46Å; K66-A70 PolarHBondContact O-N 3.24Å; L67-A70 PolarHBondContact O-N 3.49Å; A70-G72 PolarHBondContact O-N 3.39Å; A70-L73 PolarHBondContact O-N 3.4Å; A70-C74 VanDerWaalsContact O-CB 3.28Å; A70-C74 WeakPolarHBondContact O-CB 3.32Å; A70-C74 PolarHBondContact O-N 3.02Å
71S91.7Very high89.5Confident12 Ų1261.6 Ų61.68%0.08432%0.318CS..Hα-helixtrans-62-41.1174.9-64.10000112.2L67 I68 L75 F107 L111L67-S71 WeakPolarHBondContact O-CB 3.28Å; L67-S71 PolarHBondContact O-N 3.39Å; L67-S71 PolarHBondContact O-OG 2.99Å; I68-S71 PolarHBondContact O-N 3.41Å; S71-L75 WeakPolarHBondContact O-CB 3.4Å; S71-L75 PolarHBondContact O-N 3.24Å; S71-F107 WeakPolarHBondContact OG-CB 3.37Å; S71-L111 WeakPolarHBondContact OG-CD1 3.34Å
72G93Very high89.9Confident42 Ų4259.1 Ų59.143%0.43331%0.31SS..Hα-helixtrans-64.2-42.517600000112.5I68 L69 A70 F76I68-G72 PolarHBondContact O-N 3.03Å; L69-G72 PolarHBondContact O-N 2.92Å; A70-G72 PolarHBondContact O-N 3.39Å; G72-F76 PolarHBondContact O-N 2.79Å
73L91.5Very high90.4Very high41 Ų4162.1 Ų62.122%0.21532%0.322CS..Hα-helixtrans-65.1-45.5176.6-172.770.3000111.9L69 A70 L75 F76 F77 I184 M185L69-L73 WeakPolarHBondContact O-CB 3.41Å; L69-L73 PolarHBondContact O-N 3.13Å; A70-L73 PolarHBondContact O-N 3.4Å; L73-L75 PolarHBondContact O-N 3.2Å; L73-F76 WeakPolarHBondContact O-CB 3.15Å; L73-F76 PolarHBondContact O-N 3.31Å; L73-F77 HydrophobicContact CD1-CD2 4.06Å; L73-F77 HydrophobicContact CD1-CE2 3.49Å; L73-F77 VanDerWaalsContact CD1-CE2 3.49Å; L73-F77 HydrophobicContact CD1-CZ 4.34Å; L73-F77 HydrophobicContact CD2-CE2 4.2Å; L73-F77 HydrophobicContact CG-CD2 3.89Å; L73-F77 HydrophobicContact CG-CE2 3.65Å; L73-F77 VanDerWaalsContact O-CD2 3.27Å; L73-F77 WeakPolarHBondContact O-CD2 3.18Å; L73-F77 PolarHBondContact O-N 2.89Å; L73-F77 VanDerWaalsContact O-N 3.07Å; L73-I184 HydrophobicContact CD2-CB 4.38Å; L73-I184 HydrophobicContact CD2-CG2 3.58Å; L73-M185 HydrophobicContact CD2-CG 3.96Å
74C91.7Very high90.5Very high0 Ų062 Ų620%032%0.324CS..Hα-helixtrans-60.5-44.9177.2-177.20000111.3A70 F76 F77 M78 L100 F107 M185A70-C74 VanDerWaalsContact O-CB 3.28Å; A70-C74 WeakPolarHBondContact O-CB 3.32Å; A70-C74 PolarHBondContact O-N 3.02Å; C74-F76 VanDerWaalsContact C-N 3.35Å; C74-F76 PolarHBondContact O-N 3.43Å; C74-F77 PolarHBondContact O-N 2.98Å; C74-M78 VanDerWaalsContact O-CB 3.22Å; C74-M78 WeakPolarHBondContact O-CB 3.3Å; C74-M78 PolarHBondContact O-N 3.35Å; C74-L100 PolarHBondContact SG-O 3.11Å; C74-F107 HydrophobicContact CB-CD2 4.38Å; C74-F107 HydrophobicContact CB-CE2 4.25Å; C74-M185 HydrophobicContact CB-SD 3.98Å
75L93.2Very high90.4Very high82 Ų8255.9 Ų55.943%0.42930%0.301SS..Hα-helixtrans-61.1-42.6176-17763.5000111.9S71 L73 M78 T79 F104S71-L75 WeakPolarHBondContact O-CB 3.4Å; S71-L75 PolarHBondContact O-N 3.24Å; L73-L75 PolarHBondContact O-N 3.2Å; L75-M78 PolarHBondContact O-N 2.8Å; L75-T79 HydrophobicContact CD1-CG2 4.4Å; L75-T79 WeakPolarHBondContact O-CG2 3.29Å; L75-T79 PolarHBondContact O-N 3.12Å; L75-T79 PolarHBondContact O-OG1 3.26Å; L75-F104 HydrophobicContact CB-CD2 4.5Å; L75-F104 HydrophobicContact CB-CE2 4.15Å
76F92.5Very high90.3Very high141 Ų14150.4 Ų50.462%0.61829%0.294SS*.Hα-helixtrans-59.2-51.7177.2175.3-100.3000111.8G72 L73 C74 T79 G80G72-F76 PolarHBondContact O-N 2.79Å; L73-F76 WeakPolarHBondContact O-CB 3.15Å; L73-F76 PolarHBondContact O-N 3.31Å; C74-F76 VanDerWaalsContact C-N 3.35Å; C74-F76 PolarHBondContact O-N 3.43Å; F76-T79 PolarHBondContact O-N 3.04Å; F76-T79 PolarHBondContact O-OG1 3.46Å; F76-G80 PolarHBondContact O-N 3.27Å; F76-G80 VanDerWaalsContact O-N 3.15Å
77F90.4Very high90.4Very high49 Ų4955 Ų5522%0.21532%0.32CS..Hα-helixtrans-65-42.7179-75-62.8000112.8L73 C74 T79 G80 E81 L100 V181 I184L73-F77 HydrophobicContact CD1-CD2 4.06Å; L73-F77 HydrophobicContact CD1-CE2 3.49Å; L73-F77 VanDerWaalsContact CD1-CE2 3.49Å; L73-F77 HydrophobicContact CD1-CZ 4.34Å; L73-F77 HydrophobicContact CD2-CE2 4.2Å; L73-F77 HydrophobicContact CG-CD2 3.89Å; L73-F77 HydrophobicContact CG-CE2 3.65Å; L73-F77 VanDerWaalsContact O-CD2 3.27Å; L73-F77 WeakPolarHBondContact O-CD2 3.18Å; L73-F77 PolarHBondContact O-N 2.89Å; L73-F77 VanDerWaalsContact O-N 3.07Å; C74-F77 PolarHBondContact O-N 2.98Å; F77-T79 VanDerWaalsContact C-N 3.31Å; F77-T79 PolarHBondContact O-N 3.29Å; F77-G80 WeakPolarHBondContact O-CA 3.24Å; F77-G80 PolarHBondContact O-N 2.81Å; F77-E81 PolarHBondContact O-N 2.83Å; F77-L100 HydrophobicContact CB-CD1 4.38Å; F77-V181 HydrophobicContact CB-CG1 4.03Å; F77-V181 HydrophobicContact CB-CG2 4.25Å; F77-V181 HydrophobicContact CD1-CG2 3.56Å; F77-V181 HydrophobicContact CD2-CB 4.25Å; F77-V181 HydrophobicContact CD2-CG1 3.45Å; F77-V181 VanDerWaalsContact CD2-CG1 3.45Å; F77-V181 HydrophobicContact CD2-CG2 3.85Å; F77-V181 HydrophobicContact CE1-CG2 3.74Å; F77-V181 HydrophobicContact CE2-CB 4.45Å; F77-V181 HydrophobicContact CE2-CG1 3.98Å; F77-V181 HydrophobicContact CE2-CG2 3.98Å; F77-V181 HydrophobicContact CG-CB 4.39Å; F77-V181 HydrophobicContact CG-CG1 3.79Å; F77-V181 HydrophobicContact CG-CG2 3.62Å; F77-V181 HydrophobicContact CZ-CG2 3.94Å; F77-I184 HydrophobicContact CZ-CD1 4.3Å
78M91.4Very high90.2Very high11 Ų1156.5 Ų56.55%0.05434%0.335CS..Hα-helixtrans-58.1-42.9176.9-170.3-164.3-41.600111.7C74 L75 G80 E81 I82 T97 L100 L101 F104C74-M78 VanDerWaalsContact O-CB 3.22Å; C74-M78 WeakPolarHBondContact O-CB 3.3Å; C74-M78 PolarHBondContact O-N 3.35Å; L75-M78 PolarHBondContact O-N 2.8Å; M78-G80 VanDerWaalsContact C-N 3.34Å; M78-G80 PolarHBondContact O-N 2.87Å; M78-E81 PolarHBondContact O-N 3.32Å; M78-I82 HydrophobicContact CG-CD1 4.02Å; M78-I82 WeakPolarHBondContact O-CB 3.2Å; M78-I82 WeakPolarHBondContact O-CG1 3.39Å; M78-I82 PolarHBondContact O-N 3.07Å; M78-T97 HydrophobicContact CG-CG2 4.25Å; M78-L100 HydrophobicContact CB-CB 4.28Å; M78-L100 HydrophobicContact CB-CD1 4.34Å; M78-L100 HydrophobicContact CG-CB 4.25Å; M78-L101 HydrophobicContact SD-CB 4.23Å; M78-L101 HydrophobicContact SD-CD1 4.05Å; M78-F104 HydrophobicContact CE-CB 3.41Å; M78-F104 VanDerWaalsContact CE-CB 3.41Å; M78-F104 HydrophobicContact CE-CD1 4.19Å; M78-F104 HydrophobicContact CE-CD2 4.37Å; M78-F104 HydrophobicContact CE-CG 3.75Å
79T92Very high89.7Confident65 Ų6560.8 Ų60.840%0.39935%0.354SS..Hα-helixtrans-64.1-39.3175.558.80000112.4L75 F76 F77 I83L75-T79 HydrophobicContact CD1-CG2 4.4Å; L75-T79 WeakPolarHBondContact O-CG2 3.29Å; L75-T79 PolarHBondContact O-N 3.12Å; L75-T79 PolarHBondContact O-OG1 3.26Å; F76-T79 PolarHBondContact O-N 3.04Å; F76-T79 PolarHBondContact O-OG1 3.46Å; F77-T79 VanDerWaalsContact C-N 3.31Å; F77-T79 PolarHBondContact O-N 3.29Å; T79-I83 WeakPolarHBondContact O-CD1 3.47Å; T79-I83 VanDerWaalsContact O-CG1 3.24Å; T79-I83 WeakPolarHBondContact O-CG1 3.29Å; T79-I83 PolarHBondContact O-N 3.44Å; T79-I83 VanDerWaalsContact O-N 3.09Å
80G90.1Very high89.2Confident44 Ų4456.1 Ų56.145%0.45433%0.33SS..Hα-helixtrans-62.2-43.2175.100000112.7F76 F77 M78 I83 G84F76-G80 PolarHBondContact O-N 3.27Å; F76-G80 VanDerWaalsContact O-N 3.15Å; F77-G80 WeakPolarHBondContact O-CA 3.24Å; F77-G80 PolarHBondContact O-N 2.81Å; M78-G80 VanDerWaalsContact C-N 3.34Å; M78-G80 PolarHBondContact O-N 2.87Å; G80-I83 PolarHBondContact O-N 3.02Å; G80-G84 PolarHBondContact O-N 2.84Å
81E89.6Confident88.8Confident20 Ų2062.5 Ų62.59%0.09336%0.363CS..Hα-helixtrans-72.4-36.3178-71.3-175.9-172.100113.3F77 M78 I83 G84 G85 I93 T97 L100F77-E81 PolarHBondContact O-N 2.83Å; M78-E81 PolarHBondContact O-N 3.32Å; E81-I83 VanDerWaalsContact C-N 3.32Å; E81-I83 PolarHBondContact O-N 3.22Å; E81-G84 PolarHBondContact O-N 3.22Å; E81-G85 WeakPolarHBondContact O-CA 3.3Å; E81-G85 PolarHBondContact O-N 3.28Å; E81-I93 HydrophobicContact CB-CG2 4.23Å; E81-I93 WeakPolarHBondContact O-CG2 3.34Å; E81-T97 VanDerWaalsContact CB-OG1 3.28Å; E81-T97 WeakPolarHBondContact CB-OG1 3.4Å; E81-T97 PolarHBondContact OE2-N 3.4Å; E81-T97 PolarHBondContact OE2-OG1 3Å; E81-L100 HydrophobicContact CG-CD1 4.5Å; E81-L100 VanDerWaalsContact OE2-CD1 3.24Å; E81-L100 WeakPolarHBondContact OE2-CD1 3.39Å
82I90.7Very high88.1Confident88 Ų8863.5 Ų63.545%0.45137%0.372SS..Hα-helixtrans-58.8-47.8172.3-72.2165.2000109.8M78 A86 T97M78-I82 HydrophobicContact CG-CD1 4.02Å; M78-I82 WeakPolarHBondContact O-CB 3.2Å; M78-I82 WeakPolarHBondContact O-CG1 3.39Å; M78-I82 PolarHBondContact O-N 3.07Å; I82-A86 VanDerWaalsContact O-CB 3.29Å; I82-A86 WeakPolarHBondContact O-CB 3.45Å; I82-A86 PolarHBondContact O-N 2.99Å; I82-T97 HydrophobicContact CD1-CG2 4.02Å; I82-T97 HydrophobicContact CG1-CG2 3.35Å
83I90.4Very high87.7Confident104 Ų10462.6 Ų62.653%0.53336%0.357SS..Hα-helixtrans-65-47.2178.5-65.9165.9000110.2T79 G80 E81 G85 A86 L87T79-I83 WeakPolarHBondContact O-CD1 3.47Å; T79-I83 VanDerWaalsContact O-CG1 3.24Å; T79-I83 WeakPolarHBondContact O-CG1 3.29Å; T79-I83 PolarHBondContact O-N 3.44Å; T79-I83 VanDerWaalsContact O-N 3.09Å; G80-I83 PolarHBondContact O-N 3.02Å; E81-I83 VanDerWaalsContact C-N 3.32Å; E81-I83 PolarHBondContact O-N 3.22Å; I83-G85 PolarHBondContact O-N 2.93Å; I83-A86 PolarHBondContact O-N 3.49Å; I83-L87 HydrophobicContact CG2-CD1 3.97Å; I83-L87 HydrophobicContact CG2-CG 4.48Å; I83-L87 VanDerWaalsContact O-CG 3.3Å; I83-L87 WeakPolarHBondContact O-CG 3.38Å; I83-L87 PolarHBondContact O-N 3.05Å
84G85.9Confident87.3Confident30 Ų3066.3 Ų66.331%0.30938%0.375SS..Hα-helixtrans-62.1-41.5178.700000113.1G80 E81 L87 A88G80-G84 PolarHBondContact O-N 2.84Å; E81-G84 PolarHBondContact O-N 3.22Å; G84-L87 PolarHBondContact O-N 2.92Å; G84-A88 WeakPolarHBondContact O-CB 3.48Å; G84-A88 PolarHBondContact O-N 3.1Å
85G86.3Confident86.9Confident2 Ų269.8 Ų69.82%0.02140%0.396CS..Hα-helixtrans-67.3-40.3177.700000112.6E81 I83 H89 S90E81-G85 WeakPolarHBondContact O-CA 3.3Å; E81-G85 PolarHBondContact O-N 3.28Å; I83-G85 PolarHBondContact O-N 2.93Å; G85-H89 PolarHBondContact O-N 3.35Å; G85-S90 PolarHBondContact O-N 2.91Å
86A86.9Confident86.5Confident64 Ų6467.4 Ų67.453%0.52938%0.384SS..Hα-helixtrans-64.8-45.1174.300000112I82 I83 H89I82-A86 VanDerWaalsContact O-CB 3.29Å; I82-A86 WeakPolarHBondContact O-CB 3.45Å; I82-A86 PolarHBondContact O-N 2.99Å; I83-A86 PolarHBondContact O-N 3.49Å; A86-H89 PolarHBondContact O-N 3.47Å
87L88.9Confident86.2Confident139 Ų13961.5 Ų61.573%0.72836%0.359SS*.Hα-helixtrans-67.8-36.2178.1-69.2174.7000112.7I83 G84I83-L87 HydrophobicContact CG2-CD1 3.97Å; I83-L87 HydrophobicContact CG2-CG 4.48Å; I83-L87 VanDerWaalsContact O-CG 3.3Å; I83-L87 WeakPolarHBondContact O-CG 3.38Å; I83-L87 PolarHBondContact O-N 3.05Å; G84-L87 PolarHBondContact O-N 2.92Å
88A84.1Confident86.1Confident53 Ų5361.6 Ų61.644%0.43837%0.369SS..Hα-helixtrans-85.2-6.9-178.600000114G84 S90 I93G84-A88 WeakPolarHBondContact O-CB 3.48Å; G84-A88 PolarHBondContact O-N 3.1Å; A88-S90 PolarHBondContact O-N 3.27Å; A88-S90 VanDerWaalsContact O-N 3.16Å; A88-I93 HydrophobicContact CB-CD1 3.86Å
89H82.9Confident85.9Confident177 Ų17763.9 Ų63.982%0.81938%0.38SS*.THydrogen-bonded Turntrans47.339.1-170.9-69.8-84.5000113G85 A86G85-H89 PolarHBondContact O-N 3.35Å; A86-H89 PolarHBondContact O-N 3.47Å
90S80.5Confident85.8Confident12 Ų1261 Ų618%0.08436%0.362CS..  trans-106.9114.5-170.3-173.40000112.6G85 A88 A92 I93 M94G85-S90 PolarHBondContact O-N 2.91Å; A88-S90 PolarHBondContact O-N 3.27Å; A88-S90 VanDerWaalsContact O-N 3.16Å; S90-A92 PolarHBondContact O-N 2.96Å; S90-A92 PolarHBondContact OG-N 3.4Å; S90-I93 PolarHBondContact O-N 3.15Å; S90-M94 WeakPolarHBondContact O-CG 3.38Å; S90-M94 PolarHBondContact O-N 3.48Å
91L80.1Confident85.8Confident136 Ų13663.5 Ų63.571%0.71236%0.364SS*.Hα-helixtrans-60.9-28.5173.8-171.368.3000112.7M94 T95L91-M94 PolarHBondContact O-N 3.17Å; L91-T95 PolarHBondContact O-N 3.17Å; L91-T95 VanDerWaalsContact O-N 3.14Å; L91-T95 PolarHBondContact O-OG1 3.31Å
92A78.7Confident85.9Confident34 Ų3464.3 Ų64.328%0.28137%0.371SS..Hα-helixtrans-65.1-45.4178.200000111.3S90 M94 T95 D96S90-A92 PolarHBondContact O-N 2.96Å; S90-A92 PolarHBondContact OG-N 3.4Å; A92-M94 VanDerWaalsContact C-N 3.35Å; A92-T95 PolarHBondContact O-N 3.38Å; A92-D96 PolarHBondContact O-N 2.82Å
93I83.5Confident85.8Confident23 Ų2362.8 Ų62.812%0.11836%0.363CS..Hα-helixtrans-64.8-41.1176.7-58.9171.5000110.5E81 A88 S90 T95 D96 T97 I170 T174E81-I93 HydrophobicContact CB-CG2 4.23Å; E81-I93 WeakPolarHBondContact O-CG2 3.34Å; A88-I93 HydrophobicContact CB-CD1 3.86Å; S90-I93 PolarHBondContact O-N 3.15Å; I93-T95 PolarHBondContact O-N 3.02Å; I93-D96 PolarHBondContact O-N 3.49Å; I93-T97 PolarHBondContact O-N 2.69Å; I93-T97 PolarHBondContact O-OG1 2.85Å; I93-I170 HydrophobicContact CG1-CG2 4.45Å; I93-T174 HydrophobicContact CB-CG2 4.42Å; I93-T174 HydrophobicContact CD1-CG2 4.26Å; I93-T174 HydrophobicContact CG1-CG2 3.38Å
94M83.7Confident85.9Confident118 Ų11860.1 Ų60.158%0.58135%0.348SS*.Hα-helixtrans-62.7-31.3179.4-64-1778800113.1S90 L91 A92 A98S90-M94 WeakPolarHBondContact O-CG 3.38Å; S90-M94 PolarHBondContact O-N 3.48Å; L91-M94 PolarHBondContact O-N 3.17Å; A92-M94 VanDerWaalsContact C-N 3.35Å; M94-A98 PolarHBondContact O-N 2.78Å; M94-A98 VanDerWaalsContact O-N 3.1Å
95T82.3Confident86.2Confident73 Ų7360.3 Ų60.345%0.44835%0.347SS..Hα-helixtrans-70.2-41.5177-570000111.2L91 A92 I93 A98 H99L91-T95 PolarHBondContact O-N 3.17Å; L91-T95 VanDerWaalsContact O-N 3.14Å; L91-T95 PolarHBondContact O-OG1 3.31Å; A92-T95 PolarHBondContact O-N 3.38Å; I93-T95 PolarHBondContact O-N 3.02Å; T95-A98 WeakPolarHBondContact O-CB 3.42Å; T95-A98 PolarHBondContact O-N 3.13Å; T95-H99 PolarHBondContact O-CD2 2.95Å; T95-H99 VanDerWaalsContact O-CD2 3.29Å; T95-H99 PolarHBondContact O-N 2.78Å
96D84.6Confident86.5Confident33 Ų3361.1 Ų61.118%0.17635%0.352CS..Hα-helixtrans-63.5-43.5175.7-15934.1000111.2A92 I93 A98 H99 L100A92-D96 PolarHBondContact O-N 2.82Å; I93-D96 PolarHBondContact O-N 3.49Å; D96-A98 VanDerWaalsContact C-N 3.29Å; D96-A98 PolarHBondContact O-N 3.33Å; D96-H99 WeakPolarHBondContact O-CA 3.31Å; D96-H99 WeakPolarHBondContact O-CB 3.22Å; D96-H99 PolarHBondContact O-N 3.36Å; D96-L100 PolarHBondContact O-N 2.86Å
97T88.1Confident86.7Confident17 Ų1759.7 Ų59.710%0.10433%0.334CS..Hα-helixtrans-57.1-40.1172.5-65.90000112.9M78 E81 I82 I93 H99 L100 L101M78-T97 HydrophobicContact CG-CG2 4.25Å; E81-T97 VanDerWaalsContact CB-OG1 3.28Å; E81-T97 WeakPolarHBondContact CB-OG1 3.4Å; E81-T97 PolarHBondContact OE2-N 3.4Å; E81-T97 PolarHBondContact OE2-OG1 3Å; I82-T97 HydrophobicContact CD1-CG2 4.02Å; I82-T97 HydrophobicContact CG1-CG2 3.35Å; I93-T97 PolarHBondContact O-N 2.69Å; I93-T97 PolarHBondContact O-OG1 2.85Å; T97-H99 VanDerWaalsContact C-N 3.29Å; T97-H99 PolarHBondContact O-N 3.1Å; T97-L100 PolarHBondContact O-N 3.01Å; T97-L101 PolarHBondContact O-N 2.9Å
98A87.5Confident86.9Confident51 Ų5156.9 Ų56.942%0.42132%0.319SS..Hα-helixtrans-64.7-34.8177.700000111.8M94 T95 D96 L101 T102M94-A98 PolarHBondContact O-N 2.78Å; M94-A98 VanDerWaalsContact O-N 3.1Å; T95-A98 WeakPolarHBondContact O-CB 3.42Å; T95-A98 PolarHBondContact O-N 3.13Å; D96-A98 VanDerWaalsContact C-N 3.29Å; D96-A98 PolarHBondContact O-N 3.33Å; A98-L101 PolarHBondContact O-N 2.95Å; A98-T102 PolarHBondContact O-N 3.36Å
99H86.7Confident87.3Confident59 Ų5957 Ų5727%0.27331%0.312SS..Hα-helixtrans-65.5-48.5171.6-74.4-58.1000112T95 D96 T97 L101 T102 D103T95-H99 PolarHBondContact O-CD2 2.95Å; T95-H99 VanDerWaalsContact O-CD2 3.29Å; T95-H99 PolarHBondContact O-N 2.78Å; D96-H99 WeakPolarHBondContact O-CA 3.31Å; D96-H99 WeakPolarHBondContact O-CB 3.22Å; D96-H99 PolarHBondContact O-N 3.36Å; T97-H99 VanDerWaalsContact C-N 3.29Å; T97-H99 PolarHBondContact O-N 3.1Å; H99-L101 PolarHBondContact O-N 3.25Å; H99-T102 PolarHBondContact O-N 3.18Å; H99-T102 PolarHBondContact O-OG1 3.05Å; H99-D103 PolarHBondContact O-N 2.8Å
100L89.7Confident87.7Confident4 Ų450.1 Ų50.12%0.02128%0.284CS..Hα-helixtrans-58.3-36175.9-68.1-176.7000112.3C74 F77 M78 E81 D96 T97 D103 F104 V181 M185C74-L100 PolarHBondContact SG-O 3.11Å; F77-L100 HydrophobicContact CB-CD1 4.38Å; M78-L100 HydrophobicContact CB-CB 4.28Å; M78-L100 HydrophobicContact CB-CD1 4.34Å; M78-L100 HydrophobicContact CG-CB 4.25Å; E81-L100 HydrophobicContact CG-CD1 4.5Å; E81-L100 VanDerWaalsContact OE2-CD1 3.24Å; E81-L100 WeakPolarHBondContact OE2-CD1 3.39Å; D96-L100 PolarHBondContact O-N 2.86Å; T97-L100 PolarHBondContact O-N 3.01Å; L100-D103 PolarHBondContact O-N 3.08Å; L100-F104 WeakPolarHBondContact O-CB 3.23Å; L100-F104 PolarHBondContact O-N 3.01Å; L100-V181 HydrophobicContact CD2-CG1 4.41Å; L100-M185 HydrophobicContact CD2-CE 4.28Å
101L91.2Very high88.3Confident97 Ų9751 Ų5151%0.50829%0.287SS..Hα-helixtrans-62.4-42.7174.4178.864000111.8M78 T97 A98 H99 F104 A105M78-L101 HydrophobicContact SD-CB 4.23Å; M78-L101 HydrophobicContact SD-CD1 4.05Å; T97-L101 PolarHBondContact O-N 2.9Å; A98-L101 PolarHBondContact O-N 2.95Å; H99-L101 PolarHBondContact O-N 3.25Å; L101-F104 PolarHBondContact O-N 3.05Å; L101-A105 WeakPolarHBondContact O-CB 3.32Å; L101-A105 PolarHBondContact O-N 3.48Å
102T90.4Very high88.9Confident37 Ų3749.4 Ų49.423%0.22728%0.279CS..Hα-helixtrans-66.9-38.217755.20000112.4A98 H99 A105 S106 V147A98-T102 PolarHBondContact O-N 3.36Å; H99-T102 PolarHBondContact O-N 3.18Å; H99-T102 PolarHBondContact O-OG1 3.05Å; T102-A105 PolarHBondContact O-N 3.44Å; T102-S106 PolarHBondContact O-N 3.3Å; T102-V147 HydrophobicContact CG2-CG2 3.68Å
103D89.7Confident89.6Confident55 Ų5548.3 Ų48.329%0.29427%0.269SS..Hα-helixtrans-64.4-45.5174.5-68-23.5000110.9H99 L100 A105 S106 F107H99-D103 PolarHBondContact O-N 2.8Å; L100-D103 PolarHBondContact O-N 3.08Å; D103-A105 VanDerWaalsContact C-N 3.34Å; D103-A105 PolarHBondContact O-N 3.46Å; D103-S106 WeakPolarHBondContact O-CB 3.46Å; D103-S106 PolarHBondContact O-N 3.11Å; D103-S106 VanDerWaalsContact O-N 3.13Å; D103-S106 PolarHBondContact O-OG 3.47Å; D103-F107 HydrophobicContact CB-CE2 4.33Å; D103-F107 HydrophobicContact CB-CZ 4.47Å; D103-F107 WeakPolarHBondContact O-CD2 3.28Å; D103-F107 WeakPolarHBondContact O-CG 3.45Å; D103-F107 PolarHBondContact O-N 3.32Å
104F92Very high89.8Confident49 Ų4948.4 Ų48.422%0.21527%0.27CS..Hα-helixtrans-59-43.8175179.9-105.9000112.4L75 M78 L100 L101 S106 F107 L108L75-F104 HydrophobicContact CB-CD2 4.5Å; L75-F104 HydrophobicContact CB-CE2 4.15Å; M78-F104 HydrophobicContact CE-CB 3.41Å; M78-F104 VanDerWaalsContact CE-CB 3.41Å; M78-F104 HydrophobicContact CE-CD1 4.19Å; M78-F104 HydrophobicContact CE-CD2 4.37Å; M78-F104 HydrophobicContact CE-CG 3.75Å; L100-F104 WeakPolarHBondContact O-CB 3.23Å; L100-F104 PolarHBondContact O-N 3.01Å; L101-F104 PolarHBondContact O-N 3.05Å; F104-S106 VanDerWaalsContact C-N 3.31Å; F104-S106 PolarHBondContact O-N 3.22Å; F104-F107 PolarHBondContact O-N 3.18Å; F104-L108 PolarHBondContact O-N 2.57Å
105A92.8Very high90.1Very high34 Ų3447.3 Ų47.328%0.28126%0.263SS..Hα-helixtrans-60.5-41.4175.500000111.5L101 T102 D103 F107 L108 I109 L143L101-A105 WeakPolarHBondContact O-CB 3.32Å; L101-A105 PolarHBondContact O-N 3.48Å; T102-A105 PolarHBondContact O-N 3.44Å; D103-A105 VanDerWaalsContact C-N 3.34Å; D103-A105 PolarHBondContact O-N 3.46Å; A105-F107 PolarHBondContact O-N 3.1Å; A105-L108 PolarHBondContact O-N 2.99Å; A105-I109 VanDerWaalsContact O-CG1 3.3Å; A105-I109 WeakPolarHBondContact O-CG1 3.37Å; A105-I109 PolarHBondContact O-N 3.09Å; A105-L143 HydrophobicContact CB-CD2 4.29Å
106S91.7Very high90.5Very high18 Ų1846.4 Ų46.413%0.12626%0.255CS..Hα-helixtrans-63.2-40.6176.483.30000112.4T102 D103 F104 I109 S110T102-S106 PolarHBondContact O-N 3.3Å; D103-S106 WeakPolarHBondContact O-CB 3.46Å; D103-S106 PolarHBondContact O-N 3.11Å; D103-S106 VanDerWaalsContact O-N 3.13Å; D103-S106 PolarHBondContact O-OG 3.47Å; F104-S106 VanDerWaalsContact C-N 3.31Å; F104-S106 PolarHBondContact O-N 3.22Å; S106-I109 PolarHBondContact O-N 3.36Å; S106-S110 PolarHBondContact O-N 3.14Å; S106-S110 PolarHBondContact O-OG 2.96Å
107F91.4Very high90.6Very high34 Ų3445.4 Ų45.415%0.14925%0.251CS..Hα-helixtrans-66.7-38.3175.4-58.2-31.1000111.9L67 S71 C74 D103 F104 A105 S110 L111 M185L67-F107 HydrophobicContact CD2-CD1 4.45Å; S71-F107 WeakPolarHBondContact OG-CB 3.37Å; C74-F107 HydrophobicContact CB-CD2 4.38Å; C74-F107 HydrophobicContact CB-CE2 4.25Å; D103-F107 HydrophobicContact CB-CE2 4.33Å; D103-F107 HydrophobicContact CB-CZ 4.47Å; D103-F107 WeakPolarHBondContact O-CD2 3.28Å; D103-F107 WeakPolarHBondContact O-CG 3.45Å; D103-F107 PolarHBondContact O-N 3.32Å; F104-F107 PolarHBondContact O-N 3.18Å; A105-F107 PolarHBondContact O-N 3.1Å; F107-S110 WeakPolarHBondContact O-CB 3.41Å; F107-S110 PolarHBondContact O-N 3.25Å; F107-L111 WeakPolarHBondContact O-CB 3.42Å; F107-L111 WeakPolarHBondContact O-CG 3.44Å; F107-L111 PolarHBondContact O-N 3Å; F107-M185 HydrophobicContact CE2-SD 4.19Å
108L93Very high90.5Very high81 Ų8148.2 Ų48.242%0.42427%0.271SS..Hα-helixtrans-65.6-43176.4-176.162.5000111.7F104 A105 S110 L111 L112F104-L108 PolarHBondContact O-N 2.57Å; A105-L108 PolarHBondContact O-N 2.99Å; L108-S110 VanDerWaalsContact C-N 3.3Å; L108-S110 PolarHBondContact O-N 3.5Å; L108-L111 PolarHBondContact O-N 2.71Å; L108-L112 HydrophobicContact CG-CD1 4.3Å; L108-L112 WeakPolarHBondContact O-CB 3.29Å; L108-L112 WeakPolarHBondContact O-CG 3.48Å; L108-L112 PolarHBondContact O-N 3.36Å
109I93.1Very high90.4Very high55 Ų5551.7 Ų51.728%0.28227%0.273SS..Hα-helixtrans-57.3-46.5172.9-69.1165.4000110A105 S106 L111 L112 A113 A139 L143A105-I109 VanDerWaalsContact O-CG1 3.3Å; A105-I109 WeakPolarHBondContact O-CG1 3.37Å; A105-I109 PolarHBondContact O-N 3.09Å; S106-I109 PolarHBondContact O-N 3.36Å; I109-L111 PolarHBondContact O-N 2.98Å; I109-L112 PolarHBondContact O-N 3.48Å; I109-A113 WeakPolarHBondContact O-CB 3.48Å; I109-A113 PolarHBondContact O-N 3.39Å; I109-A139 HydrophobicContact CG2-CB 4.06Å; I109-L143 HydrophobicContact CD1-CD2 4.33Å
110S91.7Very high90.2Very high33 Ų3354 Ų5423%0.23129%0.294CS..Hα-helixtrans-62.6-41.1178.3-59.20000112.5S106 F107 L108 A113 L114S106-S110 PolarHBondContact O-N 3.14Å; S106-S110 PolarHBondContact O-OG 2.96Å; F107-S110 WeakPolarHBondContact O-CB 3.41Å; F107-S110 PolarHBondContact O-N 3.25Å; L108-S110 VanDerWaalsContact C-N 3.3Å; L108-S110 PolarHBondContact O-N 3.5Å; S110-A113 PolarHBondContact O-N 3.1Å; S110-L114 WeakPolarHBondContact O-CG 3.47Å; S110-L114 PolarHBondContact O-N 3.48Å
111L91.7Very high90Very high31 Ų3157.7 Ų57.716%0.16232%0.32CS..Hα-helixtrans-65.9-42.1175.4-78.7172.6000112.5R64 L67 I68 S71 F107 L108 I109 A113 L114 F115R64-L111 HydrophobicContact CG-CD2 4.45Å; L67-L111 HydrophobicContact CB-CD2 3.57Å; L67-L111 HydrophobicContact CB-CG 3.99Å; L67-L111 HydrophobicContact CD1-CD2 4.45Å; I68-L111 HydrophobicContact CG1-CD1 4.32Å; I68-L111 HydrophobicContact CG1-CD2 3.8Å; S71-L111 WeakPolarHBondContact OG-CD1 3.34Å; F107-L111 WeakPolarHBondContact O-CB 3.42Å; F107-L111 WeakPolarHBondContact O-CG 3.44Å; F107-L111 PolarHBondContact O-N 3Å; L108-L111 PolarHBondContact O-N 2.71Å; I109-L111 PolarHBondContact O-N 2.98Å; L111-A113 VanDerWaalsContact C-N 3.34Å; L111-L114 PolarHBondContact O-N 3.29Å; L111-F115 VanDerWaalsContact O-CB 3.28Å; L111-F115 WeakPolarHBondContact O-CB 3.27Å; L111-F115 PolarHBondContact O-N 3.12Å
112L93.7Very high89.9Confident102 Ų10256 Ų5653%0.53431%0.314SS..Hα-helixtrans-64.7-40.1175.2-73.1172.8000111.2L108 I109 F115 L116L108-L112 HydrophobicContact CG-CD1 4.3Å; L108-L112 WeakPolarHBondContact O-CB 3.29Å; L108-L112 WeakPolarHBondContact O-CG 3.48Å; L108-L112 PolarHBondContact O-N 3.36Å; I109-L112 PolarHBondContact O-N 3.48Å; L112-F115 PolarHBondContact O-N 3.48Å; L112-L116 VanDerWaalsContact O-CB 3.26Å; L112-L116 WeakPolarHBondContact O-CB 3.25Å; L112-L116 PolarHBondContact O-N 3.05Å
113A92.5Very high89.8Confident10 Ų1064.8 Ų64.88%0.08335%0.349CS..Hα-helixtrans-62.3-47.5176.300000111.7I109 S110 L111 L116 A117 A132I109-A113 WeakPolarHBondContact O-CB 3.48Å; I109-A113 PolarHBondContact O-N 3.39Å; S110-A113 PolarHBondContact O-N 3.1Å; L111-A113 VanDerWaalsContact C-N 3.34Å; A113-L116 PolarHBondContact O-N 3.45Å; A113-A117 VanDerWaalsContact O-CB 3.28Å; A113-A117 WeakPolarHBondContact O-CB 3.35Å; A113-A117 PolarHBondContact O-N 3.39Å; A113-A132 WeakPolarHBondContact CB-O 3.45Å
114L89Confident89.8Confident26 Ų2673.5 Ų73.514%0.13638%0.377CS..Hα-helixtrans-63.8-41.7174.7-75.3175.7000112.5A63 L67 S110 L111 L116 A117 S118A63-L114 HydrophobicContact CB-CD1 4.36Å; L67-L114 HydrophobicContact CD1-CD1 3.4Å; L67-L114 VanDerWaalsContact CD1-CD1 3.4Å; S110-L114 WeakPolarHBondContact O-CG 3.47Å; S110-L114 PolarHBondContact O-N 3.48Å; L111-L114 PolarHBondContact O-N 3.29Å; L114-L116 VanDerWaalsContact C-N 3.32Å; L114-L116 PolarHBondContact O-N 3.28Å; L114-A117 PolarHBondContact O-N 2.97Å; L114-S118 WeakPolarHBondContact O-CB 3.32Å; L114-S118 PolarHBondContact O-N 3.45Å
115F90Very high89.6Confident95 Ų9574.9 Ų74.942%0.41739%0.386SS..Hα-helixtrans-61.3-44.2176.2173.4-108.7000111.2L111 L112 S118L111-F115 VanDerWaalsContact O-CB 3.28Å; L111-F115 WeakPolarHBondContact O-CB 3.27Å; L111-F115 PolarHBondContact O-N 3.12Å; L112-F115 PolarHBondContact O-N 3.48Å; F115-S118 PolarHBondContact O-N 2.99Å; F115-S118 PolarHBondContact O-OG 2.91Å
116L90.4Very high89.4Confident54 Ų5477.6 Ų77.628%0.28340%0.402SS..Hα-helixtrans-67-43.1178.4-166.656.9000111L112 A113 L114 S118 R119 W129 A132L112-L116 VanDerWaalsContact O-CB 3.26Å; L112-L116 WeakPolarHBondContact O-CB 3.25Å; L112-L116 PolarHBondContact O-N 3.05Å; A113-L116 PolarHBondContact O-N 3.45Å; L114-L116 VanDerWaalsContact C-N 3.32Å; L114-L116 PolarHBondContact O-N 3.28Å; L116-S118 PolarHBondContact O-N 3.49Å; L116-R119 WeakPolarHBondContact O-CB 3.48Å; L116-R119 PolarHBondContact O-N 3.48Å; L116-R119 VanDerWaalsContact O-N 3.1Å; L116-W129 HydrophobicContact CD1-CD2 3.81Å; L116-W129 HydrophobicContact CD1-CE3 3.6Å; L116-W129 HydrophobicContact CD1-CG 4.36Å; L116-W129 HydrophobicContact CD1-CH2 4.38Å; L116-W129 HydrophobicContact CD1-CZ3 3.9Å; L116-W129 HydrophobicContact CD2-CE3 3.57Å; L116-W129 HydrophobicContact CD2-CZ3 3.68Å; L116-W129 HydrophobicContact CG-CB 4.37Å; L116-W129 HydrophobicContact CG-CD2 3.94Å; L116-W129 HydrophobicContact CG-CE3 3.42Å; L116-W129 VanDerWaalsContact CG-CE3 3.42Å; L116-W129 HydrophobicContact CG-CG 4.38Å; L116-W129 HydrophobicContact CG-CZ3 3.96Å; L116-W129 WeakPolarHBondContact O-CB 3.43Å; L116-A132 HydrophobicContact CB-CB 3.98Å; L116-A132 HydrophobicContact CD2-CB 3.87Å; L116-A132 HydrophobicContact CG-CB 3.92Å
117A87.1Confident89Confident11 Ų1181.9 Ų81.99%0.09142%0.419CS..Hα-helixtrans-62.8-26.7176.300000113.9A113 L114 R119 W129 H130 E133A113-A117 VanDerWaalsContact O-CB 3.28Å; A113-A117 WeakPolarHBondContact O-CB 3.35Å; A113-A117 PolarHBondContact O-N 3.39Å; L114-A117 PolarHBondContact O-N 2.97Å; A117-R119 VanDerWaalsContact C-N 3.3Å; A117-R119 PolarHBondContact O-N 3.28Å; A117-W129 WeakPolarHBondContact CA-O 3.29Å; A117-H130 PolarHBondContact O-ND1 3.31Å; A117-E133 HydrophobicContact CB-CB 4.46Å
118S84.6Confident88.9Confident77 Ų7780.6 Ų80.654%0.53842%0.416SS..THydrogen-bonded Turntrans-78.2-8.5175.875.90000114.6L114 F115 L116L114-S118 WeakPolarHBondContact O-CB 3.32Å; L114-S118 PolarHBondContact O-N 3.45Å; F115-S118 PolarHBondContact O-N 2.99Å; F115-S118 PolarHBondContact O-OG 2.91Å; L116-S118 PolarHBondContact O-N 3.49Å
119R85.9Confident88.6Confident123 Ų12380.7 Ų80.746%0.46441%0.41SS..SBendtrans-70.7144.8179.4-68.5-160.7176.1-163.6-1.6111.4L116 A117L116-R119 WeakPolarHBondContact O-CB 3.48Å; L116-R119 PolarHBondContact O-N 3.48Å; L116-R119 VanDerWaalsContact O-N 3.1Å; A117-R119 VanDerWaalsContact C-N 3.3Å; A117-R119 PolarHBondContact O-N 3.28Å
120P83.5Confident88.3Confident108 Ų10880.1 Ų80.170%0.70141%0.406SS*.PPolyproline II helixtrans-61.7158.3175.227.9-35.3000111.2
121S84.9Confident88.2Confident81 Ų8182 Ų8257%0.56641%0.408SS*.PPolyproline II helixtrans-60.9146.8174.455.40000111.5S126S121-S126 VanDerWaalsContact CB-O 3.32Å; S121-S126 WeakPolarHBondContact CB-O 3.48Å
122T88.9Confident88.2Confident62 Ų6281.3 Ų81.338%0.3841%0.407SS..BIsolated β-bridgetrans-124.1160.7-179.965.80000109R124 M125 S126T122-R124 PolarHBondContact O-N 3Å; T122-R124 VanDerWaalsContact O-N 3.09Å; T122-M125 PolarHBondContact N-O 3.12Å; T122-M125 VanDerWaalsContact N-O 3.14Å; T122-M125 CarbonylContact O-C 3.55Å; T122-M125 PolarHBondContact O-N 3.08Å; T122-M125 PolarHBondContact OG1-N 3.33Å; T122-S126 PolarHBondContact O-N 3.32Å
123K88Confident88Confident221 Ų22179.5 Ų79.596%0.96140%0.396SS*.THydrogen-bonded Turntrans-58-26.9178.5-66.4-175.2179-177.90113.9
124R89.5Confident87.9Confident238 Ų23879.3 Ų79.390%0.89839%0.394SS*.THydrogen-bonded Turntrans-83.2-28.6175.3-68.7-172.970.5-176.51.7113.3T122T122-R124 PolarHBondContact O-N 3Å; T122-R124 VanDerWaalsContact O-N 3.09Å
125M89Confident88.1Confident79 Ų7982.1 Ų82.139%0.38941%0.412SS..BIsolated β-bridgetrans-123.979.6180-62.3-63.6-70.700108.3T122 F127 G128 W129T122-M125 PolarHBondContact N-O 3.12Å; T122-M125 VanDerWaalsContact N-O 3.14Å; T122-M125 CarbonylContact O-C 3.55Å; T122-M125 PolarHBondContact O-N 3.08Å; T122-M125 PolarHBondContact OG1-N 3.33Å; M125-F127 PolarHBondContact O-N 2.79Å; M125-G128 WeakPolarHBondContact O-CA 3.4Å; M125-G128 PolarHBondContact O-N 2.9Å; M125-W129 HydrophobicContact CG-CZ2 4.22Å
126S87Confident88.3Confident90 Ų9077.8 Ų77.863%0.62939%0.394SS*.THydrogen-bonded Turntrans-62.8-41.1-170.749.30000113.1S121 T122 G128S121-S126 VanDerWaalsContact CB-O 3.32Å; S121-S126 WeakPolarHBondContact CB-O 3.48Å; T122-S126 PolarHBondContact O-N 3.32Å; S126-G128 PolarHBondContact O-N 3.36Å
127F84Confident88.3Confident108 Ų10877 Ų7747%0.47440%0.396SS..THydrogen-bonded Turntrans-74.5-1.9173.2-68.1-71000113.8M125 H130 L306M125-F127 PolarHBondContact O-N 2.79Å; F127-H130 PolarHBondContact O-CD2 2.86Å; F127-L306 HydrophobicContact CB-CD2 4.47Å; F127-L306 HydrophobicContact CD1-CD1 4.22Å; F127-L306 HydrophobicContact CD1-CD2 4.4Å; F127-L306 HydrophobicContact CG-CD2 4.3Å
128G88.5Confident88.6Confident8 Ų877.6 Ų77.68%0.08240%0.397CS..  trans82.9-171.4-172.600000113.9M125 S126 H130M125-G128 WeakPolarHBondContact O-CA 3.4Å; M125-G128 PolarHBondContact O-N 2.9Å; S126-G128 PolarHBondContact O-N 3.36Å; G128-H130 VanDerWaalsContact C-N 3.3Å; G128-H130 PolarHBondContact O-N 3.15Å
129W88.6Confident89Confident82 Ų8275.8 Ų75.831%0.31139%0.387SS..SBendtrans-94.318.7-173.7-73.785.8000112.9L116 A117 M125 R131 A132L116-W129 HydrophobicContact CD1-CD2 3.81Å; L116-W129 HydrophobicContact CD1-CE3 3.6Å; L116-W129 HydrophobicContact CD1-CG 4.36Å; L116-W129 HydrophobicContact CD1-CH2 4.38Å; L116-W129 HydrophobicContact CD1-CZ3 3.9Å; L116-W129 HydrophobicContact CD2-CE3 3.57Å; L116-W129 HydrophobicContact CD2-CZ3 3.68Å; L116-W129 HydrophobicContact CG-CB 4.37Å; L116-W129 HydrophobicContact CG-CD2 3.94Å; L116-W129 HydrophobicContact CG-CE3 3.42Å; L116-W129 VanDerWaalsContact CG-CE3 3.42Å; L116-W129 HydrophobicContact CG-CG 4.38Å; L116-W129 HydrophobicContact CG-CZ3 3.96Å; L116-W129 WeakPolarHBondContact O-CB 3.43Å; A117-W129 WeakPolarHBondContact CA-O 3.29Å; M125-W129 HydrophobicContact CG-CZ2 4.22Å; W129-R131 VanDerWaalsContact C-N 3.28Å; W129-R131 PolarHBondContact O-N 3.2Å; W129-A132 WeakPolarHBondContact O-CB 3.26Å; W129-A132 PolarHBondContact O-N 3.26Å
130H85.5Confident89.3Confident44 Ų4470.6 Ų70.620%0.20437%0.369CS..THydrogen-bonded Turntrans-58.2-36-172.7-62.6-45.1000113.6A117 F127 G128 A132 E133 T307 K310A117-H130 PolarHBondContact O-ND1 3.31Å; F127-H130 PolarHBondContact O-CD2 2.86Å; G128-H130 VanDerWaalsContact C-N 3.3Å; G128-H130 PolarHBondContact O-N 3.15Å; H130-A132 PolarHBondContact O-N 3.1Å; H130-A132 VanDerWaalsContact O-N 3.14Å; H130-E133 PolarHBondContact O-N 3.38Å; H130-T307 HydrophobicContact CB-CG2 3.59Å; H130-T307 VanDerWaalsContact O-CG2 3.31Å; H130-T307 WeakPolarHBondContact O-CG2 3.5Å; H130-K310 PolarHBondContact CE1-NZ 3.05Å; H130-K310 PolarHBondContact NE2-NZ 2.98Å
131R90.4Very high89.8Confident72 Ų7265.8 Ų65.827%0.27234%0.338SS..THydrogen-bonded Turntrans-65.1-14.4175.6-68.9-172.3-177.7-168.68.6114.1W129 E133 V134 V135 E274 L306W129-R131 VanDerWaalsContact C-N 3.28Å; W129-R131 PolarHBondContact O-N 3.2Å; R131-E133 PolarHBondContact O-N 3.36Å; R131-V134 PolarHBondContact O-N 2.97Å; R131-V134 VanDerWaalsContact O-N 3.16Å; R131-V135 WeakPolarHBondContact O-CG2 3.37Å; R131-V135 PolarHBondContact O-N 3.2Å; R131-V135 VanDerWaalsContact O-N 3.11Å; R131-E274 IonicContact CZ-OE1 3.84Å; R131-E274 IonicContact NH1-OE1 3.56Å; R131-E274 PolarHBondContact NH1-OE1 3.32Å; R131-E274 VanDerWaalsContact NH1-OE1 3.11Å; R131-E274 IonicContact NH2-OE1 2.9Å; R131-E274 PolarHBondContact NH2-OE1 3.22Å; R131-L306 WeakPolarHBondContact CG-O 3.28Å
132A91.2Very high90.2Very high16 Ų1667 Ų6713%0.13234%0.338CS..Hα-helixtrans-60.2-31.3176.600000112.4A113 L116 W129 H130 V135 G136A113-A132 WeakPolarHBondContact CB-O 3.45Å; L116-A132 HydrophobicContact CB-CB 3.98Å; L116-A132 HydrophobicContact CD2-CB 3.87Å; L116-A132 HydrophobicContact CG-CB 3.92Å; W129-A132 WeakPolarHBondContact O-CB 3.26Å; W129-A132 PolarHBondContact O-N 3.26Å; H130-A132 PolarHBondContact O-N 3.1Å; H130-A132 VanDerWaalsContact O-N 3.14Å; A132-V135 PolarHBondContact O-N 3.3Å; A132-G136 PolarHBondContact O-N 3.23Å
133E88.7Confident90.4Very high64 Ų6466.1 Ų66.130%0.29933%0.33SS..Hα-helixtrans-58.9-49.1174.1-174.2-175.216600111.3A117 H130 R131 V135 G136 A137A117-E133 HydrophobicContact CB-CB 4.46Å; H130-E133 PolarHBondContact O-N 3.38Å; R131-E133 PolarHBondContact O-N 3.36Å; E133-V135 VanDerWaalsContact C-N 3.35Å; E133-V135 PolarHBondContact O-N 3.07Å; E133-G136 PolarHBondContact O-N 3.22Å; E133-A137 PolarHBondContact O-N 3.49Å
134V92Very high90.6Very high7 Ų758.8 Ų58.84%0.04230%0.301CS..Hα-helixtrans-64-41.6179.6-1770000111R131 G136 A137 L138 A268 V271 L272R131-V134 PolarHBondContact O-N 2.97Å; R131-V134 VanDerWaalsContact O-N 3.16Å; V134-G136 VanDerWaalsContact C-N 3.34Å; V134-G136 PolarHBondContact O-N 3.13Å; V134-A137 PolarHBondContact O-N 2.84Å; V134-L138 HydrophobicContact CG1-CD1 4.36Å; V134-L138 WeakPolarHBondContact O-CG 3.39Å; V134-L138 PolarHBondContact O-N 3.13Å; V134-A268 HydrophobicContact CG1-CB 3.75Å; V134-A268 WeakPolarHBondContact CG1-O 3.48Å; V134-V271 HydrophobicContact CG1-CB 4.26Å; V134-V271 HydrophobicContact CG2-CB 4.22Å; V134-V271 HydrophobicContact CG2-CG1 3.8Å; V134-L272 HydrophobicContact CG1-CD2 4.37Å; V134-L272 HydrophobicContact CG1-CG 4.2Å
135V92.9Very high90.8Very high84 Ų8451.8 Ų51.851%0.50927%0.274SS..Hα-helixtrans-63.5-41.1176.1175.60000111.1R131 A132 E133 L138 A139R131-V135 WeakPolarHBondContact O-CG2 3.37Å; R131-V135 PolarHBondContact O-N 3.2Å; R131-V135 VanDerWaalsContact O-N 3.11Å; A132-V135 PolarHBondContact O-N 3.3Å; E133-V135 VanDerWaalsContact C-N 3.35Å; E133-V135 PolarHBondContact O-N 3.07Å; V135-L138 PolarHBondContact O-N 3.31Å; V135-A139 WeakPolarHBondContact O-CB 3.5Å; V135-A139 PolarHBondContact O-N 3.36Å
136G92.8Very high91.1Very high5 Ų553.1 Ų53.15%0.05228%0.283CS..Hα-helixtrans-64-40.4174.800000113.1A132 E133 V134 A139 S140A132-G136 PolarHBondContact O-N 3.23Å; E133-G136 PolarHBondContact O-N 3.22Å; V134-G136 VanDerWaalsContact C-N 3.34Å; V134-G136 PolarHBondContact O-N 3.13Å; G136-A139 PolarHBondContact O-N 3.24Å; G136-S140 WeakPolarHBondContact O-CB 3.45Å; G136-S140 PolarHBondContact O-N 2.87Å; G136-S140 PolarHBondContact O-OG 3.39Å
137A90.8Very high91.3Very high38 Ų3850.1 Ų50.131%0.31426%0.26SS..Hα-helixtrans-62.7-44.9174.500000111.5E133 V134 S140 V141E133-A137 PolarHBondContact O-N 3.49Å; V134-A137 PolarHBondContact O-N 2.84Å; A137-S140 PolarHBondContact O-N 2.96Å; A137-V141 WeakPolarHBondContact O-CG2 3.45Å; A137-V141 PolarHBondContact O-N 2.93Å
138L94Very high91.8Very high22 Ų2246.1 Ų46.112%0.11525%0.245CC..Hα-helixtrans-61.7-45.7175.5-74.3168.9000112.4V134 V135 S140 V141 L142 L265 A268 L272V134-L138 HydrophobicContact CG1-CD1 4.36Å; V134-L138 WeakPolarHBondContact O-CG 3.39Å; V134-L138 PolarHBondContact O-N 3.13Å; V135-L138 PolarHBondContact O-N 3.31Å; L138-S140 VanDerWaalsContact C-N 3.25Å; L138-S140 PolarHBondContact O-N 3.35Å; L138-V141 PolarHBondContact O-N 3.46Å; L138-L142 VanDerWaalsContact O-CG 3.31Å; L138-L142 WeakPolarHBondContact O-CG 3.32Å; L138-L142 PolarHBondContact O-N 2.85Å; L138-L265 HydrophobicContact CD2-CD1 3.42Å; L138-L265 VanDerWaalsContact CD2-CD1 3.42Å; L138-A268 HydrophobicContact CD1-CB 4.15Å; L138-A268 HydrophobicContact CD2-CB 3.52Å; L138-A268 HydrophobicContact CG-CB 3.63Å; L138-L272 HydrophobicContact CD1-CD1 3.27Å; L138-L272 HydrophobicContact CD1-CG 4.09Å
139A93.6Very high92Very high40 Ų4047.7 Ų47.733%0.33126%0.261SS..Hα-helixtrans-58.8-39.8176.200000111.7I109 V135 G136 L142 L143I109-A139 HydrophobicContact CG2-CB 4.06Å; V135-A139 WeakPolarHBondContact O-CB 3.5Å; V135-A139 PolarHBondContact O-N 3.36Å; G136-A139 PolarHBondContact O-N 3.24Å; A139-L142 PolarHBondContact O-N 3.34Å; A139-L143 WeakPolarHBondContact O-CB 3.28Å; A139-L143 PolarHBondContact O-N 3.49Å
140S92.4Very high92.2Very high13 Ų1347.9 Ų47.99%0.09127%0.268CS..Hα-helixtrans-67.3-42.6176.9-55.60000112.1G136 A137 L138 L143 I144G136-S140 WeakPolarHBondContact O-CB 3.45Å; G136-S140 PolarHBondContact O-N 2.87Å; G136-S140 PolarHBondContact O-OG 3.39Å; A137-S140 PolarHBondContact O-N 2.96Å; L138-S140 VanDerWaalsContact C-N 3.25Å; L138-S140 PolarHBondContact O-N 3.35Å; S140-L143 WeakPolarHBondContact O-CB 3.3Å; S140-L143 PolarHBondContact O-N 3.44Å; S140-I144 WeakPolarHBondContact O-CG1 3.38Å; S140-I144 PolarHBondContact O-N 3.26Å
141V93.5Very high92.5Very high7 Ų748.5 Ų48.54%0.04227%0.272CS..Hα-helixtrans-62.8-43.1175.1171.20000111.5A137 L138 L143 I144 W145 I264 L265A137-V141 WeakPolarHBondContact O-CG2 3.45Å; A137-V141 PolarHBondContact O-N 2.93Å; L138-V141 PolarHBondContact O-N 3.46Å; V141-L143 VanDerWaalsContact C-N 3.32Å; V141-L143 PolarHBondContact O-N 3.34Å; V141-I144 WeakPolarHBondContact O-CB 3.45Å; V141-I144 PolarHBondContact O-N 3.33Å; V141-W145 PolarHBondContact O-N 3.21Å; V141-I264 HydrophobicContact CG2-CB 4.36Å; V141-I264 HydrophobicContact CG2-CG2 3.88Å; V141-L265 HydrophobicContact CG1-CB 4.44Å
142L93.6Very high92.6Very high108 Ų10846.9 Ų46.957%0.56527%0.27SS*.Hα-helixtrans-63.9-37.5176.5-69.7174.4000112L138 A139 W145 L146L138-L142 VanDerWaalsContact O-CG 3.31Å; L138-L142 WeakPolarHBondContact O-CG 3.32Å; L138-L142 PolarHBondContact O-N 2.85Å; A139-L142 PolarHBondContact O-N 3.34Å; L142-W145 PolarHBondContact O-N 3.04Å; L142-L146 WeakPolarHBondContact O-CB 3.34Å; L142-L146 PolarHBondContact O-N 2.83Å
143L92.3Very high92.7Very high42 Ų4253.4 Ų53.422%0.2229%0.292CS..Hα-helixtrans-63.4-43.2173.6-17664.9000111.4A105 I109 A139 S140 V141 W145 L146 V147A105-L143 HydrophobicContact CB-CD2 4.29Å; I109-L143 HydrophobicContact CD1-CD2 4.33Å; A139-L143 WeakPolarHBondContact O-CB 3.28Å; A139-L143 PolarHBondContact O-N 3.49Å; S140-L143 WeakPolarHBondContact O-CB 3.3Å; S140-L143 PolarHBondContact O-N 3.44Å; V141-L143 VanDerWaalsContact C-N 3.32Å; V141-L143 PolarHBondContact O-N 3.34Å; L143-W145 VanDerWaalsContact C-N 3.32Å; L143-W145 PolarHBondContact O-N 2.98Å; L143-L146 WeakPolarHBondContact O-CB 3.41Å; L143-L146 PolarHBondContact O-N 3.4Å; L143-V147 WeakPolarHBondContact O-CG2 3.42Å; L143-V147 PolarHBondContact O-N 3.27Å
144I91.9Very high92.7Very high68 Ų6854.1 Ų54.135%0.34930%0.298SS..Hα-helixtrans-59.7-43.6175-68164.3000110.8S140 V141 V147 T148 V257 T261S140-I144 WeakPolarHBondContact O-CG1 3.38Å; S140-I144 PolarHBondContact O-N 3.26Å; V141-I144 WeakPolarHBondContact O-CB 3.45Å; V141-I144 PolarHBondContact O-N 3.33Å; I144-V147 PolarHBondContact O-N 3.14Å; I144-T148 VanDerWaalsContact O-CB 3.28Å; I144-T148 WeakPolarHBondContact O-CB 3.42Å; I144-T148 PolarHBondContact O-N 2.92Å; I144-T148 PolarHBondContact O-OG1 3.37Å; I144-V257 HydrophobicContact CG2-CG1 3.51Å; I144-T261 HydrophobicContact CG2-CG2 4.22Å
145W94.5Very high92.5Very high90 Ų9053.9 Ų53.934%0.34130%0.297SS..Hα-helixtrans-65.4-39177.9-80.128.8000112.4V141 L142 L143 T148 G149 L258 T261 L262 L265V141-W145 PolarHBondContact O-N 3.21Å; L142-W145 PolarHBondContact O-N 3.04Å; L143-W145 VanDerWaalsContact C-N 3.32Å; L143-W145 PolarHBondContact O-N 2.98Å; W145-T148 PolarHBondContact O-N 2.76Å; W145-G149 PolarHBondContact O-N 2.83Å; W145-L258 HydrophobicContact CD2-CD1 4.18Å; W145-L258 VanDerWaalsContact CE2-CD1 3.45Å; W145-L258 HydrophobicContact CH2-CD1 3.82Å; W145-L258 HydrophobicContact CZ2-CD1 3.26Å; W145-L258 HydrophobicContact CZ3-CD1 4.45Å; W145-T261 PolarHBondContact NE1-OG1 2.68Å; W145-L262 HydrophobicContact CH2-CD2 3.83Å; W145-L262 HydrophobicContact CZ2-CD2 3.69Å; W145-L262 HydrophobicContact CZ2-CG 4.15Å; W145-L265 HydrophobicContact CH2-CD2 4.06Å; W145-L265 HydrophobicContact CZ2-CD2 4.14Å
146L94.1Very high92.4Very high107 Ų10752.6 Ų52.656%0.5629%0.289SS*.Hα-helixtrans-60.5-51.3174.4178.464.6000110.9L142 L143 T148 G149 I150L142-L146 WeakPolarHBondContact O-CB 3.34Å; L142-L146 PolarHBondContact O-N 2.83Å; L143-L146 WeakPolarHBondContact O-CB 3.41Å; L143-L146 PolarHBondContact O-N 3.4Å; L146-T148 PolarHBondContact O-N 2.76Å; L146-G149 PolarHBondContact O-N 3.33Å; L146-I150 HydrophobicContact CD1-CD1 4.38Å; L146-I150 HydrophobicContact CG-CD1 4.21Å; L146-I150 WeakPolarHBondContact O-CG1 3.28Å; L146-I150 PolarHBondContact O-N 3.11Å
147V92.2Very high92.2Very high27 Ų2755 Ų5516%0.16430%0.3CS..Hα-helixtrans-62.1-43.7178.7174.90000111.2T102 L143 I144 G149 I150 L151T102-V147 HydrophobicContact CG2-CG2 3.68Å; L143-V147 WeakPolarHBondContact O-CG2 3.42Å; L143-V147 PolarHBondContact O-N 3.27Å; I144-V147 PolarHBondContact O-N 3.14Å; V147-G149 PolarHBondContact O-N 2.88Å; V147-I150 PolarHBondContact O-N 3.46Å; V147-L151 PolarHBondContact O-N 3.24Å
148T93.1Very high91.9Very high24 Ų2457.4 Ų57.415%0.14730%0.301CS..Hα-helixtrans-61.5-43.5176.5-56.50000111.1I144 W145 L146 I150 L151 V152I144-T148 VanDerWaalsContact O-CB 3.28Å; I144-T148 WeakPolarHBondContact O-CB 3.42Å; I144-T148 PolarHBondContact O-N 2.92Å; I144-T148 PolarHBondContact O-OG1 3.37Å; W145-T148 PolarHBondContact O-N 2.76Å; L146-T148 PolarHBondContact O-N 2.76Å; T148-I150 VanDerWaalsContact C-N 3.34Å; T148-I150 PolarHBondContact O-N 2.95Å; T148-L151 PolarHBondContact O-N 3.46Å; T148-V152 HydrophobicContact CG2-CG2 4.48Å; T148-V152 WeakPolarHBondContact O-CG2 3.41Å; T148-V152 PolarHBondContact O-N 3.19Å
149G94.4Very high91.5Very high41 Ų4159.4 Ų59.442%0.42331%0.311SS..Hα-helixtrans-60.6-41.3175.600000112.6W145 L146 V147 V152 Y153W145-G149 PolarHBondContact O-N 2.83Å; L146-G149 PolarHBondContact O-N 3.33Å; V147-G149 PolarHBondContact O-N 2.88Å; G149-V152 PolarHBondContact O-N 3.01Å; G149-Y153 WeakPolarHBondContact O-CB 3.46Å; G149-Y153 PolarHBondContact O-N 3.48Å
150I92.1Very high91.2Very high87 Ų8763.1 Ų63.145%0.44632%0.324SS..Hα-helixtrans-62.6-46.3174.3-66.7164.7000110.5L146 V147 T148 V152 Y153 L154L146-I150 HydrophobicContact CD1-CD1 4.38Å; L146-I150 HydrophobicContact CG-CD1 4.21Å; L146-I150 WeakPolarHBondContact O-CG1 3.28Å; L146-I150 PolarHBondContact O-N 3.11Å; V147-I150 PolarHBondContact O-N 3.46Å; T148-I150 VanDerWaalsContact C-N 3.34Å; T148-I150 PolarHBondContact O-N 2.95Å; I150-V152 PolarHBondContact O-N 3.14Å; I150-Y153 PolarHBondContact O-N 3.21Å; I150-L154 HydrophobicContact CG2-CD1 4.08Å; I150-L154 HydrophobicContact CG2-CG 4.42Å; I150-L154 WeakPolarHBondContact O-CG 3.04Å; I150-L154 PolarHBondContact O-N 2.94Å
151L90.9Very high90.8Very high56 Ų5668.6 Ų68.629%0.29335%0.348SS..Hα-helixtrans-60.9-44.6178-77.4-179.2000112.7V147 T148 L154 A155 T250V147-L151 PolarHBondContact O-N 3.24Å; T148-L151 PolarHBondContact O-N 3.46Å; L151-L154 PolarHBondContact O-N 3.08Å; L151-A155 WeakPolarHBondContact O-CB 3.26Å; L151-A155 PolarHBondContact O-N 3.43Å; L151-T250 HydrophobicContact CB-CG2 4.23Å
152V93.5Very high89.9Confident39 Ų3973.8 Ų73.824%0.23638%0.375CS..Hα-helixtrans-62-44.6175.91700000110.8T148 G149 I150 L154 A155 V156 F251 S254T148-V152 HydrophobicContact CG2-CG2 4.48Å; T148-V152 WeakPolarHBondContact O-CG2 3.41Å; T148-V152 PolarHBondContact O-N 3.19Å; G149-V152 PolarHBondContact O-N 3.01Å; I150-V152 PolarHBondContact O-N 3.14Å; V152-L154 PolarHBondContact O-N 2.9Å; V152-A155 WeakPolarHBondContact O-CB 3.44Å; V152-A155 PolarHBondContact O-N 3.35Å; V152-V156 WeakPolarHBondContact O-CG2 3.4Å; V152-V156 PolarHBondContact O-N 3Å; V152-F251 HydrophobicContact CG1-CD1 4.27Å; V152-F251 HydrophobicContact CG1-CE1 3.81Å; V152-S254 VanDerWaalsContact CG2-OG 3.23Å; V152-S254 WeakPolarHBondContact CG2-OG 3.42Å
153Y93.2Very high88.5Confident152 Ų15275.2 Ų75.260%0.59638%0.383SS*.Hα-helixtrans-60-44.9176.4175.8-105.9000112G149 I150 A155 V156 I157G149-Y153 WeakPolarHBondContact O-CB 3.46Å; G149-Y153 PolarHBondContact O-N 3.48Å; I150-Y153 PolarHBondContact O-N 3.21Å; Y153-A155 VanDerWaalsContact C-N 3.34Å; Y153-A155 PolarHBondContact O-N 3.27Å; Y153-V156 PolarHBondContact O-N 3.44Å; Y153-I157 HydrophobicContact CD1-CD1 3.9Å; Y153-I157 HydrophobicContact CE1-CD1 3.31Å; Y153-I157 HydrophobicContact CE1-CG1 4.44Å; Y153-I157 HydrophobicContact CE2-CD1 4.03Å; Y153-I157 HydrophobicContact CE2-CG1 4.5Å; Y153-I157 HydrophobicContact CG-CD1 4.49Å; Y153-I157 PolarHBondContact O-N 2.89Å
154L89.2Confident87.1Confident80 Ų8075 Ų7542%0.41938%0.38SS..Hα-helixtrans-63.4-38.3175-69.3175.9000112.1I150 L151 V152 I157 R158I150-L154 HydrophobicContact CG2-CD1 4.08Å; I150-L154 HydrophobicContact CG2-CG 4.42Å; I150-L154 WeakPolarHBondContact O-CG 3.04Å; I150-L154 PolarHBondContact O-N 2.94Å; L151-L154 PolarHBondContact O-N 3.08Å; V152-L154 PolarHBondContact O-N 2.9Å; L154-I157 PolarHBondContact O-N 2.88Å; L154-R158 WeakPolarHBondContact O-CB 3.48Å; L154-R158 PolarHBondContact O-N 3.44Å
155A87.8Confident85.6Confident2 Ų280.8 Ų80.82%0.01741%0.406CS..Hα-helixtrans-64.9-39.9175.800000112.3L151 V152 Y153 R158 I159 P247 T250 F251L151-A155 WeakPolarHBondContact O-CB 3.26Å; L151-A155 PolarHBondContact O-N 3.43Å; V152-A155 WeakPolarHBondContact O-CB 3.44Å; V152-A155 PolarHBondContact O-N 3.35Å; Y153-A155 VanDerWaalsContact C-N 3.34Å; Y153-A155 PolarHBondContact O-N 3.27Å; A155-R158 WeakPolarHBondContact O-CB 3.42Å; A155-R158 PolarHBondContact O-N 3.26Å; A155-I159 WeakPolarHBondContact O-CG1 3.4Å; A155-I159 PolarHBondContact O-N 3.32Å; A155-P247 HydrophobicContact CB-CB 4.36Å; A155-T250 HydrophobicContact CB-CG2 3.97Å; A155-F251 HydrophobicContact CB-CZ 4.47Å
156V91Very high84.2Confident57 Ų5780.7 Ų80.735%0.34541%0.411SS..Hα-helixtrans-63.4-47.1174.1173.50000110.9V152 Y153 R158 I159 I160 F251V152-V156 WeakPolarHBondContact O-CG2 3.4Å; V152-V156 PolarHBondContact O-N 3Å; Y153-V156 PolarHBondContact O-N 3.44Å; V156-R158 VanDerWaalsContact C-N 3.26Å; V156-R158 PolarHBondContact O-N 3.49Å; V156-I159 PolarHBondContact O-N 3.47Å; V156-I160 HydrophobicContact CG1-CD1 3.94Å; V156-I160 WeakPolarHBondContact O-CG1 3.49Å; V156-I160 PolarHBondContact O-N 3.32Å; V156-I160 VanDerWaalsContact O-N 3.11Å; V156-F251 HydrophobicContact CG2-CE1 4.11Å; V156-F251 HydrophobicContact CG2-CZ 3.75Å
157I88.8Confident83.2Confident55 Ų5580 Ų8028%0.28241%0.408SS..Hα-helixtrans-58.8-41.7176.3-74176.3000111.2Y153 L154 I159 I160 H161Y153-I157 HydrophobicContact CD1-CD1 3.9Å; Y153-I157 HydrophobicContact CE1-CD1 3.31Å; Y153-I157 HydrophobicContact CE1-CG1 4.44Å; Y153-I157 HydrophobicContact CE2-CD1 4.03Å; Y153-I157 HydrophobicContact CE2-CG1 4.5Å; Y153-I157 HydrophobicContact CG-CD1 4.49Å; Y153-I157 PolarHBondContact O-N 2.89Å; L154-I157 PolarHBondContact O-N 2.88Å; I157-I159 VanDerWaalsContact C-N 3.33Å; I157-I159 PolarHBondContact O-N 3.27Å; I157-I160 PolarHBondContact O-N 3.05Å; I157-H161 PolarHBondContact O-N 2.93Å; I157-H161 PolarHBondContact O-ND1 2.86Å
158R83.9Confident82.3Confident89 Ų8981 Ų8134%0.33642%0.424SS..Hα-helixtrans-61.5-39.7179.2-176.9176.6-67.4165.83.5111.6L154 A155 V156 N162 Y164 D246 P247L154-R158 WeakPolarHBondContact O-CB 3.48Å; L154-R158 PolarHBondContact O-N 3.44Å; A155-R158 WeakPolarHBondContact O-CB 3.42Å; A155-R158 PolarHBondContact O-N 3.26Å; V156-R158 VanDerWaalsContact C-N 3.26Å; V156-R158 PolarHBondContact O-N 3.49Å; R158-N162 PolarHBondContact O-N 3.29Å; R158-Y164 HydrophobicContact CG-CD1 4.11Å; R158-Y164 HydrophobicContact CG-CE1 3.23Å; R158-Y164 PolarHBondContact O-OH 2.97Å; R158-D246 WeakPolarHBondContact CD-OD2 3.22Å; R158-D246 IonicContact CZ-OD2 3.64Å; R158-D246 IonicContact NE-OD2 3.94Å; R158-D246 IonicContact NH1-OD1 3.81Å; R158-D246 IonicContact NH1-OD2 2.64Å; R158-D246 PolarHBondContact NH1-OD2 3.35Å; R158-P247 HydrophobicContact CG-CG 4.31Å
159I85.5Confident81.6Confident63 Ų6387.5 Ų87.532%0.32345%0.45SS..Hα-helixtrans-64.8-44.3173.5-70.2170.2000111.9A155 V156 I157 P247 F251A155-I159 WeakPolarHBondContact O-CG1 3.4Å; A155-I159 PolarHBondContact O-N 3.32Å; V156-I159 PolarHBondContact O-N 3.47Å; I157-I159 VanDerWaalsContact C-N 3.33Å; I157-I159 PolarHBondContact O-N 3.27Å; I159-P247 HydrophobicContact CD1-CB 3.67Å; I159-P247 HydrophobicContact CD1-CG 4.42Å; I159-P247 HydrophobicContact CG1-CB 3.69Å; I159-P247 HydrophobicContact CG1-CG 3.88Å; I159-F251 HydrophobicContact CD1-CE2 3.73Å; I159-F251 HydrophobicContact CD1-CZ 4.34Å
160I87.9Confident80.9Confident118 Ų11888.1 Ų88.161%0.60544%0.443SS*.Hα-helixtrans-70.1-45.3-174.5-66.3168.7000111.7V156 I157V156-I160 HydrophobicContact CG1-CD1 3.94Å; V156-I160 WeakPolarHBondContact O-CG1 3.49Å; V156-I160 PolarHBondContact O-N 3.32Å; V156-I160 VanDerWaalsContact O-N 3.11Å; I157-I160 PolarHBondContact O-N 3.05Å
161H84.3Confident80.2Confident128 Ų12887.1 Ų87.159%0.59344%0.437SS*.Hα-helixtrans-84.5-15.3-170.8-68.284.3000114.3I157 N163I157-H161 PolarHBondContact O-N 2.93Å; I157-H161 PolarHBondContact O-ND1 2.86Å; H161-N163 PolarHBondContact O-N 3.5Å
162N72.9Confident79.8Confident116 Ų11690.4 Ų90.462%0.6245%0.454SS*.  trans48.317.8-178.2-79.2-46.2000116.1R158 Y164R158-N162 PolarHBondContact O-N 3.29Å; N162-Y164 VanDerWaalsContact C-CD2 3.44Å; N162-Y164 HydrophobicContact CB-CE2 4.35Å; N162-Y164 VanDerWaalsContact O-CD2 3.24Å; N162-Y164 WeakPolarHBondContact O-CD2 3.48Å; N162-Y164 PolarHBondContact O-N 3.27Å
163N64.7Low79.3Confident138 Ų13893.8 Ų93.874%0.73847%0.47SS*.  trans-91.296.5-177.2-166.74.8000109.3H161H161-N163 PolarHBondContact O-N 3.5Å
164Y63Low78.7Confident37 Ų3787.4 Ų87.415%0.14545%0.447CS..  trans-123.494.2-177.3-56.8-92.1000110.2R158 N162 I166 K243R158-Y164 HydrophobicContact CG-CD1 4.11Å; R158-Y164 HydrophobicContact CG-CE1 3.23Å; R158-Y164 PolarHBondContact O-OH 2.97Å; N162-Y164 VanDerWaalsContact C-CD2 3.44Å; N162-Y164 HydrophobicContact CB-CE2 4.35Å; N162-Y164 VanDerWaalsContact O-CD2 3.24Å; N162-Y164 WeakPolarHBondContact O-CD2 3.48Å; N162-Y164 PolarHBondContact O-N 3.27Å; Y164-I166 HydrophobicContact CD1-CD1 4.4Å; Y164-K243 HydrophobicContact CD2-CD 4.13Å; Y164-K243 HydrophobicContact CG-CD 4.41Å
165E60.8Low78.5Confident191 Ų19186.4 Ų86.489%0.89345%0.447SS*.  trans-110.587.5158.4-69.3-162.516700108.4
166I65.1Low78.5Confident87 Ų8789.3 Ų89.345%0.44647%0.47SS..  trans-110.8122.3176.8-57.2172.6000107.6Y164 G168 M171Y164-I166 HydrophobicContact CD1-CD1 4.4Å; I166-G168 PolarHBondContact O-N 2.98Å; I166-M171 HydrophobicContact CG2-CB 4Å; I166-M171 HydrophobicContact CG2-CG 4.35Å; I166-M171 HydrophobicContact CG2-SD 3.62Å
167N72Confident78.2Confident94 Ų9489.9 Ų89.950%0.50347%0.474SS..  trans-71.995.1170-173.1-25.1000109K169 I170 M171N167-K169 PolarHBondContact O-N 2.87Å; N167-K169 VanDerWaalsContact O-N 3.09Å; N167-K169 PolarHBondContact OD1-N 3.48Å; N167-I170 HydrophobicContact CB-CB 4.39Å; N167-I170 HydrophobicContact CB-CD1 4.11Å; N167-I170 HydrophobicContact CB-CG1 4.27Å; N167-I170 WeakPolarHBondContact ND2-CD1 3.1Å; N167-I170 PolarHBondContact O-N 3.28Å; N167-M171 PolarHBondContact O-N 2.95Å
168G73.4Confident78Confident48 Ų4887.4 Ų87.450%0.49546%0.463SS..Hα-helixtrans-56.4-27.9-174.800000114.4I166 L172I166-G168 PolarHBondContact O-N 2.98Å; G168-L172 VanDerWaalsContact O-CB 3.31Å; G168-L172 WeakPolarHBondContact O-CB 3.31Å; G168-L172 PolarHBondContact O-N 2.92Å
169K79.8Confident78.2Confident159 Ų15987.3 Ų87.369%0.69147%0.472SS*.Hα-helixtrans-68.2-46.7175.9-67.8-175.8-179.9-179.90111.7N167 L172 I173N167-K169 PolarHBondContact O-N 2.87Å; N167-K169 VanDerWaalsContact O-N 3.09Å; N167-K169 PolarHBondContact OD1-N 3.48Å; K169-L172 PolarHBondContact O-N 2.9Å; K169-I173 WeakPolarHBondContact O-CG1 3.45Å; K169-I173 PolarHBondContact O-N 3.5Å
170I78.7Confident78.4Confident55 Ų5585.6 Ų85.628%0.28247%0.47SS..Hα-helixtrans-65.6-46.8179-60.4175.6000109.1I93 N167 L172 I173 T174I93-I170 HydrophobicContact CG1-CG2 4.45Å; N167-I170 HydrophobicContact CB-CB 4.39Å; N167-I170 HydrophobicContact CB-CD1 4.11Å; N167-I170 HydrophobicContact CB-CG1 4.27Å; N167-I170 WeakPolarHBondContact ND2-CD1 3.1Å; N167-I170 PolarHBondContact O-N 3.28Å; I170-L172 VanDerWaalsContact C-N 3.33Å; I170-L172 PolarHBondContact O-N 3.45Å; I170-I173 PolarHBondContact O-N 2.99Å; I170-T174 HydrophobicContact CG2-CG2 4.11Å; I170-T174 WeakPolarHBondContact O-CG2 3.28Å; I170-T174 PolarHBondContact O-N 3.16Å; I170-T174 PolarHBondContact O-OG1 3.43Å
171M76.7Confident78.4Confident65 Ų6580.2 Ų80.232%0.3244%0.442SS..Hα-helixtrans-59-41.2179.1-171.9-177.6-177.100112.7I166 N167 T174 S175I166-M171 HydrophobicContact CG2-CB 4Å; I166-M171 HydrophobicContact CG2-CG 4.35Å; I166-M171 HydrophobicContact CG2-SD 3.62Å; N167-M171 PolarHBondContact O-N 2.95Å; M171-T174 WeakPolarHBondContact CA-OG1 3.43Å; M171-T174 PolarHBondContact O-N 2.86Å; M171-T174 PolarHBondContact O-OG1 2.99Å; M171-S175 VanDerWaalsContact O-CB 3.3Å; M171-S175 WeakPolarHBondContact O-CB 3.47Å; M171-S175 PolarHBondContact O-N 3.43Å; M171-S175 PolarHBondContact O-OG 2.83Å
172L83.2Confident78.6Confident125 Ų12577.7 Ų77.765%0.65443%0.433SS*.Hα-helixtrans-63.7-44.5178.2-174154.7000111.5G168 K169 I170 A176G168-L172 VanDerWaalsContact O-CB 3.31Å; G168-L172 WeakPolarHBondContact O-CB 3.31Å; G168-L172 PolarHBondContact O-N 2.92Å; K169-L172 PolarHBondContact O-N 2.9Å; I170-L172 VanDerWaalsContact C-N 3.33Å; I170-L172 PolarHBondContact O-N 3.45Å; L172-A176 VanDerWaalsContact O-CB 3.25Å; L172-A176 WeakPolarHBondContact O-CB 3.17Å; L172-A176 PolarHBondContact O-N 3.21Å
173I84.3Confident79.4Confident110 Ų11076.1 Ų76.156%0.56442%0.424SS*.Hα-helixtrans-64.2-44.7178.8-67167.9000110.5K169 I170 A176 T177K169-I173 WeakPolarHBondContact O-CG1 3.45Å; K169-I173 PolarHBondContact O-N 3.5Å; I170-I173 PolarHBondContact O-N 2.99Å; I173-A176 PolarHBondContact O-N 3.4Å; I173-T177 WeakPolarHBondContact O-CB 3.35Å; I173-T177 PolarHBondContact O-N 3.11Å; I173-T177 PolarHBondContact O-OG1 3.17Å
174T80.5Confident80.5Confident18 Ų1873.2 Ų73.211%0.1141%0.407CS..Hα-helixtrans-66.1-49.1-18056.10000111I93 I170 M171 A176 T177 G178I93-T174 HydrophobicContact CB-CG2 4.42Å; I93-T174 HydrophobicContact CD1-CG2 4.26Å; I93-T174 HydrophobicContact CG1-CG2 3.38Å; I170-T174 HydrophobicContact CG2-CG2 4.11Å; I170-T174 WeakPolarHBondContact O-CG2 3.28Å; I170-T174 PolarHBondContact O-N 3.16Å; I170-T174 PolarHBondContact O-OG1 3.43Å; M171-T174 WeakPolarHBondContact CA-OG1 3.43Å; M171-T174 PolarHBondContact O-N 2.86Å; M171-T174 PolarHBondContact O-OG1 2.99Å; T174-A176 VanDerWaalsContact C-N 3.3Å; T174-A176 PolarHBondContact O-N 2.92Å; T174-T177 WeakPolarHBondContact O-CB 3.32Å; T174-T177 PolarHBondContact O-N 3.31Å; T174-G178 PolarHBondContact O-N 3.07Å
175S83.1Confident81.6Confident60 Ų6072.1 Ų72.142%0.4240%0.404SS..Hα-helixtrans-61.3-38.1178.3-61.30000112.3M171 T177 V179M171-S175 VanDerWaalsContact O-CB 3.3Å; M171-S175 WeakPolarHBondContact O-CB 3.47Å; M171-S175 PolarHBondContact O-N 3.43Å; M171-S175 PolarHBondContact O-OG 2.83Å; S175-T177 VanDerWaalsContact C-N 3.34Å; S175-V179 WeakPolarHBondContact O-CB 3.17Å; S175-V179 VanDerWaalsContact O-CG2 3.22Å; S175-V179 WeakPolarHBondContact O-CG2 3.28Å; S175-V179 PolarHBondContact O-N 3.36Å
176A88.4Confident82.8Confident62 Ų6268.1 Ų68.151%0.51239%0.388SS..Hα-helixtrans-65-39.317500000112L172 I173 T174 G180L172-A176 VanDerWaalsContact O-CB 3.25Å; L172-A176 WeakPolarHBondContact O-CB 3.17Å; L172-A176 PolarHBondContact O-N 3.21Å; I173-A176 PolarHBondContact O-N 3.4Å; T174-A176 VanDerWaalsContact C-N 3.3Å; T174-A176 PolarHBondContact O-N 2.92Å; A176-G180 PolarHBondContact O-N 3.28Å
177T85.8Confident83.9Confident69 Ų6971 Ų7142%0.42340%0.397SS..Hα-helixtrans-66.9-50.2176.8-54.70000110.8I173 T174 S175 V179 G180 V181I173-T177 WeakPolarHBondContact O-CB 3.35Å; I173-T177 PolarHBondContact O-N 3.11Å; I173-T177 PolarHBondContact O-OG1 3.17Å; T174-T177 WeakPolarHBondContact O-CB 3.32Å; T174-T177 PolarHBondContact O-N 3.31Å; S175-T177 VanDerWaalsContact C-N 3.34Å; T177-V179 PolarHBondContact O-N 3.46Å; T177-G180 WeakPolarHBondContact O-CA 3.31Å; T177-G180 PolarHBondContact O-N 2.95Å; T177-V181 WeakPolarHBondContact O-CG2 3.49Å; T177-V181 PolarHBondContact O-N 2.87Å
178G84.6Confident84.5Confident4 Ų467.9 Ų67.94%0.04138%0.382CS..Hα-helixtrans-59.4-42.1177.900000112.9T174 G180 V181 N182T174-G178 PolarHBondContact O-N 3.07Å; G178-G180 PolarHBondContact O-N 2.85Å; G178-V181 PolarHBondContact O-N 3.48Å; G178-N182 WeakPolarHBondContact O-CB 3.16Å; G178-N182 PolarHBondContact O-N 2.87Å; G178-N182 PolarHBondContact O-ND2 2.96Å
179V88Confident84.6Confident87 Ų8769.6 Ų69.653%0.52738%0.379SS..Hα-helixtrans-61.8-43.4172.5170.30000111.2S175 T177 N182 I183S175-V179 WeakPolarHBondContact O-CB 3.17Å; S175-V179 VanDerWaalsContact O-CG2 3.22Å; S175-V179 WeakPolarHBondContact O-CG2 3.28Å; S175-V179 PolarHBondContact O-N 3.36Å; T177-V179 PolarHBondContact O-N 3.46Å; V179-N182 PolarHBondContact O-N 3.39Å; V179-I183 HydrophobicContact CG1-CD1 3.81Å; V179-I183 HydrophobicContact CG1-CG1 4.43Å; V179-I183 VanDerWaalsContact O-CG1 3.26Å; V179-I183 WeakPolarHBondContact O-CG1 3.46Å; V179-I183 PolarHBondContact O-N 3.32Å
180G89.9Confident84.4Confident27 Ų2768.3 Ų68.328%0.27838%0.375SS..Hα-helixtrans-59-46.7175.700000112.5A176 T177 G178 I183 I184A176-G180 PolarHBondContact O-N 3.28Å; T177-G180 WeakPolarHBondContact O-CA 3.31Å; T177-G180 PolarHBondContact O-N 2.95Å; G178-G180 PolarHBondContact O-N 2.85Å; G180-I183 PolarHBondContact O-N 3.02Å; G180-I184 VanDerWaalsContact O-CG1 3.31Å; G180-I184 WeakPolarHBondContact O-CG1 3.49Å; G180-I184 PolarHBondContact O-N 3.46Å
181V87Confident83.2Confident4 Ų469.9 Ų69.92%0.02439%0.385CS..Hα-helixtrans-61.5-45.8176.91730000111F77 L100 T177 G178 I183 I184 M185F77-V181 HydrophobicContact CB-CG1 4.03Å; F77-V181 HydrophobicContact CB-CG2 4.25Å; F77-V181 HydrophobicContact CD1-CG2 3.56Å; F77-V181 HydrophobicContact CD2-CB 4.25Å; F77-V181 HydrophobicContact CD2-CG1 3.45Å; F77-V181 VanDerWaalsContact CD2-CG1 3.45Å; F77-V181 HydrophobicContact CD2-CG2 3.85Å; F77-V181 HydrophobicContact CE1-CG2 3.74Å; F77-V181 HydrophobicContact CE2-CB 4.45Å; F77-V181 HydrophobicContact CE2-CG1 3.98Å; F77-V181 HydrophobicContact CE2-CG2 3.98Å; F77-V181 HydrophobicContact CG-CB 4.39Å; F77-V181 HydrophobicContact CG-CG1 3.79Å; F77-V181 HydrophobicContact CG-CG2 3.62Å; F77-V181 HydrophobicContact CZ-CG2 3.94Å; L100-V181 HydrophobicContact CD2-CG1 4.41Å; T177-V181 WeakPolarHBondContact O-CG2 3.49Å; T177-V181 PolarHBondContact O-N 2.87Å; G178-V181 PolarHBondContact O-N 3.48Å; V181-I183 VanDerWaalsContact C-N 3.32Å; V181-I183 PolarHBondContact O-N 3.19Å; V181-I184 PolarHBondContact O-N 3.21Å; V181-M185 HydrophobicContact CG1-CE 4.04Å; V181-M185 HydrophobicContact CG1-CG 4.46Å; V181-M185 HydrophobicContact CG1-SD 4.43Å; V181-M185 WeakPolarHBondContact O-CG 3.35Å; V181-M185 PolarHBondContact O-N 3.48Å
182N88Confident81.4Confident76 Ų7673.9 Ų73.941%0.40640%0.402SS..Hα-helixtrans-61.5-37.3176.9-76-25.1000112.8G178 V179 M185 L186G178-N182 WeakPolarHBondContact O-CB 3.16Å; G178-N182 PolarHBondContact O-N 2.87Å; G178-N182 PolarHBondContact O-ND2 2.96Å; V179-N182 PolarHBondContact O-N 3.39Å; N182-M185 PolarHBondContact O-N 3.48Å; N182-M185 WeakPolarHBondContact OD1-CE 3.08Å; N182-L186 WeakPolarHBondContact O-CB 3.49Å; N182-L186 PolarHBondContact O-N 3.24Å
183I90.2Very high79Confident82 Ų8271.4 Ų71.442%0.42141%0.406SS..Hα-helixtrans-65.9-44.6174.3-70.5167.6000111V179 G180 V181 M185 L186 F187V179-I183 HydrophobicContact CG1-CD1 3.81Å; V179-I183 HydrophobicContact CG1-CG1 4.43Å; V179-I183 VanDerWaalsContact O-CG1 3.26Å; V179-I183 WeakPolarHBondContact O-CG1 3.46Å; V179-I183 PolarHBondContact O-N 3.32Å; G180-I183 PolarHBondContact O-N 3.02Å; V181-I183 VanDerWaalsContact C-N 3.32Å; V181-I183 PolarHBondContact O-N 3.19Å; I183-M185 VanDerWaalsContact C-N 3.33Å; I183-M185 PolarHBondContact O-N 3.29Å; I183-L186 WeakPolarHBondContact O-CB 3.33Å; I183-L186 PolarHBondContact O-N 3.34Å; I183-F187 HydrophobicContact CG2-CD2 3.68Å; I183-F187 HydrophobicContact CG2-CE2 3.41Å; I183-F187 VanDerWaalsContact CG2-CE2 3.41Å; I183-F187 WeakPolarHBondContact O-CD2 3.49Å; I183-F187 PolarHBondContact O-N 3.36Å
184I89Confident76.7Confident78 Ų7872.1 Ų72.140%0.441%0.407SS..Hα-helixtrans-63-42.6177.1-61.6165.1000110.3L73 F77 G180 V181 L186 F187 T188L73-I184 HydrophobicContact CD2-CB 4.38Å; L73-I184 HydrophobicContact CD2-CG2 3.58Å; F77-I184 HydrophobicContact CZ-CD1 4.3Å; G180-I184 VanDerWaalsContact O-CG1 3.31Å; G180-I184 WeakPolarHBondContact O-CG1 3.49Å; G180-I184 PolarHBondContact O-N 3.46Å; V181-I184 PolarHBondContact O-N 3.21Å; I184-L186 VanDerWaalsContact C-N 3.35Å; I184-F187 PolarHBondContact O-N 3.31Å; I184-T188 WeakPolarHBondContact O-CB 3.32Å; I184-T188 PolarHBondContact O-N 2.94Å; I184-T188 PolarHBondContact O-OG1 3.23Å
185M84.8Confident74.3Confident14 Ų1478.9 Ų78.97%0.06944%0.442CS..Hα-helixtrans-61.7-42.2174.8-72.4-166.8-6100111.7L73 C74 L100 F107 V181 N182 I183 F187 T188 L189L73-M185 HydrophobicContact CD2-CG 3.96Å; C74-M185 HydrophobicContact CB-SD 3.98Å; L100-M185 HydrophobicContact CD2-CE 4.28Å; F107-M185 HydrophobicContact CE2-SD 4.19Å; V181-M185 HydrophobicContact CG1-CE 4.04Å; V181-M185 HydrophobicContact CG1-CG 4.46Å; V181-M185 HydrophobicContact CG1-SD 4.43Å; V181-M185 WeakPolarHBondContact O-CG 3.35Å; V181-M185 PolarHBondContact O-N 3.48Å; N182-M185 PolarHBondContact O-N 3.48Å; N182-M185 WeakPolarHBondContact OD1-CE 3.08Å; I183-M185 VanDerWaalsContact C-N 3.33Å; I183-M185 PolarHBondContact O-N 3.29Å; M185-F187 PolarHBondContact O-N 3.34Å; M185-T188 WeakPolarHBondContact O-CB 3.5Å; M185-T188 PolarHBondContact O-N 2.87Å; M185-L189 PolarHBondContact O-N 2.81Å
186L87.1Confident72.2Confident107 Ų10783.7 Ų83.756%0.5646%0.458SS*.Hα-helixtrans-59.2-46.9176.2179.463.6000111.5N182 I183 I184 T188 L189 H190N182-L186 WeakPolarHBondContact O-CB 3.49Å; N182-L186 PolarHBondContact O-N 3.24Å; I183-L186 WeakPolarHBondContact O-CB 3.33Å; I183-L186 PolarHBondContact O-N 3.34Å; I184-L186 VanDerWaalsContact C-N 3.35Å; L186-T188 VanDerWaalsContact C-N 3.32Å; L186-T188 PolarHBondContact O-N 2.95Å; L186-L189 PolarHBondContact O-N 3.05Å; L186-H190 WeakPolarHBondContact O-CB 3.34Å; L186-H190 PolarHBondContact O-N 3.29Å
187F88.4Confident69.5Low147 Ų14787.5 Ų87.565%0.64548%0.475SS*.Hα-helixtrans-66.8-32.3176.5-76-62.5000113.2I183 I184 M185 L189I183-F187 HydrophobicContact CG2-CD2 3.68Å; I183-F187 HydrophobicContact CG2-CE2 3.41Å; I183-F187 VanDerWaalsContact CG2-CE2 3.41Å; I183-F187 WeakPolarHBondContact O-CD2 3.49Å; I183-F187 PolarHBondContact O-N 3.36Å; I184-F187 PolarHBondContact O-N 3.31Å; M185-F187 PolarHBondContact O-N 3.34Å; F187-L189 VanDerWaalsContact C-N 3.32Å
188T83.9Confident67Low29 Ų2989 Ų8918%0.17849%0.489CS..Hα-helixtrans-67.4-35.3176.8-58.50000111.6L69 I184 M185 L186L69-T188 HydrophobicContact CB-CG2 4.17Å; L69-T188 HydrophobicContact CD2-CG2 3.55Å; L69-T188 HydrophobicContact CG-CG2 3.66Å; I184-T188 WeakPolarHBondContact O-CB 3.32Å; I184-T188 PolarHBondContact O-N 2.94Å; I184-T188 PolarHBondContact O-OG1 3.23Å; M185-T188 WeakPolarHBondContact O-CB 3.5Å; M185-T188 PolarHBondContact O-N 2.87Å; L186-T188 VanDerWaalsContact C-N 3.32Å; L186-T188 PolarHBondContact O-N 2.95Å
189L76.2Confident64.7Low83 Ų8396.9 Ų96.944%0.43553%0.529SS..Hα-helixtrans-83.9-39.1178.5-171.461.1000112.1L67 M185 L186 F187 N191L67-L189 HydrophobicContact CD2-CD1 4.43Å; M185-L189 PolarHBondContact O-N 2.81Å; L186-L189 PolarHBondContact O-N 3.05Å; F187-L189 VanDerWaalsContact C-N 3.32Å; L189-N191 PolarHBondContact O-N 3.39Å; L189-N191 VanDerWaalsContact O-N 3.15Å
190H74.3Confident62.2Low132 Ų13299.7 Ų99.761%0.61154%0.541SS*.  trans-83.589-178-158.786.7000110.7L186 H192L186-H190 WeakPolarHBondContact O-CB 3.34Å; L186-H190 PolarHBondContact O-N 3.29Å; H190-H192 PolarHBondContact O-N 3.49Å
191N54.5Low59.7Low89 Ų89107.7 Ų107.748%0.47657%0.571SS.*  trans-71.9126.5164.4-86.127.9000109.5K66 L189 G193K66-N191 WeakPolarHBondContact CE-ND2 3.48Å; K66-N191 WeakPolarHBondContact CE-OD1 3.27Å; L189-N191 PolarHBondContact O-N 3.39Å; L189-N191 VanDerWaalsContact O-N 3.15Å; N191-G193 PolarHBondContact O-N 3.07Å
192H37.3Very low57.2Low149 Ų149116.2 Ų116.269%0.6961%0.61SS**  trans-58.380.4155.3-14764.7000109.5H190 H194H190-H192 PolarHBondContact O-N 3.49Å; H192-H194 VanDerWaalsContact C-N 3.29Å; H192-H194 AromaticContact CD2-CD2 3.32Å; H192-H194 PolarHBondContact CD2-CD2 3.48Å; H192-H194 AromaticContact CD2-NE2 3.93Å; H192-H194 AromaticContact CE1-CD2 3.47Å; H192-H194 PolarHBondContact CE1-CD2 2.76Å; H192-H194 VanDerWaalsContact CE1-CD2 3.47Å; H192-H194 AromaticContact CE1-NE2 3.22Å; H192-H194 PolarHBondContact CE1-NE2 3.35Å; H192-H194 AromaticContact NE2-CD2 2.96Å; H192-H194 PolarHBondContact NE2-CD2 3.29Å; H192-H194 AromaticContact NE2-NE2 3.11Å; H192-H194 PolarHBondContact NE2-NE2 3.37Å; H192-H194 VanDerWaalsContact NE2-NE2 3.11Å; H192-H194 PolarHBondContact O-N 3.04Å
193G34.2Very low54.9Low72 Ų72118.3 Ų118.374%0.74263%0.631SS**  trans-87.870.1165.700000108.9N191 N195N191-G193 PolarHBondContact O-N 3.07Å; G193-N195 PolarHBondContact O-N 3.15Å
194H35.1Very low52.4Low126 Ų126121.3 Ų121.358%0.58365%0.648SS**  trans-68.5107163.2-89-50.1000108.3H192H192-H194 VanDerWaalsContact C-N 3.29Å; H192-H194 AromaticContact CD2-CD2 3.32Å; H192-H194 PolarHBondContact CD2-CD2 3.48Å; H192-H194 AromaticContact CD2-NE2 3.93Å; H192-H194 AromaticContact CE1-CD2 3.47Å; H192-H194 PolarHBondContact CE1-CD2 2.76Å; H192-H194 VanDerWaalsContact CE1-CD2 3.47Å; H192-H194 AromaticContact CE1-NE2 3.22Å; H192-H194 PolarHBondContact CE1-NE2 3.35Å; H192-H194 AromaticContact NE2-CD2 2.96Å; H192-H194 PolarHBondContact NE2-CD2 3.29Å; H192-H194 AromaticContact NE2-NE2 3.11Å; H192-H194 PolarHBondContact NE2-NE2 3.37Å; H192-H194 VanDerWaalsContact NE2-NE2 3.11Å; H192-H194 PolarHBondContact O-N 3.04Å
195N31.1Very low49.9Very low159 Ų159125.8 Ų125.885%0.8567%0.667SS**  trans-160129.7142.5-87.4-29.2000108.8G193G193-N195 PolarHBondContact O-N 3.15Å
196H37.8Very low47.6Very low161 Ų161133.1 Ų133.175%0.74571%0.706SS**  trans-76.6151-162.6-64.3-97.7000115.1
197T32.1Very low45.3Very low142 Ų142133.5 Ų133.587%0.87172%0.715SS**  trans-148.2102.4134.924.10000108.6
198S33.4Very low42.5Very low102 Ų102136 Ų13671%0.71373%0.725SS**  trans-84.6116.7165.356.20000108.9
199L37.3Very low40.3Very low169 Ų169140.4 Ų140.489%0.88575%0.754SS**  trans-119.9130.1157.5-91.8156.8000107.9
200N34.9Very low38.1Very low145 Ų145141.5 Ų141.578%0.77577%0.765SS**  trans-66.7136-167.3-64.3-48.2000112.4
201E36.4Very low36.3Very low196 Ų196143.4 Ų143.492%0.91678%0.778SS**  trans-141.4120.9146-113.8-177.7170.600110.1
202H35.7Very low35.3Very low183 Ų183144.5 Ų144.585%0.84779%0.788SS**  trans-73.5125.9179.4-89.9-81000110.7
203S39.4Very low34.9Very low120 Ų120143 Ų14384%0.83979%0.789SS**  trans-152.6141.8141.850.20000110.8
204N36.6Very low34.8Very low145 Ų145146.8 Ų146.878%0.77579%0.791SS**  trans-83.9163.2-162.6-80.2-41.1000113.4
205E36.7Very low34.6Very low172 Ų172145.7 Ų145.780%0.80480%0.797SS**  trans78.195.1154.2-73.9173.3-171.400119.1
206L37.8Very low34.5Very low167 Ų167145.3 Ų145.387%0.87480%0.795SS**  174.1151.7104.3-97.1126.9000110.1
207P38Very low34.4Very low116 Ų116145.3 Ų145.375%0.75380%0.795SS**  trans-84143.9-157.532.9-32.5000114.5
208K29.2Very low34.3Very low198 Ų198145.5 Ų145.586%0.86179%0.791SS**  trans-67.1152.6170.8-65173.6177.7176.70112.1
209P38.7Very low34.5Very low122 Ų122147.2 Ų147.279%0.79279%0.787SS**  trans-102.3104.1144.731.8-21000110.2
210T30.2Very low34.4Very low106 Ų106146.4 Ų146.465%0.6578%0.784SS**  20.1112.6127-45.70000118.2T212T210-T212 HydrophobicContact CG2-CG2 4.39Å; T210-T212 WeakPolarHBondContact CG2-OG1 3.39Å
211I36Very low34.8Very low173 Ų173146.1 Ų146.189%0.88778%0.778SS**  trans-104.298.9145.1-66.2178.4000105.9
212T33.8Very low34.8Very low112 Ų112146.8 Ų146.869%0.68778%0.778SS**  trans-76.7128.2173.7-14.40000109.4T210T210-T212 HydrophobicContact CG2-CG2 4.39Å; T210-T212 WeakPolarHBondContact CG2-OG1 3.39Å
213T28.6Very low35.1Very low116 Ų116146.4 Ų146.471%0.71277%0.77SS**  trans-50.5162.3153.4-310000111.8
214I31.9Very low35.5Very low153 Ų153146.3 Ų146.379%0.78576%0.76SS**  trans95.9105158.3-49.9147.8000115.2
215S31.6Very low36.3Very low102 Ų102145.1 Ų145.171%0.71375%0.752SS**  166.7135.793.3-161.20000111.7H217S215-H217 PolarHBondContact O-N 2.99Å
216N29.4Very low37Very low152 Ų152142.7 Ų142.781%0.81375%0.745SS**  trans-44131.6158.7-73.1-32.4000111.6
217H34.2Very low37.7Very low160 Ų160139.5 Ų139.574%0.74173%0.728SS**  trans-137.2107.1147-118.5-61.3000110.3S215 H219S215-H217 PolarHBondContact O-N 2.99Å; H217-H219 AromaticContact CE1-CD2 3.77Å; H217-H219 AromaticContact CE1-NE2 3.58Å; H217-H219 AromaticContact ND1-CD2 3.27Å; H217-H219 PolarHBondContact ND1-CD2 2.88Å; H217-H219 VanDerWaalsContact ND1-CD2 3.27Å; H217-H219 AromaticContact ND1-NE2 3.55Å
218N30.1Very low38.5Very low146 Ų146141 Ų14178%0.78173%0.726SS**  trans-72.7114159.6-164.68.9000106.7
219H38.8Very low39.8Very low138 Ų138136.5 Ų136.564%0.63971%0.71SS**  trans-139.1107.8162-95.3-65.4000109.2H217 H221H217-H219 AromaticContact CE1-CD2 3.77Å; H217-H219 AromaticContact CE1-NE2 3.58Å; H217-H219 AromaticContact ND1-CD2 3.27Å; H217-H219 PolarHBondContact ND1-CD2 2.88Å; H217-H219 VanDerWaalsContact ND1-CD2 3.27Å; H217-H219 AromaticContact ND1-NE2 3.55Å; H219-H221 PolarHBondContact O-N 3.07Å
220N33.7Very low40.4Very low153 Ų153137.1 Ų137.182%0.81870%0.697SS**  trans-53.9102.3154.6-85.7-27.2000109
221H43.4Very low41.4Very low139 Ų139140.1 Ų140.164%0.64470%0.701SS**  trans-139.9101.5155.7-99.1-79.7000109.5H219 Y223H219-H221 PolarHBondContact O-N 3.07Å; H221-Y223 VanDerWaalsContact C-N 3.32Å; H221-Y223 HydrophobicContact CB-CD2 4.31Å; H221-Y223 AromaticContact ND1-CD2 3.3Å; H221-Y223 VanDerWaalsContact ND1-CD2 3.3Å; H221-Y223 WeakPolarHBondContact ND1-CD2 3.33Å; H221-Y223 AromaticContact ND1-CE2 3.39Å; H221-Y223 WeakPolarHBondContact ND1-CE2 3.48Å; H221-Y223 PolarHBondContact O-N 3.41Å; H221-Y223 VanDerWaalsContact O-N 3.09Å
222K37.9Very low42.4Very low210 Ų210136.7 Ų136.791%0.91368%0.681SS**  trans-71.385.6164.4-177.8176.2-180175.30107.8
223Y41Very low43.4Very low175 Ų175137.8 Ų137.869%0.68668%0.683SS**  trans-143.2107.1172.5-84.7-87.7000110.2H221 I225H221-Y223 VanDerWaalsContact C-N 3.32Å; H221-Y223 HydrophobicContact CB-CD2 4.31Å; H221-Y223 AromaticContact ND1-CD2 3.3Å; H221-Y223 VanDerWaalsContact ND1-CD2 3.3Å; H221-Y223 WeakPolarHBondContact ND1-CD2 3.33Å; H221-Y223 AromaticContact ND1-CE2 3.39Å; H221-Y223 WeakPolarHBondContact ND1-CE2 3.48Å; H221-Y223 PolarHBondContact O-N 3.41Å; H221-Y223 VanDerWaalsContact O-N 3.09Å; Y223-I225 VanDerWaalsContact C-N 3.3Å; Y223-I225 WeakPolarHBondContact O-CG1 3.28Å; Y223-I225 PolarHBondContact O-N 3.49Å
224D48.3Very low44.5Very low118 Ų118138.7 Ų138.763%0.63168%0.683SS**  trans18.831.9145.4-130.1-7.8000123.5N226 N227D224-N226 PolarHBondContact O-N 2.9Å; D224-N227 PolarHBondContact O-N 3.44Å; D224-N227 PolarHBondContact OD1-ND2 3.01Å
225I52.8Low45.6Very low120 Ų120137.8 Ų137.862%0.61567%0.67SS**Hα-helixtrans-69.9-20.7178.4-12.4174.4000113.2Y223 N227Y223-I225 VanDerWaalsContact C-N 3.3Å; Y223-I225 WeakPolarHBondContact O-CG1 3.28Å; Y223-I225 PolarHBondContact O-N 3.49Å; I225-N227 VanDerWaalsContact C-N 3.26Å; I225-N227 PolarHBondContact O-N 3.13Å
226N51.8Low46.8Very low120 Ų120138.1 Ų138.164%0.64267%0.669SS**Hα-helixtrans-81.83-179.4-69.3-19000113.5D224 Y230D224-N226 PolarHBondContact O-N 2.9Å; N226-Y230 HydrophobicContact CB-CE2 4.28Å; N226-Y230 WeakPolarHBondContact O-CD2 3.31Å; N226-Y230 WeakPolarHBondContact O-CE2 3.41Å
227N52.5Low47.9Very low100 Ų100138.3 Ų138.354%0.53567%0.67SS.*Hα-helixtrans-111.9-30.3174.7-81-35.9000112.8D224 I225 K231D224-N227 PolarHBondContact O-N 3.44Å; D224-N227 PolarHBondContact OD1-ND2 3.01Å; I225-N227 VanDerWaalsContact C-N 3.26Å; I225-N227 PolarHBondContact O-N 3.13Å; N227-K231 WeakPolarHBondContact O-CB 3.4Å; N227-K231 PolarHBondContact O-N 2.94Å
228E55.3Low48.9Very low148 Ų148133.9 Ų133.969%0.69265%0.651SS**Hα-helixtrans-73.1-41.5179.5-76.7-169152.900113.3Y230 K231 E232E228-Y230 VanDerWaalsContact C-N 3.27Å; E228-Y230 PolarHBondContact O-N 3.41Å; E228-K231 PolarHBondContact O-N 2.93Å; E228-E232 PolarHBondContact O-N 3.39Å; E228-E232 VanDerWaalsContact O-N 3.09Å
229I56Low50.2Low103 Ų103130.6 Ų130.653%0.52864%0.637SS.*Hα-helixtrans-62.7-37.8176.4-64174.2000110.6L233I229-L233 HydrophobicContact CG2-CD1 3.95Å; I229-L233 WeakPolarHBondContact O-CB 3.34Å; I229-L233 WeakPolarHBondContact O-CD1 3.5Å; I229-L233 WeakPolarHBondContact O-CG 3.41Å; I229-L233 PolarHBondContact O-N 3.39Å; I229-L233 VanDerWaalsContact O-N 3.17Å
230Y51.1Low51.1Low135 Ų135128.3 Ų128.353%0.52963%0.634SS.*Hα-helixtrans-74.2-27.7178.8-69-99.7000112.9N226 E228 N234N226-Y230 HydrophobicContact CB-CE2 4.28Å; N226-Y230 WeakPolarHBondContact O-CD2 3.31Å; N226-Y230 WeakPolarHBondContact O-CE2 3.41Å; E228-Y230 VanDerWaalsContact C-N 3.27Å; E228-Y230 PolarHBondContact O-N 3.41Å; Y230-N234 PolarHBondContact O-N 3.36Å
231K51.9Low52.5Low169 Ų169129.5 Ų129.574%0.73563%0.632SS**Hα-helixtrans-75.1-38.6176.3-126.9175.3-179.91770112.1N227 E228 N234N227-K231 WeakPolarHBondContact O-CB 3.4Å; N227-K231 PolarHBondContact O-N 2.94Å; E228-K231 PolarHBondContact O-N 2.93Å; K231-N234 PolarHBondContact O-N 2.67Å
232E56.9Low53.8Low101 Ų101130.4 Ų130.447%0.47263%0.631SS.*Hα-helixtrans-72.3-35.3176.2-77.8-59.5153.200112.4E228 N234 R235E228-E232 PolarHBondContact O-N 3.39Å; E228-E232 VanDerWaalsContact O-N 3.09Å; E232-N234 VanDerWaalsContact C-N 3.27Å; E232-N234 PolarHBondContact O-N 2.98Å; E232-R235 PolarHBondContact O-N 2.99Å; E232-R235 IonicContact OE1-NH1 2.96Å; E232-R235 PolarHBondContact OE1-NH1 2.88Å; E232-R235 IonicContact OE2-NH1 3.46Å; E232-R235 PolarHBondContact OE2-NH1 3.46Å
233L53.7Low55.3Low136 Ų136125 Ų12571%0.71261%0.608SS**Hα-helixtrans-66.7-24.4174.4-77.4165.1000113.9I229I229-L233 HydrophobicContact CG2-CD1 3.95Å; I229-L233 WeakPolarHBondContact O-CB 3.34Å; I229-L233 WeakPolarHBondContact O-CD1 3.5Å; I229-L233 WeakPolarHBondContact O-CG 3.41Å; I229-L233 PolarHBondContact O-N 3.39Å; I229-L233 VanDerWaalsContact O-N 3.17Å
234N52.5Low57Low134 Ų134120.9 Ų120.972%0.71760%0.596SS**THydrogen-bonded Turntrans-99.313.5-179.3-84.6-25.2000114.1Y230 K231 E232 P236Y230-N234 PolarHBondContact O-N 3.36Å; K231-N234 PolarHBondContact O-N 2.67Å; E232-N234 VanDerWaalsContact C-N 3.27Å; E232-N234 PolarHBondContact O-N 2.98Å; N234-P236 WeakPolarHBondContact O-CD 3.42Å
235R54.1Low58.7Low135 Ų135119 Ų11951%0.50959%0.586SS.*  trans-71.7119.7178.5-153.1-179.5-169.7123.80.1109.9E232 N237 I238E232-R235 PolarHBondContact O-N 2.99Å; E232-R235 IonicContact OE1-NH1 2.96Å; E232-R235 PolarHBondContact OE1-NH1 2.88Å; E232-R235 IonicContact OE2-NH1 3.46Å; E232-R235 PolarHBondContact OE2-NH1 3.46Å; R235-N237 PolarHBondContact O-N 3.28Å; R235-I238 HydrophobicContact CB-CD1 3.71Å; R235-I238 HydrophobicContact CB-CG1 4.03Å; R235-I238 HydrophobicContact CG-CD1 4.35Å; R235-I238 PolarHBondContact O-N 3.24Å
236P56.9Low60Low109 Ų109115.6 Ų115.671%0.70857%0.568SS**THydrogen-bonded Turntrans-64.8-10.4-169.222.6-32.6000115N234 T239N234-P236 WeakPolarHBondContact O-CD 3.42Å; P236-T239 PolarHBondContact O-OG1 2.94Å
237N53.6Low61.6Low155 Ų155109.9 Ų109.983%0.82954%0.538SS*.THydrogen-bonded Turntrans-110.17.3-174.6-103.8-9000115.4R235R235-N237 PolarHBondContact O-N 3.28Å
238I53.8Low63.3Low67 Ų67109.9 Ų109.934%0.34454%0.537SS..SBendtrans-91.3-3.9176.3-64179.9000111.6R235 Y242R235-I238 HydrophobicContact CB-CD1 3.71Å; R235-I238 HydrophobicContact CB-CG1 4.03Å; R235-I238 HydrophobicContact CG-CD1 4.35Å; R235-I238 PolarHBondContact O-N 3.24Å; I238-Y242 HydrophobicContact CG2-CD2 3.53Å; I238-Y242 HydrophobicContact CG2-CE2 3.41Å; I238-Y242 VanDerWaalsContact CG2-CE2 3.41Å; I238-Y242 WeakPolarHBondContact O-CD2 3.22Å
239T59.3Low64.9Low77 Ų77105.2 Ų105.247%0.47252%0.521SS..THydrogen-bonded Turntrans-82.8-16.8-147.749.80000119.2P236 K243P236-T239 PolarHBondContact O-OG1 2.94Å; T239-K243 WeakPolarHBondContact O-CD 3.26Å; T239-K243 WeakPolarHBondContact O-CE 3.45Å; T239-K243 WeakPolarHBondContact O-CG 3.34Å
240P57.5Low66.5Low91 Ų91101.6 Ų101.659%0.59150%0.503SS*.THydrogen-bonded Turntrans-95.2-32.617731.4-30.4000114.5Y242 K243P240-Y242 PolarHBondContact O-N 3.36Å; P240-K243 PolarHBondContact O-N 3.48Å
241K63Low68.5Low178 Ų17898.2 Ų98.277%0.77449%0.492SS*.G310 helixtrans-70.9-33.7-170.6-72-172.9179.7-178.80113.7K243K241-K243 VanDerWaalsContact C-N 3.34Å
242Y69.3Low70.6Confident158 Ų15895.8 Ų95.862%0.6249%0.486SS*.G310 helixtrans-82.3-11.5-179.2-65.3-92.1000113.2I238 P240 I244 I245I238-Y242 HydrophobicContact CG2-CD2 3.53Å; I238-Y242 HydrophobicContact CG2-CE2 3.41Å; I238-Y242 VanDerWaalsContact CG2-CE2 3.41Å; I238-Y242 WeakPolarHBondContact O-CD2 3.22Å; P240-Y242 PolarHBondContact O-N 3.36Å; Y242-I244 VanDerWaalsContact C-N 3.28Å; Y242-I244 PolarHBondContact O-N 3.24Å; Y242-I245 HydrophobicContact CD1-CD1 3.49Å; Y242-I245 VanDerWaalsContact CD1-CD1 3.49Å; Y242-I245 HydrophobicContact CE1-CD1 4.4Å; Y242-I245 HydrophobicContact CG-CD1 4.17Å; Y242-I245 WeakPolarHBondContact O-CB 3.32Å; Y242-I245 WeakPolarHBondContact O-CG1 3.48Å; Y242-I245 PolarHBondContact O-N 2.91Å
243K69.5Low72.3Confident97 Ų9797.2 Ų97.242%0.42249%0.491SS..G310 helixtrans-68-26.2179.7-70.8-177.2175.7-172.70113.3Y164 T239 P240 K241 I245Y164-K243 HydrophobicContact CD2-CD 4.13Å; Y164-K243 HydrophobicContact CG-CD 4.41Å; T239-K243 WeakPolarHBondContact O-CD 3.26Å; T239-K243 WeakPolarHBondContact O-CE 3.45Å; T239-K243 WeakPolarHBondContact O-CG 3.34Å; P240-K243 PolarHBondContact O-N 3.48Å; K241-K243 VanDerWaalsContact C-N 3.34Å; K243-I245 VanDerWaalsContact C-N 3.28Å; K243-I245 PolarHBondContact O-N 2.97Å
244I78.3Confident74.2Confident87 Ų8791.4 Ų91.445%0.44646%0.461SS..G310 helixtrans-78.9-10.4-179.9-156.2161.1000113.5Y242 D246 P247 L248Y242-I244 VanDerWaalsContact C-N 3.28Å; Y242-I244 PolarHBondContact O-N 3.24Å; I244-D246 VanDerWaalsContact C-N 3.33Å; I244-D246 PolarHBondContact O-N 2.87Å; I244-P247 WeakPolarHBondContact O-CD 3.34Å; I244-L248 HydrophobicContact CG1-CD1 4.43Å; I244-L248 HydrophobicContact CG1-CG 4.45Å; I244-L248 HydrophobicContact CG2-CD1 4.06Å; I244-L248 VanDerWaalsContact O-CG 3.31Å; I244-L248 WeakPolarHBondContact O-CG 3.3Å; I244-L248 PolarHBondContact O-N 3.05Å
245I82.4Confident76.2Confident79 Ų7989.9 Ų89.941%0.40545%0.452SS..Hα-helixtrans-63.5-40.3-177.2-65174.8000111Y242 K243 L248 C249Y242-I245 HydrophobicContact CD1-CD1 3.49Å; Y242-I245 VanDerWaalsContact CD1-CD1 3.49Å; Y242-I245 HydrophobicContact CE1-CD1 4.4Å; Y242-I245 HydrophobicContact CG-CD1 4.17Å; Y242-I245 WeakPolarHBondContact O-CB 3.32Å; Y242-I245 WeakPolarHBondContact O-CG1 3.48Å; Y242-I245 PolarHBondContact O-N 2.91Å; K243-I245 VanDerWaalsContact C-N 3.28Å; K243-I245 PolarHBondContact O-N 2.97Å; I245-L248 PolarHBondContact O-N 3.4Å; I245-C249 WeakPolarHBondContact O-CB 3.44Å; I245-C249 PolarHBondContact O-N 2.91Å; I245-C249 PolarHBondContact O-SG 3.42Å
246D80.4Confident78.2Confident48 Ų4887.9 Ų87.926%0.25745%0.451SS..Hα-helixtrans-64.4-49.1-176.9166.282.4000113.4R158 I244 L248 C249 T250R158-D246 WeakPolarHBondContact CD-OD2 3.22Å; R158-D246 IonicContact CZ-OD2 3.64Å; R158-D246 IonicContact NE-OD2 3.94Å; R158-D246 IonicContact NH1-OD1 3.81Å; R158-D246 IonicContact NH1-OD2 2.64Å; R158-D246 PolarHBondContact NH1-OD2 3.35Å; I244-D246 VanDerWaalsContact C-N 3.33Å; I244-D246 PolarHBondContact O-N 2.87Å; D246-L248 VanDerWaalsContact C-N 3.35Å; D246-L248 PolarHBondContact O-N 3.35Å; D246-C249 PolarHBondContact O-N 3.35Å; D246-T250 PolarHBondContact O-N 3.04Å; D246-T250 PolarHBondContact O-OG1 2.9Å
247P85.4Confident79.9Confident0 Ų084.8 Ų84.80%043%0.43CS..Hα-helixtrans-59.1-41.3170.4-27.635.1000113.6A155 R158 I159 I244 C249 T250 F251A155-P247 HydrophobicContact CB-CB 4.36Å; R158-P247 HydrophobicContact CG-CG 4.31Å; I159-P247 HydrophobicContact CD1-CB 3.67Å; I159-P247 HydrophobicContact CD1-CG 4.42Å; I159-P247 HydrophobicContact CG1-CB 3.69Å; I159-P247 HydrophobicContact CG1-CG 3.88Å; I244-P247 WeakPolarHBondContact O-CD 3.34Å; P247-C249 PolarHBondContact O-N 3.48Å; P247-T250 WeakPolarHBondContact O-CB 3.46Å; P247-T250 PolarHBondContact O-N 2.97Å; P247-T250 VanDerWaalsContact O-N 3.17Å; P247-F251 HydrophobicContact CB-CE2 4.42Å; P247-F251 WeakPolarHBondContact O-CD2 3.35Å; P247-F251 PolarHBondContact O-N 3.34Å
248L88.6Confident81.9Confident100 Ų10081 Ų8152%0.52441%0.409SS..Hα-helixtrans-61.8-43.3177.7-73.1172.3000112.1I244 I245 D246 T250 F251 L252I244-L248 HydrophobicContact CG1-CD1 4.43Å; I244-L248 HydrophobicContact CG1-CG 4.45Å; I244-L248 HydrophobicContact CG2-CD1 4.06Å; I244-L248 VanDerWaalsContact O-CG 3.31Å; I244-L248 WeakPolarHBondContact O-CG 3.3Å; I244-L248 PolarHBondContact O-N 3.05Å; I245-L248 PolarHBondContact O-N 3.4Å; D246-L248 VanDerWaalsContact C-N 3.35Å; D246-L248 PolarHBondContact O-N 3.35Å; L248-T250 VanDerWaalsContact C-N 3.32Å; L248-T250 PolarHBondContact O-N 3.03Å; L248-F251 PolarHBondContact O-N 2.95Å; L248-L252 WeakPolarHBondContact O-CB 3.46Å; L248-L252 PolarHBondContact O-N 2.96Å
249C88.9Confident83.8Confident51 Ų5182.6 Ų82.635%0.34542%0.418SS..Hα-helixtrans-60.5-43.1173.2-73.30000111I245 D246 P247 F251 L252 F253I245-C249 WeakPolarHBondContact O-CB 3.44Å; I245-C249 PolarHBondContact O-N 2.91Å; I245-C249 PolarHBondContact O-SG 3.42Å; D246-C249 PolarHBondContact O-N 3.35Å; P247-C249 PolarHBondContact O-N 3.48Å; C249-F251 PolarHBondContact O-N 2.91Å; C249-L252 PolarHBondContact O-N 2.95Å; C249-F253 HydrophobicContact CB-CD2 4.34Å; C249-F253 HydrophobicContact CB-CE2 4.29Å; C249-F253 WeakPolarHBondContact O-CD2 3.31Å; C249-F253 PolarHBondContact O-N 2.84Å
250T89.6Confident85.4Confident26 Ų2682.4 Ų82.416%0.1642%0.417CS..Hα-helixtrans-59.8-45.2178-55.70000111.6L151 A155 D246 P247 L248 S254L151-T250 HydrophobicContact CB-CG2 4.23Å; A155-T250 HydrophobicContact CB-CG2 3.97Å; D246-T250 PolarHBondContact O-N 3.04Å; D246-T250 PolarHBondContact O-OG1 2.9Å; P247-T250 WeakPolarHBondContact O-CB 3.46Å; P247-T250 PolarHBondContact O-N 2.97Å; P247-T250 VanDerWaalsContact O-N 3.17Å; L248-T250 VanDerWaalsContact C-N 3.32Å; L248-T250 PolarHBondContact O-N 3.03Å; T250-S254 VanDerWaalsContact O-CB 3.27Å; T250-S254 WeakPolarHBondContact O-CB 3.41Å; T250-S254 PolarHBondContact O-N 3.09Å; T250-S254 PolarHBondContact O-OG 2.72Å
251F93.6Very high87.2Confident65 Ų6578.5 Ų78.529%0.28539%0.391SS..Hα-helixtrans-63-45.1175.6-70.9-66.2000112.4V152 A155 V156 I159 P247 L248 C249 S254 I255V152-F251 HydrophobicContact CG1-CD1 4.27Å; V152-F251 HydrophobicContact CG1-CE1 3.81Å; A155-F251 HydrophobicContact CB-CZ 4.47Å; V156-F251 HydrophobicContact CG2-CE1 4.11Å; V156-F251 HydrophobicContact CG2-CZ 3.75Å; I159-F251 HydrophobicContact CD1-CE2 3.73Å; I159-F251 HydrophobicContact CD1-CZ 4.34Å; P247-F251 HydrophobicContact CB-CE2 4.42Å; P247-F251 WeakPolarHBondContact O-CD2 3.35Å; P247-F251 PolarHBondContact O-N 3.34Å; L248-F251 PolarHBondContact O-N 2.95Å; C249-F251 PolarHBondContact O-N 2.91Å; F251-S254 PolarHBondContact O-N 2.9Å; F251-I255 WeakPolarHBondContact O-CG1 3.49Å; F251-I255 PolarHBondContact O-N 3.38Å
252L94.7Very high88.6Confident118 Ų11873.7 Ų73.762%0.61837%0.373SS*.Hα-helixtrans-59.7-49.4179.3-177.569.4000111.4L248 C249 S254 I255 L256L248-L252 WeakPolarHBondContact O-CB 3.46Å; L248-L252 PolarHBondContact O-N 2.96Å; C249-L252 PolarHBondContact O-N 2.95Å; L252-S254 VanDerWaalsContact C-N 3.34Å; L252-S254 PolarHBondContact O-N 3.5Å; L252-I255 PolarHBondContact O-N 3Å; L252-L256 PolarHBondContact O-N 3.09Å; L252-L256 VanDerWaalsContact O-N 3.12Å
253F92.6Very high89.7Confident130 Ų13070.9 Ų70.957%0.5737%0.369SS*.Hα-helixtrans-65.7-36.8177.8-74.1-61.2000112.1C249 I255 L256 V257C249-F253 HydrophobicContact CB-CD2 4.34Å; C249-F253 HydrophobicContact CB-CE2 4.29Å; C249-F253 WeakPolarHBondContact O-CD2 3.31Å; C249-F253 PolarHBondContact O-N 2.84Å; F253-I255 VanDerWaalsContact C-N 3.34Å; F253-I255 PolarHBondContact O-N 3.36Å; F253-L256 PolarHBondContact O-N 3.47Å; F253-V257 WeakPolarHBondContact O-CB 2.94Å; F253-V257 VanDerWaalsContact O-CG2 3.3Å; F253-V257 WeakPolarHBondContact O-CG2 3.4Å; F253-V257 PolarHBondContact O-N 3.46Å
254S94.2Very high90.7Very high14 Ų1470.4 Ų70.410%0.09837%0.37CS..Hα-helixtrans-62.5-40.2176.7-60.10000112.2V152 T250 F251 L252 V257 L258V152-S254 VanDerWaalsContact CG2-OG 3.23Å; V152-S254 WeakPolarHBondContact CG2-OG 3.42Å; T250-S254 VanDerWaalsContact O-CB 3.27Å; T250-S254 WeakPolarHBondContact O-CB 3.41Å; T250-S254 PolarHBondContact O-N 3.09Å; T250-S254 PolarHBondContact O-OG 2.72Å; F251-S254 PolarHBondContact O-N 2.9Å; L252-S254 VanDerWaalsContact C-N 3.34Å; L252-S254 PolarHBondContact O-N 3.5Å; S254-V257 PolarHBondContact O-N 3.42Å; S254-L258 WeakPolarHBondContact O-CB 3.26Å; S254-L258 PolarHBondContact O-N 2.92Å
255I95.1Very high91.4Very high102 Ų10267.9 Ų67.952%0.52336%0.357SS..Hα-helixtrans-64.6-43.8174.6-67.7166.6000110.6F251 L252 F253 L258 I259F251-I255 WeakPolarHBondContact O-CG1 3.49Å; F251-I255 PolarHBondContact O-N 3.38Å; L252-I255 PolarHBondContact O-N 3Å; F253-I255 VanDerWaalsContact C-N 3.34Å; F253-I255 PolarHBondContact O-N 3.36Å; I255-L258 PolarHBondContact O-N 3.31Å; I255-I259 HydrophobicContact CG2-CD1 3.85Å; I255-I259 HydrophobicContact CG2-CG1 4.5Å; I255-I259 WeakPolarHBondContact O-CG1 3.43Å; I255-I259 PolarHBondContact O-N 3.36Å
256L95.4Very high91.9Very high94 Ų9471.9 Ų71.949%0.49237%0.368SS..Hα-helixtrans-61.7-46.3177.7-171.6161.9000111.5L252 F253 L258 I259 T260L252-L256 PolarHBondContact O-N 3.09Å; L252-L256 VanDerWaalsContact O-N 3.12Å; F253-L256 PolarHBondContact O-N 3.47Å; L256-L258 VanDerWaalsContact C-N 3.31Å; L256-L258 PolarHBondContact O-N 3.45Å; L256-I259 PolarHBondContact O-N 3.44Å; L256-T260 HydrophobicContact CD2-CG2 4Å; L256-T260 WeakPolarHBondContact O-CG2 3.37Å; L256-T260 PolarHBondContact O-N 3.02Å; L256-T260 PolarHBondContact O-OG1 3.03Å
257V93.5Very high92.3Very high43 Ų4372.2 Ų72.226%0.26137%0.369SS..Hα-helixtrans-59.8-42.9175.9169.90000110.6I144 F253 S254 T260 T261I144-V257 HydrophobicContact CG2-CG1 3.51Å; F253-V257 WeakPolarHBondContact O-CB 2.94Å; F253-V257 VanDerWaalsContact O-CG2 3.3Å; F253-V257 WeakPolarHBondContact O-CG2 3.4Å; F253-V257 PolarHBondContact O-N 3.46Å; S254-V257 PolarHBondContact O-N 3.42Å; V257-T260 WeakPolarHBondContact CA-OG1 3.46Å; V257-T260 PolarHBondContact O-N 3.48Å; V257-T260 PolarHBondContact O-OG1 2.99Å; V257-T261 HydrophobicContact CG1-CG2 4.25Å; V257-T261 WeakPolarHBondContact O-CB 3.22Å; V257-T261 VanDerWaalsContact O-CG2 3.27Å; V257-T261 WeakPolarHBondContact O-CG2 3.4Å; V257-T261 PolarHBondContact O-N 3.19Å; V257-T261 PolarHBondContact O-OG1 3.2Å
258L94.1Very high92.6Very high75 Ų7572.6 Ų72.639%0.39337%0.373SS..Hα-helixtrans-61.8-49.2177.3-175.961.4000111.8W145 S254 I255 L256 T260 T261 L262W145-L258 HydrophobicContact CD2-CD1 4.18Å; W145-L258 VanDerWaalsContact CE2-CD1 3.45Å; W145-L258 HydrophobicContact CH2-CD1 3.82Å; W145-L258 HydrophobicContact CZ2-CD1 3.26Å; W145-L258 HydrophobicContact CZ3-CD1 4.45Å; S254-L258 WeakPolarHBondContact O-CB 3.26Å; S254-L258 PolarHBondContact O-N 2.92Å; I255-L258 PolarHBondContact O-N 3.31Å; L256-L258 VanDerWaalsContact C-N 3.31Å; L256-L258 PolarHBondContact O-N 3.45Å; L258-T260 PolarHBondContact O-N 3.29Å; L258-T261 PolarHBondContact O-N 3.24Å; L258-T261 PolarHBondContact O-OG1 3.24Å; L258-L262 HydrophobicContact CD1-CD1 4.46Å; L258-L262 HydrophobicContact CD1-CG 4.29Å; L258-L262 HydrophobicContact CG-CD1 4.17Å; L258-L262 HydrophobicContact CG-CG 4.45Å; L258-L262 WeakPolarHBondContact O-CB 3.27Å; L258-L262 WeakPolarHBondContact O-CG 3.46Å; L258-L262 PolarHBondContact O-N 3.23Å
259I95.3Very high92.8Very high102 Ų10271.5 Ų71.552%0.52337%0.367SS..Hα-helixtrans-60-46.4179.8-67.8167.4000111.3I255 L256I255-I259 HydrophobicContact CG2-CD1 3.85Å; I255-I259 HydrophobicContact CG2-CG1 4.5Å; I255-I259 WeakPolarHBondContact O-CG1 3.43Å; I255-I259 PolarHBondContact O-N 3.36Å; L256-I259 PolarHBondContact O-N 3.44Å
260T93Very high92.9Very high73 Ų7371.6 Ų71.645%0.44836%0.364SS..Hα-helixtrans-67.5-38.7-178.4510000112.3L256 V257 L258L256-T260 HydrophobicContact CD2-CG2 4Å; L256-T260 WeakPolarHBondContact O-CG2 3.37Å; L256-T260 PolarHBondContact O-N 3.02Å; L256-T260 PolarHBondContact O-OG1 3.03Å; V257-T260 WeakPolarHBondContact CA-OG1 3.46Å; V257-T260 PolarHBondContact O-N 3.48Å; V257-T260 PolarHBondContact O-OG1 2.99Å; L258-T260 PolarHBondContact O-N 3.29Å
261T93.6Very high93Very high8 Ų870.7 Ų70.75%0.04936%0.358CS..Hα-helixtrans-77.5-25.5179.654.90000114I144 W145 V257 L258 N263 I264 L265I144-T261 HydrophobicContact CG2-CG2 4.22Å; W145-T261 PolarHBondContact NE1-OG1 2.68Å; V257-T261 HydrophobicContact CG1-CG2 4.25Å; V257-T261 WeakPolarHBondContact O-CB 3.22Å; V257-T261 VanDerWaalsContact O-CG2 3.27Å; V257-T261 WeakPolarHBondContact O-CG2 3.4Å; V257-T261 PolarHBondContact O-N 3.19Å; V257-T261 PolarHBondContact O-OG1 3.2Å; L258-T261 PolarHBondContact O-N 3.24Å; L258-T261 PolarHBondContact O-OG1 3.24Å; T261-N263 VanDerWaalsContact C-N 3.25Å; T261-N263 PolarHBondContact O-N 2.96Å; T261-I264 PolarHBondContact O-N 3.44Å; T261-L265 WeakPolarHBondContact O-CB 3.45Å; T261-L265 PolarHBondContact O-N 3.47Å
262L93.8Very high93Very high77 Ų7770.6 Ų70.640%0.40336%0.36SS..Hα-helixtrans-60.1-34.8174.4-80.3170.3000112.6W145 L258 L265 R266W145-L262 HydrophobicContact CH2-CD2 3.83Å; W145-L262 HydrophobicContact CZ2-CD2 3.69Å; W145-L262 HydrophobicContact CZ2-CG 4.15Å; L258-L262 HydrophobicContact CD1-CD1 4.46Å; L258-L262 HydrophobicContact CD1-CG 4.29Å; L258-L262 HydrophobicContact CG-CD1 4.17Å; L258-L262 HydrophobicContact CG-CG 4.45Å; L258-L262 WeakPolarHBondContact O-CB 3.27Å; L258-L262 WeakPolarHBondContact O-CG 3.46Å; L258-L262 PolarHBondContact O-N 3.23Å; L262-L265 HydrophobicContact CD2-CD2 4.42Å; L262-L265 PolarHBondContact O-N 3.33Å; L262-R266 WeakPolarHBondContact O-CB 3.41Å; L262-R266 PolarHBondContact O-N 2.93Å
263N90.9Very high92.9Very high99 Ų9972 Ų7253%0.52937%0.366SS..Hα-helixtrans-65.4-46176.2-70.2-18.1000111.5T261 R266 D267T261-N263 VanDerWaalsContact C-N 3.25Å; T261-N263 PolarHBondContact O-N 2.96Å; N263-R266 PolarHBondContact O-N 3.26Å; N263-D267 PolarHBondContact O-N 3.45Å
264I90.6Very high93Very high88 Ų8870.9 Ų70.945%0.45136%0.362SS..Hα-helixtrans-63.2-43.5177.5-58.3172.1000110.4V141 T261 R266 D267 A268V141-I264 HydrophobicContact CG2-CB 4.36Å; V141-I264 HydrophobicContact CG2-CG2 3.88Å; T261-I264 PolarHBondContact O-N 3.44Å; I264-R266 PolarHBondContact O-N 3.45Å; I264-D267 PolarHBondContact O-N 2.93Å; I264-A268 PolarHBondContact O-N 2.98Å
265L93.4Very high92.9Very high33 Ų3371.8 Ų71.817%0.17337%0.37CS..Hα-helixtrans-58.8-46.9175.9178.661.4000111.2L138 V141 W145 T261 L262 D267 A268 L269L138-L265 HydrophobicContact CD2-CD1 3.42Å; L138-L265 VanDerWaalsContact CD2-CD1 3.42Å; V141-L265 HydrophobicContact CG1-CB 4.44Å; W145-L265 HydrophobicContact CH2-CD2 4.06Å; W145-L265 HydrophobicContact CZ2-CD2 4.14Å; T261-L265 WeakPolarHBondContact O-CB 3.45Å; T261-L265 PolarHBondContact O-N 3.47Å; L262-L265 HydrophobicContact CD2-CD2 4.42Å; L262-L265 PolarHBondContact O-N 3.33Å; L265-D267 VanDerWaalsContact C-N 3.32Å; L265-D267 PolarHBondContact O-N 2.8Å; L265-A268 PolarHBondContact O-N 2.85Å; L265-L269 HydrophobicContact CD1-CD1 4.01Å; L265-L269 HydrophobicContact CD1-CG 4.06Å; L265-L269 HydrophobicContact CG-CD1 3.93Å; L265-L269 HydrophobicContact CG-CG 4.37Å; L265-L269 WeakPolarHBondContact O-CB 3.34Å; L265-L269 VanDerWaalsContact O-CG 3.26Å; L265-L269 WeakPolarHBondContact O-CG 3.42Å; L265-L269 PolarHBondContact O-N 3.41Å
266R92.2Very high92.8Very high164 Ų16469.6 Ų69.662%0.61936%0.362SS*.Hα-helixtrans-60.7-41.2178.1-171.9178.6-177.6173.60.5111.9L262 N263 I264 N270L262-R266 WeakPolarHBondContact O-CB 3.41Å; L262-R266 PolarHBondContact O-N 2.93Å; N263-R266 PolarHBondContact O-N 3.26Å; I264-R266 PolarHBondContact O-N 3.45Å; R266-N270 WeakPolarHBondContact O-CB 3.24Å; R266-N270 PolarHBondContact O-N 2.97Å; R266-N270 PolarHBondContact O-ND2 3.44Å; R266-N270 PolarHBondContact O-OD1 3.28Å
267D89.4Confident92.4Very high54 Ų5466.2 Ų66.229%0.28935%0.346SS..Hα-helixtrans-64.3-46.3176.3-80.9-45.6000112.6N263 I264 L265 L269 N270 V271 R278N263-D267 PolarHBondContact O-N 3.45Å; I264-D267 PolarHBondContact O-N 2.93Å; L265-D267 VanDerWaalsContact C-N 3.32Å; L265-D267 PolarHBondContact O-N 2.8Å; D267-L269 PolarHBondContact O-N 3.01Å; D267-N270 WeakPolarHBondContact O-CB 3.39Å; D267-N270 PolarHBondContact O-N 3.48Å; D267-V271 PolarHBondContact O-N 2.83Å; D267-R278 WeakPolarHBondContact OD1-CD 3.33Å; D267-R278 IonicContact OD1-CZ 2.88Å; D267-R278 IonicContact OD1-NE 2.78Å; D267-R278 PolarHBondContact OD1-NE 3.5Å; D267-R278 VanDerWaalsContact OD1-NE 3.08Å; D267-R278 IonicContact OD1-NH1 3.52Å; D267-R278 PolarHBondContact OD1-NH1 3.06Å; D267-R278 IonicContact OD1-NH2 3.41Å; D267-R278 PolarHBondContact OD1-NH2 3.31Å; D267-R278 IonicContact OD2-CZ 3.78Å; D267-R278 IonicContact OD2-NH1 2.81Å; D267-R278 PolarHBondContact OD2-NH1 2.73Å; D267-R278 IonicContact OD2-NH2 3.99Å
268A91.6Very high91.9Very high9 Ų971.1 Ų71.17%0.07436%0.359CS..Hα-helixtrans-65.4-39.3177.800000112.5V134 L138 I264 L265 V271 L272V134-A268 HydrophobicContact CG1-CB 3.75Å; V134-A268 WeakPolarHBondContact CG1-O 3.48Å; L138-A268 HydrophobicContact CD1-CB 4.15Å; L138-A268 HydrophobicContact CD2-CB 3.52Å; L138-A268 HydrophobicContact CG-CB 3.63Å; I264-A268 PolarHBondContact O-N 2.98Å; L265-A268 PolarHBondContact O-N 2.85Å; A268-V271 PolarHBondContact O-N 2.96Å; A268-L272 PolarHBondContact O-N 2.88Å; A268-L272 VanDerWaalsContact O-N 3.07Å
269L93.2Very high91.4Very high76 Ų7671.8 Ų71.840%0.39839%0.385SS..Hα-helixtrans-65.3-40.2174.5-72.2176.3000112L265 D267 V271 L272 M273L265-L269 HydrophobicContact CD1-CD1 4.01Å; L265-L269 HydrophobicContact CD1-CG 4.06Å; L265-L269 HydrophobicContact CG-CD1 3.93Å; L265-L269 HydrophobicContact CG-CG 4.37Å; L265-L269 WeakPolarHBondContact O-CB 3.34Å; L265-L269 VanDerWaalsContact O-CG 3.26Å; L265-L269 WeakPolarHBondContact O-CG 3.42Å; L265-L269 PolarHBondContact O-N 3.41Å; D267-L269 PolarHBondContact O-N 3.01Å; L269-V271 VanDerWaalsContact C-N 3.26Å; L269-V271 PolarHBondContact O-N 3.5Å; L269-L272 PolarHBondContact O-N 3.43Å; L269-L272 VanDerWaalsContact O-N 3.17Å; L269-M273 WeakPolarHBondContact O-CB 3.3Å; L269-M273 WeakPolarHBondContact O-CG 3.44Å; L269-M273 PolarHBondContact O-N 2.85Å
270N92Very high90.9Very high53 Ų5368.2 Ų68.228%0.28337%0.367SS..Hα-helixtrans-57.4-41175.1-76.4-11.6000111.6R266 D267 E274 A275R266-N270 WeakPolarHBondContact O-CB 3.24Å; R266-N270 PolarHBondContact O-N 2.97Å; R266-N270 PolarHBondContact O-ND2 3.44Å; R266-N270 PolarHBondContact O-OD1 3.28Å; D267-N270 WeakPolarHBondContact O-CB 3.39Å; D267-N270 PolarHBondContact O-N 3.48Å; N270-E274 PolarHBondContact O-N 2.88Å; N270-A275 HydrophobicContact CB-CB 4.14Å; N270-A275 VanDerWaalsContact O-CB 3.28Å; N270-A275 WeakPolarHBondContact O-CB 3.47Å; N270-A275 PolarHBondContact O-N 3.49Å
271V91.6Very high90.8Very high7 Ų768.8 Ų68.84%0.04237%0.367CS..Hα-helixtrans-67.7-42.1176.5-179.80000111.6V134 D267 A268 L269 M273 E274V134-V271 HydrophobicContact CG1-CB 4.26Å; V134-V271 HydrophobicContact CG2-CB 4.22Å; V134-V271 HydrophobicContact CG2-CG1 3.8Å; D267-V271 PolarHBondContact O-N 2.83Å; A268-V271 PolarHBondContact O-N 2.96Å; L269-V271 VanDerWaalsContact C-N 3.26Å; L269-V271 PolarHBondContact O-N 3.5Å; V271-M273 VanDerWaalsContact C-N 3.32Å; V271-M273 PolarHBondContact O-N 2.68Å; V271-E274 PolarHBondContact O-N 3.17Å
272L92.5Very high90.8Very high63 Ų6370.2 Ų70.233%0.3337%0.373SS..Hα-helixtrans-65.4-35.1177.3-73.4-172.8000113.3V134 L138 A268 L269 E274V134-L272 HydrophobicContact CG1-CD2 4.37Å; V134-L272 HydrophobicContact CG1-CG 4.2Å; L138-L272 HydrophobicContact CD1-CD1 3.27Å; L138-L272 HydrophobicContact CD1-CG 4.09Å; A268-L272 PolarHBondContact O-N 2.88Å; A268-L272 VanDerWaalsContact O-N 3.07Å; L269-L272 PolarHBondContact O-N 3.43Å; L269-L272 VanDerWaalsContact O-N 3.17Å; L272-E274 PolarHBondContact O-N 3.44Å
273M93.7Very high90.7Very high149 Ų14970.5 Ų70.573%0.73437%0.374SS*.THydrogen-bonded Turntrans-828.5178.1-65-60.7-61.800113.1L269 V271 A275L269-M273 WeakPolarHBondContact O-CB 3.3Å; L269-M273 WeakPolarHBondContact O-CG 3.44Å; L269-M273 PolarHBondContact O-N 2.85Å; V271-M273 VanDerWaalsContact C-N 3.32Å; V271-M273 PolarHBondContact O-N 2.68Å; M273-A275 PolarHBondContact O-N 3.37Å
274E93.7Very high90.9Very high105 Ų10569.5 Ų69.549%0.49137%0.367SS..THydrogen-bonded Turntrans58.331.6178.2-48.1-163.8149.700113.2R131 N270 V271 L272 W304R131-E274 IonicContact CZ-OE1 3.84Å; R131-E274 IonicContact NH1-OE1 3.56Å; R131-E274 PolarHBondContact NH1-OE1 3.32Å; R131-E274 VanDerWaalsContact NH1-OE1 3.11Å; R131-E274 IonicContact NH2-OE1 2.9Å; R131-E274 PolarHBondContact NH2-OE1 3.22Å; N270-E274 PolarHBondContact O-N 2.88Å; V271-E274 PolarHBondContact O-N 3.17Å; L272-E274 PolarHBondContact O-N 3.44Å; E274-W304 HydrophobicContact CB-CB 3.94Å; E274-W304 HydrophobicContact CB-CG 4.42Å; E274-W304 WeakPolarHBondContact O-CB 3.25Å
275A92.6Very high91Very high33 Ų3365.4 Ų65.427%0.27335%0.346SS..PPolyproline II helixtrans-72.7153.2178.400000111.8N270 M273 S305N270-A275 HydrophobicContact CB-CB 4.14Å; N270-A275 VanDerWaalsContact O-CB 3.28Å; N270-A275 WeakPolarHBondContact O-CB 3.47Å; N270-A275 PolarHBondContact O-N 3.49Å; M273-A275 PolarHBondContact O-N 3.37Å; A275-S305 PolarHBondContact O-N 2.9Å; A275-S305 PolarHBondContact O-OG 3.48Å; A275-S305 VanDerWaalsContact O-OG 3.14Å
276T92.1Very high91.1Very high57 Ų5765.2 Ų65.235%0.3534%0.344SS..PPolyproline II helixtrans-56.2132.1170.5-49.30000110.1L280 I303T276-L280 HydrophobicContact CG2-CB 4.43Å; T276-L280 HydrophobicContact CG2-CD2 3.98Å; T276-L280 WeakPolarHBondContact CG2-O 3.22Å; T276-I303 WeakPolarHBondContact CA-O 3.49Å; T276-I303 HydrophobicContact CG2-CB 4.26Å; T276-I303 HydrophobicContact CG2-CG2 4.07Å; T276-I303 PolarHBondContact OG1-O 3.23Å
277P88.4Confident91.2Very high23 Ų2360.2 Ų60.215%0.14933%0.333CS..PPolyproline II helixtrans-60.7146.3-179.223.5-32.9000111.8G279 L280 S305 T311P277-G279 PolarHBondContact O-N 3.12Å; P277-L280 HydrophobicContact CG-CB 3.94Å; P277-L280 HydrophobicContact CG-CD1 4.4Å; P277-L280 PolarHBondContact O-N 3.34Å; P277-S305 VanDerWaalsContact CA-OG 3.31Å; P277-S305 WeakPolarHBondContact CA-OG 3.3Å; P277-S305 VanDerWaalsContact CB-OG 3.32Å; P277-S305 WeakPolarHBondContact CB-OG 3.3Å; P277-S305 WeakPolarHBondContact CD-OG 3.45Å; P277-T311 HydrophobicContact CG-CG2 3.82Å
278R82.4Confident91.4Very high145 Ų14558.1 Ų58.155%0.54732%0.323SS..THydrogen-bonded Turntrans-62.5122.2173.5-66.9-173.6179.2159.615108.8D267D267-R278 WeakPolarHBondContact OD1-CD 3.33Å; D267-R278 IonicContact OD1-CZ 2.88Å; D267-R278 IonicContact OD1-NE 2.78Å; D267-R278 PolarHBondContact OD1-NE 3.5Å; D267-R278 VanDerWaalsContact OD1-NE 3.08Å; D267-R278 IonicContact OD1-NH1 3.52Å; D267-R278 PolarHBondContact OD1-NH1 3.06Å; D267-R278 IonicContact OD1-NH2 3.41Å; D267-R278 PolarHBondContact OD1-NH2 3.31Å; D267-R278 IonicContact OD2-CZ 3.78Å; D267-R278 IonicContact OD2-NH1 2.81Å; D267-R278 PolarHBondContact OD2-NH1 2.73Å; D267-R278 IonicContact OD2-NH2 3.99Å
279G83.2Confident91.6Very high90 Ų9057.7 Ų57.793%0.92832%0.319SS*.THydrogen-bonded Turntrans109.7-15.2-179.700000114.5P277P277-G279 PolarHBondContact O-N 3.12Å
280L86.1Confident91.7Very high27 Ų2757.5 Ų57.514%0.14132%0.317CS..  trans-101.5118.3174.2-167.7158.5000109.9T276 P277 V285 I303 T311T276-L280 HydrophobicContact CG2-CB 4.43Å; T276-L280 HydrophobicContact CG2-CD2 3.98Å; T276-L280 WeakPolarHBondContact CG2-O 3.22Å; P277-L280 HydrophobicContact CG-CB 3.94Å; P277-L280 HydrophobicContact CG-CD1 4.4Å; P277-L280 PolarHBondContact O-N 3.34Å; L280-V285 HydrophobicContact CD1-CG2 4.35Å; L280-V285 HydrophobicContact CD2-CG2 3.5Å; L280-V285 VanDerWaalsContact CD2-CG2 3.5Å; L280-V285 HydrophobicContact CG-CG2 3.98Å; L280-I303 HydrophobicContact CD1-CG2 4Å; L280-I303 HydrophobicContact CD2-CD1 3.62Å; L280-I303 HydrophobicContact CD2-CG2 3.9Å; L280-T311 HydrophobicContact CD1-CG2 4.24Å
281N90.7Very high91.9Very high85 Ų8561.1 Ų61.146%0.45534%0.337SS..  trans-89.3118.2177.4-171.5-24.7000110.4N283 E284 V285N281-N283 PolarHBondContact O-N 2.98Å; N281-N283 PolarHBondContact OD1-N 2.99Å; N281-E284 HydrophobicContact CB-CB 3.96Å; N281-E284 PolarHBondContact O-N 3.31Å; N281-E284 VanDerWaalsContact O-N 3.1Å; N281-V285 PolarHBondContact O-N 2.77Å
282F92.2Very high92Very high38 Ų3861.4 Ų61.417%0.16734%0.338CS..Hα-helixtrans-50.2-45.2177.3179.1-88.9000112.6E284 V285 K286 L301 I303 P365F282-E284 VanDerWaalsContact C-N 3.34Å; F282-E284 PolarHBondContact O-N 2.93Å; F282-V285 PolarHBondContact O-N 3.48Å; F282-K286 WeakPolarHBondContact O-CB 3.45Å; F282-K286 PolarHBondContact O-N 3.48Å; F282-L301 HydrophobicContact CD2-CD2 4.09Å; F282-L301 HydrophobicContact CD2-CG 4.31Å; F282-L301 HydrophobicContact CE1-CD2 4.37Å; F282-L301 HydrophobicContact CE2-CB 3.96Å; F282-L301 HydrophobicContact CE2-CD2 3.68Å; F282-L301 HydrophobicContact CE2-CG 3.68Å; F282-L301 WeakPolarHBondContact CE2-O 3.28Å; F282-L301 HydrophobicContact CZ-CB 4.05Å; F282-L301 HydrophobicContact CZ-CD2 3.83Å; F282-L301 HydrophobicContact CZ-CG 4.12Å; F282-I303 HydrophobicContact CD2-CD1 4.41Å; F282-P365 HydrophobicContact CE1-CG 4.2Å; F282-P365 HydrophobicContact CE2-CG 4.19Å; F282-P365 HydrophobicContact CZ-CG 3.84Å
283N92.9Very high92.1Very high82 Ų8263 Ų6344%0.43935%0.352SS..Hα-helixtrans-69.4-33.6-177-64.6-47.8000112.1N281 K286 S287N281-N283 PolarHBondContact O-N 2.98Å; N281-N283 PolarHBondContact OD1-N 2.99Å; N283-K286 PolarHBondContact O-N 3.27Å; N283-S287 WeakPolarHBondContact O-CB 3.28Å; N283-S287 PolarHBondContact O-N 3.21Å; N283-S287 PolarHBondContact O-OG 3.28Å; N283-S287 VanDerWaalsContact O-OG 3.05Å
284E93.5Very high92Very high79 Ų7956.8 Ų56.837%0.36933%0.326SS..Hα-helixtrans-69.1-42.5178.7-163.7-159.6147.400111.5N281 F282 S287 S288 R339 Y340N281-E284 HydrophobicContact CB-CB 3.96Å; N281-E284 PolarHBondContact O-N 3.31Å; N281-E284 VanDerWaalsContact O-N 3.1Å; F282-E284 VanDerWaalsContact C-N 3.34Å; F282-E284 PolarHBondContact O-N 2.93Å; E284-S287 PolarHBondContact O-N 3.39Å; E284-S288 WeakPolarHBondContact O-CB 3.37Å; E284-S288 PolarHBondContact O-N 3.26Å; E284-S288 PolarHBondContact O-OG 3.22Å; E284-R339 IonicContact OE1-CZ 3.9Å; E284-R339 IonicContact OE1-NE 3.77Å; E284-R339 IonicContact OE1-NH2 3.85Å; E284-R339 PolarHBondContact OE1-NH2 3.19Å; E284-Y340 PolarHBondContact O-OH 3.17Å; E284-Y340 PolarHBondContact OE1-OH 3.41Å
285V94.2Very high92.1Very high1 Ų152.5 Ų52.51%0.00631%0.307CS..Hα-helixtrans-62.9-45.2174.8175.20000110.5L280 N281 F282 S288 L289 I303 L336 Y340L280-V285 HydrophobicContact CD1-CG2 4.35Å; L280-V285 HydrophobicContact CD2-CG2 3.5Å; L280-V285 VanDerWaalsContact CD2-CG2 3.5Å; L280-V285 HydrophobicContact CG-CG2 3.98Å; N281-V285 PolarHBondContact O-N 2.77Å; F282-V285 PolarHBondContact O-N 3.48Å; V285-S288 PolarHBondContact O-N 2.97Å; V285-L289 HydrophobicContact CG1-CD1 3.92Å; V285-L289 HydrophobicContact CG1-CG 4.48Å; V285-L289 WeakPolarHBondContact O-CG 3.49Å; V285-L289 PolarHBondContact O-N 3.1Å; V285-I303 HydrophobicContact CB-CD1 3.97Å; V285-I303 HydrophobicContact CG1-CD1 3.9Å; V285-I303 HydrophobicContact CG2-CD1 4.11Å; V285-L336 HydrophobicContact CG1-CD2 3.74Å; V285-Y340 HydrophobicContact CB-CE2 4.44Å; V285-Y340 HydrophobicContact CG2-CD1 3.68Å; V285-Y340 HydrophobicContact CG2-CD2 4.01Å; V285-Y340 HydrophobicContact CG2-CE1 3.64Å; V285-Y340 HydrophobicContact CG2-CE2 3.95Å; V285-Y340 HydrophobicContact CG2-CG 3.87Å
286K94.2Very high92.1Very high30 Ų3057.5 Ų57.513%0.1332%0.319CS..Hα-helixtrans-58.2-52.1177-170.4-168.4-178.9-134.40111.6F282 N283 S288 L289 M290 L301 E364F282-K286 WeakPolarHBondContact O-CB 3.45Å; F282-K286 PolarHBondContact O-N 3.48Å; N283-K286 PolarHBondContact O-N 3.27Å; K286-S288 VanDerWaalsContact C-N 3.34Å; K286-S288 PolarHBondContact O-N 3.43Å; K286-L289 PolarHBondContact O-N 3.37Å; K286-M290 HydrophobicContact CD-CE 4.27Å; K286-M290 HydrophobicContact CG-CE 4.1Å; K286-M290 WeakPolarHBondContact O-CG 3.48Å; K286-M290 PolarHBondContact O-N 3.14Å; K286-L301 HydrophobicContact CB-CD2 3.98Å; K286-L301 HydrophobicContact CG-CD2 4.47Å; K286-E364 WeakPolarHBondContact CE-OE1 3.24Å; K286-E364 IonicContact NZ-OE1 2.93Å; K286-E364 PolarHBondContact NZ-OE1 3.02Å
287S94.5Very high92.1Very high58 Ų5857 Ų5741%0.40631%0.312SS..Hα-helixtrans-59.5-45.5179.7-64.10000111.7N283 E284 L289 M290 D291N283-S287 WeakPolarHBondContact O-CB 3.28Å; N283-S287 PolarHBondContact O-N 3.21Å; N283-S287 PolarHBondContact O-OG 3.28Å; N283-S287 VanDerWaalsContact O-OG 3.05Å; E284-S287 PolarHBondContact O-N 3.39Å; S287-L289 VanDerWaalsContact C-N 3.29Å; S287-L289 PolarHBondContact O-N 3.29Å; S287-M290 PolarHBondContact O-N 3.32Å; S287-M290 VanDerWaalsContact O-N 3.07Å; S287-D291 VanDerWaalsContact O-CG 3.28Å; S287-D291 PolarHBondContact O-N 3.21Å
288S95.2Very high92.3Very high10 Ų1056.3 Ų56.37%0.0731%0.308CS..Hα-helixtrans-66.5-30.6-178.8-57.40000113.2E284 V285 K286 L335 R339 Y340E284-S288 WeakPolarHBondContact O-CB 3.37Å; E284-S288 PolarHBondContact O-N 3.26Å; E284-S288 PolarHBondContact O-OG 3.22Å; V285-S288 PolarHBondContact O-N 2.97Å; K286-S288 VanDerWaalsContact C-N 3.34Å; K286-S288 PolarHBondContact O-N 3.43Å; S288-L335 VanDerWaalsContact O-CD2 3.29Å; S288-L335 WeakPolarHBondContact O-CD2 3.33Å; S288-R339 PolarHBondContact OG-NH1 3.05Å; S288-Y340 WeakPolarHBondContact CB-OH 3.37Å; S288-Y340 PolarHBondContact OG-OH 3.32Å
289L95.4Very high92.8Very high0 Ų050 Ų500%028%0.284CS..Hα-helixtrans-74.8-32.5172.5-74.4168.8000112.2V285 K286 S287 D291 I292 I298 L301 V315 L317 A332 L335 L336V285-L289 HydrophobicContact CG1-CD1 3.92Å; V285-L289 HydrophobicContact CG1-CG 4.48Å; V285-L289 WeakPolarHBondContact O-CG 3.49Å; V285-L289 PolarHBondContact O-N 3.1Å; K286-L289 PolarHBondContact O-N 3.37Å; S287-L289 VanDerWaalsContact C-N 3.29Å; S287-L289 PolarHBondContact O-N 3.29Å; L289-D291 VanDerWaalsContact C-N 3.28Å; L289-I292 HydrophobicContact CD2-CD1 4.01Å; L289-I292 WeakPolarHBondContact O-CB 3.37Å; L289-I292 WeakPolarHBondContact O-CG1 3.47Å; L289-I292 PolarHBondContact O-N 3.35Å; L289-I298 HydrophobicContact CB-CD1 3.18Å; L289-I298 HydrophobicContact CD1-CD1 4.28Å; L289-I298 HydrophobicContact CG-CD1 4.37Å; L289-L301 HydrophobicContact CD1-CD1 4.49Å; L289-V315 HydrophobicContact CD1-CG1 4.41Å; L289-V315 HydrophobicContact CD1-CG2 4.25Å; L289-L317 HydrophobicContact CB-CD2 4.48Å; L289-A332 HydrophobicContact CD2-CB 4.01Å; L289-L335 HydrophobicContact CD2-CD2 4.01Å; L289-L335 HydrophobicContact CG-CD2 4.25Å; L289-L336 HydrophobicContact CD1-CD2 4.28Å; L289-L336 HydrophobicContact CD2-CD1 4.25Å; L289-L336 HydrophobicContact CD2-CD2 4.41Å; L289-L336 HydrophobicContact CD2-CG 4.16Å
290M94.6Very high93.1Very high72 Ų7248.7 Ų48.736%0.35526%0.256SS..Hα-helixtrans-70.3-26.3175.2-73.4-170.5-6200112K286 S287 I292 I298K286-M290 HydrophobicContact CD-CE 4.27Å; K286-M290 HydrophobicContact CG-CE 4.1Å; K286-M290 WeakPolarHBondContact O-CG 3.48Å; K286-M290 PolarHBondContact O-N 3.14Å; S287-M290 PolarHBondContact O-N 3.32Å; S287-M290 VanDerWaalsContact O-N 3.07Å; M290-I292 PolarHBondContact O-N 3.18Å; M290-I298 HydrophobicContact CB-CD1 4.36Å; M290-I298 HydrophobicContact CG-CD1 3.53Å; M290-I298 HydrophobicContact CG-CG1 3.76Å
291D95.3Very high93.5Very high129 Ų12948.2 Ų48.269%0.6925%0.253SS*.THydrogen-bonded Turntrans-70.9-7.3176.7-67.6-24000113.3S287 L289S287-D291 VanDerWaalsContact O-CG 3.28Å; S287-D291 PolarHBondContact O-N 3.21Å; L289-D291 VanDerWaalsContact C-N 3.28Å
292I94.5Very high93.7Very high14 Ų1448.8 Ų48.87%0.07225%0.253CS..SBendtrans-73.9124.3178-61.3175.5000109.7L289 M290 G294 V295 I328 Q331 A332 L335L289-I292 HydrophobicContact CD2-CD1 4.01Å; L289-I292 WeakPolarHBondContact O-CB 3.37Å; L289-I292 WeakPolarHBondContact O-CG1 3.47Å; L289-I292 PolarHBondContact O-N 3.35Å; M290-I292 PolarHBondContact O-N 3.18Å; I292-G294 PolarHBondContact O-N 2.93Å; I292-V295 HydrophobicContact CB-CG2 3.94Å; I292-V295 HydrophobicContact CG2-CG2 4.09Å; I292-V295 WeakPolarHBondContact O-CB 3.47Å; I292-V295 PolarHBondContact O-N 2.98Å; I292-V295 VanDerWaalsContact O-N 3.13Å; I292-I328 HydrophobicContact CG2-CG2 4.17Å; I292-Q331 HydrophobicContact CG2-CB 4.23Å; I292-A332 VanDerWaalsContact CD1-CA 3.49Å; I292-A332 HydrophobicContact CD1-CB 3.66Å; I292-L335 HydrophobicContact CD1-CD2 4.17Å
293P93.8Very high93.8Very high97 Ų9747.4 Ų47.463%0.6325%0.247SC*.THydrogen-bonded Turntrans-56.2129-179.8-25.534.4000112.8I328P293-I328 WeakPolarHBondContact O-CG1 3.35Å
294G92.7Very high93.9Very high17 Ų1745.5 Ų45.518%0.17523%0.234CC..THydrogen-bonded Turntrans91.8-6.8-18000000115I292 I319 E320 S323I292-G294 PolarHBondContact O-N 2.93Å; G294-I319 WeakPolarHBondContact O-CA 3.47Å; G294-I319 WeakPolarHBondContact O-CB 3.3Å; G294-E320 PolarHBondContact O-N 3.24Å; G294-S323 VanDerWaalsContact CA-OG 3.3Å; G294-S323 WeakPolarHBondContact CA-OG 3.32Å
295V94.7Very high93.7Very high16 Ų1642.1 Ų42.110%0.09722%0.219CC..EExtended strand (participates in β ladder)trans-84.2121.5168.6-179.20000109.2I292 I298 L317 I319 I328I292-V295 HydrophobicContact CB-CG2 3.94Å; I292-V295 HydrophobicContact CG2-CG2 4.09Å; I292-V295 WeakPolarHBondContact O-CB 3.47Å; I292-V295 PolarHBondContact O-N 2.98Å; I292-V295 VanDerWaalsContact O-N 3.13Å; V295-I298 HydrophobicContact CG1-CD1 4.45Å; V295-I298 HydrophobicContact CG1-CG1 3.96Å; V295-L317 HydrophobicContact CG1-CB 4.48Å; V295-L317 HydrophobicContact CG1-CD2 4.34Å; V295-L317 HydrophobicContact CG2-CD1 4.4Å; V295-I319 HydrophobicContact CG2-CG2 4.42Å; V295-I328 HydrophobicContact CG2-CG2 3.74Å
296R92.7Very high93.4Very high138 Ų13842.2 Ų42.252%0.52122%0.22SC..EExtended strand (participates in β ladder)trans-98.6-38-179.7-177.6166.2171.6178.5-1.7112.7A318 E320 Y352R296-A318 PolarHBondContact N-O 3.26Å; R296-E320 HydrophobicContact CB-CG 4.46Å; R296-Y352 HydrophobicContact CB-CD2 4.04Å; R296-Y352 HydrophobicContact CB-CG 4.3Å; R296-Y352 VanDerWaalsContact CD-CG 3.46Å; R296-Y352 HydrophobicContact CG-CD2 3.71Å; R296-Y352 HydrophobicContact CG-CE2 3.93Å; R296-Y352 HydrophobicContact CG-CG 4.01Å
297E91.8Very high93Very high46 Ų4641.1 Ų41.122%0.21522%0.215CC..EExtended strand (participates in β ladder)trans-147.9154.8178.5-174.5170-178.800110.9A318 Y352E297-A318 HydrophobicContact CB-CB 4.14Å; E297-A318 PolarHBondContact N-O 3.02Å; E297-A318 PolarHBondContact O-N 2.91Å; E297-Y352 HydrophobicContact CB-CD2 4.08Å; E297-Y352 HydrophobicContact CB-CE2 3.96Å; E297-Y352 VanDerWaalsContact OE2-CE2 3.28Å; E297-Y352 WeakPolarHBondContact OE2-CE2 3.41Å
298I93.1Very high92.3Very high9 Ų942.5 Ų42.55%0.04622%0.222CC..EExtended strand (participates in β ladder)trans-125131.5174.5-58.2-174000108.7L289 M290 V295 L301 V315 L317L289-I298 HydrophobicContact CB-CD1 3.18Å; L289-I298 HydrophobicContact CD1-CD1 4.28Å; L289-I298 HydrophobicContact CG-CD1 4.37Å; M290-I298 HydrophobicContact CB-CD1 4.36Å; M290-I298 HydrophobicContact CG-CD1 3.53Å; M290-I298 HydrophobicContact CG-CG1 3.76Å; V295-I298 HydrophobicContact CG1-CD1 4.45Å; V295-I298 HydrophobicContact CG1-CG1 3.96Å; I298-L301 HydrophobicContact CG2-CB 4.41Å; I298-V315 HydrophobicContact CG2-CG2 3.4Å; I298-V315 VanDerWaalsContact CG2-CG2 3.4Å; I298-L317 HydrophobicContact CB-CD2 4.44Å; I298-L317 HydrophobicContact CD1-CD2 3.76Å; I298-L317 HydrophobicContact CG1-CD2 3.67Å; I298-L317 HydrophobicContact CG2-CD2 4.2Å
299H92.3Very high91.6Very high11 Ų1147.3 Ų47.35%0.05125%0.247CC..EExtended strand (participates in β ladder)trans-139.1168.6175.853.498.3000110.7L301 H316 E350 C362H299-L301 PolarHBondContact O-N 3.47Å; H299-L301 VanDerWaalsContact O-N 3.08Å; H299-H316 WeakPolarHBondContact CE1-CB 3.29Å; H299-H316 AromaticContact CE1-CG 3.96Å; H299-H316 AromaticContact CE1-ND1 3.88Å; H299-H316 PolarHBondContact N-O 3.29Å; H299-H316 VanDerWaalsContact N-O 3.11Å; H299-H316 WeakPolarHBondContact ND1-CB 3.02Å; H299-H316 WeakPolarHBondContact O-CB 3.35Å; H299-H316 PolarHBondContact O-N 3.49Å; H299-E350 IonicContact CE1-OE2 2.68Å; H299-E350 IonicContact NE2-OE2 3.08Å; H299-C362 HydrophobicContact CB-CB 3.69Å
300N91.6Very high91.2Very high64 Ų6448.7 Ų48.734%0.34225%0.253SS..EExtended strand (participates in β ladder)trans53.134.8177.6-149.327.9000113.3H302 H316N300-H302 PolarHBondContact O-CD2 2.84Å; N300-H302 PolarHBondContact O-N 3.27Å; N300-H302 PolarHBondContact OD1-NE2 3.44Å; N300-H316 HydrophobicContact CB-CB 4.39Å; N300-H316 PolarHBondContact ND2-NE2 2.92Å; N300-H316 VanDerWaalsContact ND2-NE2 3.13Å
301L93.9Very high91Very high16 Ų1646.2 Ų46.28%0.08424%0.241CC..EExtended strand (participates in β ladder)trans-72.8111.6177176.560.4000108.7F282 K286 L289 I298 H299 I303 V313 S314 V315F282-L301 HydrophobicContact CD2-CD2 4.09Å; F282-L301 HydrophobicContact CD2-CG 4.31Å; F282-L301 HydrophobicContact CE1-CD2 4.37Å; F282-L301 HydrophobicContact CE2-CB 3.96Å; F282-L301 HydrophobicContact CE2-CD2 3.68Å; F282-L301 HydrophobicContact CE2-CG 3.68Å; F282-L301 WeakPolarHBondContact CE2-O 3.28Å; F282-L301 HydrophobicContact CZ-CB 4.05Å; F282-L301 HydrophobicContact CZ-CD2 3.83Å; F282-L301 HydrophobicContact CZ-CG 4.12Å; K286-L301 HydrophobicContact CB-CD2 3.98Å; K286-L301 HydrophobicContact CG-CD2 4.47Å; L289-L301 HydrophobicContact CD1-CD1 4.49Å; I298-L301 HydrophobicContact CG2-CB 4.41Å; H299-L301 PolarHBondContact O-N 3.47Å; H299-L301 VanDerWaalsContact O-N 3.08Å; L301-I303 HydrophobicContact CD1-CD1 4.07Å; L301-I303 HydrophobicContact CD1-CG1 3.89Å; L301-I303 HydrophobicContact CD2-CD1 4.27Å; L301-I303 HydrophobicContact CG-CD1 4.2Å; L301-I303 HydrophobicContact CG-CG1 4.13Å; L301-V313 HydrophobicContact CD1-CG1 4.1Å; L301-S314 WeakPolarHBondContact CA-O 3.1Å; L301-V315 HydrophobicContact CB-CG2 4.18Å; L301-V315 HydrophobicContact CD1-CB 3.8Å; L301-V315 HydrophobicContact CD1-CG2 3.82Å
302H93.8Very high90.9Very high97 Ų9740.1 Ų40.145%0.44921%0.209SC..EExtended strand (participates in β ladder)trans-116.3126.5174.4-66.5-64.2000109.4N300 W304 V313 S314N300-H302 PolarHBondContact O-CD2 2.84Å; N300-H302 PolarHBondContact O-N 3.27Å; N300-H302 PolarHBondContact OD1-NE2 3.44Å; H302-W304 HydrophobicContact CB-CE3 3.89Å; H302-W304 HydrophobicContact CB-CZ3 3.76Å; H302-V313 CarbonylContact O-C 3Å; H302-V313 WeakPolarHBondContact O-CA 3.42Å; H302-S314 PolarHBondContact N-O 2.85Å; H302-S314 PolarHBondContact O-N 3.34Å
303I94.3Very high90.9Very high9 Ų939.5 Ų39.55%0.04621%0.206CC..EExtended strand (participates in β ladder)trans-129.5116.4177.8-51.2-179.7000106.4T276 L280 F282 V285 L301 T311 V313T276-I303 WeakPolarHBondContact CA-O 3.49Å; T276-I303 HydrophobicContact CG2-CB 4.26Å; T276-I303 HydrophobicContact CG2-CG2 4.07Å; T276-I303 PolarHBondContact OG1-O 3.23Å; L280-I303 HydrophobicContact CD1-CG2 4Å; L280-I303 HydrophobicContact CD2-CD1 3.62Å; L280-I303 HydrophobicContact CD2-CG2 3.9Å; F282-I303 HydrophobicContact CD2-CD1 4.41Å; V285-I303 HydrophobicContact CB-CD1 3.97Å; V285-I303 HydrophobicContact CG1-CD1 3.9Å; V285-I303 HydrophobicContact CG2-CD1 4.11Å; L301-I303 HydrophobicContact CD1-CD1 4.07Å; L301-I303 HydrophobicContact CD1-CG1 3.89Å; L301-I303 HydrophobicContact CD2-CD1 4.27Å; L301-I303 HydrophobicContact CG-CD1 4.2Å; L301-I303 HydrophobicContact CG-CG1 4.13Å; I303-T311 HydrophobicContact CG2-CG2 3.81Å; I303-V313 HydrophobicContact CG1-CG1 4.33Å; I303-V313 HydrophobicContact CG1-CG2 4.36Å; I303-V313 HydrophobicContact CG2-CG2 4.13Å
304W94.6Very high91Very high42 Ų4236.2 Ų36.216%0.15919%0.185CC..EExtended strand (participates in β ladder)trans-137.7156.2-177.568.897.1000111.7E274 H302 A312E274-W304 HydrophobicContact CB-CB 3.94Å; E274-W304 HydrophobicContact CB-CG 4.42Å; E274-W304 WeakPolarHBondContact O-CB 3.25Å; H302-W304 HydrophobicContact CB-CE3 3.89Å; H302-W304 HydrophobicContact CB-CZ3 3.76Å; W304-A312 HydrophobicContact CD2-CB 3.97Å; W304-A312 VanDerWaalsContact CE2-CB 3.4Å; W304-A312 HydrophobicContact CG-CB 4.46Å; W304-A312 HydrophobicContact CH2-CB 4.1Å; W304-A312 HydrophobicContact CZ2-CB 3.49Å; W304-A312 VanDerWaalsContact CZ2-CB 3.49Å; W304-A312 PolarHBondContact N-O 3.5Å; W304-A312 PolarHBondContact O-N 3.17Å
305S91.2Very high91.1Very high8 Ų835.4 Ų35.46%0.05618%0.177CC..EExtended strand (participates in β ladder)trans-88.6127.7177.1-50.40000110A275 P277A275-S305 PolarHBondContact O-N 2.9Å; A275-S305 PolarHBondContact O-OG 3.48Å; A275-S305 VanDerWaalsContact O-OG 3.14Å; P277-S305 VanDerWaalsContact CA-OG 3.31Å; P277-S305 WeakPolarHBondContact CA-OG 3.3Å; P277-S305 VanDerWaalsContact CB-OG 3.32Å; P277-S305 WeakPolarHBondContact CB-OG 3.3Å; P277-S305 WeakPolarHBondContact CD-OG 3.45Å
306L86.5Confident91.2Very high4 Ų435.8 Ų35.82%0.02118%0.178CC..EExtended strand (participates in β ladder)trans-85.8-35.4167.3-69.8174.1000111.3F127 R131 K310 A312 D344F127-L306 HydrophobicContact CB-CD2 4.47Å; F127-L306 HydrophobicContact CD1-CD1 4.22Å; F127-L306 HydrophobicContact CD1-CD2 4.4Å; F127-L306 HydrophobicContact CG-CD2 4.3Å; R131-L306 WeakPolarHBondContact CG-O 3.28Å; L306-K310 HydrophobicContact CB-CB 4.12Å; L306-K310 PolarHBondContact N-O 3.49Å; L306-A312 HydrophobicContact CD1-CB 3.99Å; L306-A312 HydrophobicContact CG-CB 4.02Å; L306-D344 VanDerWaalsContact CD1-OD2 3.29Å; L306-D344 WeakPolarHBondContact CD1-OD2 3.49Å
307T85.5Confident91.3Very high6 Ų629.2 Ų29.24%0.03715%0.153CC..EExtended strand (participates in β ladder)trans-146.8-177.6171.761.10000108.2H130 N309 K310H130-T307 HydrophobicContact CB-CG2 3.59Å; H130-T307 VanDerWaalsContact O-CG2 3.31Å; H130-T307 WeakPolarHBondContact O-CG2 3.5Å; T307-N309 PolarHBondContact O-N 3Å; T307-N309 PolarHBondContact OG1-N 3.49Å; T307-K310 PolarHBondContact N-O 3Å; T307-K310 WeakPolarHBondContact OG1-CB 3.49Å; T307-K310 WeakPolarHBondContact OG1-CG 3.19Å; T307-K310 PolarHBondContact OG1-N 3.22Å; T307-K310 VanDerWaalsContact OG1-N 3.08Å
308T80.7Confident91.4Very high88 Ų8827 Ų2754%0.5414%0.142SC..THydrogen-bonded Turntrans-58.3-25.9172.347.70000113.5
309N81.4Confident91.5Very high111 Ų11126.8 Ų26.859%0.59414%0.141SC*.THydrogen-bonded Turntrans-121.25.2-174.3-63.3-29.9000114.1T307T307-N309 PolarHBondContact O-N 3Å; T307-N309 PolarHBondContact OG1-N 3.49Å
310K85.9Confident91.5Very high29 Ų2931.1 Ų31.113%0.12616%0.162CC..EExtended strand (participates in β ladder)trans-127.5116.3179.4-65-172.5176.7-1520110H130 L306 T307 H343H130-K310 PolarHBondContact CE1-NZ 3.05Å; H130-K310 PolarHBondContact NE2-NZ 2.98Å; L306-K310 HydrophobicContact CB-CB 4.12Å; L306-K310 PolarHBondContact N-O 3.49Å; T307-K310 PolarHBondContact N-O 3Å; T307-K310 WeakPolarHBondContact OG1-CB 3.49Å; T307-K310 WeakPolarHBondContact OG1-CG 3.19Å; T307-K310 PolarHBondContact OG1-N 3.22Å; T307-K310 VanDerWaalsContact OG1-N 3.08Å; K310-H343 HydrophobicContact CB-CB 4.22Å; K310-H343 HydrophobicContact CG-CB 4.47Å; K310-H343 PolarHBondContact NZ-NE2 2.66Å
311T90.5Very high91.4Very high19 Ų1933.8 Ų33.812%0.11718%0.176CC..EExtended strand (participates in β ladder)trans-105.3138177.1-53.80000109.7P277 L280 I303 V313 H343 D344P277-T311 HydrophobicContact CG-CG2 3.82Å; L280-T311 HydrophobicContact CD1-CG2 4.24Å; I303-T311 HydrophobicContact CG2-CG2 3.81Å; T311-V313 HydrophobicContact CG2-CG2 4.39Å; T311-H343 WeakPolarHBondContact O-CB 3.01Å; T311-H343 PolarHBondContact O-N 3.47Å; T311-D344 PolarHBondContact O-N 2.97Å
312A93Very high91.1Very high1 Ų141 Ų411%0.00822%0.215CC..EExtended strand (participates in β ladder)trans-113.7141.1170.800000109.7W304 L306 D344W304-A312 HydrophobicContact CD2-CB 3.97Å; W304-A312 VanDerWaalsContact CE2-CB 3.4Å; W304-A312 HydrophobicContact CG-CB 4.46Å; W304-A312 HydrophobicContact CH2-CB 4.1Å; W304-A312 HydrophobicContact CZ2-CB 3.49Å; W304-A312 VanDerWaalsContact CZ2-CB 3.49Å; W304-A312 PolarHBondContact N-O 3.5Å; W304-A312 PolarHBondContact O-N 3.17Å; L306-A312 HydrophobicContact CD1-CB 3.99Å; L306-A312 HydrophobicContact CG-CB 4.02Å; A312-D344 CarbonylContact C-O 3.42Å; A312-D344 VanDerWaalsContact CA-O 3.27Å; A312-D344 WeakPolarHBondContact CA-O 3.42Å; A312-D344 HydrophobicContact CB-CB 4.12Å
313V95Very high90.8Very high2 Ų237.8 Ų37.81%0.01220%0.203CC..EExtended strand (participates in β ladder)trans-128.7129.7-179.6-179.50000109L301 H302 I303 T311 L336 A342 D344 V345 T346L301-V313 HydrophobicContact CD1-CG1 4.1Å; H302-V313 CarbonylContact O-C 3Å; H302-V313 WeakPolarHBondContact O-CA 3.42Å; I303-V313 HydrophobicContact CG1-CG1 4.33Å; I303-V313 HydrophobicContact CG1-CG2 4.36Å; I303-V313 HydrophobicContact CG2-CG2 4.13Å; T311-V313 HydrophobicContact CG2-CG2 4.39Å; V313-L336 HydrophobicContact CB-CD1 4.48Å; V313-L336 HydrophobicContact CG1-CD1 3.93Å; V313-L336 HydrophobicContact CG1-CD2 4.17Å; V313-A342 HydrophobicContact CG2-CB 3.83Å; V313-D344 PolarHBondContact N-O 3.48Å; V313-V345 WeakPolarHBondContact O-CA 3.36Å; V313-T346 PolarHBondContact O-N 3.22Å
314S95.6Very high90.7Very high27 Ų2742.2 Ų42.219%0.18923%0.227CC..EExtended strand (participates in β ladder)trans-122.9134.7167.2-173.20000109.3L301 H302 T346L301-S314 WeakPolarHBondContact CA-O 3.1Å; H302-S314 PolarHBondContact N-O 2.85Å; H302-S314 PolarHBondContact O-N 3.34Å; S314-T346 VanDerWaalsContact CA-O 3.29Å; S314-T346 WeakPolarHBondContact CA-O 3.41Å; S314-T346 WeakPolarHBondContact CA-OG1 3.41Å; S314-T346 VanDerWaalsContact CB-OG1 3.25Å; S314-T346 WeakPolarHBondContact CB-OG1 3.31Å; S314-T346 PolarHBondContact OG-OG1 2.9Å; S314-T346 VanDerWaalsContact OG-OG1 3.1Å
315V95.8Very high90.6Very high0 Ų043.2 Ų43.20%024%0.237CC..EExtended strand (participates in β ladder)trans-151.4146.9-177.763.90000111.7L289 I298 L301 L317 T346 I347 Q348L289-V315 HydrophobicContact CD1-CG1 4.41Å; L289-V315 HydrophobicContact CD1-CG2 4.25Å; I298-V315 HydrophobicContact CG2-CG2 3.4Å; I298-V315 VanDerWaalsContact CG2-CG2 3.4Å; L301-V315 HydrophobicContact CB-CG2 4.18Å; L301-V315 HydrophobicContact CD1-CB 3.8Å; L301-V315 HydrophobicContact CD1-CG2 3.82Å; V315-L317 HydrophobicContact CG1-CD2 4.38Å; V315-L317 HydrophobicContact CG1-CG 4.46Å; V315-L317 HydrophobicContact CG2-CD2 3.88Å; V315-T346 PolarHBondContact N-O 3.05Å; V315-I347 HydrophobicContact CG1-CB 4.36Å; V315-I347 HydrophobicContact CG1-CG1 3.79Å; V315-I347 HydrophobicContact CG1-CG2 4.33Å; V315-I347 WeakPolarHBondContact O-CA 3.2Å; V315-Q348 PolarHBondContact O-N 3.36Å
316H95.2Very high90.6Very high25 Ų2548.2 Ų48.212%0.11626%0.26CS..EExtended strand (participates in β ladder)trans-106.5126.4169.5-64.9-142.7000108.7H299 N300 Q348 E350H299-H316 WeakPolarHBondContact CE1-CB 3.29Å; H299-H316 AromaticContact CE1-CG 3.96Å; H299-H316 AromaticContact CE1-ND1 3.88Å; H299-H316 PolarHBondContact N-O 3.29Å; H299-H316 VanDerWaalsContact N-O 3.11Å; H299-H316 WeakPolarHBondContact ND1-CB 3.02Å; H299-H316 WeakPolarHBondContact O-CB 3.35Å; H299-H316 PolarHBondContact O-N 3.49Å; N300-H316 HydrophobicContact CB-CB 4.39Å; N300-H316 PolarHBondContact ND2-NE2 2.92Å; N300-H316 VanDerWaalsContact ND2-NE2 3.13Å; H316-Q348 CarbonylContact C-O 3.55Å; H316-Q348 VanDerWaalsContact CA-O 3.31Å; H316-Q348 WeakPolarHBondContact CA-O 3.46Å; H316-Q348 VanDerWaalsContact CE1-CD 3.41Å; H316-Q348 PolarHBondContact CE1-NE2 3.41Å; H316-Q348 PolarHBondContact CE1-OE1 3.31Å; H316-E350 IonicContact CE1-OE1 3.42Å; H316-E350 IonicContact CG-OE1 2.76Å; H316-E350 IonicContact ND1-OE1 3.11Å; H316-E350 PolarHBondContact ND1-OE1 3.42Å
317L95.6Very high90.8Very high0 Ų051.8 Ų51.80%028%0.276CS..EExtended strand (participates in β ladder)trans-111.1115.4178.3-57.1-179.4000108.3L289 V295 I298 V315 I328 A332 I347 Q348 L349 E350L289-L317 HydrophobicContact CB-CD2 4.48Å; V295-L317 HydrophobicContact CG1-CB 4.48Å; V295-L317 HydrophobicContact CG1-CD2 4.34Å; V295-L317 HydrophobicContact CG2-CD1 4.4Å; I298-L317 HydrophobicContact CB-CD2 4.44Å; I298-L317 HydrophobicContact CD1-CD2 3.76Å; I298-L317 HydrophobicContact CG1-CD2 3.67Å; I298-L317 HydrophobicContact CG2-CD2 4.2Å; V315-L317 HydrophobicContact CG1-CD2 4.38Å; V315-L317 HydrophobicContact CG1-CG 4.46Å; V315-L317 HydrophobicContact CG2-CD2 3.88Å; L317-I328 HydrophobicContact CD1-CG2 4.41Å; L317-A332 HydrophobicContact CD1-CB 3.85Å; L317-I347 HydrophobicContact CD1-CG2 3.6Å; L317-I347 HydrophobicContact CG-CG2 3.92Å; L317-Q348 PolarHBondContact N-O 3.35Å; L317-L349 HydrophobicContact CB-CD2 3.92Å; L317-L349 HydrophobicContact CD1-CD2 4.31Å; L317-E350 PolarHBondContact O-N 3.47Å
318A94.3Very high91.2Very high0 Ų051.8 Ų51.80%028%0.276CS..EExtended strand (participates in β ladder)trans-85.411717300000109.1R296 E297 E350 Y352 M356R296-A318 PolarHBondContact N-O 3.26Å; E297-A318 HydrophobicContact CB-CB 4.14Å; E297-A318 PolarHBondContact N-O 3.02Å; E297-A318 PolarHBondContact O-N 2.91Å; A318-E350 CarbonylContact C-O 3.53Å; A318-E350 WeakPolarHBondContact CA-O 3.43Å; A318-Y352 HydrophobicContact CB-CD2 4.02Å; A318-M356 HydrophobicContact CB-SD 3.88Å
319I95.2Very high91.8Very high3 Ų350 Ų502%0.01526%0.263CS..EExtended strand (participates in β ladder)trans-109.2160.4-174.663164.3000112.3G294 V295 T325 I328 L349 E350 L351 Y352G294-I319 WeakPolarHBondContact O-CA 3.47Å; G294-I319 WeakPolarHBondContact O-CB 3.3Å; V295-I319 HydrophobicContact CG2-CG2 4.42Å; I319-T325 HydrophobicContact CD1-CG2 3.44Å; I319-T325 VanDerWaalsContact CD1-CG2 3.44Å; I319-I328 HydrophobicContact CB-CD1 4.22Å; I319-I328 HydrophobicContact CG2-CD1 3.74Å; I319-I328 HydrophobicContact CG2-CG2 4.21Å; I319-L349 HydrophobicContact CG2-CD2 3.71Å; I319-E350 VanDerWaalsContact CG1-O 3.3Å; I319-E350 WeakPolarHBondContact CG1-O 3.18Å; I319-E350 PolarHBondContact N-O 3.45Å; I319-L351 HydrophobicContact CG1-CD2 4.27Å; I319-Y352 PolarHBondContact O-N 3.02Å
320E92.9Very high92.3Very high103 Ų10349.6 Ų49.648%0.48126%0.256SS..  trans-72.1149.5172.2-59.6-179.9166.800111.7G294 R296 D322 S323G294-E320 PolarHBondContact O-N 3.24Å; R296-E320 HydrophobicContact CB-CG 4.46Å; E320-D322 PolarHBondContact O-N 3.44Å; E320-D322 VanDerWaalsContact O-N 3.14Å; E320-S323 WeakPolarHBondContact O-CB 3.46Å; E320-S323 PolarHBondContact O-N 2.99Å; E320-S323 VanDerWaalsContact O-N 3.13Å
321N88.8Confident92.6Very high119 Ų11951.7 Ų51.764%0.63627%0.266SS*.THydrogen-bonded Turntrans-57.5-31.1-175.3-75-19.3000114.5
322D87.7Confident92.8Very high169 Ų16950.8 Ų50.890%0.90426%0.26SS*.THydrogen-bonded Turntrans-96.37-175.3-61.4-33.3000113.2E320E320-D322 PolarHBondContact O-N 3.44Å; E320-D322 VanDerWaalsContact O-N 3.14Å
323S88Confident92.8Very high29 Ų2952 Ų5220%0.20327%0.267CS..SBendtrans-81.6146.5-175.8-73.40000113.7G294 E320 T325G294-S323 VanDerWaalsContact CA-OG 3.3Å; G294-S323 WeakPolarHBondContact CA-OG 3.32Å; E320-S323 WeakPolarHBondContact O-CB 3.46Å; E320-S323 PolarHBondContact O-N 2.99Å; E320-S323 VanDerWaalsContact O-N 3.13Å; S323-T325 PolarHBondContact O-N 2.79Å; S323-T325 VanDerWaalsContact O-N 3.1Å
324N91.7Very high92.6Very high102 Ų10258.9 Ų58.955%0.54529%0.294SS..  trans-77.197.7173.7-174.8-20.1000110.9Q326 E327 I328N324-Q326 VanDerWaalsContact C-N 3.29Å; N324-Q326 PolarHBondContact O-N 3.37Å; N324-Q326 PolarHBondContact OD1-N 3.36Å; N324-E327 HydrophobicContact CB-CB 3.99Å; N324-E327 PolarHBondContact O-N 3.3Å; N324-E327 VanDerWaalsContact O-N 3.15Å; N324-E327 PolarHBondContact OD1-N 3.49Å; N324-I328 PolarHBondContact O-N 3.38Å; N324-I328 VanDerWaalsContact O-N 3.08Å
325T92.7Very high92.5Very high62 Ų6259 Ų5938%0.3829%0.292SS..Hα-helixtrans-50.2-43.4179.450.70000113.9I319 S323 L329 L349I319-T325 HydrophobicContact CD1-CG2 3.44Å; I319-T325 VanDerWaalsContact CD1-CG2 3.44Å; S323-T325 PolarHBondContact O-N 2.79Å; S323-T325 VanDerWaalsContact O-N 3.1Å; T325-L329 WeakPolarHBondContact O-CB 3.36Å; T325-L329 PolarHBondContact O-N 3.43Å; T325-L349 VanDerWaalsContact O-CD1 3.28Å; T325-L349 WeakPolarHBondContact O-CD1 3.34Å
326Q90.9Very high92.3Very high113 Ų11359 Ų5953%0.52829%0.292SS..Hα-helixtrans-69.7-37.2-177.1-69.1-64.5-37.500112N324 K330N324-Q326 VanDerWaalsContact C-N 3.29Å; N324-Q326 PolarHBondContact O-N 3.37Å; N324-Q326 PolarHBondContact OD1-N 3.36Å; Q326-K330 WeakPolarHBondContact O-CB 3.31Å; Q326-K330 VanDerWaalsContact O-CG 3.26Å; Q326-K330 WeakPolarHBondContact O-CG 3.27Å; Q326-K330 PolarHBondContact O-N 3.16Å
327E91.2Very high92.1Very high79 Ų7959.9 Ų59.937%0.36930%0.296SS..Hα-helixtrans-69.3-45.4178.4-172.257.2-152.300111N324 L329 K330 Q331N324-E327 HydrophobicContact CB-CB 3.99Å; N324-E327 PolarHBondContact O-N 3.3Å; N324-E327 VanDerWaalsContact O-N 3.15Å; N324-E327 PolarHBondContact OD1-N 3.49Å; E327-L329 VanDerWaalsContact C-N 3.34Å; E327-L329 PolarHBondContact O-N 3.29Å; E327-K330 PolarHBondContact O-N 3.26Å; E327-Q331 WeakPolarHBondContact O-CG 3.37Å; E327-Q331 PolarHBondContact O-N 3.49Å; E327-Q331 PolarHBondContact OE1-NE2 3.06Å
328I93.6Very high91.7Very high6 Ų664.1 Ų64.13%0.03132%0.315CS..Hα-helixtrans-59.2-46175-65.8176.3000110.6I292 P293 V295 L317 I319 N324 K330 Q331 A332 L349I292-I328 HydrophobicContact CG2-CG2 4.17Å; P293-I328 WeakPolarHBondContact O-CG1 3.35Å; V295-I328 HydrophobicContact CG2-CG2 3.74Å; L317-I328 HydrophobicContact CD1-CG2 4.41Å; I319-I328 HydrophobicContact CB-CD1 4.22Å; I319-I328 HydrophobicContact CG2-CD1 3.74Å; I319-I328 HydrophobicContact CG2-CG2 4.21Å; N324-I328 PolarHBondContact O-N 3.38Å; N324-I328 VanDerWaalsContact O-N 3.08Å; I328-K330 VanDerWaalsContact C-N 3.33Å; I328-K330 PolarHBondContact O-N 2.98Å; I328-Q331 PolarHBondContact O-N 2.95Å; I328-A332 VanDerWaalsContact O-CB 3.3Å; I328-A332 WeakPolarHBondContact O-CB 3.12Å; I328-A332 PolarHBondContact O-N 3.49Å; I328-L349 HydrophobicContact CG2-CD2 3.92Å
329L93.7Very high91.4Very high50 Ų5070.8 Ų70.826%0.26234%0.34SS..Hα-helixtrans-59.1-44.5178.3-173.361.4000111.8T325 E327 N333 I347 L349T325-L329 WeakPolarHBondContact O-CB 3.36Å; T325-L329 PolarHBondContact O-N 3.43Å; E327-L329 VanDerWaalsContact C-N 3.34Å; E327-L329 PolarHBondContact O-N 3.29Å; L329-N333 WeakPolarHBondContact O-CB 3.45Å; L329-N333 PolarHBondContact O-N 3.48Å; L329-I347 HydrophobicContact CD1-CB 3.69Å; L329-I347 HydrophobicContact CD1-CD1 4.07Å; L329-I347 HydrophobicContact CD1-CG2 3.82Å; L329-L349 HydrophobicContact CB-CD1 3.88Å; L329-L349 HydrophobicContact CD1-CD1 4.32Å
330K91.5Very high91.1Very high104 Ų10471.9 Ų71.945%0.45235%0.345SS..Hα-helixtrans-63.6-46.1178.6-76.6175.8-177.6-177.10111.6P43 Q326 E327 I328 N333 Y334P43-K330 HydrophobicContact CG-CD 4.3Å; Q326-K330 WeakPolarHBondContact O-CB 3.31Å; Q326-K330 VanDerWaalsContact O-CG 3.26Å; Q326-K330 WeakPolarHBondContact O-CG 3.27Å; Q326-K330 PolarHBondContact O-N 3.16Å; E327-K330 PolarHBondContact O-N 3.26Å; I328-K330 VanDerWaalsContact C-N 3.33Å; I328-K330 PolarHBondContact O-N 2.98Å; K330-N333 PolarHBondContact O-N 2.91Å; K330-Y334 VanDerWaalsContact O-CB 3.28Å; K330-Y334 WeakPolarHBondContact O-CB 3.23Å; K330-Y334 PolarHBondContact O-N 3.28Å
331Q92.6Very high90.9Very high72 Ų7273.3 Ų73.334%0.33636%0.355SS..Hα-helixtrans-64.4-45.2179-70.1-179.810.800111.7I292 E327 I328 Y334 L335I292-Q331 HydrophobicContact CG2-CB 4.23Å; E327-Q331 WeakPolarHBondContact O-CG 3.37Å; E327-Q331 PolarHBondContact O-N 3.49Å; E327-Q331 PolarHBondContact OE1-NE2 3.06Å; I328-Q331 PolarHBondContact O-N 2.95Å; Q331-Y334 PolarHBondContact O-N 2.97Å; Q331-L335 WeakPolarHBondContact O-CB 3.45Å; Q331-L335 PolarHBondContact O-N 2.94Å
332A94.3Very high90.8Very high0 Ų068 Ų680%033%0.327CS..Hα-helixtrans-63.6-43.2177.400000112.2L289 I292 L317 I328 L335 L336 I347L289-A332 HydrophobicContact CD2-CB 4.01Å; I292-A332 VanDerWaalsContact CD1-CA 3.49Å; I292-A332 HydrophobicContact CD1-CB 3.66Å; L317-A332 HydrophobicContact CD1-CB 3.85Å; I328-A332 VanDerWaalsContact O-CB 3.3Å; I328-A332 WeakPolarHBondContact O-CB 3.12Å; I328-A332 PolarHBondContact O-N 3.49Å; A332-L335 PolarHBondContact O-N 3.2Å; A332-L336 WeakPolarHBondContact O-CG 2.74Å; A332-L336 PolarHBondContact O-N 3.06Å; A332-I347 HydrophobicContact CB-CD1 3.75Å
333N92.9Very high90.8Very high27 Ų2763 Ų6314%0.14430%0.299CS..Hα-helixtrans-64.8-44.6177-166.6-5.2000111.2L329 K330 L335 L336 K337 I347L329-N333 WeakPolarHBondContact O-CB 3.45Å; L329-N333 PolarHBondContact O-N 3.48Å; K330-N333 PolarHBondContact O-N 2.91Å; N333-L335 PolarHBondContact O-N 2.88Å; N333-L336 PolarHBondContact O-N 3.3Å; N333-K337 WeakPolarHBondContact O-CB 3.35Å; N333-K337 WeakPolarHBondContact O-CG 3.45Å; N333-K337 PolarHBondContact O-N 3.09Å; N333-K337 VanDerWaalsContact OD1-CD 3.32Å; N333-K337 WeakPolarHBondContact OD1-CD 3.43Å; N333-K337 WeakPolarHBondContact OD1-CE 3.5Å; N333-I347 HydrophobicContact CB-CD1 4.14Å
334Y91.1Very high90.8Very high147 Ų14764 Ų6458%0.57630%0.301SS*.Hα-helixtrans-59.4-46.8175.4-179.5-92.3000111.8K330 Q331 L336 K337 Q338K330-Y334 VanDerWaalsContact O-CB 3.28Å; K330-Y334 WeakPolarHBondContact O-CB 3.23Å; K330-Y334 PolarHBondContact O-N 3.28Å; Q331-Y334 PolarHBondContact O-N 2.97Å; Y334-L336 PolarHBondContact O-N 2.64Å; Y334-K337 PolarHBondContact O-N 2.97Å; Y334-Q338 HydrophobicContact CD1-CG 4.41Å; Y334-Q338 HydrophobicContact CD2-CG 3.74Å; Y334-Q338 HydrophobicContact CE1-CB 4.33Å; Y334-Q338 HydrophobicContact CE1-CG 4.23Å; Y334-Q338 HydrophobicContact CE2-CB 4.47Å; Y334-Q338 HydrophobicContact CE2-CG 3.55Å; Y334-Q338 HydrophobicContact CG-CG 4.17Å; Y334-Q338 VanDerWaalsContact O-CB 3.29Å; Y334-Q338 WeakPolarHBondContact O-CB 3.49Å; Y334-Q338 WeakPolarHBondContact O-CG 3.42Å; Y334-Q338 PolarHBondContact O-N 3.24Å
335L92.4Very high90.9Very high29 Ų2960.6 Ų60.615%0.15228%0.284CS..Iπ-helixtrans-57.7-51.3177.7179.771.5000111.5S288 L289 I292 Q331 A332 N333 K337 R339 Y340S288-L335 VanDerWaalsContact O-CD2 3.29Å; S288-L335 WeakPolarHBondContact O-CD2 3.33Å; L289-L335 HydrophobicContact CD2-CD2 4.01Å; L289-L335 HydrophobicContact CG-CD2 4.25Å; I292-L335 HydrophobicContact CD1-CD2 4.17Å; Q331-L335 WeakPolarHBondContact O-CB 3.45Å; Q331-L335 PolarHBondContact O-N 2.94Å; A332-L335 PolarHBondContact O-N 3.2Å; N333-L335 PolarHBondContact O-N 2.88Å; L335-K337 PolarHBondContact O-N 3.43Å; L335-R339 HydrophobicContact CD1-CB 4.19Å; L335-R339 VanDerWaalsContact O-CB 3.24Å; L335-R339 WeakPolarHBondContact O-CB 3.48Å; L335-R339 PolarHBondContact O-N 3.42Å; L335-Y340 HydrophobicContact CD1-CE2 4.49Å; L335-Y340 HydrophobicContact CG-CE2 4.29Å
336L92.5Very high91Very high0 Ų061.4 Ų61.40%029%0.289CS..Iπ-helixtrans-65.3-38.2-177.9-71.4174.2000112.6V285 L289 V313 A332 N333 Y334 Y340 L341 A342 V345 I347V285-L336 HydrophobicContact CG1-CD2 3.74Å; L289-L336 HydrophobicContact CD1-CD2 4.28Å; L289-L336 HydrophobicContact CD2-CD1 4.25Å; L289-L336 HydrophobicContact CD2-CD2 4.41Å; L289-L336 HydrophobicContact CD2-CG 4.16Å; V313-L336 HydrophobicContact CB-CD1 4.48Å; V313-L336 HydrophobicContact CG1-CD1 3.93Å; V313-L336 HydrophobicContact CG1-CD2 4.17Å; A332-L336 WeakPolarHBondContact O-CG 2.74Å; A332-L336 PolarHBondContact O-N 3.06Å; N333-L336 PolarHBondContact O-N 3.3Å; Y334-L336 PolarHBondContact O-N 2.64Å; L336-Y340 HydrophobicContact CD2-CD2 4.21Å; L336-Y340 CarbonylContact O-C 3.58Å; L336-Y340 WeakPolarHBondContact O-CB 3.43Å; L336-Y340 PolarHBondContact O-N 3.28Å; L336-L341 PolarHBondContact O-N 3.37Å; L336-A342 HydrophobicContact CB-CB 4.35Å; L336-A342 WeakPolarHBondContact O-CB 3.33Å; L336-A342 PolarHBondContact O-N 3.09Å; L336-V345 HydrophobicContact CB-CG1 4.3Å; L336-V345 HydrophobicContact CB-CG2 3.93Å; L336-V345 HydrophobicContact CD1-CG1 3.55Å; L336-V345 HydrophobicContact CD1-CG2 4.44Å; L336-I347 HydrophobicContact CD1-CD1 4.22Å; L336-I347 HydrophobicContact CD1-CG1 4.33Å
337K89.8Confident91.2Very high44 Ų4457.5 Ų57.519%0.19127%0.272CS..Iπ-helixtrans-77.4-44.1-179.7-71.8-169.1171.8-161.10113.7C49 N333 Y334 L335 L341 V345C49-K337 PolarHBondContact O-NZ 3.3Å; N333-K337 WeakPolarHBondContact O-CB 3.35Å; N333-K337 WeakPolarHBondContact O-CG 3.45Å; N333-K337 PolarHBondContact O-N 3.09Å; N333-K337 VanDerWaalsContact OD1-CD 3.32Å; N333-K337 WeakPolarHBondContact OD1-CD 3.43Å; N333-K337 WeakPolarHBondContact OD1-CE 3.5Å; Y334-K337 PolarHBondContact O-N 2.97Å; L335-K337 PolarHBondContact O-N 3.43Å; K337-L341 VanDerWaalsContact O-CA 3.23Å; K337-L341 WeakPolarHBondContact O-CA 3.45Å; K337-L341 PolarHBondContact O-N 3.46Å; K337-V345 HydrophobicContact CG-CG2 4.19Å
338Q87.4Confident91.4Very high89 Ų8958.4 Ų58.442%0.41628%0.276SS..Iπ-helixtrans-86.6-42.4-172.3-61.5-61.6-2500112.2E51 Y334E51-Q338 PolarHBondContact OE2-NE2 3.46Å; Y334-Q338 HydrophobicContact CD1-CG 4.41Å; Y334-Q338 HydrophobicContact CD2-CG 3.74Å; Y334-Q338 HydrophobicContact CE1-CB 4.33Å; Y334-Q338 HydrophobicContact CE1-CG 4.23Å; Y334-Q338 HydrophobicContact CE2-CB 4.47Å; Y334-Q338 HydrophobicContact CE2-CG 3.55Å; Y334-Q338 HydrophobicContact CG-CG 4.17Å; Y334-Q338 VanDerWaalsContact O-CB 3.29Å; Y334-Q338 WeakPolarHBondContact O-CB 3.49Å; Y334-Q338 WeakPolarHBondContact O-CG 3.42Å; Y334-Q338 PolarHBondContact O-N 3.24Å
339R89Confident91.5Very high139 Ų13960.5 Ų60.553%0.52529%0.287SS..Iπ-helixtrans-84-42.1-178.2-174175.3173.9176.9-8.8112.3E284 S288 L335E284-R339 IonicContact OE1-CZ 3.9Å; E284-R339 IonicContact OE1-NE 3.77Å; E284-R339 IonicContact OE1-NH2 3.85Å; E284-R339 PolarHBondContact OE1-NH2 3.19Å; S288-R339 PolarHBondContact OG-NH1 3.05Å; L335-R339 HydrophobicContact CD1-CB 4.19Å; L335-R339 VanDerWaalsContact O-CB 3.24Å; L335-R339 WeakPolarHBondContact O-CB 3.48Å; L335-R339 PolarHBondContact O-N 3.42Å
340Y89Confident91.4Very high26 Ų2660.5 Ų60.510%0.10229%0.286CS..SBendtrans-104.71.7-174.4-62.1-67.7000114.2E284 V285 S288 L335 L336 A342E284-Y340 PolarHBondContact O-OH 3.17Å; E284-Y340 PolarHBondContact OE1-OH 3.41Å; V285-Y340 HydrophobicContact CB-CE2 4.44Å; V285-Y340 HydrophobicContact CG2-CD1 3.68Å; V285-Y340 HydrophobicContact CG2-CD2 4.01Å; V285-Y340 HydrophobicContact CG2-CE1 3.64Å; V285-Y340 HydrophobicContact CG2-CE2 3.95Å; V285-Y340 HydrophobicContact CG2-CG 3.87Å; S288-Y340 WeakPolarHBondContact CB-OH 3.37Å; S288-Y340 PolarHBondContact OG-OH 3.32Å; L335-Y340 HydrophobicContact CD1-CE2 4.49Å; L335-Y340 HydrophobicContact CG-CE2 4.29Å; L336-Y340 HydrophobicContact CD2-CD2 4.21Å; L336-Y340 CarbonylContact O-C 3.58Å; L336-Y340 WeakPolarHBondContact O-CB 3.43Å; L336-Y340 PolarHBondContact O-N 3.28Å; Y340-A342 PolarHBondContact O-N 2.96Å; Y340-A342 VanDerWaalsContact O-N 3.12Å
341L87.2Confident91.5Very high134 Ų13460.1 Ų60.170%0.70229%0.288SS*.  trans53.132.5177-56.9176.2000113.5L336 K337 H343L336-L341 PolarHBondContact O-N 3.37Å; K337-L341 VanDerWaalsContact O-CA 3.23Å; K337-L341 WeakPolarHBondContact O-CA 3.45Å; K337-L341 PolarHBondContact O-N 3.46Å; L341-H343 PolarHBondContact O-N 3.35Å
342A88.3Confident91.5Very high6 Ų658.8 Ų58.85%0.0528%0.28CS..EExtended strand (participates in β ladder)trans-66.3124.8176.600000110.2V313 L336 Y340 V345V313-A342 HydrophobicContact CG2-CB 3.83Å; L336-A342 HydrophobicContact CB-CB 4.35Å; L336-A342 WeakPolarHBondContact O-CB 3.33Å; L336-A342 PolarHBondContact O-N 3.09Å; Y340-A342 PolarHBondContact O-N 2.96Å; Y340-A342 VanDerWaalsContact O-N 3.12Å; A342-V345 HydrophobicContact CB-CG2 3.51Å
343H86.1Confident91.2Very high66 Ų6662.2 Ų62.231%0.30630%0.301SS..EExtended strand (participates in β ladder)trans-75.2-49.9-179.6178.3-82.4000110.8K310 T311 L341K310-H343 HydrophobicContact CB-CB 4.22Å; K310-H343 HydrophobicContact CG-CB 4.47Å; K310-H343 PolarHBondContact NZ-NE2 2.66Å; T311-H343 WeakPolarHBondContact O-CB 3.01Å; T311-H343 PolarHBondContact O-N 3.47Å; L341-H343 PolarHBondContact O-N 3.35Å
344D89.5Confident90.9Very high48 Ų4868.1 Ų68.126%0.25733%0.328SS..EExtended strand (participates in β ladder)trans-117.2126.9178.2-65.7-56.5000109.7L306 T311 A312 V313L306-D344 VanDerWaalsContact CD1-OD2 3.29Å; L306-D344 WeakPolarHBondContact CD1-OD2 3.49Å; T311-D344 PolarHBondContact O-N 2.97Å; A312-D344 CarbonylContact C-O 3.42Å; A312-D344 VanDerWaalsContact CA-O 3.27Å; A312-D344 WeakPolarHBondContact CA-O 3.42Å; A312-D344 HydrophobicContact CB-CB 4.12Å; V313-D344 PolarHBondContact N-O 3.48Å
345V93Very high90.6Very high31 Ų3168.6 Ų68.619%0.18834%0.335CS..EExtended strand (participates in β ladder)trans-130.3124.3-177176.80000109.1V313 L336 K337 A342 I347V313-V345 WeakPolarHBondContact O-CA 3.36Å; L336-V345 HydrophobicContact CB-CG1 4.3Å; L336-V345 HydrophobicContact CB-CG2 3.93Å; L336-V345 HydrophobicContact CD1-CG1 3.55Å; L336-V345 HydrophobicContact CD1-CG2 4.44Å; K337-V345 HydrophobicContact CG-CG2 4.19Å; A342-V345 HydrophobicContact CB-CG2 3.51Å; V345-I347 HydrophobicContact CG1-CD1 3.68Å; V345-I347 HydrophobicContact CG1-CG1 3.75Å
346T94.7Very high90.2Very high80 Ų8068.5 Ų68.549%0.49133%0.334SS..EExtended strand (participates in β ladder)trans-121120.6170.652.20000109.4V313 S314 V315V313-T346 PolarHBondContact O-N 3.22Å; S314-T346 VanDerWaalsContact CA-O 3.29Å; S314-T346 WeakPolarHBondContact CA-O 3.41Å; S314-T346 WeakPolarHBondContact CA-OG1 3.41Å; S314-T346 VanDerWaalsContact CB-OG1 3.25Å; S314-T346 WeakPolarHBondContact CB-OG1 3.31Å; S314-T346 PolarHBondContact OG-OG1 2.9Å; S314-T346 VanDerWaalsContact OG-OG1 3.1Å; V315-T346 PolarHBondContact N-O 3.05Å
347I95.9Very high89.6Confident30 Ų3071.2 Ų71.215%0.15436%0.357CS..EExtended strand (participates in β ladder)trans-120.7120.2-179.4-62.2156.4000107.4V315 L317 L329 A332 N333 L336 V345 L349V315-I347 HydrophobicContact CG1-CB 4.36Å; V315-I347 HydrophobicContact CG1-CG1 3.79Å; V315-I347 HydrophobicContact CG1-CG2 4.33Å; V315-I347 WeakPolarHBondContact O-CA 3.2Å; L317-I347 HydrophobicContact CD1-CG2 3.6Å; L317-I347 HydrophobicContact CG-CG2 3.92Å; L329-I347 HydrophobicContact CD1-CB 3.69Å; L329-I347 HydrophobicContact CD1-CD1 4.07Å; L329-I347 HydrophobicContact CD1-CG2 3.82Å; A332-I347 HydrophobicContact CB-CD1 3.75Å; N333-I347 HydrophobicContact CB-CD1 4.14Å; L336-I347 HydrophobicContact CD1-CD1 4.22Å; L336-I347 HydrophobicContact CD1-CG1 4.33Å; V345-I347 HydrophobicContact CG1-CD1 3.68Å; V345-I347 HydrophobicContact CG1-CG1 3.75Å; I347-L349 HydrophobicContact CG2-CG 4.5Å
348Q95.8Very high89.2Confident99 Ų9976 Ų7646%0.46338%0.384SS..EExtended strand (participates in β ladder)trans-97.5123.9171.5-179.5160.5-34.700108.5V315 H316 L317 E350V315-Q348 PolarHBondContact O-N 3.36Å; H316-Q348 CarbonylContact C-O 3.55Å; H316-Q348 VanDerWaalsContact CA-O 3.31Å; H316-Q348 WeakPolarHBondContact CA-O 3.46Å; H316-Q348 VanDerWaalsContact CE1-CD 3.41Å; H316-Q348 PolarHBondContact CE1-NE2 3.41Å; H316-Q348 PolarHBondContact CE1-OE1 3.31Å; L317-Q348 PolarHBondContact N-O 3.35Å; Q348-E350 HydrophobicContact CG-CG 4.11Å; Q348-E350 PolarHBondContact NE2-OE1 3.02Å
349L94.5Very high89Confident49 Ų4973.8 Ų73.826%0.25738%0.378SS..EExtended strand (participates in β ladder)trans-98.9130.1175.9-73.1166.5000109.3L317 I319 T325 I328 L329 I347L317-L349 HydrophobicContact CB-CD2 3.92Å; L317-L349 HydrophobicContact CD1-CD2 4.31Å; I319-L349 HydrophobicContact CG2-CD2 3.71Å; T325-L349 VanDerWaalsContact O-CD1 3.28Å; T325-L349 WeakPolarHBondContact O-CD1 3.34Å; I328-L349 HydrophobicContact CG2-CD2 3.92Å; L329-L349 HydrophobicContact CB-CD1 3.88Å; L329-L349 HydrophobicContact CD1-CD1 4.32Å; I347-L349 HydrophobicContact CG2-CG 4.5Å
350E93Very high88.6Confident51 Ų5176.2 Ų76.224%0.23839%0.389CS..EExtended strand (participates in β ladder)trans-133.4152.4-180-64.4177.2-157.900109.7H299 H316 L317 A318 I319 Q348 M356H299-E350 IonicContact CE1-OE2 2.68Å; H299-E350 IonicContact NE2-OE2 3.08Å; H316-E350 IonicContact CE1-OE1 3.42Å; H316-E350 IonicContact CG-OE1 2.76Å; H316-E350 IonicContact ND1-OE1 3.11Å; H316-E350 PolarHBondContact ND1-OE1 3.42Å; L317-E350 PolarHBondContact O-N 3.47Å; A318-E350 CarbonylContact C-O 3.53Å; A318-E350 WeakPolarHBondContact CA-O 3.43Å; I319-E350 VanDerWaalsContact CG1-O 3.3Å; I319-E350 WeakPolarHBondContact CG1-O 3.18Å; I319-E350 PolarHBondContact N-O 3.45Å; Q348-E350 HydrophobicContact CG-CG 4.11Å; Q348-E350 PolarHBondContact NE2-OE1 3.02Å; E350-M356 HydrophobicContact CB-CE 4.27Å
351L93.1Very high88.2Confident95 Ų9582.9 Ų82.950%0.49742%0.421SS..EExtended strand (participates in β ladder)trans-75.9136.6171.3-65.1177.7000109.1I319 V353 M356I319-L351 HydrophobicContact CG1-CD2 4.27Å; L351-V353 PolarHBondContact O-N 3.47Å; L351-M356 WeakPolarHBondContact O-CE 3.36Å
352Y91.5Very high87.7Confident45 Ų4577.7 Ų77.718%0.17640%0.395CS..  trans-63.3128176.3-178.7-89.5000111.5R296 E297 A318 I319 E354R296-Y352 HydrophobicContact CB-CD2 4.04Å; R296-Y352 HydrophobicContact CB-CG 4.3Å; R296-Y352 VanDerWaalsContact CD-CG 3.46Å; R296-Y352 HydrophobicContact CG-CD2 3.71Å; R296-Y352 HydrophobicContact CG-CE2 3.93Å; R296-Y352 HydrophobicContact CG-CG 4.01Å; E297-Y352 HydrophobicContact CB-CD2 4.08Å; E297-Y352 HydrophobicContact CB-CE2 3.96Å; E297-Y352 VanDerWaalsContact OE2-CE2 3.28Å; E297-Y352 WeakPolarHBondContact OE2-CE2 3.41Å; A318-Y352 HydrophobicContact CB-CD2 4.02Å; I319-Y352 PolarHBondContact O-N 3.02Å; Y352-E354 HydrophobicContact CE1-CG 4.3Å
353V89.5Confident87.3Confident72 Ų7283.9 Ų83.944%0.43642%0.421SS..  trans-124.3136.8172-174.70000108.3L351 E355 M356L351-V353 PolarHBondContact O-N 3.47Å; V353-E355 HydrophobicContact CG1-CB 4.23Å; V353-E355 HydrophobicContact CG1-CG 4.23Å; V353-E355 PolarHBondContact O-N 3.34Å; V353-M356 HydrophobicContact CB-CE 4.49Å; V353-M356 HydrophobicContact CB-CG 4.46Å; V353-M356 HydrophobicContact CG2-CE 4.44Å; V353-M356 VanDerWaalsContact O-CB 3.26Å; V353-M356 WeakPolarHBondContact O-CB 3.45Å; V353-M356 VanDerWaalsContact O-CG 3.28Å; V353-M356 WeakPolarHBondContact O-CG 3.24Å; V353-M356 PolarHBondContact O-N 3.39Å
354E85.6Confident86.9Confident151 Ų15185.9 Ų85.971%0.70643%0.43SS*.G310 helixtrans-57.8-26-176.6-64.5-174.7169.200113.6Y352 M356 A357Y352-E354 HydrophobicContact CE1-CG 4.3Å; E354-M356 PolarHBondContact O-N 3.47Å; E354-A357 WeakPolarHBondContact O-CB 3.45Å; E354-A357 PolarHBondContact O-N 2.84Å
355E85.2Confident86.4Confident157 Ų15787.7 Ų87.773%0.73445%0.445SS*.G310 helixtrans-61.4-25.3175.3-63.1-178175.800113.2V353 A357 N358 C359V353-E355 HydrophobicContact CG1-CB 4.23Å; V353-E355 HydrophobicContact CG1-CG 4.23Å; V353-E355 PolarHBondContact O-N 3.34Å; E355-A357 PolarHBondContact O-N 3.31Å; E355-N358 PolarHBondContact O-N 2.93Å; E355-N358 VanDerWaalsContact O-N 3.13Å; E355-C359 PolarHBondContact O-N 3.41Å
356M84.3Confident85.6Confident26 Ų2694.5 Ų94.513%0.12848%0.479CS..G310 helixtrans-59.9-35.5178.7-65.7176.2171.100111.8A318 E350 L351 V353 E354 N358 C359A318-M356 HydrophobicContact CB-SD 3.88Å; E350-M356 HydrophobicContact CB-CE 4.27Å; L351-M356 WeakPolarHBondContact O-CE 3.36Å; V353-M356 HydrophobicContact CB-CE 4.49Å; V353-M356 HydrophobicContact CB-CG 4.46Å; V353-M356 HydrophobicContact CG2-CE 4.44Å; V353-M356 VanDerWaalsContact O-CB 3.26Å; V353-M356 WeakPolarHBondContact O-CB 3.45Å; V353-M356 VanDerWaalsContact O-CG 3.28Å; V353-M356 WeakPolarHBondContact O-CG 3.24Å; V353-M356 PolarHBondContact O-N 3.39Å; E354-M356 PolarHBondContact O-N 3.47Å; M356-N358 PolarHBondContact O-N 3.3Å; M356-N358 VanDerWaalsContact O-N 3.13Å; M356-C359 WeakPolarHBondContact O-CB 3.16Å; M356-C359 PolarHBondContact O-N 3Å; M356-C359 VanDerWaalsContact O-N 3.07Å
357A79Confident84.2Confident58 Ų58103.8 Ų103.848%0.47951%0.513SS..G310 helixtrans-61-25.8179.200000113.3E354 E355E354-A357 WeakPolarHBondContact O-CB 3.45Å; E354-A357 PolarHBondContact O-N 2.84Å; E355-A357 PolarHBondContact O-N 3.31Å
358N80.9Confident83.6Confident144 Ų144107.5 Ų107.577%0.7753%0.531SS*.G310 helixtrans-103.3-1.3-179.8-69-40.3000113.3E355 M356 Y360E355-N358 PolarHBondContact O-N 2.93Å; E355-N358 VanDerWaalsContact O-N 3.13Å; M356-N358 PolarHBondContact O-N 3.3Å; M356-N358 VanDerWaalsContact O-N 3.13Å; N358-Y360 PolarHBondContact O-N 3.23Å
359C83.7Confident82.9Confident42 Ų42107.9 Ų107.928%0.28454%0.535SS..  trans-72.9120.9-175.9179.60000111.3E355 M356 Q361 C362 K363E355-C359 PolarHBondContact O-N 3.41Å; M356-C359 WeakPolarHBondContact O-CB 3.16Å; M356-C359 PolarHBondContact O-N 3Å; M356-C359 VanDerWaalsContact O-N 3.07Å; C359-Q361 VanDerWaalsContact C-N 3.26Å; C359-Q361 PolarHBondContact O-N 3Å; C359-C362 HydrophobicContact CB-CB 3.85Å; C359-C362 PolarHBondContact O-N 3.26Å; C359-C362 VanDerWaalsContact O-N 3.1Å; C359-K363 PolarHBondContact O-N 2.94Å
360Y81.6Confident82.3Confident191 Ų191111.2 Ų111.275%0.74955%0.55SS**G310 helixtrans-60.8-34.9179.1179.9-97.6000112.9N358 C362 K363N358-Y360 PolarHBondContact O-N 3.23Å; Y360-C362 VanDerWaalsContact C-N 3.31Å; Y360-K363 HydrophobicContact CD2-CD 4.33Å; Y360-K363 WeakPolarHBondContact O-CB 3.38Å; Y360-K363 PolarHBondContact O-N 3.11Å
361Q79.9Confident81.7Confident166 Ų166114.8 Ų114.878%0.77657%0.568SS**G310 helixtrans-75.7-20.1178.3-64.2-178.4-55.300113.1C359 K363C359-Q361 VanDerWaalsContact C-N 3.26Å; C359-Q361 PolarHBondContact O-N 3Å; Q361-K363 VanDerWaalsContact C-N 3.35Å
362C77Confident80.9Confident24 Ų24116 Ų11616%0.16257%0.573CS.*G310 helixtrans-86.2-10.2176.4-63.60000112.7H299 C359 Y360H299-C362 HydrophobicContact CB-CB 3.69Å; C359-C362 HydrophobicContact CB-CB 3.85Å; C359-C362 PolarHBondContact O-N 3.26Å; C359-C362 VanDerWaalsContact O-N 3.1Å; Y360-C362 VanDerWaalsContact C-N 3.31Å
363K79.2Confident80.2Confident136 Ų136120.7 Ų120.759%0.59160%0.599SS**SBendtrans-63.6143.9178.1-68.5-173.7178.6-174.50111C359 Y360 Q361C359-K363 PolarHBondContact O-N 2.94Å; Y360-K363 HydrophobicContact CD2-CD 4.33Å; Y360-K363 WeakPolarHBondContact O-CB 3.38Å; Y360-K363 PolarHBondContact O-N 3.11Å; Q361-K363 VanDerWaalsContact C-N 3.35Å
364E78.7Confident79.6Confident108 Ų108124.2 Ų124.251%0.50561%0.611SS.*PPolyproline II helixtrans-60.3147.3174.6-69.9174.3-156.400111.8K286K286-E364 WeakPolarHBondContact CE-OE1 3.24Å; K286-E364 IonicContact NZ-OE1 2.93Å; K286-E364 PolarHBondContact NZ-OE1 3.02Å
365P78.8Confident79.1Confident87 Ų87122.2 Ų122.257%0.56560%0.604SS**PPolyproline II helixtrans-59142.4169.526-32.8000110.4F282F282-P365 HydrophobicContact CE1-CG 4.2Å; F282-P365 HydrophobicContact CE2-CG 4.19Å; F282-P365 HydrophobicContact CZ-CG 3.84Å
366L75.4Confident78.6Confident173 Ų173119.3 Ų119.391%0.90659%0.593SS**PPolyproline II helixtrans-63.1145173-64.4172.3000109.8
367K65.1Low78.1Confident276 Ų276127.7 Ų127.7100%1.264%0.635SS**  trans-57.10-176.1-75.3-173.4179.5-179.60114.5

Retrieved 367 of 367 residues in 359.1 ms (Link to these results)