A0A087YAU2_POEFO Loading...

Golgi-associated PDZ and coiled-coil motif-containing protein

AlphaFold DB , UniProt , Accession A0A087YAU2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 445 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
1M40Very low34.5Very low248 Ų248124.5 Ų124.5100%1.22286%0.857SS**  0110.10-76.8-173.8161.300106.7
2S35.3Very low34.3Very low125 Ų125129.4 Ų129.487%0.87486%0.857SS**  trans-113.6130.9-172.1-470000108.4
3A32.1Very low34.1Very low99 Ų99129.2 Ų129.282%0.81886%0.858SS**  trans178.6142.7155.700000107.5
4S31.2Very low34.4Very low111 Ų111127.9 Ų127.978%0.77685%0.853SS**  cis-172.4118.6-20.950.30000103G6S4-G6 PolarHBondContact O-N 3.27Å
5T38.5Very low34.4Very low150 Ų150124 Ų12492%0.9284%0.844SS**  trans-74.7113171.645.50000108.8
6G29.9Very low34.4Very low77 Ų77126.2 Ų126.279%0.79484%0.843SS**  trans-110.6101.117200000110.3S4S4-G6 PolarHBondContact O-N 3.27Å
7S34.5Very low34.3Very low119 Ų119121.3 Ų121.383%0.83282%0.82SS**  trans-79.2138.6167.737.50000110.7
8S32.5Very low35.1Very low118 Ų118120.8 Ų120.883%0.82582%0.815SS**  trans-143.8156.2170-80.60000110.4
9P34.7Very low35.5Very low116 Ų116119.5 Ų119.575%0.75381%0.807SS**  trans-91.8171.4-141.435.9-35.2000115.2G11P9-G11 PolarHBondContact O-N 2.89Å
10P41Very low36Very low134 Ų134121 Ų12187%0.8780%0.804SS**  trans-78.4106.3-174.331.9-30.7000110.5
11G29.9Very low37Very low72 Ų72119.3 Ų119.374%0.74279%0.794SS**  trans-95.2124.5168.900000110.3P9 S13P9-G11 PolarHBondContact O-N 2.89Å; G11-S13 PolarHBondContact O-N 3.48Å
12H32.5Very low37.9Very low184 Ų184110.6 Ų110.685%0.85275%0.751SS**  trans-30.9120.4178-77.3-87.1000115.5S14H12-S14 VanDerWaalsContact C-N 3.26Å; H12-S14 PolarHBondContact O-N 2.93Å
13S31.3Very low39.4Very low126 Ų126107.3 Ų107.388%0.88172%0.721SS**  trans-70.881.2164.1570000110G11 G15G11-S13 PolarHBondContact O-N 3.48Å; S13-G15 PolarHBondContact O-N 2.83Å
14S38.3Very low41.6Very low111 Ų111110.9 Ų110.978%0.77671%0.713SS**  trans-77.9110.8165.946.40000109.7H12H12-S14 VanDerWaalsContact C-N 3.26Å; H12-S14 PolarHBondContact O-N 2.93Å
15G34Very low44Very low70 Ų70111.7 Ų111.772%0.72270%0.7SS**  trans62.986.6153.500000117S13 G17S13-G15 PolarHBondContact O-N 2.83Å; G15-G17 PolarHBondContact O-N 3.28Å; G15-G17 VanDerWaalsContact O-N 3.1Å
16L34.9Very low46.2Very low159 Ų159104.9 Ų104.983%0.83266%0.657SS**  trans-57.6112152.3-80.3156.2000108.1
17G33.3Very low48.8Very low43 Ų43106.8 Ų106.844%0.44365%0.646SS.*  trans-71.2178.8-172.800000115.4G15 S19 M20G15-G17 PolarHBondContact O-N 3.28Å; G15-G17 VanDerWaalsContact O-N 3.1Å; G17-S19 PolarHBondContact O-N 3.46Å; G17-M20 PolarHBondContact O-N 3.1Å
18P48Very low51.4Low112 Ų112104.6 Ų104.673%0.72763%0.627SS**G310 helixtrans-59.4-12.3-172.4-20.631.5000115.8M20 S21P18-M20 VanDerWaalsContact C-N 3.3Å; P18-M20 PolarHBondContact O-N 2.9Å; P18-S21 PolarHBondContact O-N 2.95Å; P18-S21 VanDerWaalsContact O-N 3.13Å
19S42.3Very low54.1Low97 Ų97102.5 Ų102.568%0.67861%0.606SS**G310 helixtrans-59-35.5-179.3174.50000113.1G17 S21 M22G17-S19 PolarHBondContact O-N 3.46Å; S19-S21 VanDerWaalsContact C-N 3.26Å; S19-S21 PolarHBondContact O-N 3.33Å; S19-M22 PolarHBondContact O-N 2.96Å
20M45.7Very low56.8Low149 Ų149100.1 Ų100.173%0.73459%0.585SS**G310 helixtrans-71.1-16.9178.1-89-149.6176.400114.2G17 P18G17-M20 PolarHBondContact O-N 3.1Å; P18-M20 VanDerWaalsContact C-N 3.3Å; P18-M20 PolarHBondContact O-N 2.9Å
21S56.3Low59.2Low85 Ų85101.3 Ų101.359%0.59458%0.576SS**G310 helixtrans-87.7-11.9-179.4-170.70000113.4P18 S19P18-S21 PolarHBondContact O-N 2.95Å; P18-S21 VanDerWaalsContact O-N 3.13Å; S19-S21 VanDerWaalsContact C-N 3.26Å; S19-S21 PolarHBondContact O-N 3.33Å
22M59.2Low62.2Low66 Ų66103.8 Ų103.833%0.32557%0.569SS.*SBendtrans-82.3-20.3-160.8-128.9161.5-14700114.5S19 W25 F80S19-M22 PolarHBondContact O-N 2.96Å; M22-W25 PolarHBondContact O-NE1 3.48Å; M22-F80 HydrophobicContact CB-CE1 4.38Å; M22-F80 HydrophobicContact CE-CE1 4.06Å; M22-F80 HydrophobicContact CE-CZ 3.84Å; M22-F80 HydrophobicContact CG-CE1 3.5Å; M22-F80 VanDerWaalsContact CG-CE1 3.5Å; M22-F80 HydrophobicContact CG-CE2 4.34Å; M22-F80 HydrophobicContact CG-CZ 3.36Å; M22-F80 HydrophobicContact SD-CD1 4.42Å; M22-F80 HydrophobicContact SD-CE1 3.23Å; M22-F80 WeakPolarHBondContact SD-CE1 3.43Å; M22-F80 HydrophobicContact SD-CZ 3.5Å; M22-F80 VanDerWaalsContact SD-CZ 3.5Å
23F68.6Low65.2Low56 Ų5697.4 Ų97.425%0.24654%0.538CS..SBendtrans-113.65.1179.4-64.3-72.9000113.8W25 L26 E27 Q77 F80F23-W25 PolarHBondContact O-N 2.89Å; F23-W25 VanDerWaalsContact O-N 3.12Å; F23-L26 HydrophobicContact CD1-CD2 4.13Å; F23-L26 WeakPolarHBondContact O-CA 3.39Å; F23-L26 WeakPolarHBondContact O-CB 3.48Å; F23-L26 PolarHBondContact O-N 2.95Å; F23-E27 WeakPolarHBondContact O-CG 3.37Å; F23-E27 PolarHBondContact O-N 3.38Å; F23-Q77 HydrophobicContact CD1-CG 4.32Å; F23-Q77 HydrophobicContact CE1-CB 4.42Å; F23-Q77 HydrophobicContact CE1-CG 3.98Å; F23-F80 HydrophobicContact CE1-CB 4.33Å; F23-F80 HydrophobicContact CE1-CD1 4.36Å; F23-F80 HydrophobicContact CE1-CG 4.33Å; F23-F80 HydrophobicContact CZ-CB 4.46Å; F23-F80 AromaticContact CZ-CD1 3.94Å; F23-F80 HydrophobicContact CZ-CD1 3.94Å; F23-F80 HydrophobicContact CZ-CG 4.35Å
24R77.9Confident68.2Low174 Ų17496.1 Ų96.166%0.65752%0.522SS*.Hα-helixtrans-57.5-33.5-177.8-170.8174.1178.2172.40.2112.8V28R24-V28 WeakPolarHBondContact O-CG2 3.41Å; R24-V28 PolarHBondContact O-N 3.24Å; R24-V28 VanDerWaalsContact O-N 3.14Å
25W80Confident70.9Confident128 Ų12897.5 Ų97.549%0.48551%0.514SS..Hα-helixtrans-73.1-36.217669.6-89.6000112.2M22 F23 V28 L29 T76M22-W25 PolarHBondContact O-NE1 3.48Å; F23-W25 PolarHBondContact O-N 2.89Å; F23-W25 VanDerWaalsContact O-N 3.12Å; W25-V28 PolarHBondContact O-N 3.32Å; W25-L29 HydrophobicContact CE3-CD1 3.51Å; W25-L29 HydrophobicContact CE3-CG 4.39Å; W25-L29 HydrophobicContact CZ3-CD1 3.49Å; W25-L29 VanDerWaalsContact CZ3-CD1 3.49Å; W25-L29 WeakPolarHBondContact O-CG 3.39Å; W25-L29 PolarHBondContact O-N 3.45Å; W25-T76 HydrophobicContact CH2-CG2 3.75Å; W25-T76 HydrophobicContact CZ2-CG2 4.01Å
26L85.1Confident73.8Confident7 Ų796.6 Ų96.64%0.03750%0.5CS..Hα-helixtrans-68.8-41.1177.4-171.368.5000110.2F23 V28 L29 E30 Q77F23-L26 HydrophobicContact CD1-CD2 4.13Å; F23-L26 WeakPolarHBondContact O-CA 3.39Å; F23-L26 WeakPolarHBondContact O-CB 3.48Å; F23-L26 PolarHBondContact O-N 2.95Å; L26-V28 VanDerWaalsContact C-N 3.31Å; L26-V28 PolarHBondContact O-N 2.91Å; L26-L29 PolarHBondContact O-N 3.34Å; L26-E30 WeakPolarHBondContact O-CB 3.33Å; L26-E30 WeakPolarHBondContact O-CG 3.36Å; L26-E30 PolarHBondContact O-N 3.43Å; L26-Q77 HydrophobicContact CD2-CG 3.57Å
27E85Confident76.7Confident117 Ų11791.9 Ų91.955%0.54747%0.473SS..Hα-helixtrans-60.3-39.7172.4-69173.2-178.400112.3F23 K31F23-E27 WeakPolarHBondContact O-CG 3.37Å; F23-E27 PolarHBondContact O-N 3.38Å; E27-K31 WeakPolarHBondContact O-CB 3.31Å; E27-K31 PolarHBondContact O-N 2.82Å
28V89Confident79.7Confident72 Ų7293.8 Ų93.844%0.43648%0.475SS..Hα-helixtrans-64.7-44.8175.3168.70000110.6R24 W25 L26 K31 E32R24-V28 WeakPolarHBondContact O-CG2 3.41Å; R24-V28 PolarHBondContact O-N 3.24Å; R24-V28 VanDerWaalsContact O-N 3.14Å; W25-V28 PolarHBondContact O-N 3.32Å; L26-V28 VanDerWaalsContact C-N 3.31Å; L26-V28 PolarHBondContact O-N 2.91Å; V28-K31 PolarHBondContact O-N 2.9Å; V28-E32 WeakPolarHBondContact O-CG 3.44Å; V28-E32 PolarHBondContact O-N 3.48Å
29L88.6Confident81.9Confident74 Ų7492 Ų9239%0.38746%0.46SS..Hα-helixtrans-65.9-40.9177.9-72.9177.1000112.6W25 L26 K31 E32 F33W25-L29 HydrophobicContact CE3-CD1 3.51Å; W25-L29 HydrophobicContact CE3-CG 4.39Å; W25-L29 HydrophobicContact CZ3-CD1 3.49Å; W25-L29 VanDerWaalsContact CZ3-CD1 3.49Å; W25-L29 WeakPolarHBondContact O-CG 3.39Å; W25-L29 PolarHBondContact O-N 3.45Å; L26-L29 PolarHBondContact O-N 3.34Å; L29-K31 VanDerWaalsContact C-N 3.31Å; L29-K31 PolarHBondContact O-N 3.26Å; L29-E32 PolarHBondContact O-N 3.45Å; L29-F33 VanDerWaalsContact O-CB 3.29Å; L29-F33 WeakPolarHBondContact O-CB 3.48Å; L29-F33 PolarHBondContact O-N 3.12Å
30E92.1Very high84.4Confident66 Ų6690.5 Ų90.531%0.30845%0.446SS..Hα-helixtrans-59.8-44.6174.3-76.5177.8-179.100110.7L26 E32 F33 D34 F69 C73L26-E30 WeakPolarHBondContact O-CB 3.33Å; L26-E30 WeakPolarHBondContact O-CG 3.36Å; L26-E30 PolarHBondContact O-N 3.43Å; E30-E32 PolarHBondContact O-N 3.48Å; E30-F33 PolarHBondContact O-N 3.04Å; E30-D34 WeakPolarHBondContact O-CB 3.47Å; E30-D34 PolarHBondContact O-N 2.89Å; E30-F69 HydrophobicContact CB-CE1 4.42Å; E30-F69 HydrophobicContact CG-CE1 3.87Å; E30-F69 HydrophobicContact CG-CZ 4.11Å; E30-C73 PolarHBondContact OE1-SG 3.07Å; E30-C73 VanDerWaalsContact OE1-SG 3.37Å
31K92Very high86.7Confident159 Ų15985.5 Ų85.569%0.69142%0.422SS*.Hα-helixtrans-64.8-40.8177.1-173.8179-179.7179.60113.2E27 V28 L29 K35E27-K31 WeakPolarHBondContact O-CB 3.31Å; E27-K31 PolarHBondContact O-N 2.82Å; V28-K31 PolarHBondContact O-N 2.9Å; L29-K31 VanDerWaalsContact C-N 3.31Å; L29-K31 PolarHBondContact O-N 3.26Å; K31-K35 WeakPolarHBondContact O-CB 3.38Å; K31-K35 PolarHBondContact O-N 3.31Å
32E92.3Very high88.6Confident125 Ų12586.5 Ų86.558%0.58442%0.421SS*.Hα-helixtrans-66.9-40176-76-175.3172.300111.5V28 L29 E30 K35 A36V28-E32 WeakPolarHBondContact O-CG 3.44Å; V28-E32 PolarHBondContact O-N 3.48Å; L29-E32 PolarHBondContact O-N 3.45Å; E30-E32 PolarHBondContact O-N 3.48Å; E32-K35 PolarHBondContact O-N 3.28Å; E32-A36 WeakPolarHBondContact O-CB 3.36Å; E32-A36 PolarHBondContact O-N 3.39Å
33F95.5Very high90.2Very high49 Ų4988.5 Ų88.522%0.21543%0.432CS..Hα-helixtrans-61.5-49.5174179.7-90.9000111.3L29 E30 K35 A36 F37 F69L29-F33 VanDerWaalsContact O-CB 3.29Å; L29-F33 WeakPolarHBondContact O-CB 3.48Å; L29-F33 PolarHBondContact O-N 3.12Å; E30-F33 PolarHBondContact O-N 3.04Å; F33-K35 VanDerWaalsContact C-N 3.31Å; F33-K35 PolarHBondContact O-N 2.92Å; F33-A36 PolarHBondContact O-N 3.25Å; F33-F37 HydrophobicContact CE1-CB 4.49Å; F33-F37 HydrophobicContact CE1-CD2 4.07Å; F33-F37 HydrophobicContact CZ-CD2 4.12Å; F33-F37 VanDerWaalsContact O-CB 3.28Å; F33-F37 WeakPolarHBondContact O-CB 3.42Å; F33-F37 PolarHBondContact O-N 3.2Å; F33-F69 HydrophobicContact CB-CD1 4.17Å; F33-F69 HydrophobicContact CB-CE1 3.64Å; F33-F69 HydrophobicContact CB-CE2 4.29Å; F33-F69 HydrophobicContact CB-CZ 3.72Å; F33-F69 AromaticContact CD1-CD1 3.5Å; F33-F69 HydrophobicContact CD1-CD1 3.5Å; F33-F69 AromaticContact CD1-CE1 3.76Å; F33-F69 HydrophobicContact CD1-CE1 3.76Å; F33-F69 HydrophobicContact CD1-CG 4.15Å; F33-F69 HydrophobicContact CD2-CB 4.31Å; F33-F69 AromaticContact CD2-CD1 3.96Å; F33-F69 HydrophobicContact CD2-CD1 3.96Å; F33-F69 AromaticContact CD2-CD2 3.98Å; F33-F69 HydrophobicContact CD2-CD2 3.98Å; F33-F69 HydrophobicContact CD2-CE1 4.24Å; F33-F69 HydrophobicContact CD2-CE2 4.28Å; F33-F69 AromaticContact CD2-CG 3.81Å; F33-F69 HydrophobicContact CD2-CG 3.81Å; F33-F69 HydrophobicContact CD2-CZ 4.4Å; F33-F69 HydrophobicContact CE1-CB 4.28Å; F33-F69 AromaticContact CE1-CD1 3.83Å; F33-F69 HydrophobicContact CE1-CD1 3.83Å; F33-F69 HydrophobicContact CE1-CG 4.24Å; F33-F69 HydrophobicContact CE2-CB 3.88Å; F33-F69 HydrophobicContact CE2-CD1 4.25Å; F33-F69 HydrophobicContact CE2-CD2 4.34Å; F33-F69 AromaticContact CE2-CG 3.9Å; F33-F69 HydrophobicContact CE2-CG 3.9Å; F33-F69 AromaticContact CG-CD1 3.58Å; F33-F69 HydrophobicContact CG-CD1 3.58Å; F33-F69 HydrophobicContact CG-CD2 4.3Å; F33-F69 AromaticContact CG-CE1 3.6Å; F33-F69 HydrophobicContact CG-CE1 3.6Å; F33-F69 HydrophobicContact CG-CE2 4.33Å; F33-F69 AromaticContact CG-CG 3.95Å; F33-F69 HydrophobicContact CG-CG 3.95Å; F33-F69 AromaticContact CG-CZ 3.99Å; F33-F69 HydrophobicContact CG-CZ 3.99Å; F33-F69 HydrophobicContact CZ-CB 3.88Å; F33-F69 HydrophobicContact CZ-CD1 4.2Å; F33-F69 HydrophobicContact CZ-CG 4.13Å
34D94.9Very high91.4Very high99 Ų9986.9 Ų86.953%0.52943%0.426SS..Hα-helixtrans-60.5-41.8179.1-74.8-16.9000111.7E30 F37 V38E30-D34 WeakPolarHBondContact O-CB 3.47Å; E30-D34 PolarHBondContact O-N 2.89Å; D34-F37 WeakPolarHBondContact O-CB 3.48Å; D34-F37 PolarHBondContact O-N 3.23Å; D34-V38 WeakPolarHBondContact O-CG2 3.43Å; D34-V38 PolarHBondContact O-N 3.07Å
35K94.1Very high92Very high141 Ų14181.1 Ų81.161%0.61342%0.421SS*.Hα-helixtrans-61.3-51175.5-176.3-176174.7-171.80111.2K31 E32 F33 F37 V38 D39K31-K35 WeakPolarHBondContact O-CB 3.38Å; K31-K35 PolarHBondContact O-N 3.31Å; E32-K35 PolarHBondContact O-N 3.28Å; F33-K35 VanDerWaalsContact C-N 3.31Å; F33-K35 PolarHBondContact O-N 2.92Å; K35-F37 VanDerWaalsContact C-N 3.26Å; K35-F37 PolarHBondContact O-N 3.4Å; K35-V38 PolarHBondContact O-N 2.89Å; K35-D39 VanDerWaalsContact O-CG 3.3Å; K35-D39 PolarHBondContact O-N 2.83Å
36A94.7Very high92.6Very high51 Ų5182.5 Ų82.542%0.42143%0.432SS..Hα-helixtrans-62.5-36.5178.800000111.8E32 F33 D39 V40E32-A36 WeakPolarHBondContact O-CB 3.36Å; E32-A36 PolarHBondContact O-N 3.39Å; F33-A36 PolarHBondContact O-N 3.25Å; A36-D39 PolarHBondContact O-N 3.04Å; A36-V40 VanDerWaalsContact O-CG2 3.27Å; A36-V40 WeakPolarHBondContact O-CG2 3.4Å; A36-V40 PolarHBondContact O-N 3.43Å
37F95.5Very high92.8Very high60 Ų6084.5 Ų84.526%0.26344%0.442SS..Hα-helixtrans-61.1-47.1175.7-169.3-82.5000111F33 D34 K35 V40 D41 M62F33-F37 HydrophobicContact CE1-CB 4.49Å; F33-F37 HydrophobicContact CE1-CD2 4.07Å; F33-F37 HydrophobicContact CZ-CD2 4.12Å; F33-F37 VanDerWaalsContact O-CB 3.28Å; F33-F37 WeakPolarHBondContact O-CB 3.42Å; F33-F37 PolarHBondContact O-N 3.2Å; D34-F37 WeakPolarHBondContact O-CB 3.48Å; D34-F37 PolarHBondContact O-N 3.23Å; K35-F37 VanDerWaalsContact C-N 3.26Å; K35-F37 PolarHBondContact O-N 3.4Å; F37-V40 PolarHBondContact O-N 3Å; F37-D41 PolarHBondContact O-N 2.96Å; F37-M62 HydrophobicContact CD1-CE 3.78Å; F37-M62 HydrophobicContact CD2-CE 3.8Å; F37-M62 HydrophobicContact CE1-CE 3.77Å; F37-M62 HydrophobicContact CE2-CB 3.74Å; F37-M62 HydrophobicContact CE2-CE 3.81Å; F37-M62 WeakPolarHBondContact CE2-O 3.34Å; F37-M62 HydrophobicContact CG-CE 3.79Å; F37-M62 HydrophobicContact CZ-CB 3.99Å; F37-M62 HydrophobicContact CZ-CE 3.79Å; F37-M62 WeakPolarHBondContact O-CE 3.29Å
38V96.1Very high93.1Very high82 Ų8283 Ų8350%0.49744%0.438SS..Hα-helixtrans-62.4-44.8175.6172.60000111.3D34 K35 V40 D41 L42D34-V38 WeakPolarHBondContact O-CG2 3.43Å; D34-V38 PolarHBondContact O-N 3.07Å; K35-V38 PolarHBondContact O-N 2.89Å; V38-V40 VanDerWaalsContact C-N 3.32Å; V38-V40 PolarHBondContact O-N 2.91Å; V38-D41 PolarHBondContact O-N 3.08Å; V38-D41 VanDerWaalsContact O-N 3.16Å; V38-L42 HydrophobicContact CG1-CD1 4.11Å; V38-L42 HydrophobicContact CG1-CG 4.43Å; V38-L42 WeakPolarHBondContact O-CG 3.3Å; V38-L42 PolarHBondContact O-N 2.64Å
39D95.2Very high92.8Very high76 Ų7684.5 Ų84.541%0.40645%0.449SS..Hα-helixtrans-60.5-41.6180-68.9-19.8000111.4K35 A36 L43K35-D39 VanDerWaalsContact O-CG 3.3Å; K35-D39 PolarHBondContact O-N 2.83Å; A36-D39 PolarHBondContact O-N 3.04Å; D39-L43 WeakPolarHBondContact O-CG 3.37Å; D39-L43 PolarHBondContact O-N 2.93Å; D39-L43 VanDerWaalsContact O-N 3.13Å
40V94.7Very high92.8Very high64 Ų6488.2 Ų88.239%0.38847%0.47SS..Hα-helixtrans-68.5-38.3175.9178.40000111.5A36 F37 V38 L42 L43 L44 M62A36-V40 VanDerWaalsContact O-CG2 3.27Å; A36-V40 WeakPolarHBondContact O-CG2 3.4Å; A36-V40 PolarHBondContact O-N 3.43Å; F37-V40 PolarHBondContact O-N 3Å; V38-V40 VanDerWaalsContact C-N 3.32Å; V38-V40 PolarHBondContact O-N 2.91Å; V40-L42 VanDerWaalsContact C-N 3.31Å; V40-L42 PolarHBondContact O-N 2.95Å; V40-L43 PolarHBondContact O-N 3.47Å; V40-L44 HydrophobicContact CG1-CD1 4.44Å; V40-L44 HydrophobicContact CG1-CG 4.49Å; V40-L44 WeakPolarHBondContact O-CG 3.32Å; V40-L44 PolarHBondContact O-N 3.08Å; V40-M62 HydrophobicContact CB-CE 3.9Å; V40-M62 HydrophobicContact CB-SD 4.07Å; V40-M62 HydrophobicContact CG1-CE 3.98Å; V40-M62 HydrophobicContact CG1-CG 4.2Å; V40-M62 HydrophobicContact CG1-SD 3.47Å; V40-M62 WeakPolarHBondContact CG1-SD 3.31Å
41D95Very high92.6Very high45 Ų4589.6 Ų89.624%0.24148%0.476CS..Hα-helixtrans-64.8-37.2178.5-160.966.3000112.3F37 V38 L44 G45 R59 M62F37-D41 PolarHBondContact O-N 2.96Å; V38-D41 PolarHBondContact O-N 3.08Å; V38-D41 VanDerWaalsContact O-N 3.16Å; D41-L44 PolarHBondContact O-N 2.91Å; D41-G45 PolarHBondContact O-N 3.18Å; D41-G45 VanDerWaalsContact O-N 3.16Å; D41-R59 PolarHBondContact O-NH2 3.39Å; D41-R59 IonicContact OD1-CZ 2.72Å; D41-R59 IonicContact OD1-NE 3.73Å; D41-R59 IonicContact OD1-NH1 2.71Å; D41-R59 PolarHBondContact OD1-NH1 3.11Å; D41-R59 IonicContact OD1-NH2 3.92Å; D41-R59 IonicContact OD2-CZ 2.8Å; D41-R59 IonicContact OD2-NH1 3.92Å; D41-R59 PolarHBondContact OD2-NH1 3.11Å; D41-R59 IonicContact OD2-NH2 3.97Å; D41-R59 PolarHBondContact OD2-NH2 3.23Å; D41-M62 HydrophobicContact CB-CE 3.98Å
42L95.1Very high92.4Very high106 Ų10686.6 Ų86.656%0.55547%0.471SS*.Hα-helixtrans-63.7-48.2173.3-71.7172000111.1V38 V40 L44 G45 E46V38-L42 HydrophobicContact CG1-CD1 4.11Å; V38-L42 HydrophobicContact CG1-CG 4.43Å; V38-L42 WeakPolarHBondContact O-CG 3.3Å; V38-L42 PolarHBondContact O-N 2.64Å; V40-L42 VanDerWaalsContact C-N 3.31Å; V40-L42 PolarHBondContact O-N 2.95Å; L42-L44 VanDerWaalsContact C-N 3.3Å; L42-L44 PolarHBondContact O-N 3.12Å; L42-G45 WeakPolarHBondContact O-CA 3.44Å; L42-G45 PolarHBondContact O-N 3.5Å; L42-E46 PolarHBondContact O-N 3.11Å
43L93.6Very high92.4Very high108 Ų10886.8 Ų86.857%0.56548%0.476SS*.Hα-helixtrans-60.1-38.8177.1-70.8172.4000112.4D39 V40 G45 E46D39-L43 WeakPolarHBondContact O-CG 3.37Å; D39-L43 PolarHBondContact O-N 2.93Å; D39-L43 VanDerWaalsContact O-N 3.13Å; V40-L43 PolarHBondContact O-N 3.47Å; L43-G45 PolarHBondContact O-N 3.4Å; L43-E46 PolarHBondContact O-N 2.9Å
44L92.8Very high92.1Very high22 Ų2288.5 Ų88.512%0.11549%0.487CS..Hα-helixtrans-66.1-24.8174.2-73178.8000112.9V40 D41 L42 I47 T55 R59 M62V40-L44 HydrophobicContact CG1-CD1 4.44Å; V40-L44 HydrophobicContact CG1-CG 4.49Å; V40-L44 WeakPolarHBondContact O-CG 3.32Å; V40-L44 PolarHBondContact O-N 3.08Å; D41-L44 PolarHBondContact O-N 2.91Å; L42-L44 VanDerWaalsContact C-N 3.3Å; L42-L44 PolarHBondContact O-N 3.12Å; L44-I47 HydrophobicContact CD2-CD1 3.74Å; L44-T55 HydrophobicContact CB-CG2 4.4Å; L44-T55 WeakPolarHBondContact O-CG2 3.3Å; L44-T55 PolarHBondContact O-OG1 3.32Å; L44-T55 VanDerWaalsContact O-OG1 3.13Å; L44-R59 HydrophobicContact CD1-CG 3.99Å; L44-M62 HydrophobicContact CD1-SD 3.46Å; L44-M62 WeakPolarHBondContact CD1-SD 3.43Å
45G90.4Very high92Very high53 Ų5385.1 Ų85.155%0.54647%0.469SS..Hα-helixtrans-78.2-16.9173.900000114.4D41 L42 L43 I47D41-G45 PolarHBondContact O-N 3.18Å; D41-G45 VanDerWaalsContact O-N 3.16Å; L42-G45 WeakPolarHBondContact O-CA 3.44Å; L42-G45 PolarHBondContact O-N 3.5Å; L43-G45 PolarHBondContact O-N 3.4Å; G45-I47 VanDerWaalsContact C-N 3.35Å
46E92.8Very high92Very high157 Ų15785.8 Ų85.873%0.73447%0.469SS*.SBendtrans-86-7.2175.8-65.1-178.4173.100113.1L42 L43L42-E46 PolarHBondContact O-N 3.11Å; L43-E46 PolarHBondContact O-N 2.9Å
47I90.6Very high91.9Very high48 Ų4889.1 Ų89.125%0.24648%0.476CS..SBendtrans-67.1143.1177.2-62.4178.8000110L44 G45 Q51 I54L44-I47 HydrophobicContact CD2-CD1 3.74Å; G45-I47 VanDerWaalsContact C-N 3.35Å; I47-Q51 HydrophobicContact CG2-CB 3.96Å; I47-I54 HydrophobicContact CD1-CG2 3.94Å
48D89.4Confident91.8Very high85 Ų8587.2 Ų87.246%0.45547%0.473SS..  trans-50.9128.5179.4-164.6-27.7000111.3D50 Q51D48-D50 PolarHBondContact O-N 2.94Å; D48-D50 PolarHBondContact OD1-N 2.95Å; D48-Q51 HydrophobicContact CB-CG 4.47Å; D48-Q51 PolarHBondContact O-N 3.47Å
49P83.4Confident91.8Very high104 Ų10487.9 Ų87.968%0.67547%0.467SS*.G310 helixtrans-53-23.7177.3-27.633.5000114.7Q51 V52P49-Q51 PolarHBondContact O-N 3.06Å; P49-V52 WeakPolarHBondContact O-CG2 3.39Å
50D89.4Confident91.8Very high152 Ų15288.9 Ų88.981%0.81347%0.469SS*.G310 helixtrans-74.8-8.9176.8-69.9-15.3000113D48D48-D50 PolarHBondContact O-N 2.94Å; D48-D50 PolarHBondContact OD1-N 2.95Å
51Q87.8Confident91.8Very high96 Ų9692.2 Ų92.245%0.44948%0.478SS..G310 helixtrans-111.541.7-179.9-60.1-177.82700113I47 D48 P49 D53 I54I47-Q51 HydrophobicContact CG2-CB 3.96Å; D48-Q51 HydrophobicContact CB-CG 4.47Å; D48-Q51 PolarHBondContact O-N 3.47Å; P49-Q51 PolarHBondContact O-N 3.06Å; Q51-D53 PolarHBondContact O-N 3.37Å; Q51-D53 VanDerWaalsContact O-N 3.12Å; Q51-I54 HydrophobicContact CB-CD1 4.2Å; Q51-I54 PolarHBondContact O-N 2.97Å; Q51-I54 VanDerWaalsContact O-N 3.1Å
52V87.4Confident91.9Very high96 Ų9690.7 Ų90.758%0.58247%0.47SS*.Hα-helixtrans-53.3-35.3-176.4-174.30000113.6P49 I54 T55 Y56P49-V52 WeakPolarHBondContact O-CG2 3.39Å; V52-I54 VanDerWaalsContact C-N 3.27Å; V52-I54 PolarHBondContact O-N 2.85Å; V52-T55 PolarHBondContact O-N 2.87Å; V52-Y56 WeakPolarHBondContact O-CB 3.46Å; V52-Y56 PolarHBondContact O-N 2.97Å
53D91.4Very high91.9Very high128 Ų12890.2 Ų90.268%0.68447%0.471SS*.Hα-helixtrans-60.9-37-178.3-65.6-30.9000112Q51 Y56 E57Q51-D53 PolarHBondContact O-N 3.37Å; Q51-D53 VanDerWaalsContact O-N 3.12Å; D53-Y56 PolarHBondContact O-N 3.47Å; D53-E57 WeakPolarHBondContact O-CB 3.27Å; D53-E57 WeakPolarHBondContact O-CG 3.14Å; D53-E57 PolarHBondContact O-N 3.15Å
54I90.5Very high92Very high86 Ų8688.1 Ų88.144%0.44147%0.466SS..Hα-helixtrans-69.6-43.6179.9-60.7179.4000110.4I47 Q51 V52 Y56 G58I47-I54 HydrophobicContact CD1-CG2 3.94Å; Q51-I54 HydrophobicContact CB-CD1 4.2Å; Q51-I54 PolarHBondContact O-N 2.97Å; Q51-I54 VanDerWaalsContact O-N 3.1Å; V52-I54 VanDerWaalsContact C-N 3.27Å; V52-I54 PolarHBondContact O-N 2.85Å; I54-Y56 VanDerWaalsContact C-N 3.34Å; I54-G58 PolarHBondContact O-N 3.45Å
55T92.3Very high92Very high27 Ų2792.2 Ų92.217%0.16649%0.487CS..Hα-helixtrans-64.3-40.6176-58.30000111.2L44 V52 R59L44-T55 HydrophobicContact CB-CG2 4.4Å; L44-T55 WeakPolarHBondContact O-CG2 3.3Å; L44-T55 PolarHBondContact O-OG1 3.32Å; L44-T55 VanDerWaalsContact O-OG1 3.13Å; V52-T55 PolarHBondContact O-N 2.87Å; T55-R59 WeakPolarHBondContact O-CB 3.45Å; T55-R59 WeakPolarHBondContact O-CG 3.47Å; T55-R59 PolarHBondContact O-N 2.78Å
56Y93.1Very high92.2Very high155 Ų15591.9 Ų91.961%0.60848%0.477SS*.Hα-helixtrans-64.8-50.7177.1178.4-98.6000111.9V52 D53 I54 G58 R59 Q60V52-Y56 WeakPolarHBondContact O-CB 3.46Å; V52-Y56 PolarHBondContact O-N 2.97Å; D53-Y56 PolarHBondContact O-N 3.47Å; I54-Y56 VanDerWaalsContact C-N 3.34Å; Y56-G58 VanDerWaalsContact C-N 3.33Å; Y56-G58 PolarHBondContact O-N 3.42Å; Y56-R59 PolarHBondContact O-N 2.98Å; Y56-Q60 WeakPolarHBondContact O-CB 2.81Å; Y56-Q60 PolarHBondContact O-N 3.11Å
57E93.6Very high92.3Very high122 Ų12287.3 Ų87.357%0.5746%0.462SS*.Hα-helixtrans-61.4-42176.5-75.4-164.9168.400111.5D53 Q60 K61D53-E57 WeakPolarHBondContact O-CB 3.27Å; D53-E57 WeakPolarHBondContact O-CG 3.14Å; D53-E57 PolarHBondContact O-N 3.15Å; E57-Q60 WeakPolarHBondContact O-CB 3.24Å; E57-Q60 PolarHBondContact O-N 2.87Å; E57-K61 WeakPolarHBondContact O-CG 3.45Å; E57-K61 PolarHBondContact O-N 3.3Å
58G93.6Very high92.6Very high19 Ų1988.8 Ų88.820%0.19648%0.476CS..Hα-helixtrans-56.7-51.6176.200000112.3I54 Y56 Q60 K61 M62I54-G58 PolarHBondContact O-N 3.45Å; Y56-G58 VanDerWaalsContact C-N 3.33Å; Y56-G58 PolarHBondContact O-N 3.42Å; G58-Q60 VanDerWaalsContact C-N 3.33Å; G58-Q60 PolarHBondContact O-N 3.47Å; G58-K61 PolarHBondContact O-N 3.22Å; G58-M62 WeakPolarHBondContact O-CG 3.42Å; G58-M62 PolarHBondContact O-N 2.77Å
59R95.4Very high92.8Very high96 Ų9686.9 Ų86.936%0.36246%0.463SS..Hα-helixtrans-65-35.1177.9-70.9178.2-175-95.5-6.8112.3D41 L44 T55 Y56 M62 T63D41-R59 PolarHBondContact O-NH2 3.39Å; D41-R59 IonicContact OD1-CZ 2.72Å; D41-R59 IonicContact OD1-NE 3.73Å; D41-R59 IonicContact OD1-NH1 2.71Å; D41-R59 PolarHBondContact OD1-NH1 3.11Å; D41-R59 IonicContact OD1-NH2 3.92Å; D41-R59 IonicContact OD2-CZ 2.8Å; D41-R59 IonicContact OD2-NH1 3.92Å; D41-R59 PolarHBondContact OD2-NH1 3.11Å; D41-R59 IonicContact OD2-NH2 3.97Å; D41-R59 PolarHBondContact OD2-NH2 3.23Å; L44-R59 HydrophobicContact CD1-CG 3.99Å; T55-R59 WeakPolarHBondContact O-CB 3.45Å; T55-R59 WeakPolarHBondContact O-CG 3.47Å; T55-R59 PolarHBondContact O-N 2.78Å; Y56-R59 PolarHBondContact O-N 2.98Å; R59-M62 PolarHBondContact O-N 3.23Å; R59-T63 PolarHBondContact O-N 2.84Å; R59-T63 PolarHBondContact O-OG1 3.48Å
60Q96.3Very high93.2Very high97 Ų9784.7 Ų84.745%0.45345%0.454SS..Hα-helixtrans-64.3-44174.7-169.2-17236.300111.8Y56 E57 G58 T63 S64Y56-Q60 WeakPolarHBondContact O-CB 2.81Å; Y56-Q60 PolarHBondContact O-N 3.11Å; E57-Q60 WeakPolarHBondContact O-CB 3.24Å; E57-Q60 PolarHBondContact O-N 2.87Å; G58-Q60 VanDerWaalsContact C-N 3.33Å; G58-Q60 PolarHBondContact O-N 3.47Å; Q60-T63 PolarHBondContact O-N 3.42Å; Q60-S64 PolarHBondContact O-N 2.91Å; Q60-S64 VanDerWaalsContact O-N 3.1Å; Q60-S64 PolarHBondContact O-OG 3.36Å
61K94.7Very high93.5Very high134 Ų13482.7 Ų82.758%0.58344%0.44SS*.Hα-helixtrans-67.1-40.6176.2-65.4-56.9-179.4-1720111.9E57 G58 T63 S64 L65E57-K61 WeakPolarHBondContact O-CG 3.45Å; E57-K61 PolarHBondContact O-N 3.3Å; G58-K61 PolarHBondContact O-N 3.22Å; K61-T63 VanDerWaalsContact C-N 3.34Å; K61-T63 PolarHBondContact O-N 3.07Å; K61-S64 WeakPolarHBondContact O-CB 3.46Å; K61-S64 PolarHBondContact O-N 3.39Å; K61-S64 VanDerWaalsContact O-N 3.17Å; K61-L65 PolarHBondContact O-N 3.39Å
62M96.7Very high93.6Very high14 Ų1482.9 Ų82.97%0.06944%0.443CS..Hα-helixtrans-57.9-46.5173.1-75179.369.200111.8F37 V40 D41 L44 G58 R59 S64 L65 S66F37-M62 HydrophobicContact CD1-CE 3.78Å; F37-M62 HydrophobicContact CD2-CE 3.8Å; F37-M62 HydrophobicContact CE1-CE 3.77Å; F37-M62 HydrophobicContact CE2-CB 3.74Å; F37-M62 HydrophobicContact CE2-CE 3.81Å; F37-M62 WeakPolarHBondContact CE2-O 3.34Å; F37-M62 HydrophobicContact CG-CE 3.79Å; F37-M62 HydrophobicContact CZ-CB 3.99Å; F37-M62 HydrophobicContact CZ-CE 3.79Å; F37-M62 WeakPolarHBondContact O-CE 3.29Å; V40-M62 HydrophobicContact CB-CE 3.9Å; V40-M62 HydrophobicContact CB-SD 4.07Å; V40-M62 HydrophobicContact CG1-CE 3.98Å; V40-M62 HydrophobicContact CG1-CG 4.2Å; V40-M62 HydrophobicContact CG1-SD 3.47Å; V40-M62 WeakPolarHBondContact CG1-SD 3.31Å; D41-M62 HydrophobicContact CB-CE 3.98Å; L44-M62 HydrophobicContact CD1-SD 3.46Å; L44-M62 WeakPolarHBondContact CD1-SD 3.43Å; G58-M62 WeakPolarHBondContact O-CG 3.42Å; G58-M62 PolarHBondContact O-N 2.77Å; R59-M62 PolarHBondContact O-N 3.23Å; M62-S64 VanDerWaalsContact C-N 3.26Å; M62-S64 PolarHBondContact O-N 2.89Å; M62-L65 WeakPolarHBondContact O-CB 3.43Å; M62-L65 PolarHBondContact O-N 2.97Å; M62-L65 VanDerWaalsContact O-N 3.1Å; M62-S66 PolarHBondContact O-N 3.26Å
63T94.6Very high93.8Very high95 Ų9578.7 Ų78.758%0.58342%0.418SS*.Hα-helixtrans-58.3-40.8176.5-54.70000111.6R59 Q60 K61 S66 S67R59-T63 PolarHBondContact O-N 2.84Å; R59-T63 PolarHBondContact O-OG1 3.48Å; Q60-T63 PolarHBondContact O-N 3.42Å; K61-T63 VanDerWaalsContact C-N 3.34Å; K61-T63 PolarHBondContact O-N 3.07Å; T63-S66 PolarHBondContact O-N 2.82Å; T63-S67 PolarHBondContact O-N 2.8Å
64S94.9Very high93.7Very high64 Ų6478.4 Ų78.445%0.44841%0.413SS..Hα-helixtrans-64.3-43.3175.9-55.50000111.8Q60 K61 M62 S67 C68Q60-S64 PolarHBondContact O-N 2.91Å; Q60-S64 VanDerWaalsContact O-N 3.1Å; Q60-S64 PolarHBondContact O-OG 3.36Å; K61-S64 WeakPolarHBondContact O-CB 3.46Å; K61-S64 PolarHBondContact O-N 3.39Å; K61-S64 VanDerWaalsContact O-N 3.17Å; M62-S64 VanDerWaalsContact C-N 3.26Å; M62-S64 PolarHBondContact O-N 2.89Å; S64-S67 PolarHBondContact O-N 2.89Å; S64-C68 PolarHBondContact O-N 3.33Å; S64-C68 PolarHBondContact O-SG 2.89Å
65L93.9Very high93.8Very high109 Ų10980.7 Ų80.757%0.57142%0.419SS*.Hα-helixtrans-63.3-42.5176.3-75.3170.5000112.3K61 M62 S67 C68 F69K61-L65 PolarHBondContact O-N 3.39Å; M62-L65 WeakPolarHBondContact O-CB 3.43Å; M62-L65 PolarHBondContact O-N 2.97Å; M62-L65 VanDerWaalsContact O-N 3.1Å; L65-S67 VanDerWaalsContact C-N 3.33Å; L65-S67 PolarHBondContact O-N 2.83Å; L65-C68 PolarHBondContact O-N 2.95Å; L65-F69 WeakPolarHBondContact O-CB 3.44Å; L65-F69 PolarHBondContact O-N 3.08Å
66S95.5Very high93.5Very high46 Ų4681.4 Ų81.432%0.32242%0.423SS..Hα-helixtrans-59.8-43.2175176.40000111.5M62 T63 F69 A70M62-S66 PolarHBondContact O-N 3.26Å; T63-S66 PolarHBondContact O-N 2.82Å; S66-F69 PolarHBondContact O-N 3.31Å; S66-A70 WeakPolarHBondContact O-CB 3.48Å; S66-A70 PolarHBondContact O-N 2.91Å
67S94.9Very high93.2Very high61 Ų6177.2 Ų77.243%0.42741%0.409SS..Hα-helixtrans-62.2-44.4174.9-172.60000112.7T63 S64 L65 A70 Q71T63-S67 PolarHBondContact O-N 2.8Å; S64-S67 PolarHBondContact O-N 2.89Å; L65-S67 VanDerWaalsContact C-N 3.33Å; L65-S67 PolarHBondContact O-N 2.83Å; S67-A70 PolarHBondContact O-N 3.22Å; S67-Q71 WeakPolarHBondContact O-CG 3.33Å; S67-Q71 PolarHBondContact O-N 3.14Å; S67-Q71 VanDerWaalsContact O-N 3.08Å; S67-Q71 PolarHBondContact OG-NE2 3.21Å
68C95.3Very high93Very high79 Ų7973.9 Ų73.953%0.53440%0.398SS..Hα-helixtrans-62.6-43.2176.7-71.70000112S64 L65 Q71 L72S64-C68 PolarHBondContact O-N 3.33Å; S64-C68 PolarHBondContact O-SG 2.89Å; L65-C68 PolarHBondContact O-N 2.95Å; C68-Q71 PolarHBondContact O-N 2.82Å; C68-L72 WeakPolarHBondContact O-CB 3.43Å; C68-L72 PolarHBondContact O-N 2.88Å
69F94.9Very high92.6Very high44 Ų4477 Ų7719%0.19341%0.412CS..Hα-helixtrans-64.2-44.5178.4-176.8-106.5000111.6E30 F33 L65 S66 Q71 L72 C73E30-F69 HydrophobicContact CB-CE1 4.42Å; E30-F69 HydrophobicContact CG-CE1 3.87Å; E30-F69 HydrophobicContact CG-CZ 4.11Å; F33-F69 HydrophobicContact CB-CD1 4.17Å; F33-F69 HydrophobicContact CB-CE1 3.64Å; F33-F69 HydrophobicContact CB-CE2 4.29Å; F33-F69 HydrophobicContact CB-CZ 3.72Å; F33-F69 AromaticContact CD1-CD1 3.5Å; F33-F69 HydrophobicContact CD1-CD1 3.5Å; F33-F69 AromaticContact CD1-CE1 3.76Å; F33-F69 HydrophobicContact CD1-CE1 3.76Å; F33-F69 HydrophobicContact CD1-CG 4.15Å; F33-F69 HydrophobicContact CD2-CB 4.31Å; F33-F69 AromaticContact CD2-CD1 3.96Å; F33-F69 HydrophobicContact CD2-CD1 3.96Å; F33-F69 AromaticContact CD2-CD2 3.98Å; F33-F69 HydrophobicContact CD2-CD2 3.98Å; F33-F69 HydrophobicContact CD2-CE1 4.24Å; F33-F69 HydrophobicContact CD2-CE2 4.28Å; F33-F69 AromaticContact CD2-CG 3.81Å; F33-F69 HydrophobicContact CD2-CG 3.81Å; F33-F69 HydrophobicContact CD2-CZ 4.4Å; F33-F69 HydrophobicContact CE1-CB 4.28Å; F33-F69 AromaticContact CE1-CD1 3.83Å; F33-F69 HydrophobicContact CE1-CD1 3.83Å; F33-F69 HydrophobicContact CE1-CG 4.24Å; F33-F69 HydrophobicContact CE2-CB 3.88Å; F33-F69 HydrophobicContact CE2-CD1 4.25Å; F33-F69 HydrophobicContact CE2-CD2 4.34Å; F33-F69 AromaticContact CE2-CG 3.9Å; F33-F69 HydrophobicContact CE2-CG 3.9Å; F33-F69 AromaticContact CG-CD1 3.58Å; F33-F69 HydrophobicContact CG-CD1 3.58Å; F33-F69 HydrophobicContact CG-CD2 4.3Å; F33-F69 AromaticContact CG-CE1 3.6Å; F33-F69 HydrophobicContact CG-CE1 3.6Å; F33-F69 HydrophobicContact CG-CE2 4.33Å; F33-F69 AromaticContact CG-CG 3.95Å; F33-F69 HydrophobicContact CG-CG 3.95Å; F33-F69 AromaticContact CG-CZ 3.99Å; F33-F69 HydrophobicContact CG-CZ 3.99Å; F33-F69 HydrophobicContact CZ-CB 3.88Å; F33-F69 HydrophobicContact CZ-CD1 4.2Å; F33-F69 HydrophobicContact CZ-CG 4.13Å; L65-F69 WeakPolarHBondContact O-CB 3.44Å; L65-F69 PolarHBondContact O-N 3.08Å; S66-F69 PolarHBondContact O-N 3.31Å; F69-Q71 VanDerWaalsContact C-N 3.32Å; F69-Q71 PolarHBondContact O-N 3.39Å; F69-L72 WeakPolarHBondContact O-CB 3.33Å; F69-L72 PolarHBondContact O-N 2.9Å; F69-L72 VanDerWaalsContact O-N 3.09Å; F69-C73 PolarHBondContact O-N 2.84Å; F69-C73 PolarHBondContact O-SG 3.43Å
70A91.9Very high92.1Very high58 Ų5875.3 Ų75.348%0.47941%0.408SS..Hα-helixtrans-59.3-41.7175.300000112.5S66 S67 L72 C73 H74S66-A70 WeakPolarHBondContact O-CB 3.48Å; S66-A70 PolarHBondContact O-N 2.91Å; S67-A70 PolarHBondContact O-N 3.22Å; A70-L72 VanDerWaalsContact C-N 3.35Å; A70-C73 PolarHBondContact O-N 3.14Å; A70-H74 PolarHBondContact O-N 3Å
71Q94.1Very high91.6Very high110 Ų11076.6 Ų76.651%0.51441%0.414SS..Hα-helixtrans-65.5-37.9175-70.9177.846.200112.3S67 C68 F69 K75S67-Q71 WeakPolarHBondContact O-CG 3.33Å; S67-Q71 PolarHBondContact O-N 3.14Å; S67-Q71 VanDerWaalsContact O-N 3.08Å; S67-Q71 PolarHBondContact OG-NE2 3.21Å; C68-Q71 PolarHBondContact O-N 2.82Å; F69-Q71 VanDerWaalsContact C-N 3.32Å; F69-Q71 PolarHBondContact O-N 3.39Å; Q71-K75 WeakPolarHBondContact O-CB 3.21Å; Q71-K75 WeakPolarHBondContact O-CG 3.31Å; Q71-K75 PolarHBondContact O-N 2.97Å
72L90.8Very high91.1Very high101 Ų10175 Ų7553%0.52941%0.411SS..Hα-helixtrans-64.1-46.5175.6-179.265000111.1C68 F69 A70 H74 K75 T76C68-L72 WeakPolarHBondContact O-CB 3.43Å; C68-L72 PolarHBondContact O-N 2.88Å; F69-L72 WeakPolarHBondContact O-CB 3.33Å; F69-L72 PolarHBondContact O-N 2.9Å; F69-L72 VanDerWaalsContact O-N 3.09Å; A70-L72 VanDerWaalsContact C-N 3.35Å; L72-H74 PolarHBondContact O-N 3.46Å; L72-K75 PolarHBondContact O-N 3.29Å; L72-T76 VanDerWaalsContact O-CB 3.3Å; L72-T76 WeakPolarHBondContact O-CB 3.32Å; L72-T76 PolarHBondContact O-N 2.97Å; L72-T76 PolarHBondContact O-OG1 3.27Å
73C90.6Very high90.3Very high7 Ų778.1 Ų78.15%0.04743%0.428CS..Hα-helixtrans-57.3-49.8175.5-70.20000111E30 F69 A70 K75 T76 Q77E30-C73 PolarHBondContact OE1-SG 3.07Å; E30-C73 VanDerWaalsContact OE1-SG 3.37Å; F69-C73 PolarHBondContact O-N 2.84Å; F69-C73 PolarHBondContact O-SG 3.43Å; A70-C73 PolarHBondContact O-N 3.14Å; C73-K75 PolarHBondContact O-N 3.46Å; C73-T76 PolarHBondContact O-N 3.27Å; C73-Q77 WeakPolarHBondContact O-CG 3.44Å; C73-Q77 PolarHBondContact O-N 2.93Å
74H90.6Very high89.6Confident123 Ų12378.6 Ų78.657%0.56942%0.423SS*.Hα-helixtrans-60.4-46179-177.4-78.1000112.6A70 L72 T76 Q77 T78A70-H74 PolarHBondContact O-N 3Å; L72-H74 PolarHBondContact O-N 3.46Å; H74-T76 VanDerWaalsContact C-N 3.34Å; H74-T76 PolarHBondContact O-N 2.68Å; H74-Q77 PolarHBondContact O-N 3.48Å; H74-T78 WeakPolarHBondContact O-CB 3.27Å; H74-T78 PolarHBondContact O-N 3.45Å; H74-T78 PolarHBondContact O-OG1 3.37Å
75K91.3Very high89Confident134 Ų13481.7 Ų81.758%0.58343%0.429SS*.Hα-helixtrans-63.4-41.3177.7-75.4179.2-175.6-67.30111.5Q71 L72 C73 T78 V79Q71-K75 WeakPolarHBondContact O-CB 3.21Å; Q71-K75 WeakPolarHBondContact O-CG 3.31Å; Q71-K75 PolarHBondContact O-N 2.97Å; L72-K75 PolarHBondContact O-N 3.29Å; C73-K75 PolarHBondContact O-N 3.46Å; K75-T78 WeakPolarHBondContact O-CB 3.33Å; K75-T78 PolarHBondContact O-N 3.35Å; K75-V79 WeakPolarHBondContact O-CG2 3.28Å; K75-V79 PolarHBondContact O-N 2.96Å
76T87.9Confident88.5Confident41 Ų4181 Ų8125%0.25243%0.425SS..Hα-helixtrans-62-47.2177.2-58.40000111.1W25 L72 C73 H74 T78 V79 F80W25-T76 HydrophobicContact CH2-CG2 3.75Å; W25-T76 HydrophobicContact CZ2-CG2 4.01Å; L72-T76 VanDerWaalsContact O-CB 3.3Å; L72-T76 WeakPolarHBondContact O-CB 3.32Å; L72-T76 PolarHBondContact O-N 2.97Å; L72-T76 PolarHBondContact O-OG1 3.27Å; C73-T76 PolarHBondContact O-N 3.27Å; H74-T76 VanDerWaalsContact C-N 3.34Å; H74-T76 PolarHBondContact O-N 2.68Å; T76-T78 VanDerWaalsContact C-N 3.3Å; T76-T78 PolarHBondContact O-N 3.12Å; T76-V79 PolarHBondContact O-N 3.41Å; T76-F80 WeakPolarHBondContact O-CB 3.39Å; T76-F80 PolarHBondContact O-N 3.04Å
77Q86.6Confident87.8Confident67 Ų6784.1 Ų84.131%0.31344%0.435SS..Hα-helixtrans-58.8-42.3174.6-70.8173.95.500111.6F23 L26 C73 H74 F80 Q81F23-Q77 HydrophobicContact CD1-CG 4.32Å; F23-Q77 HydrophobicContact CE1-CB 4.42Å; F23-Q77 HydrophobicContact CE1-CG 3.98Å; L26-Q77 HydrophobicContact CD2-CG 3.57Å; C73-Q77 WeakPolarHBondContact O-CG 3.44Å; C73-Q77 PolarHBondContact O-N 2.93Å; H74-Q77 PolarHBondContact O-N 3.48Å; Q77-F80 PolarHBondContact O-N 3.48Å; Q77-Q81 WeakPolarHBondContact O-CG 3.42Å; Q77-Q81 PolarHBondContact O-N 2.92Å
78T88.8Confident87.1Confident53 Ų5383.5 Ų83.533%0.32543%0.433SS..Hα-helixtrans-64-48178.6-54.50000112H74 K75 T76 F80 Q81 L82H74-T78 WeakPolarHBondContact O-CB 3.27Å; H74-T78 PolarHBondContact O-N 3.45Å; H74-T78 PolarHBondContact O-OG1 3.37Å; K75-T78 WeakPolarHBondContact O-CB 3.33Å; K75-T78 PolarHBondContact O-N 3.35Å; T76-T78 VanDerWaalsContact C-N 3.3Å; T76-T78 PolarHBondContact O-N 3.12Å; T78-F80 PolarHBondContact O-N 2.9Å; T78-Q81 PolarHBondContact O-N 2.91Å; T78-L82 HydrophobicContact CG2-CD1 4.15Å; T78-L82 WeakPolarHBondContact O-CG 3.39Å; T78-L82 PolarHBondContact O-N 3.49Å
79V86.3Confident86.9Confident83 Ų8384 Ų8450%0.50343%0.428SS..Hα-helixtrans-58.8-42.3176.91690000110.2K75 T76 L82 N83K75-V79 WeakPolarHBondContact O-CG2 3.28Å; K75-V79 PolarHBondContact O-N 2.96Å; T76-V79 PolarHBondContact O-N 3.41Å; V79-L82 PolarHBondContact O-N 2.87Å; V79-N83 PolarHBondContact O-N 3.35Å
80F84.2Confident86.2Confident62 Ų6286.5 Ų86.527%0.27244%0.442SS..Hα-helixtrans-64.7-45.8179.7-161.9-78.7000112.2M22 F23 T76 Q77 T78 L82 N83 H84M22-F80 HydrophobicContact CB-CE1 4.38Å; M22-F80 HydrophobicContact CE-CE1 4.06Å; M22-F80 HydrophobicContact CE-CZ 3.84Å; M22-F80 HydrophobicContact CG-CE1 3.5Å; M22-F80 VanDerWaalsContact CG-CE1 3.5Å; M22-F80 HydrophobicContact CG-CE2 4.34Å; M22-F80 HydrophobicContact CG-CZ 3.36Å; M22-F80 HydrophobicContact SD-CD1 4.42Å; M22-F80 HydrophobicContact SD-CE1 3.23Å; M22-F80 WeakPolarHBondContact SD-CE1 3.43Å; M22-F80 HydrophobicContact SD-CZ 3.5Å; M22-F80 VanDerWaalsContact SD-CZ 3.5Å; F23-F80 HydrophobicContact CE1-CB 4.33Å; F23-F80 HydrophobicContact CE1-CD1 4.36Å; F23-F80 HydrophobicContact CE1-CG 4.33Å; F23-F80 HydrophobicContact CZ-CB 4.46Å; F23-F80 AromaticContact CZ-CD1 3.94Å; F23-F80 HydrophobicContact CZ-CD1 3.94Å; F23-F80 HydrophobicContact CZ-CG 4.35Å; T76-F80 WeakPolarHBondContact O-CB 3.39Å; T76-F80 PolarHBondContact O-N 3.04Å; Q77-F80 PolarHBondContact O-N 3.48Å; T78-F80 PolarHBondContact O-N 2.9Å; F80-L82 VanDerWaalsContact C-N 3.31Å; F80-L82 PolarHBondContact O-N 3.01Å; F80-N83 PolarHBondContact O-N 2.97Å; F80-H84 PolarHBondContact O-N 3.49Å
81Q84.5Confident85.7Confident124 Ų12488.3 Ų88.358%0.57945%0.447SS*.Hα-helixtrans-60.6-40.3175.3-73.5174.31.100112.3Q77 T78 H84 K85Q77-Q81 WeakPolarHBondContact O-CG 3.42Å; Q77-Q81 PolarHBondContact O-N 2.92Å; T78-Q81 PolarHBondContact O-N 2.91Å; Q81-H84 PolarHBondContact O-N 3.38Å; Q81-K85 PolarHBondContact O-N 3.45Å
82L84.3Confident85.2Confident99 Ų9987.8 Ų87.852%0.51845%0.448SS..Hα-helixtrans-64.8-44.4175.9-74.2170.4000111.7T78 V79 F80 H84 K85 L86T78-L82 HydrophobicContact CG2-CD1 4.15Å; T78-L82 WeakPolarHBondContact O-CG 3.39Å; T78-L82 PolarHBondContact O-N 3.49Å; V79-L82 PolarHBondContact O-N 2.87Å; F80-L82 VanDerWaalsContact C-N 3.31Å; F80-L82 PolarHBondContact O-N 3.01Å; L82-H84 VanDerWaalsContact C-N 3.33Å; L82-H84 PolarHBondContact O-N 3.35Å; L82-K85 WeakPolarHBondContact O-CB 3.39Å; L82-K85 PolarHBondContact O-N 3.25Å; L82-L86 WeakPolarHBondContact O-CG 3.5Å; L82-L86 PolarHBondContact O-N 3Å
83N80.6Confident84.7Confident81 Ų8188 Ų8843%0.43345%0.449SS..Hα-helixtrans-59.7-44.7175.5-79.5-9.3000111.4V79 F80 K85 L86 E87V79-N83 PolarHBondContact O-N 3.35Å; F80-N83 PolarHBondContact O-N 2.97Å; N83-K85 VanDerWaalsContact C-N 3.28Å; N83-K85 PolarHBondContact O-N 2.98Å; N83-L86 PolarHBondContact O-N 3.01Å; N83-L86 VanDerWaalsContact O-N 3.13Å; N83-E87 WeakPolarHBondContact O-CG 3.38Å; N83-E87 PolarHBondContact O-N 3.11Å
84H80.3Confident84.2Confident104 Ų10494.5 Ų94.548%0.48147%0.473SS..Hα-helixtrans-61-38.8177.3-169.458.7000112.4F80 Q81 L82 E87 A88F80-H84 PolarHBondContact O-N 3.49Å; Q81-H84 PolarHBondContact O-N 3.38Å; L82-H84 VanDerWaalsContact C-N 3.33Å; L82-H84 PolarHBondContact O-N 3.35Å; H84-E87 IonicContact ND1-OE2 3.58Å; H84-E87 PolarHBondContact O-N 2.99Å; H84-A88 PolarHBondContact O-N 3.03Å
85K81.8Confident83.7Confident130 Ų13091.4 Ų91.457%0.56547%0.465SS*.Hα-helixtrans-65.6-41.5174.2-173178.3179.4-179.80112.2Q81 L82 N83 A88 Q89Q81-K85 PolarHBondContact O-N 3.45Å; L82-K85 WeakPolarHBondContact O-CB 3.39Å; L82-K85 PolarHBondContact O-N 3.25Å; N83-K85 VanDerWaalsContact C-N 3.28Å; N83-K85 PolarHBondContact O-N 2.98Å; K85-A88 PolarHBondContact O-N 2.93Å; K85-Q89 WeakPolarHBondContact O-CG 3.35Å; K85-Q89 PolarHBondContact O-N 3.16Å
86L84.5Confident83.3Confident93 Ų9390.8 Ų90.849%0.48746%0.464SS..Hα-helixtrans-65.7-39.6176.6-72.6171.5000111.8L82 N83 Q89 L90L82-L86 WeakPolarHBondContact O-CG 3.5Å; L82-L86 PolarHBondContact O-N 3Å; N83-L86 PolarHBondContact O-N 3.01Å; N83-L86 VanDerWaalsContact O-N 3.13Å; L86-Q89 PolarHBondContact O-N 3.13Å; L86-L90 WeakPolarHBondContact O-CB 3.4Å; L86-L90 PolarHBondContact O-N 3.27Å
87E80.3Confident82.7Confident113 Ų11393.4 Ų93.453%0.52848%0.476SS..Hα-helixtrans-60.5-45.8174-75.4174.8174.300111.3N83 H84 L90 V91N83-E87 WeakPolarHBondContact O-CG 3.38Å; N83-E87 PolarHBondContact O-N 3.11Å; H84-E87 IonicContact ND1-OE2 3.58Å; H84-E87 PolarHBondContact O-N 2.99Å; E87-L90 WeakPolarHBondContact O-CB 3.47Å; E87-L90 PolarHBondContact O-N 3.36Å; E87-V91 WeakPolarHBondContact O-CG2 3.27Å; E87-V91 PolarHBondContact O-N 3.22Å
88A80.8Confident82.4Confident47 Ų4791.6 Ų91.639%0.38847%0.47SS..Hα-helixtrans-60-46.9175.700000111.8H84 K85 L90 V91 D92H84-A88 PolarHBondContact O-N 3.03Å; K85-A88 PolarHBondContact O-N 2.93Å; A88-L90 VanDerWaalsContact C-N 3.3Å; A88-L90 PolarHBondContact O-N 3.28Å; A88-V91 WeakPolarHBondContact O-CB 3.24Å; A88-V91 PolarHBondContact O-N 3.18Å; A88-V91 VanDerWaalsContact O-N 3.12Å; A88-D92 PolarHBondContact O-N 3.14Å
89Q89.2Confident81.8Confident90 Ų9092.4 Ų92.442%0.42147%0.47SS..Hα-helixtrans-60.9-37.6176.6-72.8178.3-17.700112.9K85 L86 V91 D92 L93K85-Q89 WeakPolarHBondContact O-CG 3.35Å; K85-Q89 PolarHBondContact O-N 3.16Å; L86-Q89 PolarHBondContact O-N 3.13Å; Q89-V91 VanDerWaalsContact C-N 3.33Å; Q89-D92 PolarHBondContact O-N 3.37Å; Q89-L93 WeakPolarHBondContact O-CB 3.38Å; Q89-L93 WeakPolarHBondContact O-CG 3.44Å; Q89-L93 PolarHBondContact O-N 3.3Å
90L81.3Confident81.1Confident96 Ų9691 Ų9150%0.50347%0.466SS..Hα-helixtrans-64.9-38.4175.4-89.2169.4000112.1L86 E87 A88 R94L86-L90 WeakPolarHBondContact O-CB 3.4Å; L86-L90 PolarHBondContact O-N 3.27Å; E87-L90 WeakPolarHBondContact O-CB 3.47Å; E87-L90 PolarHBondContact O-N 3.36Å; A88-L90 VanDerWaalsContact C-N 3.3Å; A88-L90 PolarHBondContact O-N 3.28Å; L90-R94 WeakPolarHBondContact O-CB 3.26Å; L90-R94 WeakPolarHBondContact O-CG 3.29Å; L90-R94 PolarHBondContact O-N 3.07Å
91V82.4Confident80.6Confident96 Ų9693.3 Ų93.358%0.58248%0.476SS*.Hα-helixtrans-65.7-44.9175.7172.90000110.5E87 A88 Q89 R94 S95E87-V91 WeakPolarHBondContact O-CG2 3.27Å; E87-V91 PolarHBondContact O-N 3.22Å; A88-V91 WeakPolarHBondContact O-CB 3.24Å; A88-V91 PolarHBondContact O-N 3.18Å; A88-V91 VanDerWaalsContact O-N 3.12Å; Q89-V91 VanDerWaalsContact C-N 3.33Å; V91-R94 WeakPolarHBondContact O-CB 3.44Å; V91-R94 PolarHBondContact O-N 3.3Å; V91-S95 PolarHBondContact O-N 2.92Å
92D82.1Confident80.1Confident99 Ų9987.6 Ų87.653%0.52945%0.45SS..Hα-helixtrans-60.7-49.2177.8-67.3-22000111.4A88 Q89 R94 S95 E96A88-D92 PolarHBondContact O-N 3.14Å; Q89-D92 PolarHBondContact O-N 3.37Å; D92-R94 VanDerWaalsContact C-N 3.27Å; D92-R94 PolarHBondContact O-N 3.23Å; D92-S95 WeakPolarHBondContact O-CA 3.46Å; D92-S95 VanDerWaalsContact O-CB 3.31Å; D92-S95 WeakPolarHBondContact O-CB 3.5Å; D92-S95 PolarHBondContact O-N 3.47Å; D92-E96 PolarHBondContact O-N 3.38Å
93L81.4Confident79.6Confident105 Ų10587.8 Ų87.855%0.5545%0.449SS..Hα-helixtrans-61.4-34.7177.3-74.3172000112.9Q89 L97Q89-L93 WeakPolarHBondContact O-CB 3.38Å; Q89-L93 WeakPolarHBondContact O-CG 3.44Å; Q89-L93 PolarHBondContact O-N 3.3Å; L93-L97 WeakPolarHBondContact O-CB 3.44Å; L93-L97 PolarHBondContact O-N 2.98Å
94R80.3Confident79.5Confident144 Ų14491.5 Ų91.554%0.54346%0.457SS..Hα-helixtrans-65.5-42.3174.1-78.5174.2-178.3-163.72.1111.1L90 V91 D92 L97 T98L90-R94 WeakPolarHBondContact O-CB 3.26Å; L90-R94 WeakPolarHBondContact O-CG 3.29Å; L90-R94 PolarHBondContact O-N 3.07Å; V91-R94 WeakPolarHBondContact O-CB 3.44Å; V91-R94 PolarHBondContact O-N 3.3Å; D92-R94 VanDerWaalsContact C-N 3.27Å; D92-R94 PolarHBondContact O-N 3.23Å; R94-L97 PolarHBondContact O-N 3.41Å; R94-T98 WeakPolarHBondContact O-CG2 3.33Å; R94-T98 PolarHBondContact O-N 2.98Å; R94-T98 PolarHBondContact O-OG1 3.21Å
95S78.6Confident79.4Confident58 Ų5889 Ų8941%0.40645%0.454SS..Hα-helixtrans-59.9-49.6175.4-1740000111.2V91 D92 L97 T98 E99V91-S95 PolarHBondContact O-N 2.92Å; D92-S95 WeakPolarHBondContact O-CA 3.46Å; D92-S95 VanDerWaalsContact O-CB 3.31Å; D92-S95 WeakPolarHBondContact O-CB 3.5Å; D92-S95 PolarHBondContact O-N 3.47Å; S95-L97 VanDerWaalsContact C-N 3.32Å; S95-L97 PolarHBondContact O-N 3.24Å; S95-T98 WeakPolarHBondContact CA-OG1 3.45Å; S95-T98 PolarHBondContact O-N 3.47Å; S95-T98 VanDerWaalsContact O-N 3.12Å; S95-T98 PolarHBondContact O-OG1 3.02Å; S95-E99 PolarHBondContact O-N 3.47Å
96E82.9Confident79.3Confident121 Ų12183.8 Ų83.857%0.56543%0.433SS*.Hα-helixtrans-58.5-42.7176.4-69.3177.9-177.700112D92 T98 E99 A100D92-E96 PolarHBondContact O-N 3.38Å; E96-T98 VanDerWaalsContact C-N 3.34Å; E96-T98 PolarHBondContact O-N 3.42Å; E96-E99 PolarHBondContact O-N 3.47Å; E96-A100 WeakPolarHBondContact O-CB 3.47Å; E96-A100 PolarHBondContact O-N 2.95Å
97L76.8Confident78.9Confident96 Ų9683.3 Ų83.350%0.50343%0.433SS..Hα-helixtrans-63.6-39177-178.266.1000112.2L93 R94 S95 K101L93-L97 WeakPolarHBondContact O-CB 3.44Å; L93-L97 PolarHBondContact O-N 2.98Å; R94-L97 PolarHBondContact O-N 3.41Å; S95-L97 VanDerWaalsContact C-N 3.32Å; S95-L97 PolarHBondContact O-N 3.24Å; L97-K101 HydrophobicContact CG-CD 4.39Å; L97-K101 WeakPolarHBondContact O-CB 3.4Å; L97-K101 VanDerWaalsContact O-CG 3.28Å; L97-K101 WeakPolarHBondContact O-CG 3.47Å; L97-K101 PolarHBondContact O-N 2.87Å; L97-K101 VanDerWaalsContact O-N 3.07Å
98T78.7Confident78.7Confident30 Ų3083 Ų8318%0.18443%0.432CS..Hα-helixtrans-67.7-40.1176.451.60000112.1R94 S95 E96 K101 S102 L173R94-T98 WeakPolarHBondContact O-CG2 3.33Å; R94-T98 PolarHBondContact O-N 2.98Å; R94-T98 PolarHBondContact O-OG1 3.21Å; S95-T98 WeakPolarHBondContact CA-OG1 3.45Å; S95-T98 PolarHBondContact O-N 3.47Å; S95-T98 VanDerWaalsContact O-N 3.12Å; S95-T98 PolarHBondContact O-OG1 3.02Å; E96-T98 VanDerWaalsContact C-N 3.34Å; E96-T98 PolarHBondContact O-N 3.42Å; T98-K101 PolarHBondContact O-N 2.84Å; T98-S102 PolarHBondContact O-N 3.15Å; T98-L173 HydrophobicContact CG2-CD1 4.06Å
99E76.3Confident78.7Confident70 Ų7086.9 Ų86.933%0.32744%0.44SS..Hα-helixtrans-60.3-53175-173.2153.7-154.400111S95 E96 K101 S102 E103 R166S95-E99 PolarHBondContact O-N 3.47Å; E96-E99 PolarHBondContact O-N 3.47Å; E99-K101 VanDerWaalsContact C-N 3.28Å; E99-K101 PolarHBondContact O-N 3.31Å; E99-S102 PolarHBondContact O-N 3.12Å; E99-S102 PolarHBondContact O-OG 3.36Å; E99-E103 PolarHBondContact O-N 3.4Å; E99-R166 VanDerWaalsContact CD-CZ 3.41Å; E99-R166 IonicContact OE1-CZ 2.84Å; E99-R166 IonicContact OE1-NH1 3.21Å; E99-R166 PolarHBondContact OE1-NH1 3.06Å; E99-R166 IonicContact OE1-NH2 3.97Å; E99-R166 IonicContact OE2-CZ 3.56Å; E99-R166 IonicContact OE2-NH1 2.82Å; E99-R166 IonicContact OE2-NH2 2.83Å; E99-R166 PolarHBondContact OE2-NH2 3.21Å
100A71.1Confident78.2Confident52 Ų5285.2 Ų85.243%0.4343%0.432SS..Hα-helixtrans-58.6-38178.400000112.8E96 R104E96-A100 WeakPolarHBondContact O-CB 3.47Å; E96-A100 PolarHBondContact O-N 2.95Å; A100-R104 WeakPolarHBondContact O-CB 3.43Å; A100-R104 PolarHBondContact O-N 3.37Å
101K75.3Confident78.1Confident111 Ų11184.6 Ų84.648%0.48343%0.433SS..Hα-helixtrans-65.7-40174.8-78.8175.7179.8175.80112.2L97 T98 E99 A105L97-K101 HydrophobicContact CG-CD 4.39Å; L97-K101 WeakPolarHBondContact O-CB 3.4Å; L97-K101 VanDerWaalsContact O-CG 3.28Å; L97-K101 WeakPolarHBondContact O-CG 3.47Å; L97-K101 PolarHBondContact O-N 2.87Å; L97-K101 VanDerWaalsContact O-N 3.07Å; T98-K101 PolarHBondContact O-N 2.84Å; E99-K101 VanDerWaalsContact C-N 3.28Å; E99-K101 PolarHBondContact O-N 3.31Å; K101-A105 PolarHBondContact O-N 2.87Å; K101-A105 VanDerWaalsContact O-N 3.13Å
102S72.9Confident78.1Confident4 Ų485.3 Ų85.33%0.02843%0.429CS..Hα-helixtrans-68.2-43.2178.370.70000112.2T98 E99 R104 A105 V106T98-S102 PolarHBondContact O-N 3.15Å; E99-S102 PolarHBondContact O-N 3.12Å; E99-S102 PolarHBondContact O-OG 3.36Å; S102-R104 VanDerWaalsContact C-N 3.33Å; S102-R104 PolarHBondContact O-N 3.45Å; S102-A105 PolarHBondContact O-N 2.96Å; S102-V106 WeakPolarHBondContact O-CG2 3.33Å; S102-V106 PolarHBondContact O-N 3.47Å; S102-V106 VanDerWaalsContact O-N 3.11Å
103E74.9Confident78Confident104 Ų10484 Ų8449%0.48642%0.422SS..Hα-helixtrans-60-44.2174.7-70.4179.5171.500111.1E99 A105 V106 V107E99-E103 PolarHBondContact O-N 3.4Å; E103-A105 VanDerWaalsContact C-N 3.35Å; E103-A105 PolarHBondContact O-N 3.38Å; E103-V106 PolarHBondContact O-N 2.96Å; E103-V107 WeakPolarHBondContact O-CG2 3.45Å; E103-V107 PolarHBondContact O-N 3.04Å
104R76.9Confident78.1Confident159 Ų15984 Ų8460%0.642%0.422SS*.Hα-helixtrans-58.8-45.9176.8-162.8-171.287.4-171.60.8112A100 S102 V106 V107 E108A100-R104 WeakPolarHBondContact O-CB 3.43Å; A100-R104 PolarHBondContact O-N 3.37Å; S102-R104 VanDerWaalsContact C-N 3.33Å; S102-R104 PolarHBondContact O-N 3.45Å; R104-V106 VanDerWaalsContact C-N 3.28Å; R104-V106 PolarHBondContact O-N 2.91Å; R104-V107 PolarHBondContact O-N 3.03Å; R104-E108 IonicContact CZ-OE1 2.77Å; R104-E108 IonicContact NE-OE1 3.54Å; R104-E108 PolarHBondContact NE-OE1 2.93Å; R104-E108 IonicContact NH2-OE1 2.89Å; R104-E108 WeakPolarHBondContact O-CB 3.17Å; R104-E108 VanDerWaalsContact O-CG 3.31Å; R104-E108 WeakPolarHBondContact O-CG 3.48Å; R104-E108 PolarHBondContact O-N 3.5Å
105A78.8Confident78.2Confident51 Ų5182.3 Ų82.342%0.42142%0.424SS..Hα-helixtrans-63-36-18000000112.3K101 S102 E103 K109K101-A105 PolarHBondContact O-N 2.87Å; K101-A105 VanDerWaalsContact O-N 3.13Å; S102-A105 PolarHBondContact O-N 2.96Å; E103-A105 VanDerWaalsContact C-N 3.35Å; E103-A105 PolarHBondContact O-N 3.38Å; A105-K109 PolarHBondContact O-N 3.47Å; A105-K109 VanDerWaalsContact O-N 3.11Å
106V80.4Confident78.3Confident20 Ų2084 Ų8412%0.12143%0.428CS..Hα-helixtrans-69.9-47.1177.3170.40000110.7S102 E103 R104 E108 K109 E110 L162 A165S102-V106 WeakPolarHBondContact O-CG2 3.33Å; S102-V106 PolarHBondContact O-N 3.47Å; S102-V106 VanDerWaalsContact O-N 3.11Å; E103-V106 PolarHBondContact O-N 2.96Å; R104-V106 VanDerWaalsContact C-N 3.28Å; R104-V106 PolarHBondContact O-N 2.91Å; V106-E108 VanDerWaalsContact C-N 3.29Å; V106-E108 PolarHBondContact O-N 3.16Å; V106-K109 WeakPolarHBondContact O-CB 3.41Å; V106-K109 PolarHBondContact O-N 3.03Å; V106-E110 HydrophobicContact CG1-CG 4.45Å; V106-E110 WeakPolarHBondContact CG1-OE1 2.95Å; V106-E110 WeakPolarHBondContact O-CG 3.33Å; V106-E110 PolarHBondContact O-N 2.92Å; V106-L162 HydrophobicContact CB-CD2 4.21Å; V106-L162 HydrophobicContact CB-CG 4.11Å; V106-L162 HydrophobicContact CG1-CD1 4.04Å; V106-L162 HydrophobicContact CG1-CD2 4.44Å; V106-L162 HydrophobicContact CG1-CG 3.84Å; V106-L162 HydrophobicContact CG2-CD2 3.69Å; V106-L162 HydrophobicContact CG2-CG 3.64Å; V106-A165 HydrophobicContact CG2-CB 4.39Å
107V74.9Confident78.3Confident83 Ų8383.9 Ų83.950%0.50343%0.427SS..Hα-helixtrans-60.6-40.8176.7173.80000110.9E103 R104 K109 E110 V111E103-V107 WeakPolarHBondContact O-CG2 3.45Å; E103-V107 PolarHBondContact O-N 3.04Å; R104-V107 PolarHBondContact O-N 3.03Å; V107-K109 VanDerWaalsContact C-N 3.3Å; V107-K109 PolarHBondContact O-N 3Å; V107-E110 PolarHBondContact O-N 2.95Å; V107-V111 HydrophobicContact CG1-CG2 4.48Å; V107-V111 VanDerWaalsContact O-CG2 3.3Å; V107-V111 WeakPolarHBondContact O-CG2 3.32Å; V107-V111 PolarHBondContact O-N 2.68Å
108E76.8Confident78.4Confident107 Ų10784.5 Ų84.550%0.543%0.43SS..Hα-helixtrans-58.5-41173.9-77.5171.3-167.900111.8R104 V106 H112R104-E108 IonicContact CZ-OE1 2.77Å; R104-E108 IonicContact NE-OE1 3.54Å; R104-E108 PolarHBondContact NE-OE1 2.93Å; R104-E108 IonicContact NH2-OE1 2.89Å; R104-E108 WeakPolarHBondContact O-CB 3.17Å; R104-E108 VanDerWaalsContact O-CG 3.31Å; R104-E108 WeakPolarHBondContact O-CG 3.48Å; R104-E108 PolarHBondContact O-N 3.5Å; V106-E108 VanDerWaalsContact C-N 3.29Å; V106-E108 PolarHBondContact O-N 3.16Å; E108-H112 PolarHBondContact O-N 3.27Å
109K80.5Confident78.3Confident129 Ų12988.2 Ų88.256%0.56145%0.445SS*.Hα-helixtrans-69.5-41.9176.8-169.2178.3179.1179.20112.4A105 V106 V107 V111 H112 D113A105-K109 PolarHBondContact O-N 3.47Å; A105-K109 VanDerWaalsContact O-N 3.11Å; V106-K109 WeakPolarHBondContact O-CB 3.41Å; V106-K109 PolarHBondContact O-N 3.03Å; V107-K109 VanDerWaalsContact C-N 3.3Å; V107-K109 PolarHBondContact O-N 3Å; K109-V111 VanDerWaalsContact C-N 3.33Å; K109-V111 PolarHBondContact O-N 3.5Å; K109-H112 WeakPolarHBondContact O-CB 3.4Å; K109-H112 PolarHBondContact O-N 3.1Å; K109-H112 VanDerWaalsContact O-N 3.11Å; K109-D113 PolarHBondContact O-N 3.1Å
110E79.2Confident78.3Confident54 Ų5487.6 Ų87.625%0.25245%0.448SS..Hα-helixtrans-61.6-42.1176.2-73.8178.3-167.500112V106 V107 H112 D113 L114 K158V106-E110 HydrophobicContact CG1-CG 4.45Å; V106-E110 WeakPolarHBondContact CG1-OE1 2.95Å; V106-E110 WeakPolarHBondContact O-CG 3.33Å; V106-E110 PolarHBondContact O-N 2.92Å; V107-E110 PolarHBondContact O-N 2.95Å; E110-H112 VanDerWaalsContact C-N 3.27Å; E110-H112 PolarHBondContact O-N 2.83Å; E110-D113 PolarHBondContact O-N 3.34Å; E110-L114 WeakPolarHBondContact O-CB 3.26Å; E110-L114 WeakPolarHBondContact O-CG 3.22Å; E110-L114 PolarHBondContact O-N 3.07Å; E110-K158 VanDerWaalsContact OE1-CD 3.24Å; E110-K158 WeakPolarHBondContact OE1-CD 3.49Å; E110-K158 WeakPolarHBondContact OE1-CE 3.48Å; E110-K158 IonicContact OE1-NZ 3.8Å; E110-K158 PolarHBondContact OE1-NZ 3.32Å; E110-K158 IonicContact OE2-NZ 2.75Å; E110-K158 PolarHBondContact OE2-NZ 3.37Å
111V80.1Confident78.5Confident84 Ų8490 Ų9051%0.50945%0.454SS..Hα-helixtrans-58.2-43.3173.5168.80000110.3V107 K109 L115V107-V111 HydrophobicContact CG1-CG2 4.48Å; V107-V111 VanDerWaalsContact O-CG2 3.3Å; V107-V111 WeakPolarHBondContact O-CG2 3.32Å; V107-V111 PolarHBondContact O-N 2.68Å; K109-V111 VanDerWaalsContact C-N 3.33Å; K109-V111 PolarHBondContact O-N 3.5Å; V111-L115 WeakPolarHBondContact O-CB 3.39Å; V111-L115 PolarHBondContact O-N 3.44Å
112H81.3Confident78.5Confident110 Ų11090.4 Ų90.451%0.50946%0.457SS..Hα-helixtrans-64.2-46.4177.8-169.375.2000112.6E108 K109 E110 L115 L116E108-H112 PolarHBondContact O-N 3.27Å; K109-H112 WeakPolarHBondContact O-CB 3.4Å; K109-H112 PolarHBondContact O-N 3.1Å; K109-H112 VanDerWaalsContact O-N 3.11Å; E110-H112 VanDerWaalsContact C-N 3.27Å; E110-H112 PolarHBondContact O-N 2.83Å; H112-L115 WeakPolarHBondContact O-CB 3.45Å; H112-L115 PolarHBondContact O-N 3.35Å; H112-L116 WeakPolarHBondContact O-CG 3.27Å; H112-L116 PolarHBondContact O-N 2.95Å
113D80.5Confident78.5Confident72 Ų7295.2 Ų95.239%0.38548%0.482SS..Hα-helixtrans-63.9-42.5-180-72.3-15000111.5K109 E110 L115 L116 Q117K109-D113 PolarHBondContact O-N 3.1Å; E110-D113 PolarHBondContact O-N 3.34Å; D113-L115 VanDerWaalsContact C-N 3.3Å; D113-L115 PolarHBondContact O-N 3.12Å; D113-L116 PolarHBondContact O-N 2.66Å; D113-Q117 WeakPolarHBondContact O-CG 3.05Å; D113-Q117 PolarHBondContact O-N 2.83Å
114L82.1Confident78.6Confident105 Ų10595.4 Ų95.455%0.5548%0.483SS..Hα-helixtrans-63-36.8174.6-73.7171.5000112.1E110 Q117 L118E110-L114 WeakPolarHBondContact O-CB 3.26Å; E110-L114 WeakPolarHBondContact O-CG 3.22Å; E110-L114 PolarHBondContact O-N 3.07Å; L114-Q117 PolarHBondContact O-N 3.08Å; L114-L118 WeakPolarHBondContact O-CB 3.39Å; L114-L118 PolarHBondContact O-N 3.25Å
115L82.8Confident78.2Confident109 Ų10993.2 Ų93.257%0.57148%0.483SS*.Hα-helixtrans-64.5-40.9175.9-132.1150.7000111.5V111 H112 D113 H119V111-L115 WeakPolarHBondContact O-CB 3.39Å; V111-L115 PolarHBondContact O-N 3.44Å; H112-L115 WeakPolarHBondContact O-CB 3.45Å; H112-L115 PolarHBondContact O-N 3.35Å; D113-L115 VanDerWaalsContact C-N 3.3Å; D113-L115 PolarHBondContact O-N 3.12Å; L115-H119 WeakPolarHBondContact O-CB 3.47Å; L115-H119 PolarHBondContact O-N 2.96Å
116L81.8Confident77.5Confident94 Ų9494.5 Ų94.549%0.49249%0.488SS..Hα-helixtrans-66.7-43174.9-69.9172.1000112H112 D113 H119 S120H112-L116 WeakPolarHBondContact O-CG 3.27Å; H112-L116 PolarHBondContact O-N 2.95Å; D113-L116 PolarHBondContact O-N 2.66Å; L116-H119 PolarHBondContact O-N 3.16Å; L116-S120 WeakPolarHBondContact O-CB 3.39Å; L116-S120 PolarHBondContact O-N 2.79Å
117Q83.3Confident76.8Confident117 Ų11797.2 Ų97.255%0.54751%0.513SS..Hα-helixtrans-61.9-45176-73.2178.98.400111.6D113 L114 H119 S120 L121D113-Q117 WeakPolarHBondContact O-CG 3.05Å; D113-Q117 PolarHBondContact O-N 2.83Å; L114-Q117 PolarHBondContact O-N 3.08Å; Q117-H119 VanDerWaalsContact C-N 3.33Å; Q117-H119 PolarHBondContact O-N 3.23Å; Q117-S120 PolarHBondContact O-N 3.43Å; Q117-L121 WeakPolarHBondContact O-CB 3.38Å; Q117-L121 WeakPolarHBondContact O-CG 3.27Å; Q117-L121 PolarHBondContact O-N 3.46Å
118L78.4Confident76.2Confident109 Ų10999.5 Ų99.557%0.57152%0.516SS*.Hα-helixtrans-56.7-48.4174.9-176.965.9000110.9L114 S120 L121 Q122L114-L118 WeakPolarHBondContact O-CB 3.39Å; L114-L118 PolarHBondContact O-N 3.25Å; L118-S120 PolarHBondContact O-N 3Å; L118-L121 PolarHBondContact O-N 3.26Å; L118-Q122 WeakPolarHBondContact O-CB 3.43Å; L118-Q122 PolarHBondContact O-N 3.44Å
119H76.4Confident75.2Confident108 Ų108102 Ų10250%0.553%0.528SS..Hα-helixtrans-64.2-41.3-179.7-169.7-153.9000112.2L115 L116 Q117 Q122 L123L115-H119 WeakPolarHBondContact O-CB 3.47Å; L115-H119 PolarHBondContact O-N 2.96Å; L116-H119 PolarHBondContact O-N 3.16Å; Q117-H119 VanDerWaalsContact C-N 3.33Å; Q117-H119 PolarHBondContact O-N 3.23Å; H119-Q122 PolarHBondContact O-N 3.47Å; H119-L123 VanDerWaalsContact O-CG 3.31Å; H119-L123 WeakPolarHBondContact O-CG 3.48Å; H119-L123 PolarHBondContact O-N 3.3Å
120S76.9Confident73.8Confident57 Ų5799 Ų9940%0.39953%0.534SS..Hα-helixtrans-60.5-48.1174.4179.30000112L116 Q117 L118 Q122 L123 Q124L116-S120 WeakPolarHBondContact O-CB 3.39Å; L116-S120 PolarHBondContact O-N 2.79Å; Q117-S120 PolarHBondContact O-N 3.43Å; L118-S120 PolarHBondContact O-N 3Å; S120-Q122 VanDerWaalsContact C-N 3.31Å; S120-Q122 PolarHBondContact O-N 2.86Å; S120-L123 PolarHBondContact O-N 2.91Å; S120-Q124 WeakPolarHBondContact O-CG 3.32Å; S120-Q124 PolarHBondContact O-N 3.33Å
121L75.1Confident72.6Confident104 Ų104104 Ų10455%0.54556%0.557SS.*Hα-helixtrans-61.1-41.5176.4-76170.6000111.4Q117 L118 L123 Q124 L125Q117-L121 WeakPolarHBondContact O-CB 3.38Å; Q117-L121 WeakPolarHBondContact O-CG 3.27Å; Q117-L121 PolarHBondContact O-N 3.46Å; L118-L121 PolarHBondContact O-N 3.26Å; L121-L123 VanDerWaalsContact C-N 3.35Å; L121-L123 PolarHBondContact O-N 3.3Å; L121-Q124 PolarHBondContact O-N 2.93Å; L121-L125 WeakPolarHBondContact O-CB 3.13Å; L121-L125 PolarHBondContact O-N 3.44Å
122Q73.8Confident71.2Confident119 Ų119107 Ų10756%0.55658%0.575SS**Hα-helixtrans-62.2-43.1178-150.4167.52.700111.2L118 H119 S120 L125 S126L118-Q122 WeakPolarHBondContact O-CB 3.43Å; L118-Q122 PolarHBondContact O-N 3.44Å; H119-Q122 PolarHBondContact O-N 3.47Å; S120-Q122 VanDerWaalsContact C-N 3.31Å; S120-Q122 PolarHBondContact O-N 2.86Å; Q122-L125 PolarHBondContact O-N 3.28Å; Q122-S126 WeakPolarHBondContact O-CB 3.48Å; Q122-S126 PolarHBondContact O-N 2.87Å; Q122-S126 PolarHBondContact O-OG 3.16Å; Q122-S126 VanDerWaalsContact O-OG 3.1Å
123L73.4Confident69.9Low105 Ų105109.4 Ų109.455%0.5559%0.586SS.*Hα-helixtrans-63.3-42.4173.2-70.8168.1000112.3H119 S120 L121 S126 A127H119-L123 VanDerWaalsContact O-CG 3.31Å; H119-L123 WeakPolarHBondContact O-CG 3.48Å; H119-L123 PolarHBondContact O-N 3.3Å; S120-L123 PolarHBondContact O-N 2.91Å; L121-L123 VanDerWaalsContact C-N 3.35Å; L121-L123 PolarHBondContact O-N 3.3Å; L123-S126 PolarHBondContact O-N 2.91Å; L123-A127 WeakPolarHBondContact O-CB 3.24Å; L123-A127 PolarHBondContact O-N 2.96Å
124Q76.4Confident68.5Low107 Ų107111.7 Ų111.750%0.560%0.599SS.*Hα-helixtrans-64.7-39.5176-73.6-179.6-6.100112.3S120 L121 A127 K128S120-Q124 WeakPolarHBondContact O-CG 3.32Å; S120-Q124 PolarHBondContact O-N 3.33Å; L121-Q124 PolarHBondContact O-N 2.93Å; Q124-A127 PolarHBondContact O-N 3.25Å; Q124-K128 WeakPolarHBondContact O-CB 3.41Å; Q124-K128 WeakPolarHBondContact O-CG 3.38Å; Q124-K128 PolarHBondContact O-N 2.86Å
125L69.6Low67.2Low114 Ų114110 Ų11060%0.59760%0.596SS**Hα-helixtrans-68-41.6177.9-135.6158.9000110.7L121 Q122 A127 K128 Q129L121-L125 WeakPolarHBondContact O-CB 3.13Å; L121-L125 PolarHBondContact O-N 3.44Å; Q122-L125 PolarHBondContact O-N 3.28Å; L125-A127 VanDerWaalsContact C-N 3.32Å; L125-A127 PolarHBondContact O-N 3.42Å; L125-K128 PolarHBondContact O-N 2.98Å; L125-Q129 PolarHBondContact O-N 2.95Å
126S64.2Low65.8Low77 Ų77110 Ų11054%0.53860%0.596SS.*Hα-helixtrans-62.7-36.2170.9-640000112.6Q122 L123Q122-S126 WeakPolarHBondContact O-CB 3.48Å; Q122-S126 PolarHBondContact O-N 2.87Å; Q122-S126 PolarHBondContact O-OG 3.16Å; Q122-S126 VanDerWaalsContact O-OG 3.1Å; L123-S126 PolarHBondContact O-N 2.91Å
127A64.9Low64.7Low77 Ų77110.9 Ų110.964%0.63660%0.6SS**Hα-helixtrans-70.3-37.8174.200000112.4L123 Q124 L125 G130L123-A127 WeakPolarHBondContact O-CB 3.24Å; L123-A127 PolarHBondContact O-N 2.96Å; Q124-A127 PolarHBondContact O-N 3.25Å; L125-A127 VanDerWaalsContact C-N 3.32Å; L125-A127 PolarHBondContact O-N 3.42Å; A127-G130 PolarHBondContact O-N 2.87Å
128K63Low63.4Low131 Ų131109.1 Ų109.157%0.5759%0.594SS**Hα-helixtrans-78.5-15.5178.8-76.2-164.8176.8-167.10114.7Q124 L125 G130 Q131Q124-K128 WeakPolarHBondContact O-CB 3.41Å; Q124-K128 WeakPolarHBondContact O-CG 3.38Å; Q124-K128 PolarHBondContact O-N 2.86Å; L125-K128 PolarHBondContact O-N 2.98Å; K128-G130 PolarHBondContact O-N 3.32Å; K128-Q131 PolarHBondContact O-N 3.32Å
129Q54.6Low62.3Low160 Ų160110.4 Ų110.475%0.74860%0.595SS**THydrogen-bonded Turntrans-59.4-2.8166.9-87.5174.2-25.900113.4L125L125-Q129 PolarHBondContact O-N 2.95Å
130G52.6Low61.3Low66 Ų66111.6 Ų111.668%0.6861%0.605SS**THydrogen-bonded Turntrans-105.4-3167.100000117.6A127 K128A127-G130 PolarHBondContact O-N 2.87Å; K128-G130 PolarHBondContact O-N 3.32Å
131Q54.2Low60.4Low159 Ų159119.2 Ų119.274%0.74363%0.625SS**  trans-142.3129.6-179.5-78.6-169.5-26.700114.2K128K128-Q131 PolarHBondContact O-N 3.32Å
132V49.1Very low59.2Low146 Ų146118.8 Ų118.889%0.88562%0.622SS**  trans-88108.2175.8-178.90000108.6
133E54.7Low58.4Low161 Ų161118.6 Ų118.675%0.75263%0.625SS**  trans-129.5140.4161.3-74.1-158.8161.200110.4
134D51.6Low57.4Low120 Ų120117.1 Ų117.164%0.64263%0.628SS**  trans-67125.4-168.8-90.4-35.8000113.5D136D134-D136 PolarHBondContact O-N 2.86Å; D134-D136 VanDerWaalsContact O-N 3.12Å
135S53.7Low56.1Low70 Ų70116.6 Ų116.649%0.4963%0.632SS.*Hα-helixtrans-60.6-19.8-177.9179.60000114.5
136D53.7Low55.6Low109 Ų109113.3 Ų113.358%0.58362%0.618SS**Hα-helixtrans-84.9-28.9-171-66.8-28.5000112.5D134 I138 K139 D140D134-D136 PolarHBondContact O-N 2.86Å; D134-D136 VanDerWaalsContact O-N 3.12Å; D136-I138 VanDerWaalsContact C-N 3.32Å; D136-I138 PolarHBondContact O-N 3.37Å; D136-K139 PolarHBondContact O-N 3.01Å; D136-D140 PolarHBondContact O-N 3.48Å
137I58.4Low55.3Low112 Ų112113.3 Ų113.357%0.57461%0.612SS**Hα-helixtrans-72.3-30.2177.2-58.2173.5000111.4
138I57.1Low55.2Low81 Ų81116 Ų11642%0.41561%0.612SS.*Hα-helixtrans-73.8-37.5177.5-60.7174.1000110.4D136 L142D136-I138 VanDerWaalsContact C-N 3.32Å; D136-I138 PolarHBondContact O-N 3.37Å; I138-L142 HydrophobicContact CG2-CD1 4.39Å
139K54.2Low55.5Low135 Ų135116 Ų11659%0.58761%0.614SS**Hα-helixtrans-66.9-41.8177.3-82.9177.4177.9167.80112.8D136 R141 L142D136-K139 PolarHBondContact O-N 3.01Å; K139-R141 PolarHBondContact O-N 2.85Å; K139-L142 PolarHBondContact O-N 2.94Å; K139-L142 VanDerWaalsContact O-N 3.12Å
140D55.7Low55.8Low133 Ų133113.6 Ų113.671%0.71160%0.603SS**Hα-helixtrans-67.8-21.3-178.8-88.6-6.2000113.9D136D136-D140 PolarHBondContact O-N 3.48Å
141R57.7Low56.6Low218 Ų218116.3 Ų116.382%0.82360%0.598SS**Hα-helixtrans-82.4-18.4173.5-75-170.1-179.8-175.82.4113.9K139 L143K139-R141 PolarHBondContact O-N 2.85Å; R141-L143 PolarHBondContact O-N 3.42Å
142L50.3Low57.4Low94 Ų94115.9 Ų115.949%0.49260%0.596SS.*SBendtrans-10068.5179.2-85.1153.9000109.2I138 K139 L147I138-L142 HydrophobicContact CG2-CD1 4.39Å; K139-L142 PolarHBondContact O-N 2.94Å; K139-L142 VanDerWaalsContact O-N 3.12Å; L142-L147 HydrophobicContact CD2-CD1 4.14Å
143L56.8Low58.5Low115 Ų115116.1 Ų116.160%0.60259%0.588SS**  trans-67138173.8-73170.5000110.5R141 T145 S146R141-L143 PolarHBondContact O-N 3.42Å; L143-T145 PolarHBondContact O-N 3.22Å; L143-T145 VanDerWaalsContact O-N 3.11Å; L143-S146 PolarHBondContact O-N 2.92Å; L143-S146 PolarHBondContact O-OG 2.71Å
144A53.3Low59.1Low74 Ų74114.1 Ų114.161%0.61258%0.582SS**Hα-helixtrans-55.2-28.8-172.600000115.1S146 L147 E148A144-S146 VanDerWaalsContact C-N 3.35Å; A144-S146 PolarHBondContact O-N 3.46Å; A144-L147 PolarHBondContact O-N 2.66Å; A144-E148 PolarHBondContact O-N 3.37Å
145T49.7Very low60.1Low96 Ų96114.1 Ų114.159%0.58958%0.578SS**Hα-helixtrans-64.6-34.8175.224.50000113.2L143 L147 E149L143-T145 PolarHBondContact O-N 3.22Å; L143-T145 VanDerWaalsContact O-N 3.11Å; T145-L147 VanDerWaalsContact C-N 3.28Å; T145-L147 PolarHBondContact O-N 3.26Å; T145-E149 WeakPolarHBondContact O-CG 3.33Å; T145-E149 PolarHBondContact O-N 3.36Å
146S58.1Low61.1Low45 Ų45113.5 Ų113.532%0.31558%0.577SS.*Hα-helixtrans-74.6-20.6176.271.40000113.1L143 A144 M150L143-S146 PolarHBondContact O-N 2.92Å; L143-S146 PolarHBondContact O-OG 2.71Å; A144-S146 VanDerWaalsContact C-N 3.35Å; A144-S146 PolarHBondContact O-N 3.46Å; S146-M150 WeakPolarHBondContact O-CB 3.48Å; S146-M150 PolarHBondContact O-N 3.12Å; S146-M150 VanDerWaalsContact O-N 3.15Å
147L58.2Low61.7Low78 Ų78110.4 Ų110.441%0.40856%0.564SS.*Hα-helixtrans-84.9-41.5-175.9-143.6132.2000110.7L142 A144 T145 M150 E151L142-L147 HydrophobicContact CD2-CD1 4.14Å; A144-L147 PolarHBondContact O-N 2.66Å; T145-L147 VanDerWaalsContact C-N 3.28Å; T145-L147 PolarHBondContact O-N 3.26Å; L147-M150 PolarHBondContact O-N 3.06Å; L147-E151 WeakPolarHBondContact O-CB 3.28Å; L147-E151 WeakPolarHBondContact O-CG 3.42Å; L147-E151 PolarHBondContact O-N 2.72Å
148E63.1Low62.4Low133 Ų133108.4 Ų108.462%0.62155%0.551SS**Hα-helixtrans-64.9-40.8171.6-74.4-178.8165.200112.3A144 E151 Q152A144-E148 PolarHBondContact O-N 3.37Å; E148-E151 PolarHBondContact O-N 3.04Å; E148-Q152 PolarHBondContact O-N 3.3Å
149E68.3Low63.2Low132 Ų132111.9 Ų111.962%0.61756%0.563SS**Hα-helixtrans-63.9-43.2175.1-74.8175.3172.200111.3T145 Q152 E153T145-E149 WeakPolarHBondContact O-CG 3.33Å; T145-E149 PolarHBondContact O-N 3.36Å; E149-Q152 PolarHBondContact O-N 3.34Å; E149-E153 PolarHBondContact O-N 2.96Å
150M61.8Low64.1Low108 Ų108111.9 Ų111.953%0.53257%0.566SS.*Hα-helixtrans-67.8-37.4177.3-169.2-172.9-46.300112.4S146 L147 E153 L154S146-M150 WeakPolarHBondContact O-CB 3.48Å; S146-M150 PolarHBondContact O-N 3.12Å; S146-M150 VanDerWaalsContact O-N 3.15Å; L147-M150 PolarHBondContact O-N 3.06Å; M150-E153 PolarHBondContact O-N 3.01Å; M150-L154 VanDerWaalsContact O-CB 3.27Å; M150-L154 WeakPolarHBondContact O-CB 3.31Å; M150-L154 PolarHBondContact O-N 2.8Å
151E68.4Low64.9Low123 Ų123111.1 Ų111.158%0.57556%0.556SS**Hα-helixtrans-64.8-42.3173.2-83.8-177.3163.300111.8L147 E148 L154 E155L147-E151 WeakPolarHBondContact O-CB 3.28Å; L147-E151 WeakPolarHBondContact O-CG 3.42Å; L147-E151 PolarHBondContact O-N 2.72Å; E148-E151 PolarHBondContact O-N 3.04Å; E151-L154 PolarHBondContact O-N 2.96Å; E151-E155 WeakPolarHBondContact O-CB 3.21Å; E151-E155 PolarHBondContact O-N 3.4Å
152Q72.6Confident65.6Low150 Ų150103.1 Ų103.170%0.70153%0.529SS*.Hα-helixtrans-63.7-41.6174.6-87.6-173.1-7.700112.7E148 E149 L154 E155 A156E148-Q152 PolarHBondContact O-N 3.3Å; E149-Q152 PolarHBondContact O-N 3.34Å; Q152-L154 VanDerWaalsContact C-N 3.31Å; Q152-E155 PolarHBondContact O-N 2.98Å; Q152-A156 WeakPolarHBondContact O-CB 3.42Å; Q152-A156 PolarHBondContact O-N 3.04Å
153E70.4Confident66.6Low151 Ų151102.2 Ų102.271%0.70653%0.527SS*.Hα-helixtrans-65.1-37.2176.7-123.1176.2-178.100111.7E149 M150 A156 S157E149-E153 PolarHBondContact O-N 2.96Å; M150-E153 PolarHBondContact O-N 3.01Å; E153-A156 PolarHBondContact O-N 3.43Å; E153-S157 WeakPolarHBondContact O-CB 3.27Å; E153-S157 PolarHBondContact O-N 3.35Å
154L68.4Low67.2Low119 Ų119102.1 Ų102.162%0.62352%0.524SS*.Hα-helixtrans-71.2-40.9178.1-162.3130.7000112M150 E151 Q152 S157 K158M150-L154 VanDerWaalsContact O-CB 3.27Å; M150-L154 WeakPolarHBondContact O-CB 3.31Å; M150-L154 PolarHBondContact O-N 2.8Å; E151-L154 PolarHBondContact O-N 2.96Å; Q152-L154 VanDerWaalsContact C-N 3.31Å; L154-S157 PolarHBondContact O-N 3.44Å; L154-K158 WeakPolarHBondContact O-CB 3.5Å; L154-K158 PolarHBondContact O-N 2.92Å
155E72.5Confident68.2Low120 Ų120100.2 Ų100.256%0.56151%0.508SS*.Hα-helixtrans-62.5-43.2171.3-87-74.514700112E151 Q152 K158 K159E151-E155 WeakPolarHBondContact O-CB 3.21Å; E151-E155 PolarHBondContact O-N 3.4Å; Q152-E155 PolarHBondContact O-N 2.98Å; E155-K158 PolarHBondContact O-N 2.8Å; E155-K159 WeakPolarHBondContact O-CB 3.45Å; E155-K159 PolarHBondContact O-N 2.79Å
156A73.7Confident69.3Low58 Ų5899.2 Ų99.248%0.47949%0.494SS..Hα-helixtrans-63.8-4617600000111.8Q152 E153 K158 K159 E160Q152-A156 WeakPolarHBondContact O-CB 3.42Å; Q152-A156 PolarHBondContact O-N 3.04Å; E153-A156 PolarHBondContact O-N 3.43Å; A156-K158 VanDerWaalsContact C-N 3.32Å; A156-K158 PolarHBondContact O-N 2.81Å; A156-K159 PolarHBondContact O-N 2.87Å; A156-E160 PolarHBondContact O-N 2.93Å
157S67.7Low69.9Low43 Ų43102.1 Ų102.130%0.30151%0.505SS..Hα-helixtrans-63.7-37.1176.1-173.50000112.3E153 L154 K161E153-S157 WeakPolarHBondContact O-CB 3.27Å; E153-S157 PolarHBondContact O-N 3.35Å; L154-S157 PolarHBondContact O-N 3.44Å; S157-K161 WeakPolarHBondContact O-CB 3.14Å; S157-K161 VanDerWaalsContact O-CG 3.31Å; S157-K161 WeakPolarHBondContact O-CG 3.4Å; S157-K161 PolarHBondContact O-N 3.47Å; S157-K161 PolarHBondContact OG-NZ 2.77Å
158K71.7Confident70.6Confident71 Ų71102.6 Ų102.631%0.30951%0.505SS..Hα-helixtrans-63.7-45.7174.6173.8170.4159.1156.90111.1E110 L154 E155 A156 E160 K161 L162E110-K158 VanDerWaalsContact OE1-CD 3.24Å; E110-K158 WeakPolarHBondContact OE1-CD 3.49Å; E110-K158 WeakPolarHBondContact OE1-CE 3.48Å; E110-K158 IonicContact OE1-NZ 3.8Å; E110-K158 PolarHBondContact OE1-NZ 3.32Å; E110-K158 IonicContact OE2-NZ 2.75Å; E110-K158 PolarHBondContact OE2-NZ 3.37Å; L154-K158 WeakPolarHBondContact O-CB 3.5Å; L154-K158 PolarHBondContact O-N 2.92Å; E155-K158 PolarHBondContact O-N 2.8Å; A156-K158 VanDerWaalsContact C-N 3.32Å; A156-K158 PolarHBondContact O-N 2.81Å; K158-E160 PolarHBondContact O-N 2.71Å; K158-K161 PolarHBondContact O-N 3.18Å; K158-L162 WeakPolarHBondContact O-CB 3.46Å; K158-L162 PolarHBondContact O-N 3.05Å
159K74.1Confident71Confident153 Ų15398.3 Ų98.367%0.66549%0.492SS*.Hα-helixtrans-61.9-42177.5-168.1175.4-177.4177.20112.2E155 A156 L162 T163E155-K159 WeakPolarHBondContact O-CB 3.45Å; E155-K159 PolarHBondContact O-N 2.79Å; A156-K159 PolarHBondContact O-N 2.87Å; K159-L162 WeakPolarHBondContact O-CB 3.27Å; K159-L162 PolarHBondContact O-N 2.81Å; K159-T163 WeakPolarHBondContact O-CG2 3.44Å; K159-T163 PolarHBondContact O-N 3.04Å; K159-T163 VanDerWaalsContact O-N 3.1Å; K159-T163 PolarHBondContact O-OG1 3.42Å
160E73.2Confident71.2Confident136 Ų13695.2 Ų95.264%0.63648%0.478SS*.Hα-helixtrans-63.5-48.5177.1-169.4175.4-166.700111.6A156 K158 L162 T163 E164A156-E160 PolarHBondContact O-N 2.93Å; K158-E160 PolarHBondContact O-N 2.71Å; E160-L162 VanDerWaalsContact C-N 3.26Å; E160-L162 PolarHBondContact O-N 2.83Å; E160-T163 PolarHBondContact O-N 2.92Å; E160-T163 VanDerWaalsContact O-N 3.12Å; E160-T163 PolarHBondContact O-OG1 3.08Å; E160-E164 PolarHBondContact O-N 2.91Å
161K72.6Confident71.8Confident117 Ų11793.5 Ų93.551%0.50947%0.474SS..Hα-helixtrans-61.3-33.5175.9-72.6169.2-177.2162.60113S157 K158 A165S157-K161 WeakPolarHBondContact O-CB 3.14Å; S157-K161 VanDerWaalsContact O-CG 3.31Å; S157-K161 WeakPolarHBondContact O-CG 3.4Å; S157-K161 PolarHBondContact O-N 3.47Å; S157-K161 PolarHBondContact OG-NZ 2.77Å; K158-K161 PolarHBondContact O-N 3.18Å; K161-A165 WeakPolarHBondContact O-CB 3.48Å; K161-A165 PolarHBondContact O-N 2.85Å
162L72.7Confident72.1Confident49 Ų4995.6 Ų95.626%0.25748%0.476SS..Hα-helixtrans-62.4-48173.9-119.2156.8000111.4V106 K158 K159 E160 A165 R166V106-L162 HydrophobicContact CB-CD2 4.21Å; V106-L162 HydrophobicContact CB-CG 4.11Å; V106-L162 HydrophobicContact CG1-CD1 4.04Å; V106-L162 HydrophobicContact CG1-CD2 4.44Å; V106-L162 HydrophobicContact CG1-CG 3.84Å; V106-L162 HydrophobicContact CG2-CD2 3.69Å; V106-L162 HydrophobicContact CG2-CG 3.64Å; K158-L162 WeakPolarHBondContact O-CB 3.46Å; K158-L162 PolarHBondContact O-N 3.05Å; K159-L162 WeakPolarHBondContact O-CB 3.27Å; K159-L162 PolarHBondContact O-N 2.81Å; E160-L162 VanDerWaalsContact C-N 3.26Å; E160-L162 PolarHBondContact O-N 2.83Å; L162-A165 PolarHBondContact O-N 3.33Å; L162-R166 WeakPolarHBondContact O-CB 3.45Å; L162-R166 PolarHBondContact O-N 2.96Å
163T70.8Confident72.3Confident75 Ų7591.5 Ų91.546%0.4646%0.459SS..Hα-helixtrans-64.9-40.4178.856.70000111.9K159 E160 R166 L167K159-T163 WeakPolarHBondContact O-CG2 3.44Å; K159-T163 PolarHBondContact O-N 3.04Å; K159-T163 VanDerWaalsContact O-N 3.1Å; K159-T163 PolarHBondContact O-OG1 3.42Å; E160-T163 PolarHBondContact O-N 2.92Å; E160-T163 VanDerWaalsContact O-N 3.12Å; E160-T163 PolarHBondContact O-OG1 3.08Å; T163-R166 PolarHBondContact O-N 3.31Å; T163-L167 WeakPolarHBondContact O-CB 3.45Å; T163-L167 VanDerWaalsContact O-CG 3.29Å; T163-L167 WeakPolarHBondContact O-CG 3.28Å; T163-L167 PolarHBondContact O-N 3.41Å
164E70.9Confident72.5Confident113 Ų11389.8 Ų89.853%0.52845%0.449SS..Hα-helixtrans-63-48.4176.4-172.4177.8-16300111.5E160 R166 L167 E168E160-E164 PolarHBondContact O-N 2.91Å; E164-R166 VanDerWaalsContact C-N 3.33Å; E164-R166 PolarHBondContact O-N 3.04Å; E164-L167 PolarHBondContact O-N 2.87Å; E164-E168 WeakPolarHBondContact O-CG 3.46Å; E164-E168 PolarHBondContact O-N 3.22Å
165A72.4Confident72.8Confident34 Ų3490.7 Ų90.728%0.28145%0.448SS..Hα-helixtrans-63.1-37.3178.500000112.9V106 K161 L162 A169V106-A165 HydrophobicContact CG2-CB 4.39Å; K161-A165 WeakPolarHBondContact O-CB 3.48Å; K161-A165 PolarHBondContact O-N 2.85Å; L162-A165 PolarHBondContact O-N 3.33Å; A165-A169 WeakPolarHBondContact O-CB 3.48Å; A165-A169 PolarHBondContact O-N 3.48Å; A165-A169 VanDerWaalsContact O-N 3.07Å
166R73.8Confident72.8Confident75 Ų7592.3 Ų92.328%0.28345%0.453SS..Hα-helixtrans-64.5-49175.3-175.5176.2177.8166.35111.3E99 L162 T163 E164 E168 A169 E170E99-R166 VanDerWaalsContact CD-CZ 3.41Å; E99-R166 IonicContact OE1-CZ 2.84Å; E99-R166 IonicContact OE1-NH1 3.21Å; E99-R166 PolarHBondContact OE1-NH1 3.06Å; E99-R166 IonicContact OE1-NH2 3.97Å; E99-R166 IonicContact OE2-CZ 3.56Å; E99-R166 IonicContact OE2-NH1 2.82Å; E99-R166 IonicContact OE2-NH2 2.83Å; E99-R166 PolarHBondContact OE2-NH2 3.21Å; L162-R166 WeakPolarHBondContact O-CB 3.45Å; L162-R166 PolarHBondContact O-N 2.96Å; T163-R166 PolarHBondContact O-N 3.31Å; E164-R166 VanDerWaalsContact C-N 3.33Å; E164-R166 PolarHBondContact O-N 3.04Å; R166-E168 PolarHBondContact O-N 3.34Å; R166-A169 PolarHBondContact O-N 2.92Å; R166-E170 PolarHBondContact O-N 3.42Å
167L71.4Confident72.8Confident106 Ų10693 Ų9356%0.55545%0.447SS*.Hα-helixtrans-62.6-41.1178.2-72.2170.4000111.7T163 E164 A169 E170 V171T163-L167 WeakPolarHBondContact O-CB 3.45Å; T163-L167 VanDerWaalsContact O-CG 3.29Å; T163-L167 WeakPolarHBondContact O-CG 3.28Å; T163-L167 PolarHBondContact O-N 3.41Å; E164-L167 PolarHBondContact O-N 2.87Å; L167-A169 PolarHBondContact O-N 2.95Å; L167-E170 PolarHBondContact O-N 3.4Å; L167-V171 WeakPolarHBondContact O-CB 3.17Å; L167-V171 VanDerWaalsContact O-CG2 3.26Å; L167-V171 WeakPolarHBondContact O-CG2 3.36Å; L167-V171 PolarHBondContact O-N 3.1Å
168E72.8Confident73Confident88 Ų8894.9 Ų94.941%0.41145%0.453SS..Hα-helixtrans-62.1-41.6175.7-78.7-167.2179.300112.8E164 R166 R172E164-E168 WeakPolarHBondContact O-CG 3.46Å; E164-E168 PolarHBondContact O-N 3.22Å; R166-E168 PolarHBondContact O-N 3.34Å; E168-R172 VanDerWaalsContact O-CG 3.29Å; E168-R172 WeakPolarHBondContact O-CG 3.05Å; E168-R172 PolarHBondContact O-N 3.42Å; E168-R172 IonicContact OE2-CZ 2.81Å; E168-R172 IonicContact OE2-NH2 2.87Å; E168-R172 PolarHBondContact OE2-NH2 2.93Å
169A70.4Confident73Confident43 Ų4397 Ų9736%0.35547%0.465SS..Hα-helixtrans-65.2-42.3178.200000111.5A165 R166 L167 R172 L173A165-A169 WeakPolarHBondContact O-CB 3.48Å; A165-A169 PolarHBondContact O-N 3.48Å; A165-A169 VanDerWaalsContact O-N 3.07Å; R166-A169 PolarHBondContact O-N 2.92Å; L167-A169 PolarHBondContact O-N 2.95Å; A169-R172 PolarHBondContact O-N 2.94Å; A169-L173 PolarHBondContact O-N 2.94Å
170E73.9Confident72.8Confident68 Ų6891.8 Ų91.832%0.31845%0.449SS..Hα-helixtrans-64.8-45.1177.8-170.7173-170.900111.6R166 L167 R172 L173 F174R166-E170 PolarHBondContact O-N 3.42Å; L167-E170 PolarHBondContact O-N 3.4Å; E170-R172 VanDerWaalsContact C-N 3.34Å; E170-R172 PolarHBondContact O-N 3.5Å; E170-L173 PolarHBondContact O-N 3.41Å; E170-L173 VanDerWaalsContact O-N 3.16Å; E170-F174 HydrophobicContact CG-CD2 3.83Å; E170-F174 HydrophobicContact CG-CE2 3.39Å; E170-F174 HydrophobicContact CG-CZ 4.08Å; E170-F174 WeakPolarHBondContact O-CD2 3.3Å; E170-F174 PolarHBondContact O-N 2.74Å; E170-F174 WeakPolarHBondContact OE1-CE2 3.49Å
171V73.8Confident72.8Confident72 Ų7290.4 Ų90.444%0.43645%0.446SS..Hα-helixtrans-60.6-41.3175169.10000111.7L167 L173 K175L167-V171 WeakPolarHBondContact O-CB 3.17Å; L167-V171 VanDerWaalsContact O-CG2 3.26Å; L167-V171 WeakPolarHBondContact O-CG2 3.36Å; L167-V171 PolarHBondContact O-N 3.1Å; V171-L173 VanDerWaalsContact C-N 3.33Å; V171-L173 PolarHBondContact O-N 3.09Å; V171-K175 HydrophobicContact CG1-CD 4.06Å; V171-K175 HydrophobicContact CG1-CG 4.45Å; V171-K175 WeakPolarHBondContact O-CB 3.5Å; V171-K175 VanDerWaalsContact O-CG 3.27Å; V171-K175 WeakPolarHBondContact O-CG 3.25Å; V171-K175 PolarHBondContact O-N 3.29Å
172R74.8Confident72.8Confident166 Ų16693 Ų9363%0.62645%0.453SS*.Hα-helixtrans-63.9-39.4176.4-74.5178.8-140.5175.75.6111.8E168 A169 E170 K176E168-R172 VanDerWaalsContact O-CG 3.29Å; E168-R172 WeakPolarHBondContact O-CG 3.05Å; E168-R172 PolarHBondContact O-N 3.42Å; E168-R172 IonicContact OE2-CZ 2.81Å; E168-R172 IonicContact OE2-NH2 2.87Å; E168-R172 PolarHBondContact OE2-NH2 2.93Å; A169-R172 PolarHBondContact O-N 2.94Å; E170-R172 VanDerWaalsContact C-N 3.34Å; E170-R172 PolarHBondContact O-N 3.5Å; R172-K176 PolarHBondContact O-N 3.46Å; R172-K176 VanDerWaalsContact O-N 3.12Å
173L75.8Confident72.5Confident64 Ų6498 Ų9834%0.33547%0.468SS..Hα-helixtrans-67.4-49.7179.4-157.4158.6000110.6T98 A169 E170 V171 K175 K176 E177T98-L173 HydrophobicContact CG2-CD1 4.06Å; A169-L173 PolarHBondContact O-N 2.94Å; E170-L173 PolarHBondContact O-N 3.41Å; E170-L173 VanDerWaalsContact O-N 3.16Å; V171-L173 VanDerWaalsContact C-N 3.33Å; V171-L173 PolarHBondContact O-N 3.09Å; L173-K175 VanDerWaalsContact C-N 3.32Å; L173-K175 PolarHBondContact O-N 3.49Å; L173-K176 PolarHBondContact O-N 3.22Å; L173-K176 VanDerWaalsContact O-N 3.15Å; L173-E177 HydrophobicContact CD2-CG 3.98Å; L173-E177 WeakPolarHBondContact CD2-OE1 3.37Å; L173-E177 PolarHBondContact O-N 2.85Å
174F74.8Confident72.4Confident115 Ų11599.7 Ų99.750%0.50447%0.47SS..Hα-helixtrans-61.7-37.4176.9-71.9-40.2000112.9E170 E177 N178E170-F174 HydrophobicContact CG-CD2 3.83Å; E170-F174 HydrophobicContact CG-CE2 3.39Å; E170-F174 HydrophobicContact CG-CZ 4.08Å; E170-F174 WeakPolarHBondContact O-CD2 3.3Å; E170-F174 PolarHBondContact O-N 2.74Å; E170-F174 WeakPolarHBondContact OE1-CE2 3.49Å; F174-E177 PolarHBondContact O-N 2.92Å; F174-N178 VanDerWaalsContact O-CB 3.24Å; F174-N178 WeakPolarHBondContact O-CB 3.38Å; F174-N178 PolarHBondContact O-N 3.42Å
175K74.8Confident72.3Confident138 Ų13898.5 Ų98.560%0.647%0.467SS*.Hα-helixtrans-61.2-45.3174.1-78.8177.6178.3-1800111.9V171 L173 N178 E179V171-K175 HydrophobicContact CG1-CD 4.06Å; V171-K175 HydrophobicContact CG1-CG 4.45Å; V171-K175 WeakPolarHBondContact O-CB 3.5Å; V171-K175 VanDerWaalsContact O-CG 3.27Å; V171-K175 WeakPolarHBondContact O-CG 3.25Å; V171-K175 PolarHBondContact O-N 3.29Å; L173-K175 VanDerWaalsContact C-N 3.32Å; L173-K175 PolarHBondContact O-N 3.49Å; K175-N178 PolarHBondContact O-N 2.93Å; K175-E179 PolarHBondContact O-N 3.3Å
176K73.3Confident71.8Confident154 Ų15499.3 Ų99.367%0.6747%0.474SS*.Hα-helixtrans-64.3-41.7178.8-169.6178.3-178.4178.90112.2R172 L173 A180R172-K176 PolarHBondContact O-N 3.46Å; R172-K176 VanDerWaalsContact O-N 3.12Å; L173-K176 PolarHBondContact O-N 3.22Å; L173-K176 VanDerWaalsContact O-N 3.15Å; K176-A180 WeakPolarHBondContact O-CB 3.24Å; K176-A180 PolarHBondContact O-N 3.36Å
177E74.3Confident71.5Confident74 Ų7499.4 Ų99.435%0.34648%0.482SS..Hα-helixtrans-66.1-41.9174.8-74.1-174.2164.800111.8L173 F174 E179 A180 L181L173-E177 HydrophobicContact CD2-CG 3.98Å; L173-E177 WeakPolarHBondContact CD2-OE1 3.37Å; L173-E177 PolarHBondContact O-N 2.85Å; F174-E177 PolarHBondContact O-N 2.92Å; E177-E179 PolarHBondContact O-N 3.5Å; E177-A180 PolarHBondContact O-N 2.83Å; E177-L181 WeakPolarHBondContact O-CB 3.45Å; E177-L181 WeakPolarHBondContact O-CG 3.38Å; E177-L181 PolarHBondContact O-N 3.24Å
178N71.4Confident71.1Confident82 Ų8297.5 Ų97.544%0.43947%0.472SS..Hα-helixtrans-63.1-42.5178.2-154-54.1000111.3F174 K175 L181 R182F174-N178 VanDerWaalsContact O-CB 3.24Å; F174-N178 WeakPolarHBondContact O-CB 3.38Å; F174-N178 PolarHBondContact O-N 3.42Å; K175-N178 PolarHBondContact O-N 2.93Å; N178-L181 PolarHBondContact O-N 2.75Å; N178-R182 WeakPolarHBondContact O-CB 3.28Å; N178-R182 VanDerWaalsContact O-CG 3.22Å; N178-R182 WeakPolarHBondContact O-CG 3.35Å; N178-R182 PolarHBondContact O-N 3.27Å; N178-R182 PolarHBondContact OD1-NE 3.12Å
179E71.6Confident70.5Confident116 Ų11698.5 Ų98.554%0.54248%0.477SS..Hα-helixtrans-62.7-41.8172.8-81.2177.7176.600112.7K175 E177 R182 R183K175-E179 PolarHBondContact O-N 3.3Å; E177-E179 PolarHBondContact O-N 3.5Å; E179-R182 PolarHBondContact O-N 2.82Å; E179-R183 WeakPolarHBondContact O-CB 3.4Å; E179-R183 WeakPolarHBondContact O-CG 3.49Å; E179-R183 PolarHBondContact O-N 3.05Å; E179-R183 PolarHBondContact O-NE 2.77Å
180A68.6Low69.9Low42 Ų4298.9 Ų98.935%0.34748%0.48SS..Hα-helixtrans-64.2-43.5176.900000111.7K176 E177 R183 H184K176-A180 WeakPolarHBondContact O-CB 3.24Å; K176-A180 PolarHBondContact O-N 3.36Å; E177-A180 PolarHBondContact O-N 2.83Å; A180-R183 PolarHBondContact O-N 3.35Å; A180-H184 WeakPolarHBondContact O-CB 3.25Å; A180-H184 PolarHBondContact O-N 2.85Å
181L75.3Confident69.3Low107 Ų107100.1 Ų100.156%0.5649%0.486SS*.Hα-helixtrans-65-42.8176.5-73.3171.2000111.8E177 N178 R183 H184 I185E177-L181 WeakPolarHBondContact O-CB 3.45Å; E177-L181 WeakPolarHBondContact O-CG 3.38Å; E177-L181 PolarHBondContact O-N 3.24Å; N178-L181 PolarHBondContact O-N 2.75Å; L181-R183 VanDerWaalsContact C-N 3.34Å; L181-R183 PolarHBondContact O-N 3.26Å; L181-H184 PolarHBondContact O-N 2.86Å; L181-I185 WeakPolarHBondContact O-CB 3.49Å; L181-I185 VanDerWaalsContact O-CG1 3.27Å; L181-I185 WeakPolarHBondContact O-CG1 3.33Å; L181-I185 PolarHBondContact O-N 3.33Å
182R71.6Confident68.6Low173 Ų173101 Ų10165%0.65349%0.491SS*.Hα-helixtrans-60.4-43.7175.1-75.5175.7-174.2-148.7-2.2111.7N178 E179 I185 A186N178-R182 WeakPolarHBondContact O-CB 3.28Å; N178-R182 VanDerWaalsContact O-CG 3.22Å; N178-R182 WeakPolarHBondContact O-CG 3.35Å; N178-R182 PolarHBondContact O-N 3.27Å; N178-R182 PolarHBondContact OD1-NE 3.12Å; E179-R182 PolarHBondContact O-N 2.82Å; R182-I185 PolarHBondContact O-N 3.42Å; R182-A186 WeakPolarHBondContact O-CB 3.33Å; R182-A186 PolarHBondContact O-N 3Å
183R66.6Low67.9Low153 Ų153100.9 Ų100.958%0.57749%0.492SS*.Hα-helixtrans-60.7-45.4174-78.8-178-81.1133.8-8.6111.5E179 A180 L181 I185 A186 V187E179-R183 WeakPolarHBondContact O-CB 3.4Å; E179-R183 WeakPolarHBondContact O-CG 3.49Å; E179-R183 PolarHBondContact O-N 3.05Å; E179-R183 PolarHBondContact O-NE 2.77Å; A180-R183 PolarHBondContact O-N 3.35Å; L181-R183 VanDerWaalsContact C-N 3.34Å; L181-R183 PolarHBondContact O-N 3.26Å; R183-I185 PolarHBondContact O-N 2.92Å; R183-A186 PolarHBondContact O-N 2.97Å; R183-V187 WeakPolarHBondContact O-CG2 3.23Å; R183-V187 PolarHBondContact O-N 2.83Å
184H68.9Low67Low110 Ų11099.7 Ų99.751%0.50950%0.496SS..Hα-helixtrans-64.6-41.1179.3-166.925.3000112.5A180 L181 A186 V187 L188A180-H184 WeakPolarHBondContact O-CB 3.25Å; A180-H184 PolarHBondContact O-N 2.85Å; L181-H184 PolarHBondContact O-N 2.86Å; H184-A186 VanDerWaalsContact C-N 3.33Å; H184-A186 PolarHBondContact O-N 3.1Å; H184-V187 PolarHBondContact O-N 3.13Å; H184-L188 WeakPolarHBondContact O-CG 3.48Å; H184-L188 PolarHBondContact O-N 2.78Å
185I67.3Low66.3Low89 Ų8996.3 Ų96.346%0.45649%0.489SS..Hα-helixtrans-60.7-43.2174.4-71.2167.3000110.8L181 R182 R183 L188 Q189L181-I185 WeakPolarHBondContact O-CB 3.49Å; L181-I185 VanDerWaalsContact O-CG1 3.27Å; L181-I185 WeakPolarHBondContact O-CG1 3.33Å; L181-I185 PolarHBondContact O-N 3.33Å; R182-I185 PolarHBondContact O-N 3.42Å; R183-I185 PolarHBondContact O-N 2.92Å; I185-L188 PolarHBondContact O-N 2.92Å; I185-Q189 HydrophobicContact CG2-CG 4.27Å; I185-Q189 WeakPolarHBondContact O-CB 3.25Å; I185-Q189 VanDerWaalsContact O-CG 3.26Å; I185-Q189 WeakPolarHBondContact O-CG 3.46Å; I185-Q189 PolarHBondContact O-N 3.33Å
186A62.8Low65.5Low51 Ų5198.4 Ų98.442%0.42149%0.493SS..Hα-helixtrans-62.2-43.517900000112.1R182 R183 H184 Q189 A190R182-A186 WeakPolarHBondContact O-CB 3.33Å; R182-A186 PolarHBondContact O-N 3Å; R183-A186 PolarHBondContact O-N 2.97Å; H184-A186 VanDerWaalsContact C-N 3.33Å; H184-A186 PolarHBondContact O-N 3.1Å; A186-Q189 PolarHBondContact O-N 2.82Å; A186-A190 PolarHBondContact O-N 2.93Å
187V67.7Low64.7Low77 Ų7795.6 Ų95.647%0.46749%0.485SS..Hα-helixtrans-60.7-50175.2173.40000110.8R183 H184 Q189 A190 E191R183-V187 WeakPolarHBondContact O-CG2 3.23Å; R183-V187 PolarHBondContact O-N 2.83Å; H184-V187 PolarHBondContact O-N 3.13Å; V187-Q189 VanDerWaalsContact C-N 3.28Å; V187-Q189 PolarHBondContact O-N 3.45Å; V187-A190 PolarHBondContact O-N 3.12Å; V187-A190 VanDerWaalsContact O-N 3.16Å; V187-E191 WeakPolarHBondContact O-CG 3.38Å; V187-E191 PolarHBondContact O-N 3Å
188L62.3Low64Low65 Ų6594.1 Ų94.134%0.3449%0.485SS..Hα-helixtrans-60.6-38178.2-72.2172000112.2H184 I185 V192H184-L188 WeakPolarHBondContact O-CG 3.48Å; H184-L188 PolarHBondContact O-N 2.78Å; I185-L188 PolarHBondContact O-N 2.92Å; L188-V192 VanDerWaalsContact O-CG2 3.27Å; L188-V192 WeakPolarHBondContact O-CG2 3.4Å; L188-V192 PolarHBondContact O-N 3.19Å
189Q60.3Low63.4Low109 Ų10992.4 Ų92.451%0.50948%0.482SS..Hα-helixtrans-63.6-47.7175.2-77.4175.4-20.300111.2I185 A186 V187 E191 V192 Y193I185-Q189 HydrophobicContact CG2-CG 4.27Å; I185-Q189 WeakPolarHBondContact O-CB 3.25Å; I185-Q189 VanDerWaalsContact O-CG 3.26Å; I185-Q189 WeakPolarHBondContact O-CG 3.46Å; I185-Q189 PolarHBondContact O-N 3.33Å; A186-Q189 PolarHBondContact O-N 2.82Å; V187-Q189 VanDerWaalsContact C-N 3.28Å; V187-Q189 PolarHBondContact O-N 3.45Å; Q189-E191 VanDerWaalsContact C-N 3.32Å; Q189-E191 PolarHBondContact O-N 3.24Å; Q189-V192 PolarHBondContact O-N 2.88Å; Q189-Y193 WeakPolarHBondContact O-CD2 3.39Å; Q189-Y193 PolarHBondContact O-N 3.04Å
190A58.8Low63Low51 Ų5194.1 Ų94.142%0.42149%0.488SS..Hα-helixtrans-59.2-42.9177.500000111.9A186 V187 Y193 G194A186-A190 PolarHBondContact O-N 2.93Å; V187-A190 PolarHBondContact O-N 3.12Å; V187-A190 VanDerWaalsContact O-N 3.16Å; A190-Y193 PolarHBondContact O-N 2.75Å; A190-G194 PolarHBondContact O-N 2.86Å
191E61Low62.7Low94 Ų9499.2 Ų99.244%0.43950%0.499SS..Hα-helixtrans-61.6-46.2175.4-71.8174.7-177.200112.4V187 Q189 Y193 G194 A195V187-E191 WeakPolarHBondContact O-CG 3.38Å; V187-E191 PolarHBondContact O-N 3Å; Q189-E191 VanDerWaalsContact C-N 3.32Å; Q189-E191 PolarHBondContact O-N 3.24Å; E191-Y193 VanDerWaalsContact C-N 3.32Å; E191-Y193 PolarHBondContact O-N 2.81Å; E191-G194 PolarHBondContact O-N 2.87Å; E191-A195 WeakPolarHBondContact O-CB 3.22Å; E191-A195 PolarHBondContact O-N 3.26Å
192V59.7Low62.3Low92 Ų9295.3 Ų95.356%0.55848%0.479SS*.Hα-helixtrans-62.6-41.2177.7170.10000110.8L188 Q189 R196L188-V192 VanDerWaalsContact O-CG2 3.27Å; L188-V192 WeakPolarHBondContact O-CG2 3.4Å; L188-V192 PolarHBondContact O-N 3.19Å; Q189-V192 PolarHBondContact O-N 2.88Å; V192-R196 VanDerWaalsContact O-CB 3.25Å; V192-R196 WeakPolarHBondContact O-CB 3.4Å; V192-R196 PolarHBondContact O-N 3.35Å
193Y58.8Low62.1Low162 Ų16290.5 Ų90.564%0.63547%0.466SS*.Hα-helixtrans-64.3-44.6175.6-79.6-65.1000111.9Q189 A190 E191 R196 L197Q189-Y193 WeakPolarHBondContact O-CD2 3.39Å; Q189-Y193 PolarHBondContact O-N 3.04Å; A190-Y193 PolarHBondContact O-N 2.75Å; E191-Y193 VanDerWaalsContact C-N 3.32Å; E191-Y193 PolarHBondContact O-N 2.81Å; Y193-R196 PolarHBondContact O-N 2.75Å; Y193-L197 WeakPolarHBondContact O-CB 3.37Å; Y193-L197 PolarHBondContact O-N 2.94Å
194G58.2Low62.3Low40 Ų4091 Ų9141%0.41247%0.472SS..Hα-helixtrans-59.9-47.1175.900000112.5A190 E191 R196 L197 A198A190-G194 PolarHBondContact O-N 2.86Å; E191-G194 PolarHBondContact O-N 2.87Å; G194-R196 VanDerWaalsContact C-N 3.35Å; G194-R196 PolarHBondContact O-N 2.85Å; G194-L197 PolarHBondContact O-N 2.86Å; G194-A198 WeakPolarHBondContact O-CB 3.31Å; G194-A198 PolarHBondContact O-N 2.97Å
195A60Low62.4Low44 Ų4492 Ų9236%0.36448%0.478SS..Hα-helixtrans-62.6-40.9176.800000112.1E191 L197 A198 A199 A247E191-A195 WeakPolarHBondContact O-CB 3.22Å; E191-A195 PolarHBondContact O-N 3.26Å; A195-L197 VanDerWaalsContact C-N 3.33Å; A195-L197 PolarHBondContact O-N 2.89Å; A195-A198 PolarHBondContact O-N 2.96Å; A195-A199 WeakPolarHBondContact O-CB 3.43Å; A195-A199 PolarHBondContact O-N 2.95Å; A195-A247 HydrophobicContact CB-CB 4.43Å
196R57.6Low62.5Low181 Ų18188.8 Ų88.868%0.68346%0.461SS*.Hα-helixtrans-65.5-38.1177.3-165.1178.2-142.3168.36.3111.9V192 Y193 G194 K200V192-R196 VanDerWaalsContact O-CB 3.25Å; V192-R196 WeakPolarHBondContact O-CB 3.4Å; V192-R196 PolarHBondContact O-N 3.35Å; Y193-R196 PolarHBondContact O-N 2.75Å; G194-R196 VanDerWaalsContact C-N 3.35Å; G194-R196 PolarHBondContact O-N 2.85Å; R196-K200 WeakPolarHBondContact O-CB 3.25Å; R196-K200 PolarHBondContact O-N 3.49Å; R196-K200 VanDerWaalsContact O-N 3.09Å
197L55Low62.8Low96 Ų9689 Ų8950%0.50346%0.463SS..Hα-helixtrans-69.3-45.9177.4-171.261.7000111Y193 G194 A195 A199 K200 Y201Y193-L197 WeakPolarHBondContact O-CB 3.37Å; Y193-L197 PolarHBondContact O-N 2.94Å; G194-L197 PolarHBondContact O-N 2.86Å; A195-L197 VanDerWaalsContact C-N 3.33Å; A195-L197 PolarHBondContact O-N 2.89Å; L197-A199 VanDerWaalsContact C-N 3.33Å; L197-A199 PolarHBondContact O-N 3.31Å; L197-K200 WeakPolarHBondContact O-CB 3.43Å; L197-K200 PolarHBondContact O-N 2.94Å; L197-K200 VanDerWaalsContact O-N 3.1Å; L197-Y201 HydrophobicContact CD1-CD2 4.07Å; L197-Y201 HydrophobicContact CD1-CE2 3.71Å; L197-Y201 HydrophobicContact CD2-CE2 4.18Å; L197-Y201 HydrophobicContact CG-CD2 3.88Å; L197-Y201 HydrophobicContact CG-CE2 3.69Å; L197-Y201 WeakPolarHBondContact O-CD2 3.47Å; L197-Y201 PolarHBondContact O-N 3.33Å
198A60.1Low63.2Low43 Ų4386.9 Ų86.936%0.35546%0.456SS..Hα-helixtrans-58.1-43.9174.900000111.9G194 A195 K200 Y201 L202 T243G194-A198 WeakPolarHBondContact O-CB 3.31Å; G194-A198 PolarHBondContact O-N 2.97Å; A195-A198 PolarHBondContact O-N 2.96Å; A198-K200 VanDerWaalsContact C-N 3.33Å; A198-K200 PolarHBondContact O-N 3.35Å; A198-Y201 PolarHBondContact O-N 2.87Å; A198-L202 WeakPolarHBondContact O-CB 3.17Å; A198-L202 PolarHBondContact O-N 3.39Å; A198-T243 HydrophobicContact CB-CG2 4.45Å
199A59Low63.6Low45 Ų4591.8 Ų91.837%0.37247%0.47SS..Hα-helixtrans-59.7-42.1174.500000112.2A195 L197 L202 D203A195-A199 WeakPolarHBondContact O-CB 3.43Å; A195-A199 PolarHBondContact O-N 2.95Å; L197-A199 VanDerWaalsContact C-N 3.33Å; L197-A199 PolarHBondContact O-N 3.31Å; A199-L202 PolarHBondContact O-N 2.96Å; A199-D203 PolarHBondContact O-N 3.26Å
200K62.8Low64.1Low153 Ų15387.9 Ų87.967%0.66545%0.454SS*.Hα-helixtrans-67.8-38.2178.5-169.7-179.3-179.8-177.20112.9R196 L197 A198 D203 K204R196-K200 WeakPolarHBondContact O-CB 3.25Å; R196-K200 PolarHBondContact O-N 3.49Å; R196-K200 VanDerWaalsContact O-N 3.09Å; L197-K200 WeakPolarHBondContact O-CB 3.43Å; L197-K200 PolarHBondContact O-N 2.94Å; L197-K200 VanDerWaalsContact O-N 3.1Å; A198-K200 VanDerWaalsContact C-N 3.33Å; A198-K200 PolarHBondContact O-N 3.35Å; K200-D203 PolarHBondContact O-N 3.49Å; K200-K204 PolarHBondContact O-N 3Å
201Y63.8Low64.9Low149 Ų14991.4 Ų91.458%0.58446%0.461SS*.Hα-helixtrans-65.1-45.4174-87.5-73.3000111.2L197 A198 D203 K204 E205L197-Y201 HydrophobicContact CD1-CD2 4.07Å; L197-Y201 HydrophobicContact CD1-CE2 3.71Å; L197-Y201 HydrophobicContact CD2-CE2 4.18Å; L197-Y201 HydrophobicContact CG-CD2 3.88Å; L197-Y201 HydrophobicContact CG-CE2 3.69Å; L197-Y201 WeakPolarHBondContact O-CD2 3.47Å; L197-Y201 PolarHBondContact O-N 3.33Å; A198-Y201 PolarHBondContact O-N 2.87Å; Y201-D203 VanDerWaalsContact C-N 3.31Å; Y201-D203 PolarHBondContact O-N 3.31Å; Y201-K204 WeakPolarHBondContact O-CB 3.5Å; Y201-K204 PolarHBondContact O-N 3.05Å; Y201-E205 PolarHBondContact O-N 3.32Å
202L66.6Low65.5Low25 Ų2592.5 Ų92.513%0.13147%0.467CS..Hα-helixtrans-58.9-43.5176-17167.6000111A198 A199 K204 E205 L206 R240A198-L202 WeakPolarHBondContact O-CB 3.17Å; A198-L202 PolarHBondContact O-N 3.39Å; A199-L202 PolarHBondContact O-N 2.96Å; L202-K204 VanDerWaalsContact C-N 3.27Å; L202-K204 PolarHBondContact O-N 3.35Å; L202-E205 PolarHBondContact O-N 2.91Å; L202-L206 HydrophobicContact CD1-CD1 4.48Å; L202-L206 HydrophobicContact CD1-CG 4.47Å; L202-L206 HydrophobicContact CD2-CD1 4.42Å; L202-L206 HydrophobicContact CG-CD1 3.81Å; L202-L206 HydrophobicContact CG-CG 4.26Å; L202-L206 WeakPolarHBondContact O-CB 3.48Å; L202-L206 WeakPolarHBondContact O-CD1 3.41Å; L202-L206 WeakPolarHBondContact O-CG 3.42Å; L202-L206 PolarHBondContact O-N 2.98Å; L202-R240 HydrophobicContact CD2-CB 4.21Å; L202-R240 HydrophobicContact CD2-CG 3.57Å
203D67.1Low66Low72 Ų7290.3 Ų90.339%0.38545%0.451SS..Hα-helixtrans-56.7-39.3174.5-76.4-19.2000112.8A199 K200 Y201 A207 R240A199-D203 PolarHBondContact O-N 3.26Å; K200-D203 PolarHBondContact O-N 3.49Å; Y201-D203 VanDerWaalsContact C-N 3.31Å; Y201-D203 PolarHBondContact O-N 3.31Å; D203-A207 WeakPolarHBondContact O-CB 3.35Å; D203-A207 PolarHBondContact O-N 3.38Å; D203-R240 IonicContact OD1-CZ 3.75Å; D203-R240 IonicContact OD1-NE 3.4Å; D203-R240 IonicContact OD1-NH1 2.79Å; D203-R240 IonicContact OD1-NH2 3.11Å; D203-R240 PolarHBondContact OD1-NH2 2.59Å
204K70.3Confident66.6Low163 Ų16387.3 Ų87.371%0.70944%0.443SS*.Hα-helixtrans-72.3-43.2179.5-170.5-178.3176.9-173.20112.1K200 Y201 L202 L206 A207 G208K200-K204 PolarHBondContact O-N 3Å; Y201-K204 WeakPolarHBondContact O-CB 3.5Å; Y201-K204 PolarHBondContact O-N 3.05Å; L202-K204 VanDerWaalsContact C-N 3.27Å; L202-K204 PolarHBondContact O-N 3.35Å; K204-L206 VanDerWaalsContact C-N 3.34Å; K204-A207 PolarHBondContact O-N 2.92Å; K204-G208 PolarHBondContact O-N 3.42Å
205E71Confident67.4Low132 Ų13291.5 Ų91.562%0.61746%0.455SS*.Hα-helixtrans-64.6-41.3175.3-70.5-160.9152.300111.7Y201 L202 G208 R209Y201-E205 PolarHBondContact O-N 3.32Å; L202-E205 PolarHBondContact O-N 2.91Å; E205-G208 PolarHBondContact O-N 3.37Å; E205-R209 VanDerWaalsContact O-CG 3.3Å; E205-R209 WeakPolarHBondContact O-CG 3.47Å; E205-R209 PolarHBondContact O-N 2.95Å
206L69.2Low68Low21 Ų2196 Ų9611%0.1147%0.472CS..Hα-helixtrans-59.3-47.9174.4-76170.7000111.6L202 K204 G208 R209 V210 I236 R240L202-L206 HydrophobicContact CD1-CD1 4.48Å; L202-L206 HydrophobicContact CD1-CG 4.47Å; L202-L206 HydrophobicContact CD2-CD1 4.42Å; L202-L206 HydrophobicContact CG-CD1 3.81Å; L202-L206 HydrophobicContact CG-CG 4.26Å; L202-L206 WeakPolarHBondContact O-CB 3.48Å; L202-L206 WeakPolarHBondContact O-CD1 3.41Å; L202-L206 WeakPolarHBondContact O-CG 3.42Å; L202-L206 PolarHBondContact O-N 2.98Å; K204-L206 VanDerWaalsContact C-N 3.34Å; L206-G208 VanDerWaalsContact C-N 3.29Å; L206-G208 PolarHBondContact O-N 3.3Å; L206-R209 PolarHBondContact O-N 2.89Å; L206-V210 WeakPolarHBondContact O-CB 3.36Å; L206-V210 VanDerWaalsContact O-CG2 3.23Å; L206-V210 WeakPolarHBondContact O-CG2 3.36Å; L206-V210 PolarHBondContact O-N 2.83Å; L206-I236 HydrophobicContact CD1-CG2 3.61Å; L206-I236 HydrophobicContact CD2-CB 3.72Å; L206-I236 HydrophobicContact CD2-CD1 3.77Å; L206-I236 HydrophobicContact CD2-CG1 3.29Å; L206-I236 HydrophobicContact CD2-CG2 3.45Å; L206-I236 VanDerWaalsContact CD2-CG2 3.45Å; L206-I236 HydrophobicContact CG-CG2 4.15Å; L206-R240 HydrophobicContact CD1-CG 4.23Å
207A70Confident68.5Low55 Ų5587.9 Ų87.946%0.45545%0.445SS..Hα-helixtrans-59.3-40.8175.800000112D203 K204 Q211D203-A207 WeakPolarHBondContact O-CB 3.35Å; D203-A207 PolarHBondContact O-N 3.38Å; K204-A207 PolarHBondContact O-N 2.92Å; A207-Q211 WeakPolarHBondContact O-CB 3.4Å; A207-Q211 PolarHBondContact O-N 2.86Å
208G75.9Confident69.2Low32 Ų3292.8 Ų92.833%0.3346%0.457SS..Hα-helixtrans-64.4-46.3175.800000113.2K204 E205 L206 Q211 Q212K204-G208 PolarHBondContact O-N 3.42Å; E205-G208 PolarHBondContact O-N 3.37Å; L206-G208 VanDerWaalsContact C-N 3.29Å; L206-G208 PolarHBondContact O-N 3.3Å; G208-Q211 PolarHBondContact O-N 3.19Å; G208-Q212 WeakPolarHBondContact O-CB 3.37Å; G208-Q212 PolarHBondContact O-N 2.89Å
209R69.5Low69.6Low169 Ų16997.9 Ų97.964%0.63848%0.478SS*.Hα-helixtrans-61.5-45.2176.1-70.3-85.8-175.51231111.3E205 L206 Q211 Q212 I213E205-R209 VanDerWaalsContact O-CG 3.3Å; E205-R209 WeakPolarHBondContact O-CG 3.47Å; E205-R209 PolarHBondContact O-N 2.95Å; L206-R209 PolarHBondContact O-N 2.89Å; R209-Q211 PolarHBondContact O-N 3.5Å; R209-Q212 PolarHBondContact O-N 2.84Å; R209-I213 WeakPolarHBondContact O-CB 3.23Å; R209-I213 WeakPolarHBondContact O-CD1 3.48Å; R209-I213 WeakPolarHBondContact O-CG1 3.44Å; R209-I213 PolarHBondContact O-N 3.36Å
210V71.4Confident70Confident27 Ų2799.3 Ų99.316%0.16448%0.478CS..Hα-helixtrans-59.9-45.8176.2168.40000110.9L206 Q212 I213 Q214 W229 L232 I236L206-V210 WeakPolarHBondContact O-CB 3.36Å; L206-V210 VanDerWaalsContact O-CG2 3.23Å; L206-V210 WeakPolarHBondContact O-CG2 3.36Å; L206-V210 PolarHBondContact O-N 2.83Å; V210-Q212 PolarHBondContact O-N 3.47Å; V210-I213 PolarHBondContact O-N 3.13Å; V210-Q214 HydrophobicContact CG1-CG 4.38Å; V210-Q214 WeakPolarHBondContact O-CB 3.38Å; V210-Q214 VanDerWaalsContact O-CG 3.3Å; V210-Q214 WeakPolarHBondContact O-CG 3.21Å; V210-Q214 PolarHBondContact O-N 2.91Å; V210-W229 HydrophobicContact CG1-CH2 3.62Å; V210-W229 HydrophobicContact CG1-CZ3 3.96Å; V210-L232 HydrophobicContact CG2-CD2 4.18Å; V210-I236 HydrophobicContact CG2-CD1 3.81Å
211Q76.6Confident70.6Confident124 Ų124100.9 Ų100.958%0.57949%0.485SS*.Hα-helixtrans-60.8-45.7175.4-84-177.5-16.800112.2A207 G208 R209 I213 Q214 L215A207-Q211 WeakPolarHBondContact O-CB 3.4Å; A207-Q211 PolarHBondContact O-N 2.86Å; G208-Q211 PolarHBondContact O-N 3.19Å; R209-Q211 PolarHBondContact O-N 3.5Å; Q211-I213 VanDerWaalsContact C-N 3.26Å; Q211-I213 PolarHBondContact O-N 3.48Å; Q211-Q214 PolarHBondContact O-N 3.15Å; Q211-L215 WeakPolarHBondContact O-CB 3.48Å; Q211-L215 WeakPolarHBondContact O-CD1 3.46Å; Q211-L215 WeakPolarHBondContact O-CG 3.5Å; Q211-L215 PolarHBondContact O-N 3.33Å
212Q72.3Confident71.2Confident118 Ų11895.6 Ų95.655%0.55148%0.475SS*.Hα-helixtrans-60.1-39.5179-168175.3-3.100111.5G208 R209 V210 L215 L216G208-Q212 WeakPolarHBondContact O-CB 3.37Å; G208-Q212 PolarHBondContact O-N 2.89Å; R209-Q212 PolarHBondContact O-N 2.84Å; V210-Q212 PolarHBondContact O-N 3.47Å; Q212-L215 WeakPolarHBondContact O-CB 3.39Å; Q212-L215 PolarHBondContact O-N 3.35Å; Q212-L216 HydrophobicContact CG-CD1 4.08Å; Q212-L216 WeakPolarHBondContact O-CB 3.3Å; Q212-L216 WeakPolarHBondContact O-CD1 3.41Å; Q212-L216 WeakPolarHBondContact O-CG 3.37Å; Q212-L216 PolarHBondContact O-N 3.41Å
213I70.4Confident71.5Confident45 Ų4599.3 Ų99.323%0.23150%0.501CS..Hα-helixtrans-73.8-36.9178.1-71.4159.3000112R209 V210 Q211 L215 L216 G217 L228 L232R209-I213 WeakPolarHBondContact O-CB 3.23Å; R209-I213 WeakPolarHBondContact O-CD1 3.48Å; R209-I213 WeakPolarHBondContact O-CG1 3.44Å; R209-I213 PolarHBondContact O-N 3.36Å; V210-I213 PolarHBondContact O-N 3.13Å; Q211-I213 VanDerWaalsContact C-N 3.26Å; Q211-I213 PolarHBondContact O-N 3.48Å; I213-L215 VanDerWaalsContact C-N 3.3Å; I213-L215 PolarHBondContact O-N 3.03Å; I213-L216 PolarHBondContact O-N 3.05Å; I213-G217 WeakPolarHBondContact O-CA 3.24Å; I213-G217 PolarHBondContact O-N 3.17Å; I213-L228 HydrophobicContact CG2-CD2 4.27Å; I213-L232 HydrophobicContact CB-CD2 4.45Å; I213-L232 HydrophobicContact CD1-CD1 3.42Å; I213-L232 VanDerWaalsContact CD1-CD1 3.42Å; I213-L232 HydrophobicContact CD1-CD2 3.38Å; I213-L232 HydrophobicContact CD1-CG 3.91Å; I213-L232 HydrophobicContact CG2-CD1 4.48Å; I213-L232 HydrophobicContact CG2-CD2 4.37Å
214Q71.3Confident71.7Confident99 Ų9998.7 Ų98.746%0.46351%0.506SS..Hα-helixtrans-64.5-35.6171.7-74.1174.8-1500111.9V210 Q211 R218 W229V210-Q214 HydrophobicContact CG1-CG 4.38Å; V210-Q214 WeakPolarHBondContact O-CB 3.38Å; V210-Q214 VanDerWaalsContact O-CG 3.3Å; V210-Q214 WeakPolarHBondContact O-CG 3.21Å; V210-Q214 PolarHBondContact O-N 2.91Å; Q211-Q214 PolarHBondContact O-N 3.15Å; Q214-R218 PolarHBondContact O-N 2.88Å; Q214-W229 HydrophobicContact CG-CZ3 3.98Å
215L76.2Confident72Confident128 Ų12893.9 Ų93.967%0.6749%0.486SS*.Hα-helixtrans-67.3-43.4173.6-83.4152.5000112Q211 Q212 I213 R218Q211-L215 WeakPolarHBondContact O-CB 3.48Å; Q211-L215 WeakPolarHBondContact O-CD1 3.46Å; Q211-L215 WeakPolarHBondContact O-CG 3.5Å; Q211-L215 PolarHBondContact O-N 3.33Å; Q212-L215 WeakPolarHBondContact O-CB 3.39Å; Q212-L215 PolarHBondContact O-N 3.35Å; I213-L215 VanDerWaalsContact C-N 3.3Å; I213-L215 PolarHBondContact O-N 3.03Å; L215-R218 WeakPolarHBondContact O-CB 3.38Å
216L71.3Confident72.1Confident139 Ų13991.7 Ų91.773%0.72848%0.478SS*.Hα-helixtrans-72.1-33.2176.9-76.6157.2000112.8Q212 I213Q212-L216 HydrophobicContact CG-CD1 4.08Å; Q212-L216 WeakPolarHBondContact O-CB 3.3Å; Q212-L216 WeakPolarHBondContact O-CD1 3.41Å; Q212-L216 WeakPolarHBondContact O-CG 3.37Å; Q212-L216 PolarHBondContact O-N 3.41Å; I213-L216 PolarHBondContact O-N 3.05Å
217G68.8Low72.3Confident11 Ų1198.1 Ų98.111%0.11351%0.506CS..THydrogen-bonded Turntrans-90.97.8-177.800000114.4I213 D219 M220I213-G217 WeakPolarHBondContact O-CA 3.24Å; I213-G217 PolarHBondContact O-N 3.17Å; G217-D219 PolarHBondContact O-N 3.49Å; G217-M220 WeakPolarHBondContact O-CB 3.44Å; G217-M220 PolarHBondContact O-N 3.46Å
218R69.5Low72.5Confident199 Ų19998.7 Ų98.775%0.75150%0.5SS*.THydrogen-bonded Turntrans-55.6-26.5-173.9-174.8176.6143.3175.4-4.8114.2Q214 L215Q214-R218 PolarHBondContact O-N 2.88Å; L215-R218 WeakPolarHBondContact O-CB 3.38Å
219D68.1Low72.2Confident150 Ų150101.3 Ų101.380%0.80250%0.5SS*.THydrogen-bonded Turntrans-101.3-3.3178-63.3-35.6000113.8G217G217-D219 PolarHBondContact O-N 3.49Å
220M67.2Low72.2Confident75 Ų7597.8 Ų97.837%0.36950%0.495SS..  trans-83.1124.7174.4-65.4-137.4-58.800110.5G217 H225 L228G217-M220 WeakPolarHBondContact O-CB 3.44Å; G217-M220 PolarHBondContact O-N 3.46Å; M220-H225 HydrophobicContact CB-CB 4.4Å; M220-L228 HydrophobicContact CE-CB 4.2Å; M220-L228 HydrophobicContact CE-CD2 3.42Å; M220-L228 VanDerWaalsContact CE-CD2 3.42Å; M220-L228 HydrophobicContact CE-CG 4.45Å
221K75.4Confident72.1Confident186 Ų186102.7 Ų102.781%0.80952%0.516SS*.  trans-130149.3176.8-68.3-175.9-179.6177.10111.6
222G76.4Confident71.7Confident37 Ų3797.9 Ų97.938%0.38149%0.494SS..SBendtrans79.4-150174.200000113.6A224 H225 D226G222-A224 PolarHBondContact O-N 2.87Å; G222-H225 WeakPolarHBondContact O-CB 3.5Å; G222-H225 PolarHBondContact O-N 3.28Å; G222-D226 PolarHBondContact O-N 2.91Å
223P74.4Confident71.3Confident104 Ų10496.6 Ų96.668%0.67549%0.488SS*.Hα-helixtrans-60.2-23.2-165.1-23.231.2000115.8K227P223-K227 WeakPolarHBondContact O-CG 3.36Å; P223-K227 PolarHBondContact O-N 3.15Å
224A70.7Confident70.8Confident58 Ų5895.9 Ų95.948%0.47949%0.488SS..Hα-helixtrans-75.3-35.8177.200000112.3G222 L228G222-A224 PolarHBondContact O-N 2.87Å; A224-L228 PolarHBondContact O-N 3.22Å
225H77.6Confident70.4Confident62 Ų6296.1 Ų96.129%0.28749%0.489SS..Hα-helixtrans-65.5-46.9173.4178.2-81.2000110.2M220 G222 K227 L228 W229M220-H225 HydrophobicContact CB-CB 4.4Å; G222-H225 WeakPolarHBondContact O-CB 3.5Å; G222-H225 PolarHBondContact O-N 3.28Å; H225-K227 VanDerWaalsContact C-N 3.34Å; H225-K227 PolarHBondContact O-N 2.84Å; H225-L228 PolarHBondContact O-N 3.38Å; H225-W229 WeakPolarHBondContact O-CB 3.3Å; H225-W229 PolarHBondContact O-N 2.87Å
226D72.6Confident69.8Low86 Ų8691.5 Ų91.546%0.4647%0.465SS..Hα-helixtrans-64.8-37.6-177.9-58.7-24.2000112.2G222 W229 N230G222-D226 PolarHBondContact O-N 2.91Å; D226-W229 PolarHBondContact O-N 3.44Å; D226-N230 VanDerWaalsContact O-CB 3.31Å; D226-N230 WeakPolarHBondContact O-CB 3.41Å; D226-N230 PolarHBondContact O-N 3.41Å; D226-N230 PolarHBondContact O-ND2 2.78Å; D226-N230 VanDerWaalsContact O-ND2 3.17Å
227K73.8Confident69.2Low157 Ų15790 Ų9068%0.68345%0.454SS*.Hα-helixtrans-63.2-46.6173.6-79.4179.5-178-178.50112.4P223 H225 W229 Q231P223-K227 WeakPolarHBondContact O-CG 3.36Å; P223-K227 PolarHBondContact O-N 3.15Å; H225-K227 VanDerWaalsContact C-N 3.34Å; H225-K227 PolarHBondContact O-N 2.84Å; K227-W229 VanDerWaalsContact C-N 3.33Å; K227-Q231 WeakPolarHBondContact O-CB 3.48Å; K227-Q231 PolarHBondContact O-N 3.19Å
228L72.6Confident68.9Low66 Ų6690.9 Ų90.935%0.34646%0.456SS..Hα-helixtrans-63.9-42.1177.9-178.565.8000110.8I213 M220 A224 H225 Q231 L232I213-L228 HydrophobicContact CG2-CD2 4.27Å; M220-L228 HydrophobicContact CE-CB 4.2Å; M220-L228 HydrophobicContact CE-CD2 3.42Å; M220-L228 VanDerWaalsContact CE-CD2 3.42Å; M220-L228 HydrophobicContact CE-CG 4.45Å; A224-L228 PolarHBondContact O-N 3.22Å; H225-L228 PolarHBondContact O-N 3.38Å; L228-Q231 PolarHBondContact O-N 2.84Å; L228-L232 WeakPolarHBondContact O-CB 3.46Å; L228-L232 PolarHBondContact O-N 2.77Å
229W70.1Confident68.5Low87 Ų8785.7 Ų85.733%0.3344%0.44SS..Hα-helixtrans-62.4-48.2178.5-171-95.2000112.1V210 Q214 H225 D226 K227 Q231 L232 E233V210-W229 HydrophobicContact CG1-CH2 3.62Å; V210-W229 HydrophobicContact CG1-CZ3 3.96Å; Q214-W229 HydrophobicContact CG-CZ3 3.98Å; H225-W229 WeakPolarHBondContact O-CB 3.3Å; H225-W229 PolarHBondContact O-N 2.87Å; D226-W229 PolarHBondContact O-N 3.44Å; K227-W229 VanDerWaalsContact C-N 3.33Å; W229-Q231 VanDerWaalsContact C-N 3.31Å; W229-Q231 PolarHBondContact O-N 2.92Å; W229-L232 WeakPolarHBondContact O-CB 3.31Å; W229-L232 PolarHBondContact O-N 3.48Å; W229-E233 WeakPolarHBondContact O-CB 3.32Å; W229-E233 PolarHBondContact O-N 3.41Å
230N69.4Low68Low96 Ų9683.5 Ų83.551%0.51342%0.421SS..Hα-helixtrans-62.8-38.2177.1-70.4-21.3000112.1D226 A234D226-N230 VanDerWaalsContact O-CB 3.31Å; D226-N230 WeakPolarHBondContact O-CB 3.41Å; D226-N230 PolarHBondContact O-N 3.41Å; D226-N230 PolarHBondContact O-ND2 2.78Å; D226-N230 VanDerWaalsContact O-ND2 3.17Å; N230-A234 WeakPolarHBondContact O-CB 3.28Å; N230-A234 PolarHBondContact O-N 3.21Å
231Q70.2Confident67.3Low130 Ų13085 Ų8561%0.60743%0.427SS*.Hα-helixtrans-66.2-40.7175.7-176.7166.2-8.200111.3K227 L228 W229 A234 E235K227-Q231 WeakPolarHBondContact O-CB 3.48Å; K227-Q231 PolarHBondContact O-N 3.19Å; L228-Q231 PolarHBondContact O-N 2.84Å; W229-Q231 VanDerWaalsContact C-N 3.31Å; W229-Q231 PolarHBondContact O-N 2.92Å; Q231-A234 PolarHBondContact O-N 2.74Å; Q231-E235 PolarHBondContact O-N 2.9Å
232L67.7Low66.5Low23 Ų2381.2 Ų81.212%0.1241%0.41CS..Hα-helixtrans-61.6-52.7174.4-13286.9000111.1V210 I213 L228 W229 A234 E235 I236V210-L232 HydrophobicContact CG2-CD2 4.18Å; I213-L232 HydrophobicContact CB-CD2 4.45Å; I213-L232 HydrophobicContact CD1-CD1 3.42Å; I213-L232 VanDerWaalsContact CD1-CD1 3.42Å; I213-L232 HydrophobicContact CD1-CD2 3.38Å; I213-L232 HydrophobicContact CD1-CG 3.91Å; I213-L232 HydrophobicContact CG2-CD1 4.48Å; I213-L232 HydrophobicContact CG2-CD2 4.37Å; L228-L232 WeakPolarHBondContact O-CB 3.46Å; L228-L232 PolarHBondContact O-N 2.77Å; W229-L232 WeakPolarHBondContact O-CB 3.31Å; W229-L232 PolarHBondContact O-N 3.48Å; L232-A234 PolarHBondContact O-N 2.86Å; L232-E235 WeakPolarHBondContact O-CB 3.4Å; L232-E235 PolarHBondContact O-N 3.36Å; L232-I236 HydrophobicContact CD2-CD1 4.4Å; L232-I236 WeakPolarHBondContact O-CG1 3.24Å; L232-I236 PolarHBondContact O-N 3.26Å
233E64.2Low65.6Low91 Ų9181.7 Ų81.743%0.42541%0.405SS..Hα-helixtrans-56.3-40.9-179.7-171.1168.2-149.300111.5W229 I236 H237W229-E233 WeakPolarHBondContact O-CB 3.32Å; W229-E233 PolarHBondContact O-N 3.41Å; E233-I236 WeakPolarHBondContact O-CB 3.5Å; E233-I236 PolarHBondContact O-N 3.46Å; E233-H237 PolarHBondContact O-CD2 3.41Å; E233-H237 PolarHBondContact O-N 2.86Å
234A59Low64.5Low29 Ų2980.8 Ų80.824%0.2440%0.398CS..Hα-helixtrans-62.3-42.6173.700000113N230 Q231 L232 H237 L238N230-A234 WeakPolarHBondContact O-CB 3.28Å; N230-A234 PolarHBondContact O-N 3.21Å; Q231-A234 PolarHBondContact O-N 2.74Å; L232-A234 PolarHBondContact O-N 2.86Å; A234-H237 PolarHBondContact O-N 3.19Å; A234-L238 WeakPolarHBondContact O-CB 3.11Å; A234-L238 PolarHBondContact O-N 3.01Å
235E64.1Low63.7Low104 Ų10480.5 Ų80.549%0.48639%0.388SS..Hα-helixtrans-68.6-35.3178-167.1159.9-153.200112.1Q231 L232 L238 H239Q231-E235 PolarHBondContact O-N 2.9Å; L232-E235 WeakPolarHBondContact O-CB 3.4Å; L232-E235 PolarHBondContact O-N 3.36Å; E235-L238 WeakPolarHBondContact O-CB 3.21Å; E235-L238 PolarHBondContact O-N 3.05Å; E235-H239 PolarHBondContact O-CD2 3.28Å; E235-H239 PolarHBondContact O-N 2.88Å
236I64Low62.6Low31 Ų3184.3 Ų84.316%0.15940%0.4CS..Hα-helixtrans-62-49.4171.6-65.3-178.3000110.8L206 V210 L232 E233 L238 H239 R240L206-I236 HydrophobicContact CD1-CG2 3.61Å; L206-I236 HydrophobicContact CD2-CB 3.72Å; L206-I236 HydrophobicContact CD2-CD1 3.77Å; L206-I236 HydrophobicContact CD2-CG1 3.29Å; L206-I236 HydrophobicContact CD2-CG2 3.45Å; L206-I236 VanDerWaalsContact CD2-CG2 3.45Å; L206-I236 HydrophobicContact CG-CG2 4.15Å; V210-I236 HydrophobicContact CG2-CD1 3.81Å; L232-I236 HydrophobicContact CD2-CD1 4.4Å; L232-I236 WeakPolarHBondContact O-CG1 3.24Å; L232-I236 PolarHBondContact O-N 3.26Å; E233-I236 WeakPolarHBondContact O-CB 3.5Å; E233-I236 PolarHBondContact O-N 3.46Å; I236-L238 VanDerWaalsContact C-N 3.28Å; I236-L238 PolarHBondContact O-N 3.19Å; I236-H239 PolarHBondContact O-N 3.06Å; I236-R240 WeakPolarHBondContact O-CG 3.44Å; I236-R240 PolarHBondContact O-N 3Å
237H56.7Low61.5Low109 Ų10982.9 Ų82.951%0.50540%0.4SS..Hα-helixtrans-61.6-37.9176.3-78-62.5000111.7E233 A234 R240 H241E233-H237 PolarHBondContact O-CD2 3.41Å; E233-H237 PolarHBondContact O-N 2.86Å; A234-H237 PolarHBondContact O-N 3.19Å; H237-R240 PolarHBondContact O-N 2.9Å; H237-H241 VanDerWaalsContact O-CB 3.24Å; H237-H241 WeakPolarHBondContact O-CB 3.49Å; H237-H241 PolarHBondContact O-N 3.42Å
238L62.9Low60.1Low29 Ų2978.5 Ų78.515%0.15239%0.388CS..Hα-helixtrans-63.4-47.7175.6-177.769.1000112.1A234 E235 I236 H241 K242 V303A234-L238 WeakPolarHBondContact O-CB 3.11Å; A234-L238 PolarHBondContact O-N 3.01Å; E235-L238 WeakPolarHBondContact O-CB 3.21Å; E235-L238 PolarHBondContact O-N 3.05Å; I236-L238 VanDerWaalsContact C-N 3.28Å; I236-L238 PolarHBondContact O-N 3.19Å; L238-H241 PolarHBondContact O-N 2.95Å; L238-K242 HydrophobicContact CG-CD 4.33Å; L238-K242 WeakPolarHBondContact O-CB 3.28Å; L238-K242 WeakPolarHBondContact O-CG 3.35Å; L238-K242 PolarHBondContact O-N 3.22Å; L238-V303 HydrophobicContact CD1-CG1 4.2Å; L238-V303 HydrophobicContact CD1-CG2 4.14Å; L238-V303 HydrophobicContact CD2-CG1 3.77Å
239H61.2Low59Low90 Ų9081.6 Ų81.642%0.41740%0.395SS..Hα-helixtrans-64.8-39.6178-90.5-83.4000112.4E235 I236 K242 T243E235-H239 PolarHBondContact O-CD2 3.28Å; E235-H239 PolarHBondContact O-N 2.88Å; I236-H239 PolarHBondContact O-N 3.06Å; H239-K242 PolarHBondContact O-N 2.88Å; H239-T243 WeakPolarHBondContact O-CB 3.34Å; H239-T243 PolarHBondContact O-N 3.43Å; H239-T243 PolarHBondContact O-OG1 3.11Å
240R58.2Low58Low104 Ų10480.5 Ų80.539%0.39241%0.411SS..Hα-helixtrans-59.9-48.7172-75.3177177.3-140.20.6111.3L202 D203 L206 I236 H237 T243 V244L202-R240 HydrophobicContact CD2-CB 4.21Å; L202-R240 HydrophobicContact CD2-CG 3.57Å; D203-R240 IonicContact OD1-CZ 3.75Å; D203-R240 IonicContact OD1-NE 3.4Å; D203-R240 IonicContact OD1-NH1 2.79Å; D203-R240 IonicContact OD1-NH2 3.11Å; D203-R240 PolarHBondContact OD1-NH2 2.59Å; L206-R240 HydrophobicContact CD1-CG 4.23Å; I236-R240 WeakPolarHBondContact O-CG 3.44Å; I236-R240 PolarHBondContact O-N 3Å; H237-R240 PolarHBondContact O-N 2.9Å; R240-T243 PolarHBondContact O-N 3.45Å; R240-V244 VanDerWaalsContact O-CG2 3.3Å; R240-V244 WeakPolarHBondContact O-CG2 3.4Å; R240-V244 PolarHBondContact O-N 2.88Å
241H53.3Low56.9Low106 Ų10684.3 Ų84.349%0.49142%0.418SS..Hα-helixtrans-62.8-43.5179.6-169.571.4000111.8H237 L238 T243 V244 I245H237-H241 VanDerWaalsContact O-CB 3.24Å; H237-H241 WeakPolarHBondContact O-CB 3.49Å; H237-H241 PolarHBondContact O-N 3.42Å; L238-H241 PolarHBondContact O-N 2.95Å; H241-T243 PolarHBondContact O-N 2.79Å; H241-V244 PolarHBondContact O-N 3.31Å; H241-I245 VanDerWaalsContact CD2-CD1 3.45Å; H241-I245 WeakPolarHBondContact CD2-CD1 3.46Å; H241-I245 WeakPolarHBondContact NE2-CD1 3.4Å; H241-I245 WeakPolarHBondContact O-CB 3.43Å; H241-I245 VanDerWaalsContact O-CG1 3.28Å; H241-I245 WeakPolarHBondContact O-CG1 3.3Å; H241-I245 PolarHBondContact O-N 3.34Å
242K57.6Low55.6Low107 Ų10784.9 Ų84.947%0.46543%0.425SS..Hα-helixtrans-60.2-44174-78.4179.6175.2179.80112.3L238 H239 I245 R246L238-K242 HydrophobicContact CG-CD 4.33Å; L238-K242 WeakPolarHBondContact O-CB 3.28Å; L238-K242 WeakPolarHBondContact O-CG 3.35Å; L238-K242 PolarHBondContact O-N 3.22Å; H239-K242 PolarHBondContact O-N 2.88Å; K242-I245 PolarHBondContact O-N 3.04Å; K242-R246 WeakPolarHBondContact O-CB 3.47Å; K242-R246 PolarHBondContact O-N 3.2Å
243T56.7Low54.3Low46 Ų4689.8 Ų89.828%0.28245%0.452SS..Hα-helixtrans-64.8-45.4179.2-55.60000111.2A198 H239 R240 H241 R246 A247A198-T243 HydrophobicContact CB-CG2 4.45Å; H239-T243 WeakPolarHBondContact O-CB 3.34Å; H239-T243 PolarHBondContact O-N 3.43Å; H239-T243 PolarHBondContact O-OG1 3.11Å; R240-T243 PolarHBondContact O-N 3.45Å; H241-T243 PolarHBondContact O-N 2.79Å; T243-R246 PolarHBondContact O-N 3.01Å; T243-A247 WeakPolarHBondContact O-CB 3.35Å; T243-A247 PolarHBondContact O-N 2.97Å
244V51.7Low53.6Low85 Ų8590 Ų9052%0.51546%0.461SS..Hα-helixtrans-64-41.8175.7172.80000110.8R240 H241 A247 C248R240-V244 VanDerWaalsContact O-CG2 3.3Å; R240-V244 WeakPolarHBondContact O-CG2 3.4Å; R240-V244 PolarHBondContact O-N 2.88Å; H241-V244 PolarHBondContact O-N 3.31Å; V244-A247 PolarHBondContact O-N 3.44Å; V244-C248 VanDerWaalsContact O-CB 3.24Å; V244-C248 WeakPolarHBondContact O-CB 3.47Å; V244-C248 PolarHBondContact O-N 3.33Å; V244-C248 PolarHBondContact O-SG 2.99Å
245I53.8Low52.7Low52 Ų5296.8 Ų96.827%0.26749%0.485SS..Hα-helixtrans-62.8-42.4174.2-75.1176.7000111.1H241 K242 C248 R249H241-I245 VanDerWaalsContact CD2-CD1 3.45Å; H241-I245 WeakPolarHBondContact CD2-CD1 3.46Å; H241-I245 WeakPolarHBondContact NE2-CD1 3.4Å; H241-I245 WeakPolarHBondContact O-CB 3.43Å; H241-I245 VanDerWaalsContact O-CG1 3.28Å; H241-I245 WeakPolarHBondContact O-CG1 3.3Å; H241-I245 PolarHBondContact O-N 3.34Å; K242-I245 PolarHBondContact O-N 3.04Å; I245-C248 CarbonylContact O-C 3.57Å; I245-C248 PolarHBondContact O-N 3.39Å; I245-R249 HydrophobicContact CG2-CG 3.92Å; I245-R249 WeakPolarHBondContact O-CA 3.47Å; I245-R249 WeakPolarHBondContact O-CB 3.44Å; I245-R249 WeakPolarHBondContact O-CG 3.44Å; I245-R249 PolarHBondContact O-N 2.91Å
246R56Low51.6Low142 Ų142100.6 Ų100.654%0.53650%0.5SS..Hα-helixtrans-62.3-45.3177.4-173.1177.1178.9-177.7-1.5111K242 T243 C248 R249 G250 D367 D370K242-R246 WeakPolarHBondContact O-CB 3.47Å; K242-R246 PolarHBondContact O-N 3.2Å; T243-R246 PolarHBondContact O-N 3.01Å; R246-C248 PolarHBondContact O-N 3.36Å; R246-R249 PolarHBondContact O-N 3.25Å; R246-G250 PolarHBondContact O-N 3.34Å; R246-D367 IonicContact NH1-OD2 3.99Å; R246-D370 IonicContact NH2-OD1 3.33Å; R246-D370 PolarHBondContact NH2-OD1 3.35Å; R246-D370 IonicContact NH2-OD2 2.85Å; R246-D370 PolarHBondContact NH2-OD2 3.16Å
247A48.5Very low50.9Low57 Ų57104.4 Ų104.447%0.47153%0.529SS..Hα-helixtrans-63.4-39.7175.100000112.4A195 T243 V244A195-A247 HydrophobicContact CB-CB 4.43Å; T243-A247 WeakPolarHBondContact O-CB 3.35Å; T243-A247 PolarHBondContact O-N 2.97Å; V244-A247 PolarHBondContact O-N 3.44Å
248C44Very low50.8Low64 Ų64104.4 Ų104.443%0.43253%0.533SS..Hα-helixtrans-78.9-23.7177.9-69.50000113.8V244 I245 R246 R251V244-C248 VanDerWaalsContact O-CB 3.24Å; V244-C248 WeakPolarHBondContact O-CB 3.47Å; V244-C248 PolarHBondContact O-N 3.33Å; V244-C248 PolarHBondContact O-SG 2.99Å; I245-C248 CarbonylContact O-C 3.57Å; I245-C248 PolarHBondContact O-N 3.39Å; R246-C248 PolarHBondContact O-N 3.36Å; C248-R251 WeakPolarHBondContact O-CB 3.44Å; C248-R251 VanDerWaalsContact O-CD 3.24Å; C248-R251 WeakPolarHBondContact O-CD 3.43Å; C248-R251 VanDerWaalsContact O-CG 3.28Å; C248-R251 WeakPolarHBondContact O-CG 3.37Å
249R49.9Very low50.6Low132 Ų132107.7 Ų107.750%0.49856%0.555SS.*Hα-helixtrans-84.6-17.2178.8-85.7-175171.6-175.8-5.3113.8I245 R246 R251 N252 S308I245-R249 HydrophobicContact CG2-CG 3.92Å; I245-R249 WeakPolarHBondContact O-CA 3.47Å; I245-R249 WeakPolarHBondContact O-CB 3.44Å; I245-R249 WeakPolarHBondContact O-CG 3.44Å; I245-R249 PolarHBondContact O-N 2.91Å; R246-R249 PolarHBondContact O-N 3.25Å; R249-R251 PolarHBondContact O-N 3.43Å; R249-N252 PolarHBondContact O-N 3.49Å; R249-S308 PolarHBondContact NH2-O 2.87Å
250G48.6Very low50.8Low64 Ų64106.3 Ų106.366%0.6656%0.556SS**THydrogen-bonded Turntrans-59.9-0.1166.300000114.2R246R246-G250 PolarHBondContact O-N 3.34Å
251R47.7Very low51.3Low176 Ų176101.6 Ų101.666%0.66454%0.539SS*.THydrogen-bonded Turntrans-76.9-8.4176.9-78177.9149168-8.1115.8C248 R249C248-R251 WeakPolarHBondContact O-CB 3.44Å; C248-R251 VanDerWaalsContact O-CD 3.24Å; C248-R251 WeakPolarHBondContact O-CD 3.43Å; C248-R251 VanDerWaalsContact O-CG 3.28Å; C248-R251 WeakPolarHBondContact O-CG 3.37Å; R249-R251 PolarHBondContact O-N 3.43Å
252N41.1Very low51.8Low141 Ų141103.8 Ų103.875%0.75456%0.56SS**SBendtrans-109.5127.1177.5-76.4-10.1000110.3R249R249-N252 PolarHBondContact O-N 3.49Å
253D42.2Very low51.9Low127 Ų127101.3 Ų101.368%0.67956%0.564SS**  trans-25.6120177.9-81.9-60.2000114.3K255 K256D253-K255 PolarHBondContact O-N 3.48Å; D253-K256 PolarHBondContact O-N 3.41Å; D253-K256 VanDerWaalsContact O-N 3.11Å
254P48.3Very low52.1Low95 Ų9599.7 Ų99.762%0.61755%0.553SS**THydrogen-bonded Turntrans-63.1-10.5176.223.7-31.3000113.3
255K40.5Very low52.7Low172 Ų172100.6 Ų100.675%0.74856%0.555SS**THydrogen-bonded Turntrans-80.7-4.9175.2-74.3-177.8178.5171.60114.9D253D253-K255 PolarHBondContact O-N 3.48Å
256K40.9Very low52.9Low184 Ų184102.4 Ų102.480%0.857%0.57SS**  trans-11484.6167.4-90.4-177.9177176.30109.8D253 L258D253-K256 PolarHBondContact O-N 3.41Å; D253-K256 VanDerWaalsContact O-N 3.11Å; K256-L258 PolarHBondContact O-N 3.33Å; K256-L258 VanDerWaalsContact O-N 3.12Å
257S49.3Very low52.9Low110 Ų110100.6 Ų100.677%0.76957%0.571SS**PPolyproline II helixtrans-52.1121.5157.657.10000107.6
258L54.6Low53.5Low110 Ų110101.4 Ų101.458%0.57657%0.57SS**PPolyproline II helixtrans-53134.2176.4-73.3164.1000108.3K256 S260 V324K256-L258 PolarHBondContact O-N 3.33Å; K256-L258 VanDerWaalsContact O-N 3.12Å; L258-S260 PolarHBondContact O-N 3.3Å; L258-S260 VanDerWaalsContact O-N 3.08Å; L258-V324 HydrophobicContact CD1-CB 4.2Å; L258-V324 HydrophobicContact CD1-CG1 4.08Å
259P59.4Low54.3Low97 Ų9799.1 Ų99.163%0.6355%0.554SS**PPolyproline II helixtrans-58.1121.1179.621.1-29.6000108.7H323P259-H323 PolarHBondContact O-CD2 3.33Å; P259-H323 VanDerWaalsContact O-CD2 3.23Å
260S63.8Low54.8Low62 Ų62100 Ų10043%0.43456%0.561SS.*PPolyproline II helixtrans-84.6149.8168.756.60000109.1L258L258-S260 PolarHBondContact O-N 3.3Å; L258-S260 VanDerWaalsContact O-N 3.08Å
261P68.7Low55.3Low4 Ų4105.6 Ų105.63%0.02657%0.567CS.*PPolyproline II helixtrans-60.7146.2176.9-10.620.2000111.7G263 H264 R279 H323 Y361P261-G263 PolarHBondContact O-N 2.81Å; P261-H264 WeakPolarHBondContact O-CB 3.12Å; P261-H264 PolarHBondContact O-N 2.78Å; P261-H264 PolarHBondContact O-ND1 2.82Å; P261-H264 VanDerWaalsContact O-ND1 3.14Å; P261-R279 VanDerWaalsContact CG-CZ 3.41Å; P261-R279 VanDerWaalsContact CG-NH2 3.28Å; P261-H323 HydrophobicContact CG-CB 4.23Å; P261-Y361 HydrophobicContact CG-CD2 3.84Å; P261-Y361 HydrophobicContact CG-CE2 4.47Å; P261-Y361 HydrophobicContact CG-CG 4.03Å
262V64.6Low55.7Low153 Ų153100.7 Ų100.793%0.92756%0.557SS**THydrogen-bonded Turntrans-53.8128.7178.8-172.70000110.5
263G59.6Low56.7Low54 Ų54102.5 Ų102.556%0.55756%0.561SS**THydrogen-bonded Turntrans92.26.9-178.300000115.9P261P261-G263 PolarHBondContact O-N 2.81Å
264H62.1Low57.6Low12 Ų1297.2 Ų97.26%0.05654%0.537CS..  trans-100.554.9176.2-6866.4000111.6P261 L269 Y361P261-H264 WeakPolarHBondContact O-CB 3.12Å; P261-H264 PolarHBondContact O-N 2.78Å; P261-H264 PolarHBondContact O-ND1 2.82Å; P261-H264 VanDerWaalsContact O-ND1 3.14Å; H264-L269 HydrophobicContact CB-CD1 3.98Å; H264-Y361 AromaticContact CD2-CD1 3.62Å; H264-Y361 AromaticContact CD2-CG 3.9Å; H264-Y361 WeakPolarHBondContact NE2-CB 3.49Å
265D63.4Low58.8Low105 Ų10595.6 Ų95.656%0.56153%0.525SS*.  trans-64.9143.9174-63.7-43.5000110.5D267 T268 L269D265-D267 PolarHBondContact O-N 3.18Å; D265-D267 VanDerWaalsContact O-N 3.08Å; D265-T268 PolarHBondContact O-N 2.88Å; D265-L269 PolarHBondContact O-N 3.04Å
266P58Low60.4Low89 Ų8988 Ų8858%0.57850%0.495SS*.Hα-helixtrans-57.1-29.4-17619.9-31.8000113.2K270P266-K270 VanDerWaalsContact O-CG 3.27Å; P266-K270 WeakPolarHBondContact O-CG 3.47Å; P266-K270 PolarHBondContact O-N 3.32Å
267D56.2Low62.4Low104 Ų10483.3 Ų83.356%0.55648%0.484SS*.Hα-helixtrans-77.6-23.1178.2-68.2-28.4000114D265 K270D265-D267 PolarHBondContact O-N 3.18Å; D265-D267 VanDerWaalsContact O-N 3.08Å; D267-K270 IonicContact OD1-NZ 3.88Å; D267-K270 PolarHBondContact OD1-NZ 2.85Å
268T60.5Low64.2Low74 Ų7482.8 Ų82.845%0.45447%0.471SS..Hα-helixtrans-80.6-39.9176.6-32.60000110.5D265 K271D265-T268 PolarHBondContact O-N 2.88Å; T268-K271 PolarHBondContact O-N 3.46Å
269L61.3Low66Low17 Ų1779.8 Ų79.89%0.08945%0.452CS..Hα-helixtrans-66.8-33.3176.1-79.8157.1000113.1H264 D265 K271 T272 Q273 G274 A363H264-L269 HydrophobicContact CB-CD1 3.98Å; D265-L269 PolarHBondContact O-N 3.04Å; L269-K271 PolarHBondContact O-N 3.35Å; L269-T272 CarbonylContact O-C 3.54Å; L269-T272 PolarHBondContact O-N 3.23Å; L269-T272 VanDerWaalsContact O-N 3.16Å; L269-T272 PolarHBondContact O-OG1 3.46Å; L269-Q273 PolarHBondContact O-N 2.96Å; L269-G274 PolarHBondContact O-N 3.49Å; L269-A363 HydrophobicContact CD1-CB 3.98Å; L269-A363 HydrophobicContact CD2-CB 4.01Å; L269-A363 HydrophobicContact CG-CB 4.45Å
270K59.3Low67.6Low149 Ų14981.3 Ų81.365%0.64845%0.449SS*.Hα-helixtrans-58.9-33.7173.1-76.4169.8-164.7164.30112.8P266 D267 T272P266-K270 VanDerWaalsContact O-CG 3.27Å; P266-K270 WeakPolarHBondContact O-CG 3.47Å; P266-K270 PolarHBondContact O-N 3.32Å; D267-K270 IonicContact OD1-NZ 3.88Å; D267-K270 PolarHBondContact OD1-NZ 2.85Å; K270-T272 VanDerWaalsContact C-N 3.33Å
271K59.5Low69.1Low182 Ų18278.9 Ų78.979%0.79143%0.431SS*.Hα-helixtrans-75.5-21.7179.7-66.3178-176.9173.40113T268 L269T268-K271 PolarHBondContact O-N 3.46Å; L269-K271 PolarHBondContact O-N 3.35Å
272T57.5Low70.3Confident73 Ų7382.2 Ų82.245%0.44845%0.452SS..THydrogen-bonded Turntrans-113.224.1-177.555.90000112.8L269 K270 G274 V275L269-T272 CarbonylContact O-C 3.54Å; L269-T272 PolarHBondContact O-N 3.23Å; L269-T272 VanDerWaalsContact O-N 3.16Å; L269-T272 PolarHBondContact O-OG1 3.46Å; K270-T272 VanDerWaalsContact C-N 3.33Å; T272-G274 VanDerWaalsContact C-N 3.26Å; T272-G274 PolarHBondContact O-N 2.92Å; T272-V275 WeakPolarHBondContact CB-O 3.27Å; T272-V275 PolarHBondContact O-N 3.1Å; T272-V275 VanDerWaalsContact O-N 3.16Å; T272-V275 PolarHBondContact OG1-O 3.2Å
273Q60.6Low71.7Confident180 Ų18075.1 Ų75.184%0.84141%0.408SS*.THydrogen-bonded Turntrans53.141.1179.9-60.7178.1-2.200112.9L269 V275L269-Q273 PolarHBondContact O-N 2.96Å; Q273-V275 VanDerWaalsContact C-N 3.3Å; Q273-V275 PolarHBondContact O-N 3.4Å
274G62.2Low73.3Confident16 Ų1678.3 Ų78.317%0.16541%0.412CS..THydrogen-bonded Turntrans77.86.7176.900000115.1L269 T272 A363L269-G274 PolarHBondContact O-N 3.49Å; T272-G274 VanDerWaalsContact C-N 3.26Å; T272-G274 PolarHBondContact O-N 2.92Å; G274-A363 WeakPolarHBondContact O-CB 3.4Å; G274-A363 PolarHBondContact O-N 3.45Å
275V72.1Confident74.7Confident60 Ų6078.2 Ų78.236%0.36441%0.412SS..EExtended strand (participates in β ladder)trans-108.8123.7179.7-175.50000110.7T272 Q273 V360T272-V275 WeakPolarHBondContact CB-O 3.27Å; T272-V275 PolarHBondContact O-N 3.1Å; T272-V275 VanDerWaalsContact O-N 3.16Å; T272-V275 PolarHBondContact OG1-O 3.2Å; Q273-V275 VanDerWaalsContact C-N 3.3Å; Q273-V275 PolarHBondContact O-N 3.4Å; V275-V360 HydrophobicContact CG1-CG1 4.34Å; V275-V360 HydrophobicContact CG1-CG2 3.41Å; V275-V360 VanDerWaalsContact CG1-CG2 3.41Å
276G75.4Confident75.9Confident13 Ų1378.3 Ų78.313%0.13441%0.409CS..EExtended strand (participates in β ladder)trans-75.8179.8177.400000114.2V360 Y361G276-V360 WeakPolarHBondContact O-CG2 3.11Å; G276-Y361 PolarHBondContact N-O 2.95Å
277P82.6Confident77.2Confident85 Ų8580.2 Ų80.255%0.55241%0.414SS*.EExtended strand (participates in β ladder)trans-68.3154.5169.228.9-35.4000112R279P277-R279 PolarHBondContact O-N 3.2Å
278I87.4Confident78.5Confident99 Ų9982.8 Ų82.851%0.50842%0.422SS..EExtended strand (participates in β ladder)trans-68.3130.4173.1-59.8176000109.3L329 V359I278-L329 HydrophobicContact CD1-CD1 3.83Å; I278-L329 HydrophobicContact CG1-CD1 3.82Å; I278-L329 HydrophobicContact CG2-CD1 4.14Å; I278-V359 CarbonylContact C-O 3.53Å; I278-V359 WeakPolarHBondContact CA-O 3.43Å
279R91.8Very high79.7Confident47 Ų4780.5 Ų80.518%0.17741%0.407CS..EExtended strand (participates in β ladder)trans-118.3140.6179.3-60.8-174.7-67.8126.65.8110.2P261 P277 G321 H323 D326 E358 V359P261-R279 VanDerWaalsContact CG-CZ 3.41Å; P261-R279 VanDerWaalsContact CG-NH2 3.28Å; P277-R279 PolarHBondContact O-N 3.2Å; R279-G321 PolarHBondContact NH1-O 2.91Å; R279-H323 PolarHBondContact NH1-ND1 3.44Å; R279-D326 IonicContact CZ-OD1 3.88Å; R279-D326 IonicContact CZ-OD2 3.22Å; R279-D326 IonicContact NH2-OD1 2.59Å; R279-D326 PolarHBondContact NH2-OD1 3.22Å; R279-D326 IonicContact NH2-OD2 2.86Å; R279-D326 PolarHBondContact NH2-OD2 3.37Å; R279-E358 WeakPolarHBondContact O-CA 3.38Å; R279-V359 HydrophobicContact CB-CG2 4.12Å; R279-V359 PolarHBondContact N-O 3Å; R279-V359 PolarHBondContact O-N 3.17Å
280K93.6Very high81.1Confident129 Ų12981.6 Ų81.656%0.56142%0.422SS*.EExtended strand (participates in β ladder)trans-97.9122.4169.3-78.6168.1175.3-85.80108.8E356 F357 E358K280-E356 WeakPolarHBondContact CD-OE1 3.37Å; K280-E356 IonicContact NZ-OE1 2.88Å; K280-E356 PolarHBondContact NZ-OE1 3.43Å; K280-F357 CarbonylContact C-O 3.59Å; K280-F357 VanDerWaalsContact CA-O 3.28Å; K280-F357 WeakPolarHBondContact CA-O 3.49Å; K280-E358 VanDerWaalsContact CE-OE1 3.25Å; K280-E358 WeakPolarHBondContact CE-OE1 3.34Å; K280-E358 HydrophobicContact CG-CG 4Å; K280-E358 IonicContact NZ-OE1 3.73Å; K280-E358 PolarHBondContact NZ-OE1 3.46Å
281V94.4Very high82.6Confident11 Ų1175.4 Ų75.47%0.06740%0.396CS..EExtended strand (participates in β ladder)trans-122.6124.4-178.6-179.60000108.5G321 L322 F357 V359V281-G321 WeakPolarHBondContact CG2-O 3.44Å; V281-L322 HydrophobicContact CB-CD2 4.06Å; V281-L322 HydrophobicContact CG1-CD2 4.04Å; V281-L322 HydrophobicContact CG1-CG 3.98Å; V281-L322 HydrophobicContact CG2-CD2 4.24Å; V281-F357 HydrophobicContact CB-CB 4.36Å; V281-F357 PolarHBondContact N-O 3.3Å; V281-F357 PolarHBondContact O-N 3Å; V281-V359 HydrophobicContact CG2-CG2 4.04Å
282V95Very high84.2Confident75 Ų7567.2 Ų67.246%0.45536%0.363SS..EExtended strand (participates in β ladder)trans-104.2127.5176.7179.40000108.2Q354 I355 E356V282-Q354 HydrophobicContact CG1-CG 3.64Å; V282-I355 WeakPolarHBondContact CA-O 3.43Å; V282-E356 HydrophobicContact CG2-CB 4.48Å; V282-E356 HydrophobicContact CG2-CG 4.29Å
283L94.3Very high85.8Confident3 Ų365.1 Ų65.12%0.01635%0.349CS..EExtended strand (participates in β ladder)trans-125.4153.7170.568.882.5000110.8K285 L291 P315 A316 C319 L322 I355 F357L283-K285 HydrophobicContact CD1-CB 4.28Å; L283-L291 HydrophobicContact CD1-CD2 3.79Å; L283-L291 HydrophobicContact CD2-CD2 4.37Å; L283-P315 HydrophobicContact CD1-CB 4.07Å; L283-A316 HydrophobicContact CD2-CB 4.49Å; L283-C319 HydrophobicContact CB-CB 3.61Å; L283-L322 HydrophobicContact CD2-CD1 3.66Å; L283-I355 HydrophobicContact CD1-CB 4.06Å; L283-I355 HydrophobicContact CD1-CD1 4Å; L283-I355 HydrophobicContact CD1-CG1 4.35Å; L283-I355 HydrophobicContact CG-CB 4.33Å; L283-I355 PolarHBondContact N-O 3.16Å; L283-I355 PolarHBondContact O-N 3.13Å; L283-F357 HydrophobicContact CD1-CE2 4.35Å; L283-F357 HydrophobicContact CD2-CD2 3.89Å; L283-F357 HydrophobicContact CD2-CE2 3.4Å; L283-F357 HydrophobicContact CD2-CZ 4.19Å; L283-F357 HydrophobicContact CG-CD2 4.17Å; L283-F357 HydrophobicContact CG-CE2 3.77Å
284L92.4Very high87.1Confident122 Ų12258.4 Ų58.464%0.63932%0.322SS*.EExtended strand (participates in β ladder)trans-110.3128.4177.5-168.375.6000109Q354L284-Q354 HydrophobicContact CD1-CB 4.23Å
285K90.8Very high88.2Confident10 Ų1059 Ų594%0.04332%0.32CS..EExtended strand (participates in β ladder)trans-123.8125-178.8175.3-170.9166.4-167.30110.2L283 E289 L291 P315 Q351 R352 G353 I355L283-K285 HydrophobicContact CD1-CB 4.28Å; K285-E289 WeakPolarHBondContact CA-OE1 3.27Å; K285-E289 WeakPolarHBondContact CE-O 3.3Å; K285-E289 HydrophobicContact CG-CG 4.05Å; K285-L291 HydrophobicContact CD-CD2 4.11Å; K285-L291 HydrophobicContact CD-CG 4.31Å; K285-P315 HydrophobicContact CB-CG 4.48Å; K285-Q351 PolarHBondContact NZ-O 3.13Å; K285-R352 VanDerWaalsContact NZ-NH1 3.2Å; K285-G353 PolarHBondContact N-O 3.34Å; K285-G353 WeakPolarHBondContact O-CA 3.24Å; K285-G353 PolarHBondContact O-N 3.28Å; K285-I355 HydrophobicContact CB-CD1 3.92Å; K285-I355 HydrophobicContact CD-CD1 3.86Å
286E89.3Confident88.7Confident106 Ų10658 Ų5850%0.49532%0.315SS..  trans-75.9158.4170.8-58.5-175.8-175.100111.7H288 E289E286-H288 PolarHBondContact O-N 2.87Å; E286-H288 IonicContact OE2-CE1 3.33Å; E286-H288 PolarHBondContact OE2-CE1 3.38Å; E286-H288 IonicContact OE2-ND1 2.68Å; E286-H288 IonicContact OE2-NE2 3.52Å; E286-E289 HydrophobicContact CB-CG 3.92Å; E286-E289 PolarHBondContact N-OE1 3.4Å; E286-E289 WeakPolarHBondContact O-CG 3.47Å; E286-E289 PolarHBondContact O-N 2.73Å
287D84.4Confident89.1Confident129 Ų12958 Ų5869%0.6931%0.314SS*.THydrogen-bonded Turntrans-65-26.5-171.1-70.9-32.9000114.1
288H84.2Confident88.7Confident159 Ų15954 Ų5474%0.73629%0.289SS*.THydrogen-bonded Turntrans-96.4-7-175.867.2-88.9000114.2E286E286-H288 PolarHBondContact O-N 2.87Å; E286-H288 IonicContact OE2-CE1 3.33Å; E286-H288 PolarHBondContact OE2-CE1 3.38Å; E286-H288 IonicContact OE2-ND1 2.68Å; E286-H288 IonicContact OE2-NE2 3.52Å
289E86Confident88.2Confident26 Ų2654.8 Ų54.812%0.12129%0.289CS..SBendtrans-103.6155.1-179.966.2-178.4173.900112.5K285 E286 P315 R318K285-E289 WeakPolarHBondContact CA-OE1 3.27Å; K285-E289 WeakPolarHBondContact CE-O 3.3Å; K285-E289 HydrophobicContact CG-CG 4.05Å; E286-E289 HydrophobicContact CB-CG 3.92Å; E286-E289 PolarHBondContact N-OE1 3.4Å; E286-E289 WeakPolarHBondContact O-CG 3.47Å; E286-E289 PolarHBondContact O-N 2.73Å; E289-P315 HydrophobicContact CG-CG 3.81Å; E289-P315 VanDerWaalsContact OE1-CG 3.28Å; E289-P315 WeakPolarHBondContact OE1-CG 3.47Å; E289-P315 WeakPolarHBondContact OE2-CD 3.34Å; E289-P315 WeakPolarHBondContact OE2-CG 3.49Å; E289-R318 VanDerWaalsContact CD-NH2 3.26Å; E289-R318 IonicContact OE1-CZ 2.8Å; E289-R318 IonicContact OE1-NH2 3.99Å; E289-R318 PolarHBondContact OE1-NH2 3.18Å; E289-R318 IonicContact OE2-CZ 3.5Å; E289-R318 IonicContact OE2-NH1 3.53Å; E289-R318 PolarHBondContact OE2-NH1 2.8Å; E289-R318 IonicContact OE2-NH2 3.53Å; E289-R318 PolarHBondContact OE2-NH2 2.91Å
290G89.7Confident87.1Confident40 Ų4056 Ų5641%0.41230%0.296SS..  trans-82172.8171.300000111.3G292 P315G290-G292 PolarHBondContact O-N 2.97Å; G290-P315 WeakPolarHBondContact O-CD 3.38Å; G290-P315 VanDerWaalsContact O-CG 3.24Å; G290-P315 WeakPolarHBondContact O-CG 3.38Å
291L92Very high85.6Confident18 Ų1853.9 Ų53.99%0.09429%0.288CS..  trans-66.8-27.3172.6-78.5168.2000112.7L283 K285 I293 A316 L348 I355 F357L283-L291 HydrophobicContact CD1-CD2 3.79Å; L283-L291 HydrophobicContact CD2-CD2 4.37Å; K285-L291 HydrophobicContact CD-CD2 4.11Å; K285-L291 HydrophobicContact CD-CG 4.31Å; L291-I293 HydrophobicContact CB-CG1 4.09Å; L291-I293 HydrophobicContact CD1-CD1 4.45Å; L291-A316 WeakPolarHBondContact O-CB 3.49Å; L291-A316 PolarHBondContact O-N 3.25Å; L291-L348 HydrophobicContact CD1-CB 3.91Å; L291-L348 HydrophobicContact CD1-CD2 4.33Å; L291-L348 WeakPolarHBondContact CD1-O 3.01Å; L291-I355 HydrophobicContact CD2-CD1 3.61Å; L291-F357 HydrophobicContact CD1-CZ 4.33Å; L291-F357 HydrophobicContact CD2-CE2 4.36Å; L291-F357 HydrophobicContact CD2-CZ 4.11Å
292G91.9Very high83.8Confident10 Ų1056.9 Ų56.910%0.10332%0.321CS..  trans77.925.4-176.300000114.6G290 H311 Q314G290-G292 PolarHBondContact O-N 2.97Å; G292-H311 PolarHBondContact O-N 2.92Å; G292-Q314 VanDerWaalsContact CA-CB 3.49Å
293I91.3Very high82.6Confident30 Ų3054.6 Ų54.615%0.15431%0.307CS..EExtended strand (participates in β ladder)trans-122.2145.3174.861.3-179.9000110.4L291 I295 I307 E309 I310 A316 L322 I328L291-I293 HydrophobicContact CB-CG1 4.09Å; L291-I293 HydrophobicContact CD1-CD1 4.45Å; I293-I295 HydrophobicContact CD1-CG2 3.92Å; I293-I295 HydrophobicContact CG1-CG2 4.16Å; I293-I307 HydrophobicContact CB-CG2 4.39Å; I293-I307 HydrophobicContact CG2-CD1 4.48Å; I293-I307 HydrophobicContact CG2-CG2 4.34Å; I293-E309 WeakPolarHBondContact CA-O 3.23Å; I293-I310 HydrophobicContact CG2-CG1 4.4Å; I293-A316 HydrophobicContact CG2-CB 3.24Å; I293-L322 HydrophobicContact CG2-CD1 4.35Å; I293-I328 HydrophobicContact CD1-CD1 4.13Å
294S87.8Confident81.9Confident38 Ų3857.1 Ų57.127%0.26632%0.324SS..EExtended strand (participates in β ladder)trans-99.7136.7160.5-60.90000108.7S308 E309 H311S294-S308 VanDerWaalsContact C-OG 3.3Å; S294-S308 VanDerWaalsContact CB-OG 3.25Å; S294-S308 WeakPolarHBondContact CB-OG 3.41Å; S294-S308 PolarHBondContact O-N 2.99Å; S294-S308 PolarHBondContact O-OG 3.12Å; S294-S308 VanDerWaalsContact O-OG 3.1Å; S294-E309 PolarHBondContact N-O 3.14Å; S294-H311 PolarHBondContact OG-NE2 2.9Å
295I86.9Confident81.7Confident28 Ų2851.4 Ų51.414%0.14429%0.294CS..EExtended strand (participates in β ladder)trans-115.9151.3178.768.1179000110.8I293 I305 L306 I328 H341 A344 V345 L348I293-I295 HydrophobicContact CD1-CG2 3.92Å; I293-I295 HydrophobicContact CG1-CG2 4.16Å; I295-I305 HydrophobicContact CB-CG2 4.12Å; I295-I305 HydrophobicContact CD1-CG2 4.05Å; I295-I305 HydrophobicContact CG2-CG2 4.35Å; I295-L306 CarbonylContact C-O 3.56Å; I295-L306 VanDerWaalsContact CA-O 3.23Å; I295-L306 WeakPolarHBondContact CA-O 3.49Å; I295-I328 HydrophobicContact CG2-CD1 4.17Å; I295-H341 PolarHBondContact O-CE1 2.94Å; I295-A344 HydrophobicContact CD1-CB 4.28Å; I295-V345 HydrophobicContact CD1-CG2 3.76Å; I295-V345 HydrophobicContact CG1-CG2 4.29Å; I295-L348 HydrophobicContact CD1-CD1 3.65Å; I295-L348 HydrophobicContact CG2-CD1 4.19Å
296T82.8Confident81.4Confident40 Ų4052.8 Ų52.825%0.24530%0.302CS..EExtended strand (participates in β ladder)trans-137168.2174.951.80000109.6I305 L306T296-I305 WeakPolarHBondContact O-CA 3.33Å; T296-L306 PolarHBondContact N-O 2.94Å; T296-L306 PolarHBondContact O-N 3.22Å
297G82.4Confident81.4Confident12 Ų1247.9 Ų47.912%0.12428%0.279CS..EExtended strand (participates in β ladder)trans83.2-166.9-179.300000113.8H341G297-H341 VanDerWaalsContact O-CB 3.27Å; G297-H341 WeakPolarHBondContact O-CB 3.45Å; G297-H341 PolarHBondContact O-ND1 3.31Å
298G74.9Confident81.2Confident1 Ų142.9 Ų42.91%0.0125%0.254CS..EExtended strand (participates in β ladder)trans139.7155.4-169.400000111.3E300 H301 G302 V303G298-E300 VanDerWaalsContact C-OE2 3.27Å; G298-E300 WeakPolarHBondContact CA-OE2 3.35Å; G298-E300 PolarHBondContact O-N 2.88Å; G298-H301 CarbonylContact O-C 3.49Å; G298-H301 WeakPolarHBondContact O-CA 3.26Å; G298-H301 WeakPolarHBondContact O-CB 3.36Å; G298-H301 PolarHBondContact O-N 3.24Å; G298-G302 PolarHBondContact O-N 2.82Å; G298-V303 CarbonylContact C-O 3.51Å; G298-V303 WeakPolarHBondContact CA-O 3.3Å; G298-V303 PolarHBondContact N-O 2.87Å; G298-V303 PolarHBondContact O-N 3.08Å
299K76.5Confident81.2Confident117 Ų11740.1 Ų40.151%0.50924%0.241SC..G310 helixtrans-55.2-35.7-178.2178.6167.7-176.6154.80113.6H301 G302 D338 A339K299-H301 PolarHBondContact O-N 3.38Å; K299-G302 PolarHBondContact O-N 3.1Å; K299-G302 VanDerWaalsContact O-N 3.15Å; K299-D338 HydrophobicContact CD-CB 4.12Å; K299-D338 WeakPolarHBondContact CD-O 3.48Å; K299-D338 IonicContact NZ-OD1 2.74Å; K299-D338 PolarHBondContact NZ-OD1 3.02Å; K299-A339 PolarHBondContact N-O 3.35Å
300E68.4Low81.2Confident73 Ų7340.4 Ų40.434%0.34124%0.244SC..G310 helixtrans-64.7-17176.469.3-88.5-129.900113.6G298 K340 H341G298-E300 VanDerWaalsContact C-OE2 3.27Å; G298-E300 WeakPolarHBondContact CA-OE2 3.35Å; G298-E300 PolarHBondContact O-N 2.88Å; E300-K340 WeakPolarHBondContact OE2-CA 3.31Å; E300-K340 WeakPolarHBondContact OE2-CB 3.23Å; E300-H341 VanDerWaalsContact OE1-CB 3.26Å; E300-H341 WeakPolarHBondContact OE1-CB 3.39Å; E300-H341 PolarHBondContact OE1-N 3.49Å; E300-H341 PolarHBondContact OE2-N 2.9Å
301H62.6Low81Confident84 Ų8442 Ų4239%0.38924%0.24SC..G310 helixtrans-107.93.4178-56.3-53.4000112.6G298 K299 V303G298-H301 CarbonylContact O-C 3.49Å; G298-H301 WeakPolarHBondContact O-CA 3.26Å; G298-H301 WeakPolarHBondContact O-CB 3.36Å; G298-H301 PolarHBondContact O-N 3.24Å; K299-H301 PolarHBondContact O-N 3.38Å; H301-V303 HydrophobicContact CB-CG2 3.69Å; H301-V303 PolarHBondContact O-N 2.95Å
302G56.9Low80.7Confident74 Ų7445.7 Ų45.776%0.76327%0.265SS*.THydrogen-bonded Turntrans65.116.3-178.900000114.5G298 K299G298-G302 PolarHBondContact O-N 2.82Å; K299-G302 PolarHBondContact O-N 3.1Å; K299-G302 VanDerWaalsContact O-N 3.15Å
303V70Confident80.5Confident26 Ų2651.2 Ų51.216%0.15829%0.292CS..EExtended strand (participates in β ladder)trans-127.2144.7-178.6-73.70000110.5L238 G298 H301L238-V303 HydrophobicContact CD1-CG1 4.2Å; L238-V303 HydrophobicContact CD1-CG2 4.14Å; L238-V303 HydrophobicContact CD2-CG1 3.77Å; G298-V303 CarbonylContact C-O 3.51Å; G298-V303 WeakPolarHBondContact CA-O 3.3Å; G298-V303 PolarHBondContact N-O 2.87Å; G298-V303 PolarHBondContact O-N 3.08Å; H301-V303 HydrophobicContact CB-CG2 3.69Å; H301-V303 PolarHBondContact O-N 2.95Å
304P78.9Confident80.6Confident56 Ų5653 Ų5336%0.36430%0.3SS..EExtended strand (participates in β ladder)trans-64.9163.8176.528.8-34.6000111.2L306 A327P304-L306 HydrophobicContact CG-CD1 4.46Å; P304-L306 HydrophobicContact CG-CD2 4.46Å; P304-L306 HydrophobicContact CG-CG 4.24Å; P304-L306 PolarHBondContact O-N 2.95Å; P304-L306 VanDerWaalsContact O-N 3.17Å; P304-A327 HydrophobicContact CB-CB 4.08Å; P304-A327 HydrophobicContact CG-CB 4.04Å
305I87.7Confident80.9Confident2 Ų251.2 Ų51.21%0.0129%0.288CS..EExtended strand (participates in β ladder)trans-68.2111.5172.7-57.6-61.8000108.6I295 T296 A327 I328 A344I295-I305 HydrophobicContact CB-CG2 4.12Å; I295-I305 HydrophobicContact CD1-CG2 4.05Å; I295-I305 HydrophobicContact CG2-CG2 4.35Å; T296-I305 WeakPolarHBondContact O-CA 3.33Å; I305-A327 CarbonylContact O-C 3.58Å; I305-A327 WeakPolarHBondContact O-CA 3.36Å; I305-I328 HydrophobicContact CG2-CB 4.41Å; I305-I328 HydrophobicContact CG2-CD1 4.22Å; I305-I328 PolarHBondContact O-N 2.86Å; I305-A344 HydrophobicContact CD1-CB 3.45Å; I305-A344 VanDerWaalsContact CD1-CB 3.45Å; I305-A344 HydrophobicContact CG1-CB 3.67Å; I305-A344 HydrophobicContact CG2-CB 4.21Å
306L86.1Confident81.2Confident40 Ų4050 Ų5021%0.20928%0.281CS..EExtended strand (participates in β ladder)trans-112.6140.8-173.8-73.5159.4000111.7I295 T296 P304 S308 D326 A327 V362I295-L306 CarbonylContact C-O 3.56Å; I295-L306 VanDerWaalsContact CA-O 3.23Å; I295-L306 WeakPolarHBondContact CA-O 3.49Å; T296-L306 PolarHBondContact N-O 2.94Å; T296-L306 PolarHBondContact O-N 3.22Å; P304-L306 HydrophobicContact CG-CD1 4.46Å; P304-L306 HydrophobicContact CG-CD2 4.46Å; P304-L306 HydrophobicContact CG-CG 4.24Å; P304-L306 PolarHBondContact O-N 2.95Å; P304-L306 VanDerWaalsContact O-N 3.17Å; L306-S308 PolarHBondContact O-N 2.93Å; L306-D326 CarbonylContact C-O 3.2Å; L306-D326 WeakPolarHBondContact CA-O 3.49Å; L306-A327 HydrophobicContact CD2-CB 3.74Å; L306-V362 HydrophobicContact CD2-CB 4.3Å; L306-V362 HydrophobicContact CD2-CG2 4.2Å
307I88.8Confident81.6Confident2 Ų251.5 Ų51.51%0.0129%0.288CS..EExtended strand (participates in β ladder)trans-75.1111.9170.6-58.6-177.2000109I293 I310 L322 G325 D326 I328I293-I307 HydrophobicContact CB-CG2 4.39Å; I293-I307 HydrophobicContact CG2-CD1 4.48Å; I293-I307 HydrophobicContact CG2-CG2 4.34Å; I307-I310 HydrophobicContact CG2-CD1 4.28Å; I307-I310 HydrophobicContact CG2-CG1 3.74Å; I307-L322 HydrophobicContact CD1-CB 4.08Å; I307-L322 HydrophobicContact CD1-CD1 4.14Å; I307-L322 HydrophobicContact CD1-CD2 4.01Å; I307-L322 HydrophobicContact CD1-CG 4.3Å; I307-G325 PolarHBondContact O-N 3.32Å; I307-D326 HydrophobicContact CD1-CB 4.03Å; I307-D326 HydrophobicContact CG1-CB 4.36Å; I307-D326 PolarHBondContact N-O 3.38Å; I307-I328 HydrophobicContact CD1-CD1 4.38Å; I307-I328 HydrophobicContact CD1-CG1 4.37Å; I307-I328 HydrophobicContact CG1-CD1 3.97Å; I307-I328 HydrophobicContact CG1-CG1 4.07Å
308S80.7Confident82Confident24 Ų2457 Ų5717%0.16831%0.305CS..EExtended strand (participates in β ladder)trans-91.3-25.3-179.860.80000113.4R249 S294 L306R249-S308 PolarHBondContact NH2-O 2.87Å; S294-S308 VanDerWaalsContact C-OG 3.3Å; S294-S308 VanDerWaalsContact CB-OG 3.25Å; S294-S308 WeakPolarHBondContact CB-OG 3.41Å; S294-S308 PolarHBondContact O-N 2.99Å; S294-S308 PolarHBondContact O-OG 3.12Å; S294-S308 VanDerWaalsContact O-OG 3.1Å; L306-S308 PolarHBondContact O-N 2.93Å
309E82.3Confident82.8Confident102 Ų10258.9 Ų58.948%0.47732%0.318SS..EExtended strand (participates in β ladder)trans-157.1147.4-179.5-167.8-179.7-156.900110I293 S294 H311I293-E309 WeakPolarHBondContact CA-O 3.23Å; S294-E309 PolarHBondContact N-O 3.14Å; E309-H311 IonicContact OE2-CD2 2.92Å; E309-H311 IonicContact OE2-NE2 3.92Å; E309-H311 PolarHBondContact OE2-NE2 2.98Å; E309-H311 VanDerWaalsContact OE2-NE2 3.13Å
310I86.1Confident83.3Confident32 Ų3255.9 Ų55.916%0.16432%0.32CS..EExtended strand (participates in β ladder)trans-120126.3171.3-62.2178.4000107.5I293 I307 A316 D317 L322 V324I293-I310 HydrophobicContact CG2-CG1 4.4Å; I307-I310 HydrophobicContact CG2-CD1 4.28Å; I307-I310 HydrophobicContact CG2-CG1 3.74Å; I310-A316 HydrophobicContact CG2-CB 4.21Å; I310-D317 HydrophobicContact CG2-CB 3.79Å; I310-L322 VanDerWaalsContact CD1-C 3.47Å; I310-L322 HydrophobicContact CD1-CB 4.1Å; I310-L322 WeakPolarHBondContact CD1-O 3.35Å; I310-V324 HydrophobicContact CD1-CG2 4.38Å; I310-V324 HydrophobicContact CG1-CG2 4.06Å
311H86.4Confident84.2Confident72 Ų7253.2 Ų53.233%0.33331%0.311SS..  trans-87128.8-173.2-72.3-143000109.6G292 S294 E309 Q314 D317G292-H311 PolarHBondContact O-N 2.92Å; S294-H311 PolarHBondContact OG-NE2 2.9Å; E309-H311 IonicContact OE2-CD2 2.92Å; E309-H311 IonicContact OE2-NE2 3.92Å; E309-H311 PolarHBondContact OE2-NE2 2.98Å; E309-H311 VanDerWaalsContact OE2-NE2 3.13Å; H311-Q314 HydrophobicContact CB-CB 4.23Å; H311-Q314 HydrophobicContact CB-CG 3.79Å; H311-Q314 WeakPolarHBondContact O-CB 3.23Å; H311-Q314 PolarHBondContact O-N 2.92Å; H311-D317 VanDerWaalsContact O-CB 3.31Å; H311-D317 WeakPolarHBondContact O-CB 3.35Å
312P86.5Confident85.6Confident96 Ų9649.5 Ų49.562%0.62330%0.295SS*.THydrogen-bonded Turntrans-62.2142.8-174.525.1-34000111.9Q314 D317P312-Q314 PolarHBondContact O-N 3.44Å; P312-D317 WeakPolarHBondContact CA-OD2 3.19Å
313N87.4Confident86.9Confident126 Ų12647.4 Ų47.467%0.67427%0.265SS*.THydrogen-bonded Turntrans64.56.6-179.5-52-60.7000115.9D317 R318N313-D317 PolarHBondContact N-OD2 3.03Å; N313-R318 PolarHBondContact O-NH1 3.42Å
314Q92.4Very high87.6Confident67 Ų6747.5 Ų47.531%0.31327%0.265SS..SBendtrans-91.4166.3175.7-65.9-68.8-38.400111.5G292 H311 P312 A316 D317 R318G292-Q314 VanDerWaalsContact CA-CB 3.49Å; H311-Q314 HydrophobicContact CB-CB 4.23Å; H311-Q314 HydrophobicContact CB-CG 3.79Å; H311-Q314 WeakPolarHBondContact O-CB 3.23Å; H311-Q314 PolarHBondContact O-N 2.92Å; P312-Q314 PolarHBondContact O-N 3.44Å; Q314-A316 VanDerWaalsContact C-N 3.28Å; Q314-A316 PolarHBondContact O-N 3.09Å; Q314-A316 VanDerWaalsContact O-N 3.12Å; Q314-D317 WeakPolarHBondContact O-CB 3.42Å; Q314-D317 PolarHBondContact O-N 3.37Å; Q314-R318 WeakPolarHBondContact O-CG 3.42Å; Q314-R318 PolarHBondContact O-N 3.43Å
315P93.6Very high87.5Confident2 Ų245.7 Ų45.71%0.01326%0.257CS..Hα-helixtrans-48.8-42.9-175.1-34.439.7000115.7L283 K285 E289 G290 R318 C319L283-P315 HydrophobicContact CD1-CB 4.07Å; K285-P315 HydrophobicContact CB-CG 4.48Å; E289-P315 HydrophobicContact CG-CG 3.81Å; E289-P315 VanDerWaalsContact OE1-CG 3.28Å; E289-P315 WeakPolarHBondContact OE1-CG 3.47Å; E289-P315 WeakPolarHBondContact OE2-CD 3.34Å; E289-P315 WeakPolarHBondContact OE2-CG 3.49Å; G290-P315 WeakPolarHBondContact O-CD 3.38Å; G290-P315 VanDerWaalsContact O-CG 3.24Å; G290-P315 WeakPolarHBondContact O-CG 3.38Å; P315-R318 PolarHBondContact O-N 2.88Å; P315-C319 WeakPolarHBondContact O-CB 3.33Å; P315-C319 PolarHBondContact O-N 3.49Å
316A92.9Very high87.5Confident1 Ų145.6 Ų45.61%0.00826%0.256CS..Hα-helixtrans-66.8-33.7178.200000114L283 L291 I293 I310 Q314 C319 L322L283-A316 HydrophobicContact CD2-CB 4.49Å; L291-A316 WeakPolarHBondContact O-CB 3.49Å; L291-A316 PolarHBondContact O-N 3.25Å; I293-A316 HydrophobicContact CG2-CB 3.24Å; I310-A316 HydrophobicContact CG2-CB 4.21Å; Q314-A316 VanDerWaalsContact C-N 3.28Å; Q314-A316 PolarHBondContact O-N 3.09Å; Q314-A316 VanDerWaalsContact O-N 3.12Å; A316-C319 PolarHBondContact O-SG 2.95Å; A316-L322 HydrophobicContact CB-CD1 3.91Å
317D91.8Very high87.6Confident72 Ų7243.7 Ų43.739%0.38525%0.247SC..Hα-helixtrans-73.5-47.2173.6-173.848.2000110.7I310 H311 P312 N313 Q314 C319 G320I310-D317 HydrophobicContact CG2-CB 3.79Å; H311-D317 VanDerWaalsContact O-CB 3.31Å; H311-D317 WeakPolarHBondContact O-CB 3.35Å; P312-D317 WeakPolarHBondContact CA-OD2 3.19Å; N313-D317 PolarHBondContact N-OD2 3.03Å; Q314-D317 WeakPolarHBondContact O-CB 3.42Å; Q314-D317 PolarHBondContact O-N 3.37Å; D317-C319 PolarHBondContact O-N 2.96Å; D317-G320 PolarHBondContact O-N 3.48Å
318R92.1Very high87.9Confident129 Ų12943.7 Ų43.749%0.48725%0.247SC..Hα-helixtrans-60.7-29.5-179.6-63.7-167.1-50.1-103.67.8113.4E289 N313 Q314 P315 G320E289-R318 VanDerWaalsContact CD-NH2 3.26Å; E289-R318 IonicContact OE1-CZ 2.8Å; E289-R318 IonicContact OE1-NH2 3.99Å; E289-R318 PolarHBondContact OE1-NH2 3.18Å; E289-R318 IonicContact OE2-CZ 3.5Å; E289-R318 IonicContact OE2-NH1 3.53Å; E289-R318 PolarHBondContact OE2-NH1 2.8Å; E289-R318 IonicContact OE2-NH2 3.53Å; E289-R318 PolarHBondContact OE2-NH2 2.91Å; N313-R318 PolarHBondContact O-NH1 3.42Å; Q314-R318 WeakPolarHBondContact O-CG 3.42Å; Q314-R318 PolarHBondContact O-N 3.43Å; P315-R318 PolarHBondContact O-N 2.88Å; R318-G320 VanDerWaalsContact C-N 3.32Å
319C89.8Confident88.5Confident40 Ų4043.5 Ų43.527%0.2724%0.244SC..THydrogen-bonded Turntrans-74.2-21.9178.882.20000113.4L283 P315 A316 D317 G321L283-C319 HydrophobicContact CB-CB 3.61Å; P315-C319 WeakPolarHBondContact O-CB 3.33Å; P315-C319 PolarHBondContact O-N 3.49Å; A316-C319 PolarHBondContact O-SG 2.95Å; D317-C319 PolarHBondContact O-N 2.96Å; C319-G321 PolarHBondContact O-N 3.35Å
320G87.5Confident89.1Confident54 Ų5439.1 Ų39.156%0.55723%0.225SC*.SBendtrans60.71.7179.500000116.3D317 R318D317-G320 PolarHBondContact O-N 3.48Å; R318-G320 VanDerWaalsContact C-N 3.32Å
321G87.7Confident89.6Confident16 Ų1637.6 Ų37.617%0.16522%0.217CC..  trans-97.8-25.3-176.200000114.2R279 V281 C319 H323R279-G321 PolarHBondContact NH1-O 2.91Å; V281-G321 WeakPolarHBondContact CG2-O 3.44Å; C319-G321 PolarHBondContact O-N 3.35Å; G321-H323 PolarHBondContact O-CE1 3.01Å; G321-H323 VanDerWaalsContact O-CE1 3.3Å; G321-H323 PolarHBondContact O-ND1 3.33Å
322L90.9Very high89.9Confident7 Ų736.8 Ų36.84%0.03722%0.215CC..  trans-88.4140.6176.9-65.6-179000110.5V281 L283 I293 I307 I310 A316 F357 V359V281-L322 HydrophobicContact CB-CD2 4.06Å; V281-L322 HydrophobicContact CG1-CD2 4.04Å; V281-L322 HydrophobicContact CG1-CG 3.98Å; V281-L322 HydrophobicContact CG2-CD2 4.24Å; L283-L322 HydrophobicContact CD2-CD1 3.66Å; I293-L322 HydrophobicContact CG2-CD1 4.35Å; I307-L322 HydrophobicContact CD1-CB 4.08Å; I307-L322 HydrophobicContact CD1-CD1 4.14Å; I307-L322 HydrophobicContact CD1-CD2 4.01Å; I307-L322 HydrophobicContact CD1-CG 4.3Å; I310-L322 VanDerWaalsContact CD1-C 3.47Å; I310-L322 HydrophobicContact CD1-CB 4.1Å; I310-L322 WeakPolarHBondContact CD1-O 3.35Å; A316-L322 HydrophobicContact CB-CD1 3.91Å; L322-F357 HydrophobicContact CD2-CB 4.32Å; L322-F357 HydrophobicContact CD2-CG 4.37Å; L322-V359 HydrophobicContact CD2-CG1 3.84Å; L322-V359 HydrophobicContact CD2-CG2 4.42Å
323H85.9Confident90Very high29 Ų2937.8 Ų37.813%0.13423%0.225CC..  trans-132149-178.6-58.874.3000110.3P259 P261 R279 G321 G325 D326 Y361P259-H323 PolarHBondContact O-CD2 3.33Å; P259-H323 VanDerWaalsContact O-CD2 3.23Å; P261-H323 HydrophobicContact CG-CB 4.23Å; R279-H323 PolarHBondContact NH1-ND1 3.44Å; G321-H323 PolarHBondContact O-CE1 3.01Å; G321-H323 VanDerWaalsContact O-CE1 3.3Å; G321-H323 PolarHBondContact O-ND1 3.33Å; H323-G325 PolarHBondContact O-N 2.85Å; H323-D326 PolarHBondContact N-OD2 3.47Å; H323-D326 IonicContact ND1-OD2 3.76Å; H323-D326 VanDerWaalsContact O-CB 3.27Å; H323-D326 WeakPolarHBondContact O-CB 3.47Å; H323-D326 PolarHBondContact O-N 2.83Å; H323-Y361 HydrophobicContact CB-CD2 4.34Å; H323-Y361 HydrophobicContact CB-CE2 4.34Å
324V83.3Confident90.4Very high28 Ų2835.2 Ų35.217%0.1721%0.21CC..THydrogen-bonded Turntrans-62.6129.2172176.20000108.7L258 I310 Y361L258-V324 HydrophobicContact CD1-CB 4.2Å; L258-V324 HydrophobicContact CD1-CG1 4.08Å; I310-V324 HydrophobicContact CD1-CG2 4.38Å; I310-V324 HydrophobicContact CG1-CG2 4.06Å; V324-Y361 WeakPolarHBondContact O-CE2 3.38Å
325G78.3Confident90.5Very high18 Ų1836.5 Ų36.519%0.18622%0.219CC..THydrogen-bonded Turntrans97.6-5.4-17100000114.5I307 H323 A327 V362I307-G325 PolarHBondContact O-N 3.32Å; H323-G325 PolarHBondContact O-N 2.85Å; G325-A327 PolarHBondContact O-N 3.49Å; G325-V362 PolarHBondContact O-N 3.41Å
326D87.3Confident90.5Very high0 Ų036.5 Ų36.50%022%0.219CC..EExtended strand (participates in β ladder)trans-67.9127.7170.1-81.3-27.7000111.1R279 L306 I307 H323 V359 V360 Y361R279-D326 IonicContact CZ-OD1 3.88Å; R279-D326 IonicContact CZ-OD2 3.22Å; R279-D326 IonicContact NH2-OD1 2.59Å; R279-D326 PolarHBondContact NH2-OD1 3.22Å; R279-D326 IonicContact NH2-OD2 2.86Å; R279-D326 PolarHBondContact NH2-OD2 3.37Å; L306-D326 CarbonylContact C-O 3.2Å; L306-D326 WeakPolarHBondContact CA-O 3.49Å; I307-D326 HydrophobicContact CD1-CB 4.03Å; I307-D326 HydrophobicContact CG1-CB 4.36Å; I307-D326 PolarHBondContact N-O 3.38Å; H323-D326 PolarHBondContact N-OD2 3.47Å; H323-D326 IonicContact ND1-OD2 3.76Å; H323-D326 VanDerWaalsContact O-CB 3.27Å; H323-D326 WeakPolarHBondContact O-CB 3.47Å; H323-D326 PolarHBondContact O-N 2.83Å; D326-V359 HydrophobicContact CB-CB 4.09Å; D326-V359 HydrophobicContact CB-CG1 4.42Å; D326-V359 HydrophobicContact CB-CG2 4.46Å; D326-V360 CarbonylContact C-O 3.54Å; D326-V360 WeakPolarHBondContact CA-O 3.44Å; D326-Y361 VanDerWaalsContact OD1-CA 3.27Å; D326-Y361 WeakPolarHBondContact OD1-CA 3.43Å; D326-Y361 WeakPolarHBondContact OD1-CB 3.42Å; D326-Y361 PolarHBondContact OD1-N 3.42Å
327A87.8Confident90.2Very high1 Ų142.9 Ų42.91%0.00824%0.243CC..EExtended strand (participates in β ladder)trans-85.9124165.700000109.7P304 I305 L306 G325 L329 V359 V360 V362P304-A327 HydrophobicContact CB-CB 4.08Å; P304-A327 HydrophobicContact CG-CB 4.04Å; I305-A327 CarbonylContact O-C 3.58Å; I305-A327 WeakPolarHBondContact O-CA 3.36Å; L306-A327 HydrophobicContact CD2-CB 3.74Å; G325-A327 PolarHBondContact O-N 3.49Å; A327-L329 PolarHBondContact O-N 3.47Å; A327-V359 CarbonylContact O-C 3.52Å; A327-V359 VanDerWaalsContact O-CA 3.22Å; A327-V359 WeakPolarHBondContact O-CA 3.34Å; A327-V360 HydrophobicContact CB-CG1 3.85Å; A327-V360 PolarHBondContact N-O 3.26Å; A327-V360 PolarHBondContact O-N 3.38Å; A327-V362 HydrophobicContact CB-CG2 3.82Å
328I94.3Very high90Very high1 Ų144.4 Ų44.41%0.00525%0.251CS..EExtended strand (participates in β ladder)trans-83.3112.9178.9-52.8173.6000108.8I293 I295 I305 I307 L336 L348 F357 V359I293-I328 HydrophobicContact CD1-CD1 4.13Å; I295-I328 HydrophobicContact CG2-CD1 4.17Å; I305-I328 HydrophobicContact CG2-CB 4.41Å; I305-I328 HydrophobicContact CG2-CD1 4.22Å; I305-I328 PolarHBondContact O-N 2.86Å; I307-I328 HydrophobicContact CD1-CD1 4.38Å; I307-I328 HydrophobicContact CD1-CG1 4.37Å; I307-I328 HydrophobicContact CG1-CD1 3.97Å; I307-I328 HydrophobicContact CG1-CG1 4.07Å; I328-L336 HydrophobicContact CG2-CD1 3.57Å; I328-L348 HydrophobicContact CD1-CD1 4.2Å; I328-F357 HydrophobicContact CD1-CD1 4.44Å; I328-F357 HydrophobicContact CD1-CE1 4.19Å; I328-F357 HydrophobicContact CG2-CD1 3.96Å; I328-F357 HydrophobicContact CG2-CE1 4.39Å; I328-V359 HydrophobicContact CG1-CG1 4.32Å
329L93.2Very high89.7Confident20 Ų2038.5 Ų38.511%0.10523%0.23CC..EExtended strand (participates in β ladder)trans-88.7-40.5179.5-55.2-179.6000111.5I278 A327 N335 L336 R337 E358 V360I278-L329 HydrophobicContact CD1-CD1 3.83Å; I278-L329 HydrophobicContact CG1-CD1 3.82Å; I278-L329 HydrophobicContact CG2-CD1 4.14Å; A327-L329 PolarHBondContact O-N 3.47Å; L329-N335 PolarHBondContact O-OD1 3.36Å; L329-L336 PolarHBondContact O-N 3.36Å; L329-R337 HydrophobicContact CB-CG 4.34Å; L329-R337 HydrophobicContact CD2-CG 4.12Å; L329-E358 WeakPolarHBondContact CA-O 3.29Å; L329-E358 HydrophobicContact CB-CB 4.37Å; L329-E358 WeakPolarHBondContact CB-O 3.4Å; L329-E358 PolarHBondContact N-O 3.26Å; L329-V360 HydrophobicContact CD1-CB 4.25Å; L329-V360 HydrophobicContact CD1-CG1 4.18Å; L329-V360 HydrophobicContact CD2-CG1 4.03Å; L329-V360 HydrophobicContact CG-CG1 4.24Å
330A96Very high89.6Confident10 Ų1042.5 Ų42.58%0.08324%0.243CC..EExtended strand (participates in β ladder)trans-154.9158.1177.900000112.2I334 E358A330-I334 CarbonylContact C-O 3.49Å; A330-I334 WeakPolarHBondContact CA-O 3.49Å; A330-I334 VanDerWaalsContact CB-O 3.31Å; A330-I334 WeakPolarHBondContact CB-O 3.42Å; A330-E358 HydrophobicContact CB-CB 4.16Å; A330-E358 PolarHBondContact N-O 2.92Å; A330-E358 PolarHBondContact O-N 2.96Å
331V96.3Very high89.3Confident0 Ų042.7 Ų42.70%023%0.229CC..EExtended strand (participates in β ladder)trans-135.6125.317267.60000110.3S333 I334 L336 I347 L348 Q351 I355 E356 F357V331-S333 PolarHBondContact O-N 2.93Å; V331-S333 VanDerWaalsContact O-N 3.15Å; V331-I334 HydrophobicContact CG1-CB 4.42Å; V331-I334 PolarHBondContact N-O 2.88Å; V331-I334 WeakPolarHBondContact O-CA 3.36Å; V331-I334 VanDerWaalsContact O-CB 3.27Å; V331-I334 WeakPolarHBondContact O-CB 3.41Å; V331-I334 PolarHBondContact O-N 3.46Å; V331-L336 HydrophobicContact CB-CD1 4.12Å; V331-L336 HydrophobicContact CG1-CD1 3.7Å; V331-I347 HydrophobicContact CG1-CG2 3.6Å; V331-L348 HydrophobicContact CB-CD2 4.18Å; V331-L348 HydrophobicContact CG1-CD2 4.07Å; V331-L348 HydrophobicContact CG2-CD2 4.2Å; V331-Q351 HydrophobicContact CG1-CG 4.33Å; V331-Q351 HydrophobicContact CG2-CG 3.87Å; V331-I355 HydrophobicContact CG2-CG2 3.29Å; V331-E356 CarbonylContact C-O 3.5Å; V331-E356 VanDerWaalsContact CA-O 3.32Å; V331-E356 WeakPolarHBondContact CA-O 3.43Å; V331-F357 HydrophobicContact CG2-CD1 4.34Å; V331-F357 HydrophobicContact CG2-CE1 4.12Å; V331-F357 HydrophobicContact CG2-CE2 4.27Å; V331-F357 HydrophobicContact CG2-CZ 4.08Å
332N93Very high89.4Confident55 Ų5550 Ų5029%0.29426%0.256SS..THydrogen-bonded Turntrans46.444.8-176.8-74.4-21.4000112.9I334 Q351 I355 E356N332-I334 PolarHBondContact O-N 3.36Å; N332-Q351 PolarHBondContact ND2-OE1 2.96Å; N332-I355 WeakPolarHBondContact OD1-CA 3.46Å; N332-E356 PolarHBondContact N-O 2.99Å; N332-E356 PolarHBondContact OD1-N 3.24Å
333S88.7Confident89.5Confident118 Ų11854.4 Ų54.483%0.82528%0.276SS*.THydrogen-bonded Turntrans69.23.5-175.2-480000116.6V331V331-S333 PolarHBondContact O-N 2.93Å; V331-S333 VanDerWaalsContact O-N 3.15Å
334I95.2Very high89.8Confident71 Ų7153 Ų5336%0.36427%0.27SS..EExtended strand (participates in β ladder)trans-85.8119172.3-54.5172.2000108.9A330 V331 N332 I347A330-I334 CarbonylContact C-O 3.49Å; A330-I334 WeakPolarHBondContact CA-O 3.49Å; A330-I334 VanDerWaalsContact CB-O 3.31Å; A330-I334 WeakPolarHBondContact CB-O 3.42Å; V331-I334 HydrophobicContact CG1-CB 4.42Å; V331-I334 PolarHBondContact N-O 2.88Å; V331-I334 WeakPolarHBondContact O-CA 3.36Å; V331-I334 VanDerWaalsContact O-CB 3.27Å; V331-I334 WeakPolarHBondContact O-CB 3.41Å; V331-I334 PolarHBondContact O-N 3.46Å; N332-I334 PolarHBondContact O-N 3.36Å; I334-I347 HydrophobicContact CB-CG2 4.25Å; I334-I347 HydrophobicContact CD1-CG2 4.02Å; I334-I347 HydrophobicContact CG2-CD1 4Å; I334-I347 HydrophobicContact CG2-CG1 4.49Å; I334-I347 HydrophobicContact CG2-CG2 3.87Å
335N94.3Very high90.3Very high95 Ų9554.7 Ų54.751%0.50828%0.28SS..EExtended strand (participates in β ladder)trans-74.2130.3-178.9-172.1-20000111.3L329 R337L329-N335 PolarHBondContact O-OD1 3.36Å; N335-R337 VanDerWaalsContact OD1-CB 3.28Å; N335-R337 WeakPolarHBondContact OD1-CB 3.4Å; N335-R337 VanDerWaalsContact OD1-CG 3.3Å; N335-R337 WeakPolarHBondContact OD1-CG 3.28Å; N335-R337 PolarHBondContact OD1-N 3.46Å
336L93.2Very high91Very high1 Ų156.6 Ų56.61%0.00529%0.288CS..  trans-1140.4-179.2-74.6164.4000113.4I328 L329 V331 D338 A339 A344 I347 L348I328-L336 HydrophobicContact CG2-CD1 3.57Å; L329-L336 PolarHBondContact O-N 3.36Å; V331-L336 HydrophobicContact CB-CD1 4.12Å; V331-L336 HydrophobicContact CG1-CD1 3.7Å; L336-D338 VanDerWaalsContact C-N 3.28Å; L336-D338 PolarHBondContact O-N 3.08Å; L336-A339 HydrophobicContact CB-CB 4.48Å; L336-A339 HydrophobicContact CD2-CB 3.8Å; L336-A339 WeakPolarHBondContact O-CB 3.27Å; L336-A339 PolarHBondContact O-N 3.43Å; L336-A344 HydrophobicContact CD2-CB 3.82Å; L336-I347 HydrophobicContact CD2-CB 4.27Å; L336-I347 HydrophobicContact CD2-CD1 3.81Å; L336-I347 HydrophobicContact CD2-CG2 4.24Å; L336-L348 HydrophobicContact CD1-CD2 4.21Å; L336-L348 HydrophobicContact CD1-CG 4.4Å
337R88.6Confident91.4Very high136 Ų13657.7 Ų57.751%0.51329%0.294SS..THydrogen-bonded Turntrans-59.9-36.1-177.1-65.7-179.8-177.71761.7113.5L329 N335L329-R337 HydrophobicContact CB-CG 4.34Å; L329-R337 HydrophobicContact CD2-CG 4.12Å; N335-R337 VanDerWaalsContact OD1-CB 3.28Å; N335-R337 WeakPolarHBondContact OD1-CB 3.4Å; N335-R337 VanDerWaalsContact OD1-CG 3.3Å; N335-R337 WeakPolarHBondContact OD1-CG 3.28Å; N335-R337 PolarHBondContact OD1-N 3.46Å
338D87Confident91.7Very high104 Ų10457.9 Ų57.956%0.55630%0.295SS*.THydrogen-bonded Turntrans-108.99.3-179-81.9-68.1000112.8K299 L336K299-D338 HydrophobicContact CD-CB 4.12Å; K299-D338 WeakPolarHBondContact CD-O 3.48Å; K299-D338 IonicContact NZ-OD1 2.74Å; K299-D338 PolarHBondContact NZ-OD1 3.02Å; L336-D338 VanDerWaalsContact C-N 3.28Å; L336-D338 PolarHBondContact O-N 3.08Å
339A86.5Confident91.6Very high5 Ų560.9 Ų60.94%0.04132%0.316CS..  trans-73.5143.2-17700000111.2K299 L336 E343 A344K299-A339 PolarHBondContact N-O 3.35Å; L336-A339 HydrophobicContact CB-CB 4.48Å; L336-A339 HydrophobicContact CD2-CB 3.8Å; L336-A339 WeakPolarHBondContact O-CB 3.27Å; L336-A339 PolarHBondContact O-N 3.43Å; A339-E343 HydrophobicContact CB-CG 4.5Å; A339-A344 HydrophobicContact CB-CB 4.31Å
340K85.9Confident91.5Very high124 Ų12466 Ų6654%0.53934%0.339SS..  trans-71.8158.7166.7-69.3-177-178.7178.90110.7E300 K342 E343 A344E300-K340 WeakPolarHBondContact OE2-CA 3.31Å; E300-K340 WeakPolarHBondContact OE2-CB 3.23Å; K340-K342 VanDerWaalsContact C-N 3.35Å; K340-K342 PolarHBondContact O-N 2.95Å; K340-E343 HydrophobicContact CB-CB 4.25Å; K340-E343 PolarHBondContact N-OE2 3.04Å; K340-E343 WeakPolarHBondContact O-CB 3.39Å; K340-E343 PolarHBondContact O-N 3.35Å; K340-E343 VanDerWaalsContact O-N 3.11Å; K340-A344 PolarHBondContact O-N 2.78Å
341H81.9Confident91.3Very high58 Ų5866.6 Ų66.627%0.26934%0.34SS..Hα-helixtrans-52.9-52.1179.9-174.775.7000111.9I295 G297 E300 E343 A344 V345I295-H341 PolarHBondContact O-CE1 2.94Å; G297-H341 VanDerWaalsContact O-CB 3.27Å; G297-H341 WeakPolarHBondContact O-CB 3.45Å; G297-H341 PolarHBondContact O-ND1 3.31Å; E300-H341 VanDerWaalsContact OE1-CB 3.26Å; E300-H341 WeakPolarHBondContact OE1-CB 3.39Å; E300-H341 PolarHBondContact OE1-N 3.49Å; E300-H341 PolarHBondContact OE2-N 2.9Å; H341-E343 VanDerWaalsContact C-N 3.29Å; H341-E343 PolarHBondContact O-N 3.38Å; H341-A344 PolarHBondContact O-N 3.37Å; H341-V345 WeakPolarHBondContact O-CG2 3.37Å; H341-V345 PolarHBondContact O-N 3.24Å
342K89.6Confident91Very high168 Ų16872.9 Ų72.973%0.7336%0.364SS*.Hα-helixtrans-62.7-35.9-179.5-171.9177.5-179.5-1800113K340 T346K340-K342 VanDerWaalsContact C-N 3.35Å; K340-K342 PolarHBondContact O-N 2.95Å; K342-T346 PolarHBondContact O-N 2.86Å; K342-T346 VanDerWaalsContact O-N 3.08Å; K342-T346 PolarHBondContact O-OG1 3.32Å
343E92.8Very high90.9Very high100 Ų10071.6 Ų71.647%0.46736%0.364SS..Hα-helixtrans-68.3-45.1177.4-176.9178.4-167.400110.6A339 K340 H341 V345 T346 I347A339-E343 HydrophobicContact CB-CG 4.5Å; K340-E343 HydrophobicContact CB-CB 4.25Å; K340-E343 PolarHBondContact N-OE2 3.04Å; K340-E343 WeakPolarHBondContact O-CB 3.39Å; K340-E343 PolarHBondContact O-N 3.35Å; K340-E343 VanDerWaalsContact O-N 3.11Å; H341-E343 VanDerWaalsContact C-N 3.29Å; H341-E343 PolarHBondContact O-N 3.38Å; E343-V345 PolarHBondContact O-N 3.47Å; E343-T346 WeakPolarHBondContact O-CB 3.49Å; E343-T346 PolarHBondContact O-N 3.45Å; E343-T346 VanDerWaalsContact O-N 3.1Å; E343-I347 HydrophobicContact CG-CD1 3.87Å; E343-I347 WeakPolarHBondContact O-CG1 3.48Å; E343-I347 PolarHBondContact O-N 2.96Å
344A92Very high91.2Very high0 Ų072.5 Ų72.50%036%0.355CS..Hα-helixtrans-59.4-44.1174.800000112.3I295 I305 L336 A339 K340 H341 T346 I347 L348I295-A344 HydrophobicContact CD1-CB 4.28Å; I305-A344 HydrophobicContact CD1-CB 3.45Å; I305-A344 VanDerWaalsContact CD1-CB 3.45Å; I305-A344 HydrophobicContact CG1-CB 3.67Å; I305-A344 HydrophobicContact CG2-CB 4.21Å; L336-A344 HydrophobicContact CD2-CB 3.82Å; A339-A344 HydrophobicContact CB-CB 4.31Å; K340-A344 PolarHBondContact O-N 2.78Å; H341-A344 PolarHBondContact O-N 3.37Å; A344-T346 VanDerWaalsContact C-N 3.28Å; A344-T346 PolarHBondContact O-N 3.39Å; A344-I347 PolarHBondContact O-N 3.46Å; A344-L348 VanDerWaalsContact O-CB 3.3Å; A344-L348 WeakPolarHBondContact O-CB 3.35Å; A344-L348 WeakPolarHBondContact O-CD1 3.04Å; A344-L348 VanDerWaalsContact O-CG 3.24Å; A344-L348 WeakPolarHBondContact O-CG 3.36Å; A344-L348 PolarHBondContact O-N 2.86Å
345V93.7Very high91.2Very high63 Ų6369.1 Ų69.138%0.38234%0.337SS..Hα-helixtrans-58-43.5173.8173.20000110.9I295 H341 E343 S349I295-V345 HydrophobicContact CD1-CG2 3.76Å; I295-V345 HydrophobicContact CG1-CG2 4.29Å; H341-V345 WeakPolarHBondContact O-CG2 3.37Å; H341-V345 PolarHBondContact O-N 3.24Å; E343-V345 PolarHBondContact O-N 3.47Å; V345-S349 VanDerWaalsContact O-CB 3.23Å; V345-S349 WeakPolarHBondContact O-CB 3.38Å; V345-S349 PolarHBondContact O-N 3.17Å; V345-S349 PolarHBondContact O-OG 2.91Å
346T94.6Very high91.3Very high59 Ų5967.8 Ų67.836%0.36233%0.328SS..Hα-helixtrans-65-48.5180-57.30000111K342 E343 A344 L348 S349 Q350K342-T346 PolarHBondContact O-N 2.86Å; K342-T346 VanDerWaalsContact O-N 3.08Å; K342-T346 PolarHBondContact O-OG1 3.32Å; E343-T346 WeakPolarHBondContact O-CB 3.49Å; E343-T346 PolarHBondContact O-N 3.45Å; E343-T346 VanDerWaalsContact O-N 3.1Å; A344-T346 VanDerWaalsContact C-N 3.28Å; A344-T346 PolarHBondContact O-N 3.39Å; T346-L348 PolarHBondContact O-N 3.1Å; T346-S349 PolarHBondContact O-N 3.43Å; T346-S349 PolarHBondContact O-OG 3.1Å; T346-Q350 VanDerWaalsContact O-CG 3.23Å; T346-Q350 WeakPolarHBondContact O-CG 3.47Å; T346-Q350 PolarHBondContact O-N 3.31Å
347I94.8Very high91.5Very high22 Ų2267.7 Ų67.711%0.11333%0.328CS..Hα-helixtrans-61.1-47.6179-68.4165.1000110.9V331 I334 L336 E343 A344 Q350 Q351V331-I347 HydrophobicContact CG1-CG2 3.6Å; I334-I347 HydrophobicContact CB-CG2 4.25Å; I334-I347 HydrophobicContact CD1-CG2 4.02Å; I334-I347 HydrophobicContact CG2-CD1 4Å; I334-I347 HydrophobicContact CG2-CG1 4.49Å; I334-I347 HydrophobicContact CG2-CG2 3.87Å; L336-I347 HydrophobicContact CD2-CB 4.27Å; L336-I347 HydrophobicContact CD2-CD1 3.81Å; L336-I347 HydrophobicContact CD2-CG2 4.24Å; E343-I347 HydrophobicContact CG-CD1 3.87Å; E343-I347 WeakPolarHBondContact O-CG1 3.48Å; E343-I347 PolarHBondContact O-N 2.96Å; A344-I347 PolarHBondContact O-N 3.46Å; I347-Q350 PolarHBondContact O-N 3.05Å; I347-Q351 WeakPolarHBondContact O-CG 3.41Å; I347-Q351 PolarHBondContact O-NE2 3.01Å
348L94.4Very high91.8Very high6 Ų664 Ų643%0.03132%0.316CS..Hα-helixtrans-67.5-39.9-177.7-71.3167.2000112.2L291 I295 I328 V331 L336 A344 T346 Q350 Q351 F357L291-L348 HydrophobicContact CD1-CB 3.91Å; L291-L348 HydrophobicContact CD1-CD2 4.33Å; L291-L348 WeakPolarHBondContact CD1-O 3.01Å; I295-L348 HydrophobicContact CD1-CD1 3.65Å; I295-L348 HydrophobicContact CG2-CD1 4.19Å; I328-L348 HydrophobicContact CD1-CD1 4.2Å; V331-L348 HydrophobicContact CB-CD2 4.18Å; V331-L348 HydrophobicContact CG1-CD2 4.07Å; V331-L348 HydrophobicContact CG2-CD2 4.2Å; L336-L348 HydrophobicContact CD1-CD2 4.21Å; L336-L348 HydrophobicContact CD1-CG 4.4Å; A344-L348 VanDerWaalsContact O-CB 3.3Å; A344-L348 WeakPolarHBondContact O-CB 3.35Å; A344-L348 WeakPolarHBondContact O-CD1 3.04Å; A344-L348 VanDerWaalsContact O-CG 3.24Å; A344-L348 WeakPolarHBondContact O-CG 3.36Å; A344-L348 PolarHBondContact O-N 2.86Å; T346-L348 PolarHBondContact O-N 3.1Å; L348-Q350 VanDerWaalsContact C-N 3.3Å; L348-Q350 PolarHBondContact O-N 3.41Å; L348-Q351 PolarHBondContact O-N 3.4Å; L348-F357 HydrophobicContact CD2-CE1 3.61Å; L348-F357 HydrophobicContact CD2-CZ 4.01Å
349S91.1Very high92.1Very high63 Ų6359 Ų5944%0.44129%0.29SS..Hα-helixtrans-67.1-29.4178.961.60000113.5V345 T346 Q351V345-S349 VanDerWaalsContact O-CB 3.23Å; V345-S349 WeakPolarHBondContact O-CB 3.38Å; V345-S349 PolarHBondContact O-N 3.17Å; V345-S349 PolarHBondContact O-OG 2.91Å; T346-S349 PolarHBondContact O-N 3.43Å; T346-S349 PolarHBondContact O-OG 3.1Å; S349-Q351 VanDerWaalsContact C-N 3.32Å
350Q91.4Very high92.2Very high129 Ų12959.4 Ų59.460%0.60329%0.292SS*.Hα-helixtrans-75.4-16.5178.3-73.1173.85.600113.9T346 I347 L348T346-Q350 VanDerWaalsContact O-CG 3.23Å; T346-Q350 WeakPolarHBondContact O-CG 3.47Å; T346-Q350 PolarHBondContact O-N 3.31Å; I347-Q350 PolarHBondContact O-N 3.05Å; L348-Q350 VanDerWaalsContact C-N 3.3Å; L348-Q350 PolarHBondContact O-N 3.41Å
351Q91.9Very high92.1Very high21 Ų2154.6 Ų54.610%0.09827%0.27CS..  trans-68138.7180-55.3-51.1-52.800111.5K285 V331 N332 I347 L348 S349 I355K285-Q351 PolarHBondContact NZ-O 3.13Å; V331-Q351 HydrophobicContact CG1-CG 4.33Å; V331-Q351 HydrophobicContact CG2-CG 3.87Å; N332-Q351 PolarHBondContact ND2-OE1 2.96Å; I347-Q351 WeakPolarHBondContact O-CG 3.41Å; I347-Q351 PolarHBondContact O-NE2 3.01Å; L348-Q351 PolarHBondContact O-N 3.4Å; S349-Q351 VanDerWaalsContact C-N 3.32Å; Q351-I355 HydrophobicContact CB-CD1 3.44Å; Q351-I355 VanDerWaalsContact CB-CD1 3.44Å; Q351-I355 HydrophobicContact CB-CG1 3.86Å; Q351-I355 HydrophobicContact CB-CG2 4.09Å; Q351-I355 HydrophobicContact CG-CG2 4.22Å
352R90.1Very high91.9Very high133 Ų13354.2 Ų54.250%0.50227%0.272SS..  trans-136.5152.7-177.7-60.8-66.6172.4-156.6-4.3110.5K285 Q354K285-R352 VanDerWaalsContact NZ-NH1 3.2Å; R352-Q354 PolarHBondContact O-N 2.98Å
353G91.4Very high90.8Very high28 Ų2847.1 Ų47.129%0.28924%0.244SC..EExtended strand (participates in β ladder)trans66.7-126.8176.300000112.4K285K285-G353 PolarHBondContact N-O 3.34Å; K285-G353 WeakPolarHBondContact O-CA 3.24Å; K285-G353 PolarHBondContact O-N 3.28Å
354Q93.9Very high89Confident136 Ų13647.1 Ų47.164%0.63625%0.253SS*.EExtended strand (participates in β ladder)trans-82125.8178.7-173177.51.500110.5V282 L284 R352V282-Q354 HydrophobicContact CG1-CG 3.64Å; L284-Q354 HydrophobicContact CD1-CB 4.23Å; R352-Q354 PolarHBondContact O-N 2.98Å
355I95.6Very high87Confident0 Ų055.2 Ų55.20%029%0.291CS..EExtended strand (participates in β ladder)trans-125.6117.3-174.4-51173.1000108.8V282 L283 K285 L291 V331 N332 Q351 F357V282-I355 WeakPolarHBondContact CA-O 3.43Å; L283-I355 HydrophobicContact CD1-CB 4.06Å; L283-I355 HydrophobicContact CD1-CD1 4Å; L283-I355 HydrophobicContact CD1-CG1 4.35Å; L283-I355 HydrophobicContact CG-CB 4.33Å; L283-I355 PolarHBondContact N-O 3.16Å; L283-I355 PolarHBondContact O-N 3.13Å; K285-I355 HydrophobicContact CB-CD1 3.92Å; K285-I355 HydrophobicContact CD-CD1 3.86Å; L291-I355 HydrophobicContact CD2-CD1 3.61Å; V331-I355 HydrophobicContact CG2-CG2 3.29Å; N332-I355 WeakPolarHBondContact OD1-CA 3.46Å; Q351-I355 HydrophobicContact CB-CD1 3.44Å; Q351-I355 VanDerWaalsContact CB-CD1 3.44Å; Q351-I355 HydrophobicContact CB-CG1 3.86Å; Q351-I355 HydrophobicContact CB-CG2 4.09Å; Q351-I355 HydrophobicContact CG-CG2 4.22Å; I355-F357 HydrophobicContact CB-CE2 4.01Å; I355-F357 HydrophobicContact CG2-CD2 3.88Å; I355-F357 HydrophobicContact CG2-CE2 3.33Å; I355-F357 HydrophobicContact CG2-CZ 3.97Å
356E96.8Very high84.8Confident67 Ų6758.2 Ų58.231%0.31331%0.309SS..EExtended strand (participates in β ladder)trans-95118.8174.9-173-175.9171.900110K280 V282 V331 N332K280-E356 WeakPolarHBondContact CD-OE1 3.37Å; K280-E356 IonicContact NZ-OE1 2.88Å; K280-E356 PolarHBondContact NZ-OE1 3.43Å; V282-E356 HydrophobicContact CG2-CB 4.48Å; V282-E356 HydrophobicContact CG2-CG 4.29Å; V331-E356 CarbonylContact C-O 3.5Å; V331-E356 VanDerWaalsContact CA-O 3.32Å; V331-E356 WeakPolarHBondContact CA-O 3.43Å; N332-E356 PolarHBondContact N-O 2.99Å; N332-E356 PolarHBondContact OD1-N 3.24Å
357F96.9Very high82.1Confident0 Ų059.4 Ų59.40%031%0.313CS..EExtended strand (participates in β ladder)trans-100.2136.7173.8-74-100.2000110.3K280 V281 L283 L291 L322 I328 V331 L348 I355 V359K280-F357 CarbonylContact C-O 3.59Å; K280-F357 VanDerWaalsContact CA-O 3.28Å; K280-F357 WeakPolarHBondContact CA-O 3.49Å; V281-F357 HydrophobicContact CB-CB 4.36Å; V281-F357 PolarHBondContact N-O 3.3Å; V281-F357 PolarHBondContact O-N 3Å; L283-F357 HydrophobicContact CD1-CE2 4.35Å; L283-F357 HydrophobicContact CD2-CD2 3.89Å; L283-F357 HydrophobicContact CD2-CE2 3.4Å; L283-F357 HydrophobicContact CD2-CZ 4.19Å; L283-F357 HydrophobicContact CG-CD2 4.17Å; L283-F357 HydrophobicContact CG-CE2 3.77Å; L291-F357 HydrophobicContact CD1-CZ 4.33Å; L291-F357 HydrophobicContact CD2-CE2 4.36Å; L291-F357 HydrophobicContact CD2-CZ 4.11Å; L322-F357 HydrophobicContact CD2-CB 4.32Å; L322-F357 HydrophobicContact CD2-CG 4.37Å; I328-F357 HydrophobicContact CD1-CD1 4.44Å; I328-F357 HydrophobicContact CD1-CE1 4.19Å; I328-F357 HydrophobicContact CG2-CD1 3.96Å; I328-F357 HydrophobicContact CG2-CE1 4.39Å; V331-F357 HydrophobicContact CG2-CD1 4.34Å; V331-F357 HydrophobicContact CG2-CE1 4.12Å; V331-F357 HydrophobicContact CG2-CE2 4.27Å; V331-F357 HydrophobicContact CG2-CZ 4.08Å; L348-F357 HydrophobicContact CD2-CE1 3.61Å; L348-F357 HydrophobicContact CD2-CZ 4.01Å; I355-F357 HydrophobicContact CB-CE2 4.01Å; I355-F357 HydrophobicContact CG2-CD2 3.88Å; I355-F357 HydrophobicContact CG2-CE2 3.33Å; I355-F357 HydrophobicContact CG2-CZ 3.97Å; F357-V359 HydrophobicContact CB-CG1 4.03Å
358E95.8Very high79.5Confident58 Ų5863.8 Ų63.827%0.27135%0.346SS..EExtended strand (participates in β ladder)trans-102.8116159.8-67.4-17317200108.2R279 K280 L329 A330R279-E358 WeakPolarHBondContact O-CA 3.38Å; K280-E358 VanDerWaalsContact CE-OE1 3.25Å; K280-E358 WeakPolarHBondContact CE-OE1 3.34Å; K280-E358 HydrophobicContact CG-CG 4Å; K280-E358 IonicContact NZ-OE1 3.73Å; K280-E358 PolarHBondContact NZ-OE1 3.46Å; L329-E358 WeakPolarHBondContact CA-O 3.29Å; L329-E358 HydrophobicContact CB-CB 4.37Å; L329-E358 WeakPolarHBondContact CB-O 3.4Å; L329-E358 PolarHBondContact N-O 3.26Å; A330-E358 HydrophobicContact CB-CB 4.16Å; A330-E358 PolarHBondContact N-O 2.92Å; A330-E358 PolarHBondContact O-N 2.96Å
359V93.3Very high77.1Confident0 Ų070 Ų700%038%0.379CS..EExtended strand (participates in β ladder)trans-127.4157.5-175.8-60.80000111.7I278 R279 V281 L322 D326 A327 I328 F357I278-V359 CarbonylContact C-O 3.53Å; I278-V359 WeakPolarHBondContact CA-O 3.43Å; R279-V359 HydrophobicContact CB-CG2 4.12Å; R279-V359 PolarHBondContact N-O 3Å; R279-V359 PolarHBondContact O-N 3.17Å; V281-V359 HydrophobicContact CG2-CG2 4.04Å; L322-V359 HydrophobicContact CD2-CG1 3.84Å; L322-V359 HydrophobicContact CD2-CG2 4.42Å; D326-V359 HydrophobicContact CB-CB 4.09Å; D326-V359 HydrophobicContact CB-CG1 4.42Å; D326-V359 HydrophobicContact CB-CG2 4.46Å; A327-V359 CarbonylContact O-C 3.52Å; A327-V359 VanDerWaalsContact O-CA 3.22Å; A327-V359 WeakPolarHBondContact O-CA 3.34Å; I328-V359 HydrophobicContact CG1-CG1 4.32Å; F357-V359 HydrophobicContact CB-CG1 4.03Å
360V88.4Confident74.8Confident13 Ų1371.3 Ų71.38%0.07938%0.381CS..EExtended strand (participates in β ladder)trans-132.4132.6168.466.50000109.5V275 G276 D326 A327 L329 V362V275-V360 HydrophobicContact CG1-CG1 4.34Å; V275-V360 HydrophobicContact CG1-CG2 3.41Å; V275-V360 VanDerWaalsContact CG1-CG2 3.41Å; G276-V360 WeakPolarHBondContact O-CG2 3.11Å; D326-V360 CarbonylContact C-O 3.54Å; D326-V360 WeakPolarHBondContact CA-O 3.44Å; A327-V360 HydrophobicContact CB-CG1 3.85Å; A327-V360 PolarHBondContact N-O 3.26Å; A327-V360 PolarHBondContact O-N 3.38Å; L329-V360 HydrophobicContact CD1-CB 4.25Å; L329-V360 HydrophobicContact CD1-CG1 4.18Å; L329-V360 HydrophobicContact CD2-CG1 4.03Å; L329-V360 HydrophobicContact CG-CG1 4.24Å; V360-V362 HydrophobicContact CG1-CG2 4.46Å; V360-V362 PolarHBondContact O-N 2.81Å
361Y83.7Confident72.5Confident23 Ų2372.4 Ų72.49%0.0939%0.386CS..EExtended strand (participates in β ladder)trans-75.4123.3178.9-173.9-101.9000109.6P261 H264 G276 H323 V324 D326 A363P261-Y361 HydrophobicContact CG-CD2 3.84Å; P261-Y361 HydrophobicContact CG-CE2 4.47Å; P261-Y361 HydrophobicContact CG-CG 4.03Å; H264-Y361 AromaticContact CD2-CD1 3.62Å; H264-Y361 AromaticContact CD2-CG 3.9Å; H264-Y361 WeakPolarHBondContact NE2-CB 3.49Å; G276-Y361 PolarHBondContact N-O 2.95Å; H323-Y361 HydrophobicContact CB-CD2 4.34Å; H323-Y361 HydrophobicContact CB-CE2 4.34Å; V324-Y361 WeakPolarHBondContact O-CE2 3.38Å; D326-Y361 VanDerWaalsContact OD1-CA 3.27Å; D326-Y361 WeakPolarHBondContact OD1-CA 3.43Å; D326-Y361 WeakPolarHBondContact OD1-CB 3.42Å; D326-Y361 PolarHBondContact OD1-N 3.42Å; Y361-A363 HydrophobicContact CE1-CB 4.12Å
362V78.5Confident70.3Confident49 Ų4974 Ų7430%0.29740%0.395SS..EExtended strand (participates in β ladder)trans-105.9105.4174.5-174.40000107.2L306 G325 A327 V360L306-V362 HydrophobicContact CD2-CB 4.3Å; L306-V362 HydrophobicContact CD2-CG2 4.2Å; G325-V362 PolarHBondContact O-N 3.41Å; A327-V362 HydrophobicContact CB-CG2 3.82Å; V360-V362 HydrophobicContact CG1-CG2 4.46Å; V360-V362 PolarHBondContact O-N 2.81Å
363A65.3Low68.1Low19 Ų1970.8 Ų70.816%0.15739%0.39CS..  trans-62.1136.9174.700000109.2L269 G274 Y361 E365L269-A363 HydrophobicContact CD1-CB 3.98Å; L269-A363 HydrophobicContact CD2-CB 4.01Å; L269-A363 HydrophobicContact CG-CB 4.45Å; G274-A363 WeakPolarHBondContact O-CB 3.4Å; G274-A363 PolarHBondContact O-N 3.45Å; Y361-A363 HydrophobicContact CE1-CB 4.12Å; A363-E365 PolarHBondContact O-N 2.92Å
364P56.4Low65.8Low100 Ų10073.3 Ų73.365%0.64940%0.395SS*.  trans-55.5133.9166.4-15.727.9000108.2V366P364-V366 PolarHBondContact O-N 3.25Å
365E49.4Very low63.5Low170 Ų17073.3 Ų73.379%0.79439%0.39SS*.  trans-60.4108.8167.8-65.4-165.4-169.400107.1A363 D367A363-E365 PolarHBondContact O-N 2.92Å; E365-D367 VanDerWaalsContact C-N 3.26Å; E365-D367 PolarHBondContact O-N 2.95Å; E365-D367 VanDerWaalsContact O-N 3.1Å
366V47.1Very low60.9Low126 Ų12678.7 Ų78.776%0.76442%0.415SS*.  trans-70.995.5160.5-98.90000104.6P364 S368P364-V366 PolarHBondContact O-N 3.25Å; V366-S368 PolarHBondContact O-N 3.26Å
367D38.4Very low58.8Low85 Ų8578.3 Ų78.346%0.45542%0.415SS..  trans-51127.1165.9-72.6-37.5000106.8R246 E365 D369 D370R246-D367 IonicContact NH1-OD2 3.99Å; E365-D367 VanDerWaalsContact C-N 3.26Å; E365-D367 PolarHBondContact O-N 2.95Å; E365-D367 VanDerWaalsContact O-N 3.1Å; D367-D369 PolarHBondContact O-N 2.95Å; D367-D370 PolarHBondContact O-N 3.3Å; D367-D370 VanDerWaalsContact O-N 3.14Å
368S39.5Very low56.3Low113 Ų11388.5 Ų88.579%0.7946%0.463SS*.THydrogen-bonded Turntrans-59.8-6.417856.70000113.7V366V366-S368 PolarHBondContact O-N 3.26Å
369D43.6Very low54Low137 Ų13789.6 Ų89.673%0.73348%0.476SS*.THydrogen-bonded Turntrans-102.95.8-174.8-59.10.9000112D367 E371D367-D369 PolarHBondContact O-N 2.95Å; D369-E371 PolarHBondContact O-N 3.36Å
370D43.3Very low51.8Low90 Ų9092 Ų9248%0.48150%0.501SS..  trans-7062.1163.7-95.9-9.4000109.8R246 D367 N372R246-D370 IonicContact NH2-OD1 3.33Å; R246-D370 PolarHBondContact NH2-OD1 3.35Å; R246-D370 IonicContact NH2-OD2 2.85Å; R246-D370 PolarHBondContact NH2-OD2 3.16Å; D367-D370 PolarHBondContact O-N 3.3Å; D367-D370 VanDerWaalsContact O-N 3.14Å; D370-N372 PolarHBondContact O-N 3.45Å
371E43.4Very low49.6Very low153 Ų15396.7 Ų96.772%0.71552%0.522SS*.  trans-71.354.8154.6-71.8-164.5171.500109.3D369 V373D369-E371 PolarHBondContact O-N 3.36Å; E371-V373 PolarHBondContact O-N 3.33Å
372N45.5Very low47.6Very low54 Ų5499.9 Ų99.929%0.28954%0.538SS..  trans-80.570.7168.6-151.360.1000107.4D370 E374 R384D370-N372 PolarHBondContact O-N 3.45Å; N372-E374 VanDerWaalsContact C-N 3.33Å; N372-E374 PolarHBondContact ND2-OE1 3.48Å; N372-E374 PolarHBondContact O-N 3.13Å; N372-R384 PolarHBondContact ND2-NH2 3.18Å; N372-R384 VanDerWaalsContact ND2-NH2 3.14Å; N372-R384 PolarHBondContact OD1-NE 3.02Å; N372-R384 PolarHBondContact OD1-NH2 3.3Å
373V43.9Very low46Very low65 Ų65104.4 Ų104.439%0.39455%0.551SS.*  trans-71.993.1175.6-170.50000107.6E371 Y375E371-V373 PolarHBondContact O-N 3.33Å; V373-Y375 HydrophobicContact CB-CE2 4Å; V373-Y375 HydrophobicContact CG1-CD2 3.93Å; V373-Y375 HydrophobicContact CG1-CE1 4.32Å; V373-Y375 HydrophobicContact CG1-CE2 3.34Å
374E43.7Very low45.1Very low81 Ų81111.1 Ų111.138%0.37957%0.572SS.*EExtended strand (participates in β ladder)trans-74.7117.4168.5-71176.1-177.900108.1N372 Q382N372-E374 VanDerWaalsContact C-N 3.33Å; N372-E374 PolarHBondContact ND2-OE1 3.48Å; N372-E374 PolarHBondContact O-N 3.13Å; E374-Q382 PolarHBondContact OE2-NE2 2.68Å
375Y46Very low44.3Very low137 Ų137111.4 Ų111.454%0.53757%0.568SS.*EExtended strand (participates in β ladder)trans-92.6118.5168.8-70-91.6000108V373 Q382 Y383 L385V373-Y375 HydrophobicContact CB-CE2 4Å; V373-Y375 HydrophobicContact CG1-CD2 3.93Å; V373-Y375 HydrophobicContact CG1-CE1 4.32Å; V373-Y375 HydrophobicContact CG1-CE2 3.34Å; Y375-Q382 WeakPolarHBondContact O-CA 3.35Å; Y375-Y383 PolarHBondContact N-O 3.36Å; Y375-Y383 PolarHBondContact O-N 2.86Å; Y375-L385 HydrophobicContact CD2-CD1 3.68Å; Y375-L385 HydrophobicContact CE2-CD1 3.43Å; Y375-L385 VanDerWaalsContact CE2-CD1 3.43Å
376E41Very low44Very low112 Ų112112 Ų11252%0.52356%0.564SS.*EExtended strand (participates in β ladder)trans-86.1124.4163.6-80.7-175.9165.400108.2H381 Q382E376-H381 WeakPolarHBondContact CA-O 3.48Å; E376-Q382 HydrophobicContact CG-CG 3.4Å
377D50.9Low43.7Very low59 Ų59112.9 Ų112.932%0.31656%0.564SS.*PPolyproline II helixtrans-76.9169.7167.473.812.1000111.7S379 G380 H381D377-S379 PolarHBondContact O-N 3.42Å; D377-S379 VanDerWaalsContact OD1-C 3.31Å; D377-S379 VanDerWaalsContact OD1-CA 3.3Å; D377-S379 WeakPolarHBondContact OD1-CA 3.45Å; D377-S379 WeakPolarHBondContact OD1-CB 3.02Å; D377-S379 PolarHBondContact OD1-N 3.28Å; D377-S379 PolarHBondContact OD1-OG 2.91Å; D377-S379 PolarHBondContact OD2-OG 3.33Å; D377-S379 VanDerWaalsContact OD2-OG 3.08Å; D377-G380 PolarHBondContact O-N 3.1Å; D377-G380 PolarHBondContact OD1-N 2.86Å; D377-H381 PolarHBondContact N-O 2.74Å; D377-H381 VanDerWaalsContact N-O 3.08Å; D377-H381 PolarHBondContact OD1-N 2.88Å; D377-H381 IonicContact OD1-ND1 3.13Å
378E45.4Very low43.8Very low215 Ų215116.4 Ų116.4100%1.00558%0.582SS**THydrogen-bonded Turntrans-62.2-6.7179-69.9-173.5155.800113.9
379S48Very low44.2Very low80 Ų80119.4 Ų119.456%0.55958%0.584SS**THydrogen-bonded Turntrans-103.20.4175.774.60000113.9D377 H381D377-S379 PolarHBondContact O-N 3.42Å; D377-S379 VanDerWaalsContact OD1-C 3.31Å; D377-S379 VanDerWaalsContact OD1-CA 3.3Å; D377-S379 WeakPolarHBondContact OD1-CA 3.45Å; D377-S379 WeakPolarHBondContact OD1-CB 3.02Å; D377-S379 PolarHBondContact OD1-N 3.28Å; D377-S379 PolarHBondContact OD1-OG 2.91Å; D377-S379 PolarHBondContact OD2-OG 3.33Å; D377-S379 VanDerWaalsContact OD2-OG 3.08Å; S379-H381 PolarHBondContact OG-ND1 3.12Å
380G45.7Very low44.1Very low51 Ų51121.2 Ų121.253%0.52659%0.593SS.*  trans82.816.8177.800000114.7D377D377-G380 PolarHBondContact O-N 3.1Å; D377-G380 PolarHBondContact OD1-N 2.86Å
381H43.5Very low43.7Very low111 Ų111125.9 Ų125.951%0.51461%0.612SS.*  trans-85.9126.3174-67.381.8000110.2E376 D377 S379 Y383E376-H381 WeakPolarHBondContact CA-O 3.48Å; D377-H381 PolarHBondContact N-O 2.74Å; D377-H381 VanDerWaalsContact N-O 3.08Å; D377-H381 PolarHBondContact OD1-N 2.88Å; D377-H381 IonicContact OD1-ND1 3.13Å; S379-H381 PolarHBondContact OG-ND1 3.12Å; H381-Y383 HydrophobicContact CB-CE2 3.93Å
382Q42Very low43.2Very low91 Ų91126.5 Ų126.543%0.42562%0.62SS.*EExtended strand (participates in β ladder)trans-94.6126.2177.6-78.3-176.7-48.800111.1E374 Y375 E376E374-Q382 PolarHBondContact OE2-NE2 2.68Å; Y375-Q382 WeakPolarHBondContact O-CA 3.35Å; E376-Q382 HydrophobicContact CG-CG 3.4Å
383Y44.2Very low42.5Very low144 Ų144129.2 Ų129.257%0.56564%0.643SS**EExtended strand (participates in β ladder)trans-109.7142.3175.2-62.3-88.9000111.4Y375 H381Y375-Y383 PolarHBondContact N-O 3.36Å; Y375-Y383 PolarHBondContact O-N 2.86Å; H381-Y383 HydrophobicContact CB-CE2 3.93Å
384R45.4Very low41.9Very low160 Ų160131.9 Ų131.960%0.60467%0.665SS**EExtended strand (participates in β ladder)trans-100.6123.8169.4-160.1179-151.2121.62.7108.3N372 Y386N372-R384 PolarHBondContact ND2-NH2 3.18Å; N372-R384 VanDerWaalsContact ND2-NH2 3.14Å; N372-R384 PolarHBondContact OD1-NE 3.02Å; N372-R384 PolarHBondContact OD1-NH2 3.3Å; R384-Y386 PolarHBondContact O-N 3.23Å
385L40.8Very low41.4Very low106 Ų106134.4 Ų134.456%0.55569%0.686SS**SBendtrans-56.2-8.5-167.4-143.273.6000117.1Y375Y375-L385 HydrophobicContact CD2-CD1 3.68Å; Y375-L385 HydrophobicContact CE2-CD1 3.43Å; Y375-L385 VanDerWaalsContact CE2-CD1 3.43Å
386Y41.8Very low40.6Very low181 Ų181134.9 Ų134.971%0.7170%0.703SS**SBendtrans-106.936.9-174.8-61.1-71.5000113.9R384R384-Y386 PolarHBondContact O-N 3.23Å
387L41.3Very low40.2Very low146 Ų146134 Ų13476%0.76472%0.715SS**  trans-151.863.1167.2-135.285.6000109.9
388D41.8Very low39.4Very low158 Ų158137 Ų13785%0.84574%0.738SS**  trans-93.8145.7157.7-147.92.5000107.8
389E46.3Very low39Very low177 Ų177133.1 Ų133.183%0.82773%0.731SS**  trans87.864.3-169.2-52.8-175.3178.500116.5
390L41.5Very low38Very low174 Ų174133 Ų13391%0.91174%0.743SS**  trans-149.461.6135.1-78.4-172.2000110.9
391E35.3Very low37.1Very low189 Ų189138 Ų13888%0.88376%0.758SS**  trans-129.1109.7150.6-82.8-166.7166.700109.5
392D33.5Very low36.4Very low165 Ų165137.8 Ų137.888%0.88277%0.768SS**  trans-159.1144134-119.1-21.7000112.8
393S30.9Very low35.6Very low111 Ų111138.8 Ų138.878%0.77679%0.785SS**  trans84.384.4177.276.50000119
394S31Very low34.8Very low122 Ų122136.1 Ų136.185%0.85379%0.793SS**  -169.9116.4104.439.80000112.4
395T33.6Very low33.8Very low134 Ų134134.2 Ų134.282%0.82281%0.805SS**  trans-58.4140.1174.545.50000114.3
396T29.5Very low33.1Very low146 Ų146136.6 Ų136.690%0.89682%0.817SS**  trans-144.5107.7133.240.10000110
397A32.5Very low32.4Very low95 Ų95136.4 Ų136.479%0.78582%0.823SS**PPolyproline II helixtrans-86.5151.7170.900000111.2
398P33.4Very low31.6Very low121 Ų121133.5 Ų133.579%0.78682%0.82SS**PPolyproline II helixtrans-86.8162167.834.4-30.4000112.2
399P37.4Very low30.9Very low134 Ų134133.3 Ų133.387%0.8782%0.818SS**PPolyproline II helixtrans-91.8145.8-173.435.7-31.1000112.6
400G26.3Very low29.9Very low78 Ų78132.5 Ų132.580%0.80481%0.814SS**  trans-174.282.2176.400000115.2
401N28Very low29.3Very low156 Ų156131.9 Ų131.983%0.83480%0.804SS**  trans24.3121.2149.2-79.1-7.7000122.4
402S27Very low29Very low105 Ų105130.3 Ų130.373%0.73480%0.798SS**  86.2124.7124.269.30000121.7
403S26.3Very low28.7Very low112 Ų112127.3 Ų127.378%0.78379%0.786SS**  trans9099.6146.373.80000119.2
404A26.3Very low28.7Very low89 Ų89129 Ų12974%0.73679%0.786SS**  51.3113.5121.600000118.3
405S26.3Very low28.5Very low120 Ų120128.7 Ų128.784%0.83977%0.774SS**  165.9140.892.1-70.60000111.6
406L25.9Very low28.3Very low155 Ų155129 Ų12981%0.81277%0.771SS**  trans-62.6158.3166.7-78.2164000112.4
407Q25.6Very low28.1Very low178 Ų178125.3 Ų125.383%0.83276%0.763SS**  trans94.1122.2145.7-80.6165.99.100120.9
408A25.1Very low28.5Very low85 Ų85126 Ų12670%0.70276%0.759SS**  89.4112.5127.900000119.2
409L27.5Very low28.4Very low153 Ų153128 Ų12880%0.80176%0.758SS**  177.3107.4112.1-113.780.1000105.9
410E26.1Very low28Very low160 Ų160128.2 Ų128.275%0.74875%0.752SS**  65.2133.767-146.9-168.6-137.500114.3
411K28.7Very low28.2Very low161 Ų161127.9 Ų127.970%0.775%0.748SS**  trans97.4126.2165.8-67.3177.1-176.1-177.90115
412M28.3Very low28.2Very low156 Ų156127.8 Ų127.877%0.76875%0.748SS**  cis-164.8156.619.7-105.9174.1-16000104.9
413T27.7Very low28.9Very low103 Ų103128 Ų12863%0.63275%0.747SS**  cis-173.9137.516.79.30000106.5
414L29.7Very low29Very low146 Ų146126.4 Ų126.476%0.76475%0.748SS**  45.5135.9127-54.2170000118.3
415N27.3Very low29.2Very low115 Ų115129.9 Ų129.962%0.61575%0.753SS**  cis-175.7151.329.7-129.21.9000110.9
416N29Very low29.8Very low140 Ų140129.3 Ų129.375%0.74975%0.746SS**  trans58113.3148.9-55.8-15.1000118.3
417G26.6Very low29.9Very low70 Ų70126.6 Ų126.672%0.72274%0.74SS**  cis80.7148.836.600000111.8
418P40.6Very low30Very low110 Ų110126 Ų12671%0.71474%0.737SS**  cis-145.9-169.7-20.643.3-23.9000114.2
419E30.6Very low30.2Very low161 Ų161130.8 Ų130.875%0.75274%0.742SS**  trans73142.3152.2-71.7-175.713200118.6
420N30.3Very low30.3Very low140 Ų140131.1 Ų131.175%0.74974%0.744SS**  cis-169.2161.42.4-123.3-28.1000107.3
421G28.7Very low31.1Very low71 Ų71129 Ų12973%0.73275%0.745SS**  trans100.382.1140.200000119.2
422N27.9Very low31.3Very low153 Ų153130 Ų13082%0.81875%0.752SS**  trans-52.4-177.1147.4-145.518000111.9
423P43.3Very low31.4Very low110 Ų110131.6 Ų131.671%0.71476%0.757SS**  cis-122.3173.2-48.221.6-0.4000111.5
424G27Very low31.8Very low78 Ų78132.8 Ų132.880%0.80477%0.765SS**  trans17171.9165.300000117.9
425I30.9Very low32.5Very low163 Ų163131.5 Ų131.584%0.83677%0.765SS**  trans-65.7146.5151.7-64.8173.3000106.3
426P39.7Very low32.7Very low108 Ų108131 Ų13170%0.70177%0.771SS**  -150.2162.352.223.93.7000120.3
427S26.9Very low33.2Very low97 Ų97133.9 Ų133.968%0.67878%0.777SS**  trans85.3115.9132.9-75.20000121.9
428Q28.1Very low34Very low165 Ų165136.5 Ų136.577%0.77178%0.781SS**  67110123.1-70.3-171.2-4.800118.8
429K29.6Very low33.8Very low187 Ų187135.7 Ų135.781%0.81378%0.777SS**  170.612398.7-101.9165.1-177.11790110.6
430N30Very low34.1Very low159 Ų159134.6 Ų134.685%0.8578%0.777SS**  trans-63.3149.9145.5-96.8-4.4000108.2
431P43.3Very low34.4Very low116 Ų116133.9 Ų133.975%0.75378%0.778SS**  -140.8156.792.926.6-6.3000115.5
432Q31.8Very low34.9Very low181 Ų181137 Ų13785%0.84678%0.778SS**  trans-14.4140.3156-70.1166.1-47.600117
433E30.5Very low35.5Very low191 Ų191141.1 Ų141.189%0.89378%0.783SS**  -170.2117119.7-105.6173-179.500111.3
434T36.4Very low36Very low128 Ų128140.7 Ų140.779%0.78578%0.783SS**  trans-68.4153.2147.349.70000108.4
435P43.8Very low37.1Very low118 Ų118146.4 Ų146.477%0.76681%0.811SS**  -142.9-172.758.335.7-12.1000110.6
436S32.6Very low37.4Very low105 Ų105145.6 Ų145.673%0.73481%0.809SS**  cis-178.5148.636.211.90000107.1
437K39.5Very low37.3Very low201 Ų201147.6 Ų147.687%0.87482%0.815SS**  trans-60.2164.4160.8-82.8177.3170.4179.70111.4
438P43Very low37.8Very low125 Ų125150.4 Ų150.481%0.81282%0.823SS**  -124.8154.2123.234.5-26.1000112.7
439S36.8Very low38.4Very low92 Ų92149.5 Ų149.564%0.64383%0.826SS**  trans-92.2178.9170.555.60000111.1
440D35.5Very low39Very low139 Ų139147.2 Ų147.274%0.74383%0.827SS**  trans93.8134.5163.9-50.9-7.6000112.9
441T37.3Very low39.6Very low125 Ų125146.4 Ų146.477%0.76783%0.825SS**  cis-16316315.3-6.80000110.1
442D38.9Very low39.3Very low136 Ų136148.6 Ų148.673%0.72783%0.83SS**  trans-38.3151.3169.2-64-59000117.1
443Y41.6Very low39.9Very low240 Ų240146.1 Ų146.194%0.94183%0.829SS**  -153.2123.7127.1-114.5-80.6000110.7
444S53.3Low40.7Very low100 Ų100142.3 Ų142.370%0.69982%0.824SS**  trans-75.4146.3171.4-480000112.1
445S49.3Very low41Very low199 Ų199143.6 Ų143.6100%1.39283%0.827SS**  -163.90125.9-75.30000109.5

Retrieved 445 of 445 residues in 76.2 ms (Link to these results)